| 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 | 49.7 | Very low | 71.5 | Confident | 197 Ų | 197 | 101.1 Ų | 101.1 | 97% | 0.97 | 54% | 0.54 | S | S | * | . | 0 | 132.4 | 0 | -93.9 | -157.2 | -78.8 | 0 | 0 | 107.7 | |||||
| 2 | D | 54.8 | Low | 72.4 | Confident | 116 Ų | 116 | 97.2 Ų | 97.2 | 62% | 0.62 | 52% | 0.522 | S | S | * | . | trans | -93.9 | 164.3 | -146.2 | -62.3 | -33 | 0 | 0 | 0 | 115.2 | Q4 C5 | D2-Q4 PolarHBondContact O-N 3.47Å; D2-C5 PolarHBondContact O-N 2.69Å | ||
| 3 | S | 61.9 | Low | 73.2 | Confident | 102 Ų | 102 | 90.5 Ų | 90.5 | 71% | 0.713 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -46.6 | -20.8 | 173.9 | 53.7 | 0 | 0 | 0 | 0 | 115.2 | V6 S7 | S3-V6 PolarHBondContact O-N 2.88Å; S3-S7 PolarHBondContact O-N 3.4Å |
| 4 | Q | 67.4 | Low | 73.7 | Confident | 141 Ų | 141 | 86.4 Ų | 86.4 | 66% | 0.659 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.4 | -36.2 | 174 | -64.9 | -177.9 | -0.2 | 0 | 0 | 112.9 | D2 S7 | D2-Q4 PolarHBondContact O-N 3.47Å; Q4-S7 PolarHBondContact O-N 3.23Å; Q4-S7 PolarHBondContact O-OG 3.39Å |
| 5 | C | 70.4 | Confident | 74.2 | Confident | 55 Ų | 55 | 85.6 Ų | 85.6 | 37% | 0.372 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | 178.4 | -67.2 | 0 | 0 | 0 | 0 | 112.1 | D2 S7 I8 L9 W35 | D2-C5 PolarHBondContact O-N 2.69Å; C5-S7 VanDerWaalsContact C-N 3.28Å; C5-S7 PolarHBondContact O-N 3.32Å; C5-I8 PolarHBondContact O-N 3.27Å; C5-L9 PolarHBondContact O-N 2.93Å; C5-W35 HydrophobicContact CB-CH2 4.43Å; C5-W35 HydrophobicContact CB-CZ2 4.01Å |
| 6 | V | 73.8 | Confident | 74.6 | Confident | 54 Ų | 54 | 81.1 Ų | 81.1 | 33% | 0.327 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 177.4 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | S3 I8 L9 W35 A49 | S3-V6 PolarHBondContact O-N 2.88Å; V6-I8 PolarHBondContact O-N 3.29Å; V6-L9 WeakPolarHBondContact O-CB 3.47Å; V6-L9 PolarHBondContact O-N 3.27Å; V6-W35 HydrophobicContact CG2-CH2 4.33Å; V6-W35 HydrophobicContact CG2-CZ2 4.18Å; V6-A49 WeakPolarHBondContact CG1-O 3.37Å |
| 7 | S | 78 | Confident | 74.7 | Confident | 84 Ų | 84 | 78.9 Ų | 78.9 | 59% | 0.587 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.7 | -24.5 | 179.6 | 77.1 | 0 | 0 | 0 | 0 | 114.2 | S3 Q4 C5 | S3-S7 PolarHBondContact O-N 3.4Å; Q4-S7 PolarHBondContact O-N 3.23Å; Q4-S7 PolarHBondContact O-OG 3.39Å; C5-S7 VanDerWaalsContact C-N 3.28Å; C5-S7 PolarHBondContact O-N 3.32Å |
| 8 | I | 82.6 | Confident | 74.6 | Confident | 88 Ų | 88 | 80.4 Ų | 80.4 | 45% | 0.451 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -93.3 | -17.5 | -178.6 | -56.8 | 168.8 | 0 | 0 | 0 | 111.1 | C5 V6 P10 R11 V12 | C5-I8 PolarHBondContact O-N 3.27Å; V6-I8 PolarHBondContact O-N 3.29Å; I8-P10 VanDerWaalsContact C-CD 3.5Å; I8-R11 WeakPolarHBondContact O-CA 3.1Å; I8-R11 WeakPolarHBondContact O-CB 3.38Å; I8-R11 PolarHBondContact O-N 3.2Å; I8-V12 HydrophobicContact CG2-CG2 4.21Å; I8-V12 PolarHBondContact O-N 3.49Å |
| 9 | L | 84.8 | Confident | 73.5 | Confident | 4 Ų | 4 | 78.9 Ų | 78.9 | 2% | 0.021 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -52.2 | -42.7 | -175.2 | -180 | 61.5 | 0 | 0 | 0 | 114.6 | C5 V6 R11 V12 C13 W35 F36 C50 L53 | C5-L9 PolarHBondContact O-N 2.93Å; V6-L9 WeakPolarHBondContact O-CB 3.47Å; V6-L9 PolarHBondContact O-N 3.27Å; L9-R11 PolarHBondContact O-N 3Å; L9-V12 WeakPolarHBondContact O-CB 3.36Å; L9-V12 PolarHBondContact O-N 3.05Å; L9-C13 PolarHBondContact O-N 3.22Å; L9-W35 HydrophobicContact CD1-CZ3 4.3Å; L9-W35 HydrophobicContact CD2-CZ3 4.42Å; L9-F36 HydrophobicContact CD1-CE1 4.2Å; L9-F36 HydrophobicContact CD1-CZ 3.79Å; L9-F36 HydrophobicContact CD2-CE1 3.92Å; L9-F36 HydrophobicContact CD2-CZ 4.23Å; L9-C50 HydrophobicContact CD2-CB 3.6Å; L9-C50 WeakPolarHBondContact CD2-SG 3.29Å; L9-L53 HydrophobicContact CD2-CD2 4.19Å; L9-L53 HydrophobicContact CD2-CG 4.43Å |
| 10 | P | 83.7 | Confident | 72.6 | Confident | 72 Ų | 72 | 79.3 Ų | 79.3 | 47% | 0.468 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.9 | -33.5 | 176 | -25.4 | 35.1 | 0 | 0 | 0 | 113.5 | I8 G14 C52 | I8-P10 VanDerWaalsContact C-CD 3.5Å; P10-G14 PolarHBondContact O-N 3.21Å; P10-C52 HydrophobicContact CB-CB 4.5Å; P10-C52 HydrophobicContact CG-CB 4.28Å |
| 11 | R | 79.6 | Confident | 71.5 | Confident | 199 Ų | 199 | 78.9 Ų | 78.9 | 75% | 0.751 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -71.7 | -39.3 | 175.4 | -62.7 | -178.8 | 178.2 | -177.4 | -0.3 | 111.2 | I8 L9 G14 V15 | I8-R11 WeakPolarHBondContact O-CA 3.1Å; I8-R11 WeakPolarHBondContact O-CB 3.38Å; I8-R11 PolarHBondContact O-N 3.2Å; L9-R11 PolarHBondContact O-N 3Å; R11-G14 PolarHBondContact O-N 2.86Å; R11-V15 WeakPolarHBondContact O-CG2 3.1Å; R11-V15 PolarHBondContact O-N 3.35Å |
| 12 | V | 82.7 | Confident | 71.6 | Confident | 54 Ų | 54 | 75.5 Ų | 75.5 | 33% | 0.327 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61 | -48.5 | 174.4 | 180 | 0 | 0 | 0 | 0 | 110.3 | I8 L9 G14 V15 L16 | I8-V12 HydrophobicContact CG2-CG2 4.21Å; I8-V12 PolarHBondContact O-N 3.49Å; L9-V12 WeakPolarHBondContact O-CB 3.36Å; L9-V12 PolarHBondContact O-N 3.05Å; V12-G14 VanDerWaalsContact C-N 3.28Å; V12-G14 PolarHBondContact O-N 3.06Å; V12-V15 PolarHBondContact O-N 3.32Å; V12-V15 VanDerWaalsContact O-N 3.13Å; V12-L16 HydrophobicContact CG1-CD1 4.31Å; V12-L16 WeakPolarHBondContact O-CG 3.5Å; V12-L16 PolarHBondContact O-N 3.27Å |
| 13 | C | 82.2 | Confident | 71.7 | Confident | 10 Ų | 10 | 74.4 Ų | 74.4 | 7% | 0.068 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -58 | -40.3 | 173.7 | -69 | 0 | 0 | 0 | 0 | 112 | L9 L16 L17 F56 | L9-C13 PolarHBondContact O-N 3.22Å; C13-L16 PolarHBondContact O-N 2.98Å; C13-L17 VanDerWaalsContact O-CG 3.28Å; C13-L17 WeakPolarHBondContact O-CG 3.3Å; C13-L17 PolarHBondContact O-N 3.21Å; C13-L17 VanDerWaalsContact O-N 3.11Å; C13-F56 HydrophobicContact CB-CB 4.15Å; C13-F56 HydrophobicContact CB-CD2 3.67Å; C13-F56 HydrophobicContact CB-CE2 4.42Å; C13-F56 HydrophobicContact CB-CG 4.08Å |
| 14 | G | 81 | Confident | 71.4 | Confident | 33 Ų | 33 | 71.7 Ų | 71.7 | 34% | 0.34 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P10 R11 V12 L17 | P10-G14 PolarHBondContact O-N 3.21Å; R11-G14 PolarHBondContact O-N 2.86Å; V12-G14 VanDerWaalsContact C-N 3.28Å; V12-G14 PolarHBondContact O-N 3.06Å; G14-L17 PolarHBondContact O-N 3.44Å |
| 15 | V | 80 | Confident | 71.4 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 175.9 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | R11 V12 L17 V18 L23 | R11-V15 WeakPolarHBondContact O-CG2 3.1Å; R11-V15 PolarHBondContact O-N 3.35Å; V12-V15 PolarHBondContact O-N 3.32Å; V12-V15 VanDerWaalsContact O-N 3.13Å; V15-L17 PolarHBondContact O-N 3.32Å; V15-V18 PolarHBondContact O-N 3.45Å; V15-L23 HydrophobicContact CG1-CD1 3.58Å; V15-L23 HydrophobicContact CG1-CD2 4.17Å |
| 16 | L | 80.8 | Confident | 71.4 | Confident | 13 Ų | 13 | 71 Ų | 71 | 7% | 0.068 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.1 | -23 | 178 | -66.9 | 176.1 | 0 | 0 | 0 | 113.2 | V12 C13 L29 L32 F56 F73 | V12-L16 HydrophobicContact CG1-CD1 4.31Å; V12-L16 WeakPolarHBondContact O-CG 3.5Å; V12-L16 PolarHBondContact O-N 3.27Å; C13-L16 PolarHBondContact O-N 2.98Å; L16-L29 HydrophobicContact CD1-CD2 4.47Å; L16-L29 HydrophobicContact CD2-CD2 3.96Å; L16-L32 HydrophobicContact CD1-CD2 4.47Å; L16-F56 HydrophobicContact CB-CE2 3.75Å; L16-F56 HydrophobicContact CB-CZ 4.1Å; L16-F56 HydrophobicContact CD1-CE2 4.39Å; L16-F56 HydrophobicContact CD1-CZ 4.18Å; L16-F73 HydrophobicContact CD1-CE1 4.23Å |
| 17 | L | 77.4 | Confident | 71.5 | Confident | 44 Ų | 44 | 72 Ų | 72 | 23% | 0.23 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -82.5 | -18.2 | 178.1 | -76.8 | 166.8 | 0 | 0 | 0 | 114.3 | C13 G14 V15 S19 F56 K59 V60 | C13-L17 VanDerWaalsContact O-CG 3.28Å; C13-L17 WeakPolarHBondContact O-CG 3.3Å; C13-L17 PolarHBondContact O-N 3.21Å; C13-L17 VanDerWaalsContact O-N 3.11Å; G14-L17 PolarHBondContact O-N 3.44Å; V15-L17 PolarHBondContact O-N 3.32Å; L17-S19 PolarHBondContact O-N 3.08Å; L17-F56 HydrophobicContact CD1-CD2 4.13Å; L17-F56 HydrophobicContact CD2-CD2 4.19Å; L17-F56 HydrophobicContact CD2-CE2 4.28Å; L17-F56 HydrophobicContact CG-CD2 3.86Å; L17-F56 HydrophobicContact CG-CE2 4Å; L17-K59 HydrophobicContact CD1-CD 3.95Å; L17-K59 HydrophobicContact CD2-CB 3.69Å; L17-V60 HydrophobicContact CD2-CG2 3.49Å; L17-V60 VanDerWaalsContact CD2-CG2 3.49Å; L17-V60 HydrophobicContact CG-CG2 4.49Å |
| 18 | V | 72.3 | Confident | 71.7 | Confident | 107 Ų | 107 | 70.4 Ų | 70.4 | 65% | 0.648 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -95.9 | 85.6 | -178 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | V15 G20 | V15-V18 PolarHBondContact O-N 3.45Å; V18-G20 PolarHBondContact O-N 3.49Å |
| 19 | S | 54.3 | Low | 71.7 | Confident | 52 Ų | 52 | 66.6 Ų | 66.6 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 116.2 | -178.9 | 20.1 | 0 | 0 | 0 | 0 | 111.4 | L17 T65 | L17-S19 PolarHBondContact O-N 3.08Å; S19-T65 PolarHBondContact OG-OG1 2.85Å |
| 20 | G | 54.1 | Low | 71.8 | Confident | 85 Ų | 85 | 70 Ų | 70 | 88% | 0.876 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 158.7 | -21.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V18 | V18-G20 PolarHBondContact O-N 3.49Š|
| 21 | S | 49.2 | Very low | 71.8 | Confident | 71 Ų | 71 | 73 Ų | 73 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -96 | 139.9 | 173.1 | 46.2 | 0 | 0 | 0 | 0 | 111.2 | L23 | S21-L23 PolarHBondContact O-N 3.21Š|
| 22 | S | 53.1 | Low | 72.2 | Confident | 127 Ų | 127 | 65.2 Ų | 65.2 | 89% | 0.888 | 40% | 0.404 | S | S | * | . | trans | -54.7 | 103.5 | 171.5 | 59.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 23 | L | 55.6 | Low | 72.5 | Confident | 93 Ų | 93 | 63.1 Ų | 63.1 | 49% | 0.487 | 39% | 0.391 | S | S | . | . | trans | -155.8 | 156.2 | -176.4 | -106.9 | 152.6 | 0 | 0 | 0 | 109.8 | V15 S21 | V15-L23 HydrophobicContact CG1-CD1 3.58Å; V15-L23 HydrophobicContact CG1-CD2 4.17Å; S21-L23 PolarHBondContact O-N 3.21Å | ||
| 24 | P | 57.3 | Low | 72.8 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 29% | 0.292 | 41% | 0.414 | S | S | . | . | -82.4 | 175.9 | -74.6 | 32 | -16.9 | 0 | 0 | 0 | 111.4 | L29 | P24-L29 HydrophobicContact CG-CD2 4.18Å; P24-L29 HydrophobicContact CG-CG 4.23Å | |||
| 25 | D | 67.3 | Low | 73.1 | Confident | 90 Ų | 90 | 68.2 Ų | 68.2 | 48% | 0.481 | 41% | 0.406 | S | S | . | . | trans | -61.9 | 149.6 | 172.7 | 69.3 | -29.9 | 0 | 0 | 0 | 111.4 | T27 S28 | D25-T27 PolarHBondContact O-N 3.18Å; D25-T27 WeakPolarHBondContact OD2-CB 3.38Å; D25-T27 PolarHBondContact OD2-OG1 3.02Å; D25-S28 WeakPolarHBondContact O-CB 3.47Å; D25-S28 PolarHBondContact O-N 2.91Å; D25-S28 WeakPolarHBondContact OD1-CB 3.41Å; D25-S28 PolarHBondContact OD1-N 2.9Å; D25-S28 PolarHBondContact OD1-OG 3.21Å | ||
| 26 | D | 69.6 | Low | 73.6 | Confident | 91 Ų | 91 | 64.7 Ų | 64.7 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -51.5 | -32.5 | -178.8 | -67.1 | -29 | 0 | 0 | 0 | 112.2 | S28 L29 E30 S69 | D26-S28 VanDerWaalsContact C-N 3.26Å; D26-S28 PolarHBondContact O-N 2.94Å; D26-L29 PolarHBondContact O-N 3.36Å; D26-E30 WeakPolarHBondContact O-CG 3.43Å; D26-E30 PolarHBondContact O-N 3.02Å; D26-S69 WeakPolarHBondContact OD1-CB 3.1Å; D26-S69 PolarHBondContact OD1-OG 3.36Å |
| 27 | T | 76.1 | Confident | 74 | Confident | 74 Ų | 74 | 65.9 Ų | 65.9 | 45% | 0.454 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -53.8 | -39.3 | 174.6 | -40.2 | 0 | 0 | 0 | 0 | 113.3 | D25 K31 | D25-T27 PolarHBondContact O-N 3.18Å; D25-T27 WeakPolarHBondContact OD2-CB 3.38Å; D25-T27 PolarHBondContact OD2-OG1 3.02Å; T27-K31 HydrophobicContact CG2-CD 4.48Å; T27-K31 WeakPolarHBondContact O-CB 3.47Å; T27-K31 VanDerWaalsContact O-CG 3.3Å; T27-K31 WeakPolarHBondContact O-CG 3.42Å; T27-K31 PolarHBondContact O-N 3.05Å |
| 28 | S | 81.5 | Confident | 74.5 | Confident | 52 Ų | 52 | 67.6 Ų | 67.6 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -73.2 | -36.5 | -177.7 | -66.1 | 0 | 0 | 0 | 0 | 112.1 | D25 D26 L32 | D25-S28 WeakPolarHBondContact O-CB 3.47Å; D25-S28 PolarHBondContact O-N 2.91Å; D25-S28 WeakPolarHBondContact OD1-CB 3.41Å; D25-S28 PolarHBondContact OD1-N 2.9Å; D25-S28 PolarHBondContact OD1-OG 3.21Å; D26-S28 VanDerWaalsContact C-N 3.26Å; D26-S28 PolarHBondContact O-N 2.94Å; S28-L32 PolarHBondContact O-N 3.13Å; S28-L32 VanDerWaalsContact O-N 3.14Å |
| 29 | L | 83.8 | Confident | 75 | Confident | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.037 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.4 | -41 | 175.8 | -65.9 | 176.2 | 0 | 0 | 0 | 111.4 | L16 P24 D26 L32 L33 F73 | L16-L29 HydrophobicContact CD1-CD2 4.47Å; L16-L29 HydrophobicContact CD2-CD2 3.96Å; P24-L29 HydrophobicContact CG-CD2 4.18Å; P24-L29 HydrophobicContact CG-CG 4.23Å; D26-L29 PolarHBondContact O-N 3.36Å; L29-L32 WeakPolarHBondContact O-CB 3.44Å; L29-L32 PolarHBondContact O-N 3.38Å; L29-L33 PolarHBondContact O-N 2.89Å; L29-F73 HydrophobicContact CB-CB 4.34Å; L29-F73 HydrophobicContact CB-CD2 3.94Å; L29-F73 HydrophobicContact CB-CG 4.35Å; L29-F73 HydrophobicContact CD1-CB 4.22Å; L29-F73 HydrophobicContact CD2-CD2 4.24Å; L29-F73 HydrophobicContact CD2-CG 4.19Å |
| 30 | E | 86.1 | Confident | 76.5 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 175.2 | -65.8 | -61 | 150.7 | 0 | 0 | 111.7 | D26 L32 L33 D34 K76 | D26-E30 WeakPolarHBondContact O-CG 3.43Å; D26-E30 PolarHBondContact O-N 3.02Å; E30-L32 PolarHBondContact O-N 3.32Å; E30-L33 WeakPolarHBondContact O-CB 3.35Å; E30-L33 PolarHBondContact O-N 2.97Å; E30-L33 VanDerWaalsContact O-N 3.09Å; E30-D34 PolarHBondContact O-N 2.93Å; E30-K76 IonicContact OE1-NZ 2.78Å; E30-K76 PolarHBondContact OE1-NZ 3.22Å; E30-K76 IonicContact OE2-NZ 3.36Å |
| 31 | K | 84.2 | Confident | 77.9 | Confident | 136 Ų | 136 | 66 Ų | 66 | 59% | 0.591 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.3 | -33.7 | 173.6 | -77.7 | 176 | 179.3 | 175.8 | 0 | 113 | T27 D34 W35 | T27-K31 HydrophobicContact CG2-CD 4.48Å; T27-K31 WeakPolarHBondContact O-CB 3.47Å; T27-K31 VanDerWaalsContact O-CG 3.3Å; T27-K31 WeakPolarHBondContact O-CG 3.42Å; T27-K31 PolarHBondContact O-N 3.05Å; K31-D34 PolarHBondContact O-N 3.37Å; K31-W35 PolarHBondContact O-N 3.11Å; K31-W35 VanDerWaalsContact O-N 3.08Å |
| 32 | L | 86.9 | Confident | 79.3 | Confident | 36 Ų | 36 | 67.4 Ų | 67.4 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.1 | -38.9 | 175.7 | -172.7 | 65.1 | 0 | 0 | 0 | 111.2 | L16 S28 L29 E30 W35 F36 F73 | L16-L32 HydrophobicContact CD1-CD2 4.47Å; S28-L32 PolarHBondContact O-N 3.13Å; S28-L32 VanDerWaalsContact O-N 3.14Å; L29-L32 WeakPolarHBondContact O-CB 3.44Å; L29-L32 PolarHBondContact O-N 3.38Å; E30-L32 PolarHBondContact O-N 3.32Å; L32-W35 HydrophobicContact CD1-CE3 3.63Å; L32-W35 HydrophobicContact CD1-CZ3 4.04Å; L32-W35 WeakPolarHBondContact O-CB 3.44Å; L32-W35 PolarHBondContact O-N 3.36Å; L32-F36 HydrophobicContact CD1-CE2 4.12Å; L32-F36 HydrophobicContact CD1-CZ 4.03Å; L32-F36 HydrophobicContact CD2-CE2 4.09Å; L32-F36 HydrophobicContact CD2-CZ 4.4Å; L32-F36 HydrophobicContact CG-CD2 4.27Å; L32-F36 HydrophobicContact CG-CE2 3.62Å; L32-F36 HydrophobicContact CG-CZ 4.02Å; L32-F36 WeakPolarHBondContact O-CD2 3.28Å; L32-F36 WeakPolarHBondContact O-CG 3.28Å; L32-F36 PolarHBondContact O-N 3.48Å; L32-F73 HydrophobicContact CB-CE2 4.2Å; L32-F73 HydrophobicContact CD2-CE2 3.97Å; L32-F73 HydrophobicContact CD2-CZ 3.66Å; L32-F73 HydrophobicContact CG-CE2 4.22Å; L32-F73 HydrophobicContact CG-CZ 4.25Å |
| 33 | L | 89.1 | Confident | 79.9 | Confident | 10 Ų | 10 | 64.9 Ų | 64.9 | 5% | 0.052 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 171.1 | -72.8 | 170 | 0 | 0 | 0 | 112.4 | L29 E30 W35 F36 T37 F73 K76 L77 | L29-L33 PolarHBondContact O-N 2.89Å; E30-L33 WeakPolarHBondContact O-CB 3.35Å; E30-L33 PolarHBondContact O-N 2.97Å; E30-L33 VanDerWaalsContact O-N 3.09Å; L33-W35 VanDerWaalsContact C-N 3.28Å; L33-W35 PolarHBondContact O-N 2.93Å; L33-F36 PolarHBondContact O-N 3.02Å; L33-T37 WeakPolarHBondContact O-CB 3.38Å; L33-T37 PolarHBondContact O-N 3.5Å; L33-T37 PolarHBondContact O-OG1 3.41Å; L33-F73 HydrophobicContact CD1-CD2 3.85Å; L33-F73 HydrophobicContact CD1-CE2 4.4Å; L33-F73 HydrophobicContact CD2-CD2 3.93Å; L33-F73 HydrophobicContact CD2-CE2 3.8Å; L33-F73 HydrophobicContact CG-CD2 3.59Å; L33-F73 HydrophobicContact CG-CE2 3.63Å; L33-K76 HydrophobicContact CD1-CB 3.8Å; L33-K76 HydrophobicContact CD1-CD 3.63Å; L33-K76 HydrophobicContact CD1-CG 4.38Å; L33-K76 HydrophobicContact CD2-CB 4.18Å; L33-L77 HydrophobicContact CD2-CB 4.08Å |
| 34 | D | 88.8 | Confident | 80.7 | Confident | 101 Ų | 101 | 63.8 Ų | 63.8 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 175.6 | -73.5 | -24 | 0 | 0 | 0 | 111.4 | E30 K31 T37 T38 | E30-D34 PolarHBondContact O-N 2.93Å; K31-D34 PolarHBondContact O-N 3.37Å; D34-T37 PolarHBondContact O-N 3.03Å; D34-T38 PolarHBondContact O-N 3.37Å; D34-T38 PolarHBondContact O-OG1 2.75Å |
| 35 | W | 87.9 | Confident | 81.7 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 19% | 0.186 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.6 | -48.9 | 175.3 | 176.2 | 57.8 | 0 | 0 | 0 | 112 | C5 V6 L9 K31 L32 L33 T37 T38 I39 | C5-W35 HydrophobicContact CB-CH2 4.43Å; C5-W35 HydrophobicContact CB-CZ2 4.01Å; V6-W35 HydrophobicContact CG2-CH2 4.33Å; V6-W35 HydrophobicContact CG2-CZ2 4.18Å; L9-W35 HydrophobicContact CD1-CZ3 4.3Å; L9-W35 HydrophobicContact CD2-CZ3 4.42Å; K31-W35 PolarHBondContact O-N 3.11Å; K31-W35 VanDerWaalsContact O-N 3.08Å; L32-W35 HydrophobicContact CD1-CE3 3.63Å; L32-W35 HydrophobicContact CD1-CZ3 4.04Å; L32-W35 WeakPolarHBondContact O-CB 3.44Å; L32-W35 PolarHBondContact O-N 3.36Å; L33-W35 VanDerWaalsContact C-N 3.28Å; L33-W35 PolarHBondContact O-N 2.93Å; W35-T37 VanDerWaalsContact C-N 3.27Å; W35-T37 PolarHBondContact O-N 3.46Å; W35-T38 WeakPolarHBondContact O-CB 3.32Å; W35-T38 PolarHBondContact O-N 3.49Å; W35-T38 VanDerWaalsContact O-N 3.16Å; W35-I39 HydrophobicContact CD2-CD1 3.98Å; W35-I39 HydrophobicContact CE3-CD1 4.42Å; W35-I39 HydrophobicContact CH2-CD1 4.16Å; W35-I39 HydrophobicContact CZ2-CD1 3.64Å; W35-I39 PolarHBondContact O-N 3.18Å; W35-I39 VanDerWaalsContact O-N 3.08Å |
| 36 | F | 89.6 | Confident | 82.6 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.7 | -37.1 | 175.2 | -65.3 | -46.9 | 0 | 0 | 0 | 112.5 | L9 L32 L33 T38 I39 A40 L46 L53 F73 L77 L80 | L9-F36 HydrophobicContact CD1-CE1 4.2Å; L9-F36 HydrophobicContact CD1-CZ 3.79Å; L9-F36 HydrophobicContact CD2-CE1 3.92Å; L9-F36 HydrophobicContact CD2-CZ 4.23Å; L32-F36 HydrophobicContact CD1-CE2 4.12Å; L32-F36 HydrophobicContact CD1-CZ 4.03Å; L32-F36 HydrophobicContact CD2-CE2 4.09Å; L32-F36 HydrophobicContact CD2-CZ 4.4Å; L32-F36 HydrophobicContact CG-CD2 4.27Å; L32-F36 HydrophobicContact CG-CE2 3.62Å; L32-F36 HydrophobicContact CG-CZ 4.02Å; L32-F36 WeakPolarHBondContact O-CD2 3.28Å; L32-F36 WeakPolarHBondContact O-CG 3.28Å; L32-F36 PolarHBondContact O-N 3.48Å; L33-F36 PolarHBondContact O-N 3.02Å; F36-T38 VanDerWaalsContact C-N 3.3Å; F36-T38 PolarHBondContact O-N 3.46Å; F36-I39 HydrophobicContact CD1-CD1 4.45Å; F36-I39 PolarHBondContact O-N 3.36Å; F36-A40 PolarHBondContact O-N 3.2Å; F36-L46 HydrophobicContact CB-CD1 4.14Å; F36-L46 HydrophobicContact CB-CD2 4.48Å; F36-L46 HydrophobicContact CD1-CD1 3.97Å; F36-L46 HydrophobicContact CG-CD1 4.4Å; F36-L53 HydrophobicContact CD1-CD1 4.34Å; F36-L53 HydrophobicContact CE1-CD1 4.06Å; F36-L53 HydrophobicContact CE1-CD2 4.17Å; F36-L53 HydrophobicContact CE2-CD2 4.23Å; F36-L53 HydrophobicContact CZ-CD1 4.34Å; F36-L53 HydrophobicContact CZ-CD2 3.71Å; F36-F73 HydrophobicContact CE2-CZ 4.12Å; F36-L77 HydrophobicContact CD2-CD1 3.66Å; F36-L77 HydrophobicContact CE2-CD1 3.95Å; F36-L77 HydrophobicContact CG-CD1 4.32Å; F36-L80 HydrophobicContact CB-CD2 3.41Å; F36-L80 VanDerWaalsContact CB-CD2 3.41Å |
| 37 | T | 89.4 | Confident | 83.4 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 176.4 | -60.3 | 0 | 0 | 0 | 0 | 110.7 | L33 D34 W35 I39 A40 Q41 | L33-T37 WeakPolarHBondContact O-CB 3.38Å; L33-T37 PolarHBondContact O-N 3.5Å; L33-T37 PolarHBondContact O-OG1 3.41Å; D34-T37 PolarHBondContact O-N 3.03Å; W35-T37 VanDerWaalsContact C-N 3.27Å; W35-T37 PolarHBondContact O-N 3.46Å; T37-I39 PolarHBondContact O-N 3.26Å; T37-A40 PolarHBondContact O-N 3.41Å; T37-Q41 WeakPolarHBondContact O-CB 3.49Å; T37-Q41 VanDerWaalsContact O-CG 3.26Å; T37-Q41 WeakPolarHBondContact O-CG 3.47Å; T37-Q41 PolarHBondContact O-N 3.45Å |
| 38 | T | 87.4 | Confident | 83.7 | Confident | 80 Ų | 80 | 60.2 Ų | 60.2 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 175 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | D34 W35 F36 Q41 T42 | D34-T38 PolarHBondContact O-N 3.37Å; D34-T38 PolarHBondContact O-OG1 2.75Å; W35-T38 WeakPolarHBondContact O-CB 3.32Å; W35-T38 PolarHBondContact O-N 3.49Å; W35-T38 VanDerWaalsContact O-N 3.16Å; F36-T38 VanDerWaalsContact C-N 3.3Å; F36-T38 PolarHBondContact O-N 3.46Å; T38-Q41 PolarHBondContact O-N 3.19Å; T38-T42 WeakPolarHBondContact O-CG2 3.06Å; T38-T42 PolarHBondContact O-N 2.82Å; T38-T42 VanDerWaalsContact O-N 3.13Å; T38-T42 PolarHBondContact O-OG1 3.23Å |
| 39 | I | 84.3 | Confident | 83.8 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 11% | 0.108 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 176.7 | -65.5 | 169.1 | 0 | 0 | 0 | 111.5 | W35 F36 T37 Q41 T42 T44 L46 A49 | W35-I39 HydrophobicContact CD2-CD1 3.98Å; W35-I39 HydrophobicContact CE3-CD1 4.42Å; W35-I39 HydrophobicContact CH2-CD1 4.16Å; W35-I39 HydrophobicContact CZ2-CD1 3.64Å; W35-I39 PolarHBondContact O-N 3.18Å; W35-I39 VanDerWaalsContact O-N 3.08Å; F36-I39 HydrophobicContact CD1-CD1 4.45Å; F36-I39 PolarHBondContact O-N 3.36Å; T37-I39 PolarHBondContact O-N 3.26Å; I39-Q41 VanDerWaalsContact C-N 3.27Å; I39-Q41 PolarHBondContact O-N 3.32Å; I39-T42 PolarHBondContact O-N 3.02Å; I39-T42 PolarHBondContact O-OG1 3.14Å; I39-T44 PolarHBondContact O-OG1 3.49Å; I39-T44 VanDerWaalsContact O-OG1 3.06Å; I39-L46 HydrophobicContact CB-CD1 4.31Å; I39-L46 HydrophobicContact CG2-CD1 4.05Å; I39-A49 HydrophobicContact CG2-CB 3.82Å |
| 40 | A | 84.7 | Confident | 83.9 | Confident | 40 Ų | 40 | 58.9 Ų | 58.9 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.5 | -31.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | F36 T37 L80 | F36-A40 PolarHBondContact O-N 3.2Å; T37-A40 PolarHBondContact O-N 3.41Å; A40-L80 HydrophobicContact CB-CD1 4.22Å |
| 41 | Q | 84 | Confident | 83.9 | Confident | 151 Ų | 151 | 59.8 Ų | 59.8 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -78.7 | -22.6 | 178.5 | -72.9 | 173.8 | 3.8 | 0 | 0 | 113.9 | T37 T38 I39 G43 | T37-Q41 WeakPolarHBondContact O-CB 3.49Å; T37-Q41 VanDerWaalsContact O-CG 3.26Å; T37-Q41 WeakPolarHBondContact O-CG 3.47Å; T37-Q41 PolarHBondContact O-N 3.45Å; T38-Q41 PolarHBondContact O-N 3.19Å; I39-Q41 VanDerWaalsContact C-N 3.27Å; I39-Q41 PolarHBondContact O-N 3.32Å; Q41-G43 PolarHBondContact O-N 3.01Å |
| 42 | T | 79.5 | Confident | 84.1 | Confident | 99 Ų | 99 | 54.6 Ų | 54.6 | 61% | 0.607 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 1.6 | 177.5 | 47.6 | 0 | 0 | 0 | 0 | 114 | T38 I39 T44 | T38-T42 WeakPolarHBondContact O-CG2 3.06Å; T38-T42 PolarHBondContact O-N 2.82Å; T38-T42 VanDerWaalsContact O-N 3.13Å; T38-T42 PolarHBondContact O-OG1 3.23Å; I39-T42 PolarHBondContact O-N 3.02Å; I39-T42 PolarHBondContact O-OG1 3.14Å; T42-T44 VanDerWaalsContact C-N 3.29Å; T42-T44 PolarHBondContact O-N 3.39Å; T42-T44 PolarHBondContact OG1-OG1 3.49Å |
| 43 | G | 65.6 | Low | 84.3 | Confident | 74 Ų | 74 | 52.9 Ų | 52.9 | 76% | 0.763 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -4.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q41 | Q41-G43 PolarHBondContact O-N 3.01Š|
| 44 | T | 71.3 | Confident | 84.4 | Confident | 70 Ų | 70 | 53.2 Ų | 53.2 | 43% | 0.429 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -77.9 | 134.4 | 168.9 | 39.8 | 0 | 0 | 0 | 0 | 110.5 | I39 T42 L46 | I39-T44 PolarHBondContact O-OG1 3.49Å; I39-T44 VanDerWaalsContact O-OG1 3.06Å; T42-T44 VanDerWaalsContact C-N 3.29Å; T42-T44 PolarHBondContact O-N 3.39Å; T42-T44 PolarHBondContact OG1-OG1 3.49Å; T44-L46 PolarHBondContact O-N 3.31Å |
| 45 | S | 79.1 | Confident | 84.4 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 22% | 0.217 | 32% | 0.319 | C | S | . | . | trans | -61 | 125.4 | 173.9 | 172.6 | 0 | 0 | 0 | 0 | 109.9 | L47 E48 A49 | S45-L47 PolarHBondContact O-N 3.07Å; S45-E48 WeakPolarHBondContact O-CB 3.45Å; S45-E48 PolarHBondContact O-N 3.08Å; S45-A49 PolarHBondContact O-N 3.08Å | ||
| 46 | L | 85.4 | Confident | 84.6 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.4 | -34.5 | -179.2 | -179.9 | 61.3 | 0 | 0 | 0 | 111.4 | F36 I39 T44 A49 C50 L53 L80 I81 | F36-L46 HydrophobicContact CB-CD1 4.14Å; F36-L46 HydrophobicContact CB-CD2 4.48Å; F36-L46 HydrophobicContact CD1-CD1 3.97Å; F36-L46 HydrophobicContact CG-CD1 4.4Å; I39-L46 HydrophobicContact CB-CD1 4.31Å; I39-L46 HydrophobicContact CG2-CD1 4.05Å; T44-L46 PolarHBondContact O-N 3.31Å; L46-A49 PolarHBondContact O-N 3.46Å; L46-C50 WeakPolarHBondContact O-CA 3.33Å; L46-C50 WeakPolarHBondContact O-CB 3.35Å; L46-C50 PolarHBondContact O-N 2.93Å; L46-L53 HydrophobicContact CD1-CD1 4.13Å; L46-L53 HydrophobicContact CD2-CD1 4.33Å; L46-L53 HydrophobicContact CG-CD1 4.02Å; L46-L80 HydrophobicContact CD2-CD2 4.06Å; L46-L80 HydrophobicContact CD2-CG 3.99Å; L46-I81 HydrophobicContact CD2-CG1 3.85Å |
| 47 | L | 86.1 | Confident | 84.7 | Confident | 28 Ų | 28 | 51 Ų | 51 | 15% | 0.147 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.8 | -29.2 | 178.6 | -65.1 | -173 | 0 | 0 | 0 | 112.9 | S45 C50 P51 V54 I81 V90 | S45-L47 PolarHBondContact O-N 3.07Å; L47-C50 CarbonylContact O-C 3.56Å; L47-P51 VanDerWaalsContact O-CA 3.3Å; L47-P51 WeakPolarHBondContact O-CA 3.5Å; L47-V54 HydrophobicContact CD1-CG2 4.1Å; L47-V54 HydrophobicContact CD2-CG2 3.55Å; L47-V54 HydrophobicContact CG-CG2 4.47Å; L47-I81 HydrophobicContact CD1-CG2 3.99Å; L47-I81 HydrophobicContact CD2-CD1 4.35Å; L47-I81 HydrophobicContact CD2-CG1 4.25Å; L47-I81 HydrophobicContact CD2-CG2 3.71Å; L47-I81 HydrophobicContact CG-CG2 3.99Å; L47-V90 HydrophobicContact CD1-CB 4.09Å; L47-V90 HydrophobicContact CD1-CG1 4.16Å; L47-V90 HydrophobicContact CD1-CG2 4.18Å |
| 48 | E | 84.1 | Confident | 84.7 | Confident | 155 Ų | 155 | 50.4 Ų | 50.4 | 72% | 0.724 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -70.4 | -42.5 | 171.4 | -68.8 | 175.4 | 169.2 | 0 | 0 | 110.9 | S45 | S45-E48 WeakPolarHBondContact O-CB 3.45Å; S45-E48 PolarHBondContact O-N 3.08Å |
| 49 | A | 83.1 | Confident | 84.8 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.1 | -32.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | V6 I39 S45 L46 | V6-A49 WeakPolarHBondContact CG1-O 3.37Å; I39-A49 HydrophobicContact CG2-CB 3.82Å; S45-A49 PolarHBondContact O-N 3.08Å; L46-A49 PolarHBondContact O-N 3.46Å |
| 50 | C | 86.1 | Confident | 84.9 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | trans | -140.8 | 71.1 | -170.7 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | L9 L46 L47 C52 L53 | L9-C50 HydrophobicContact CD2-CB 3.6Å; L9-C50 WeakPolarHBondContact CD2-SG 3.29Å; L46-C50 WeakPolarHBondContact O-CA 3.33Å; L46-C50 WeakPolarHBondContact O-CB 3.35Å; L46-C50 PolarHBondContact O-N 2.93Å; L47-C50 CarbonylContact O-C 3.56Å; C50-C52 VanDerWaalsContact C-N 3.27Å; C50-C52 PolarHBondContact O-N 3.33Å; C50-L53 HydrophobicContact CB-CD1 3.4Å; C50-L53 VanDerWaalsContact CB-CD1 3.4Å; C50-L53 HydrophobicContact CB-CG 3.81Å; C50-L53 WeakPolarHBondContact O-CG 3.4Å; C50-L53 PolarHBondContact O-N 2.91Å | ||
| 51 | P | 85.5 | Confident | 84.8 | Confident | 94 Ų | 94 | 49.8 Ų | 49.8 | 61% | 0.61 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -23.5 | -171.4 | 24.6 | -34.8 | 0 | 0 | 0 | 114.4 | L47 L53 | L47-P51 VanDerWaalsContact O-CA 3.3Å; L47-P51 WeakPolarHBondContact O-CA 3.5Å; P51-L53 PolarHBondContact O-N 2.9Å |
| 52 | C | 88.6 | Confident | 84.6 | Confident | 27 Ų | 27 | 48.7 Ų | 48.7 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -9 | -179.5 | 63.2 | 0 | 0 | 0 | 0 | 114.3 | P10 C50 F56 | P10-C52 HydrophobicContact CB-CB 4.5Å; P10-C52 HydrophobicContact CG-CB 4.28Å; C50-C52 VanDerWaalsContact C-N 3.27Å; C50-C52 PolarHBondContact O-N 3.33Å; C52-F56 PolarHBondContact O-N 2.69Å; C52-F56 VanDerWaalsContact O-N 3.11Å |
| 53 | L | 91.1 | Very high | 84.7 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.1 | -34.2 | -173.4 | -66.6 | 173.8 | 0 | 0 | 0 | 113.2 | L9 F36 L46 C50 P51 F56 V57 L77 I81 | L9-L53 HydrophobicContact CD2-CD2 4.19Å; L9-L53 HydrophobicContact CD2-CG 4.43Å; F36-L53 HydrophobicContact CD1-CD1 4.34Å; F36-L53 HydrophobicContact CE1-CD1 4.06Å; F36-L53 HydrophobicContact CE1-CD2 4.17Å; F36-L53 HydrophobicContact CE2-CD2 4.23Å; F36-L53 HydrophobicContact CZ-CD1 4.34Å; F36-L53 HydrophobicContact CZ-CD2 3.71Å; L46-L53 HydrophobicContact CD1-CD1 4.13Å; L46-L53 HydrophobicContact CD2-CD1 4.33Å; L46-L53 HydrophobicContact CG-CD1 4.02Å; C50-L53 HydrophobicContact CB-CD1 3.4Å; C50-L53 VanDerWaalsContact CB-CD1 3.4Å; C50-L53 HydrophobicContact CB-CG 3.81Å; C50-L53 WeakPolarHBondContact O-CG 3.4Å; C50-L53 PolarHBondContact O-N 2.91Å; P51-L53 PolarHBondContact O-N 2.9Å; L53-F56 PolarHBondContact O-N 2.8Å; L53-V57 WeakPolarHBondContact O-CG2 3.47Å; L53-V57 PolarHBondContact O-N 2.9Å; L53-L77 HydrophobicContact CD1-CD1 4.41Å; L53-L77 HydrophobicContact CD2-CD2 3.97Å; L53-I81 HydrophobicContact CB-CD1 3.95Å |
| 54 | V | 90.3 | Very high | 85.2 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 10% | 0.097 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.8 | -44.2 | 178.5 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | L47 F56 V57 S58 V90 | L47-V54 HydrophobicContact CD1-CG2 4.1Å; L47-V54 HydrophobicContact CD2-CG2 3.55Å; L47-V54 HydrophobicContact CG-CG2 4.47Å; V54-F56 VanDerWaalsContact C-N 3.34Å; V54-F56 PolarHBondContact O-N 3.37Å; V54-V57 PolarHBondContact O-N 3.11Å; V54-S58 WeakPolarHBondContact O-CB 3.49Å; V54-S58 PolarHBondContact O-N 3.06Å; V54-S58 PolarHBondContact O-OG 2.99Å; V54-V90 HydrophobicContact CG1-CG1 4.22Å; V54-V90 HydrophobicContact CG2-CG1 4.01Å |
| 55 | D | 90.3 | Very high | 85.3 | Confident | 103 Ų | 103 | 49.4 Ų | 49.4 | 55% | 0.551 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.7 | -40.6 | 176.4 | -74.4 | -13.2 | 0 | 0 | 0 | 111.6 | K59 | D55-K59 WeakPolarHBondContact O-CB 3.21Å; D55-K59 VanDerWaalsContact O-CG 3.28Å; D55-K59 WeakPolarHBondContact O-CG 3.19Å; D55-K59 PolarHBondContact O-N 3.35Å |
| 56 | F | 90.6 | Very high | 85.1 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.4 | -54.3 | 176.2 | 169.9 | -99 | 0 | 0 | 0 | 111.3 | C13 L16 L17 C52 L53 V54 S58 K59 V60 F73 L77 | C13-F56 HydrophobicContact CB-CB 4.15Å; C13-F56 HydrophobicContact CB-CD2 3.67Å; C13-F56 HydrophobicContact CB-CE2 4.42Å; C13-F56 HydrophobicContact CB-CG 4.08Å; L16-F56 HydrophobicContact CB-CE2 3.75Å; L16-F56 HydrophobicContact CB-CZ 4.1Å; L16-F56 HydrophobicContact CD1-CE2 4.39Å; L16-F56 HydrophobicContact CD1-CZ 4.18Å; L17-F56 HydrophobicContact CD1-CD2 4.13Å; L17-F56 HydrophobicContact CD2-CD2 4.19Å; L17-F56 HydrophobicContact CD2-CE2 4.28Å; L17-F56 HydrophobicContact CG-CD2 3.86Å; L17-F56 HydrophobicContact CG-CE2 4Å; C52-F56 PolarHBondContact O-N 2.69Å; C52-F56 VanDerWaalsContact O-N 3.11Å; L53-F56 PolarHBondContact O-N 2.8Å; V54-F56 VanDerWaalsContact C-N 3.34Å; V54-F56 PolarHBondContact O-N 3.37Å; F56-S58 VanDerWaalsContact C-N 3.29Å; F56-S58 PolarHBondContact O-N 3.3Å; F56-K59 PolarHBondContact O-N 3.32Å; F56-V60 HydrophobicContact CD2-CG2 4.16Å; F56-V60 HydrophobicContact CE1-CG2 4.22Å; F56-V60 HydrophobicContact CE2-CG2 3.66Å; F56-V60 HydrophobicContact CZ-CG2 3.7Å; F56-V60 WeakPolarHBondContact O-CG2 3.33Å; F56-V60 PolarHBondContact O-N 3.31Å; F56-F73 HydrophobicContact CE1-CD1 4.25Å; F56-F73 AromaticContact CE1-CE1 3.75Å; F56-F73 HydrophobicContact CE1-CE1 3.75Å; F56-F73 HydrophobicContact CZ-CD1 4.41Å; F56-F73 HydrophobicContact CZ-CE1 4.06Å; F56-L77 HydrophobicContact CD1-CD2 3.98Å; F56-L77 HydrophobicContact CE1-CD2 4.07Å |
| 57 | V | 92.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 179.8 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | L53 V54 K59 V60 A61 T74 L77 T78 I81 V96 | L53-V57 WeakPolarHBondContact O-CG2 3.47Å; L53-V57 PolarHBondContact O-N 2.9Å; V54-V57 PolarHBondContact O-N 3.11Å; V57-K59 PolarHBondContact O-N 2.89Å; V57-V60 PolarHBondContact O-N 2.83Å; V57-A61 WeakPolarHBondContact O-CB 3.42Å; V57-A61 PolarHBondContact O-N 2.94Å; V57-T74 HydrophobicContact CB-CG2 4.34Å; V57-T74 HydrophobicContact CG1-CG2 4.09Å; V57-T74 HydrophobicContact CG2-CG2 4.22Å; V57-L77 HydrophobicContact CG2-CD2 3.96Å; V57-L77 HydrophobicContact CG2-CG 4.17Å; V57-T78 HydrophobicContact CG1-CG2 4.29Å; V57-T78 WeakPolarHBondContact CG1-OG1 2.96Å; V57-I81 HydrophobicContact CG2-CD1 4.19Å; V57-V96 HydrophobicContact CG1-CG1 3.57Å |
| 58 | S | 89.4 | Confident | 84.8 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 17% | 0.168 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 178.7 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | V54 F56 V60 A61 F62 V96 | V54-S58 WeakPolarHBondContact O-CB 3.49Å; V54-S58 PolarHBondContact O-N 3.06Å; V54-S58 PolarHBondContact O-OG 2.99Å; F56-S58 VanDerWaalsContact C-N 3.29Å; F56-S58 PolarHBondContact O-N 3.3Å; S58-V60 PolarHBondContact O-N 3.35Å; S58-A61 PolarHBondContact O-N 3.08Å; S58-F62 WeakPolarHBondContact O-CD2 3.5Å; S58-F62 PolarHBondContact O-N 3.42Å; S58-V96 WeakPolarHBondContact OG-CG2 3.33Å |
| 59 | K | 89.1 | Confident | 84.8 | Confident | 126 Ų | 126 | 44.4 Ų | 44.4 | 55% | 0.548 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | -179.6 | -73.9 | 171.8 | -176.1 | 174.5 | 0 | 113 | L17 D55 F56 V57 F62 D63 | L17-K59 HydrophobicContact CD1-CD 3.95Å; L17-K59 HydrophobicContact CD2-CB 3.69Å; D55-K59 WeakPolarHBondContact O-CB 3.21Å; D55-K59 VanDerWaalsContact O-CG 3.28Å; D55-K59 WeakPolarHBondContact O-CG 3.19Å; D55-K59 PolarHBondContact O-N 3.35Å; F56-K59 PolarHBondContact O-N 3.32Å; V57-K59 PolarHBondContact O-N 2.89Å; K59-F62 PolarHBondContact O-N 2.99Å; K59-D63 PolarHBondContact O-N 3.16Å |
| 60 | V | 87.3 | Confident | 85 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.5 | -38 | 178.8 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | L17 F56 V57 S58 F62 D63 I70 L71 T74 | L17-V60 HydrophobicContact CD2-CG2 3.49Å; L17-V60 VanDerWaalsContact CD2-CG2 3.49Å; L17-V60 HydrophobicContact CG-CG2 4.49Å; F56-V60 HydrophobicContact CD2-CG2 4.16Å; F56-V60 HydrophobicContact CE1-CG2 4.22Å; F56-V60 HydrophobicContact CE2-CG2 3.66Å; F56-V60 HydrophobicContact CZ-CG2 3.7Å; F56-V60 WeakPolarHBondContact O-CG2 3.33Å; F56-V60 PolarHBondContact O-N 3.31Å; V57-V60 PolarHBondContact O-N 2.83Å; S58-V60 PolarHBondContact O-N 3.35Å; V60-F62 PolarHBondContact O-N 3.42Å; V60-F62 VanDerWaalsContact O-N 3.16Å; V60-D63 PolarHBondContact O-N 3.43Å; V60-I70 HydrophobicContact CG1-CG2 4.24Å; V60-L71 HydrophobicContact CG1-CD2 3.89Å; V60-T74 HydrophobicContact CB-CG2 3.95Å; V60-T74 HydrophobicContact CG1-CG2 3.92Å; V60-T74 WeakPolarHBondContact CG1-OG1 3.49Å |
| 61 | A | 82.8 | Confident | 85.2 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.2 | -21.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | V57 S58 L99 V100 H105 | V57-A61 WeakPolarHBondContact O-CB 3.42Å; V57-A61 PolarHBondContact O-N 2.94Å; S58-A61 PolarHBondContact O-N 3.08Å; A61-L99 HydrophobicContact CB-CD2 3.94Å; A61-L99 WeakPolarHBondContact O-CD2 3.41Å; A61-V100 HydrophobicContact CB-CG2 3.6Å; A61-H105 PolarHBondContact O-NE2 3.42Å |
| 62 | F | 79.8 | Confident | 85.5 | Confident | 128 Ų | 128 | 40.1 Ų | 40.1 | 56% | 0.561 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -1.1 | 173.9 | -68.1 | -72.9 | 0 | 0 | 0 | 113.8 | S58 K59 V60 L99 | S58-F62 WeakPolarHBondContact O-CD2 3.5Å; S58-F62 PolarHBondContact O-N 3.42Å; K59-F62 PolarHBondContact O-N 2.99Å; V60-F62 PolarHBondContact O-N 3.42Å; V60-F62 VanDerWaalsContact O-N 3.16Å; F62-L99 HydrophobicContact CD1-CD2 3.6Å; F62-L99 HydrophobicContact CD2-CD2 4.27Å; F62-L99 HydrophobicContact CE1-CD1 4.32Å; F62-L99 HydrophobicContact CE1-CD2 3.35Å; F62-L99 HydrophobicContact CE1-CG 4.46Å; F62-L99 HydrophobicContact CE2-CD2 4.01Å; F62-L99 HydrophobicContact CG-CD2 4.06Å; F62-L99 HydrophobicContact CZ-CD2 3.55Å |
| 63 | D | 81.4 | Confident | 85.7 | Confident | 37 Ų | 37 | 39 Ų | 39 | 20% | 0.198 | 21% | 0.211 | C | C | . | . | trans | -108.9 | 104.2 | -177.3 | 175.6 | 30.4 | 0 | 0 | 0 | 112.6 | K59 V60 T65 S66 | K59-D63 PolarHBondContact O-N 3.16Å; V60-D63 PolarHBondContact O-N 3.43Å; D63-T65 VanDerWaalsContact CG-OG1 3.3Å; D63-T65 PolarHBondContact O-N 3.47Å; D63-T65 WeakPolarHBondContact OD1-CB 3.44Å; D63-T65 PolarHBondContact OD1-N 3.5Å; D63-T65 PolarHBondContact OD1-OG1 3.13Å; D63-T65 PolarHBondContact OD2-OG1 3.25Å; D63-S66 PolarHBondContact OD2-OG 3.21Å | ||
| 64 | Y | 76.1 | Confident | 85.8 | Confident | 118 Ų | 118 | 39.2 Ų | 39.2 | 46% | 0.463 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -3.9 | 178.2 | -46.9 | -68.9 | 0 | 0 | 0 | 114.1 | H105 A109 L111 | Y64-H105 AromaticContact CE1-CE1 3.4Å; Y64-H105 VanDerWaalsContact CE1-CE1 3.4Å; Y64-H105 WeakPolarHBondContact CE1-CE1 3.21Å; Y64-H105 AromaticContact CE1-NE2 3.85Å; Y64-H105 AromaticContact CZ-CE1 3.69Å; Y64-H105 PolarHBondContact OH-CE1 3.08Å; Y64-A109 HydrophobicContact CD1-CB 3.53Å; Y64-A109 HydrophobicContact CE1-CB 3.81Å; Y64-A109 HydrophobicContact CG-CB 4.3Å; Y64-L111 HydrophobicContact CD1-CD1 4.41Å |
| 65 | T | 72.1 | Confident | 86 | Confident | 103 Ų | 103 | 38.5 Ų | 38.5 | 63% | 0.632 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -8.1 | 178.7 | 71.4 | 0 | 0 | 0 | 0 | 113 | S19 D63 | S19-T65 PolarHBondContact OG-OG1 2.85Å; D63-T65 VanDerWaalsContact CG-OG1 3.3Å; D63-T65 PolarHBondContact O-N 3.47Å; D63-T65 WeakPolarHBondContact OD1-CB 3.44Å; D63-T65 PolarHBondContact OD1-N 3.5Å; D63-T65 PolarHBondContact OD1-OG1 3.13Å; D63-T65 PolarHBondContact OD2-OG1 3.25Å |
| 66 | S | 76.8 | Confident | 86.3 | Confident | 6 Ų | 6 | 34.2 Ų | 34.2 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -66.2 | 138.7 | 174.8 | -76.2 | 0 | 0 | 0 | 0 | 111.4 | D63 | D63-S66 PolarHBondContact OD2-OG 3.21Š|
| 67 | G | 79.3 | Confident | 86.5 | Confident | 38 Ų | 38 | 34 Ų | 34 | 39% | 0.392 | 18% | 0.184 | S | C | . | . | trans | -66.4 | 152.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S69 I70 L71 | G67-S69 PolarHBondContact O-N 2.93Å; G67-S69 VanDerWaalsContact O-N 3.12Å; G67-I70 WeakPolarHBondContact O-CB 3.42Å; G67-I70 PolarHBondContact O-N 2.83Å; G67-L71 PolarHBondContact O-N 3.46Å | ||
| 68 | S | 83.9 | Confident | 86.6 | Confident | 34 Ų | 34 | 34 Ų | 34 | 24% | 0.238 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.9 | -35.2 | -175.8 | -54.3 | 0 | 0 | 0 | 0 | 114.4 | L71 S72 D114 | S68-L71 PolarHBondContact O-N 2.91Å; S68-S72 VanDerWaalsContact O-CB 3.3Å; S68-S72 WeakPolarHBondContact O-CB 3.44Å; S68-S72 PolarHBondContact O-N 3.47Å; S68-D114 WeakPolarHBondContact CB-OD2 3.38Å; S68-D114 PolarHBondContact OG-OD2 3.16Å |
| 69 | S | 85.3 | Confident | 86.9 | Confident | 42 Ų | 42 | 32.9 Ų | 32.9 | 29% | 0.294 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.1 | -39.5 | 176 | -55.9 | 0 | 0 | 0 | 0 | 112.6 | D26 G67 S72 F73 | D26-S69 WeakPolarHBondContact OD1-CB 3.1Å; D26-S69 PolarHBondContact OD1-OG 3.36Å; G67-S69 PolarHBondContact O-N 2.93Å; G67-S69 VanDerWaalsContact O-N 3.12Å; S69-S72 PolarHBondContact O-N 3.37Å; S69-F73 VanDerWaalsContact O-CB 3.28Å; S69-F73 WeakPolarHBondContact O-CB 3.41Å; S69-F73 PolarHBondContact O-N 3.16Å |
| 70 | I | 87.6 | Confident | 87.2 | Confident | 23 Ų | 23 | 27.8 Ų | 27.8 | 12% | 0.118 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.6 | -41 | 177.9 | -62.3 | 170.9 | 0 | 0 | 0 | 110 | V60 G67 F73 T74 | V60-I70 HydrophobicContact CG1-CG2 4.24Å; G67-I70 WeakPolarHBondContact O-CB 3.42Å; G67-I70 PolarHBondContact O-N 2.83Å; I70-F73 PolarHBondContact O-N 3.4Å; I70-T74 WeakPolarHBondContact O-CB 3.37Å; I70-T74 PolarHBondContact O-N 2.99Å; I70-T74 PolarHBondContact O-OG1 2.99Å |
| 71 | L | 90.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.4 | -47.6 | 174.4 | -66.8 | 173.7 | 0 | 0 | 0 | 111 | V60 G67 S68 F73 T74 L75 W106 L111 L117 | V60-L71 HydrophobicContact CG1-CD2 3.89Å; G67-L71 PolarHBondContact O-N 3.46Å; S68-L71 PolarHBondContact O-N 2.91Å; L71-F73 PolarHBondContact O-N 2.7Å; L71-T74 PolarHBondContact O-N 3.35Å; L71-T74 VanDerWaalsContact O-N 3.11Å; L71-L75 VanDerWaalsContact O-CG 3.27Å; L71-L75 WeakPolarHBondContact O-CG 3.44Å; L71-L75 PolarHBondContact O-N 3.48Å; L71-W106 HydrophobicContact CD1-CZ3 4.41Å; L71-W106 HydrophobicContact CD2-CH2 4.12Å; L71-W106 HydrophobicContact CD2-CZ3 4.01Å; L71-L111 HydrophobicContact CD1-CD1 3.75Å; L71-L111 HydrophobicContact CD1-CD2 4.43Å; L71-L117 HydrophobicContact CB-CD1 3.55Å; L71-L117 HydrophobicContact CD1-CD1 4.03Å; L71-L117 HydrophobicContact CG-CD1 4.41Å |
| 72 | S | 91.5 | Very high | 88.1 | Confident | 9 Ų | 9 | 27.8 Ų | 27.8 | 6% | 0.063 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.1 | -47.8 | 176.1 | -166.2 | 0 | 0 | 0 | 0 | 112 | S68 S69 T74 L75 K76 C116 G120 | S68-S72 VanDerWaalsContact O-CB 3.3Å; S68-S72 WeakPolarHBondContact O-CB 3.44Å; S68-S72 PolarHBondContact O-N 3.47Å; S69-S72 PolarHBondContact O-N 3.37Å; S72-T74 VanDerWaalsContact C-N 3.32Å; S72-T74 PolarHBondContact O-N 3.38Å; S72-L75 PolarHBondContact O-N 2.85Å; S72-K76 WeakPolarHBondContact O-CG 3.47Å; S72-K76 PolarHBondContact O-N 3.37Å; S72-K76 VanDerWaalsContact O-N 3.11Å; S72-C116 WeakPolarHBondContact CB-O 3.26Å; S72-C116 PolarHBondContact OG-O 2.94Å; S72-G120 WeakPolarHBondContact OG-CA 3.33Å |
| 73 | F | 91.9 | Very high | 88.7 | Confident | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.5 | -45.4 | 173.6 | 166.7 | -96.9 | 0 | 0 | 0 | 111.9 | L16 L29 L32 L33 F36 F56 S69 I70 L71 K76 L77 | L16-F73 HydrophobicContact CD1-CE1 4.23Å; L29-F73 HydrophobicContact CB-CB 4.34Å; L29-F73 HydrophobicContact CB-CD2 3.94Å; L29-F73 HydrophobicContact CB-CG 4.35Å; L29-F73 HydrophobicContact CD1-CB 4.22Å; L29-F73 HydrophobicContact CD2-CD2 4.24Å; L29-F73 HydrophobicContact CD2-CG 4.19Å; L32-F73 HydrophobicContact CB-CE2 4.2Å; L32-F73 HydrophobicContact CD2-CE2 3.97Å; L32-F73 HydrophobicContact CD2-CZ 3.66Å; L32-F73 HydrophobicContact CG-CE2 4.22Å; L32-F73 HydrophobicContact CG-CZ 4.25Å; L33-F73 HydrophobicContact CD1-CD2 3.85Å; L33-F73 HydrophobicContact CD1-CE2 4.4Å; L33-F73 HydrophobicContact CD2-CD2 3.93Å; L33-F73 HydrophobicContact CD2-CE2 3.8Å; L33-F73 HydrophobicContact CG-CD2 3.59Å; L33-F73 HydrophobicContact CG-CE2 3.63Å; F36-F73 HydrophobicContact CE2-CZ 4.12Å; F56-F73 HydrophobicContact CE1-CD1 4.25Å; F56-F73 AromaticContact CE1-CE1 3.75Å; F56-F73 HydrophobicContact CE1-CE1 3.75Å; F56-F73 HydrophobicContact CZ-CD1 4.41Å; F56-F73 HydrophobicContact CZ-CE1 4.06Å; S69-F73 VanDerWaalsContact O-CB 3.28Å; S69-F73 WeakPolarHBondContact O-CB 3.41Å; S69-F73 PolarHBondContact O-N 3.16Å; I70-F73 PolarHBondContact O-N 3.4Å; L71-F73 PolarHBondContact O-N 2.7Å; F73-K76 PolarHBondContact O-N 3.37Å; F73-L77 HydrophobicContact CE1-CD2 3.99Å; F73-L77 HydrophobicContact CZ-CD2 4.11Å; F73-L77 WeakPolarHBondContact O-CB 3.22Å; F73-L77 PolarHBondContact O-N 3.5Å |
| 74 | T | 93.1 | Very high | 89.2 | Confident | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | -179 | -60.1 | 0 | 0 | 0 | 0 | 112 | V57 V60 I70 L71 S72 K76 L77 T78 | V57-T74 HydrophobicContact CB-CG2 4.34Å; V57-T74 HydrophobicContact CG1-CG2 4.09Å; V57-T74 HydrophobicContact CG2-CG2 4.22Å; V60-T74 HydrophobicContact CB-CG2 3.95Å; V60-T74 HydrophobicContact CG1-CG2 3.92Å; V60-T74 WeakPolarHBondContact CG1-OG1 3.49Å; I70-T74 WeakPolarHBondContact O-CB 3.37Å; I70-T74 PolarHBondContact O-N 2.99Å; I70-T74 PolarHBondContact O-OG1 2.99Å; L71-T74 PolarHBondContact O-N 3.35Å; L71-T74 VanDerWaalsContact O-N 3.11Å; S72-T74 VanDerWaalsContact C-N 3.32Å; S72-T74 PolarHBondContact O-N 3.38Å; T74-K76 PolarHBondContact O-N 2.95Å; T74-L77 PolarHBondContact O-N 3.48Å; T74-T78 WeakPolarHBondContact O-CB 3.39Å; T74-T78 PolarHBondContact O-N 3.33Å; T74-T78 PolarHBondContact O-OG1 3.35Å |
| 75 | L | 95.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.1 | -66.5 | 169 | 0 | 0 | 0 | 111.1 | L71 S72 T78 G79 V100 W106 L117 G120 W121 G124 | L71-L75 VanDerWaalsContact O-CG 3.27Å; L71-L75 WeakPolarHBondContact O-CG 3.44Å; L71-L75 PolarHBondContact O-N 3.48Å; S72-L75 PolarHBondContact O-N 2.85Å; L75-T78 PolarHBondContact O-N 3.05Å; L75-G79 PolarHBondContact O-N 2.9Å; L75-V100 HydrophobicContact CD2-CB 4.34Å; L75-V100 HydrophobicContact CD2-CG1 3.34Å; L75-W106 HydrophobicContact CD2-CZ2 3.8Å; L75-L117 HydrophobicContact CD1-CD1 3.67Å; L75-L117 HydrophobicContact CD1-CG 4.01Å; L75-L117 WeakPolarHBondContact CD1-O 3.36Å; L75-G120 WeakPolarHBondContact CB-O 3.43Å; L75-W121 HydrophobicContact CD1-CB 4.01Å; L75-G124 WeakPolarHBondContact O-CA 3.49Å |
| 76 | K | 95.8 | Very high | 90.8 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66 | -43.3 | 176.3 | -64.7 | 176.1 | -160.5 | -168 | 0 | 112.1 | E30 L33 S72 F73 T74 T78 G79 L80 Q123 | E30-K76 IonicContact OE1-NZ 2.78Å; E30-K76 PolarHBondContact OE1-NZ 3.22Å; E30-K76 IonicContact OE2-NZ 3.36Å; L33-K76 HydrophobicContact CD1-CB 3.8Å; L33-K76 HydrophobicContact CD1-CD 3.63Å; L33-K76 HydrophobicContact CD1-CG 4.38Å; L33-K76 HydrophobicContact CD2-CB 4.18Å; S72-K76 WeakPolarHBondContact O-CG 3.47Å; S72-K76 PolarHBondContact O-N 3.37Å; S72-K76 VanDerWaalsContact O-N 3.11Å; F73-K76 PolarHBondContact O-N 3.37Å; T74-K76 PolarHBondContact O-N 2.95Å; K76-T78 VanDerWaalsContact C-N 3.35Å; K76-T78 PolarHBondContact O-N 3.3Å; K76-G79 CarbonylContact O-C 3.54Å; K76-G79 WeakPolarHBondContact O-CA 3.18Å; K76-G79 PolarHBondContact O-N 3.12Å; K76-G79 VanDerWaalsContact O-N 3.1Å; K76-L80 PolarHBondContact O-N 3.33Å; K76-Q123 HydrophobicContact CG-CB 4.07Å |
| 77 | L | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62 | -42.4 | 177 | 179.8 | 60.8 | 0 | 0 | 0 | 111.6 | L33 F36 L53 F56 V57 F73 T74 G79 L80 I81 | L33-L77 HydrophobicContact CD2-CB 4.08Å; F36-L77 HydrophobicContact CD2-CD1 3.66Å; F36-L77 HydrophobicContact CE2-CD1 3.95Å; F36-L77 HydrophobicContact CG-CD1 4.32Å; L53-L77 HydrophobicContact CD1-CD1 4.41Å; L53-L77 HydrophobicContact CD2-CD2 3.97Å; F56-L77 HydrophobicContact CD1-CD2 3.98Å; F56-L77 HydrophobicContact CE1-CD2 4.07Å; V57-L77 HydrophobicContact CG2-CD2 3.96Å; V57-L77 HydrophobicContact CG2-CG 4.17Å; F73-L77 HydrophobicContact CE1-CD2 3.99Å; F73-L77 HydrophobicContact CZ-CD2 4.11Å; F73-L77 WeakPolarHBondContact O-CB 3.22Å; F73-L77 PolarHBondContact O-N 3.5Å; T74-L77 PolarHBondContact O-N 3.48Å; L77-G79 PolarHBondContact O-N 3.05Å; L77-L80 PolarHBondContact O-N 2.74Å; L77-L80 VanDerWaalsContact O-N 3.16Å; L77-I81 HydrophobicContact CD1-CD1 4.38Å; L77-I81 HydrophobicContact CD1-CG1 4.46Å; L77-I81 HydrophobicContact CG-CD1 4.13Å; L77-I81 WeakPolarHBondContact O-CG1 3.42Å; L77-I81 PolarHBondContact O-N 3.22Å |
| 78 | T | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.7 | -43.5 | 172.8 | -52.5 | 0 | 0 | 0 | 0 | 110.4 | V57 T74 L75 K76 I81 G82 L91 V96 L97 V100 F101 | V57-T78 HydrophobicContact CG1-CG2 4.29Å; V57-T78 WeakPolarHBondContact CG1-OG1 2.96Å; T74-T78 WeakPolarHBondContact O-CB 3.39Å; T74-T78 PolarHBondContact O-N 3.33Å; T74-T78 PolarHBondContact O-OG1 3.35Å; L75-T78 PolarHBondContact O-N 3.05Å; K76-T78 VanDerWaalsContact C-N 3.35Å; K76-T78 PolarHBondContact O-N 3.3Å; T78-I81 PolarHBondContact O-N 3.27Å; T78-G82 PolarHBondContact O-N 3.2Å; T78-L91 HydrophobicContact CG2-CD1 3.88Å; T78-L91 HydrophobicContact CG2-CD2 4.43Å; T78-L91 WeakPolarHBondContact O-CD1 3.47Å; T78-V96 HydrophobicContact CG2-CG1 4.04Å; T78-L97 HydrophobicContact CG2-CD2 4.24Å; T78-V100 HydrophobicContact CG2-CG1 3.96Å; T78-F101 HydrophobicContact CG2-CE2 4.02Å; T78-F101 HydrophobicContact CG2-CZ 4.47Å |
| 79 | G | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.9 | -47.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L75 K76 L77 G82 A83 G124 M127 | L75-G79 PolarHBondContact O-N 2.9Å; K76-G79 CarbonylContact O-C 3.54Å; K76-G79 WeakPolarHBondContact O-CA 3.18Å; K76-G79 PolarHBondContact O-N 3.12Å; K76-G79 VanDerWaalsContact O-N 3.1Å; L77-G79 PolarHBondContact O-N 3.05Å; G79-G82 CarbonylContact O-C 3.59Å; G79-G82 PolarHBondContact O-N 2.91Å; G79-A83 PolarHBondContact O-N 2.98Å; G79-G124 VanDerWaalsContact CA-O 3.22Å; G79-G124 WeakPolarHBondContact CA-O 3.38Å; G79-M127 VanDerWaalsContact C-CB 3.44Å; G79-M127 CarbonylContact O-C 3.58Å; G79-M127 WeakPolarHBondContact O-CB 3.44Å |
| 80 | L | 94.9 | Very high | 93.1 | Very high | 19 Ų | 19 | 26.9 Ų | 26.9 | 10% | 0.099 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | -179.5 | -178 | 64 | 0 | 0 | 0 | 112.3 | F36 A40 L46 K76 L77 A83 M127 | F36-L80 HydrophobicContact CB-CD2 3.41Å; F36-L80 VanDerWaalsContact CB-CD2 3.41Å; A40-L80 HydrophobicContact CB-CD1 4.22Å; L46-L80 HydrophobicContact CD2-CD2 4.06Å; L46-L80 HydrophobicContact CD2-CG 3.99Å; K76-L80 PolarHBondContact O-N 3.33Å; L77-L80 PolarHBondContact O-N 2.74Å; L77-L80 VanDerWaalsContact O-N 3.16Å; L80-A83 WeakPolarHBondContact O-CB 3.49Å; L80-A83 PolarHBondContact O-N 3.45Å; L80-M127 HydrophobicContact CB-SD 4.15Å |
| 81 | I | 94.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.9 | -47.8 | 174.3 | -66 | 165.1 | 0 | 0 | 0 | 109.9 | L46 L47 L53 V57 L77 T78 A83 S84 G87 L91 | L46-I81 HydrophobicContact CD2-CG1 3.85Å; L47-I81 HydrophobicContact CD1-CG2 3.99Å; L47-I81 HydrophobicContact CD2-CD1 4.35Å; L47-I81 HydrophobicContact CD2-CG1 4.25Å; L47-I81 HydrophobicContact CD2-CG2 3.71Å; L47-I81 HydrophobicContact CG-CG2 3.99Å; L53-I81 HydrophobicContact CB-CD1 3.95Å; V57-I81 HydrophobicContact CG2-CD1 4.19Å; L77-I81 HydrophobicContact CD1-CD1 4.38Å; L77-I81 HydrophobicContact CD1-CG1 4.46Å; L77-I81 HydrophobicContact CG-CD1 4.13Å; L77-I81 WeakPolarHBondContact O-CG1 3.42Å; L77-I81 PolarHBondContact O-N 3.22Å; T78-I81 PolarHBondContact O-N 3.27Å; I81-A83 PolarHBondContact O-N 2.91Å; I81-S84 PolarHBondContact O-OG 2.65Å; I81-G87 WeakPolarHBondContact O-CA 3.21Å; I81-L91 HydrophobicContact CB-CD1 3.92Å; I81-L91 HydrophobicContact CG2-CD1 3.63Å; I81-L91 HydrophobicContact CG2-CD2 4.26Å; I81-L91 HydrophobicContact CG2-CG 3.87Å |
| 82 | G | 94 | Very high | 93.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -2.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T78 G79 S84 H131 | T78-G82 PolarHBondContact O-N 3.2Å; G79-G82 CarbonylContact O-C 3.59Å; G79-G82 PolarHBondContact O-N 2.91Å; G82-S84 PolarHBondContact O-N 3.35Å; G82-H131 PolarHBondContact O-NE2 3.24Å |
| 83 | A | 93.3 | Very high | 93.5 | Very high | 33 Ų | 33 | 35.9 Ų | 35.9 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -26.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G79 L80 I81 M127 K130 | G79-A83 PolarHBondContact O-N 2.98Å; L80-A83 WeakPolarHBondContact O-CB 3.49Å; L80-A83 PolarHBondContact O-N 3.45Å; I81-A83 PolarHBondContact O-N 2.91Å; A83-M127 WeakPolarHBondContact CB-O 3.34Å; A83-K130 HydrophobicContact CB-CG 4.46Å |
| 84 | S | 91.5 | Very high | 93.4 | Very high | 47 Ų | 47 | 38.5 Ų | 38.5 | 33% | 0.329 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -89.6 | 149 | 170.3 | 67.8 | 0 | 0 | 0 | 0 | 111.1 | I81 G82 G87 F88 | I81-S84 PolarHBondContact O-OG 2.65Å; G82-S84 PolarHBondContact O-N 3.35Å; S84-G87 PolarHBondContact OG-N 3.49Å; S84-G87 VanDerWaalsContact OG-N 3.08Å; S84-F88 WeakPolarHBondContact O-CB 3.28Å; S84-F88 PolarHBondContact O-N 2.96Å |
| 85 | E | 91 | Very high | 93.2 | Very high | 119 Ų | 119 | 41.6 Ų | 41.6 | 56% | 0.556 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -63.5 | -42.4 | 177 | -68.8 | -175.3 | 173.2 | 0 | 0 | 111.7 | F88 K89 H131 | E85-F88 WeakPolarHBondContact O-CB 3.24Å; E85-F88 PolarHBondContact O-N 3.45Å; E85-K89 WeakPolarHBondContact O-CB 3.38Å; E85-K89 PolarHBondContact O-N 3.41Å; E85-H131 HydrophobicContact CG-CB 4.09Å |
| 86 | D | 90.4 | Very high | 93.1 | Very high | 122 Ų | 122 | 41.5 Ų | 41.5 | 65% | 0.652 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -62.4 | -48.5 | 177.6 | -66.3 | -38.3 | 0 | 0 | 0 | 112.1 | F88 K89 V90 | D86-F88 VanDerWaalsContact C-N 3.32Å; D86-F88 PolarHBondContact O-N 2.94Å; D86-K89 PolarHBondContact O-N 3.49Å; D86-V90 WeakPolarHBondContact O-CG2 3.49Å; D86-V90 PolarHBondContact O-N 2.88Å; D86-V90 VanDerWaalsContact O-N 3.08Å |
| 87 | G | 92.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.7 | -37.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I81 S84 V90 L91 | I81-G87 WeakPolarHBondContact O-CA 3.21Å; S84-G87 PolarHBondContact OG-N 3.49Å; S84-G87 VanDerWaalsContact OG-N 3.08Å; G87-V90 PolarHBondContact O-N 3.21Å; G87-L91 VanDerWaalsContact O-CG 3.29Å; G87-L91 WeakPolarHBondContact O-CG 3.37Å; G87-L91 PolarHBondContact O-N 2.99Å |
| 88 | F | 94.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 174.7 | -174.7 | -89.8 | 0 | 0 | 0 | 111.7 | S84 E85 D86 V90 L91 K92 L97 I128 H131 E133 A134 F137 | S84-F88 WeakPolarHBondContact O-CB 3.28Å; S84-F88 PolarHBondContact O-N 2.96Å; E85-F88 WeakPolarHBondContact O-CB 3.24Å; E85-F88 PolarHBondContact O-N 3.45Å; D86-F88 VanDerWaalsContact C-N 3.32Å; D86-F88 PolarHBondContact O-N 2.94Å; F88-V90 PolarHBondContact O-N 3.49Å; F88-L91 PolarHBondContact O-N 2.96Å; F88-K92 HydrophobicContact CE1-CD 4.06Å; F88-K92 WeakPolarHBondContact O-CB 3.45Å; F88-K92 PolarHBondContact O-N 2.62Å; F88-L97 HydrophobicContact CD1-CD1 4.27Å; F88-L97 HydrophobicContact CD2-CD1 3.74Å; F88-L97 HydrophobicContact CE1-CD1 3.97Å; F88-L97 HydrophobicContact CE2-CD1 3.42Å; F88-L97 VanDerWaalsContact CE2-CD1 3.42Å; F88-L97 HydrophobicContact CG-CD1 4.14Å; F88-L97 HydrophobicContact CZ-CD1 3.53Å; F88-I128 HydrophobicContact CD2-CB 4.38Å; F88-I128 HydrophobicContact CE2-CB 4.44Å; F88-I128 HydrophobicContact CE2-CD1 4.29Å; F88-H131 AromaticContact CD1-CE1 3.87Å; F88-H131 AromaticContact CD2-CE1 3.64Å; F88-H131 AromaticContact CD2-NE2 3.96Å; F88-H131 AromaticContact CG-CE1 3.47Å; F88-H131 VanDerWaalsContact CG-CE1 3.47Å; F88-H131 WeakPolarHBondContact CG-CE1 3.48Å; F88-H131 AromaticContact CG-NE2 3.83Å; F88-E133 HydrophobicContact CD1-CB 4.37Å; F88-E133 HydrophobicContact CD1-CG 4.15Å; F88-E133 HydrophobicContact CE1-CB 4.2Å; F88-E133 HydrophobicContact CE1-CG 3.75Å; F88-A134 HydrophobicContact CD2-CB 4.11Å; F88-A134 HydrophobicContact CE2-CB 3.64Å; F88-A134 HydrophobicContact CZ-CB 4.12Å; F88-F137 HydrophobicContact CZ-CB 3.74Å; F88-F137 HydrophobicContact CZ-CD1 4.45Å; F88-F137 HydrophobicContact CZ-CG 4.1Å |
| 89 | K | 93.5 | Very high | 92.4 | Very high | 115 Ų | 115 | 49.8 Ų | 49.8 | 50% | 0.5 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 178.1 | -174.8 | -179.5 | 175.8 | -174.5 | 0 | 111.7 | E85 D86 L91 K92 E93 | E85-K89 WeakPolarHBondContact O-CB 3.38Å; E85-K89 PolarHBondContact O-N 3.41Å; D86-K89 PolarHBondContact O-N 3.49Å; K89-L91 PolarHBondContact O-N 3.42Å; K89-K92 WeakPolarHBondContact O-CB 3.48Å; K89-K92 PolarHBondContact O-N 3.38Å; K89-E93 WeakPolarHBondContact CE-OE1 3.42Å; K89-E93 WeakPolarHBondContact O-CG 3.48Å; K89-E93 PolarHBondContact O-N 3.47Å |
| 90 | V | 93.3 | Very high | 92.3 | Very high | 51 Ų | 51 | 49.8 Ų | 49.8 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.4 | -48.6 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L47 V54 D86 G87 F88 K92 E93 C94 | L47-V90 HydrophobicContact CD1-CB 4.09Å; L47-V90 HydrophobicContact CD1-CG1 4.16Å; L47-V90 HydrophobicContact CD1-CG2 4.18Å; V54-V90 HydrophobicContact CG1-CG1 4.22Å; V54-V90 HydrophobicContact CG2-CG1 4.01Å; D86-V90 WeakPolarHBondContact O-CG2 3.49Å; D86-V90 PolarHBondContact O-N 2.88Å; D86-V90 VanDerWaalsContact O-N 3.08Å; G87-V90 PolarHBondContact O-N 3.21Å; F88-V90 PolarHBondContact O-N 3.49Å; V90-K92 VanDerWaalsContact C-N 3.26Å; V90-K92 PolarHBondContact O-N 3.32Å; V90-E93 PolarHBondContact O-N 3.27Å; V90-C94 PolarHBondContact O-N 3.04Å; V90-C94 PolarHBondContact O-SG 2.95Å; V90-C94 VanDerWaalsContact O-SG 3.35Å |
| 91 | L | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -32.4 | 178.5 | -68.4 | 173.3 | 0 | 0 | 0 | 112.9 | T78 I81 G87 F88 K89 S95 V96 L97 | T78-L91 HydrophobicContact CG2-CD1 3.88Å; T78-L91 HydrophobicContact CG2-CD2 4.43Å; T78-L91 WeakPolarHBondContact O-CD1 3.47Å; I81-L91 HydrophobicContact CB-CD1 3.92Å; I81-L91 HydrophobicContact CG2-CD1 3.63Å; I81-L91 HydrophobicContact CG2-CD2 4.26Å; I81-L91 HydrophobicContact CG2-CG 3.87Å; G87-L91 VanDerWaalsContact O-CG 3.29Å; G87-L91 WeakPolarHBondContact O-CG 3.37Å; G87-L91 PolarHBondContact O-N 2.99Å; F88-L91 PolarHBondContact O-N 2.96Å; K89-L91 PolarHBondContact O-N 3.42Å; L91-S95 PolarHBondContact O-N 3.26Å; L91-V96 HydrophobicContact CD2-CB 4.18Å; L91-V96 HydrophobicContact CD2-CG1 4.08Å; L91-V96 PolarHBondContact O-N 3.43Å; L91-L97 HydrophobicContact CB-CD1 4.23Å; L91-L97 HydrophobicContact CB-CD2 3.91Å; L91-L97 HydrophobicContact CB-CG 3.72Å; L91-L97 HydrophobicContact CD1-CD2 4.02Å; L91-L97 PolarHBondContact O-N 3.22Å |
| 92 | K | 92.6 | Very high | 92.2 | Very high | 90 Ų | 90 | 51.6 Ų | 51.6 | 39% | 0.391 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.2 | -45.2 | 175.3 | -175.1 | 174.1 | 169.2 | -179.2 | 0 | 111.6 | F88 K89 V90 C94 S95 L97 E133 | F88-K92 HydrophobicContact CE1-CD 4.06Å; F88-K92 WeakPolarHBondContact O-CB 3.45Å; F88-K92 PolarHBondContact O-N 2.62Å; K89-K92 WeakPolarHBondContact O-CB 3.48Å; K89-K92 PolarHBondContact O-N 3.38Å; V90-K92 VanDerWaalsContact C-N 3.26Å; V90-K92 PolarHBondContact O-N 3.32Å; K92-C94 VanDerWaalsContact C-N 3.34Å; K92-S95 PolarHBondContact O-N 3.44Å; K92-S95 VanDerWaalsContact O-N 3.08Å; K92-L97 HydrophobicContact CB-CD1 3.93Å; K92-E133 IonicContact NZ-OE1 3.5Å; K92-E133 PolarHBondContact NZ-OE1 2.99Å |
| 93 | E | 92.4 | Very high | 92 | Very high | 133 Ų | 133 | 52.1 Ų | 52.1 | 62% | 0.621 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.2 | -39.7 | 177 | -73.4 | 174.3 | -177.3 | 0 | 0 | 111.6 | K89 V90 S95 | K89-E93 WeakPolarHBondContact CE-OE1 3.42Å; K89-E93 WeakPolarHBondContact O-CG 3.48Å; K89-E93 PolarHBondContact O-N 3.47Å; V90-E93 PolarHBondContact O-N 3.27Å; E93-S95 PolarHBondContact O-N 3.27Å |
| 94 | C | 88.9 | Confident | 92 | Very high | 59 Ų | 59 | 56.3 Ų | 56.3 | 40% | 0.399 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 2.3 | 173.9 | -63.1 | 0 | 0 | 0 | 0 | 114.1 | V90 K92 V96 | V90-C94 PolarHBondContact O-N 3.04Å; V90-C94 PolarHBondContact O-SG 2.95Å; V90-C94 VanDerWaalsContact O-SG 3.35Å; K92-C94 VanDerWaalsContact C-N 3.34Å; C94-V96 HydrophobicContact CB-CG2 3.88Å; C94-V96 PolarHBondContact O-N 3.42Å |
| 95 | S | 90.1 | Very high | 91.9 | Very high | 69 Ų | 69 | 54.7 Ų | 54.7 | 48% | 0.483 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 12.5 | -176.6 | -59.6 | 0 | 0 | 0 | 0 | 115.8 | L91 K92 E93 | L91-S95 PolarHBondContact O-N 3.26Å; K92-S95 PolarHBondContact O-N 3.44Å; K92-S95 VanDerWaalsContact O-N 3.08Å; E93-S95 PolarHBondContact O-N 3.27Å |
| 96 | V | 91.9 | Very high | 92 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -44.2 | -178.5 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | V57 S58 T78 L91 C94 K98 L99 V100 | V57-V96 HydrophobicContact CG1-CG1 3.57Å; S58-V96 WeakPolarHBondContact OG-CG2 3.33Å; T78-V96 HydrophobicContact CG2-CG1 4.04Å; L91-V96 HydrophobicContact CD2-CB 4.18Å; L91-V96 HydrophobicContact CD2-CG1 4.08Å; L91-V96 PolarHBondContact O-N 3.43Å; C94-V96 HydrophobicContact CB-CG2 3.88Å; C94-V96 PolarHBondContact O-N 3.42Å; V96-K98 VanDerWaalsContact C-N 3.34Å; V96-K98 PolarHBondContact O-N 3.31Å; V96-L99 PolarHBondContact O-N 3.42Å; V96-L99 VanDerWaalsContact O-N 3.12Å; V96-V100 HydrophobicContact CG1-CG2 3.7Å; V96-V100 WeakPolarHBondContact O-CB 3.35Å; V96-V100 WeakPolarHBondContact O-CG2 3.36Å; V96-V100 PolarHBondContact O-N 3.44Å |
| 97 | L | 92.6 | Very high | 92 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.1 | -43 | -176.9 | -65.9 | 178 | 0 | 0 | 0 | 112.8 | T78 F88 L91 K92 L99 F101 F137 | T78-L97 HydrophobicContact CG2-CD2 4.24Å; F88-L97 HydrophobicContact CD1-CD1 4.27Å; F88-L97 HydrophobicContact CD2-CD1 3.74Å; F88-L97 HydrophobicContact CE1-CD1 3.97Å; F88-L97 HydrophobicContact CE2-CD1 3.42Å; F88-L97 VanDerWaalsContact CE2-CD1 3.42Å; F88-L97 HydrophobicContact CG-CD1 4.14Å; F88-L97 HydrophobicContact CZ-CD1 3.53Å; L91-L97 HydrophobicContact CB-CD1 4.23Å; L91-L97 HydrophobicContact CB-CD2 3.91Å; L91-L97 HydrophobicContact CB-CG 3.72Å; L91-L97 HydrophobicContact CD1-CD2 4.02Å; L91-L97 PolarHBondContact O-N 3.22Å; K92-L97 HydrophobicContact CB-CD1 3.93Å; L97-L99 PolarHBondContact O-N 3.49Å; L97-F101 HydrophobicContact CD2-CD2 4.04Å; L97-F101 HydrophobicContact CD2-CE2 3.85Å; L97-F101 WeakPolarHBondContact O-CB 3.28Å; L97-F101 PolarHBondContact O-N 3.23Å; L97-F137 HydrophobicContact CB-CE1 4.47Å; L97-F137 HydrophobicContact CB-CE2 4.04Å; L97-F137 HydrophobicContact CB-CZ 3.92Å; L97-F137 WeakPolarHBondContact O-CZ 3.32Å |
| 98 | K | 90.4 | Very high | 92 | Very high | 153 Ų | 153 | 55.7 Ų | 55.7 | 67% | 0.665 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -66.4 | -28.2 | -179.8 | -73.3 | -176.6 | 178.5 | 179.4 | 0 | 112.5 | V96 N102 F137 | V96-K98 VanDerWaalsContact C-N 3.34Å; V96-K98 PolarHBondContact O-N 3.31Å; K98-N102 WeakPolarHBondContact O-CB 3.27Å; K98-F137 HydrophobicContact CG-CE2 4.1Å |
| 99 | L | 90.8 | Very high | 91.7 | Very high | 32 Ų | 32 | 57.3 Ų | 57.3 | 17% | 0.168 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -82.8 | -58.7 | 178.9 | -171.9 | 73.1 | 0 | 0 | 0 | 110.7 | A61 F62 V96 L97 F101 N102 H105 | A61-L99 HydrophobicContact CB-CD2 3.94Å; A61-L99 WeakPolarHBondContact O-CD2 3.41Å; F62-L99 HydrophobicContact CD1-CD2 3.6Å; F62-L99 HydrophobicContact CD2-CD2 4.27Å; F62-L99 HydrophobicContact CE1-CD1 4.32Å; F62-L99 HydrophobicContact CE1-CD2 3.35Å; F62-L99 HydrophobicContact CE1-CG 4.46Å; F62-L99 HydrophobicContact CE2-CD2 4.01Å; F62-L99 HydrophobicContact CG-CD2 4.06Å; F62-L99 HydrophobicContact CZ-CD2 3.55Å; V96-L99 PolarHBondContact O-N 3.42Å; V96-L99 VanDerWaalsContact O-N 3.12Å; L97-L99 PolarHBondContact O-N 3.49Å; L99-F101 VanDerWaalsContact C-N 3.32Å; L99-F101 PolarHBondContact O-N 3.47Å; L99-N102 PolarHBondContact O-N 3.14Å; L99-N102 VanDerWaalsContact O-N 3.14Å; L99-H105 VanDerWaalsContact CD1-CE1 3.44Å; L99-H105 WeakPolarHBondContact CD1-CE1 3.4Å |
| 100 | V | 92.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.4 | -40.7 | -175.3 | 163.6 | 0 | 0 | 0 | 0 | 111.6 | A61 L75 T78 V96 W106 | A61-V100 HydrophobicContact CB-CG2 3.6Å; L75-V100 HydrophobicContact CD2-CB 4.34Å; L75-V100 HydrophobicContact CD2-CG1 3.34Å; T78-V100 HydrophobicContact CG2-CG1 3.96Å; V96-V100 HydrophobicContact CG1-CG2 3.7Å; V96-V100 WeakPolarHBondContact O-CB 3.35Å; V96-V100 WeakPolarHBondContact O-CG2 3.36Å; V96-V100 PolarHBondContact O-N 3.44Å; V100-W106 PolarHBondContact O-NE1 3.11Å |
| 101 | F | 94.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 10.2 | -178.7 | -64.3 | -66.6 | 0 | 0 | 0 | 114.4 | T78 L97 L99 P103 W121 L125 I128 F137 L143 | T78-F101 HydrophobicContact CG2-CE2 4.02Å; T78-F101 HydrophobicContact CG2-CZ 4.47Å; L97-F101 HydrophobicContact CD2-CD2 4.04Å; L97-F101 HydrophobicContact CD2-CE2 3.85Å; L97-F101 WeakPolarHBondContact O-CB 3.28Å; L97-F101 PolarHBondContact O-N 3.23Å; L99-F101 VanDerWaalsContact C-N 3.32Å; L99-F101 PolarHBondContact O-N 3.47Å; F101-P103 VanDerWaalsContact O-CD 3.29Å; F101-P103 WeakPolarHBondContact O-CD 3.4Å; F101-W121 AromaticContact CD1-NE1 3.87Å; F101-W121 PolarHBondContact O-NE1 3.22Å; F101-L125 HydrophobicContact CD1-CB 4.09Å; F101-L125 HydrophobicContact CD1-CD1 4.21Å; F101-L125 HydrophobicContact CE1-CB 3.95Å; F101-L125 VanDerWaalsContact CE1-N 3.27Å; F101-L125 HydrophobicContact CG-CD1 4.49Å; F101-I128 HydrophobicContact CD2-CD1 3.96Å; F101-I128 HydrophobicContact CE2-CD1 3.79Å; F101-I128 HydrophobicContact CE2-CG2 4.12Å; F101-I128 HydrophobicContact CZ-CD1 4.27Å; F101-I128 HydrophobicContact CZ-CG2 4.28Å; F101-F137 HydrophobicContact CB-CE1 4.19Å; F101-F137 HydrophobicContact CB-CZ 4.25Å; F101-F137 HydrophobicContact CD2-CE1 4.42Å; F101-L143 HydrophobicContact CB-CD1 4.28Å; F101-L143 VanDerWaalsContact O-CD2 3.32Å; F101-L143 WeakPolarHBondContact O-CD2 3.35Å |
| 102 | N | 92.8 | Very high | 91.3 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 31% | 0.305 | 29% | 0.291 | S | S | . | . | trans | -88.1 | 111.3 | 170.6 | 178.1 | 7.6 | 0 | 0 | 0 | 110.7 | K98 L99 Q104 H105 W106 | K98-N102 WeakPolarHBondContact O-CB 3.27Å; L99-N102 PolarHBondContact O-N 3.14Å; L99-N102 VanDerWaalsContact O-N 3.14Å; N102-Q104 VanDerWaalsContact C-N 3.28Å; N102-Q104 PolarHBondContact O-N 3.37Å; N102-Q104 WeakPolarHBondContact OD1-CB 3.48Å; N102-Q104 PolarHBondContact OD1-N 3.49Å; N102-H105 HydrophobicContact CB-CB 4.13Å; N102-H105 WeakPolarHBondContact O-CB 3.31Å; N102-H105 PolarHBondContact O-N 2.88Å; N102-W106 VanDerWaalsContact O-CD1 3.26Å | ||
| 103 | P | 91.3 | Very high | 91.3 | Very high | 10 Ų | 10 | 58 Ų | 58 | 7% | 0.065 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.9 | -33.4 | 178.7 | -23.2 | 36.8 | 0 | 0 | 0 | 113.2 | F101 H105 W106 Q107 W112 W121 P146 | F101-P103 VanDerWaalsContact O-CD 3.29Å; F101-P103 WeakPolarHBondContact O-CD 3.4Å; P103-H105 VanDerWaalsContact C-N 3.28Å; P103-H105 PolarHBondContact O-N 3.27Å; P103-W106 PolarHBondContact O-N 3.09Å; P103-Q107 WeakPolarHBondContact O-CG 3.42Å; P103-Q107 PolarHBondContact O-N 2.88Å; P103-W112 HydrophobicContact CB-CE3 4.46Å; P103-W112 HydrophobicContact CB-CH2 3.88Å; P103-W112 HydrophobicContact CB-CZ2 4.06Å; P103-W112 HydrophobicContact CB-CZ3 4.1Å; P103-W112 HydrophobicContact CG-CH2 4.25Å; P103-W121 HydrophobicContact CG-CH2 4.39Å; P103-W121 HydrophobicContact CG-CZ2 3.74Å; P103-P146 HydrophobicContact CB-CB 4.43Å; P103-P146 HydrophobicContact CG-CB 3.72Å; P103-P146 HydrophobicContact CG-CG 3.78Å |
| 104 | Q | 91.4 | Very high | 91.2 | Very high | 121 Ų | 121 | 53.9 Ų | 53.9 | 57% | 0.565 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.5 | -37.1 | -178.9 | -66.2 | 176.4 | -10.7 | 0 | 0 | 111.4 | N102 W106 Q107 E108 | N102-Q104 VanDerWaalsContact C-N 3.28Å; N102-Q104 PolarHBondContact O-N 3.37Å; N102-Q104 WeakPolarHBondContact OD1-CB 3.48Å; N102-Q104 PolarHBondContact OD1-N 3.49Å; Q104-W106 VanDerWaalsContact C-N 3.3Å; Q104-W106 PolarHBondContact O-N 3.05Å; Q104-Q107 PolarHBondContact O-N 2.83Å; Q104-Q107 VanDerWaalsContact O-N 3.16Å; Q104-E108 WeakPolarHBondContact O-CB 3.48Å; Q104-E108 WeakPolarHBondContact O-CG 3.32Å; Q104-E108 PolarHBondContact O-N 3.31Å |
| 105 | H | 90.9 | Very high | 91.4 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 6% | 0.06 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57 | -43.8 | 175.6 | 168.8 | 68.9 | 0 | 0 | 0 | 111.9 | A61 Y64 L99 N102 P103 A109 | A61-H105 PolarHBondContact O-NE2 3.42Å; Y64-H105 AromaticContact CE1-CE1 3.4Å; Y64-H105 VanDerWaalsContact CE1-CE1 3.4Å; Y64-H105 WeakPolarHBondContact CE1-CE1 3.21Å; Y64-H105 AromaticContact CE1-NE2 3.85Å; Y64-H105 AromaticContact CZ-CE1 3.69Å; Y64-H105 PolarHBondContact OH-CE1 3.08Å; L99-H105 VanDerWaalsContact CD1-CE1 3.44Å; L99-H105 WeakPolarHBondContact CD1-CE1 3.4Å; N102-H105 HydrophobicContact CB-CB 4.13Å; N102-H105 WeakPolarHBondContact O-CB 3.31Å; N102-H105 PolarHBondContact O-N 2.88Å; P103-H105 VanDerWaalsContact C-N 3.28Å; P103-H105 PolarHBondContact O-N 3.27Å; H105-A109 PolarHBondContact O-N 3.23Å |
| 106 | W | 92.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -76 | -28.1 | 177.9 | -59.1 | 113.1 | 0 | 0 | 0 | 113.5 | L71 L75 V100 N102 P103 Q104 G110 L111 W112 L117 | L71-W106 HydrophobicContact CD1-CZ3 4.41Å; L71-W106 HydrophobicContact CD2-CH2 4.12Å; L71-W106 HydrophobicContact CD2-CZ3 4.01Å; L75-W106 HydrophobicContact CD2-CZ2 3.8Å; V100-W106 PolarHBondContact O-NE1 3.11Å; N102-W106 VanDerWaalsContact O-CD1 3.26Å; P103-W106 PolarHBondContact O-N 3.09Å; Q104-W106 VanDerWaalsContact C-N 3.3Å; Q104-W106 PolarHBondContact O-N 3.05Å; W106-G110 PolarHBondContact O-N 3.42Å; W106-L111 HydrophobicContact CE3-CD1 4Å; W106-L111 HydrophobicContact CZ3-CD1 4.19Å; W106-L111 PolarHBondContact O-N 2.89Å; W106-W112 HydrophobicContact CB-CB 4.38Å; W106-W112 HydrophobicContact CB-CE3 3.86Å; W106-W112 HydrophobicContact CG-CE3 4.43Å; W106-W112 PolarHBondContact O-N 3.42Å; W106-L117 HydrophobicContact CB-CD2 3.77Å; W106-L117 HydrophobicContact CD2-CD2 4.01Å; W106-L117 HydrophobicContact CE3-CD1 4.36Å; W106-L117 HydrophobicContact CE3-CD2 4.09Å; W106-L117 HydrophobicContact CG-CD2 3.88Å |
| 107 | Q | 91.6 | Very high | 91.5 | Very high | 93 Ų | 93 | 52.7 Ų | 52.7 | 44% | 0.435 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.1 | -46 | 174 | -72.9 | 171.4 | -7.3 | 0 | 0 | 111.2 | P103 Q104 A109 G110 W112 | P103-Q107 WeakPolarHBondContact O-CG 3.42Å; P103-Q107 PolarHBondContact O-N 2.88Å; Q104-Q107 PolarHBondContact O-N 2.83Å; Q104-Q107 VanDerWaalsContact O-N 3.16Å; Q107-A109 PolarHBondContact O-N 2.91Å; Q107-G110 PolarHBondContact O-N 3.48Å; Q107-W112 HydrophobicContact CB-CB 4.33Å; Q107-W112 HydrophobicContact CG-CB 3.57Å; Q107-W112 HydrophobicContact CG-CD2 4.31Å; Q107-W112 HydrophobicContact CG-CG 3.57Å |
| 108 | E | 90.7 | Very high | 91.6 | Very high | 165 Ų | 165 | 53.3 Ų | 53.3 | 77% | 0.771 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.9 | -33.3 | 175.9 | -72 | 173.2 | -174.4 | 0 | 0 | 111.9 | Q104 G110 | Q104-E108 WeakPolarHBondContact O-CB 3.48Å; Q104-E108 WeakPolarHBondContact O-CG 3.32Å; Q104-E108 PolarHBondContact O-N 3.31Å; E108-G110 VanDerWaalsContact C-N 3.26Å; E108-G110 PolarHBondContact O-N 2.74Å |
| 109 | A | 88.2 | Confident | 91.9 | Very high | 35 Ų | 35 | 47.3 Ų | 47.3 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y64 H105 Q107 L111 | Y64-A109 HydrophobicContact CD1-CB 3.53Å; Y64-A109 HydrophobicContact CE1-CB 3.81Å; Y64-A109 HydrophobicContact CG-CB 4.3Å; H105-A109 PolarHBondContact O-N 3.23Å; Q107-A109 PolarHBondContact O-N 2.91Å; A109-L111 VanDerWaalsContact C-N 3.26Å; A109-L111 HydrophobicContact CB-CD1 3.89Å; A109-L111 HydrophobicContact CB-CG 4.12Å; A109-L111 PolarHBondContact O-N 3.48Å |
| 110 | G | 90.1 | Very high | 92.1 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 60% | 0.598 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 14.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | W106 Q107 E108 | W106-G110 PolarHBondContact O-N 3.42Å; Q107-G110 PolarHBondContact O-N 3.48Å; E108-G110 VanDerWaalsContact C-N 3.26Å; E108-G110 PolarHBondContact O-N 2.74Å |
| 111 | L | 90.5 | Very high | 92.3 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | trans | -97.7 | -17.9 | -174.6 | -62.4 | 167.8 | 0 | 0 | 0 | 112.7 | Y64 L71 W106 A109 E113 D114 L117 | Y64-L111 HydrophobicContact CD1-CD1 4.41Å; L71-L111 HydrophobicContact CD1-CD1 3.75Å; L71-L111 HydrophobicContact CD1-CD2 4.43Å; W106-L111 HydrophobicContact CE3-CD1 4Å; W106-L111 HydrophobicContact CZ3-CD1 4.19Å; W106-L111 PolarHBondContact O-N 2.89Å; A109-L111 VanDerWaalsContact C-N 3.26Å; A109-L111 HydrophobicContact CB-CD1 3.89Å; A109-L111 HydrophobicContact CB-CG 4.12Å; A109-L111 PolarHBondContact O-N 3.48Å; L111-E113 PolarHBondContact O-N 3.13Å; L111-D114 PolarHBondContact O-N 3.1Å; L111-D114 VanDerWaalsContact O-N 3.13Å; L111-L117 HydrophobicContact CB-CD2 3.75Å; L111-L117 WeakPolarHBondContact O-CD2 3.29Å | ||
| 112 | W | 92.8 | Very high | 92.5 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 9% | 0.087 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.8 | -176.2 | -169.1 | -106.8 | 0 | 0 | 0 | 114.3 | P103 W106 Q107 D114 L117 R118 W121 L150 | P103-W112 HydrophobicContact CB-CE3 4.46Å; P103-W112 HydrophobicContact CB-CH2 3.88Å; P103-W112 HydrophobicContact CB-CZ2 4.06Å; P103-W112 HydrophobicContact CB-CZ3 4.1Å; P103-W112 HydrophobicContact CG-CH2 4.25Å; W106-W112 HydrophobicContact CB-CB 4.38Å; W106-W112 HydrophobicContact CB-CE3 3.86Å; W106-W112 HydrophobicContact CG-CE3 4.43Å; W106-W112 PolarHBondContact O-N 3.42Å; Q107-W112 HydrophobicContact CB-CB 4.33Å; Q107-W112 HydrophobicContact CG-CB 3.57Å; Q107-W112 HydrophobicContact CG-CD2 4.31Å; Q107-W112 HydrophobicContact CG-CG 3.57Å; W112-D114 PolarHBondContact O-N 3.11Å; W112-L117 HydrophobicContact CE3-CD2 4.42Å; W112-R118 HydrophobicContact CD2-CG 4.14Å; W112-R118 HydrophobicContact CE3-CG 4.3Å; W112-R118 HydrophobicContact CH2-CG 4.49Å; W112-R118 HydrophobicContact CZ2-CG 4.31Å; W112-R118 HydrophobicContact CZ3-CG 4.48Å; W112-R118 VanDerWaalsContact O-CD 3.23Å; W112-R118 WeakPolarHBondContact O-CD 3.16Å; W112-R118 VanDerWaalsContact O-CG 3.27Å; W112-R118 WeakPolarHBondContact O-CG 3.43Å; W112-R118 PolarHBondContact O-NH1 2.78Å; W112-W121 AromaticContact CH2-CD2 3.85Å; W112-W121 HydrophobicContact CH2-CD2 3.85Å; W112-W121 HydrophobicContact CH2-CE3 4.01Å; W112-W121 HydrophobicContact CH2-CG 4.1Å; W112-W121 HydrophobicContact CZ3-CB 4.28Å; W112-W121 HydrophobicContact CZ3-CD2 4.17Å; W112-W121 AromaticContact CZ3-CG 3.94Å; W112-W121 HydrophobicContact CZ3-CG 3.94Å; W112-L150 HydrophobicContact CH2-CD1 4.21Å; W112-L150 HydrophobicContact CZ2-CD1 4.06Å; W112-L150 HydrophobicContact CZ2-CD2 3.99Å; W112-L150 HydrophobicContact CZ2-CG 4.4Å |
| 113 | E | 91 | Very high | 92.6 | Very high | 156 Ų | 156 | 45.9 Ų | 45.9 | 73% | 0.729 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -14.3 | 177.8 | -65.8 | -55.8 | 140.7 | 0 | 0 | 113.4 | L111 P115 R118 | L111-E113 PolarHBondContact O-N 3.13Å; E113-P115 WeakPolarHBondContact O-CD 3.38Å; E113-R118 VanDerWaalsContact CA-NH1 3.3Å; E113-R118 PolarHBondContact O-NH1 2.89Å |
| 114 | D | 91.5 | Very high | 92.9 | Very high | 46 Ų | 46 | 45.4 Ų | 45.4 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | trans | -79 | 119 | 175.1 | -166.5 | -34.1 | 0 | 0 | 0 | 111.7 | S68 L111 W112 C116 L117 R118 | S68-D114 WeakPolarHBondContact CB-OD2 3.38Å; S68-D114 PolarHBondContact OG-OD2 3.16Å; L111-D114 PolarHBondContact O-N 3.1Å; L111-D114 VanDerWaalsContact O-N 3.13Å; W112-D114 PolarHBondContact O-N 3.11Å; D114-C116 PolarHBondContact O-N 3.05Å; D114-C116 WeakPolarHBondContact OD1-CA 3.18Å; D114-C116 WeakPolarHBondContact OD1-CB 3.18Å; D114-C116 PolarHBondContact OD1-N 3.35Å; D114-C116 PolarHBondContact OD1-SG 2.82Å; D114-L117 HydrophobicContact CB-CB 4.33Å; D114-L117 WeakPolarHBondContact O-CB 3.24Å; D114-L117 PolarHBondContact O-N 3.22Å; D114-L117 VanDerWaalsContact O-N 3.1Å; D114-R118 PolarHBondContact O-N 3.32Å | ||
| 115 | P | 92.4 | Very high | 93.1 | Very high | 52 Ų | 52 | 39.6 Ų | 39.6 | 34% | 0.338 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.5 | -26.1 | 177.5 | 26.5 | -35.2 | 0 | 0 | 0 | 113.3 | E113 L117 R118 I119 V158 | E113-P115 WeakPolarHBondContact O-CD 3.38Å; P115-L117 VanDerWaalsContact C-N 3.33Å; P115-R118 PolarHBondContact O-N 2.89Å; P115-I119 WeakPolarHBondContact O-CB 3.27Å; P115-I119 VanDerWaalsContact O-CG2 3.28Å; P115-I119 WeakPolarHBondContact O-CG2 3.47Å; P115-I119 PolarHBondContact O-N 3.14Å; P115-V158 HydrophobicContact CB-CG2 4.37Å |
| 116 | C | 90.9 | Very high | 93.4 | Very high | 51 Ų | 51 | 41.7 Ų | 41.7 | 35% | 0.345 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.7 | -37.1 | 175.8 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | S72 D114 I119 G120 | S72-C116 WeakPolarHBondContact CB-O 3.26Å; S72-C116 PolarHBondContact OG-O 2.94Å; D114-C116 PolarHBondContact O-N 3.05Å; D114-C116 WeakPolarHBondContact OD1-CA 3.18Å; D114-C116 WeakPolarHBondContact OD1-CB 3.18Å; D114-C116 PolarHBondContact OD1-N 3.35Å; D114-C116 PolarHBondContact OD1-SG 2.82Å; C116-I119 WeakPolarHBondContact O-CG2 3.39Å; C116-G120 PolarHBondContact O-N 3.32Å; C116-G120 VanDerWaalsContact O-N 3.16Å |
| 117 | L | 93.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.2 | -49 | 174.4 | -167.8 | 80.2 | 0 | 0 | 0 | 110.4 | L71 L75 W106 L111 W112 D114 P115 I119 G120 W121 | L71-L117 HydrophobicContact CB-CD1 3.55Å; L71-L117 HydrophobicContact CD1-CD1 4.03Å; L71-L117 HydrophobicContact CG-CD1 4.41Å; L75-L117 HydrophobicContact CD1-CD1 3.67Å; L75-L117 HydrophobicContact CD1-CG 4.01Å; L75-L117 WeakPolarHBondContact CD1-O 3.36Å; W106-L117 HydrophobicContact CB-CD2 3.77Å; W106-L117 HydrophobicContact CD2-CD2 4.01Å; W106-L117 HydrophobicContact CE3-CD1 4.36Å; W106-L117 HydrophobicContact CE3-CD2 4.09Å; W106-L117 HydrophobicContact CG-CD2 3.88Å; L111-L117 HydrophobicContact CB-CD2 3.75Å; L111-L117 WeakPolarHBondContact O-CD2 3.29Å; W112-L117 HydrophobicContact CE3-CD2 4.42Å; D114-L117 HydrophobicContact CB-CB 4.33Å; D114-L117 WeakPolarHBondContact O-CB 3.24Å; D114-L117 PolarHBondContact O-N 3.22Å; D114-L117 VanDerWaalsContact O-N 3.1Å; P115-L117 VanDerWaalsContact C-N 3.33Å; L117-I119 PolarHBondContact O-N 3.5Å; L117-G120 PolarHBondContact O-N 3.33Å; L117-G120 VanDerWaalsContact O-N 3.14Å; L117-W121 WeakPolarHBondContact O-CB 3.47Å; L117-W121 PolarHBondContact O-N 3.34Å |
| 118 | R | 95.7 | Very high | 93.6 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | -178.9 | -62.1 | -166.7 | -59.1 | -88.6 | 4.8 | 112.3 | W112 E113 D114 P115 W121 I122 L150 D153 V158 | W112-R118 HydrophobicContact CD2-CG 4.14Å; W112-R118 HydrophobicContact CE3-CG 4.3Å; W112-R118 HydrophobicContact CH2-CG 4.49Å; W112-R118 HydrophobicContact CZ2-CG 4.31Å; W112-R118 HydrophobicContact CZ3-CG 4.48Å; W112-R118 VanDerWaalsContact O-CD 3.23Å; W112-R118 WeakPolarHBondContact O-CD 3.16Å; W112-R118 VanDerWaalsContact O-CG 3.27Å; W112-R118 WeakPolarHBondContact O-CG 3.43Å; W112-R118 PolarHBondContact O-NH1 2.78Å; E113-R118 VanDerWaalsContact CA-NH1 3.3Å; E113-R118 PolarHBondContact O-NH1 2.89Å; D114-R118 PolarHBondContact O-N 3.32Å; P115-R118 PolarHBondContact O-N 2.89Å; R118-W121 PolarHBondContact O-N 2.85Å; R118-I122 WeakPolarHBondContact O-CG1 3.18Å; R118-I122 PolarHBondContact O-N 3.19Å; R118-L150 HydrophobicContact CB-CD2 4.36Å; R118-L150 HydrophobicContact CG-CD2 4.39Å; R118-D153 IonicContact CZ-OD1 3.45Å; R118-D153 IonicContact CZ-OD2 2.69Å; R118-D153 VanDerWaalsContact CZ-OD2 3.28Å; R118-D153 IonicContact NE-OD1 2.71Å; R118-D153 IonicContact NE-OD2 2.65Å; R118-D153 PolarHBondContact NE-OD2 3.46Å; R118-D153 IonicContact NH2-OD1 3.34Å; R118-D153 PolarHBondContact NH2-OD1 3.18Å; R118-D153 IonicContact NH2-OD2 3.66Å; R118-D153 PolarHBondContact NH2-OD2 3.11Å; R118-V158 HydrophobicContact CB-CG1 4.07Å; R118-V158 HydrophobicContact CB-CG2 4.16Å |
| 119 | I | 95.1 | Very high | 93.8 | Very high | 27 Ų | 27 | 32 Ų | 32 | 14% | 0.138 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.5 | -40.9 | 175.3 | -169.4 | 61.2 | 0 | 0 | 0 | 111.7 | P115 C116 L117 W121 I122 Q123 F157 V158 A161 | P115-I119 WeakPolarHBondContact O-CB 3.27Å; P115-I119 VanDerWaalsContact O-CG2 3.28Å; P115-I119 WeakPolarHBondContact O-CG2 3.47Å; P115-I119 PolarHBondContact O-N 3.14Å; C116-I119 WeakPolarHBondContact O-CG2 3.39Å; L117-I119 PolarHBondContact O-N 3.5Å; I119-W121 VanDerWaalsContact C-N 3.34Å; I119-W121 PolarHBondContact O-N 3.4Å; I119-I122 PolarHBondContact O-N 3.14Å; I119-Q123 HydrophobicContact CD1-CG 4.2Å; I119-Q123 HydrophobicContact CG1-CG 4.33Å; I119-Q123 VanDerWaalsContact O-CB 3.31Å; I119-Q123 WeakPolarHBondContact O-CB 3.17Å; I119-Q123 VanDerWaalsContact O-CG 3.25Å; I119-Q123 WeakPolarHBondContact O-CG 3.38Å; I119-Q123 PolarHBondContact O-N 3.37Å; I119-F157 HydrophobicContact CD1-CB 4.43Å; I119-F157 WeakPolarHBondContact CD1-O 3.32Å; I119-V158 HydrophobicContact CB-CG2 4.09Å; I119-A161 HydrophobicContact CD1-CB 3.48Å; I119-A161 VanDerWaalsContact CD1-CB 3.48Å |
| 120 | G | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | S72 L75 C116 L117 Q123 G124 | S72-G120 WeakPolarHBondContact OG-CA 3.33Å; L75-G120 WeakPolarHBondContact CB-O 3.43Å; C116-G120 PolarHBondContact O-N 3.32Å; C116-G120 VanDerWaalsContact O-N 3.16Å; L117-G120 PolarHBondContact O-N 3.33Å; L117-G120 VanDerWaalsContact O-N 3.14Å; G120-Q123 PolarHBondContact O-N 3.38Å; G120-G124 PolarHBondContact O-N 2.98Å |
| 121 | W | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -52 | 177.5 | -176.3 | 90.2 | 0 | 0 | 0 | 111.6 | L75 F101 P103 W112 L117 R118 I119 Q123 G124 L125 L143 P146 L150 | L75-W121 HydrophobicContact CD1-CB 4.01Å; F101-W121 AromaticContact CD1-NE1 3.87Å; F101-W121 PolarHBondContact O-NE1 3.22Å; P103-W121 HydrophobicContact CG-CH2 4.39Å; P103-W121 HydrophobicContact CG-CZ2 3.74Å; W112-W121 AromaticContact CH2-CD2 3.85Å; W112-W121 HydrophobicContact CH2-CD2 3.85Å; W112-W121 HydrophobicContact CH2-CE3 4.01Å; W112-W121 HydrophobicContact CH2-CG 4.1Å; W112-W121 HydrophobicContact CZ3-CB 4.28Å; W112-W121 HydrophobicContact CZ3-CD2 4.17Å; W112-W121 AromaticContact CZ3-CG 3.94Å; W112-W121 HydrophobicContact CZ3-CG 3.94Å; L117-W121 WeakPolarHBondContact O-CB 3.47Å; L117-W121 PolarHBondContact O-N 3.34Å; R118-W121 PolarHBondContact O-N 2.85Å; I119-W121 VanDerWaalsContact C-N 3.34Å; I119-W121 PolarHBondContact O-N 3.4Å; W121-Q123 PolarHBondContact O-N 3.35Å; W121-G124 PolarHBondContact O-N 3.49Å; W121-L125 HydrophobicContact CE3-CD2 4.42Å; W121-L125 HydrophobicContact CH2-CD2 3.48Å; W121-L125 VanDerWaalsContact CH2-CD2 3.48Å; W121-L125 HydrophobicContact CZ2-CD2 3.98Å; W121-L125 HydrophobicContact CZ3-CD2 3.73Å; W121-L125 VanDerWaalsContact O-CB 3.31Å; W121-L125 WeakPolarHBondContact O-CB 3.3Å; W121-L125 PolarHBondContact O-N 3.21Å; W121-L143 HydrophobicContact CZ2-CD2 4.32Å; W121-P146 HydrophobicContact CH2-CB 4.3Å; W121-L150 HydrophobicContact CE3-CD1 3.8Å; W121-L150 HydrophobicContact CZ3-CD1 3.62Å |
| 122 | I | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 179.7 | -63.4 | 175.4 | 0 | 0 | 0 | 110.8 | R118 I119 L125 K126 L147 L150 V158 A161 A162 T165 | R118-I122 WeakPolarHBondContact O-CG1 3.18Å; R118-I122 PolarHBondContact O-N 3.19Å; I119-I122 PolarHBondContact O-N 3.14Å; I122-L125 PolarHBondContact O-N 3.42Å; I122-K126 VanDerWaalsContact O-CB 3.32Å; I122-K126 WeakPolarHBondContact O-CB 3.45Å; I122-K126 PolarHBondContact O-N 3.34Å; I122-L147 HydrophobicContact CG2-CD1 4.48Å; I122-L150 HydrophobicContact CD1-CB 3.92Å; I122-L150 HydrophobicContact CD1-CD1 3.58Å; I122-L150 HydrophobicContact CD1-CG 4.25Å; I122-L150 HydrophobicContact CG1-CD1 3.6Å; I122-V158 HydrophobicContact CD1-CG1 3.59Å; I122-V158 WeakPolarHBondContact CD1-O 3.31Å; I122-A161 HydrophobicContact CB-CB 4.33Å; I122-A161 HydrophobicContact CD1-CB 4.47Å; I122-A161 HydrophobicContact CG2-CB 3.71Å; I122-A161 WeakPolarHBondContact CG2-O 3Å; I122-A162 HydrophobicContact CD1-CB 4.03Å; I122-T165 WeakPolarHBondContact CG2-OG1 3.36Å |
| 123 | Q | 96 | Very high | 93.7 | Very high | 62 Ų | 62 | 38.1 Ų | 38.1 | 29% | 0.29 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.1 | -42.4 | -179.5 | -73.6 | -179.2 | -5.9 | 0 | 0 | 111.7 | K76 I119 G120 W121 L125 K126 M127 | K76-Q123 HydrophobicContact CG-CB 4.07Å; I119-Q123 HydrophobicContact CD1-CG 4.2Å; I119-Q123 HydrophobicContact CG1-CG 4.33Å; I119-Q123 VanDerWaalsContact O-CB 3.31Å; I119-Q123 WeakPolarHBondContact O-CB 3.17Å; I119-Q123 VanDerWaalsContact O-CG 3.25Å; I119-Q123 WeakPolarHBondContact O-CG 3.38Å; I119-Q123 PolarHBondContact O-N 3.37Å; G120-Q123 PolarHBondContact O-N 3.38Å; W121-Q123 PolarHBondContact O-N 3.35Å; Q123-L125 VanDerWaalsContact C-N 3.34Å; Q123-L125 PolarHBondContact O-N 3.29Å; Q123-K126 PolarHBondContact O-N 2.67Å; Q123-M127 VanDerWaalsContact O-CG 3.31Å; Q123-M127 WeakPolarHBondContact O-CG 3.35Å; Q123-M127 PolarHBondContact O-N 3.32Å |
| 124 | G | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.4 | -45 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L75 G79 G120 W121 K126 M127 I128 | L75-G124 WeakPolarHBondContact O-CA 3.49Å; G79-G124 VanDerWaalsContact CA-O 3.22Å; G79-G124 WeakPolarHBondContact CA-O 3.38Å; G120-G124 PolarHBondContact O-N 2.98Å; W121-G124 PolarHBondContact O-N 3.49Å; G124-K126 PolarHBondContact O-N 2.94Å; G124-M127 WeakPolarHBondContact O-CB 3.5Å; G124-M127 PolarHBondContact O-N 3.37Å; G124-M127 VanDerWaalsContact O-N 3.14Å; G124-I128 PolarHBondContact O-N 2.97Å; G124-I128 VanDerWaalsContact O-N 3.11Å |
| 125 | L | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -43.5 | 178.6 | -176.1 | 59.7 | 0 | 0 | 0 | 111.6 | F101 W121 I122 Q123 M127 I128 L129 F138 L143 | F101-L125 HydrophobicContact CD1-CB 4.09Å; F101-L125 HydrophobicContact CD1-CD1 4.21Å; F101-L125 HydrophobicContact CE1-CB 3.95Å; F101-L125 VanDerWaalsContact CE1-N 3.27Å; F101-L125 HydrophobicContact CG-CD1 4.49Å; W121-L125 HydrophobicContact CE3-CD2 4.42Å; W121-L125 HydrophobicContact CH2-CD2 3.48Å; W121-L125 VanDerWaalsContact CH2-CD2 3.48Å; W121-L125 HydrophobicContact CZ2-CD2 3.98Å; W121-L125 HydrophobicContact CZ3-CD2 3.73Å; W121-L125 VanDerWaalsContact O-CB 3.31Å; W121-L125 WeakPolarHBondContact O-CB 3.3Å; W121-L125 PolarHBondContact O-N 3.21Å; I122-L125 PolarHBondContact O-N 3.42Å; Q123-L125 VanDerWaalsContact C-N 3.34Å; Q123-L125 PolarHBondContact O-N 3.29Å; L125-M127 VanDerWaalsContact C-N 3.25Å; L125-M127 PolarHBondContact O-N 2.97Å; L125-I128 HydrophobicContact CD1-CD1 3.83Å; L125-I128 HydrophobicContact CD1-CG1 4.13Å; L125-I128 WeakPolarHBondContact O-CG1 3.3Å; L125-I128 PolarHBondContact O-N 3.4Å; L125-L129 HydrophobicContact CD1-CD1 4.42Å; L125-L129 HydrophobicContact CG-CD1 4.06Å; L125-L129 WeakPolarHBondContact O-CD1 3.36Å; L125-L129 VanDerWaalsContact O-CG 3.24Å; L125-L129 WeakPolarHBondContact O-CG 3.43Å; L125-L129 PolarHBondContact O-N 3.16Å; L125-F138 HydrophobicContact CD1-CD2 4.18Å; L125-F138 HydrophobicContact CD2-CD2 4.27Å; L125-F138 HydrophobicContact CD2-CE2 4.08Å; L125-L143 HydrophobicContact CD1-CD1 3.9Å |
| 126 | K | 96.1 | Very high | 93.9 | Very high | 57 Ų | 57 | 26.9 Ų | 26.9 | 25% | 0.248 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.5 | -35.7 | 175.1 | -171.1 | -175.5 | 173.4 | -167.2 | 0 | 112.3 | I122 Q123 G124 T165 Q168 | I122-K126 VanDerWaalsContact O-CB 3.32Å; I122-K126 WeakPolarHBondContact O-CB 3.45Å; I122-K126 PolarHBondContact O-N 3.34Å; Q123-K126 PolarHBondContact O-N 2.67Å; G124-K126 PolarHBondContact O-N 2.94Å; K126-T165 HydrophobicContact CB-CG2 4.05Å; K126-T165 HydrophobicContact CG-CG2 4.48Å; K126-Q168 PolarHBondContact O-NE2 3.18Å |
| 127 | M | 94.8 | Very high | 94 | Very high | 58 Ų | 58 | 25.1 Ų | 25.1 | 29% | 0.286 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -71.8 | -37.8 | 178.9 | -72.8 | 178 | -177.3 | 0 | 0 | 112.6 | G79 L80 A83 Q123 G124 L125 L129 K130 | G79-M127 VanDerWaalsContact C-CB 3.44Å; G79-M127 CarbonylContact O-C 3.58Å; G79-M127 WeakPolarHBondContact O-CB 3.44Å; L80-M127 HydrophobicContact CB-SD 4.15Å; A83-M127 WeakPolarHBondContact CB-O 3.34Å; Q123-M127 VanDerWaalsContact O-CG 3.31Å; Q123-M127 WeakPolarHBondContact O-CG 3.35Å; Q123-M127 PolarHBondContact O-N 3.32Å; G124-M127 WeakPolarHBondContact O-CB 3.5Å; G124-M127 PolarHBondContact O-N 3.37Å; G124-M127 VanDerWaalsContact O-N 3.14Å; L125-M127 VanDerWaalsContact C-N 3.25Å; L125-M127 PolarHBondContact O-N 2.97Å; M127-L129 VanDerWaalsContact C-N 3.34Å; M127-K130 WeakPolarHBondContact O-CG 3.31Å |
| 128 | I | 94.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71.5 | -28.9 | 175.8 | 67.2 | 175.4 | 0 | 0 | 0 | 112.7 | F88 F101 G124 L125 K130 A134 F137 | F88-I128 HydrophobicContact CD2-CB 4.38Å; F88-I128 HydrophobicContact CE2-CB 4.44Å; F88-I128 HydrophobicContact CE2-CD1 4.29Å; F101-I128 HydrophobicContact CD2-CD1 3.96Å; F101-I128 HydrophobicContact CE2-CD1 3.79Å; F101-I128 HydrophobicContact CE2-CG2 4.12Å; F101-I128 HydrophobicContact CZ-CD1 4.27Å; F101-I128 HydrophobicContact CZ-CG2 4.28Å; G124-I128 PolarHBondContact O-N 2.97Å; G124-I128 VanDerWaalsContact O-N 3.11Å; L125-I128 HydrophobicContact CD1-CD1 3.83Å; L125-I128 HydrophobicContact CD1-CG1 4.13Å; L125-I128 WeakPolarHBondContact O-CG1 3.3Å; L125-I128 PolarHBondContact O-N 3.4Å; I128-K130 PolarHBondContact O-N 3.14Å; I128-A134 HydrophobicContact CB-CB 4.42Å; I128-A134 HydrophobicContact CG1-CB 4.49Å; I128-A134 WeakPolarHBondContact O-CB 3.2Å; I128-F137 HydrophobicContact CD1-CD1 4.2Å; I128-F137 HydrophobicContact CD1-CE1 4.19Å |
| 129 | L | 94 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 60.5 | -178.3 | -73.3 | 166.1 | 0 | 0 | 0 | 112.2 | L125 M127 L135 F138 T165 Q168 V169 L172 | L125-L129 HydrophobicContact CD1-CD1 4.42Å; L125-L129 HydrophobicContact CG-CD1 4.06Å; L125-L129 WeakPolarHBondContact O-CD1 3.36Å; L125-L129 VanDerWaalsContact O-CG 3.24Å; L125-L129 WeakPolarHBondContact O-CG 3.43Å; L125-L129 PolarHBondContact O-N 3.16Å; M127-L129 VanDerWaalsContact C-N 3.34Å; L129-L135 HydrophobicContact CD2-CD1 4.4Å; L129-F138 HydrophobicContact CD1-CD2 4.31Å; L129-F138 HydrophobicContact CD2-CB 3.96Å; L129-F138 HydrophobicContact CD2-CD2 4.27Å; L129-F138 HydrophobicContact CD2-CG 4.2Å; L129-T165 HydrophobicContact CD1-CG2 3.9Å; L129-Q168 PolarHBondContact O-NE2 3.1Å; L129-V169 HydrophobicContact CD1-CG2 3.51Å; L129-V169 HydrophobicContact CD2-CG2 4.34Å; L129-L172 HydrophobicContact CB-CD1 4.09Å; L129-L172 HydrophobicContact CD2-CD1 4.42Å; L129-L172 WeakPolarHBondContact O-CD1 3.25Å |
| 130 | K | 90.1 | Very high | 93.7 | Very high | 120 Ų | 120 | 31.4 Ų | 31.4 | 52% | 0.522 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -19 | 178.8 | -62.7 | -65.4 | 179.3 | -164.5 | 0 | 113.2 | A83 M127 I128 | A83-K130 HydrophobicContact CB-CG 4.46Å; M127-K130 WeakPolarHBondContact O-CG 3.31Å; I128-K130 PolarHBondContact O-N 3.14Å |
| 131 | H | 90.3 | Very high | 93.5 | Very high | 17 Ų | 17 | 33.7 Ų | 33.7 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -136.3 | 169.5 | -175.2 | 54 | 68.8 | 0 | 0 | 0 | 111.5 | G82 E85 F88 A134 L135 | G82-H131 PolarHBondContact O-NE2 3.24Å; E85-H131 HydrophobicContact CG-CB 4.09Å; F88-H131 AromaticContact CD1-CE1 3.87Å; F88-H131 AromaticContact CD2-CE1 3.64Å; F88-H131 AromaticContact CD2-NE2 3.96Å; F88-H131 AromaticContact CG-CE1 3.47Å; F88-H131 VanDerWaalsContact CG-CE1 3.47Å; F88-H131 WeakPolarHBondContact CG-CE1 3.48Å; F88-H131 AromaticContact CG-NE2 3.83Å; H131-A134 WeakPolarHBondContact CE1-CB 3.46Å; H131-A134 PolarHBondContact CE1-N 2.93Å; H131-A134 VanDerWaalsContact CE1-N 3.33Å; H131-A134 PolarHBondContact ND1-N 3.44Å; H131-L135 PolarHBondContact O-N 3.08Å |
| 132 | S | 89.1 | Confident | 93.3 | Very high | 84 Ų | 84 | 37.4 Ų | 37.4 | 59% | 0.587 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -68.5 | -32.8 | -173.5 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | L135 S136 | S132-L135 PolarHBondContact O-N 3.06Å; S132-S136 PolarHBondContact O-N 2.87Å |
| 133 | E | 90.6 | Very high | 93.2 | Very high | 56 Ų | 56 | 37.6 Ų | 37.6 | 26% | 0.262 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.5 | -42 | 179.4 | -160.8 | -174.7 | 171.8 | 0 | 0 | 111.2 | F88 K92 L135 S136 F137 | F88-E133 HydrophobicContact CD1-CB 4.37Å; F88-E133 HydrophobicContact CD1-CG 4.15Å; F88-E133 HydrophobicContact CE1-CB 4.2Å; F88-E133 HydrophobicContact CE1-CG 3.75Å; K92-E133 IonicContact NZ-OE1 3.5Å; K92-E133 PolarHBondContact NZ-OE1 2.99Å; E133-L135 VanDerWaalsContact C-N 3.33Å; E133-L135 PolarHBondContact O-N 3.26Å; E133-S136 WeakPolarHBondContact O-CB 3.46Å; E133-S136 PolarHBondContact O-N 2.6Å; E133-S136 PolarHBondContact O-OG 3.41Å; E133-F137 PolarHBondContact O-N 3Å |
| 134 | A | 93.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -37.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F88 I128 H131 S136 F137 F138 | F88-A134 HydrophobicContact CD2-CB 4.11Å; F88-A134 HydrophobicContact CE2-CB 3.64Å; F88-A134 HydrophobicContact CZ-CB 4.12Å; I128-A134 HydrophobicContact CB-CB 4.42Å; I128-A134 HydrophobicContact CG1-CB 4.49Å; I128-A134 WeakPolarHBondContact O-CB 3.2Å; H131-A134 WeakPolarHBondContact CE1-CB 3.46Å; H131-A134 PolarHBondContact CE1-N 2.93Å; H131-A134 VanDerWaalsContact CE1-N 3.33Å; H131-A134 PolarHBondContact ND1-N 3.44Å; A134-S136 VanDerWaalsContact C-N 3.33Å; A134-F137 PolarHBondContact O-N 3.05Å; A134-F138 WeakPolarHBondContact O-CB 3.21Å; A134-F138 PolarHBondContact O-N 3.15Å |
| 135 | L | 93.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.4 | -38.6 | 174.6 | -175.6 | 64.1 | 0 | 0 | 0 | 111.5 | L129 H131 S132 E133 F137 F138 A139 V169 L172 Y202 I205 | L129-L135 HydrophobicContact CD2-CD1 4.4Å; H131-L135 PolarHBondContact O-N 3.08Å; S132-L135 PolarHBondContact O-N 3.06Å; E133-L135 VanDerWaalsContact C-N 3.33Å; E133-L135 PolarHBondContact O-N 3.26Å; L135-F137 VanDerWaalsContact C-N 3.35Å; L135-F138 HydrophobicContact CD1-CD1 4.48Å; L135-F138 WeakPolarHBondContact O-CB 3.34Å; L135-F138 PolarHBondContact O-N 3.07Å; L135-A139 PolarHBondContact O-N 3.27Å; L135-V169 HydrophobicContact CD1-CG1 4.13Å; L135-L172 HydrophobicContact CD1-CB 4.5Å; L135-L172 HydrophobicContact CD2-CB 3.87Å; L135-Y202 HydrophobicContact CD2-CD1 4.12Å; L135-Y202 HydrophobicContact CD2-CD2 3.57Å; L135-Y202 HydrophobicContact CD2-CE1 3.93Å; L135-Y202 HydrophobicContact CD2-CE2 3.36Å; L135-Y202 HydrophobicContact CD2-CG 3.95Å; L135-Y202 HydrophobicContact CG-CD1 4.05Å; L135-Y202 HydrophobicContact CG-CD2 4.37Å; L135-Y202 HydrophobicContact CG-CE1 3.67Å; L135-Y202 HydrophobicContact CG-CE2 4.02Å; L135-Y202 HydrophobicContact CG-CG 4.38Å; L135-I205 HydrophobicContact CD1-CD1 4.5Å |
| 136 | S | 91.8 | Very high | 92.8 | Very high | 15 Ų | 15 | 40 Ų | 40 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 175 | 81.3 | 0 | 0 | 0 | 0 | 111.9 | S132 E133 A134 A139 Q140 Y202 | S132-S136 PolarHBondContact O-N 2.87Å; E133-S136 WeakPolarHBondContact O-CB 3.46Å; E133-S136 PolarHBondContact O-N 2.6Å; E133-S136 PolarHBondContact O-OG 3.41Å; A134-S136 VanDerWaalsContact C-N 3.33Å; S136-A139 PolarHBondContact O-N 2.97Å; S136-Q140 WeakPolarHBondContact O-CB 3.47Å; S136-Q140 WeakPolarHBondContact O-CG 3.32Å; S136-Q140 PolarHBondContact O-N 3.46Å; S136-Y202 PolarHBondContact N-OH 3.18Å |
| 137 | F | 93.8 | Very high | 92.8 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 173.6 | 166.3 | -98.7 | 0 | 0 | 0 | 111.5 | F88 L97 K98 F101 I128 E133 A134 L135 A139 Q140 A141 L143 | F88-F137 HydrophobicContact CZ-CB 3.74Å; F88-F137 HydrophobicContact CZ-CD1 4.45Å; F88-F137 HydrophobicContact CZ-CG 4.1Å; L97-F137 HydrophobicContact CB-CE1 4.47Å; L97-F137 HydrophobicContact CB-CE2 4.04Å; L97-F137 HydrophobicContact CB-CZ 3.92Å; L97-F137 WeakPolarHBondContact O-CZ 3.32Å; K98-F137 HydrophobicContact CG-CE2 4.1Å; F101-F137 HydrophobicContact CB-CE1 4.19Å; F101-F137 HydrophobicContact CB-CZ 4.25Å; F101-F137 HydrophobicContact CD2-CE1 4.42Å; I128-F137 HydrophobicContact CD1-CD1 4.2Å; I128-F137 HydrophobicContact CD1-CE1 4.19Å; E133-F137 PolarHBondContact O-N 3Å; A134-F137 PolarHBondContact O-N 3.05Å; L135-F137 VanDerWaalsContact C-N 3.35Å; F137-A139 VanDerWaalsContact C-N 3.29Å; F137-A139 PolarHBondContact O-N 2.64Å; F137-Q140 PolarHBondContact O-N 2.94Å; F137-A141 HydrophobicContact CE2-CB 4.44Å; F137-A141 HydrophobicContact CZ-CB 4.45Å; F137-A141 WeakPolarHBondContact O-CB 3.48Å; F137-A141 PolarHBondContact O-N 3.12Å; F137-L143 HydrophobicContact CE1-CD1 3.93Å |
| 138 | F | 94.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.2 | -43.8 | 176.7 | 175.8 | -86.1 | 0 | 0 | 0 | 112 | L125 L129 A134 L135 D142 L143 I144 L147 V169 I205 | L125-F138 HydrophobicContact CD1-CD2 4.18Å; L125-F138 HydrophobicContact CD2-CD2 4.27Å; L125-F138 HydrophobicContact CD2-CE2 4.08Å; L129-F138 HydrophobicContact CD1-CD2 4.31Å; L129-F138 HydrophobicContact CD2-CB 3.96Å; L129-F138 HydrophobicContact CD2-CD2 4.27Å; L129-F138 HydrophobicContact CD2-CG 4.2Å; A134-F138 WeakPolarHBondContact O-CB 3.21Å; A134-F138 PolarHBondContact O-N 3.15Å; L135-F138 HydrophobicContact CD1-CD1 4.48Å; L135-F138 WeakPolarHBondContact O-CB 3.34Å; L135-F138 PolarHBondContact O-N 3.07Å; F138-D142 PolarHBondContact O-N 2.94Å; F138-L143 HydrophobicContact CD2-CB 3.6Å; F138-L143 HydrophobicContact CD2-CD1 4.16Å; F138-L143 HydrophobicContact CD2-CG 4.43Å; F138-L143 HydrophobicContact CE2-CB 3.61Å; F138-L143 HydrophobicContact CG-CB 4.24Å; F138-L143 HydrophobicContact CZ-CB 4.28Å; F138-L143 PolarHBondContact O-N 2.77Å; F138-I144 HydrophobicContact CE1-CB 3.92Å; F138-I144 HydrophobicContact CE1-CD1 4.21Å; F138-I144 HydrophobicContact CZ-CB 3.94Å; F138-I144 HydrophobicContact CZ-CD1 3.96Å; F138-L147 HydrophobicContact CE2-CD2 4.05Å; F138-L147 HydrophobicContact CZ-CD2 4.07Å; F138-V169 HydrophobicContact CD1-CG1 4.29Å; F138-V169 HydrophobicContact CE1-CG1 3.8Å; F138-V169 HydrophobicContact CE1-CG2 4.21Å; F138-V169 HydrophobicContact CE2-CG2 4.08Å; F138-V169 HydrophobicContact CZ-CG1 4.22Å; F138-V169 HydrophobicContact CZ-CG2 3.92Å; F138-I205 HydrophobicContact CD1-CD1 3.95Å; F138-I205 HydrophobicContact CE1-CD1 4.03Å |
| 139 | A | 92.6 | Very high | 92.6 | Very high | 39 Ų | 39 | 39.8 Ų | 39.8 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.6 | -44.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L135 S136 F137 A141 D142 Y202 I205 | L135-A139 PolarHBondContact O-N 3.27Å; S136-A139 PolarHBondContact O-N 2.97Å; F137-A139 VanDerWaalsContact C-N 3.29Å; F137-A139 PolarHBondContact O-N 2.64Å; A139-A141 VanDerWaalsContact C-N 3.35Å; A139-A141 PolarHBondContact O-N 2.65Å; A139-D142 PolarHBondContact O-N 3.48Å; A139-Y202 HydrophobicContact CB-CD1 4.15Å; A139-Y202 HydrophobicContact CB-CE1 4.06Å; A139-I205 HydrophobicContact CB-CD1 4.04Å |
| 140 | Q | 91.4 | Very high | 92.6 | Very high | 134 Ų | 134 | 40.1 Ų | 40.1 | 63% | 0.626 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -67.7 | -33.4 | -178.9 | -72.8 | 168.6 | 20.9 | 0 | 0 | 113 | S136 F137 D142 | S136-Q140 WeakPolarHBondContact O-CB 3.47Å; S136-Q140 WeakPolarHBondContact O-CG 3.32Å; S136-Q140 PolarHBondContact O-N 3.46Å; F137-Q140 PolarHBondContact O-N 2.94Å; Q140-D142 VanDerWaalsContact C-N 3.29Å |
| 141 | A | 90.9 | Very high | 92.6 | Very high | 47 Ų | 47 | 34.4 Ų | 34.4 | 39% | 0.388 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 5.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F137 A139 L143 | F137-A141 HydrophobicContact CE2-CB 4.44Å; F137-A141 HydrophobicContact CZ-CB 4.45Å; F137-A141 WeakPolarHBondContact O-CB 3.48Å; F137-A141 PolarHBondContact O-N 3.12Å; A139-A141 VanDerWaalsContact C-N 3.35Å; A139-A141 PolarHBondContact O-N 2.65Å; A141-L143 HydrophobicContact CB-CD1 4.2Å; A141-L143 HydrophobicContact CB-CD2 3.98Å; A141-L143 HydrophobicContact CB-CG 3.74Å; A141-L143 PolarHBondContact O-N 2.71Å |
| 142 | D | 91.6 | Very high | 92.5 | Very high | 79 Ų | 79 | 37.6 Ų | 37.6 | 42% | 0.422 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 38.9 | -177.8 | -156.8 | 26.1 | 0 | 0 | 0 | 114.5 | F138 A139 Q140 I144 P146 K208 | F138-D142 PolarHBondContact O-N 2.94Å; A139-D142 PolarHBondContact O-N 3.48Å; Q140-D142 VanDerWaalsContact C-N 3.29Å; D142-I144 PolarHBondContact O-N 2.96Å; D142-I144 VanDerWaalsContact O-N 3.11Å; D142-P146 WeakPolarHBondContact O-CD 3.31Å; D142-K208 VanDerWaalsContact CG-NZ 3.35Å; D142-K208 IonicContact OD1-NZ 3.85Å; D142-K208 PolarHBondContact OD1-NZ 2.85Å; D142-K208 IonicContact OD2-NZ 2.62Å; D142-K208 PolarHBondContact OD2-NZ 3.39Å |
| 143 | L | 94.7 | Very high | 92.7 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -3 | -174.2 | -59.9 | -177 | 0 | 0 | 0 | 113.8 | F101 W121 L125 F137 F138 A141 L147 | F101-L143 HydrophobicContact CB-CD1 4.28Å; F101-L143 VanDerWaalsContact O-CD2 3.32Å; F101-L143 WeakPolarHBondContact O-CD2 3.35Å; W121-L143 HydrophobicContact CZ2-CD2 4.32Å; L125-L143 HydrophobicContact CD1-CD1 3.9Å; F137-L143 HydrophobicContact CE1-CD1 3.93Å; F138-L143 HydrophobicContact CD2-CB 3.6Å; F138-L143 HydrophobicContact CD2-CD1 4.16Å; F138-L143 HydrophobicContact CD2-CG 4.43Å; F138-L143 HydrophobicContact CE2-CB 3.61Å; F138-L143 HydrophobicContact CG-CB 4.24Å; F138-L143 HydrophobicContact CZ-CB 4.28Å; F138-L143 PolarHBondContact O-N 2.77Å; A141-L143 HydrophobicContact CB-CD1 4.2Å; A141-L143 HydrophobicContact CB-CD2 3.98Å; A141-L143 HydrophobicContact CB-CG 3.74Å; A141-L143 PolarHBondContact O-N 2.71Å; L143-L147 VanDerWaalsContact O-CB 3.29Å; L143-L147 WeakPolarHBondContact O-CB 3.33Å; L143-L147 PolarHBondContact O-N 2.91Å |
| 144 | I | 94.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.2 | -39.9 | 178.2 | -171.1 | 59.2 | 0 | 0 | 0 | 112.4 | F138 D142 L147 L148 L166 I205 K208 V209 | F138-I144 HydrophobicContact CE1-CB 3.92Å; F138-I144 HydrophobicContact CE1-CD1 4.21Å; F138-I144 HydrophobicContact CZ-CB 3.94Å; F138-I144 HydrophobicContact CZ-CD1 3.96Å; D142-I144 PolarHBondContact O-N 2.96Å; D142-I144 VanDerWaalsContact O-N 3.11Å; I144-L147 PolarHBondContact O-N 3.49Å; I144-L148 HydrophobicContact CD1-CG 4.38Å; I144-L148 HydrophobicContact CG1-CD1 4.19Å; I144-L148 HydrophobicContact CG1-CG 4.38Å; I144-L148 VanDerWaalsContact O-CG 3.3Å; I144-L148 WeakPolarHBondContact O-CG 3.43Å; I144-L148 PolarHBondContact O-N 3.42Å; I144-L166 HydrophobicContact CD1-CD2 3.64Å; I144-I205 HydrophobicContact CD1-CG2 4.07Å; I144-I205 HydrophobicContact CG1-CG2 4.21Å; I144-K208 HydrophobicContact CG2-CD 3.62Å; I144-V209 HydrophobicContact CD1-CG2 3.68Å; I144-V209 HydrophobicContact CG1-CG2 4.11Å |
| 145 | E | 92.9 | Very high | 92.6 | Very high | 85 Ų | 85 | 39 Ų | 39 | 40% | 0.397 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.1 | -49.7 | -177.4 | -178.2 | 63.9 | -149.2 | 0 | 0 | 111.8 | L147 L148 Q149 | E145-L147 VanDerWaalsContact C-N 3.26Å; E145-L147 PolarHBondContact O-N 3.42Å; E145-L148 PolarHBondContact O-N 3.48Å; E145-Q149 WeakPolarHBondContact O-CG 3.41Å; E145-Q149 PolarHBondContact O-N 3.14Å; E145-Q149 VanDerWaalsContact O-N 3.1Å; E145-Q149 PolarHBondContact OE1-NE2 2.96Å |
| 146 | P | 94 | Very high | 92.4 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.6 | -39.6 | 171.8 | -24.6 | 33.4 | 0 | 0 | 0 | 112.9 | P103 W121 D142 L148 Q149 L150 | P103-P146 HydrophobicContact CB-CB 4.43Å; P103-P146 HydrophobicContact CG-CB 3.72Å; P103-P146 HydrophobicContact CG-CG 3.78Å; W121-P146 HydrophobicContact CH2-CB 4.3Å; D142-P146 WeakPolarHBondContact O-CD 3.31Å; P146-L148 PolarHBondContact O-N 3.31Å; P146-Q149 PolarHBondContact O-N 2.96Å; P146-L150 VanDerWaalsContact O-CG 3.31Å; P146-L150 WeakPolarHBondContact O-CG 3.46Å; P146-L150 PolarHBondContact O-N 3.44Å |
| 147 | L | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.8 | -36.9 | -179.9 | -177.1 | 61.1 | 0 | 0 | 0 | 112.6 | I122 F138 L143 I144 E145 L150 A162 T165 L166 V169 | I122-L147 HydrophobicContact CG2-CD1 4.48Å; F138-L147 HydrophobicContact CE2-CD2 4.05Å; F138-L147 HydrophobicContact CZ-CD2 4.07Å; L143-L147 VanDerWaalsContact O-CB 3.29Å; L143-L147 WeakPolarHBondContact O-CB 3.33Å; L143-L147 PolarHBondContact O-N 2.91Å; I144-L147 PolarHBondContact O-N 3.49Å; E145-L147 VanDerWaalsContact C-N 3.26Å; E145-L147 PolarHBondContact O-N 3.42Å; L147-L150 PolarHBondContact O-N 2.81Å; L147-A162 HydrophobicContact CD1-CB 4.15Å; L147-T165 HydrophobicContact CD1-CG2 4.21Å; L147-T165 HydrophobicContact CD2-CG2 3.94Å; L147-L166 HydrophobicContact CB-CD2 4.5Å; L147-L166 HydrophobicContact CD2-CD2 3.57Å; L147-L166 HydrophobicContact CD2-CG 3.79Å; L147-L166 HydrophobicContact CG-CD2 3.75Å; L147-L166 HydrophobicContact CG-CG 3.8Å; L147-V169 HydrophobicContact CD2-CG2 4.45Å |
| 148 | L | 93.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67 | -39.6 | 174.5 | -71 | 174.1 | 0 | 0 | 0 | 111.8 | I144 E145 P146 L150 Q151 L166 V209 Y212 | I144-L148 HydrophobicContact CD1-CG 4.38Å; I144-L148 HydrophobicContact CG1-CD1 4.19Å; I144-L148 HydrophobicContact CG1-CG 4.38Å; I144-L148 VanDerWaalsContact O-CG 3.3Å; I144-L148 WeakPolarHBondContact O-CG 3.43Å; I144-L148 PolarHBondContact O-N 3.42Å; E145-L148 PolarHBondContact O-N 3.48Å; P146-L148 PolarHBondContact O-N 3.31Å; L148-L150 VanDerWaalsContact C-N 3.28Å; L148-L150 PolarHBondContact O-N 3.5Å; L148-Q151 VanDerWaalsContact O-CB 3.26Å; L148-Q151 WeakPolarHBondContact O-CB 3.41Å; L148-Q151 PolarHBondContact O-N 3.5Å; L148-Q151 VanDerWaalsContact O-N 3.12Å; L148-L166 HydrophobicContact CD2-CD1 3.97Å; L148-L166 HydrophobicContact CD2-CD2 3.81Å; L148-L166 HydrophobicContact CG-CD2 4.41Å; L148-V209 HydrophobicContact CD2-CG2 4.42Å; L148-Y212 HydrophobicContact CB-CD2 4.2Å; L148-Y212 HydrophobicContact CB-CE2 4.16Å; L148-Y212 HydrophobicContact CB-CG 4.45Å; L148-Y212 HydrophobicContact CD1-CD2 4.19Å; L148-Y212 HydrophobicContact CD1-CG 3.96Å; L148-Y212 HydrophobicContact CD2-CD1 3.68Å; L148-Y212 HydrophobicContact CD2-CE1 4.04Å; L148-Y212 HydrophobicContact CD2-CG 3.96Å; L148-Y212 HydrophobicContact CG-CG 4.35Å; L148-Y212 PolarHBondContact O-OH 2.87Å |
| 149 | Q | 91.9 | Very high | 92.4 | Very high | 108 Ų | 108 | 51 Ų | 51 | 51% | 0.505 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.7 | -36.5 | 176.7 | -68.7 | 172.1 | 5.9 | 0 | 0 | 112.3 | E145 P146 Q151 T152 | E145-Q149 WeakPolarHBondContact O-CG 3.41Å; E145-Q149 PolarHBondContact O-N 3.14Å; E145-Q149 VanDerWaalsContact O-N 3.1Å; E145-Q149 PolarHBondContact OE1-NE2 2.96Å; P146-Q149 PolarHBondContact O-N 2.96Å; Q149-Q151 PolarHBondContact O-N 2.84Å; Q149-T152 PolarHBondContact O-N 3.39Å; Q149-T152 PolarHBondContact O-OG1 3.16Å; Q149-T152 VanDerWaalsContact O-OG1 3.07Å |
| 150 | L | 93.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -69.1 | -11.6 | 177.8 | -65.5 | 170.4 | 0 | 0 | 0 | 113.8 | W112 R118 W121 I122 P146 L147 L148 T152 D153 V158 A159 A162 | W112-L150 HydrophobicContact CH2-CD1 4.21Å; W112-L150 HydrophobicContact CZ2-CD1 4.06Å; W112-L150 HydrophobicContact CZ2-CD2 3.99Å; W112-L150 HydrophobicContact CZ2-CG 4.4Å; R118-L150 HydrophobicContact CB-CD2 4.36Å; R118-L150 HydrophobicContact CG-CD2 4.39Å; W121-L150 HydrophobicContact CE3-CD1 3.8Å; W121-L150 HydrophobicContact CZ3-CD1 3.62Å; I122-L150 HydrophobicContact CD1-CB 3.92Å; I122-L150 HydrophobicContact CD1-CD1 3.58Å; I122-L150 HydrophobicContact CD1-CG 4.25Å; I122-L150 HydrophobicContact CG1-CD1 3.6Å; P146-L150 VanDerWaalsContact O-CG 3.31Å; P146-L150 WeakPolarHBondContact O-CG 3.46Å; P146-L150 PolarHBondContact O-N 3.44Å; L147-L150 PolarHBondContact O-N 2.81Å; L148-L150 VanDerWaalsContact C-N 3.28Å; L148-L150 PolarHBondContact O-N 3.5Å; L150-T152 PolarHBondContact O-N 2.99Å; L150-D153 VanDerWaalsContact O-CB 3.31Å; L150-D153 WeakPolarHBondContact O-CB 3.46Å; L150-D153 PolarHBondContact O-N 3.16Å; L150-V158 HydrophobicContact CB-CG1 4.24Å; L150-V158 HydrophobicContact CD2-CG1 3.96Å; L150-A159 WeakPolarHBondContact O-CA 3.49Å; L150-A162 HydrophobicContact CB-CB 4.06Å |
| 151 | Q | 91 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -66.1 | -30.4 | 173.8 | -172.6 | -177 | 64.2 | 0 | 0 | 112.2 | L148 Q149 D153 A159 N163 Y212 Q230 | L148-Q151 VanDerWaalsContact O-CB 3.26Å; L148-Q151 WeakPolarHBondContact O-CB 3.41Å; L148-Q151 PolarHBondContact O-N 3.5Å; L148-Q151 VanDerWaalsContact O-N 3.12Å; Q149-Q151 PolarHBondContact O-N 2.84Å; Q151-D153 VanDerWaalsContact C-N 3.35Å; Q151-A159 VanDerWaalsContact O-CB 3.32Å; Q151-A159 WeakPolarHBondContact O-CB 3.47Å; Q151-N163 WeakPolarHBondContact CG-OD1 3.45Å; Q151-N163 PolarHBondContact NE2-OD1 3.22Å; Q151-Y212 PolarHBondContact OE1-OH 3.38Å; Q151-Y212 VanDerWaalsContact OE1-OH 3.13Å; Q151-Q230 HydrophobicContact CG-CB 3.87Å |
| 152 | T | 88.2 | Confident | 92.8 | Very high | 84 Ų | 84 | 43.2 Ų | 43.2 | 52% | 0.515 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -98.3 | 19.3 | 179 | 52.3 | 0 | 0 | 0 | 0 | 112.7 | Q149 L150 | Q149-T152 PolarHBondContact O-N 3.39Å; Q149-T152 PolarHBondContact O-OG1 3.16Å; Q149-T152 VanDerWaalsContact O-OG1 3.07Å; L150-T152 PolarHBondContact O-N 2.99Å |
| 153 | D | 92.6 | Very high | 93 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | trans | -60.9 | 146.5 | 178.9 | -159.7 | -82 | 0 | 0 | 0 | 111.9 | R118 L150 Q151 S155 V158 | R118-D153 IonicContact CZ-OD1 3.45Å; R118-D153 IonicContact CZ-OD2 2.69Å; R118-D153 VanDerWaalsContact CZ-OD2 3.28Å; R118-D153 IonicContact NE-OD1 2.71Å; R118-D153 IonicContact NE-OD2 2.65Å; R118-D153 PolarHBondContact NE-OD2 3.46Å; R118-D153 IonicContact NH2-OD1 3.34Å; R118-D153 PolarHBondContact NH2-OD1 3.18Å; R118-D153 IonicContact NH2-OD2 3.66Å; R118-D153 PolarHBondContact NH2-OD2 3.11Å; L150-D153 VanDerWaalsContact O-CB 3.31Å; L150-D153 WeakPolarHBondContact O-CB 3.46Å; L150-D153 PolarHBondContact O-N 3.16Å; Q151-D153 VanDerWaalsContact C-N 3.35Å; D153-S155 PolarHBondContact O-N 3.36Å; D153-S155 WeakPolarHBondContact OD1-CB 3.2Å; D153-S155 PolarHBondContact OD1-N 3.18Å; D153-V158 HydrophobicContact CB-CB 3.93Å; D153-V158 HydrophobicContact CB-CG1 3.7Å | ||
| 154 | S | 90 | Very high | 92.9 | Very high | 117 Ų | 117 | 43 Ų | 43 | 82% | 0.818 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -64.8 | -26.7 | 176.2 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 155 | S | 91.6 | Very high | 93 | Very high | 24 Ų | 24 | 42.9 Ų | 42.9 | 17% | 0.168 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -83.3 | 117.2 | 172.6 | 178 | 0 | 0 | 0 | 0 | 111.3 | D153 F157 V158 A159 | D153-S155 PolarHBondContact O-N 3.36Å; D153-S155 WeakPolarHBondContact OD1-CB 3.2Å; D153-S155 PolarHBondContact OD1-N 3.18Å; S155-F157 PolarHBondContact O-N 2.86Å; S155-F157 VanDerWaalsContact O-N 3.17Å; S155-F157 PolarHBondContact OG-N 3.35Å; S155-V158 PolarHBondContact O-N 2.95Å; S155-V158 VanDerWaalsContact O-N 3.1Å; S155-A159 PolarHBondContact O-N 3.04Å |
| 156 | L | 89.4 | Confident | 93.1 | Very high | 120 Ų | 120 | 38.9 Ų | 38.9 | 63% | 0.628 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -57.6 | -30.6 | 175.2 | -70.1 | 174.2 | 0 | 0 | 0 | 113 | S160 | L156-S160 WeakPolarHBondContact O-CB 3.08Å; L156-S160 PolarHBondContact O-N 3.45Å |
| 157 | F | 91.9 | Very high | 93 | Very high | 164 Ų | 164 | 37.7 Ų | 37.7 | 72% | 0.719 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -69.9 | -42.3 | 177.6 | -62.1 | -73.8 | 0 | 0 | 0 | 111.6 | I119 S155 A161 | I119-F157 HydrophobicContact CD1-CB 4.43Å; I119-F157 WeakPolarHBondContact CD1-O 3.32Å; S155-F157 PolarHBondContact O-N 2.86Å; S155-F157 VanDerWaalsContact O-N 3.17Å; S155-F157 PolarHBondContact OG-N 3.35Å; F157-A161 WeakPolarHBondContact O-CB 3.41Å; F157-A161 PolarHBondContact O-N 3Å |
| 158 | V | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.3 | -50.3 | 177.1 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | P115 R118 I119 I122 L150 D153 S155 S160 A161 A162 | P115-V158 HydrophobicContact CB-CG2 4.37Å; R118-V158 HydrophobicContact CB-CG1 4.07Å; R118-V158 HydrophobicContact CB-CG2 4.16Å; I119-V158 HydrophobicContact CB-CG2 4.09Å; I122-V158 HydrophobicContact CD1-CG1 3.59Å; I122-V158 WeakPolarHBondContact CD1-O 3.31Å; L150-V158 HydrophobicContact CB-CG1 4.24Å; L150-V158 HydrophobicContact CD2-CG1 3.96Å; D153-V158 HydrophobicContact CB-CB 3.93Å; D153-V158 HydrophobicContact CB-CG1 3.7Å; S155-V158 PolarHBondContact O-N 2.95Å; S155-V158 VanDerWaalsContact O-N 3.1Å; V158-S160 VanDerWaalsContact C-N 3.33Å; V158-S160 PolarHBondContact O-N 2.85Å; V158-A161 PolarHBondContact O-N 2.76Å; V158-A162 PolarHBondContact O-N 3.38Å |
| 159 | A | 93.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.7 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L150 Q151 S155 A162 N163 Q230 | L150-A159 WeakPolarHBondContact O-CA 3.49Å; Q151-A159 VanDerWaalsContact O-CB 3.32Å; Q151-A159 WeakPolarHBondContact O-CB 3.47Å; S155-A159 PolarHBondContact O-N 3.04Å; A159-A162 PolarHBondContact O-N 3.13Å; A159-N163 PolarHBondContact O-N 2.91Å; A159-N163 VanDerWaalsContact O-N 3.12Å; A159-Q230 HydrophobicContact CB-CG 4.16Å |
| 160 | S | 92.9 | Very high | 92.9 | Very high | 50 Ų | 50 | 33.7 Ų | 33.7 | 35% | 0.35 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 176.4 | -171.7 | 0 | 0 | 0 | 0 | 112.2 | L156 V158 A162 N163 Q164 | L156-S160 WeakPolarHBondContact O-CB 3.08Å; L156-S160 PolarHBondContact O-N 3.45Å; V158-S160 VanDerWaalsContact C-N 3.33Å; V158-S160 PolarHBondContact O-N 2.85Å; S160-A162 VanDerWaalsContact C-N 3.33Å; S160-A162 PolarHBondContact O-N 3.45Å; S160-N163 PolarHBondContact O-N 3.37Å; S160-Q164 WeakPolarHBondContact O-CG 3.42Å; S160-Q164 PolarHBondContact O-N 2.65Å; S160-Q164 VanDerWaalsContact O-N 3.14Å |
| 161 | A | 95.1 | Very high | 92.8 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 6% | 0.058 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.1 | -37.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I119 I122 F157 V158 Q164 T165 | I119-A161 HydrophobicContact CD1-CB 3.48Å; I119-A161 VanDerWaalsContact CD1-CB 3.48Å; I122-A161 HydrophobicContact CB-CB 4.33Å; I122-A161 HydrophobicContact CD1-CB 4.47Å; I122-A161 HydrophobicContact CG2-CB 3.71Å; I122-A161 WeakPolarHBondContact CG2-O 3Å; F157-A161 WeakPolarHBondContact O-CB 3.41Å; F157-A161 PolarHBondContact O-N 3Å; V158-A161 PolarHBondContact O-N 2.76Å; A161-Q164 PolarHBondContact O-N 3.17Å; A161-T165 WeakPolarHBondContact O-CB 3.38Å; A161-T165 PolarHBondContact O-N 3.19Å; A161-T165 PolarHBondContact O-OG1 3.38Å |
| 162 | A | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.7 | -48.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I122 L147 L150 V158 A159 S160 Q164 T165 L166 | I122-A162 HydrophobicContact CD1-CB 4.03Å; L147-A162 HydrophobicContact CD1-CB 4.15Å; L150-A162 HydrophobicContact CB-CB 4.06Å; V158-A162 PolarHBondContact O-N 3.38Å; A159-A162 PolarHBondContact O-N 3.13Å; S160-A162 VanDerWaalsContact C-N 3.33Å; S160-A162 PolarHBondContact O-N 3.45Å; A162-Q164 PolarHBondContact O-N 3.04Å; A162-T165 PolarHBondContact O-N 3.41Å; A162-T165 VanDerWaalsContact O-N 3.15Å; A162-L166 WeakPolarHBondContact O-CB 3.38Å; A162-L166 WeakPolarHBondContact O-CG 3.37Å; A162-L166 PolarHBondContact O-N 3.07Å |
| 163 | N | 94.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.3 | -45.7 | 176.8 | -77.1 | -16.6 | 0 | 0 | 0 | 112.9 | Q151 A159 S160 T165 A167 Q230 L234 | Q151-N163 WeakPolarHBondContact CG-OD1 3.45Å; Q151-N163 PolarHBondContact NE2-OD1 3.22Å; A159-N163 PolarHBondContact O-N 2.91Å; A159-N163 VanDerWaalsContact O-N 3.12Å; S160-N163 PolarHBondContact O-N 3.37Å; N163-T165 VanDerWaalsContact C-N 3.3Å; N163-T165 PolarHBondContact O-N 3.28Å; N163-A167 WeakPolarHBondContact O-CB 3.43Å; N163-A167 PolarHBondContact O-N 3.47Å; N163-Q230 PolarHBondContact ND2-O 3.37Å; N163-Q230 VanDerWaalsContact ND2-O 3.12Å; N163-Q230 PolarHBondContact ND2-OE1 3.11Å; N163-L234 HydrophobicContact CB-CB 4.47Å; N163-L234 HydrophobicContact CB-CD1 4.28Å; N163-L234 WeakPolarHBondContact O-CD1 3.5Å |
| 164 | Q | 94 | Very high | 92.2 | Very high | 75 Ų | 75 | 35.5 Ų | 35.5 | 35% | 0.35 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.6 | -36.8 | 178.5 | -66.3 | 176.6 | 18.5 | 0 | 0 | 112.4 | S160 A161 A162 Q168 M237 | S160-Q164 WeakPolarHBondContact O-CG 3.42Å; S160-Q164 PolarHBondContact O-N 2.65Å; S160-Q164 VanDerWaalsContact O-N 3.14Å; A161-Q164 PolarHBondContact O-N 3.17Å; A162-Q164 PolarHBondContact O-N 3.04Å; Q164-Q168 PolarHBondContact O-N 3.19Å; Q164-Q168 VanDerWaalsContact O-N 3.13Å; Q164-M237 HydrophobicContact CG-CE 4.38Å |
| 165 | T | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.5 | -43.7 | -179.2 | -52.8 | 0 | 0 | 0 | 0 | 110.9 | I122 K126 L129 L147 A161 A162 N163 A167 Q168 V169 | I122-T165 WeakPolarHBondContact CG2-OG1 3.36Å; K126-T165 HydrophobicContact CB-CG2 4.05Å; K126-T165 HydrophobicContact CG-CG2 4.48Å; L129-T165 HydrophobicContact CD1-CG2 3.9Å; L147-T165 HydrophobicContact CD1-CG2 4.21Å; L147-T165 HydrophobicContact CD2-CG2 3.94Å; A161-T165 WeakPolarHBondContact O-CB 3.38Å; A161-T165 PolarHBondContact O-N 3.19Å; A161-T165 PolarHBondContact O-OG1 3.38Å; A162-T165 PolarHBondContact O-N 3.41Å; A162-T165 VanDerWaalsContact O-N 3.15Å; N163-T165 VanDerWaalsContact C-N 3.3Å; N163-T165 PolarHBondContact O-N 3.28Å; T165-A167 VanDerWaalsContact C-N 3.29Å; T165-A167 PolarHBondContact O-N 3.07Å; T165-Q168 WeakPolarHBondContact O-CB 3.3Å; T165-Q168 PolarHBondContact O-N 3.41Å; T165-Q168 VanDerWaalsContact O-N 3.07Å; T165-V169 WeakPolarHBondContact O-CG2 3.49Å; T165-V169 PolarHBondContact O-N 3.04Å |
| 166 | L | 95 | Very high | 89.5 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.4 | -43.6 | 172.2 | -75.1 | 166.2 | 0 | 0 | 0 | 111.6 | I144 L147 L148 A162 Q168 V169 L170 L234 | I144-L166 HydrophobicContact CD1-CD2 3.64Å; L147-L166 HydrophobicContact CB-CD2 4.5Å; L147-L166 HydrophobicContact CD2-CD2 3.57Å; L147-L166 HydrophobicContact CD2-CG 3.79Å; L147-L166 HydrophobicContact CG-CD2 3.75Å; L147-L166 HydrophobicContact CG-CG 3.8Å; L148-L166 HydrophobicContact CD2-CD1 3.97Å; L148-L166 HydrophobicContact CD2-CD2 3.81Å; L148-L166 HydrophobicContact CG-CD2 4.41Å; A162-L166 WeakPolarHBondContact O-CB 3.38Å; A162-L166 WeakPolarHBondContact O-CG 3.37Å; A162-L166 PolarHBondContact O-N 3.07Å; L166-Q168 VanDerWaalsContact C-N 3.33Å; L166-Q168 PolarHBondContact O-N 3.16Å; L166-V169 PolarHBondContact O-N 3.19Å; L166-L170 PolarHBondContact O-N 3.31Å; L166-L234 HydrophobicContact CB-CD1 4.09Å; L166-L234 HydrophobicContact CB-CD2 4.27Å; L166-L234 HydrophobicContact CD1-CD2 3.74Å |
| 167 | A | 92.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N163 T165 L171 M237 L238 | N163-A167 WeakPolarHBondContact O-CB 3.43Å; N163-A167 PolarHBondContact O-N 3.47Å; T165-A167 VanDerWaalsContact C-N 3.29Å; T165-A167 PolarHBondContact O-N 3.07Å; A167-L171 WeakPolarHBondContact O-CD1 3.33Å; A167-L171 WeakPolarHBondContact O-CG 3.49Å; A167-L171 PolarHBondContact O-N 3.26Å; A167-L171 VanDerWaalsContact O-N 3.07Å; A167-M237 HydrophobicContact CB-CG 4.49Å; A167-M237 HydrophobicContact CB-SD 3.93Å; A167-L238 HydrophobicContact CB-CD2 3.86Å |
| 168 | Q | 92.9 | Very high | 84.5 | Confident | 23 Ų | 23 | 35.3 Ų | 35.3 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | 177.3 | -174.3 | 168.6 | -22.6 | 0 | 0 | 112.3 | K126 L129 Q164 T165 L166 L170 L171 L172 | K126-Q168 PolarHBondContact O-NE2 3.18Å; L129-Q168 PolarHBondContact O-NE2 3.1Å; Q164-Q168 PolarHBondContact O-N 3.19Å; Q164-Q168 VanDerWaalsContact O-N 3.13Å; T165-Q168 WeakPolarHBondContact O-CB 3.3Å; T165-Q168 PolarHBondContact O-N 3.41Å; T165-Q168 VanDerWaalsContact O-N 3.07Å; L166-Q168 VanDerWaalsContact C-N 3.33Å; L166-Q168 PolarHBondContact O-N 3.16Å; Q168-L170 PolarHBondContact O-N 3.06Å; Q168-L171 PolarHBondContact O-N 2.89Å; Q168-L172 WeakPolarHBondContact O-CG 3.28Å; Q168-L172 PolarHBondContact O-N 3.03Å |
| 169 | V | 93.6 | Very high | 81.5 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.1 | -51.1 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | L129 L135 F138 L147 T165 L166 L171 L172 C173 I205 | L129-V169 HydrophobicContact CD1-CG2 3.51Å; L129-V169 HydrophobicContact CD2-CG2 4.34Å; L135-V169 HydrophobicContact CD1-CG1 4.13Å; F138-V169 HydrophobicContact CD1-CG1 4.29Å; F138-V169 HydrophobicContact CE1-CG1 3.8Å; F138-V169 HydrophobicContact CE1-CG2 4.21Å; F138-V169 HydrophobicContact CE2-CG2 4.08Å; F138-V169 HydrophobicContact CZ-CG1 4.22Å; F138-V169 HydrophobicContact CZ-CG2 3.92Å; L147-V169 HydrophobicContact CD2-CG2 4.45Å; T165-V169 WeakPolarHBondContact O-CG2 3.49Å; T165-V169 PolarHBondContact O-N 3.04Å; L166-V169 PolarHBondContact O-N 3.19Å; V169-L171 VanDerWaalsContact C-N 3.33Å; V169-L171 PolarHBondContact O-N 3.06Å; V169-L172 PolarHBondContact O-N 2.81Å; V169-C173 PolarHBondContact O-N 3.44Å; V169-C173 PolarHBondContact O-SG 3.32Å; V169-I205 HydrophobicContact CG1-CG2 3.93Å |
| 170 | L | 91.9 | Very high | 78.4 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.3 | -35.2 | -178.4 | -76 | -179.4 | 0 | 0 | 0 | 113.2 | L166 Q168 C173 Q174 I206 V209 L238 L246 L250 | L166-L170 PolarHBondContact O-N 3.31Å; Q168-L170 PolarHBondContact O-N 3.06Å; L170-C173 PolarHBondContact O-N 3Å; L170-Q174 PolarHBondContact O-N 2.98Å; L170-I206 HydrophobicContact CD2-CG1 4.1Å; L170-V209 HydrophobicContact CD1-CG1 3.98Å; L170-V209 HydrophobicContact CD2-CG2 4.46Å; L170-L238 HydrophobicContact CB-CD2 4.22Å; L170-L238 HydrophobicContact CD1-CD1 3.68Å; L170-L238 HydrophobicContact CD1-CD2 3.57Å; L170-L238 HydrophobicContact CD1-CG 4.3Å; L170-L238 HydrophobicContact CG-CD2 4.5Å; L170-L246 HydrophobicContact CB-CD2 4.15Å; L170-L246 WeakPolarHBondContact O-CD2 3.18Å; L170-L250 HydrophobicContact CD1-CD1 4.44Å |
| 171 | L | 90.4 | Very high | 75.4 | Confident | 39 Ų | 39 | 52.1 Ų | 52.1 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 174.3 | -71.9 | 168.1 | 0 | 0 | 0 | 112.5 | A167 Q168 V169 Q174 S175 R241 V242 | A167-L171 WeakPolarHBondContact O-CD1 3.33Å; A167-L171 WeakPolarHBondContact O-CG 3.49Å; A167-L171 PolarHBondContact O-N 3.26Å; A167-L171 VanDerWaalsContact O-N 3.07Å; Q168-L171 PolarHBondContact O-N 2.89Å; V169-L171 VanDerWaalsContact C-N 3.33Å; V169-L171 PolarHBondContact O-N 3.06Å; L171-Q174 PolarHBondContact O-N 3.19Å; L171-S175 PolarHBondContact O-N 3.31Å; L171-S175 PolarHBondContact O-OG 3.24Å; L171-R241 HydrophobicContact CD1-CB 4.31Å; L171-R241 HydrophobicContact CD2-CB 4.16Å; L171-R241 WeakPolarHBondContact CD2-O 3.3Å; L171-V242 HydrophobicContact CD2-CG1 4.05Å |
| 172 | L | 89.6 | Confident | 72.2 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 173.9 | -68.2 | 173.6 | 0 | 0 | 0 | 111.5 | L129 L135 Q168 V169 Q174 S175 | L129-L172 HydrophobicContact CB-CD1 4.09Å; L129-L172 HydrophobicContact CD2-CD1 4.42Å; L129-L172 WeakPolarHBondContact O-CD1 3.25Å; L135-L172 HydrophobicContact CD1-CB 4.5Å; L135-L172 HydrophobicContact CD2-CB 3.87Å; Q168-L172 WeakPolarHBondContact O-CG 3.28Å; Q168-L172 PolarHBondContact O-N 3.03Å; V169-L172 PolarHBondContact O-N 2.81Å; L172-Q174 PolarHBondContact O-N 3.41Å; L172-Q174 VanDerWaalsContact O-N 3.16Å; L172-S175 PolarHBondContact O-N 3.45Å; L172-S175 VanDerWaalsContact O-N 3.14Å |
| 173 | C | 88.5 | Confident | 69.1 | Low | 22 Ų | 22 | 62.8 Ų | 62.8 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.1 | -26.1 | 174.3 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | V169 L170 Y202 I206 | V169-C173 PolarHBondContact O-N 3.44Å; V169-C173 PolarHBondContact O-SG 3.32Å; L170-C173 PolarHBondContact O-N 3Å; C173-Y202 VanDerWaalsContact SG-CB 3.58Å; C173-I206 HydrophobicContact CB-CD1 4.32Å; C173-I206 HydrophobicContact CB-CG1 4.43Å |
| 174 | Q | 82.1 | Confident | 65.9 | Low | 55 Ų | 55 | 68.2 Ų | 68.2 | 26% | 0.257 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -82.5 | -22.6 | 179.6 | 179.1 | 163.4 | 25.1 | 0 | 0 | 113.8 | L170 L171 L172 P176 G243 L246 | L170-Q174 PolarHBondContact O-N 2.98Å; L171-Q174 PolarHBondContact O-N 3.19Å; L172-Q174 PolarHBondContact O-N 3.41Å; L172-Q174 VanDerWaalsContact O-N 3.16Å; Q174-P176 WeakPolarHBondContact O-CD 3.48Å; Q174-G243 VanDerWaalsContact CD-N 3.32Å; Q174-G243 VanDerWaalsContact NE2-C 3.25Å; Q174-G243 PolarHBondContact NE2-O 2.94Å; Q174-L246 HydrophobicContact CB-CD2 4.26Å |
| 175 | S | 71.9 | Confident | 63.2 | Low | 82 Ų | 82 | 73.8 Ų | 73.8 | 57% | 0.573 | 46% | 0.46 | S | S | * | . | trans | -73.2 | 113.9 | -171.4 | -63 | 0 | 0 | 0 | 0 | 110.7 | L171 L172 S177 | L171-S175 PolarHBondContact O-N 3.31Å; L171-S175 PolarHBondContact O-OG 3.24Å; L172-S175 PolarHBondContact O-N 3.45Å; L172-S175 VanDerWaalsContact O-N 3.14Å; S175-S177 PolarHBondContact O-N 2.56Å | ||
| 176 | P | 53.2 | Low | 59.9 | Low | 110 Ų | 110 | 81.2 Ų | 81.2 | 71% | 0.714 | 50% | 0.499 | S | S | * | . | trans | -70.3 | 131.6 | 168 | 29.6 | -30.4 | 0 | 0 | 0 | 108.1 | Q174 S178 | Q174-P176 WeakPolarHBondContact O-CD 3.48Å; P176-S178 PolarHBondContact O-N 3.3Å | ||
| 177 | S | 44.7 | Very low | 57.1 | Low | 117 Ų | 117 | 91.1 Ų | 91.1 | 82% | 0.818 | 54% | 0.536 | S | S | * | . | trans | -62.8 | 95.5 | 170.4 | 53.5 | 0 | 0 | 0 | 0 | 109.4 | S175 | S175-S177 PolarHBondContact O-N 2.56Š| ||
| 178 | S | 31.1 | Very low | 54.2 | Low | 111 Ų | 111 | 97.7 Ų | 97.7 | 78% | 0.776 | 57% | 0.572 | S | S | * | * | trans | -112.2 | 79.9 | 168.8 | 78.6 | 0 | 0 | 0 | 0 | 110.6 | P176 | P176-S178 PolarHBondContact O-N 3.3Š| ||
| 179 | V | 32 | Very low | 51.2 | Low | 155 Ų | 155 | 104.8 Ų | 104.8 | 94% | 0.939 | 61% | 0.61 | S | S | * | * | trans | -94.5 | 111.8 | 150.1 | 177.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 180 | G | 28.2 | Very low | 48.3 | Very low | 74 Ų | 74 | 112.9 Ų | 112.9 | 76% | 0.763 | 65% | 0.647 | S | S | * | * | trans | 176.4 | 79.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 181 | H | 29.4 | Very low | 45.3 | Very low | 175 Ų | 175 | 120.6 Ų | 120.6 | 81% | 0.81 | 68% | 0.683 | S | S | * | * | trans | -66.7 | 145.7 | 174.7 | -98.3 | -45.9 | 0 | 0 | 0 | 112.8 | ||||
| 182 | N | 28.7 | Very low | 42.3 | Very low | 150 Ų | 150 | 125.3 Ų | 125.3 | 80% | 0.802 | 71% | 0.708 | S | S | * | * | trans | 61.3 | 131.4 | 149.6 | -66.5 | -13.7 | 0 | 0 | 0 | 119.9 | ||||
| 183 | G | 31.7 | Very low | 39.2 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | trans | -66.7 | 149.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 184 | S | 26.8 | Very low | 36.6 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -161.3 | 129.4 | 143.7 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 185 | K | 36.3 | Very low | 34 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -68.9 | 123.3 | 165.2 | -68.2 | 172.7 | 175.5 | 176.2 | 0 | 107.7 | ||||
| 186 | N | 27.8 | Very low | 32 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | 179.4 | 162.2 | 132.6 | -93.6 | -25.6 | 0 | 0 | 0 | 113.6 | ||||
| 187 | R | 34.5 | Very low | 31 | Very low | 208 Ų | 208 | 141.6 Ų | 141.6 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -77.7 | 154.9 | -158.4 | -90 | 179.4 | -86.6 | -156.3 | -3.8 | 117.4 | ||||
| 188 | D | 31.9 | Very low | 30.7 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | 65 | 139.3 | 140.1 | -53.4 | -22.9 | 0 | 0 | 0 | 123 | ||||
| 189 | L | 30.7 | Very low | 31.2 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | 113 | 127.5 | 153.1 | -73.6 | 148.7 | 0 | 0 | 0 | 119 | ||||
| 190 | E | 33.4 | Very low | 32.5 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -69.3 | 138.7 | -175 | -57.7 | 169.5 | 137.5 | 0 | 0 | 113.5 | ||||
| 191 | H | 29.3 | Very low | 34.3 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | 162.7 | 132.9 | 116.4 | -100.6 | -14.4 | 0 | 0 | 0 | 113.1 | |||||
| 192 | N | 26.8 | Very low | 36.9 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | trans | 50 | 111.8 | 146.4 | -61.7 | -24.9 | 0 | 0 | 0 | 120.3 | ||||
| 193 | S | 24.6 | Very low | 39.5 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | 170.1 | 125.8 | 97.8 | 60.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 194 | A | 33.4 | Very low | 42.2 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 89% | 0.893 | 70% | 0.702 | S | S | * | * | trans | 23.7 | 93.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 195 | S | 26.8 | Very low | 45.3 | Very low | 96 Ų | 96 | 123.9 Ų | 123.9 | 67% | 0.671 | 67% | 0.666 | S | S | * | * | trans | -138.3 | 90.1 | 149.6 | 173.8 | 0 | 0 | 0 | 0 | 106.9 | E197 | S195-E197 PolarHBondContact O-N 3.11Š| ||
| 196 | M | 31.2 | Very low | 47.9 | Very low | 173 Ų | 173 | 116.3 Ų | 116.3 | 85% | 0.852 | 63% | 0.634 | S | S | * | * | trans | -73.3 | 81.7 | 164.3 | -83.7 | -172 | 81.3 | 0 | 0 | 107.2 | T198 | M196-T198 HydrophobicContact CE-CG2 4.5Å; M196-T198 PolarHBondContact O-N 3Å | ||
| 197 | E | 32.2 | Very low | 50.9 | Low | 162 Ų | 162 | 112.4 Ų | 112.4 | 76% | 0.757 | 62% | 0.616 | S | S | * | * | trans | -71.7 | 90.3 | 158.6 | -82.9 | -179 | 170.7 | 0 | 0 | 107.4 | S195 T199 | S195-E197 PolarHBondContact O-N 3.11Å; E197-T199 PolarHBondContact O-N 2.98Å | ||
| 198 | T | 37.1 | Very low | 53.6 | Low | 96 Ų | 96 | 106.5 Ų | 106.5 | 59% | 0.589 | 60% | 0.596 | S | S | * | * | trans | -58.5 | 100.2 | 168.1 | 33.7 | 0 | 0 | 0 | 0 | 108.7 | M196 Q200 | M196-T198 HydrophobicContact CE-CG2 4.5Å; M196-T198 PolarHBondContact O-N 3Å; T198-Q200 PolarHBondContact O-N 3.28Å | ||
| 199 | T | 43.3 | Very low | 56.5 | Low | 132 Ų | 132 | 100 Ų | 100 | 81% | 0.81 | 56% | 0.561 | S | S | * | * | trans | -65.2 | 82.3 | 161.9 | -11.6 | 0 | 0 | 0 | 0 | 106.8 | E197 N201 | E197-T199 PolarHBondContact O-N 2.98Å; T199-N201 PolarHBondContact O-N 2.84Å | ||
| 200 | Q | 57.9 | Low | 59.4 | Low | 103 Ų | 103 | 92.1 Ų | 92.1 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | trans | -71.7 | 102.7 | -175.2 | -146.4 | 148.8 | 5.9 | 0 | 0 | 107.6 | T198 Y202 | T198-Q200 PolarHBondContact O-N 3.28Å; Q200-Y202 VanDerWaalsContact O-CD2 3.28Å; Q200-Y202 WeakPolarHBondContact O-CD2 3.23Å; Q200-Y202 WeakPolarHBondContact O-CE2 3.27Å; Q200-Y202 PolarHBondContact O-N 3.36Å | ||
| 201 | N | 66.3 | Low | 62.1 | Low | 129 Ų | 129 | 87.7 Ų | 87.7 | 69% | 0.69 | 50% | 0.502 | S | S | * | . | trans | -74.8 | 108.3 | -176.6 | -172.5 | -6 | 0 | 0 | 0 | 109.4 | T199 S203 | T199-N201 PolarHBondContact O-N 2.84Å; N201-S203 PolarHBondContact O-N 3.15Å; N201-S203 VanDerWaalsContact O-N 3.08Å; N201-S203 VanDerWaalsContact OD1-CB 3.27Å; N201-S203 WeakPolarHBondContact OD1-CB 3.42Å; N201-S203 PolarHBondContact OD1-N 3.1Å; N201-S203 VanDerWaalsContact OD1-N 3.1Å | ||
| 202 | Y | 84.2 | Confident | 65 | Low | 38 Ų | 38 | 82 Ų | 82 | 15% | 0.149 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 21.4 | 177.6 | -60.4 | -74.1 | 0 | 0 | 0 | 113.5 | L135 S136 A139 C173 Q200 G204 I205 I206 | L135-Y202 HydrophobicContact CD2-CD1 4.12Å; L135-Y202 HydrophobicContact CD2-CD2 3.57Å; L135-Y202 HydrophobicContact CD2-CE1 3.93Å; L135-Y202 HydrophobicContact CD2-CE2 3.36Å; L135-Y202 HydrophobicContact CD2-CG 3.95Å; L135-Y202 HydrophobicContact CG-CD1 4.05Å; L135-Y202 HydrophobicContact CG-CD2 4.37Å; L135-Y202 HydrophobicContact CG-CE1 3.67Å; L135-Y202 HydrophobicContact CG-CE2 4.02Å; L135-Y202 HydrophobicContact CG-CG 4.38Å; S136-Y202 PolarHBondContact N-OH 3.18Å; A139-Y202 HydrophobicContact CB-CD1 4.15Å; A139-Y202 HydrophobicContact CB-CE1 4.06Å; C173-Y202 VanDerWaalsContact SG-CB 3.58Å; Q200-Y202 VanDerWaalsContact O-CD2 3.28Å; Q200-Y202 WeakPolarHBondContact O-CD2 3.23Å; Q200-Y202 WeakPolarHBondContact O-CE2 3.27Å; Q200-Y202 PolarHBondContact O-N 3.36Å; Y202-G204 PolarHBondContact O-N 3.36Å; Y202-I205 HydrophobicContact CD1-CD1 4.04Å; Y202-I205 WeakPolarHBondContact O-CB 3.46Å; Y202-I205 PolarHBondContact O-N 2.97Å; Y202-I206 PolarHBondContact O-N 3.27Å |
| 203 | S | 84 | Confident | 68.1 | Low | 55 Ų | 55 | 75.4 Ų | 75.4 | 39% | 0.385 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -53.7 | -35.9 | 179.2 | 58.1 | 0 | 0 | 0 | 0 | 113.1 | N201 I205 I206 T207 | N201-S203 PolarHBondContact O-N 3.15Å; N201-S203 VanDerWaalsContact O-N 3.08Å; N201-S203 VanDerWaalsContact OD1-CB 3.27Å; N201-S203 WeakPolarHBondContact OD1-CB 3.42Å; N201-S203 PolarHBondContact OD1-N 3.1Å; N201-S203 VanDerWaalsContact OD1-N 3.1Å; S203-I205 VanDerWaalsContact C-N 3.29Å; S203-I205 PolarHBondContact O-N 3.13Å; S203-I206 PolarHBondContact O-N 2.9Å; S203-I206 VanDerWaalsContact O-N 3.16Å; S203-T207 PolarHBondContact O-N 3.43Å; S203-T207 PolarHBondContact O-OG1 2.78Å; S203-T207 VanDerWaalsContact O-OG1 3.06Å |
| 204 | G | 88.1 | Confident | 71.1 | Confident | 44 Ų | 44 | 73 Ų | 73 | 45% | 0.454 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.7 | -37.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y202 K208 | Y202-G204 PolarHBondContact O-N 3.36Å; G204-K208 WeakPolarHBondContact O-CB 3.21Å; G204-K208 WeakPolarHBondContact O-CG 3.49Å; G204-K208 PolarHBondContact O-N 3.22Å |
| 205 | I | 91.5 | Very high | 73.6 | Confident | 13 Ų | 13 | 75 Ų | 75 | 7% | 0.067 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.8 | -46.3 | 176 | -62.5 | 174.6 | 0 | 0 | 0 | 109.7 | L135 F138 A139 I144 V169 Y202 S203 T207 K208 V209 | L135-I205 HydrophobicContact CD1-CD1 4.5Å; F138-I205 HydrophobicContact CD1-CD1 3.95Å; F138-I205 HydrophobicContact CE1-CD1 4.03Å; A139-I205 HydrophobicContact CB-CD1 4.04Å; I144-I205 HydrophobicContact CD1-CG2 4.07Å; I144-I205 HydrophobicContact CG1-CG2 4.21Å; V169-I205 HydrophobicContact CG1-CG2 3.93Å; Y202-I205 HydrophobicContact CD1-CD1 4.04Å; Y202-I205 WeakPolarHBondContact O-CB 3.46Å; Y202-I205 PolarHBondContact O-N 2.97Å; S203-I205 VanDerWaalsContact C-N 3.29Å; S203-I205 PolarHBondContact O-N 3.13Å; I205-T207 VanDerWaalsContact C-N 3.34Å; I205-T207 PolarHBondContact O-N 3.35Å; I205-K208 PolarHBondContact O-N 3.18Å; I205-V209 HydrophobicContact CG2-CG2 4.42Å; I205-V209 WeakPolarHBondContact O-CG2 3.35Å; I205-V209 PolarHBondContact O-N 3.25Å |
| 206 | I | 90.6 | Very high | 76.4 | Confident | 33 Ų | 33 | 72.2 Ų | 72.2 | 17% | 0.169 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | -179.9 | -62.8 | 168.3 | 0 | 0 | 0 | 110.5 | L170 C173 Y202 S203 V209 S210 L246 T249 | L170-I206 HydrophobicContact CD2-CG1 4.1Å; C173-I206 HydrophobicContact CB-CD1 4.32Å; C173-I206 HydrophobicContact CB-CG1 4.43Å; Y202-I206 PolarHBondContact O-N 3.27Å; S203-I206 PolarHBondContact O-N 2.9Å; S203-I206 VanDerWaalsContact O-N 3.16Å; I206-V209 PolarHBondContact O-N 3.16Å; I206-S210 VanDerWaalsContact O-CB 3.31Å; I206-S210 WeakPolarHBondContact O-CB 3.34Å; I206-S210 PolarHBondContact O-N 3.43Å; I206-S210 PolarHBondContact O-OG 2.98Å; I206-L246 HydrophobicContact CD1-CD1 4.12Å; I206-L246 HydrophobicContact CG1-CD1 4.14Å; I206-L246 HydrophobicContact CG2-CD1 3.66Å; I206-T249 HydrophobicContact CG2-CG2 4.39Å |
| 207 | T | 90.8 | Very high | 78.9 | Confident | 75 Ų | 75 | 64 Ų | 64 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.2 | -48.6 | 177.5 | -55 | 0 | 0 | 0 | 0 | 111.5 | S203 I205 V209 S210 D211 | S203-T207 PolarHBondContact O-N 3.43Å; S203-T207 PolarHBondContact O-OG1 2.78Å; S203-T207 VanDerWaalsContact O-OG1 3.06Å; I205-T207 VanDerWaalsContact C-N 3.34Å; I205-T207 PolarHBondContact O-N 3.35Å; T207-V209 VanDerWaalsContact C-N 3.33Å; T207-V209 PolarHBondContact O-N 2.98Å; T207-S210 PolarHBondContact O-N 3.2Å; T207-D211 WeakPolarHBondContact O-CB 3.49Å; T207-D211 PolarHBondContact O-N 2.74Å |
| 208 | K | 92.1 | Very high | 81.2 | Confident | 83 Ų | 83 | 56.9 Ų | 56.9 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.9 | -45.7 | 177.6 | -78 | -175.7 | 177.2 | -165.2 | 0 | 111.8 | D142 I144 G204 I205 Y212 | D142-K208 VanDerWaalsContact CG-NZ 3.35Å; D142-K208 IonicContact OD1-NZ 3.85Å; D142-K208 PolarHBondContact OD1-NZ 2.85Å; D142-K208 IonicContact OD2-NZ 2.62Å; D142-K208 PolarHBondContact OD2-NZ 3.39Å; I144-K208 HydrophobicContact CG2-CD 3.62Å; G204-K208 WeakPolarHBondContact O-CB 3.21Å; G204-K208 WeakPolarHBondContact O-CG 3.49Å; G204-K208 PolarHBondContact O-N 3.22Å; I205-K208 PolarHBondContact O-N 3.18Å; K208-Y212 WeakPolarHBondContact O-CB 3.48Å; K208-Y212 PolarHBondContact O-N 3.05Å |
| 209 | V | 92 | Very high | 83.3 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | I144 L148 L170 I205 I206 T207 D211 Y212 L213 | I144-V209 HydrophobicContact CD1-CG2 3.68Å; I144-V209 HydrophobicContact CG1-CG2 4.11Å; L148-V209 HydrophobicContact CD2-CG2 4.42Å; L170-V209 HydrophobicContact CD1-CG1 3.98Å; L170-V209 HydrophobicContact CD2-CG2 4.46Å; I205-V209 HydrophobicContact CG2-CG2 4.42Å; I205-V209 WeakPolarHBondContact O-CG2 3.35Å; I205-V209 PolarHBondContact O-N 3.25Å; I206-V209 PolarHBondContact O-N 3.16Å; T207-V209 VanDerWaalsContact C-N 3.33Å; T207-V209 PolarHBondContact O-N 2.98Å; V209-D211 PolarHBondContact O-N 3.18Å; V209-Y212 PolarHBondContact O-N 2.96Å; V209-L213 HydrophobicContact CG1-CD1 3.72Å; V209-L213 HydrophobicContact CG1-CG 4.12Å; V209-L213 WeakPolarHBondContact O-CB 3.42Å; V209-L213 WeakPolarHBondContact O-CG 3.48Å; V209-L213 PolarHBondContact O-N 3.43Å |
| 210 | S | 91.1 | Very high | 85.1 | Confident | 8 Ų | 8 | 55 Ų | 55 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 179.7 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | I206 T207 L213 N214 | I206-S210 VanDerWaalsContact O-CB 3.31Å; I206-S210 WeakPolarHBondContact O-CB 3.34Å; I206-S210 PolarHBondContact O-N 3.43Å; I206-S210 PolarHBondContact O-OG 2.98Å; T207-S210 PolarHBondContact O-N 3.2Å; S210-L213 PolarHBondContact O-N 3.38Å; S210-N214 WeakPolarHBondContact O-CB 3.31Å; S210-N214 PolarHBondContact O-N 3.15Å |
| 211 | D | 90.9 | Very high | 86.1 | Confident | 78 Ų | 78 | 55.7 Ų | 55.7 | 42% | 0.417 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 177 | -75 | -15.2 | 0 | 0 | 0 | 111.9 | T207 V209 K215 | T207-D211 WeakPolarHBondContact O-CB 3.49Å; T207-D211 PolarHBondContact O-N 2.74Å; V209-D211 PolarHBondContact O-N 3.18Å; D211-K215 WeakPolarHBondContact O-CB 3.39Å; D211-K215 VanDerWaalsContact O-CG 3.29Å; D211-K215 WeakPolarHBondContact O-CG 3.29Å; D211-K215 PolarHBondContact O-N 3.5Å; D211-K215 VanDerWaalsContact O-N 3.13Å |
| 212 | Y | 91 | Very high | 86.7 | Confident | 43 Ų | 43 | 56.6 Ų | 56.6 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 176.3 | 174.2 | -89.1 | 0 | 0 | 0 | 111.6 | L148 Q151 K208 V209 K215 S216 | L148-Y212 HydrophobicContact CB-CD2 4.2Å; L148-Y212 HydrophobicContact CB-CE2 4.16Å; L148-Y212 HydrophobicContact CB-CG 4.45Å; L148-Y212 HydrophobicContact CD1-CD2 4.19Å; L148-Y212 HydrophobicContact CD1-CG 3.96Å; L148-Y212 HydrophobicContact CD2-CD1 3.68Å; L148-Y212 HydrophobicContact CD2-CE1 4.04Å; L148-Y212 HydrophobicContact CD2-CG 3.96Å; L148-Y212 HydrophobicContact CG-CG 4.35Å; L148-Y212 PolarHBondContact O-OH 2.87Å; Q151-Y212 PolarHBondContact OE1-OH 3.38Å; Q151-Y212 VanDerWaalsContact OE1-OH 3.13Å; K208-Y212 WeakPolarHBondContact O-CB 3.48Å; K208-Y212 PolarHBondContact O-N 3.05Å; V209-Y212 PolarHBondContact O-N 2.96Å; Y212-K215 PolarHBondContact O-N 3.41Å; Y212-S216 VanDerWaalsContact O-CB 3.27Å; Y212-S216 WeakPolarHBondContact O-CB 3.47Å; Y212-S216 PolarHBondContact O-N 3.47Å; Y212-S216 PolarHBondContact O-OG 3.31Å |
| 213 | L | 90.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -49 | 177.6 | -69.9 | 169.7 | 0 | 0 | 0 | 110.8 | V209 S210 K215 S216 V217 I231 L234 L235 L238 L250 V254 | V209-L213 HydrophobicContact CG1-CD1 3.72Å; V209-L213 HydrophobicContact CG1-CG 4.12Å; V209-L213 WeakPolarHBondContact O-CB 3.42Å; V209-L213 WeakPolarHBondContact O-CG 3.48Å; V209-L213 PolarHBondContact O-N 3.43Å; S210-L213 PolarHBondContact O-N 3.38Å; L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 PolarHBondContact O-N 3.33Å; L213-S216 PolarHBondContact O-N 3.14Å; L213-V217 WeakPolarHBondContact O-CG2 3.38Å; L213-V217 PolarHBondContact O-N 3.33Å; L213-V217 VanDerWaalsContact O-N 3.09Å; L213-I231 HydrophobicContact CD2-CG2 3.87Å; L213-L234 HydrophobicContact CD2-CD2 4.06Å; L213-L235 HydrophobicContact CD1-CD2 3.84Å; L213-L235 HydrophobicContact CD2-CD2 4.15Å; L213-L235 HydrophobicContact CD2-CG 4.16Å; L213-L235 HydrophobicContact CG-CD2 4.42Å; L213-L238 HydrophobicContact CD1-CD1 4.42Å; L213-L250 HydrophobicContact CD1-CD2 3.93Å; L213-V254 HydrophobicContact CB-CG1 3.8Å |
| 214 | N | 87.9 | Confident | 86.5 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56.3 | -45 | 179.9 | -176.9 | 19.4 | 0 | 0 | 0 | 112.2 | S210 A253 S257 | S210-N214 WeakPolarHBondContact O-CB 3.31Å; S210-N214 PolarHBondContact O-N 3.15Å; N214-A253 WeakPolarHBondContact CB-O 3.48Å; N214-A253 PolarHBondContact OD1-O 3.32Å; N214-S257 PolarHBondContact O-OG 3.12Å; N214-S257 PolarHBondContact OD1-OG 2.85Å |
| 215 | K | 86.7 | Confident | 86.3 | Confident | 152 Ų | 152 | 59 Ų | 59 | 66% | 0.661 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -71.3 | -33.5 | -178.4 | -72 | 171.3 | -175.1 | 170.5 | 0 | 113.7 | D211 Y212 L213 | D211-K215 WeakPolarHBondContact O-CB 3.39Å; D211-K215 VanDerWaalsContact O-CG 3.29Å; D211-K215 WeakPolarHBondContact O-CG 3.29Å; D211-K215 PolarHBondContact O-N 3.5Å; D211-K215 VanDerWaalsContact O-N 3.13Å; Y212-K215 PolarHBondContact O-N 3.41Å; L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 PolarHBondContact O-N 3.33Å |
| 216 | S | 85.3 | Confident | 86 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 25% | 0.252 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -100 | -14 | -166.9 | -51.9 | 0 | 0 | 0 | 0 | 113.6 | Y212 L213 V218 I231 | Y212-S216 VanDerWaalsContact O-CB 3.27Å; Y212-S216 WeakPolarHBondContact O-CB 3.47Å; Y212-S216 PolarHBondContact O-N 3.47Å; Y212-S216 PolarHBondContact O-OG 3.31Å; L213-S216 PolarHBondContact O-N 3.14Å; S216-V218 VanDerWaalsContact C-N 3.31Å; S216-V218 PolarHBondContact O-N 3.29Å; S216-I231 WeakPolarHBondContact O-CD1 3.44Å |
| 217 | V | 83.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -63 | -35.7 | 174.9 | 164.8 | 0 | 0 | 0 | 0 | 112.2 | L213 L219 I231 L235 L258 L261 | L213-V217 WeakPolarHBondContact O-CG2 3.38Å; L213-V217 PolarHBondContact O-N 3.33Å; L213-V217 VanDerWaalsContact O-N 3.09Å; V217-L219 PolarHBondContact O-N 3.26Å; V217-I231 HydrophobicContact CG2-CG2 3.47Å; V217-I231 VanDerWaalsContact CG2-CG2 3.47Å; V217-L235 HydrophobicContact CG2-CD1 3.64Å; V217-L258 HydrophobicContact CG1-CD2 4.07Å; V217-L261 HydrophobicContact CG1-CD2 4.32Å |
| 218 | V | 81.3 | Confident | 85.6 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 9% | 0.085 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -73.7 | 123.5 | -175.3 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | S216 K220 E260 | S216-V218 VanDerWaalsContact C-N 3.31Å; S216-V218 PolarHBondContact O-N 3.29Å; V218-K220 HydrophobicContact CG1-CG 4.36Å; V218-K220 PolarHBondContact O-N 3.18Å; V218-E260 HydrophobicContact CG1-CG 4.28Å; V218-E260 VanDerWaalsContact CG1-OE1 3.28Å; V218-E260 WeakPolarHBondContact CG1-OE1 3.3Å |
| 219 | L | 81.5 | Confident | 85.5 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | trans | -80.9 | 102.1 | 176.2 | -174.6 | 72.5 | 0 | 0 | 0 | 110.1 | V217 E221 Q224 L225 L261 C266 L269 | V217-L219 PolarHBondContact O-N 3.26Å; L219-E221 VanDerWaalsContact CD1-O 3.25Å; L219-E221 WeakPolarHBondContact CD1-O 3.32Å; L219-Q224 HydrophobicContact CD1-CB 4.34Å; L219-L225 HydrophobicContact CD1-CB 4.25Å; L219-L225 HydrophobicContact CD1-CD1 4.26Å; L219-L225 HydrophobicContact CD2-CD1 4.17Å; L219-L261 HydrophobicContact CB-CD1 3.82Å; L219-C266 HydrophobicContact CD2-CB 4.26Å; L219-L269 HydrophobicContact CB-CD1 4.34Å; L219-L269 HydrophobicContact CD2-CD1 4.02Å | ||
| 220 | K | 80.3 | Confident | 85.3 | Confident | 162 Ų | 162 | 56.4 Ų | 56.4 | 70% | 0.704 | 29% | 0.292 | S | S | * | . | trans | -88.6 | -36.2 | 176.5 | -63.8 | -179.8 | -178.1 | 176.2 | 0 | 112.8 | V218 | V218-K220 HydrophobicContact CG1-CG 4.36Å; V218-K220 PolarHBondContact O-N 3.18Å | ||
| 221 | E | 80.3 | Confident | 85.4 | Confident | 117 Ų | 117 | 56.1 Ų | 56.1 | 55% | 0.547 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -136.9 | 150.7 | -178.5 | -66.5 | -179.7 | -172.8 | 0 | 0 | 111.1 | L219 S223 Q224 | L219-E221 VanDerWaalsContact CD1-O 3.25Å; L219-E221 WeakPolarHBondContact CD1-O 3.32Å; E221-S223 WeakPolarHBondContact CB-OG 3.24Å; E221-S223 PolarHBondContact O-N 3.49Å; E221-S223 PolarHBondContact OE2-OG 3.26Å; E221-S223 VanDerWaalsContact OE2-OG 3.12Å; E221-Q224 HydrophobicContact CB-CG 4.43Å; E221-Q224 WeakPolarHBondContact O-CB 3.47Å; E221-Q224 PolarHBondContact O-N 3.05Å |
| 222 | I | 78.8 | Confident | 85.5 | Confident | 149 Ų | 149 | 52.5 Ų | 52.5 | 76% | 0.764 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -62.5 | -29.8 | 178.8 | -62.1 | 171.6 | 0 | 0 | 0 | 111.5 | Q224 L225 | I222-Q224 PolarHBondContact O-N 3.33Å; I222-L225 WeakPolarHBondContact O-CB 3.33Å; I222-L225 PolarHBondContact O-N 2.95Å; I222-L225 VanDerWaalsContact O-N 3.16Å |
| 223 | S | 79.8 | Confident | 85.5 | Confident | 89 Ų | 89 | 56.3 Ų | 56.3 | 62% | 0.622 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -57.6 | -27.2 | 174.7 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | E221 | E221-S223 WeakPolarHBondContact CB-OG 3.24Å; E221-S223 PolarHBondContact O-N 3.49Å; E221-S223 PolarHBondContact OE2-OG 3.26Å; E221-S223 VanDerWaalsContact OE2-OG 3.12Å |
| 224 | Q | 82.6 | Confident | 85.6 | Confident | 80 Ų | 80 | 56.3 Ų | 56.3 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -88.8 | -3.5 | -177.3 | -62.5 | 172.7 | 0.6 | 0 | 0 | 113.3 | L219 E221 I222 P226 G227 S228 | L219-Q224 HydrophobicContact CD1-CB 4.34Å; E221-Q224 HydrophobicContact CB-CG 4.43Å; E221-Q224 WeakPolarHBondContact O-CB 3.47Å; E221-Q224 PolarHBondContact O-N 3.05Å; I222-Q224 PolarHBondContact O-N 3.33Å; Q224-P226 VanDerWaalsContact C-CD 3.49Å; Q224-G227 WeakPolarHBondContact O-CA 3.38Å; Q224-G227 PolarHBondContact O-N 3.18Å; Q224-S228 PolarHBondContact O-N 3.04Å; Q224-S228 PolarHBondContact O-OG 3.2Å |
| 225 | L | 84.9 | Confident | 85.9 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.8 | -44.2 | -175.5 | -175.8 | 77.8 | 0 | 0 | 0 | 114 | L219 I222 G227 S228 Q229 Q268 L269 | L219-L225 HydrophobicContact CD1-CB 4.25Å; L219-L225 HydrophobicContact CD1-CD1 4.26Å; L219-L225 HydrophobicContact CD2-CD1 4.17Å; I222-L225 WeakPolarHBondContact O-CB 3.33Å; I222-L225 PolarHBondContact O-N 2.95Å; I222-L225 VanDerWaalsContact O-N 3.16Å; L225-G227 VanDerWaalsContact C-N 3.27Å; L225-G227 PolarHBondContact O-N 3.34Å; L225-S228 PolarHBondContact O-N 3.44Å; L225-Q229 WeakPolarHBondContact O-CG 3.49Å; L225-Q229 PolarHBondContact O-N 2.93Å; L225-Q268 HydrophobicContact CD1-CB 4.33Å; L225-Q268 HydrophobicContact CD2-CB 4.05Å; L225-Q268 HydrophobicContact CD2-CG 4.44Å; L225-L269 HydrophobicContact CD1-CD1 3.93Å; L225-L269 HydrophobicContact CD1-CD2 3.65Å; L225-L269 HydrophobicContact CD1-CG 3.66Å |
| 226 | P | 84.5 | Confident | 86.2 | Confident | 80 Ų | 80 | 46.9 Ų | 46.9 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.7 | -38 | 176.8 | -22.8 | 35.1 | 0 | 0 | 0 | 112.3 | Q224 Q229 Q230 | Q224-P226 VanDerWaalsContact C-CD 3.49Å; P226-Q229 PolarHBondContact O-N 2.86Å; P226-Q230 WeakPolarHBondContact O-CG 3.31Å; P226-Q230 PolarHBondContact O-N 2.98Å; P226-Q230 VanDerWaalsContact O-N 3.13Å |
| 227 | G | 85 | Confident | 86.5 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 12% | 0.124 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -50.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q224 L225 Q229 Q230 I231 | Q224-G227 WeakPolarHBondContact O-CA 3.38Å; Q224-G227 PolarHBondContact O-N 3.18Å; L225-G227 VanDerWaalsContact C-N 3.27Å; L225-G227 PolarHBondContact O-N 3.34Å; G227-Q229 VanDerWaalsContact C-N 3.26Å; G227-Q229 PolarHBondContact O-N 3.43Å; G227-Q230 PolarHBondContact O-N 3.36Å; G227-I231 WeakPolarHBondContact O-CD1 3.48Å; G227-I231 VanDerWaalsContact O-CG1 3.31Å; G227-I231 WeakPolarHBondContact O-CG1 3.46Å; G227-I231 PolarHBondContact O-N 3.47Å |
| 228 | S | 88.5 | Confident | 86.9 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.3 | -38.8 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | Q224 L225 I231 L232 | Q224-S228 PolarHBondContact O-N 3.04Å; Q224-S228 PolarHBondContact O-OG 3.2Å; L225-S228 PolarHBondContact O-N 3.44Å; S228-I231 PolarHBondContact O-N 3.02Å; S228-L232 VanDerWaalsContact O-CG 3.29Å; S228-L232 WeakPolarHBondContact O-CG 3.34Å; S228-L232 PolarHBondContact O-N 2.89Å |
| 229 | Q | 89.1 | Confident | 87.3 | Confident | 46 Ų | 46 | 47.3 Ų | 47.3 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 174.5 | -74 | -179.4 | -13.2 | 0 | 0 | 112.8 | L225 P226 G227 I231 R233 Q268 L269 | L225-Q229 WeakPolarHBondContact O-CG 3.49Å; L225-Q229 PolarHBondContact O-N 2.93Å; P226-Q229 PolarHBondContact O-N 2.86Å; G227-Q229 VanDerWaalsContact C-N 3.26Å; G227-Q229 PolarHBondContact O-N 3.43Å; Q229-I231 VanDerWaalsContact C-N 3.34Å; Q229-R233 VanDerWaalsContact O-CG 3.3Å; Q229-R233 WeakPolarHBondContact O-CG 3.49Å; Q229-R233 PolarHBondContact O-N 3.39Å; Q229-Q268 PolarHBondContact NE2-O 3.22Å; Q229-L269 HydrophobicContact CG-CD2 3.48Å; Q229-L269 VanDerWaalsContact CG-CD2 3.48Å |
| 230 | Q | 89 | Confident | 87.6 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.8 | -36 | 178.3 | -64.7 | -60.9 | -9.3 | 0 | 0 | 112.2 | Q151 A159 N163 P226 G227 R233 L234 | Q151-Q230 HydrophobicContact CG-CB 3.87Å; A159-Q230 HydrophobicContact CB-CG 4.16Å; N163-Q230 PolarHBondContact ND2-O 3.37Å; N163-Q230 VanDerWaalsContact ND2-O 3.12Å; N163-Q230 PolarHBondContact ND2-OE1 3.11Å; P226-Q230 WeakPolarHBondContact O-CG 3.31Å; P226-Q230 PolarHBondContact O-N 2.98Å; P226-Q230 VanDerWaalsContact O-N 3.13Å; G227-Q230 PolarHBondContact O-N 3.36Å; Q230-R233 VanDerWaalsContact NE2-NH1 3.18Å; Q230-R233 PolarHBondContact O-N 2.71Å; Q230-L234 PolarHBondContact O-N 3.18Å |
| 231 | I | 91.6 | Very high | 88 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -46.5 | 176.9 | -67 | 156.8 | 0 | 0 | 0 | 111.1 | L213 S216 V217 G227 S228 Q229 R233 L234 L235 | L213-I231 HydrophobicContact CD2-CG2 3.87Å; S216-I231 WeakPolarHBondContact O-CD1 3.44Å; V217-I231 HydrophobicContact CG2-CG2 3.47Å; V217-I231 VanDerWaalsContact CG2-CG2 3.47Å; G227-I231 WeakPolarHBondContact O-CD1 3.48Å; G227-I231 VanDerWaalsContact O-CG1 3.31Å; G227-I231 WeakPolarHBondContact O-CG1 3.46Å; G227-I231 PolarHBondContact O-N 3.47Å; S228-I231 PolarHBondContact O-N 3.02Å; Q229-I231 VanDerWaalsContact C-N 3.34Å; I231-R233 VanDerWaalsContact C-N 3.31Å; I231-R233 PolarHBondContact O-N 2.88Å; I231-L234 WeakPolarHBondContact O-CB 3.26Å; I231-L234 PolarHBondContact O-N 3.2Å; I231-L235 HydrophobicContact CG2-CD1 4.22Å; I231-L235 WeakPolarHBondContact O-CG 3.46Å; I231-L235 PolarHBondContact O-N 3.34Å |
| 232 | L | 93.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 176.3 | -67.1 | 171.3 | 0 | 0 | 0 | 111.3 | S228 L234 L235 A236 L258 L261 L269 P272 L273 V276 | S228-L232 VanDerWaalsContact O-CG 3.29Å; S228-L232 WeakPolarHBondContact O-CG 3.34Å; S228-L232 PolarHBondContact O-N 2.89Å; L232-L234 PolarHBondContact O-N 3.05Å; L232-L235 HydrophobicContact CD2-CD1 4.48Å; L232-L235 PolarHBondContact O-N 3.33Å; L232-A236 WeakPolarHBondContact O-CB 3.31Å; L232-A236 PolarHBondContact O-N 3.34Å; L232-L258 HydrophobicContact CD2-CD2 3.97Å; L232-L261 HydrophobicContact CD1-CD2 3.87Å; L232-L261 HydrophobicContact CD2-CD2 4.15Å; L232-L261 HydrophobicContact CG-CD2 4.48Å; L232-L269 HydrophobicContact CD1-CB 4.43Å; L232-L269 HydrophobicContact CD1-CD2 4.18Å; L232-P272 HydrophobicContact CB-CB 3.8Å; L232-P272 HydrophobicContact CD1-CB 3.75Å; L232-P272 HydrophobicContact CG-CB 4.45Å; L232-L273 HydrophobicContact CD1-CB 4.48Å; L232-L273 HydrophobicContact CD2-CD1 4.28Å; L232-V276 HydrophobicContact CB-CG2 4Å; L232-V276 HydrophobicContact CD2-CG2 3.91Å; L232-V276 WeakPolarHBondContact O-CG2 3.16Å |
| 233 | R | 92.1 | Very high | 88.6 | Confident | 123 Ų | 123 | 37.6 Ų | 37.6 | 46% | 0.464 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 173.4 | -74.7 | 173.3 | -178.4 | 164.9 | 2 | 112.5 | Q229 Q230 I231 M237 | Q229-R233 VanDerWaalsContact O-CG 3.3Å; Q229-R233 WeakPolarHBondContact O-CG 3.49Å; Q229-R233 PolarHBondContact O-N 3.39Å; Q230-R233 VanDerWaalsContact NE2-NH1 3.18Å; Q230-R233 PolarHBondContact O-N 2.71Å; I231-R233 VanDerWaalsContact C-N 3.31Å; I231-R233 PolarHBondContact O-N 2.88Å; R233-M237 WeakPolarHBondContact O-CB 3.37Å; R233-M237 PolarHBondContact O-N 2.88Å; R233-M237 VanDerWaalsContact O-N 3.08Å |
| 234 | L | 92.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | 174.4 | 177.4 | 58.9 | 0 | 0 | 0 | 110.9 | N163 L166 L213 Q230 I231 L232 A236 M237 L238 | N163-L234 HydrophobicContact CB-CB 4.47Å; N163-L234 HydrophobicContact CB-CD1 4.28Å; N163-L234 WeakPolarHBondContact O-CD1 3.5Å; L166-L234 HydrophobicContact CB-CD1 4.09Å; L166-L234 HydrophobicContact CB-CD2 4.27Å; L166-L234 HydrophobicContact CD1-CD2 3.74Å; L213-L234 HydrophobicContact CD2-CD2 4.06Å; Q230-L234 PolarHBondContact O-N 3.18Å; I231-L234 WeakPolarHBondContact O-CB 3.26Å; I231-L234 PolarHBondContact O-N 3.2Å; L232-L234 PolarHBondContact O-N 3.05Å; L234-A236 PolarHBondContact O-N 2.87Å; L234-M237 WeakPolarHBondContact O-CB 3.32Å; L234-M237 PolarHBondContact O-N 2.78Å; L234-L238 HydrophobicContact CD1-CD1 3.85Å; L234-L238 HydrophobicContact CD1-CD2 4.32Å; L234-L238 HydrophobicContact CD1-CG 3.81Å; L234-L238 HydrophobicContact CD2-CD1 4.33Å; L234-L238 HydrophobicContact CG-CD1 3.73Å; L234-L238 HydrophobicContact CG-CG 4.14Å; L234-L238 WeakPolarHBondContact O-CB 3.26Å; L234-L238 VanDerWaalsContact O-CG 3.29Å; L234-L238 WeakPolarHBondContact O-CG 3.45Å; L234-L238 PolarHBondContact O-N 3.4Å |
| 235 | L | 93.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.9 | -48.6 | 179.2 | -77.4 | 172.1 | 0 | 0 | 0 | 112 | L213 V217 I231 L232 M237 L238 L239 V254 V276 | L213-L235 HydrophobicContact CD1-CD2 3.84Å; L213-L235 HydrophobicContact CD2-CD2 4.15Å; L213-L235 HydrophobicContact CD2-CG 4.16Å; L213-L235 HydrophobicContact CG-CD2 4.42Å; V217-L235 HydrophobicContact CG2-CD1 3.64Å; I231-L235 HydrophobicContact CG2-CD1 4.22Å; I231-L235 WeakPolarHBondContact O-CG 3.46Å; I231-L235 PolarHBondContact O-N 3.34Å; L232-L235 HydrophobicContact CD2-CD1 4.48Å; L232-L235 PolarHBondContact O-N 3.33Å; L235-M237 VanDerWaalsContact C-N 3.3Å; L235-M237 PolarHBondContact O-N 2.98Å; L235-L238 PolarHBondContact O-N 3.5Å; L235-L239 WeakPolarHBondContact O-CB 3.07Å; L235-L239 WeakPolarHBondContact O-CD1 3.43Å; L235-L239 WeakPolarHBondContact O-CG 3.42Å; L235-L239 PolarHBondContact O-N 2.77Å; L235-V254 HydrophobicContact CD1-CG1 4.44Å; L235-V254 HydrophobicContact CD1-CG2 4.35Å; L235-V254 HydrophobicContact CD2-CG1 4.15Å; L235-V254 HydrophobicContact CD2-CG2 4.2Å; L235-V276 HydrophobicContact CB-CG1 4.08Å; L235-V276 HydrophobicContact CB-CG2 3.75Å; L235-V276 HydrophobicContact CD1-CG1 4.5Å |
| 236 | A | 93.1 | Very high | 89 | Confident | 16 Ų | 16 | 37.1 Ų | 37.1 | 13% | 0.132 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.5 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L232 L234 V240 D275 V276 | L232-A236 WeakPolarHBondContact O-CB 3.31Å; L232-A236 PolarHBondContact O-N 3.34Å; L234-A236 PolarHBondContact O-N 2.87Å; A236-V240 WeakPolarHBondContact O-CG2 3.44Å; A236-V240 PolarHBondContact O-N 3.07Å; A236-D275 HydrophobicContact CB-CB 4.11Å; A236-V276 HydrophobicContact CB-CG2 4Å |
| 237 | M | 91.5 | Very high | 89.2 | Confident | 57 Ų | 57 | 34.9 Ų | 34.9 | 28% | 0.281 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 177.1 | -170.3 | -173.9 | -50.7 | 0 | 0 | 112.8 | Q164 A167 R233 L234 L235 R241 | Q164-M237 HydrophobicContact CG-CE 4.38Å; A167-M237 HydrophobicContact CB-CG 4.49Å; A167-M237 HydrophobicContact CB-SD 3.93Å; R233-M237 WeakPolarHBondContact O-CB 3.37Å; R233-M237 PolarHBondContact O-N 2.88Å; R233-M237 VanDerWaalsContact O-N 3.08Å; L234-M237 WeakPolarHBondContact O-CB 3.32Å; L234-M237 PolarHBondContact O-N 2.78Å; L235-M237 VanDerWaalsContact C-N 3.3Å; L235-M237 PolarHBondContact O-N 2.98Å; M237-R241 WeakPolarHBondContact O-CG 3.45Å; M237-R241 PolarHBondContact O-N 3.39Å |
| 238 | L | 91.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.2 | -51.9 | 179.9 | -73.9 | 174.8 | 0 | 0 | 0 | 111 | A167 L170 L213 L234 L235 V240 R241 V242 L250 | A167-L238 HydrophobicContact CB-CD2 3.86Å; L170-L238 HydrophobicContact CB-CD2 4.22Å; L170-L238 HydrophobicContact CD1-CD1 3.68Å; L170-L238 HydrophobicContact CD1-CD2 3.57Å; L170-L238 HydrophobicContact CD1-CG 4.3Å; L170-L238 HydrophobicContact CG-CD2 4.5Å; L213-L238 HydrophobicContact CD1-CD1 4.42Å; L234-L238 HydrophobicContact CD1-CD1 3.85Å; L234-L238 HydrophobicContact CD1-CD2 4.32Å; L234-L238 HydrophobicContact CD1-CG 3.81Å; L234-L238 HydrophobicContact CD2-CD1 4.33Å; L234-L238 HydrophobicContact CG-CD1 3.73Å; L234-L238 HydrophobicContact CG-CG 4.14Å; L234-L238 WeakPolarHBondContact O-CB 3.26Å; L234-L238 VanDerWaalsContact O-CG 3.29Å; L234-L238 WeakPolarHBondContact O-CG 3.45Å; L234-L238 PolarHBondContact O-N 3.4Å; L235-L238 PolarHBondContact O-N 3.5Å; L238-V240 PolarHBondContact O-N 3.28Å; L238-R241 PolarHBondContact O-N 2.95Å; L238-V242 HydrophobicContact CD2-CG1 4.2Å; L238-V242 WeakPolarHBondContact O-CG1 3.48Å; L238-V242 VanDerWaalsContact O-CG2 3.24Å; L238-V242 WeakPolarHBondContact O-CG2 3.35Å; L238-V242 PolarHBondContact O-N 3.42Å; L238-L250 HydrophobicContact CB-CD1 4.34Å; L238-L250 HydrophobicContact CD1-CD1 4.19Å |
| 239 | L | 90.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.6 | -33.4 | -173.7 | -70.3 | 164.8 | 0 | 0 | 0 | 112.6 | L235 R247 L251 V276 A279 A280 | L235-L239 WeakPolarHBondContact O-CB 3.07Å; L235-L239 WeakPolarHBondContact O-CD1 3.43Å; L235-L239 WeakPolarHBondContact O-CG 3.42Å; L235-L239 PolarHBondContact O-N 2.77Å; L239-R247 HydrophobicContact CD2-CG 3.84Å; L239-R247 PolarHBondContact O-NE 3.34Å; L239-R247 PolarHBondContact O-NH2 3.04Å; L239-L251 HydrophobicContact CD2-CB 4.42Å; L239-V276 HydrophobicContact CD1-CG1 3.85Å; L239-A279 HydrophobicContact CB-CB 4.01Å; L239-A280 HydrophobicContact CD1-CB 3.92Å; L239-A280 HydrophobicContact CD2-CB 4.49Å |
| 240 | V | 88.8 | Confident | 89.4 | Confident | 93 Ų | 93 | 38.6 Ų | 38.6 | 56% | 0.564 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -69.6 | -39 | 173.9 | 174.3 | 0 | 0 | 0 | 0 | 112.2 | A236 L238 A279 | A236-V240 WeakPolarHBondContact O-CG2 3.44Å; A236-V240 PolarHBondContact O-N 3.07Å; L238-V240 PolarHBondContact O-N 3.28Å; V240-A279 HydrophobicContact CG2-CB 3.72Å |
| 241 | R | 88.4 | Confident | 89.5 | Confident | 136 Ų | 136 | 38.1 Ų | 38.1 | 51% | 0.513 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -96 | -33.9 | -167.1 | -65.1 | -178.2 | 69.7 | -173.5 | -0.2 | 114.5 | L171 M237 L238 | L171-R241 HydrophobicContact CD1-CB 4.31Å; L171-R241 HydrophobicContact CD2-CB 4.16Å; L171-R241 WeakPolarHBondContact CD2-O 3.3Å; M237-R241 WeakPolarHBondContact O-CG 3.45Å; M237-R241 PolarHBondContact O-N 3.39Å; L238-R241 PolarHBondContact O-N 2.95Å |
| 242 | V | 87.1 | Confident | 89.4 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -78.6 | 141.9 | -177.8 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | L171 L238 L246 R247 L250 | L171-V242 HydrophobicContact CD2-CG1 4.05Å; L238-V242 HydrophobicContact CD2-CG1 4.2Å; L238-V242 WeakPolarHBondContact O-CG1 3.48Å; L238-V242 VanDerWaalsContact O-CG2 3.24Å; L238-V242 WeakPolarHBondContact O-CG2 3.35Å; L238-V242 PolarHBondContact O-N 3.42Å; V242-L246 HydrophobicContact CB-CB 4.34Å; V242-L246 HydrophobicContact CB-CD2 4.03Å; V242-L246 HydrophobicContact CB-CG 4.21Å; V242-L246 HydrophobicContact CG1-CD2 3.83Å; V242-L246 HydrophobicContact CG1-CG 4.35Å; V242-L246 HydrophobicContact CG2-CB 4.48Å; V242-L246 HydrophobicContact CG2-CG 4.36Å; V242-R247 HydrophobicContact CG2-CB 3.8Å; V242-R247 HydrophobicContact CG2-CG 4.45Å; V242-R247 PolarHBondContact O-NE 2.68Å; V242-R247 PolarHBondContact O-NH2 3.3Å; V242-L250 HydrophobicContact CG2-CD1 4.38Å |
| 243 | G | 84.5 | Confident | 89.3 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 21% | 0.206 | 24% | 0.239 | C | C | . | . | trans | -74.9 | 171.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q174 L246 R247 | Q174-G243 VanDerWaalsContact CD-N 3.32Å; Q174-G243 VanDerWaalsContact NE2-C 3.25Å; Q174-G243 PolarHBondContact NE2-O 2.94Å; G243-L246 PolarHBondContact O-N 3.33Å; G243-R247 WeakPolarHBondContact O-CB 3.4Å; G243-R247 PolarHBondContact O-N 3.13Å | ||
| 244 | P | 82.6 | Confident | 89.3 | Confident | 78 Ų | 78 | 38.5 Ų | 38.5 | 51% | 0.506 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -50.7 | -49.1 | -164.5 | -27.7 | 34.5 | 0 | 0 | 0 | 117.4 | L246 R247 D248 | P244-L246 PolarHBondContact O-N 3.5Å; P244-R247 WeakPolarHBondContact O-CB 3.33Å; P244-R247 PolarHBondContact O-N 3.38Å; P244-D248 WeakPolarHBondContact O-CB 3.2Å; P244-D248 PolarHBondContact O-N 2.88Å |
| 245 | P | 84.6 | Confident | 89.3 | Confident | 88 Ų | 88 | 38.7 Ų | 38.7 | 57% | 0.571 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -64.3 | -39.6 | -173.2 | 24.1 | -33.7 | 0 | 0 | 0 | 113 | T249 | P245-T249 PolarHBondContact O-N 2.86Å; P245-T249 PolarHBondContact O-OG1 2.98Å |
| 246 | L | 87.6 | Confident | 89.2 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -75.3 | -37.8 | 176.5 | -178.8 | 57.2 | 0 | 0 | 0 | 111.3 | L170 Q174 I206 V242 G243 P244 D248 T249 L250 | L170-L246 HydrophobicContact CB-CD2 4.15Å; L170-L246 WeakPolarHBondContact O-CD2 3.18Å; Q174-L246 HydrophobicContact CB-CD2 4.26Å; I206-L246 HydrophobicContact CD1-CD1 4.12Å; I206-L246 HydrophobicContact CG1-CD1 4.14Å; I206-L246 HydrophobicContact CG2-CD1 3.66Å; V242-L246 HydrophobicContact CB-CB 4.34Å; V242-L246 HydrophobicContact CB-CD2 4.03Å; V242-L246 HydrophobicContact CB-CG 4.21Å; V242-L246 HydrophobicContact CG1-CD2 3.83Å; V242-L246 HydrophobicContact CG1-CG 4.35Å; V242-L246 HydrophobicContact CG2-CB 4.48Å; V242-L246 HydrophobicContact CG2-CG 4.36Å; G243-L246 PolarHBondContact O-N 3.33Å; P244-L246 PolarHBondContact O-N 3.5Å; L246-D248 PolarHBondContact O-N 3.25Å; L246-T249 PolarHBondContact O-N 2.98Å; L246-L250 HydrophobicContact CD1-CD1 4.18Å; L246-L250 HydrophobicContact CD1-CG 4.12Å; L246-L250 HydrophobicContact CG-CD1 4.04Å; L246-L250 HydrophobicContact CG-CG 4.43Å; L246-L250 WeakPolarHBondContact O-CB 3.31Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.41Å; L246-L250 PolarHBondContact O-N 2.96Å |
| 247 | R | 88.8 | Confident | 89.2 | Confident | 33 Ų | 33 | 42.8 Ų | 42.8 | 13% | 0.125 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.9 | -50.7 | 175.2 | -173.7 | -175.6 | -69.3 | 147.2 | 0.1 | 111.3 | L239 V242 G243 P244 T249 L250 L251 G283 | L239-R247 HydrophobicContact CD2-CG 3.84Å; L239-R247 PolarHBondContact O-NE 3.34Å; L239-R247 PolarHBondContact O-NH2 3.04Å; V242-R247 HydrophobicContact CG2-CB 3.8Å; V242-R247 HydrophobicContact CG2-CG 4.45Å; V242-R247 PolarHBondContact O-NE 2.68Å; V242-R247 PolarHBondContact O-NH2 3.3Å; G243-R247 WeakPolarHBondContact O-CB 3.4Å; G243-R247 PolarHBondContact O-N 3.13Å; P244-R247 WeakPolarHBondContact O-CB 3.33Å; P244-R247 PolarHBondContact O-N 3.38Å; R247-T249 VanDerWaalsContact C-N 3.33Å; R247-T249 PolarHBondContact O-N 3.46Å; R247-L250 PolarHBondContact O-N 3.27Å; R247-L251 VanDerWaalsContact O-CB 3.29Å; R247-L251 WeakPolarHBondContact O-CB 3.32Å; R247-L251 PolarHBondContact O-N 2.93Å; R247-G283 PolarHBondContact NH1-O 3.36Å |
| 248 | D | 87.4 | Confident | 89.2 | Confident | 66 Ų | 66 | 40 Ų | 40 | 35% | 0.353 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.7 | -40.6 | -177.2 | -65.9 | -16.6 | 0 | 0 | 0 | 111 | P244 L246 L251 L252 | P244-D248 WeakPolarHBondContact O-CB 3.2Å; P244-D248 PolarHBondContact O-N 2.88Å; L246-D248 PolarHBondContact O-N 3.25Å; D248-L251 PolarHBondContact O-N 3.27Å; D248-L252 WeakPolarHBondContact O-CB 3.49Å; D248-L252 VanDerWaalsContact O-CG 3.27Å; D248-L252 WeakPolarHBondContact O-CG 3.38Å; D248-L252 PolarHBondContact O-N 3.04Å |
| 249 | T | 88.6 | Confident | 89.3 | Confident | 71 Ų | 71 | 43 Ų | 43 | 44% | 0.436 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.8 | -51.4 | 175.3 | -58 | 0 | 0 | 0 | 0 | 111.4 | I206 P245 L246 R247 L251 L252 A253 | I206-T249 HydrophobicContact CG2-CG2 4.39Å; P245-T249 PolarHBondContact O-N 2.86Å; P245-T249 PolarHBondContact O-OG1 2.98Å; L246-T249 PolarHBondContact O-N 2.98Å; R247-T249 VanDerWaalsContact C-N 3.33Å; R247-T249 PolarHBondContact O-N 3.46Å; T249-L251 PolarHBondContact O-N 3.28Å; T249-L252 PolarHBondContact O-N 3.04Å; T249-A253 PolarHBondContact O-N 3.13Å; T249-A253 VanDerWaalsContact O-N 3.1Å |
| 250 | L | 90.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 179.2 | -69.9 | 171.8 | 0 | 0 | 0 | 111.4 | L170 L213 L238 V242 L246 R247 A253 V254 | L170-L250 HydrophobicContact CD1-CD1 4.44Å; L213-L250 HydrophobicContact CD1-CD2 3.93Å; L238-L250 HydrophobicContact CB-CD1 4.34Å; L238-L250 HydrophobicContact CD1-CD1 4.19Å; V242-L250 HydrophobicContact CG2-CD1 4.38Å; L246-L250 HydrophobicContact CD1-CD1 4.18Å; L246-L250 HydrophobicContact CD1-CG 4.12Å; L246-L250 HydrophobicContact CG-CD1 4.04Å; L246-L250 HydrophobicContact CG-CG 4.43Å; L246-L250 WeakPolarHBondContact O-CB 3.31Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.41Å; L246-L250 PolarHBondContact O-N 2.96Å; R247-L250 PolarHBondContact O-N 3.27Å; L250-A253 WeakPolarHBondContact O-CB 3.38Å; L250-A253 PolarHBondContact O-N 3.01Å; L250-V254 WeakPolarHBondContact O-CG2 3.26Å; L250-V254 PolarHBondContact O-N 3.47Å |
| 251 | L | 90.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -46.8 | -179.9 | -179.3 | 61.5 | 0 | 0 | 0 | 111.7 | L239 R247 D248 T249 A253 V254 I255 A280 L284 P290 L294 | L239-L251 HydrophobicContact CD2-CB 4.42Å; R247-L251 VanDerWaalsContact O-CB 3.29Å; R247-L251 WeakPolarHBondContact O-CB 3.32Å; R247-L251 PolarHBondContact O-N 2.93Å; D248-L251 PolarHBondContact O-N 3.27Å; T249-L251 PolarHBondContact O-N 3.28Å; L251-A253 PolarHBondContact O-N 3.04Å; L251-V254 PolarHBondContact O-N 3Å; L251-V254 VanDerWaalsContact O-N 3.16Å; L251-I255 HydrophobicContact CD1-CD1 4.06Å; L251-I255 WeakPolarHBondContact O-CB 3.4Å; L251-I255 PolarHBondContact O-N 3.33Å; L251-A280 HydrophobicContact CD1-CB 3.94Å; L251-A280 HydrophobicContact CD2-CB 4.4Å; L251-L284 HydrophobicContact CD2-CD1 3.71Å; L251-L284 HydrophobicContact CD2-CD2 4.31Å; L251-L284 HydrophobicContact CD2-CG 4.5Å; L251-P290 HydrophobicContact CD2-CB 3.68Å; L251-P290 HydrophobicContact CG-CB 4.44Å; L251-L294 HydrophobicContact CD1-CD1 4.47Å; L251-L294 HydrophobicContact CD1-CD2 4.34Å; L251-L294 HydrophobicContact CD2-CD1 4.11Å |
| 252 | L | 89.4 | Confident | 89.5 | Confident | 107 Ų | 107 | 37 Ų | 37 | 56% | 0.56 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -60.9 | -34 | 176.8 | -74.8 | 171.9 | 0 | 0 | 0 | 112 | D248 T249 V254 P290 | D248-L252 WeakPolarHBondContact O-CB 3.49Å; D248-L252 VanDerWaalsContact O-CG 3.27Å; D248-L252 WeakPolarHBondContact O-CG 3.38Å; D248-L252 PolarHBondContact O-N 3.04Å; T249-L252 PolarHBondContact O-N 3.04Å; L252-V254 VanDerWaalsContact C-N 3.35Å; L252-P290 HydrophobicContact CD2-CG 4.25Å |
| 253 | A | 90.8 | Very high | 89.5 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.1 | -33.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | N214 T249 L250 L251 | N214-A253 WeakPolarHBondContact CB-O 3.48Å; N214-A253 PolarHBondContact OD1-O 3.32Å; T249-A253 PolarHBondContact O-N 3.13Å; T249-A253 VanDerWaalsContact O-N 3.1Å; L250-A253 WeakPolarHBondContact O-CB 3.38Å; L250-A253 PolarHBondContact O-N 3.01Å; L251-A253 PolarHBondContact O-N 3.04Å |
| 254 | V | 93 | Very high | 89.6 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -109.4 | -13.3 | -171.6 | -55.6 | 0 | 0 | 0 | 0 | 115.2 | L213 L235 L250 L251 L252 N256 S257 L258 | L213-V254 HydrophobicContact CB-CG1 3.8Å; L235-V254 HydrophobicContact CD1-CG1 4.44Å; L235-V254 HydrophobicContact CD1-CG2 4.35Å; L235-V254 HydrophobicContact CD2-CG1 4.15Å; L235-V254 HydrophobicContact CD2-CG2 4.2Å; L250-V254 WeakPolarHBondContact O-CG2 3.26Å; L250-V254 PolarHBondContact O-N 3.47Å; L251-V254 PolarHBondContact O-N 3Å; L251-V254 VanDerWaalsContact O-N 3.16Å; L252-V254 VanDerWaalsContact C-N 3.35Å; V254-N256 VanDerWaalsContact C-N 3.26Å; V254-N256 PolarHBondContact O-N 3.37Å; V254-N256 VanDerWaalsContact O-N 3.16Å; V254-S257 WeakPolarHBondContact O-CB 3.45Å; V254-S257 PolarHBondContact O-N 3.03Å; V254-L258 HydrophobicContact CG2-CD1 3.98Å; V254-L258 HydrophobicContact CG2-CG 4.31Å; V254-L258 WeakPolarHBondContact O-CG 3.41Å; V254-L258 PolarHBondContact O-N 2.75Å |
| 255 | I | 91.8 | Very high | 89.5 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55 | -37.8 | -172.5 | -168.8 | 78.7 | 0 | 0 | 0 | 113.4 | L251 L258 E259 R293 L294 | L251-I255 HydrophobicContact CD1-CD1 4.06Å; L251-I255 WeakPolarHBondContact O-CB 3.4Å; L251-I255 PolarHBondContact O-N 3.33Å; I255-L258 PolarHBondContact O-N 3.28Å; I255-E259 PolarHBondContact O-N 3.44Å; I255-R293 HydrophobicContact CD1-CB 4.34Å; I255-R293 HydrophobicContact CG1-CB 4.43Å; I255-R293 VanDerWaalsContact CG2-NH1 3.28Å; I255-L294 HydrophobicContact CD1-CD2 3.76Å; I255-L294 HydrophobicContact CD1-CG 4.1Å |
| 256 | N | 92.3 | Very high | 89.6 | Confident | 97 Ų | 97 | 39.8 Ų | 39.8 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.7 | -42.2 | 178 | -62.4 | -19.4 | 0 | 0 | 0 | 111.1 | V254 L258 E259 E260 R293 | V254-N256 VanDerWaalsContact C-N 3.26Å; V254-N256 PolarHBondContact O-N 3.37Å; V254-N256 VanDerWaalsContact O-N 3.16Å; N256-L258 VanDerWaalsContact C-N 3.29Å; N256-L258 PolarHBondContact O-N 2.86Å; N256-E259 WeakPolarHBondContact O-CB 3.35Å; N256-E259 PolarHBondContact O-N 2.99Å; N256-E260 PolarHBondContact O-N 3.15Å; N256-R293 PolarHBondContact OD1-NH2 3.37Å |
| 257 | S | 91.8 | Very high | 89.6 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.9 | -33.2 | 176.5 | -51.8 | 0 | 0 | 0 | 0 | 111.8 | N214 V254 L261 | N214-S257 PolarHBondContact O-OG 3.12Å; N214-S257 PolarHBondContact OD1-OG 2.85Å; V254-S257 WeakPolarHBondContact O-CB 3.45Å; V254-S257 PolarHBondContact O-N 3.03Å; S257-L261 WeakPolarHBondContact O-CB 3.39Å; S257-L261 PolarHBondContact O-N 3.31Å |
| 258 | L | 93 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 172.2 | -63.9 | 176.8 | 0 | 0 | 0 | 111.6 | V217 L232 V254 I255 N256 L261 V262 L273 V276 L297 | V217-L258 HydrophobicContact CG1-CD2 4.07Å; L232-L258 HydrophobicContact CD2-CD2 3.97Å; V254-L258 HydrophobicContact CG2-CD1 3.98Å; V254-L258 HydrophobicContact CG2-CG 4.31Å; V254-L258 WeakPolarHBondContact O-CG 3.41Å; V254-L258 PolarHBondContact O-N 2.75Å; I255-L258 PolarHBondContact O-N 3.28Å; N256-L258 VanDerWaalsContact C-N 3.29Å; N256-L258 PolarHBondContact O-N 2.86Å; L258-L261 PolarHBondContact O-N 3.33Å; L258-V262 WeakPolarHBondContact O-CG2 3.2Å; L258-V262 PolarHBondContact O-N 3.18Å; L258-L273 HydrophobicContact CD2-CD1 3.68Å; L258-V276 HydrophobicContact CD1-CG1 3.88Å; L258-V276 HydrophobicContact CD2-CG1 4.03Å; L258-L297 HydrophobicContact CB-CD1 4.32Å |
| 259 | E | 92.6 | Very high | 89.8 | Confident | 62 Ų | 62 | 43.2 Ų | 43.2 | 29% | 0.29 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 174.3 | -79.5 | 169.1 | -176.2 | 0 | 0 | 112.1 | I255 N256 L261 V262 T263 R293 L297 | I255-E259 PolarHBondContact O-N 3.44Å; N256-E259 WeakPolarHBondContact O-CB 3.35Å; N256-E259 PolarHBondContact O-N 2.99Å; E259-L261 VanDerWaalsContact C-N 3.32Å; E259-L261 PolarHBondContact O-N 3.26Å; E259-V262 PolarHBondContact O-N 2.69Å; E259-T263 WeakPolarHBondContact O-CG2 3.2Å; E259-T263 PolarHBondContact O-N 3.11Å; E259-T263 VanDerWaalsContact O-N 3.13Å; E259-T263 PolarHBondContact O-OG1 3.37Å; E259-R293 IonicContact OE1-CZ 2.76Å; E259-R293 VanDerWaalsContact OE1-CZ 3.23Å; E259-R293 IonicContact OE1-NE 3.48Å; E259-R293 PolarHBondContact OE1-NE 3.22Å; E259-R293 IonicContact OE1-NH2 3.81Å; E259-R293 PolarHBondContact OE1-NH2 3.37Å; E259-R293 IonicContact OE2-CZ 3.01Å; E259-R293 IonicContact OE2-NH2 3.52Å; E259-R293 PolarHBondContact OE2-NH2 2.86Å; E259-L297 HydrophobicContact CB-CD2 4.3Å; E259-L297 HydrophobicContact CG-CD1 4.18Å; E259-L297 HydrophobicContact CG-CD2 3.58Å; E259-L297 HydrophobicContact CG-CG 4.2Å |
| 260 | E | 91.3 | Very high | 89.9 | Confident | 98 Ų | 98 | 40 Ų | 40 | 46% | 0.458 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 174.3 | -172.8 | 175.7 | 173.6 | 0 | 0 | 111.8 | V218 N256 T263 T264 | V218-E260 HydrophobicContact CG1-CG 4.28Å; V218-E260 VanDerWaalsContact CG1-OE1 3.28Å; V218-E260 WeakPolarHBondContact CG1-OE1 3.3Å; N256-E260 PolarHBondContact O-N 3.15Å; E260-T263 PolarHBondContact O-N 3.28Å; E260-T263 PolarHBondContact O-OG1 3.49Å; E260-T264 PolarHBondContact O-N 3.36Å; E260-T264 PolarHBondContact O-OG1 3.01Å |
| 261 | L | 90 | Very high | 89.9 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.5 | -38 | -179.9 | -162.5 | 66.5 | 0 | 0 | 0 | 112.9 | V217 L219 L232 S257 L258 E259 T263 T264 S265 L269 L273 | V217-L261 HydrophobicContact CG1-CD2 4.32Å; L219-L261 HydrophobicContact CB-CD1 3.82Å; L232-L261 HydrophobicContact CD1-CD2 3.87Å; L232-L261 HydrophobicContact CD2-CD2 4.15Å; L232-L261 HydrophobicContact CG-CD2 4.48Å; S257-L261 WeakPolarHBondContact O-CB 3.39Å; S257-L261 PolarHBondContact O-N 3.31Å; L258-L261 PolarHBondContact O-N 3.33Å; E259-L261 VanDerWaalsContact C-N 3.32Å; E259-L261 PolarHBondContact O-N 3.26Å; L261-T263 VanDerWaalsContact C-N 3.33Å; L261-T264 WeakPolarHBondContact O-CB 3.29Å; L261-T264 PolarHBondContact O-N 2.85Å; L261-S265 PolarHBondContact O-N 3.05Å; L261-L269 HydrophobicContact CD1-CD1 3.76Å; L261-L269 HydrophobicContact CD2-CD1 4.15Å; L261-L269 HydrophobicContact CG-CD1 4.27Å; L261-L273 HydrophobicContact CB-CD2 4.42Å; L261-L273 HydrophobicContact CD2-CD1 4.25Å; L261-L273 HydrophobicContact CD2-CD2 4.33Å; L261-L273 HydrophobicContact CG-CD2 4.28Å |
| 262 | V | 90.3 | Very high | 90 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 173.6 | 171 | 0 | 0 | 0 | 0 | 110.2 | L258 E259 T264 S265 L273 I277 L297 V300 M301 | L258-V262 WeakPolarHBondContact O-CG2 3.2Å; L258-V262 PolarHBondContact O-N 3.18Å; E259-V262 PolarHBondContact O-N 2.69Å; V262-T264 VanDerWaalsContact C-N 3.34Å; V262-T264 PolarHBondContact O-N 2.97Å; V262-S265 PolarHBondContact O-N 2.86Å; V262-S265 VanDerWaalsContact O-N 3.17Å; V262-S265 PolarHBondContact O-OG 3.17Å; V262-L273 HydrophobicContact CB-CD2 4.33Å; V262-L273 HydrophobicContact CG2-CD1 4.4Å; V262-L273 HydrophobicContact CG2-CD2 3.47Å; V262-L273 VanDerWaalsContact CG2-CD2 3.47Å; V262-L273 HydrophobicContact CG2-CG 4.09Å; V262-I277 HydrophobicContact CG2-CD1 4.15Å; V262-L297 HydrophobicContact CB-CD2 4.15Å; V262-L297 HydrophobicContact CG1-CD2 4.34Å; V262-L297 HydrophobicContact CG2-CD2 3.96Å; V262-V300 HydrophobicContact CG1-CB 3.98Å; V262-V300 HydrophobicContact CG1-CG1 3.46Å; V262-V300 VanDerWaalsContact CG1-CG1 3.46Å; V262-M301 HydrophobicContact CG1-CG 4.01Å; V262-M301 HydrophobicContact CG2-CG 4.28Å; V262-M301 HydrophobicContact CG2-SD 4.22Å |
| 263 | T | 87.3 | Confident | 90.2 | Very high | 103 Ų | 103 | 38.9 Ų | 38.9 | 63% | 0.632 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -66.7 | -35.4 | 179.3 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | E259 E260 L261 S265 | E259-T263 WeakPolarHBondContact O-CG2 3.2Å; E259-T263 PolarHBondContact O-N 3.11Å; E259-T263 VanDerWaalsContact O-N 3.13Å; E259-T263 PolarHBondContact O-OG1 3.37Å; E260-T263 PolarHBondContact O-N 3.28Å; E260-T263 PolarHBondContact O-OG1 3.49Å; L261-T263 VanDerWaalsContact C-N 3.33Å; T263-S265 PolarHBondContact O-N 3.1Å; T263-S265 VanDerWaalsContact O-N 3.12Å; T263-S265 PolarHBondContact O-OG 3.32Å; T263-S265 VanDerWaalsContact O-OG 3.11Å |
| 264 | T | 85.9 | Confident | 90.3 | Very high | 67 Ų | 67 | 37.7 Ų | 37.7 | 41% | 0.411 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.7 | -24.7 | 174.6 | -55.8 | 0 | 0 | 0 | 0 | 112.7 | E260 L261 V262 C266 | E260-T264 PolarHBondContact O-N 3.36Å; E260-T264 PolarHBondContact O-OG1 3.01Å; L261-T264 WeakPolarHBondContact O-CB 3.29Å; L261-T264 PolarHBondContact O-N 2.85Å; V262-T264 VanDerWaalsContact C-N 3.34Å; V262-T264 PolarHBondContact O-N 2.97Å; T264-C266 VanDerWaalsContact C-N 3.33Å; T264-C266 PolarHBondContact O-N 3.25Å |
| 265 | S | 81.3 | Confident | 90.3 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 31% | 0.308 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 40.9 | 172 | -61.1 | 0 | 0 | 0 | 0 | 113.8 | L261 V262 T263 S267 K306 | L261-S265 PolarHBondContact O-N 3.05Å; V262-S265 PolarHBondContact O-N 2.86Å; V262-S265 VanDerWaalsContact O-N 3.17Å; V262-S265 PolarHBondContact O-OG 3.17Å; T263-S265 PolarHBondContact O-N 3.1Å; T263-S265 VanDerWaalsContact O-N 3.12Å; T263-S265 PolarHBondContact O-OG 3.32Å; T263-S265 VanDerWaalsContact O-OG 3.11Å; S265-S267 PolarHBondContact O-N 3.12Å; S265-K306 PolarHBondContact O-NZ 3.35Å |
| 266 | C | 87.7 | Confident | 90.4 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | trans | -79.7 | 113.4 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | L219 T264 Q268 L269 T270 | L219-C266 HydrophobicContact CD2-CB 4.26Å; T264-C266 VanDerWaalsContact C-N 3.33Å; T264-C266 PolarHBondContact O-N 3.25Å; C266-Q268 PolarHBondContact O-N 3.27Å; C266-Q268 VanDerWaalsContact O-N 3.14Å; C266-L269 HydrophobicContact CB-CB 4.38Å; C266-L269 HydrophobicContact CB-CD1 4.22Å; C266-L269 HydrophobicContact CB-CG 4.31Å; C266-L269 PolarHBondContact O-N 3.12Å; C266-T270 PolarHBondContact O-N 3.1Å | ||
| 267 | S | 87.6 | Confident | 90.4 | Very high | 52 Ų | 52 | 36.7 Ų | 36.7 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28.9 | -174.2 | -58.3 | 0 | 0 | 0 | 0 | 113.9 | S265 L269 T270 K306 D309 | S265-S267 PolarHBondContact O-N 3.12Å; S267-L269 PolarHBondContact O-N 3.37Å; S267-T270 WeakPolarHBondContact CA-OG1 3.3Å; S267-T270 PolarHBondContact O-N 3.34Å; S267-T270 PolarHBondContact O-OG1 3.08Å; S267-K306 PolarHBondContact OG-NZ 3.41Å; S267-K306 VanDerWaalsContact OG-NZ 3.09Å; S267-D309 WeakPolarHBondContact CB-OD1 3.31Å; S267-D309 VanDerWaalsContact CB-OD2 3.25Å; S267-D309 WeakPolarHBondContact CB-OD2 3.27Å; S267-D309 PolarHBondContact OG-OD2 2.89Å |
| 268 | Q | 89.4 | Confident | 90.4 | Very high | 126 Ų | 126 | 37.3 Ų | 37.3 | 59% | 0.589 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -11.9 | 178.4 | -58.7 | -175.9 | 41.1 | 0 | 0 | 113.3 | L225 Q229 C266 | L225-Q268 HydrophobicContact CD1-CB 4.33Å; L225-Q268 HydrophobicContact CD2-CB 4.05Å; L225-Q268 HydrophobicContact CD2-CG 4.44Å; Q229-Q268 PolarHBondContact NE2-O 3.22Å; C266-Q268 PolarHBondContact O-N 3.27Å; C266-Q268 VanDerWaalsContact O-N 3.14Å |
| 269 | L | 90.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -7.3 | 177.9 | -61.4 | -178.6 | 0 | 0 | 0 | 112.9 | L219 L225 Q229 L232 L261 C266 S267 V271 P272 L273 | L219-L269 HydrophobicContact CB-CD1 4.34Å; L219-L269 HydrophobicContact CD2-CD1 4.02Å; L225-L269 HydrophobicContact CD1-CD1 3.93Å; L225-L269 HydrophobicContact CD1-CD2 3.65Å; L225-L269 HydrophobicContact CD1-CG 3.66Å; Q229-L269 HydrophobicContact CG-CD2 3.48Å; Q229-L269 VanDerWaalsContact CG-CD2 3.48Å; L232-L269 HydrophobicContact CD1-CB 4.43Å; L232-L269 HydrophobicContact CD1-CD2 4.18Å; L261-L269 HydrophobicContact CD1-CD1 3.76Å; L261-L269 HydrophobicContact CD2-CD1 4.15Å; L261-L269 HydrophobicContact CG-CD1 4.27Å; C266-L269 HydrophobicContact CB-CB 4.38Å; C266-L269 HydrophobicContact CB-CD1 4.22Å; C266-L269 HydrophobicContact CB-CG 4.31Å; C266-L269 PolarHBondContact O-N 3.12Å; S267-L269 PolarHBondContact O-N 3.37Å; L269-V271 PolarHBondContact O-N 2.83Å; L269-P272 WeakPolarHBondContact O-CD 3.47Å; L269-L273 WeakPolarHBondContact O-CB 3.44Å; L269-L273 PolarHBondContact O-N 3.07Å |
| 270 | T | 90.4 | Very high | 90.1 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -51.8 | -54.4 | -179.1 | -55 | 0 | 0 | 0 | 0 | 112.2 | C266 S267 L273 L274 M301 D309 | C266-T270 PolarHBondContact O-N 3.1Å; S267-T270 WeakPolarHBondContact CA-OG1 3.3Å; S267-T270 PolarHBondContact O-N 3.34Å; S267-T270 PolarHBondContact O-OG1 3.08Å; T270-L273 PolarHBondContact O-N 3.23Å; T270-L274 HydrophobicContact CG2-CD1 3.93Å; T270-L274 WeakPolarHBondContact O-CD1 3.29Å; T270-L274 VanDerWaalsContact O-CG 3.31Å; T270-L274 WeakPolarHBondContact O-CG 3.27Å; T270-L274 PolarHBondContact O-N 3.38Å; T270-M301 HydrophobicContact CG2-CE 3.93Å; T270-D309 HydrophobicContact CG2-CB 3.89Å; T270-D309 PolarHBondContact OG1-OD1 3.41Å |
| 271 | V | 91.1 | Very high | 89.9 | Confident | 63 Ų | 63 | 30.3 Ų | 30.3 | 38% | 0.382 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.2 | -52.2 | -177.9 | 175.5 | 0 | 0 | 0 | 0 | 112 | L269 L273 L274 D275 Q312 | L269-V271 PolarHBondContact O-N 2.83Å; V271-L273 PolarHBondContact O-N 3.13Å; V271-L274 WeakPolarHBondContact O-CB 3.41Å; V271-L274 PolarHBondContact O-N 3.42Å; V271-L274 VanDerWaalsContact O-N 3.17Å; V271-D275 PolarHBondContact O-N 2.91Å; V271-Q312 HydrophobicContact CG2-CB 4.26Å; V271-Q312 HydrophobicContact CG2-CG 4.4Å |
| 272 | P | 92.8 | Very high | 89.5 | Confident | 18 Ų | 18 | 32.2 Ų | 32.2 | 12% | 0.117 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.9 | -35.7 | 175.4 | -27.2 | 34.3 | 0 | 0 | 0 | 114.2 | L232 L269 V276 | L232-P272 HydrophobicContact CB-CB 3.8Å; L232-P272 HydrophobicContact CD1-CB 3.75Å; L232-P272 HydrophobicContact CG-CB 4.45Å; L269-P272 WeakPolarHBondContact O-CD 3.47Å; P272-V276 WeakPolarHBondContact O-CG2 3.41Å; P272-V276 PolarHBondContact O-N 3.46Å |
| 273 | L | 93.7 | Very high | 88.6 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.8 | -41.5 | 178.6 | -176.7 | 53.6 | 0 | 0 | 0 | 112 | L232 L258 L261 V262 L269 T270 V271 D275 V276 I277 M301 | L232-L273 HydrophobicContact CD1-CB 4.48Å; L232-L273 HydrophobicContact CD2-CD1 4.28Å; L258-L273 HydrophobicContact CD2-CD1 3.68Å; L261-L273 HydrophobicContact CB-CD2 4.42Å; L261-L273 HydrophobicContact CD2-CD1 4.25Å; L261-L273 HydrophobicContact CD2-CD2 4.33Å; L261-L273 HydrophobicContact CG-CD2 4.28Å; V262-L273 HydrophobicContact CB-CD2 4.33Å; V262-L273 HydrophobicContact CG2-CD1 4.4Å; V262-L273 HydrophobicContact CG2-CD2 3.47Å; V262-L273 VanDerWaalsContact CG2-CD2 3.47Å; V262-L273 HydrophobicContact CG2-CG 4.09Å; L269-L273 WeakPolarHBondContact O-CB 3.44Å; L269-L273 PolarHBondContact O-N 3.07Å; T270-L273 PolarHBondContact O-N 3.23Å; V271-L273 PolarHBondContact O-N 3.13Å; L273-D275 VanDerWaalsContact C-N 3.33Å; L273-D275 PolarHBondContact O-N 2.89Å; L273-V276 PolarHBondContact O-N 3.31Å; L273-I277 HydrophobicContact CD1-CD1 4.01Å; L273-I277 HydrophobicContact CD1-CG1 4.37Å; L273-I277 HydrophobicContact CG-CD1 3.92Å; L273-I277 WeakPolarHBondContact O-CG1 3.49Å; L273-I277 PolarHBondContact O-N 2.82Å; L273-M301 HydrophobicContact CB-CE 4.37Å; L273-M301 HydrophobicContact CD2-CE 4.22Å; L273-M301 HydrophobicContact CD2-SD 4.45Å; L273-M301 HydrophobicContact CG-CE 4.26Å; L273-M301 HydrophobicContact CG-SD 4.29Å |
| 274 | L | 92.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -43.8 | 172.4 | -75 | 158.3 | 0 | 0 | 0 | 111.5 | T270 V271 V276 I277 L278 L298 M301 A313 A316 | T270-L274 HydrophobicContact CG2-CD1 3.93Å; T270-L274 WeakPolarHBondContact O-CD1 3.29Å; T270-L274 VanDerWaalsContact O-CG 3.31Å; T270-L274 WeakPolarHBondContact O-CG 3.27Å; T270-L274 PolarHBondContact O-N 3.38Å; V271-L274 WeakPolarHBondContact O-CB 3.41Å; V271-L274 PolarHBondContact O-N 3.42Å; V271-L274 VanDerWaalsContact O-N 3.17Å; L274-V276 VanDerWaalsContact C-N 3.26Å; L274-V276 PolarHBondContact O-N 3.2Å; L274-I277 PolarHBondContact O-N 3.46Å; L274-L278 WeakPolarHBondContact O-CB 3.36Å; L274-L278 VanDerWaalsContact O-CG 3.28Å; L274-L278 WeakPolarHBondContact O-CG 3.35Å; L274-L278 PolarHBondContact O-N 3.3Å; L274-L298 HydrophobicContact CD2-CD2 4.18Å; L274-M301 HydrophobicContact CD1-CE 4.13Å; L274-M301 HydrophobicContact CD2-CB 4.47Å; L274-M301 HydrophobicContact CD2-CE 3.82Å; L274-M301 HydrophobicContact CD2-SD 3.68Å; L274-M301 HydrophobicContact CG-CE 3.51Å; L274-M301 HydrophobicContact CG-SD 3.98Å; L274-A313 HydrophobicContact CD1-CB 3.86Å; L274-A313 HydrophobicContact CD2-CB 3.91Å; L274-A313 HydrophobicContact CG-CB 4.47Å; L274-A316 HydrophobicContact CB-CB 4.3Å; L274-A316 HydrophobicContact CD1-CB 4.19Å |
| 275 | D | 92.6 | Very high | 87.6 | Confident | 81 Ų | 81 | 36.3 Ų | 36.3 | 43% | 0.433 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.1 | -41.2 | 178.8 | -68 | -24 | 0 | 0 | 0 | 111 | A236 V271 L273 A279 | A236-D275 HydrophobicContact CB-CB 4.11Å; V271-D275 PolarHBondContact O-N 2.91Å; L273-D275 VanDerWaalsContact C-N 3.33Å; L273-D275 PolarHBondContact O-N 2.89Å; D275-A279 WeakPolarHBondContact O-CB 3.19Å; D275-A279 PolarHBondContact O-N 3.42Å |
| 276 | V | 93.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.4 | -50.3 | 175 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | L232 L235 A236 L239 L258 P272 L273 L274 L278 A279 A280 | L232-V276 HydrophobicContact CB-CG2 4Å; L232-V276 HydrophobicContact CD2-CG2 3.91Å; L232-V276 WeakPolarHBondContact O-CG2 3.16Å; L235-V276 HydrophobicContact CB-CG1 4.08Å; L235-V276 HydrophobicContact CB-CG2 3.75Å; L235-V276 HydrophobicContact CD1-CG1 4.5Å; A236-V276 HydrophobicContact CB-CG2 4Å; L239-V276 HydrophobicContact CD1-CG1 3.85Å; L258-V276 HydrophobicContact CD1-CG1 3.88Å; L258-V276 HydrophobicContact CD2-CG1 4.03Å; P272-V276 WeakPolarHBondContact O-CG2 3.41Å; P272-V276 PolarHBondContact O-N 3.46Å; L273-V276 PolarHBondContact O-N 3.31Å; L274-V276 VanDerWaalsContact C-N 3.26Å; L274-V276 PolarHBondContact O-N 3.2Å; V276-L278 PolarHBondContact O-N 2.9Å; V276-A279 PolarHBondContact O-N 3.3Å; V276-A280 WeakPolarHBondContact O-CB 3.46Å; V276-A280 PolarHBondContact O-N 2.86Å |
| 277 | I | 92.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -42.1 | -175.7 | -66.5 | 164.6 | 0 | 0 | 0 | 110.6 | V262 L273 L274 A280 N281 L294 L297 L298 M301 | V262-I277 HydrophobicContact CG2-CD1 4.15Å; L273-I277 HydrophobicContact CD1-CD1 4.01Å; L273-I277 HydrophobicContact CD1-CG1 4.37Å; L273-I277 HydrophobicContact CG-CD1 3.92Å; L273-I277 WeakPolarHBondContact O-CG1 3.49Å; L273-I277 PolarHBondContact O-N 2.82Å; L274-I277 PolarHBondContact O-N 3.46Å; I277-A280 PolarHBondContact O-N 3.46Å; I277-N281 WeakPolarHBondContact O-CB 3.37Å; I277-N281 PolarHBondContact O-N 3.24Å; I277-L294 HydrophobicContact CB-CD2 4.49Å; I277-L294 HydrophobicContact CG1-CD2 4.43Å; I277-L294 HydrophobicContact CG2-CB 4.29Å; I277-L294 HydrophobicContact CG2-CD2 4.03Å; I277-L297 HydrophobicContact CD1-CB 4.03Å; I277-L297 HydrophobicContact CD1-CD1 4.21Å; I277-L297 HydrophobicContact CG1-CD1 4.4Å; I277-L298 HydrophobicContact CB-CD2 4.33Å; I277-L298 HydrophobicContact CG2-CD1 4.28Å; I277-L298 HydrophobicContact CG2-CD2 3.53Å; I277-L298 HydrophobicContact CG2-CG 3.63Å; I277-M301 HydrophobicContact CD1-SD 3.63Å |
| 278 | L | 91.3 | Very high | 85.4 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.2 | -41.7 | 177.8 | -67.8 | 173.9 | 0 | 0 | 0 | 111.8 | L274 V276 A280 N281 S282 L298 A316 V317 | L274-L278 WeakPolarHBondContact O-CB 3.36Å; L274-L278 VanDerWaalsContact O-CG 3.28Å; L274-L278 WeakPolarHBondContact O-CG 3.35Å; L274-L278 PolarHBondContact O-N 3.3Å; V276-L278 PolarHBondContact O-N 2.9Å; L278-A280 VanDerWaalsContact C-N 3.33Å; L278-A280 PolarHBondContact O-N 2.91Å; L278-N281 PolarHBondContact O-N 3.28Å; L278-S282 PolarHBondContact O-N 2.96Å; L278-L298 HydrophobicContact CD2-CD1 4.18Å; L278-L298 HydrophobicContact CD2-CD2 4.04Å; L278-L298 HydrophobicContact CG-CD2 4.47Å; L278-A316 HydrophobicContact CD1-CB 3.69Å; L278-A316 WeakPolarHBondContact CD1-O 3.27Å; L278-V317 HydrophobicContact CD2-CG2 4.38Å |
| 279 | A | 90.8 | Very high | 84.6 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.5 | -46.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | L239 V240 D275 V276 S282 | L239-A279 HydrophobicContact CB-CB 4.01Å; V240-A279 HydrophobicContact CG2-CB 3.72Å; D275-A279 WeakPolarHBondContact O-CB 3.19Å; D275-A279 PolarHBondContact O-N 3.42Å; V276-A279 PolarHBondContact O-N 3.3Å; A279-S282 PolarHBondContact O-OG 3.43Å |
| 280 | A | 89.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | L239 L251 V276 I277 L278 S282 G283 L284 L294 | L239-A280 HydrophobicContact CD1-CB 3.92Å; L239-A280 HydrophobicContact CD2-CB 4.49Å; L251-A280 HydrophobicContact CD1-CB 3.94Å; L251-A280 HydrophobicContact CD2-CB 4.4Å; V276-A280 WeakPolarHBondContact O-CB 3.46Å; V276-A280 PolarHBondContact O-N 2.86Å; I277-A280 PolarHBondContact O-N 3.46Å; L278-A280 VanDerWaalsContact C-N 3.33Å; L278-A280 PolarHBondContact O-N 2.91Å; A280-S282 VanDerWaalsContact C-N 3.34Å; A280-S282 PolarHBondContact O-N 3.16Å; A280-G283 PolarHBondContact O-N 2.88Å; A280-L284 WeakPolarHBondContact O-CD1 3.25Å; A280-L284 WeakPolarHBondContact O-CG 3.26Å; A280-L294 HydrophobicContact CB-CD1 3.52Å; A280-L294 HydrophobicContact CB-CD2 4.11Å; A280-L294 HydrophobicContact CB-CG 4.49Å |
| 281 | N | 86.3 | Confident | 84 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -37.3 | -175.7 | -171.4 | 58.6 | 0 | 0 | 0 | 112.8 | I277 L278 G283 L284 K291 Q322 | I277-N281 WeakPolarHBondContact O-CB 3.37Å; I277-N281 PolarHBondContact O-N 3.24Å; L278-N281 PolarHBondContact O-N 3.28Å; N281-G283 PolarHBondContact O-N 3.49Å; N281-G283 VanDerWaalsContact O-N 3.16Å; N281-L284 PolarHBondContact O-N 3.48Å; N281-K291 WeakPolarHBondContact OD1-CG 3.5Å; N281-Q322 PolarHBondContact ND2-O 3.45Å |
| 282 | S | 81.2 | Confident | 83.8 | Confident | 45 Ų | 45 | 47.4 Ų | 47.4 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -15 | -178.5 | 71.7 | 0 | 0 | 0 | 0 | 115.1 | L278 A279 A280 Q322 | L278-S282 PolarHBondContact O-N 2.96Å; A279-S282 PolarHBondContact O-OG 3.43Å; A280-S282 VanDerWaalsContact C-N 3.34Å; A280-S282 PolarHBondContact O-N 3.16Å; S282-Q322 VanDerWaalsContact C-OE1 3.3Å; S282-Q322 VanDerWaalsContact CA-OE1 3.26Å; S282-Q322 PolarHBondContact O-NE2 2.91Å; S282-Q322 PolarHBondContact O-OE1 3.34Å |
| 283 | G | 73.4 | Confident | 83.7 | Confident | 25 Ų | 25 | 49.4 Ų | 49.4 | 26% | 0.258 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 0.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R247 A280 N281 | R247-G283 PolarHBondContact NH1-O 3.36Å; A280-G283 PolarHBondContact O-N 2.88Å; N281-G283 PolarHBondContact O-N 3.49Å; N281-G283 VanDerWaalsContact O-N 3.16Å |
| 284 | L | 77.9 | Confident | 83.6 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -111.6 | 142.9 | -168.9 | -70.1 | 170.1 | 0 | 0 | 0 | 112.8 | L251 A280 N281 P290 K291 L294 | L251-L284 HydrophobicContact CD2-CD1 3.71Å; L251-L284 HydrophobicContact CD2-CD2 4.31Å; L251-L284 HydrophobicContact CD2-CG 4.5Å; A280-L284 WeakPolarHBondContact O-CD1 3.25Å; A280-L284 WeakPolarHBondContact O-CG 3.26Å; N281-L284 PolarHBondContact O-N 3.48Å; L284-P290 HydrophobicContact CD1-CB 4.26Å; L284-K291 HydrophobicContact CB-CB 4.29Å; L284-K291 HydrophobicContact CB-CD 4.26Å; L284-K291 HydrophobicContact CB-CG 4.49Å; L284-K291 HydrophobicContact CD1-CB 4.18Å; L284-K291 PolarHBondContact O-NZ 2.84Å; L284-K291 VanDerWaalsContact O-NZ 3.13Å; L284-L294 HydrophobicContact CD1-CD1 3.56Å |
| 285 | R | 72.8 | Confident | 83.4 | Confident | 218 Ų | 218 | 51 Ų | 51 | 82% | 0.823 | 27% | 0.265 | S | S | * | . | trans | -63.8 | 147 | 170.4 | -66.2 | -179.6 | 179 | -96.9 | 0.3 | 110.6 | D287 C288 K291 | R285-D287 PolarHBondContact O-N 2.91Å; R285-C288 PolarHBondContact O-N 3.1Å; R285-C288 PolarHBondContact O-SG 3.49Å; R285-K291 VanDerWaalsContact O-CD 3.27Å; R285-K291 WeakPolarHBondContact O-CD 3.45Å | ||
| 286 | D | 67.1 | Low | 83.4 | Confident | 124 Ų | 124 | 55.2 Ų | 55.2 | 66% | 0.663 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -33.8 | -174.2 | -67.3 | -29.1 | 0 | 0 | 0 | 113.9 | K291 | D286-K291 IonicContact OD1-NZ 3.22Å; D286-K291 PolarHBondContact OD1-NZ 2.82Å |
| 287 | D | 66.1 | Low | 83.4 | Confident | 154 Ų | 154 | 55.7 Ų | 55.7 | 82% | 0.824 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 8.8 | -172.3 | -60.1 | -39.5 | 0 | 0 | 0 | 115.2 | R285 | R285-D287 PolarHBondContact O-N 2.91Š|
| 288 | C | 77 | Confident | 83.4 | Confident | 34 Ų | 34 | 55.8 Ų | 55.8 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | trans | -86 | 139.2 | -177.7 | 81.3 | 0 | 0 | 0 | 0 | 112.7 | R285 P290 K291 Q292 | R285-C288 PolarHBondContact O-N 3.1Å; R285-C288 PolarHBondContact O-SG 3.49Å; C288-P290 VanDerWaalsContact C-CD 3.45Å; C288-P290 VanDerWaalsContact C-N 3.34Å; C288-K291 WeakPolarHBondContact O-CB 3.27Å; C288-K291 PolarHBondContact O-N 3.41Å; C288-K291 VanDerWaalsContact SG-CB 3.59Å; C288-Q292 PolarHBondContact O-N 3.24Å | ||
| 289 | V | 74.2 | Confident | 83.5 | Confident | 101 Ų | 101 | 59 Ų | 59 | 61% | 0.612 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -53.1 | -41.5 | 178.8 | 177.6 | 0 | 0 | 0 | 0 | 113.2 | K291 Q292 R293 | V289-K291 VanDerWaalsContact C-N 3.27Å; V289-K291 PolarHBondContact O-N 2.73Å; V289-Q292 PolarHBondContact O-N 2.96Å; V289-R293 PolarHBondContact O-N 3.36Å |
| 290 | P | 82.3 | Confident | 83.6 | Confident | 23 Ų | 23 | 62.2 Ų | 62.2 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -36 | 175.4 | -25.7 | 35.5 | 0 | 0 | 0 | 113.5 | L251 L252 L284 C288 R293 L294 | L251-P290 HydrophobicContact CD2-CB 3.68Å; L251-P290 HydrophobicContact CG-CB 4.44Å; L252-P290 HydrophobicContact CD2-CG 4.25Å; L284-P290 HydrophobicContact CD1-CB 4.26Å; C288-P290 VanDerWaalsContact C-CD 3.45Å; C288-P290 VanDerWaalsContact C-N 3.34Å; P290-R293 PolarHBondContact O-N 2.78Å; P290-L294 VanDerWaalsContact O-CG 3.3Å; P290-L294 WeakPolarHBondContact O-CG 3.34Å; P290-L294 PolarHBondContact O-N 2.98Å |
| 291 | K | 84.8 | Confident | 83.8 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 6% | 0.057 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 179.9 | -169.3 | 172.6 | -173.5 | 160.5 | 0 | 112 | N281 L284 R285 D286 C288 V289 R293 L294 I295 | N281-K291 WeakPolarHBondContact OD1-CG 3.5Å; L284-K291 HydrophobicContact CB-CB 4.29Å; L284-K291 HydrophobicContact CB-CD 4.26Å; L284-K291 HydrophobicContact CB-CG 4.49Å; L284-K291 HydrophobicContact CD1-CB 4.18Å; L284-K291 PolarHBondContact O-NZ 2.84Å; L284-K291 VanDerWaalsContact O-NZ 3.13Å; R285-K291 VanDerWaalsContact O-CD 3.27Å; R285-K291 WeakPolarHBondContact O-CD 3.45Å; D286-K291 IonicContact OD1-NZ 3.22Å; D286-K291 PolarHBondContact OD1-NZ 2.82Å; C288-K291 WeakPolarHBondContact O-CB 3.27Å; C288-K291 PolarHBondContact O-N 3.41Å; C288-K291 VanDerWaalsContact SG-CB 3.59Å; V289-K291 VanDerWaalsContact C-N 3.27Å; V289-K291 PolarHBondContact O-N 2.73Å; K291-R293 VanDerWaalsContact C-N 3.27Å; K291-R293 PolarHBondContact O-N 3.47Å; K291-L294 PolarHBondContact O-N 3.17Å; K291-I295 HydrophobicContact CG-CD1 4.12Å; K291-I295 WeakPolarHBondContact O-CG1 3.37Å; K291-I295 PolarHBondContact O-N 3.19Å |
| 292 | Q | 86.3 | Confident | 84.1 | Confident | 105 Ų | 105 | 62.2 Ų | 62.2 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.3 | -37.9 | 175.7 | -66.2 | -177.6 | -4.4 | 0 | 0 | 112.1 | C288 V289 R296 | C288-Q292 PolarHBondContact O-N 3.24Å; V289-Q292 PolarHBondContact O-N 2.96Å; Q292-R296 WeakPolarHBondContact O-CG 3.45Å; Q292-R296 PolarHBondContact O-N 3.46Å; Q292-R296 VanDerWaalsContact O-N 3.08Å |
| 293 | R | 91 | Very high | 84.5 | Confident | 60 Ų | 60 | 64.5 Ų | 64.5 | 23% | 0.226 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.3 | -44.7 | 174.9 | -66.8 | 176.8 | 69.1 | 179.9 | 4.5 | 111.6 | I255 N256 E259 V289 P290 K291 I295 R296 L297 | I255-R293 HydrophobicContact CD1-CB 4.34Å; I255-R293 HydrophobicContact CG1-CB 4.43Å; I255-R293 VanDerWaalsContact CG2-NH1 3.28Å; N256-R293 PolarHBondContact OD1-NH2 3.37Å; E259-R293 IonicContact OE1-CZ 2.76Å; E259-R293 VanDerWaalsContact OE1-CZ 3.23Å; E259-R293 IonicContact OE1-NE 3.48Å; E259-R293 PolarHBondContact OE1-NE 3.22Å; E259-R293 IonicContact OE1-NH2 3.81Å; E259-R293 PolarHBondContact OE1-NH2 3.37Å; E259-R293 IonicContact OE2-CZ 3.01Å; E259-R293 IonicContact OE2-NH2 3.52Å; E259-R293 PolarHBondContact OE2-NH2 2.86Å; V289-R293 PolarHBondContact O-N 3.36Å; P290-R293 PolarHBondContact O-N 2.78Å; K291-R293 VanDerWaalsContact C-N 3.27Å; K291-R293 PolarHBondContact O-N 3.47Å; R293-I295 PolarHBondContact O-N 3.3Å; R293-R296 WeakPolarHBondContact O-CB 3.2Å; R293-R296 PolarHBondContact O-N 3.34Å; R293-R296 VanDerWaalsContact O-N 3.16Å; R293-L297 WeakPolarHBondContact O-CG 3.4Å; R293-L297 PolarHBondContact O-N 3.46Å |
| 294 | L | 91.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 176.5 | -67.2 | 168.7 | 0 | 0 | 0 | 112.3 | L251 I255 I277 A280 L284 P290 K291 R296 L297 L298 | L251-L294 HydrophobicContact CD1-CD1 4.47Å; L251-L294 HydrophobicContact CD1-CD2 4.34Å; L251-L294 HydrophobicContact CD2-CD1 4.11Å; I255-L294 HydrophobicContact CD1-CD2 3.76Å; I255-L294 HydrophobicContact CD1-CG 4.1Å; I277-L294 HydrophobicContact CB-CD2 4.49Å; I277-L294 HydrophobicContact CG1-CD2 4.43Å; I277-L294 HydrophobicContact CG2-CB 4.29Å; I277-L294 HydrophobicContact CG2-CD2 4.03Å; A280-L294 HydrophobicContact CB-CD1 3.52Å; A280-L294 HydrophobicContact CB-CD2 4.11Å; A280-L294 HydrophobicContact CB-CG 4.49Å; L284-L294 HydrophobicContact CD1-CD1 3.56Å; P290-L294 VanDerWaalsContact O-CG 3.3Å; P290-L294 WeakPolarHBondContact O-CG 3.34Å; P290-L294 PolarHBondContact O-N 2.98Å; K291-L294 PolarHBondContact O-N 3.17Å; L294-R296 VanDerWaalsContact C-N 3.32Å; L294-R296 PolarHBondContact O-N 2.95Å; L294-L297 HydrophobicContact CD2-CD1 4.45Å; L294-L297 WeakPolarHBondContact O-CB 3.43Å; L294-L297 PolarHBondContact O-N 3.15Å; L294-L297 VanDerWaalsContact O-N 3.16Å; L294-L298 WeakPolarHBondContact O-CG 3.41Å; L294-L298 PolarHBondContact O-N 3.38Å |
| 295 | I | 90.1 | Very high | 85.8 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 21% | 0.205 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 174.3 | -69.7 | 167.9 | 0 | 0 | 0 | 110.7 | K291 R293 L297 L298 W299 L327 | K291-I295 HydrophobicContact CG-CD1 4.12Å; K291-I295 WeakPolarHBondContact O-CG1 3.37Å; K291-I295 PolarHBondContact O-N 3.19Å; R293-I295 PolarHBondContact O-N 3.3Å; I295-L297 VanDerWaalsContact C-N 3.34Å; I295-L297 PolarHBondContact O-N 2.94Å; I295-L298 PolarHBondContact O-N 3.2Å; I295-W299 PolarHBondContact O-N 3.28Å; I295-L327 HydrophobicContact CG2-CD1 4.32Å |
| 296 | R | 91.9 | Very high | 86.7 | Confident | 170 Ų | 170 | 63 Ų | 63 | 64% | 0.642 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.4 | -41.3 | 173.8 | -71.2 | 172.6 | -174.3 | -169.6 | 2.4 | 111.9 | Q292 R293 L294 W299 V300 | Q292-R296 WeakPolarHBondContact O-CG 3.45Å; Q292-R296 PolarHBondContact O-N 3.46Å; Q292-R296 VanDerWaalsContact O-N 3.08Å; R293-R296 WeakPolarHBondContact O-CB 3.2Å; R293-R296 PolarHBondContact O-N 3.34Å; R293-R296 VanDerWaalsContact O-N 3.16Å; L294-R296 VanDerWaalsContact C-N 3.32Å; L294-R296 PolarHBondContact O-N 2.95Å; R296-W299 WeakPolarHBondContact O-CB 3.46Å; R296-W299 PolarHBondContact O-N 3.36Å; R296-V300 WeakPolarHBondContact O-CG2 3.48Å; R296-V300 PolarHBondContact O-N 2.97Å |
| 297 | L | 93.6 | Very high | 87.9 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.5 | -69.1 | -176.6 | 0 | 0 | 0 | 112.1 | L258 E259 V262 I277 R293 L294 I295 W299 V300 M301 | L258-L297 HydrophobicContact CB-CD1 4.32Å; E259-L297 HydrophobicContact CB-CD2 4.3Å; E259-L297 HydrophobicContact CG-CD1 4.18Å; E259-L297 HydrophobicContact CG-CD2 3.58Å; E259-L297 HydrophobicContact CG-CG 4.2Å; V262-L297 HydrophobicContact CB-CD2 4.15Å; V262-L297 HydrophobicContact CG1-CD2 4.34Å; V262-L297 HydrophobicContact CG2-CD2 3.96Å; I277-L297 HydrophobicContact CD1-CB 4.03Å; I277-L297 HydrophobicContact CD1-CD1 4.21Å; I277-L297 HydrophobicContact CG1-CD1 4.4Å; R293-L297 WeakPolarHBondContact O-CG 3.4Å; R293-L297 PolarHBondContact O-N 3.46Å; L294-L297 HydrophobicContact CD2-CD1 4.45Å; L294-L297 WeakPolarHBondContact O-CB 3.43Å; L294-L297 PolarHBondContact O-N 3.15Å; L294-L297 VanDerWaalsContact O-N 3.16Å; I295-L297 VanDerWaalsContact C-N 3.34Å; I295-L297 PolarHBondContact O-N 2.94Å; L297-W299 VanDerWaalsContact C-N 3.3Å; L297-W299 PolarHBondContact O-N 3.49Å; L297-V300 PolarHBondContact O-N 2.91Å; L297-V300 VanDerWaalsContact O-N 3.13Å; L297-M301 WeakPolarHBondContact O-CG 3.36Å; L297-M301 PolarHBondContact O-N 2.79Å |
| 298 | L | 93.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 174.9 | -69 | 174.6 | 0 | 0 | 0 | 111.4 | L274 I277 L278 L294 I295 V300 M301 L302 V317 L327 | L274-L298 HydrophobicContact CD2-CD2 4.18Å; I277-L298 HydrophobicContact CB-CD2 4.33Å; I277-L298 HydrophobicContact CG2-CD1 4.28Å; I277-L298 HydrophobicContact CG2-CD2 3.53Å; I277-L298 HydrophobicContact CG2-CG 3.63Å; L278-L298 HydrophobicContact CD2-CD1 4.18Å; L278-L298 HydrophobicContact CD2-CD2 4.04Å; L278-L298 HydrophobicContact CG-CD2 4.47Å; L294-L298 WeakPolarHBondContact O-CG 3.41Å; L294-L298 PolarHBondContact O-N 3.38Å; I295-L298 PolarHBondContact O-N 3.2Å; L298-V300 PolarHBondContact O-N 3.03Å; L298-M301 PolarHBondContact O-N 3.11Å; L298-L302 VanDerWaalsContact O-CG 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.41Å; L298-L302 PolarHBondContact O-N 3.35Å; L298-V317 HydrophobicContact CD2-CG2 4.01Å; L298-L327 HydrophobicContact CB-CD1 4.05Å; L298-L327 HydrophobicContact CB-CD2 4.16Å; L298-L327 HydrophobicContact CD1-CD1 3.72Å |
| 299 | W | 93.3 | Very high | 89.8 | Confident | 88 Ų | 88 | 51.8 Ų | 51.8 | 33% | 0.333 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 174 | -88.5 | 111 | 0 | 0 | 0 | 113.1 | I295 R296 L297 M301 L302 N303 A326 L327 H330 | I295-W299 PolarHBondContact O-N 3.28Å; R296-W299 WeakPolarHBondContact O-CB 3.46Å; R296-W299 PolarHBondContact O-N 3.36Å; L297-W299 VanDerWaalsContact C-N 3.3Å; L297-W299 PolarHBondContact O-N 3.49Å; W299-M301 VanDerWaalsContact C-N 3.32Å; W299-M301 PolarHBondContact O-N 2.9Å; W299-L302 PolarHBondContact O-N 3.24Å; W299-N303 WeakPolarHBondContact O-CB 2.95Å; W299-N303 PolarHBondContact O-N 3.2Å; W299-N303 VanDerWaalsContact O-N 3.14Å; W299-N303 PolarHBondContact O-ND2 2.82Å; W299-A326 HydrophobicContact CZ2-CB 4.35Å; W299-L327 HydrophobicContact CD2-CD2 3.86Å; W299-L327 HydrophobicContact CG-CD2 3.86Å; W299-L327 HydrophobicContact CZ2-CD2 4.32Å; W299-H330 HydrophobicContact CH2-CB 3.93Å; W299-H330 HydrophobicContact CZ3-CB 4.12Å; W299-H330 AromaticContact CZ3-CD2 3.57Å; W299-H330 AromaticContact CZ3-CG 3.71Å; W299-H330 AromaticContact CZ3-NE2 3.99Å |
| 300 | V | 92.9 | Very high | 90.8 | Very high | 76 Ų | 76 | 47 Ų | 47 | 46% | 0.461 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | V262 R296 L297 L298 N303 M304 | V262-V300 HydrophobicContact CG1-CB 3.98Å; V262-V300 HydrophobicContact CG1-CG1 3.46Å; V262-V300 VanDerWaalsContact CG1-CG1 3.46Å; R296-V300 WeakPolarHBondContact O-CG2 3.48Å; R296-V300 PolarHBondContact O-N 2.97Å; L297-V300 PolarHBondContact O-N 2.91Å; L297-V300 VanDerWaalsContact O-N 3.13Å; L298-V300 PolarHBondContact O-N 3.03Å; V300-N303 CarbonylContact O-C 3.53Å; V300-N303 PolarHBondContact O-N 3.49Å; V300-M304 WeakPolarHBondContact O-CG 3.3Å; V300-M304 PolarHBondContact O-N 3.15Å |
| 301 | M | 93.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.9 | -37.9 | 179.4 | -65.7 | -170.9 | 80.4 | 0 | 0 | 112.9 | V262 T270 L273 L274 I277 L297 L298 W299 N303 M304 A313 | V262-M301 HydrophobicContact CG1-CG 4.01Å; V262-M301 HydrophobicContact CG2-CG 4.28Å; V262-M301 HydrophobicContact CG2-SD 4.22Å; T270-M301 HydrophobicContact CG2-CE 3.93Å; L273-M301 HydrophobicContact CB-CE 4.37Å; L273-M301 HydrophobicContact CD2-CE 4.22Å; L273-M301 HydrophobicContact CD2-SD 4.45Å; L273-M301 HydrophobicContact CG-CE 4.26Å; L273-M301 HydrophobicContact CG-SD 4.29Å; L274-M301 HydrophobicContact CD1-CE 4.13Å; L274-M301 HydrophobicContact CD2-CB 4.47Å; L274-M301 HydrophobicContact CD2-CE 3.82Å; L274-M301 HydrophobicContact CD2-SD 3.68Å; L274-M301 HydrophobicContact CG-CE 3.51Å; L274-M301 HydrophobicContact CG-SD 3.98Å; I277-M301 HydrophobicContact CD1-SD 3.63Å; L297-M301 WeakPolarHBondContact O-CG 3.36Å; L297-M301 PolarHBondContact O-N 2.79Å; L298-M301 PolarHBondContact O-N 3.11Å; W299-M301 VanDerWaalsContact C-N 3.32Å; W299-M301 PolarHBondContact O-N 2.9Å; M301-N303 VanDerWaalsContact C-N 3.26Å; M301-N303 PolarHBondContact O-N 3.06Å; M301-M304 HydrophobicContact CB-SD 4.4Å; M301-M304 WeakPolarHBondContact O-CG 3.46Å; M301-M304 PolarHBondContact O-N 3.42Å; M301-A313 HydrophobicContact CB-CB 4.28Å |
| 302 | L | 92 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.6 | -21.3 | 176.4 | -69.2 | 171.5 | 0 | 0 | 0 | 113.1 | L298 W299 V310 A313 A314 V317 L327 | L298-L302 VanDerWaalsContact O-CG 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.41Å; L298-L302 PolarHBondContact O-N 3.35Å; W299-L302 PolarHBondContact O-N 3.24Å; L302-V310 WeakPolarHBondContact O-CG1 3.06Å; L302-A313 HydrophobicContact CD2-CB 4Å; L302-A314 HydrophobicContact CD2-CB 3.89Å; L302-V317 HydrophobicContact CD1-CG2 4.42Å; L302-V317 HydrophobicContact CD2-CG2 4.41Å; L302-L327 HydrophobicContact CD1-CD2 3.63Å |
| 303 | N | 90 | Very high | 92.1 | Very high | 93 Ų | 93 | 43.7 Ų | 43.7 | 50% | 0.497 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 15.4 | 178 | -69.9 | -63.5 | 0 | 0 | 0 | 113.7 | W299 V300 M301 | W299-N303 WeakPolarHBondContact O-CB 2.95Å; W299-N303 PolarHBondContact O-N 3.2Å; W299-N303 VanDerWaalsContact O-N 3.14Å; W299-N303 PolarHBondContact O-ND2 2.82Å; V300-N303 CarbonylContact O-C 3.53Å; V300-N303 PolarHBondContact O-N 3.49Å; M301-N303 VanDerWaalsContact C-N 3.26Å; M301-N303 PolarHBondContact O-N 3.06Å |
| 304 | M | 89.6 | Confident | 92.3 | Very high | 17 Ų | 17 | 40.9 Ų | 40.9 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | trans | -63.8 | 144.4 | 178 | -70.3 | 174.5 | 71 | 0 | 0 | 111.5 | V300 M301 K306 D309 V310 | V300-M304 WeakPolarHBondContact O-CG 3.3Å; V300-M304 PolarHBondContact O-N 3.15Å; M301-M304 HydrophobicContact CB-SD 4.4Å; M301-M304 WeakPolarHBondContact O-CG 3.46Å; M301-M304 PolarHBondContact O-N 3.42Å; M304-K306 HydrophobicContact CE-CD 4.26Å; M304-K306 PolarHBondContact O-N 3.28Å; M304-D309 HydrophobicContact CE-CB 4.34Å; M304-V310 HydrophobicContact CB-CG2 3.63Å; M304-V310 WeakPolarHBondContact O-CG2 3.41Å | ||
| 305 | K | 89.5 | Confident | 92.4 | Very high | 134 Ų | 134 | 41 Ų | 41 | 58% | 0.583 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -81.3 | 41.2 | 175.9 | -60.1 | -169.8 | 177.9 | -162.2 | 0 | 112.6 | E356 L360 | K305-E356 WeakPolarHBondContact CE-OE1 3.37Å; K305-E356 WeakPolarHBondContact CE-OE2 3.18Å; K305-E356 IonicContact NZ-OE1 2.73Å; K305-E356 PolarHBondContact NZ-OE1 3.35Å; K305-E356 IonicContact NZ-OE2 3.43Å; K305-E356 PolarHBondContact NZ-OE2 2.67Å; K305-L360 HydrophobicContact CB-CD1 3.96Å; K305-L360 HydrophobicContact CG-CD1 4.47Å |
| 306 | K | 90.9 | Very high | 92.5 | Very high | 77 Ų | 77 | 39.7 Ų | 39.7 | 34% | 0.335 | 19% | 0.187 | S | C | . | . | trans | -138 | 97.5 | -174.6 | -68.9 | -169.5 | 177.5 | -172.4 | 0 | 110 | S265 S267 M304 V308 D309 V310 | S265-K306 PolarHBondContact O-NZ 3.35Å; S267-K306 PolarHBondContact OG-NZ 3.41Å; S267-K306 VanDerWaalsContact OG-NZ 3.09Å; M304-K306 HydrophobicContact CE-CD 4.26Å; M304-K306 PolarHBondContact O-N 3.28Å; K306-V308 PolarHBondContact O-N 2.9Å; K306-D309 HydrophobicContact CB-CB 3.92Å; K306-D309 WeakPolarHBondContact CD-OD2 3.11Å; K306-D309 PolarHBondContact O-N 2.79Å; K306-D309 VanDerWaalsContact O-N 3.13Å; K306-V310 WeakPolarHBondContact O-CG2 3.47Å; K306-V310 PolarHBondContact O-N 3.13Å | ||
| 307 | P | 91.9 | Very high | 92.6 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 5% | 0.045 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -51.8 | -46 | -171.8 | -37.1 | 42.4 | 0 | 0 | 0 | 115.6 | M311 L360 I361 Q364 M373 | P307-M311 WeakPolarHBondContact O-CB 3.14Å; P307-M311 VanDerWaalsContact O-CG 3.26Å; P307-M311 WeakPolarHBondContact O-CG 3.29Å; P307-M311 PolarHBondContact O-N 3.09Å; P307-L360 HydrophobicContact CG-CB 3.78Å; P307-I361 HydrophobicContact CB-CG1 3.98Å; P307-I361 HydrophobicContact CG-CG1 4.24Å; P307-Q364 HydrophobicContact CB-CB 4.29Å; P307-Q364 HydrophobicContact CB-CG 3.82Å; P307-Q364 HydrophobicContact CG-CB 4.45Å; P307-Q364 HydrophobicContact CG-CG 3.62Å; P307-M373 HydrophobicContact CB-CE 3.9Å |
| 308 | V | 91.4 | Very high | 92.5 | Very high | 60 Ų | 60 | 31.7 Ų | 31.7 | 36% | 0.364 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.9 | -43.8 | -178.8 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | K306 M311 Q312 | K306-V308 PolarHBondContact O-N 2.9Å; V308-M311 PolarHBondContact O-N 3.34Å; V308-Q312 WeakPolarHBondContact O-CG 3.43Å; V308-Q312 PolarHBondContact O-N 2.94Å |
| 309 | D | 92.5 | Very high | 92.2 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.9 | -43.4 | -178.8 | -64.7 | -20.5 | 0 | 0 | 0 | 110.9 | S267 T270 M304 K306 M311 Q312 A313 | S267-D309 WeakPolarHBondContact CB-OD1 3.31Å; S267-D309 VanDerWaalsContact CB-OD2 3.25Å; S267-D309 WeakPolarHBondContact CB-OD2 3.27Å; S267-D309 PolarHBondContact OG-OD2 2.89Å; T270-D309 HydrophobicContact CG2-CB 3.89Å; T270-D309 PolarHBondContact OG1-OD1 3.41Å; M304-D309 HydrophobicContact CE-CB 4.34Å; K306-D309 HydrophobicContact CB-CB 3.92Å; K306-D309 WeakPolarHBondContact CD-OD2 3.11Å; K306-D309 PolarHBondContact O-N 2.79Å; K306-D309 VanDerWaalsContact O-N 3.13Å; D309-M311 PolarHBondContact O-N 3.2Å; D309-Q312 WeakPolarHBondContact O-CB 3.49Å; D309-Q312 PolarHBondContact O-N 3.48Å; D309-A313 PolarHBondContact O-N 3.37Å |
| 310 | V | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 176.5 | 166.4 | 0 | 0 | 0 | 0 | 111.9 | L302 M304 K306 Q312 A313 A314 V334 L357 | L302-V310 WeakPolarHBondContact O-CG1 3.06Å; M304-V310 HydrophobicContact CB-CG2 3.63Å; M304-V310 WeakPolarHBondContact O-CG2 3.41Å; K306-V310 WeakPolarHBondContact O-CG2 3.47Å; K306-V310 PolarHBondContact O-N 3.13Å; V310-Q312 VanDerWaalsContact C-N 3.32Å; V310-Q312 PolarHBondContact O-N 3.44Å; V310-A313 PolarHBondContact O-N 3.03Å; V310-A314 WeakPolarHBondContact O-CB 3.38Å; V310-A314 PolarHBondContact O-N 3.05Å; V310-V334 HydrophobicContact CG1-CB 4.46Å; V310-V334 HydrophobicContact CG1-CG1 3.42Å; V310-V334 VanDerWaalsContact CG1-CG1 3.42Å; V310-V334 HydrophobicContact CG1-CG2 4.17Å; V310-L357 HydrophobicContact CG1-CD1 4.46Å; V310-L357 HydrophobicContact CG1-CD2 4.34Å |
| 311 | M | 93.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -37.7 | 175.5 | -74.5 | -166.8 | 75.1 | 0 | 0 | 112.3 | P307 V308 D309 A315 L335 P338 M373 V376 C377 | P307-M311 WeakPolarHBondContact O-CB 3.14Å; P307-M311 VanDerWaalsContact O-CG 3.26Å; P307-M311 WeakPolarHBondContact O-CG 3.29Å; P307-M311 PolarHBondContact O-N 3.09Å; V308-M311 PolarHBondContact O-N 3.34Å; D309-M311 PolarHBondContact O-N 3.2Å; M311-A315 WeakPolarHBondContact O-CB 3.46Å; M311-A315 PolarHBondContact O-N 2.89Å; M311-L335 HydrophobicContact CE-CD2 4.35Å; M311-P338 HydrophobicContact CE-CG 3.66Å; M311-P338 HydrophobicContact SD-CG 3.79Å; M311-M373 HydrophobicContact CE-CB 4.23Å; M311-M373 WeakPolarHBondContact CE-O 3.42Å; M311-M373 HydrophobicContact CG-CE 4.47Å; M311-M373 HydrophobicContact SD-CB 3.62Å; M311-M373 HydrophobicContact SD-CE 3.4Å; M311-M373 WeakPolarHBondContact SD-CE 3.34Å; M311-M373 HydrophobicContact SD-CG 3.67Å; M311-M373 HydrophobicContact SD-SD 4.39Å; M311-V376 HydrophobicContact CB-CG1 4.42Å; M311-V376 HydrophobicContact CE-CB 4.09Å; M311-V376 HydrophobicContact CE-CG1 4Å; M311-C377 HydrophobicContact CE-CB 4.38Å |
| 312 | Q | 93.3 | Very high | 89.4 | Confident | 68 Ų | 68 | 45.5 Ų | 45.5 | 32% | 0.318 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.1 | -41.3 | 174.4 | -72.5 | 173.6 | -5.5 | 0 | 0 | 111.6 | V271 V308 D309 V310 A315 A316 | V271-Q312 HydrophobicContact CG2-CB 4.26Å; V271-Q312 HydrophobicContact CG2-CG 4.4Å; V308-Q312 WeakPolarHBondContact O-CG 3.43Å; V308-Q312 PolarHBondContact O-N 2.94Å; D309-Q312 WeakPolarHBondContact O-CB 3.49Å; D309-Q312 PolarHBondContact O-N 3.48Å; V310-Q312 VanDerWaalsContact C-N 3.32Å; V310-Q312 PolarHBondContact O-N 3.44Å; Q312-A315 PolarHBondContact O-N 3.39Å; Q312-A316 WeakPolarHBondContact O-CB 3.33Å; Q312-A316 PolarHBondContact O-N 3.26Å |
| 313 | A | 94.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -50.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L274 M301 L302 D309 V310 A315 A316 V317 | L274-A313 HydrophobicContact CD1-CB 3.86Å; L274-A313 HydrophobicContact CD2-CB 3.91Å; L274-A313 HydrophobicContact CG-CB 4.47Å; M301-A313 HydrophobicContact CB-CB 4.28Å; L302-A313 HydrophobicContact CD2-CB 4Å; D309-A313 PolarHBondContact O-N 3.37Å; V310-A313 PolarHBondContact O-N 3.03Å; A313-A315 VanDerWaalsContact C-N 3.34Å; A313-A315 PolarHBondContact O-N 2.98Å; A313-A316 PolarHBondContact O-N 2.93Å; A313-A316 VanDerWaalsContact O-N 3.16Å; A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 3.29Å |
| 314 | A | 94.6 | Very high | 88 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L302 V310 A316 V317 L318 V334 L335 | L302-A314 HydrophobicContact CD2-CB 3.89Å; V310-A314 WeakPolarHBondContact O-CB 3.38Å; V310-A314 PolarHBondContact O-N 3.05Å; A314-A316 PolarHBondContact O-N 2.99Å; A314-V317 PolarHBondContact O-N 3.33Å; A314-L318 WeakPolarHBondContact O-CB 3.05Å; A314-L318 PolarHBondContact O-N 3.01Å; A314-V334 HydrophobicContact CB-CB 3.93Å; A314-V334 HydrophobicContact CB-CG1 3.63Å; A314-L335 HydrophobicContact CB-CD1 4.22Å; A314-L335 HydrophobicContact CB-CD2 4.18Å; A314-L335 HydrophobicContact CB-CG 3.78Å |
| 315 | A | 94.4 | Very high | 87.9 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -39.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M311 Q312 A313 R319 L335 V376 N380 | M311-A315 WeakPolarHBondContact O-CB 3.46Å; M311-A315 PolarHBondContact O-N 2.89Å; Q312-A315 PolarHBondContact O-N 3.39Å; A313-A315 VanDerWaalsContact C-N 3.34Å; A313-A315 PolarHBondContact O-N 2.98Å; A315-R319 WeakPolarHBondContact O-CG 3.23Å; A315-R319 PolarHBondContact O-N 3.05Å; A315-R319 PolarHBondContact O-NE 3.23Å; A315-L335 HydrophobicContact CB-CD2 4.17Å; A315-V376 HydrophobicContact CB-CG1 4.21Å; A315-N380 WeakPolarHBondContact CB-ND2 3.29Å |
| 316 | A | 92.8 | Very high | 87.9 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.7 | -45.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L274 L278 Q312 A313 A314 L318 R319 S320 | L274-A316 HydrophobicContact CB-CB 4.3Å; L274-A316 HydrophobicContact CD1-CB 4.19Å; L278-A316 HydrophobicContact CD1-CB 3.69Å; L278-A316 WeakPolarHBondContact CD1-O 3.27Å; Q312-A316 WeakPolarHBondContact O-CB 3.33Å; Q312-A316 PolarHBondContact O-N 3.26Å; A313-A316 PolarHBondContact O-N 2.93Å; A313-A316 VanDerWaalsContact O-N 3.16Å; A314-A316 PolarHBondContact O-N 2.99Å; A316-L318 VanDerWaalsContact C-N 3.35Å; A316-L318 PolarHBondContact O-N 2.91Å; A316-R319 PolarHBondContact O-N 3.4Å; A316-S320 PolarHBondContact O-N 3.09Å |
| 317 | V | 92.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 177.8 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | L278 L298 L302 A313 A314 R319 S320 S323 L327 S331 | L278-V317 HydrophobicContact CD2-CG2 4.38Å; L298-V317 HydrophobicContact CD2-CG2 4.01Å; L302-V317 HydrophobicContact CD1-CG2 4.42Å; L302-V317 HydrophobicContact CD2-CG2 4.41Å; A313-V317 WeakPolarHBondContact O-CG2 3.42Å; A313-V317 PolarHBondContact O-N 3.29Å; A314-V317 PolarHBondContact O-N 3.33Å; V317-R319 VanDerWaalsContact C-N 3.3Å; V317-R319 PolarHBondContact O-N 3.13Å; V317-S320 VanDerWaalsContact O-CB 3.29Å; V317-S320 WeakPolarHBondContact O-CB 3.44Å; V317-S320 PolarHBondContact O-N 2.86Å; V317-S320 VanDerWaalsContact O-N 3.16Å; V317-S323 WeakPolarHBondContact O-CB 3.35Å; V317-S323 PolarHBondContact O-OG 3.38Å; V317-L327 HydrophobicContact CG1-CB 3.95Å; V317-S331 WeakPolarHBondContact CG1-OG 3.42Å |
| 318 | L | 90.8 | Very high | 87.8 | Confident | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.3 | -27.9 | -178.2 | -164.6 | 69.9 | 0 | 0 | 0 | 113.2 | A314 A316 S320 L335 N380 Q383 I384 M387 | A314-L318 WeakPolarHBondContact O-CB 3.05Å; A314-L318 PolarHBondContact O-N 3.01Å; A316-L318 VanDerWaalsContact C-N 3.35Å; A316-L318 PolarHBondContact O-N 2.91Å; L318-S320 VanDerWaalsContact C-N 3.3Å; L318-L335 HydrophobicContact CB-CD1 4.42Å; L318-L335 HydrophobicContact CD2-CD1 3.8Å; L318-N380 HydrophobicContact CD2-CB 4.45Å; L318-Q383 HydrophobicContact CD2-CB 3.65Å; L318-Q383 HydrophobicContact CG-CB 3.75Å; L318-I384 HydrophobicContact CD2-CD1 4.45Å; L318-I384 HydrophobicContact CD2-CG1 3.48Å; L318-I384 VanDerWaalsContact CD2-CG1 3.48Å; L318-M387 HydrophobicContact CD1-CE 4.44Å; L318-M387 HydrophobicContact CD1-CG 4.38Å; L318-M387 HydrophobicContact CD1-SD 3.71Å |
| 319 | R | 89.4 | Confident | 87.8 | Confident | 145 Ų | 145 | 39.4 Ų | 39.4 | 55% | 0.547 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -81 | -9.2 | 174.8 | -70.8 | -177.1 | -62.9 | -149.3 | 4.3 | 113.5 | A315 A316 V317 Q383 | A315-R319 WeakPolarHBondContact O-CG 3.23Å; A315-R319 PolarHBondContact O-N 3.05Å; A315-R319 PolarHBondContact O-NE 3.23Å; A316-R319 PolarHBondContact O-N 3.4Å; V317-R319 VanDerWaalsContact C-N 3.3Å; V317-R319 PolarHBondContact O-N 3.13Å; R319-Q383 HydrophobicContact CG-CG 4.24Å |
| 320 | S | 85.3 | Confident | 87.7 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 15% | 0.154 | 21% | 0.213 | C | C | . | . | trans | -75.9 | 129.2 | 176.9 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | A316 V317 L318 Q322 S323 | A316-S320 PolarHBondContact O-N 3.09Å; V317-S320 VanDerWaalsContact O-CB 3.29Å; V317-S320 WeakPolarHBondContact O-CB 3.44Å; V317-S320 PolarHBondContact O-N 2.86Å; V317-S320 VanDerWaalsContact O-N 3.16Å; L318-S320 VanDerWaalsContact C-N 3.3Å; S320-Q322 PolarHBondContact O-N 3.47Å; S320-S323 PolarHBondContact O-OG 3.07Å | ||
| 321 | H | 67.5 | Low | 87.7 | Confident | 190 Ų | 190 | 40.1 Ų | 40.1 | 88% | 0.88 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -8 | -179.5 | -71.7 | -63.8 | 0 | 0 | 0 | 114.7 | ||
| 322 | Q | 66.9 | Low | 87.7 | Confident | 102 Ų | 102 | 40 Ų | 40 | 48% | 0.477 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | 32 | -174.6 | -61.3 | -176.8 | 12.4 | 0 | 0 | 112.4 | N281 S282 S320 | N281-Q322 PolarHBondContact ND2-O 3.45Å; S282-Q322 VanDerWaalsContact C-OE1 3.3Å; S282-Q322 VanDerWaalsContact CA-OE1 3.26Å; S282-Q322 PolarHBondContact O-NE2 2.91Å; S282-Q322 PolarHBondContact O-OE1 3.34Å; S320-Q322 PolarHBondContact O-N 3.47Å |
| 323 | S | 68.9 | Low | 87.7 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 18% | 0.175 | 21% | 0.209 | C | C | . | . | trans | -75.7 | 142.2 | 174.8 | 41 | 0 | 0 | 0 | 0 | 111 | V317 S320 S328 | V317-S323 WeakPolarHBondContact O-CB 3.35Å; V317-S323 PolarHBondContact O-OG 3.38Å; S320-S323 PolarHBondContact O-OG 3.07Å; S323-S328 PolarHBondContact OG-OG 3.29Å | ||
| 324 | D | 83.8 | Confident | 87.6 | Confident | 63 Ų | 63 | 40 Ų | 40 | 34% | 0.337 | 21% | 0.209 | S | C | . | . | trans | -56.1 | 138.4 | 171.7 | 178.2 | -82 | 0 | 0 | 0 | 110.4 | A326 L327 S328 | D324-A326 VanDerWaalsContact C-N 3.26Å; D324-A326 PolarHBondContact O-N 3.47Å; D324-A326 WeakPolarHBondContact OD1-CA 3.32Å; D324-A326 WeakPolarHBondContact OD1-CB 3.46Å; D324-A326 PolarHBondContact OD1-N 2.91Å; D324-L327 HydrophobicContact CB-CB 4.17Å; D324-L327 HydrophobicContact CB-CD1 3.92Å; D324-L327 HydrophobicContact CB-CG 4.02Å; D324-L327 WeakPolarHBondContact O-CB 3.27Å; D324-L327 PolarHBondContact O-N 3.16Å; D324-L327 VanDerWaalsContact O-N 3.13Å; D324-L327 PolarHBondContact OD1-N 3.03Å; D324-S328 PolarHBondContact O-N 3.4Å; D324-S328 PolarHBondContact O-OG 3.13Å | ||
| 325 | P | 87.1 | Confident | 87.7 | Confident | 82 Ų | 82 | 40 Ų | 40 | 53% | 0.532 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -56.8 | -36.2 | -178.9 | -27 | 35 | 0 | 0 | 0 | 113.8 | S328 A329 | P325-S328 PolarHBondContact O-N 2.91Å; P325-A329 WeakPolarHBondContact O-CB 3.49Å; P325-A329 PolarHBondContact O-N 3.19Å |
| 326 | A | 89.1 | Confident | 87.7 | Confident | 50 Ų | 50 | 39.9 Ų | 39.9 | 41% | 0.413 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.4 | -38.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W299 D324 S328 A329 H330 | W299-A326 HydrophobicContact CZ2-CB 4.35Å; D324-A326 VanDerWaalsContact C-N 3.26Å; D324-A326 PolarHBondContact O-N 3.47Å; D324-A326 WeakPolarHBondContact OD1-CA 3.32Å; D324-A326 WeakPolarHBondContact OD1-CB 3.46Å; D324-A326 PolarHBondContact OD1-N 2.91Å; A326-S328 VanDerWaalsContact C-N 3.32Å; A326-A329 PolarHBondContact O-N 3.34Å; A326-H330 WeakPolarHBondContact O-CB 3.4Å; A326-H330 PolarHBondContact O-N 3.17Å |
| 327 | L | 90.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 172.1 | -73.8 | 177.2 | 0 | 0 | 0 | 111.4 | I295 L298 W299 L302 V317 D324 S331 | I295-L327 HydrophobicContact CG2-CD1 4.32Å; L298-L327 HydrophobicContact CB-CD1 4.05Å; L298-L327 HydrophobicContact CB-CD2 4.16Å; L298-L327 HydrophobicContact CD1-CD1 3.72Å; W299-L327 HydrophobicContact CD2-CD2 3.86Å; W299-L327 HydrophobicContact CG-CD2 3.86Å; W299-L327 HydrophobicContact CZ2-CD2 4.32Å; L302-L327 HydrophobicContact CD1-CD2 3.63Å; V317-L327 HydrophobicContact CG1-CB 3.95Å; D324-L327 HydrophobicContact CB-CB 4.17Å; D324-L327 HydrophobicContact CB-CD1 3.92Å; D324-L327 HydrophobicContact CB-CG 4.02Å; D324-L327 WeakPolarHBondContact O-CB 3.27Å; D324-L327 PolarHBondContact O-N 3.16Å; D324-L327 VanDerWaalsContact O-N 3.13Å; D324-L327 PolarHBondContact OD1-N 3.03Å; L327-S331 VanDerWaalsContact O-CB 3.26Å; L327-S331 WeakPolarHBondContact O-CB 3.44Å; L327-S331 PolarHBondContact O-N 3.31Å; L327-S331 PolarHBondContact O-OG 3.31Å |
| 328 | S | 91 | Very high | 87.8 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.6 | -45.7 | 178.4 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | S323 D324 P325 A326 H330 S331 A332 | S323-S328 PolarHBondContact OG-OG 3.29Å; D324-S328 PolarHBondContact O-N 3.4Å; D324-S328 PolarHBondContact O-OG 3.13Å; P325-S328 PolarHBondContact O-N 2.91Å; A326-S328 VanDerWaalsContact C-N 3.32Å; S328-H330 PolarHBondContact O-N 3.33Å; S328-S331 PolarHBondContact O-N 2.62Å; S328-A332 PolarHBondContact O-N 3.28Å |
| 329 | A | 90.9 | Very high | 87.9 | Confident | 25 Ų | 25 | 39 Ų | 39 | 21% | 0.207 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59 | -47.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P325 A326 S331 A332 R333 | P325-A329 WeakPolarHBondContact O-CB 3.49Å; P325-A329 PolarHBondContact O-N 3.19Å; A326-A329 PolarHBondContact O-N 3.34Å; A329-S331 PolarHBondContact O-N 3.44Å; A329-A332 PolarHBondContact O-N 3.36Å; A329-R333 WeakPolarHBondContact O-CG 3.5Å; A329-R333 PolarHBondContact O-N 2.83Å; A329-R333 VanDerWaalsContact O-N 3.1Å |
| 330 | H | 91.6 | Very high | 88 | Confident | 25 Ų | 25 | 32.4 Ų | 32.4 | 12% | 0.116 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 176.9 | -174.4 | 64.1 | 0 | 0 | 0 | 112.3 | W299 A326 S328 A332 R333 V334 | W299-H330 HydrophobicContact CH2-CB 3.93Å; W299-H330 HydrophobicContact CZ3-CB 4.12Å; W299-H330 AromaticContact CZ3-CD2 3.57Å; W299-H330 AromaticContact CZ3-CG 3.71Å; W299-H330 AromaticContact CZ3-NE2 3.99Å; A326-H330 WeakPolarHBondContact O-CB 3.4Å; A326-H330 PolarHBondContact O-N 3.17Å; S328-H330 PolarHBondContact O-N 3.33Å; H330-A332 VanDerWaalsContact C-N 3.34Å; H330-A332 PolarHBondContact O-N 2.97Å; H330-R333 WeakPolarHBondContact O-CB 3.37Å; H330-R333 PolarHBondContact O-N 3.45Å; H330-V334 WeakPolarHBondContact O-CG2 3.19Å; H330-V334 PolarHBondContact O-N 2.98Å |
| 331 | S | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.9 | -40.6 | 175.8 | -62 | 0 | 0 | 0 | 0 | 112.2 | V317 L327 S328 A329 R333 V334 L335 | V317-S331 WeakPolarHBondContact CG1-OG 3.42Å; L327-S331 VanDerWaalsContact O-CB 3.26Å; L327-S331 WeakPolarHBondContact O-CB 3.44Å; L327-S331 PolarHBondContact O-N 3.31Å; L327-S331 PolarHBondContact O-OG 3.31Å; S328-S331 PolarHBondContact O-N 2.62Å; A329-S331 PolarHBondContact O-N 3.44Å; S331-R333 VanDerWaalsContact C-N 3.35Å; S331-V334 PolarHBondContact O-N 3.07Å; S331-L335 WeakPolarHBondContact O-CB 2.85Å; S331-L335 VanDerWaalsContact O-CG 3.27Å; S331-L335 WeakPolarHBondContact O-CG 3.46Å; S331-L335 PolarHBondContact O-N 3.12Å |
| 332 | A | 93.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S328 A329 H330 L335 L336 I384 M387 P393 | S328-A332 PolarHBondContact O-N 3.28Å; A329-A332 PolarHBondContact O-N 3.36Å; H330-A332 VanDerWaalsContact C-N 3.34Å; H330-A332 PolarHBondContact O-N 2.97Å; A332-L335 PolarHBondContact O-N 3.17Å; A332-L336 WeakPolarHBondContact O-CB 3.45Å; A332-L336 WeakPolarHBondContact O-CG 3.44Å; A332-L336 PolarHBondContact O-N 2.92Å; A332-I384 HydrophobicContact CB-CD1 4.46Å; A332-I384 HydrophobicContact CB-CG1 4.21Å; A332-I384 HydrophobicContact CB-CG2 4.33Å; A332-M387 HydrophobicContact CB-CE 4.17Å; A332-M387 HydrophobicContact CB-SD 3.79Å; A332-P393 HydrophobicContact CB-CG 4Å |
| 333 | R | 92.6 | Very high | 90.5 | Very high | 67 Ų | 67 | 19.6 Ų | 19.6 | 25% | 0.253 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -59.6 | -50.3 | 175.1 | -66.4 | 171.1 | 70.5 | 164.4 | 4.8 | 111.5 | A329 H330 S331 L335 L336 L337 L348 N351 E354 P393 | A329-R333 WeakPolarHBondContact O-CG 3.5Å; A329-R333 PolarHBondContact O-N 2.83Å; A329-R333 VanDerWaalsContact O-N 3.1Å; H330-R333 WeakPolarHBondContact O-CB 3.37Å; H330-R333 PolarHBondContact O-N 3.45Å; S331-R333 VanDerWaalsContact C-N 3.35Å; R333-L335 VanDerWaalsContact C-N 3.32Å; R333-L335 PolarHBondContact O-N 3.17Å; R333-L336 PolarHBondContact O-N 3.3Å; R333-L337 PolarHBondContact O-N 3.14Å; R333-L337 VanDerWaalsContact O-N 3.11Å; R333-L348 HydrophobicContact CB-CD2 3.94Å; R333-L348 HydrophobicContact CG-CD2 3.93Å; R333-L348 WeakPolarHBondContact O-CD1 3.16Å; R333-N351 PolarHBondContact NH2-ND2 3.13Å; R333-E354 VanDerWaalsContact CZ-CD 3.46Å; R333-E354 IonicContact CZ-OE1 3.18Å; R333-E354 IonicContact CZ-OE2 3.28Å; R333-E354 IonicContact NE-OE1 3.24Å; R333-E354 PolarHBondContact NE-OE1 3.24Å; R333-E354 IonicContact NE-OE2 2.69Å; R333-E354 IonicContact NH2-OE1 2.82Å; R333-E354 PolarHBondContact NH2-OE1 3.42Å; R333-E354 IonicContact NH2-OE2 3.25Å; R333-E354 PolarHBondContact NH2-OE2 3.24Å; R333-P393 HydrophobicContact CG-CB 3.71Å |
| 334 | V | 93.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.4 | -45.3 | 176.3 | 166.9 | 0 | 0 | 0 | 0 | 111.9 | V310 A314 H330 S331 L337 L357 | V310-V334 HydrophobicContact CG1-CB 4.46Å; V310-V334 HydrophobicContact CG1-CG1 3.42Å; V310-V334 VanDerWaalsContact CG1-CG1 3.42Å; V310-V334 HydrophobicContact CG1-CG2 4.17Å; A314-V334 HydrophobicContact CB-CB 3.93Å; A314-V334 HydrophobicContact CB-CG1 3.63Å; H330-V334 WeakPolarHBondContact O-CG2 3.19Å; H330-V334 PolarHBondContact O-N 2.98Å; S331-V334 PolarHBondContact O-N 3.07Å; V334-L337 PolarHBondContact O-N 3.42Å; V334-L357 HydrophobicContact CG2-CD2 4.06Å |
| 335 | L | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -71.3 | -31.1 | -177.2 | -73.5 | 168.1 | 0 | 0 | 0 | 113.2 | M311 A314 A315 L318 S331 A332 R333 P338 V376 C377 N380 I384 | M311-L335 HydrophobicContact CE-CD2 4.35Å; A314-L335 HydrophobicContact CB-CD1 4.22Å; A314-L335 HydrophobicContact CB-CD2 4.18Å; A314-L335 HydrophobicContact CB-CG 3.78Å; A315-L335 HydrophobicContact CB-CD2 4.17Å; L318-L335 HydrophobicContact CB-CD1 4.42Å; L318-L335 HydrophobicContact CD2-CD1 3.8Å; S331-L335 WeakPolarHBondContact O-CB 2.85Å; S331-L335 VanDerWaalsContact O-CG 3.27Å; S331-L335 WeakPolarHBondContact O-CG 3.46Å; S331-L335 PolarHBondContact O-N 3.12Å; A332-L335 PolarHBondContact O-N 3.17Å; R333-L335 VanDerWaalsContact C-N 3.32Å; R333-L335 PolarHBondContact O-N 3.17Å; L335-P338 WeakPolarHBondContact O-CD 3.46Å; L335-V376 HydrophobicContact CD2-CG1 3.97Å; L335-C377 WeakPolarHBondContact O-CB 3.32Å; L335-C377 PolarHBondContact O-SG 2.74Å; L335-N380 HydrophobicContact CD1-CB 3.88Å; L335-I384 HydrophobicContact CB-CD1 4.31Å |
| 336 | L | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -82.5 | -18.3 | 177.9 | -69.5 | 176.8 | 0 | 0 | 0 | 113.3 | A332 R333 L339 D340 L347 L348 I384 P393 I399 | A332-L336 WeakPolarHBondContact O-CB 3.45Å; A332-L336 WeakPolarHBondContact O-CG 3.44Å; A332-L336 PolarHBondContact O-N 2.92Å; R333-L336 PolarHBondContact O-N 3.3Å; L336-L339 WeakPolarHBondContact O-CA 3.38Å; L336-L339 WeakPolarHBondContact O-CB 3.49Å; L336-L339 PolarHBondContact O-N 3.05Å; L336-D340 PolarHBondContact O-N 2.94Å; L336-L347 HydrophobicContact CB-CD1 4.4Å; L336-L348 HydrophobicContact CB-CD2 4.42Å; L336-I384 HydrophobicContact CD1-CD1 4.47Å; L336-I384 HydrophobicContact CD2-CD1 3.88Å; L336-I384 HydrophobicContact CG-CD1 3.91Å; L336-P393 HydrophobicContact CD1-CG 3.48Å; L336-P393 VanDerWaalsContact CD1-CG 3.48Å; L336-I399 HydrophobicContact CD1-CD1 4.14Å; L336-I399 HydrophobicContact CD1-CG1 4.44Å; L336-I399 HydrophobicContact CD2-CD1 4.45Å; L336-I399 HydrophobicContact CD2-CG2 4.5Å |
| 337 | L | 93.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.3 | -40.4 | -176.5 | -175.5 | 53.1 | 0 | 0 | 0 | 114 | R333 V334 L339 D340 I341 L348 L357 R358 I361 | R333-L337 PolarHBondContact O-N 3.14Å; R333-L337 VanDerWaalsContact O-N 3.11Å; V334-L337 PolarHBondContact O-N 3.42Å; L337-L339 VanDerWaalsContact C-N 3.29Å; L337-L339 PolarHBondContact O-N 2.92Å; L337-D340 PolarHBondContact O-N 3.26Å; L337-I341 HydrophobicContact CD1-CD1 3.79Å; L337-I341 HydrophobicContact CD1-CG1 4.01Å; L337-I341 HydrophobicContact CG-CD1 3.85Å; L337-I341 WeakPolarHBondContact O-CD1 3.29Å; L337-I341 VanDerWaalsContact O-CG1 3.27Å; L337-I341 WeakPolarHBondContact O-CG1 3.45Å; L337-I341 PolarHBondContact O-N 3.01Å; L337-L348 HydrophobicContact CB-CD1 3.81Å; L337-L348 HydrophobicContact CD1-CD1 3.83Å; L337-L348 HydrophobicContact CG-CD1 4.36Å; L337-L357 HydrophobicContact CD2-CD2 4.26Å; L337-L357 HydrophobicContact CD2-CG 4.1Å; L337-R358 HydrophobicContact CD1-CB 4.28Å; L337-R358 HydrophobicContact CD1-CG 4.27Å; L337-R358 HydrophobicContact CD2-CB 4.39Å; L337-I361 HydrophobicContact CB-CD1 4.19Å; L337-I361 HydrophobicContact CD2-CD1 3.63Å; L337-I361 HydrophobicContact CG-CD1 3.94Å |
| 338 | P | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.4 | -38.5 | 171.6 | -26.7 | 36.3 | 0 | 0 | 0 | 113.9 | M311 L335 V342 I361 L365 | M311-P338 HydrophobicContact CE-CG 3.66Å; M311-P338 HydrophobicContact SD-CG 3.79Å; L335-P338 WeakPolarHBondContact O-CD 3.46Å; P338-V342 WeakPolarHBondContact O-CB 3.36Å; P338-V342 WeakPolarHBondContact O-CG2 3.33Å; P338-V342 PolarHBondContact O-N 2.62Å; P338-V342 VanDerWaalsContact O-N 3.07Å; P338-I361 HydrophobicContact CG-CG2 4.19Å; P338-L365 HydrophobicContact CB-CD1 4.46Å; P338-L365 HydrophobicContact CB-CD2 4.31Å |
| 339 | L | 93.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73 | -41.1 | 180 | -173.1 | 65.2 | 0 | 0 | 0 | 110.9 | L336 L337 V342 T343 L347 A402 I403 L406 | L336-L339 WeakPolarHBondContact O-CA 3.38Å; L336-L339 WeakPolarHBondContact O-CB 3.49Å; L336-L339 PolarHBondContact O-N 3.05Å; L337-L339 VanDerWaalsContact C-N 3.29Å; L337-L339 PolarHBondContact O-N 2.92Å; L339-V342 PolarHBondContact O-N 3.45Å; L339-T343 HydrophobicContact CD1-CG2 3.68Å; L339-T343 HydrophobicContact CG-CG2 4.27Å; L339-T343 VanDerWaalsContact O-CB 3.32Å; L339-T343 WeakPolarHBondContact O-CB 3.47Å; L339-T343 VanDerWaalsContact O-CG2 3.28Å; L339-T343 WeakPolarHBondContact O-CG2 3.28Å; L339-T343 PolarHBondContact O-N 3.35Å; L339-T343 PolarHBondContact O-OG1 2.57Å; L339-L347 HydrophobicContact CB-CD1 4.22Å; L339-L347 HydrophobicContact CD2-CD1 4.1Å; L339-L347 HydrophobicContact CG-CD1 4.11Å; L339-A402 HydrophobicContact CD1-CB 4.31Å; L339-A402 HydrophobicContact CD2-CB 3.8Å; L339-A402 HydrophobicContact CG-CB 3.79Å; L339-I403 HydrophobicContact CD2-CG1 4.22Å; L339-L406 HydrophobicContact CD1-CB 4.09Å; L339-L406 HydrophobicContact CD1-CD2 3.85Å; L339-L406 HydrophobicContact CD1-CG 4.47Å |
| 340 | D | 91.9 | Very high | 89.6 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.4 | -52.3 | 172.3 | -178.7 | 93 | 0 | 0 | 0 | 111.1 | L336 L337 G344 L347 L348 R358 | L336-D340 PolarHBondContact O-N 2.94Å; L337-D340 PolarHBondContact O-N 3.26Å; D340-G344 WeakPolarHBondContact O-CA 3.32Å; D340-G344 PolarHBondContact O-N 3.25Å; D340-L347 HydrophobicContact CB-CB 4.13Å; D340-L347 HydrophobicContact CB-CD1 4.24Å; D340-L347 HydrophobicContact CB-CG 4.37Å; D340-L347 PolarHBondContact OD1-N 3.27Å; D340-L348 HydrophobicContact CB-CD1 4.35Å; D340-L348 PolarHBondContact OD1-N 3.3Å; D340-R358 IonicContact OD2-CZ 3.96Å; D340-R358 VanDerWaalsContact OD2-CZ 3.25Å; D340-R358 IonicContact OD2-NH1 3.73Å; D340-R358 PolarHBondContact OD2-NH1 3.15Å; D340-R358 IonicContact OD2-NH2 2.71Å; D340-R358 PolarHBondContact OD2-NH2 3.3Å |
| 341 | I | 91.1 | Very high | 88.1 | Confident | 23 Ų | 23 | 32.9 Ų | 32.9 | 12% | 0.118 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.8 | -46.1 | -179.4 | -66.9 | 161.1 | 0 | 0 | 0 | 112.1 | L337 R358 I361 L365 | L337-I341 HydrophobicContact CD1-CD1 3.79Å; L337-I341 HydrophobicContact CD1-CG1 4.01Å; L337-I341 HydrophobicContact CG-CD1 3.85Å; L337-I341 WeakPolarHBondContact O-CD1 3.29Å; L337-I341 VanDerWaalsContact O-CG1 3.27Å; L337-I341 WeakPolarHBondContact O-CG1 3.45Å; L337-I341 PolarHBondContact O-N 3.01Å; I341-R358 HydrophobicContact CD1-CG 4.2Å; I341-R358 HydrophobicContact CG1-CG 4.35Å; I341-I361 HydrophobicContact CD1-CB 4.1Å; I341-I361 HydrophobicContact CD1-CG2 3.6Å; I341-L365 HydrophobicContact CB-CD1 4.07Å; I341-L365 HydrophobicContact CD1-CD1 4.23Å; I341-L365 HydrophobicContact CG2-CD1 3.84Å |
| 342 | V | 90.9 | Very high | 86.2 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.6 | -36.8 | -174.4 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | P338 L339 L365 I374 L406 L409 V424 I428 | P338-V342 WeakPolarHBondContact O-CB 3.36Å; P338-V342 WeakPolarHBondContact O-CG2 3.33Å; P338-V342 PolarHBondContact O-N 2.62Å; P338-V342 VanDerWaalsContact O-N 3.07Å; L339-V342 PolarHBondContact O-N 3.45Å; V342-L365 HydrophobicContact CG2-CD1 4.03Å; V342-I374 HydrophobicContact CG2-CD1 4.25Å; V342-L406 HydrophobicContact CG1-CD1 3.88Å; V342-L409 HydrophobicContact CG1-CD1 4.02Å; V342-V424 HydrophobicContact CG1-CG1 4.42Å; V342-V424 HydrophobicContact CG2-CG1 3.83Å; V342-I428 HydrophobicContact CG1-CD1 4.14Å |
| 343 | T | 90.6 | Very high | 84.3 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -94.3 | -19.9 | -174.2 | 66.5 | 0 | 0 | 0 | 0 | 113.1 | L339 V345 A402 L405 L406 | L339-T343 HydrophobicContact CD1-CG2 3.68Å; L339-T343 HydrophobicContact CG-CG2 4.27Å; L339-T343 VanDerWaalsContact O-CB 3.32Å; L339-T343 WeakPolarHBondContact O-CB 3.47Å; L339-T343 VanDerWaalsContact O-CG2 3.28Å; L339-T343 WeakPolarHBondContact O-CG2 3.28Å; L339-T343 PolarHBondContact O-N 3.35Å; L339-T343 PolarHBondContact O-OG1 2.57Å; T343-V345 PolarHBondContact O-N 3.43Å; T343-V345 PolarHBondContact OG1-N 2.88Å; T343-A402 HydrophobicContact CG2-CB 4.22Å; T343-A402 WeakPolarHBondContact CG2-O 3.44Å; T343-L405 HydrophobicContact CG2-CB 4.3Å; T343-L406 HydrophobicContact CG2-CB 4.06Å |
| 344 | G | 86.9 | Confident | 83.1 | Confident | 57 Ų | 57 | 41.8 Ų | 41.8 | 59% | 0.588 | 25% | 0.253 | S | S | * | . | trans | 68.8 | 8.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D340 S346 | D340-G344 WeakPolarHBondContact O-CA 3.32Å; D340-G344 PolarHBondContact O-N 3.25Å; G344-S346 PolarHBondContact O-N 3.44Å | ||
| 345 | V | 88 | Confident | 82.5 | Confident | 20 Ų | 20 | 45.9 Ų | 45.9 | 12% | 0.121 | 27% | 0.272 | C | S | . | . | trans | -74.8 | 122 | 171.6 | -179.7 | 0 | 0 | 0 | 0 | 107.1 | T343 L347 L398 T401 A402 L405 | T343-V345 PolarHBondContact O-N 3.43Å; T343-V345 PolarHBondContact OG1-N 2.88Å; V345-L347 HydrophobicContact CB-CD2 4.32Å; V345-L347 HydrophobicContact CB-CG 4.31Å; V345-L347 HydrophobicContact CG1-CD2 3.67Å; V345-L347 HydrophobicContact CG1-CG 4.13Å; V345-L347 PolarHBondContact O-N 3.02Å; V345-L398 HydrophobicContact CG1-CB 4.33Å; V345-T401 HydrophobicContact CG2-CG2 4.36Å; V345-A402 HydrophobicContact CB-CB 4.08Å; V345-A402 HydrophobicContact CG1-CB 4.43Å; V345-A402 HydrophobicContact CG2-CB 3.98Å; V345-L405 HydrophobicContact CG2-CD1 3.4Å | ||
| 346 | S | 87.5 | Confident | 82.1 | Confident | 98 Ų | 98 | 50.7 Ų | 50.7 | 69% | 0.685 | 29% | 0.294 | S | S | * | . | trans | -65.8 | 81.9 | 174.5 | -51.8 | 0 | 0 | 0 | 0 | 110.7 | G344 | G344-S346 PolarHBondContact O-N 3.44Š| ||
| 347 | L | 88.6 | Confident | 81.9 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | trans | -84.3 | -20 | 176.7 | -62.6 | -179.9 | 0 | 0 | 0 | 111.7 | L336 L339 D340 V345 C394 L398 A402 | L336-L347 HydrophobicContact CB-CD1 4.4Å; L339-L347 HydrophobicContact CB-CD1 4.22Å; L339-L347 HydrophobicContact CD2-CD1 4.1Å; L339-L347 HydrophobicContact CG-CD1 4.11Å; D340-L347 HydrophobicContact CB-CB 4.13Å; D340-L347 HydrophobicContact CB-CD1 4.24Å; D340-L347 HydrophobicContact CB-CG 4.37Å; D340-L347 PolarHBondContact OD1-N 3.27Å; V345-L347 HydrophobicContact CB-CD2 4.32Å; V345-L347 HydrophobicContact CB-CG 4.31Å; V345-L347 HydrophobicContact CG1-CD2 3.67Å; V345-L347 HydrophobicContact CG1-CG 4.13Å; V345-L347 PolarHBondContact O-N 3.02Å; L347-C394 WeakPolarHBondContact O-CB 3.44Å; L347-C394 PolarHBondContact O-SG 2.98Å; L347-C394 VanDerWaalsContact O-SG 3.4Å; L347-L398 HydrophobicContact CD2-CB 3.68Å; L347-A402 HydrophobicContact CD1-CB 4.02Å; L347-A402 HydrophobicContact CD2-CB 4.22Å; L347-A402 HydrophobicContact CG-CB 4.47Å | ||
| 348 | L | 87.3 | Confident | 81.7 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -132.5 | 142.8 | -171.9 | -55.2 | 173.6 | 0 | 0 | 0 | 110.6 | R333 L336 L337 D340 P393 | R333-L348 HydrophobicContact CB-CD2 3.94Å; R333-L348 HydrophobicContact CG-CD2 3.93Å; R333-L348 WeakPolarHBondContact O-CD1 3.16Å; L336-L348 HydrophobicContact CB-CD2 4.42Å; L337-L348 HydrophobicContact CB-CD1 3.81Å; L337-L348 HydrophobicContact CD1-CD1 3.83Å; L337-L348 HydrophobicContact CG-CD1 4.36Å; D340-L348 HydrophobicContact CB-CD1 4.35Å; D340-L348 PolarHBondContact OD1-N 3.3Å; L348-P393 HydrophobicContact CD2-CB 3.98Å |
| 349 | D | 78.3 | Confident | 81.6 | Confident | 121 Ų | 121 | 58.5 Ų | 58.5 | 65% | 0.647 | 33% | 0.331 | S | S | * | . | trans | -72.3 | 138.7 | 174.7 | -66.2 | -28.2 | 0 | 0 | 0 | 111.2 | N351 | D349-N351 VanDerWaalsContact C-N 3.28Å; D349-N351 PolarHBondContact O-N 2.98Å | ||
| 350 | E | 64.9 | Low | 81.6 | Confident | 180 Ų | 180 | 61 Ų | 61 | 84% | 0.841 | 34% | 0.344 | S | S | * | . | trans | -71.2 | 74 | 178.6 | -63.7 | -178.9 | 178.2 | 0 | 0 | 111.9 | ||||
| 351 | N | 59.5 | Low | 81.6 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | trans | -92.5 | 142 | 172.5 | -70.8 | -66.3 | 0 | 0 | 0 | 111.4 | R333 D349 T353 E354 | R333-N351 PolarHBondContact NH2-ND2 3.13Å; D349-N351 VanDerWaalsContact C-N 3.28Å; D349-N351 PolarHBondContact O-N 2.98Å; N351-T353 PolarHBondContact O-N 3.34Å; N351-E354 PolarHBondContact O-N 3.43Å | ||
| 352 | S | 55 | Low | 81.6 | Confident | 112 Ų | 112 | 61.1 Ų | 61.1 | 78% | 0.783 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.4 | -27.8 | -168.5 | 57.7 | 0 | 0 | 0 | 0 | 116.3 | E354 | S352-E354 VanDerWaalsContact C-N 3.35Å |
| 353 | T | 54.3 | Low | 81.6 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 76% | 0.755 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -76.7 | -21.1 | 175.4 | 42.6 | 0 | 0 | 0 | 0 | 113.3 | N351 E355 | N351-T353 PolarHBondContact O-N 3.34Å; T353-E355 VanDerWaalsContact C-N 3.33Å |
| 354 | E | 66.3 | Low | 81.7 | Confident | 19 Ų | 19 | 66.6 Ų | 66.6 | 9% | 0.089 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -82.4 | -16 | 175.1 | -62.8 | -166.8 | 144.8 | 0 | 0 | 112.4 | R333 N351 S352 L357 R358 | R333-E354 VanDerWaalsContact CZ-CD 3.46Å; R333-E354 IonicContact CZ-OE1 3.18Å; R333-E354 IonicContact CZ-OE2 3.28Å; R333-E354 IonicContact NE-OE1 3.24Å; R333-E354 PolarHBondContact NE-OE1 3.24Å; R333-E354 IonicContact NE-OE2 2.69Å; R333-E354 IonicContact NH2-OE1 2.82Å; R333-E354 PolarHBondContact NH2-OE1 3.42Å; R333-E354 IonicContact NH2-OE2 3.25Å; R333-E354 PolarHBondContact NH2-OE2 3.24Å; N351-E354 PolarHBondContact O-N 3.43Å; S352-E354 VanDerWaalsContact C-N 3.35Å; E354-L357 PolarHBondContact O-N 2.94Å; E354-R358 VanDerWaalsContact O-CB 3.23Å; E354-R358 WeakPolarHBondContact O-CB 3.32Å; E354-R358 PolarHBondContact O-N 3.44Å |
| 355 | E | 81.4 | Confident | 81.9 | Confident | 87 Ų | 87 | 64 Ų | 64 | 41% | 0.407 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | -176.8 | -169.2 | 55.2 | -148.7 | 0 | 0 | 112 | T353 L357 R358 I359 | T353-E355 VanDerWaalsContact C-N 3.33Å; E355-L357 PolarHBondContact O-N 3.2Å; E355-R358 WeakPolarHBondContact O-CB 3.29Å; E355-R358 PolarHBondContact O-N 2.74Å; E355-I359 HydrophobicContact CG-CD1 4.43Å; E355-I359 VanDerWaalsContact O-CG1 3.29Å; E355-I359 WeakPolarHBondContact O-CG1 3.48Å; E355-I359 PolarHBondContact O-N 3.35Å |
| 356 | E | 87.1 | Confident | 82 | Confident | 102 Ų | 102 | 66.4 Ų | 66.4 | 48% | 0.477 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 176.7 | -170.8 | 177.2 | -169 | 0 | 0 | 111.4 | K305 I359 L360 | K305-E356 WeakPolarHBondContact CE-OE1 3.37Å; K305-E356 WeakPolarHBondContact CE-OE2 3.18Å; K305-E356 IonicContact NZ-OE1 2.73Å; K305-E356 PolarHBondContact NZ-OE1 3.35Å; K305-E356 IonicContact NZ-OE2 3.43Å; K305-E356 PolarHBondContact NZ-OE2 2.67Å; E356-I359 PolarHBondContact O-N 2.92Å; E356-L360 WeakPolarHBondContact O-CG 3.35Å; E356-L360 PolarHBondContact O-N 3.12Å; E356-L360 VanDerWaalsContact O-N 3.08Å |
| 357 | L | 88.9 | Confident | 82.2 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 176.5 | -177.9 | 61.9 | 0 | 0 | 0 | 111.6 | V310 V334 L337 E354 E355 I359 L360 I361 | V310-L357 HydrophobicContact CG1-CD1 4.46Å; V310-L357 HydrophobicContact CG1-CD2 4.34Å; V334-L357 HydrophobicContact CG2-CD2 4.06Å; L337-L357 HydrophobicContact CD2-CD2 4.26Å; L337-L357 HydrophobicContact CD2-CG 4.1Å; E354-L357 PolarHBondContact O-N 2.94Å; E355-L357 PolarHBondContact O-N 3.2Å; L357-I359 VanDerWaalsContact C-N 3.33Å; L357-I359 PolarHBondContact O-N 3.42Å; L357-L360 PolarHBondContact O-N 3.3Å; L357-I361 HydrophobicContact CD1-CD1 4.16Å; L357-I361 HydrophobicContact CD1-CG1 4.13Å; L357-I361 HydrophobicContact CG-CD1 4.04Å; L357-I361 HydrophobicContact CG-CG1 4.33Å; L357-I361 WeakPolarHBondContact O-CB 3.44Å; L357-I361 WeakPolarHBondContact O-CG1 3.47Å; L357-I361 PolarHBondContact O-N 3.41Å |
| 358 | R | 90.7 | Very high | 82.2 | Confident | 50 Ų | 50 | 75.8 Ų | 75.8 | 19% | 0.189 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.2 | -45 | 174.5 | 177.5 | -176.1 | -75.9 | -81.7 | 1.1 | 110.8 | L337 D340 I341 E354 E355 I361 T362 | L337-R358 HydrophobicContact CD1-CB 4.28Å; L337-R358 HydrophobicContact CD1-CG 4.27Å; L337-R358 HydrophobicContact CD2-CB 4.39Å; D340-R358 IonicContact OD2-CZ 3.96Å; D340-R358 VanDerWaalsContact OD2-CZ 3.25Å; D340-R358 IonicContact OD2-NH1 3.73Å; D340-R358 PolarHBondContact OD2-NH1 3.15Å; D340-R358 IonicContact OD2-NH2 2.71Å; D340-R358 PolarHBondContact OD2-NH2 3.3Å; I341-R358 HydrophobicContact CD1-CG 4.2Å; I341-R358 HydrophobicContact CG1-CG 4.35Å; E354-R358 VanDerWaalsContact O-CB 3.23Å; E354-R358 WeakPolarHBondContact O-CB 3.32Å; E354-R358 PolarHBondContact O-N 3.44Å; E355-R358 WeakPolarHBondContact O-CB 3.29Å; E355-R358 PolarHBondContact O-N 2.74Å; R358-I361 PolarHBondContact O-N 3.35Å; R358-T362 VanDerWaalsContact O-CB 3.27Å; R358-T362 WeakPolarHBondContact O-CB 3.45Å; R358-T362 PolarHBondContact O-N 3.18Å; R358-T362 PolarHBondContact O-OG1 2.99Å |
| 359 | I | 90.8 | Very high | 82.2 | Confident | 92 Ų | 92 | 77 Ų | 77 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 175.3 | -67.2 | 163.9 | 0 | 0 | 0 | 110.4 | E355 E356 L357 I361 T362 E363 | E355-I359 HydrophobicContact CG-CD1 4.43Å; E355-I359 VanDerWaalsContact O-CG1 3.29Å; E355-I359 WeakPolarHBondContact O-CG1 3.48Å; E355-I359 PolarHBondContact O-N 3.35Å; E356-I359 PolarHBondContact O-N 2.92Å; L357-I359 VanDerWaalsContact C-N 3.33Å; L357-I359 PolarHBondContact O-N 3.42Å; I359-I361 PolarHBondContact O-N 3.03Å; I359-T362 PolarHBondContact O-N 3.17Å; I359-E363 PolarHBondContact O-N 3.46Å |
| 360 | L | 92.8 | Very high | 82.9 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 28% | 0.283 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | -179.5 | -68.9 | 173.2 | 0 | 0 | 0 | 112.7 | K305 P307 E356 L357 E363 Q364 | K305-L360 HydrophobicContact CB-CD1 3.96Å; K305-L360 HydrophobicContact CG-CD1 4.47Å; P307-L360 HydrophobicContact CG-CB 3.78Å; E356-L360 WeakPolarHBondContact O-CG 3.35Å; E356-L360 PolarHBondContact O-N 3.12Å; E356-L360 VanDerWaalsContact O-N 3.08Å; L357-L360 PolarHBondContact O-N 3.3Å; L360-E363 PolarHBondContact O-N 3.37Å; L360-Q364 WeakPolarHBondContact O-CG 3.3Å; L360-Q364 PolarHBondContact O-N 2.98Å; L360-Q364 VanDerWaalsContact O-N 3.09Å |
| 361 | I | 92.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 176.3 | -71.7 | -175.1 | 0 | 0 | 0 | 110.2 | P307 L337 P338 I341 L357 R358 I359 E363 Q364 L365 M373 | P307-I361 HydrophobicContact CB-CG1 3.98Å; P307-I361 HydrophobicContact CG-CG1 4.24Å; L337-I361 HydrophobicContact CB-CD1 4.19Å; L337-I361 HydrophobicContact CD2-CD1 3.63Å; L337-I361 HydrophobicContact CG-CD1 3.94Å; P338-I361 HydrophobicContact CG-CG2 4.19Å; I341-I361 HydrophobicContact CD1-CB 4.1Å; I341-I361 HydrophobicContact CD1-CG2 3.6Å; L357-I361 HydrophobicContact CD1-CD1 4.16Å; L357-I361 HydrophobicContact CD1-CG1 4.13Å; L357-I361 HydrophobicContact CG-CD1 4.04Å; L357-I361 HydrophobicContact CG-CG1 4.33Å; L357-I361 WeakPolarHBondContact O-CB 3.44Å; L357-I361 WeakPolarHBondContact O-CG1 3.47Å; L357-I361 PolarHBondContact O-N 3.41Å; R358-I361 PolarHBondContact O-N 3.35Å; I359-I361 PolarHBondContact O-N 3.03Å; I361-E363 VanDerWaalsContact C-N 3.32Å; I361-E363 PolarHBondContact O-N 3.47Å; I361-Q364 PolarHBondContact O-N 3.03Å; I361-Q364 VanDerWaalsContact O-N 3.11Å; I361-L365 HydrophobicContact CG2-CD1 3.77Å; I361-L365 HydrophobicContact CG2-CG 4.06Å; I361-L365 VanDerWaalsContact O-CG 3.27Å; I361-L365 WeakPolarHBondContact O-CG 3.37Å; I361-L365 PolarHBondContact O-N 3.45Å; I361-M373 HydrophobicContact CB-CE 4.41Å; I361-M373 HydrophobicContact CG1-CE 4.17Å; I361-M373 HydrophobicContact CG2-CE 3.87Å |
| 362 | T | 91.8 | Very high | 85.9 | Confident | 35 Ų | 35 | 62.9 Ų | 62.9 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.8 | -47.9 | 177.1 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | R358 I359 Q364 L365 K366 | R358-T362 VanDerWaalsContact O-CB 3.27Å; R358-T362 WeakPolarHBondContact O-CB 3.45Å; R358-T362 PolarHBondContact O-N 3.18Å; R358-T362 PolarHBondContact O-OG1 2.99Å; I359-T362 PolarHBondContact O-N 3.17Å; T362-Q364 VanDerWaalsContact C-N 3.34Å; T362-Q364 PolarHBondContact O-N 3.21Å; T362-L365 PolarHBondContact O-N 3.31Å; T362-K366 WeakPolarHBondContact O-CG 3.23Å; T362-K366 PolarHBondContact O-N 3.49Å |
| 363 | E | 91.8 | Very high | 87.8 | Confident | 88 Ų | 88 | 57.8 Ų | 57.8 | 41% | 0.411 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 177.2 | -72.8 | -57.1 | 126.2 | 0 | 0 | 113.4 | I359 L360 I361 K366 | I359-E363 PolarHBondContact O-N 3.46Å; L360-E363 PolarHBondContact O-N 3.37Å; I361-E363 VanDerWaalsContact C-N 3.32Å; I361-E363 PolarHBondContact O-N 3.47Å; E363-K366 IonicContact OE1-NZ 3.78Å; E363-K366 PolarHBondContact OE1-NZ 2.86Å; E363-K366 IonicContact OE2-NZ 2.84Å |
| 364 | Q | 91.8 | Very high | 89.8 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.4 | -29.2 | 175.2 | -67.4 | -61.3 | -20.3 | 0 | 0 | 113.3 | P307 L360 I361 T362 K366 R367 S369 M373 | P307-Q364 HydrophobicContact CB-CB 4.29Å; P307-Q364 HydrophobicContact CB-CG 3.82Å; P307-Q364 HydrophobicContact CG-CB 4.45Å; P307-Q364 HydrophobicContact CG-CG 3.62Å; L360-Q364 WeakPolarHBondContact O-CG 3.3Å; L360-Q364 PolarHBondContact O-N 2.98Å; L360-Q364 VanDerWaalsContact O-N 3.09Å; I361-Q364 PolarHBondContact O-N 3.03Å; I361-Q364 VanDerWaalsContact O-N 3.11Å; T362-Q364 VanDerWaalsContact C-N 3.34Å; T362-Q364 PolarHBondContact O-N 3.21Å; Q364-K366 VanDerWaalsContact C-N 3.26Å; Q364-K366 PolarHBondContact O-N 3.3Å; Q364-R367 WeakPolarHBondContact O-CB 3.45Å; Q364-R367 PolarHBondContact O-N 3.4Å; Q364-S369 PolarHBondContact O-OG 3.3Å; Q364-M373 HydrophobicContact CB-CE 4.41Å; Q364-M373 HydrophobicContact CB-SD 3.91Å |
| 365 | L | 91.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.4 | -27.3 | 176.7 | -72.8 | 171.9 | 0 | 0 | 0 | 112 | P338 I341 V342 I361 T362 R367 C370 M373 I374 V424 | P338-L365 HydrophobicContact CB-CD1 4.46Å; P338-L365 HydrophobicContact CB-CD2 4.31Å; I341-L365 HydrophobicContact CB-CD1 4.07Å; I341-L365 HydrophobicContact CD1-CD1 4.23Å; I341-L365 HydrophobicContact CG2-CD1 3.84Å; V342-L365 HydrophobicContact CG2-CD1 4.03Å; I361-L365 HydrophobicContact CG2-CD1 3.77Å; I361-L365 HydrophobicContact CG2-CG 4.06Å; I361-L365 VanDerWaalsContact O-CG 3.27Å; I361-L365 WeakPolarHBondContact O-CG 3.37Å; I361-L365 PolarHBondContact O-N 3.45Å; T362-L365 PolarHBondContact O-N 3.31Å; L365-R367 PolarHBondContact O-N 3.23Å; L365-C370 HydrophobicContact CB-CB 4.35Å; L365-C370 HydrophobicContact CD2-CB 3.72Å; L365-C370 WeakPolarHBondContact O-CB 3.33Å; L365-M373 HydrophobicContact CD2-CB 4.4Å; L365-M373 HydrophobicContact CD2-SD 4.49Å; L365-I374 HydrophobicContact CD2-CG1 4.37Å; L365-V424 HydrophobicContact CB-CG2 3.84Å; L365-V424 WeakPolarHBondContact O-CG2 3.28Å |
| 366 | K | 90.5 | Very high | 91.9 | Very high | 72 Ų | 72 | 49.6 Ų | 49.6 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -4 | 173.1 | -62.4 | 175.6 | 172.9 | 174.1 | 0 | 114 | T362 E363 Q364 E423 F427 | T362-K366 WeakPolarHBondContact O-CG 3.23Å; T362-K366 PolarHBondContact O-N 3.49Å; E363-K366 IonicContact OE1-NZ 3.78Å; E363-K366 PolarHBondContact OE1-NZ 2.86Å; E363-K366 IonicContact OE2-NZ 2.84Å; Q364-K366 VanDerWaalsContact C-N 3.26Å; Q364-K366 PolarHBondContact O-N 3.3Å; K366-E423 WeakPolarHBondContact CB-OE2 3.44Å; K366-E423 WeakPolarHBondContact CD-OE2 3.47Å; K366-E423 WeakPolarHBondContact CG-OE2 3.41Å; K366-F427 WeakPolarHBondContact O-CE2 3.36Å |
| 367 | R | 90.9 | Very high | 92.3 | Very high | 141 Ų | 141 | 44.8 Ų | 44.8 | 53% | 0.532 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -111.3 | 165.9 | 179.3 | -58.1 | 175.5 | -178.6 | 174.2 | -4 | 110.8 | Q364 L365 S369 C370 | Q364-R367 WeakPolarHBondContact O-CB 3.45Å; Q364-R367 PolarHBondContact O-N 3.4Å; L365-R367 PolarHBondContact O-N 3.23Å; R367-S369 WeakPolarHBondContact CB-OG 3.36Å; R367-S369 PolarHBondContact O-N 3.24Å; R367-C370 WeakPolarHBondContact O-CB 3.39Å; R367-C370 PolarHBondContact O-N 3.33Å; R367-C370 PolarHBondContact O-SG 3.42Å |
| 368 | K | 88.3 | Confident | 92.7 | Very high | 157 Ų | 157 | 43.7 Ų | 43.7 | 68% | 0.683 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.4 | 178.1 | -167.2 | 176.2 | -179.3 | 179.9 | 0 | 113.7 | C370 I371 F427 | K368-C370 PolarHBondContact O-N 3.29Å; K368-I371 HydrophobicContact CG-CD1 4.29Å; K368-I371 PolarHBondContact O-N 3.42Å; K368-F427 HydrophobicContact CB-CD1 4.24Å; K368-F427 HydrophobicContact CB-CE1 3.91Å; K368-F427 HydrophobicContact CB-CZ 4.41Å; K368-F427 HydrophobicContact CG-CD1 4.31Å; K368-F427 HydrophobicContact CG-CE1 4.35Å |
| 369 | S | 87.3 | Confident | 92.9 | Very high | 35 Ų | 35 | 44.5 Ų | 44.5 | 25% | 0.245 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -15.5 | 172.8 | 42.8 | 0 | 0 | 0 | 0 | 114.1 | Q364 R367 I371 S372 M373 | Q364-S369 PolarHBondContact O-OG 3.3Å; R367-S369 WeakPolarHBondContact CB-OG 3.36Å; R367-S369 PolarHBondContact O-N 3.24Å; S369-I371 PolarHBondContact O-N 3.15Å; S369-S372 PolarHBondContact O-N 3.01Å; S369-S372 PolarHBondContact O-OG 3.16Å; S369-M373 PolarHBondContact O-N 2.93Å; S369-M373 VanDerWaalsContact O-N 3.16Å |
| 370 | C | 92.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.3 | -37.1 | 174.6 | 62.5 | 0 | 0 | 0 | 0 | 113.2 | L365 R367 K368 S372 M373 I374 V424 F427 | L365-C370 HydrophobicContact CB-CB 4.35Å; L365-C370 HydrophobicContact CD2-CB 3.72Å; L365-C370 WeakPolarHBondContact O-CB 3.33Å; R367-C370 WeakPolarHBondContact O-CB 3.39Å; R367-C370 PolarHBondContact O-N 3.33Å; R367-C370 PolarHBondContact O-SG 3.42Å; K368-C370 PolarHBondContact O-N 3.29Å; C370-S372 VanDerWaalsContact C-N 3.34Å; C370-S372 PolarHBondContact O-N 2.98Å; C370-M373 PolarHBondContact O-N 2.99Å; C370-I374 HydrophobicContact CB-CD1 4.45Å; C370-I374 WeakPolarHBondContact O-CB 3.45Å; C370-I374 VanDerWaalsContact O-CG1 3.28Å; C370-I374 WeakPolarHBondContact O-CG1 3.46Å; C370-I374 PolarHBondContact O-N 3.44Å; C370-V424 HydrophobicContact CB-CG1 4.26Å; C370-F427 VanDerWaalsContact SG-CB 3.52Å |
| 371 | I | 94.3 | Very high | 93.2 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.4 | -49.7 | 179.1 | -65.6 | 162.3 | 0 | 0 | 0 | 109.8 | K368 S369 C375 N431 K433 V434 | K368-I371 HydrophobicContact CG-CD1 4.29Å; K368-I371 PolarHBondContact O-N 3.42Å; S369-I371 PolarHBondContact O-N 3.15Å; I371-C375 WeakPolarHBondContact O-CB 3.32Å; I371-C375 PolarHBondContact O-N 2.98Å; I371-C375 PolarHBondContact O-SG 3.46Å; I371-N431 WeakPolarHBondContact CD1-ND2 3.47Å; I371-K433 HydrophobicContact CG2-CD 4.44Å; I371-V434 HydrophobicContact CB-CG2 4.46Å; I371-V434 HydrophobicContact CG1-CG2 4.48Å; I371-V434 HydrophobicContact CG2-CG2 3.97Å |
| 372 | S | 93.9 | Very high | 93.1 | Very high | 57 Ų | 57 | 39.6 Ų | 39.6 | 40% | 0.399 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 178.4 | 40.7 | 0 | 0 | 0 | 0 | 112.5 | S369 C370 C375 V376 | S369-S372 PolarHBondContact O-N 3.01Å; S369-S372 PolarHBondContact O-OG 3.16Å; C370-S372 VanDerWaalsContact C-N 3.34Å; C370-S372 PolarHBondContact O-N 2.98Å; S372-C375 PolarHBondContact O-N 3.26Å; S372-V376 VanDerWaalsContact O-CG2 3.3Å; S372-V376 WeakPolarHBondContact O-CG2 3.31Å; S372-V376 PolarHBondContact O-N 2.89Å |
| 373 | M | 94.3 | Very high | 93 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.9 | -48.3 | 179.8 | -69.6 | 176.6 | 71.2 | 0 | 0 | 111.3 | P307 M311 I361 Q364 L365 S369 C370 C375 V376 C377 | P307-M373 HydrophobicContact CB-CE 3.9Å; M311-M373 HydrophobicContact CE-CB 4.23Å; M311-M373 WeakPolarHBondContact CE-O 3.42Å; M311-M373 HydrophobicContact CG-CE 4.47Å; M311-M373 HydrophobicContact SD-CB 3.62Å; M311-M373 HydrophobicContact SD-CE 3.4Å; M311-M373 WeakPolarHBondContact SD-CE 3.34Å; M311-M373 HydrophobicContact SD-CG 3.67Å; M311-M373 HydrophobicContact SD-SD 4.39Å; I361-M373 HydrophobicContact CB-CE 4.41Å; I361-M373 HydrophobicContact CG1-CE 4.17Å; I361-M373 HydrophobicContact CG2-CE 3.87Å; Q364-M373 HydrophobicContact CB-CE 4.41Å; Q364-M373 HydrophobicContact CB-SD 3.91Å; L365-M373 HydrophobicContact CD2-CB 4.4Å; L365-M373 HydrophobicContact CD2-SD 4.49Å; S369-M373 PolarHBondContact O-N 2.93Å; S369-M373 VanDerWaalsContact O-N 3.16Å; C370-M373 PolarHBondContact O-N 2.99Å; M373-C375 VanDerWaalsContact C-N 3.31Å; M373-C375 PolarHBondContact O-N 3.01Å; M373-V376 PolarHBondContact O-N 3.46Å; M373-V376 VanDerWaalsContact O-N 3.14Å; M373-C377 PolarHBondContact O-N 3.18Å |
| 374 | I | 95.8 | Very high | 93 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.8 | -65.8 | 166.2 | 0 | 0 | 0 | 110.3 | V342 L365 C370 V376 C377 L378 L406 V424 I428 V434 | V342-I374 HydrophobicContact CG2-CD1 4.25Å; L365-I374 HydrophobicContact CD2-CG1 4.37Å; C370-I374 HydrophobicContact CB-CD1 4.45Å; C370-I374 WeakPolarHBondContact O-CB 3.45Å; C370-I374 VanDerWaalsContact O-CG1 3.28Å; C370-I374 WeakPolarHBondContact O-CG1 3.46Å; C370-I374 PolarHBondContact O-N 3.44Å; I374-V376 PolarHBondContact O-N 2.97Å; I374-C377 WeakPolarHBondContact O-CB 3.49Å; I374-C377 PolarHBondContact O-N 2.94Å; I374-L378 HydrophobicContact CG2-CD1 3.68Å; I374-L378 HydrophobicContact CG2-CG 4.24Å; I374-L378 VanDerWaalsContact O-CG 3.23Å; I374-L378 WeakPolarHBondContact O-CG 3.41Å; I374-L378 PolarHBondContact O-N 3.41Å; I374-L406 HydrophobicContact CG2-CD2 3.75Å; I374-V424 HydrophobicContact CD1-CG1 4.28Å; I374-I428 HydrophobicContact CD1-CG2 3.74Å; I374-V434 HydrophobicContact CG2-CG1 3.81Å |
| 375 | C | 96.7 | Very high | 92.7 | Very high | 8 Ų | 8 | 36 Ų | 36 | 5% | 0.054 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 175 | -66.8 | 0 | 0 | 0 | 0 | 112 | I371 S372 M373 C377 L378 S379 | I371-C375 WeakPolarHBondContact O-CB 3.32Å; I371-C375 PolarHBondContact O-N 2.98Å; I371-C375 PolarHBondContact O-SG 3.46Å; S372-C375 PolarHBondContact O-N 3.26Å; M373-C375 VanDerWaalsContact C-N 3.31Å; M373-C375 PolarHBondContact O-N 3.01Å; C375-C377 VanDerWaalsContact C-N 3.34Å; C375-C377 PolarHBondContact O-N 3.01Å; C375-L378 PolarHBondContact O-N 3.2Å; C375-S379 WeakPolarHBondContact O-CB 3.04Å; C375-S379 PolarHBondContact O-N 3.16Å; C375-S379 PolarHBondContact O-OG 3.27Å |
| 376 | V | 95.4 | Very high | 92.5 | Very high | 45 Ų | 45 | 42.4 Ų | 42.4 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 176.6 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | M311 A315 L335 S372 M373 I374 N380 | M311-V376 HydrophobicContact CB-CG1 4.42Å; M311-V376 HydrophobicContact CE-CB 4.09Å; M311-V376 HydrophobicContact CE-CG1 4Å; A315-V376 HydrophobicContact CB-CG1 4.21Å; L335-V376 HydrophobicContact CD2-CG1 3.97Å; S372-V376 VanDerWaalsContact O-CG2 3.3Å; S372-V376 WeakPolarHBondContact O-CG2 3.31Å; S372-V376 PolarHBondContact O-N 2.89Å; M373-V376 PolarHBondContact O-N 3.46Å; M373-V376 VanDerWaalsContact O-N 3.14Å; I374-V376 PolarHBondContact O-N 2.97Å; V376-N380 PolarHBondContact O-N 3.28Å; V376-N380 PolarHBondContact O-ND2 3.34Å |
| 377 | C | 95.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.4 | -57.6 | 172.1 | 164.6 | 0 | 0 | 0 | 0 | 110.7 | M311 L335 M373 I374 C375 S379 N380 I381 | M311-C377 HydrophobicContact CE-CB 4.38Å; L335-C377 WeakPolarHBondContact O-CB 3.32Å; L335-C377 PolarHBondContact O-SG 2.74Å; M373-C377 PolarHBondContact O-N 3.18Å; I374-C377 WeakPolarHBondContact O-CB 3.49Å; I374-C377 PolarHBondContact O-N 2.94Å; C375-C377 VanDerWaalsContact C-N 3.34Å; C375-C377 PolarHBondContact O-N 3.01Å; C377-S379 PolarHBondContact O-N 3.33Å; C377-N380 PolarHBondContact O-N 3.34Å; C377-N380 VanDerWaalsContact O-N 3.16Å; C377-I381 PolarHBondContact O-N 2.71Å |
| 378 | L | 96.9 | Very high | 92 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | -174.3 | -66.5 | 168 | 0 | 0 | 0 | 112.6 | I374 C375 N380 I381 I403 L406 V434 C437 A438 A441 | I374-L378 HydrophobicContact CG2-CD1 3.68Å; I374-L378 HydrophobicContact CG2-CG 4.24Å; I374-L378 VanDerWaalsContact O-CG 3.23Å; I374-L378 WeakPolarHBondContact O-CG 3.41Å; I374-L378 PolarHBondContact O-N 3.41Å; C375-L378 PolarHBondContact O-N 3.2Å; L378-N380 PolarHBondContact O-N 3.22Å; L378-I381 HydrophobicContact CD2-CD1 3.87Å; L378-I381 WeakPolarHBondContact O-CB 3.48Å; L378-I381 PolarHBondContact O-N 2.83Å; L378-I403 HydrophobicContact CD2-CG1 4.15Å; L378-L406 HydrophobicContact CD1-CD2 3.91Å; L378-L406 HydrophobicContact CD2-CD2 4.13Å; L378-L406 HydrophobicContact CG-CD2 4.44Å; L378-V434 HydrophobicContact CD1-CG1 4.42Å; L378-C437 HydrophobicContact CB-CB 3.89Å; L378-C437 HydrophobicContact CD1-CB 3.78Å; L378-A438 HydrophobicContact CD1-CB 3.91Å; L378-A438 HydrophobicContact CD2-CB 4.31Å; L378-A441 HydrophobicContact CB-CB 4.49Å; L378-A441 HydrophobicContact CD2-CB 4.26Å |
| 379 | S | 95.7 | Very high | 91.7 | Very high | 68 Ų | 68 | 34.1 Ų | 34.1 | 48% | 0.476 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.6 | -17 | 179.7 | -62.4 | 0 | 0 | 0 | 0 | 113.7 | C375 C377 | C375-S379 WeakPolarHBondContact O-CB 3.04Å; C375-S379 PolarHBondContact O-N 3.16Å; C375-S379 PolarHBondContact O-OG 3.27Å; C377-S379 PolarHBondContact O-N 3.33Å |
| 380 | N | 94.9 | Very high | 91.4 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -101.1 | -4.2 | 177.1 | -72.1 | -78.3 | 0 | 0 | 0 | 113.6 | A315 L318 L335 V376 C377 L378 P382 Q383 I384 | A315-N380 WeakPolarHBondContact CB-ND2 3.29Å; L318-N380 HydrophobicContact CD2-CB 4.45Å; L335-N380 HydrophobicContact CD1-CB 3.88Å; V376-N380 PolarHBondContact O-N 3.28Å; V376-N380 PolarHBondContact O-ND2 3.34Å; C377-N380 PolarHBondContact O-N 3.34Å; C377-N380 VanDerWaalsContact O-N 3.16Å; L378-N380 PolarHBondContact O-N 3.22Å; N380-P382 VanDerWaalsContact C-N 3.28Å; N380-Q383 PolarHBondContact O-N 3.43Å; N380-I384 PolarHBondContact O-N 3.32Å; N380-I384 VanDerWaalsContact O-N 3.17Å |
| 381 | I | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -52 | -39.7 | 173.7 | -68.2 | -174.6 | 0 | 0 | 0 | 113 | C377 L378 Q383 I384 T385 I399 I403 A441 L445 | C377-I381 PolarHBondContact O-N 2.71Å; L378-I381 HydrophobicContact CD2-CD1 3.87Å; L378-I381 WeakPolarHBondContact O-CB 3.48Å; L378-I381 PolarHBondContact O-N 2.83Å; I381-Q383 VanDerWaalsContact C-N 3.27Å; I381-Q383 PolarHBondContact O-N 2.97Å; I381-I384 PolarHBondContact O-N 3.42Å; I381-I384 VanDerWaalsContact O-N 3.1Å; I381-T385 HydrophobicContact CG2-CG2 4.02Å; I381-T385 WeakPolarHBondContact O-CG2 3.09Å; I381-T385 PolarHBondContact O-N 3.48Å; I381-T385 PolarHBondContact O-OG1 3.35Å; I381-I399 HydrophobicContact CD1-CG2 4.02Å; I381-I399 HydrophobicContact CG2-CG2 4.39Å; I381-I403 HydrophobicContact CD1-CD1 3.63Å; I381-I403 HydrophobicContact CD1-CG1 4.1Å; I381-A441 HydrophobicContact CB-CB 4.09Å; I381-A441 HydrophobicContact CD1-CB 3.85Å; I381-A441 HydrophobicContact CG1-CB 4.41Å; I381-A441 HydrophobicContact CG2-CB 4.22Å; I381-L445 HydrophobicContact CG2-CD1 3.92Å; I381-L445 HydrophobicContact CG2-CD2 4.25Å; I381-L445 HydrophobicContact CG2-CG 4.01Å |
| 382 | P | 90.6 | Very high | 90.7 | Very high | 36 Ų | 36 | 40.4 Ų | 40.4 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.2 | -42.2 | 176.1 | -28.5 | 37.6 | 0 | 0 | 0 | 113.2 | N380 T385 L386 V444 | N380-P382 VanDerWaalsContact C-N 3.28Å; P382-T385 PolarHBondContact O-N 2.78Å; P382-T385 PolarHBondContact O-OG1 3.29Å; P382-L386 WeakPolarHBondContact O-CG 3.35Å; P382-L386 PolarHBondContact O-N 2.98Å; P382-V444 HydrophobicContact CB-CG1 3.9Å; P382-V444 HydrophobicContact CB-CG2 4.41Å; P382-V444 HydrophobicContact CG-CB 4.21Å; P382-V444 HydrophobicContact CG-CG1 4.07Å; P382-V444 HydrophobicContact CG-CG2 3.91Å |
| 383 | Q | 90.9 | Very high | 90.4 | Very high | 75 Ų | 75 | 39.1 Ų | 39.1 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.3 | -38.7 | 178.5 | -58.9 | -57.9 | -26 | 0 | 0 | 111.4 | L318 R319 N380 I381 T385 L386 | L318-Q383 HydrophobicContact CD2-CB 3.65Å; L318-Q383 HydrophobicContact CG-CB 3.75Å; R319-Q383 HydrophobicContact CG-CG 4.24Å; N380-Q383 PolarHBondContact O-N 3.43Å; I381-Q383 VanDerWaalsContact C-N 3.27Å; I381-Q383 PolarHBondContact O-N 2.97Å; Q383-T385 VanDerWaalsContact C-N 3.29Å; Q383-T385 PolarHBondContact O-N 3.33Å; Q383-L386 PolarHBondContact O-N 2.94Å |
| 384 | I | 91 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 174.7 | -59.4 | 175 | 0 | 0 | 0 | 110.2 | L318 A332 L335 L336 N380 I381 L386 M387 L392 I399 | L318-I384 HydrophobicContact CD2-CD1 4.45Å; L318-I384 HydrophobicContact CD2-CG1 3.48Å; L318-I384 VanDerWaalsContact CD2-CG1 3.48Å; A332-I384 HydrophobicContact CB-CD1 4.46Å; A332-I384 HydrophobicContact CB-CG1 4.21Å; A332-I384 HydrophobicContact CB-CG2 4.33Å; L335-I384 HydrophobicContact CB-CD1 4.31Å; L336-I384 HydrophobicContact CD1-CD1 4.47Å; L336-I384 HydrophobicContact CD2-CD1 3.88Å; L336-I384 HydrophobicContact CG-CD1 3.91Å; N380-I384 PolarHBondContact O-N 3.32Å; N380-I384 VanDerWaalsContact O-N 3.17Å; I381-I384 PolarHBondContact O-N 3.42Å; I381-I384 VanDerWaalsContact O-N 3.1Å; I384-L386 PolarHBondContact O-N 3.15Å; I384-M387 HydrophobicContact CG2-SD 4.36Å; I384-M387 WeakPolarHBondContact O-CB 3.3Å; I384-M387 WeakPolarHBondContact O-CG 3.46Å; I384-M387 PolarHBondContact O-N 3.32Å; I384-L392 HydrophobicContact CG2-CD2 4.04Å; I384-L392 WeakPolarHBondContact O-CD2 3.24Å; I384-I399 HydrophobicContact CG2-CD1 4.2Å |
| 385 | T | 84.8 | Confident | 89.8 | Confident | 21 Ų | 21 | 42 Ų | 42 | 13% | 0.129 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.8 | -19.1 | -178.2 | 57.8 | 0 | 0 | 0 | 0 | 114.7 | I381 P382 Q383 Q396 L445 | I381-T385 HydrophobicContact CG2-CG2 4.02Å; I381-T385 WeakPolarHBondContact O-CG2 3.09Å; I381-T385 PolarHBondContact O-N 3.48Å; I381-T385 PolarHBondContact O-OG1 3.35Å; P382-T385 PolarHBondContact O-N 2.78Å; P382-T385 PolarHBondContact O-OG1 3.29Å; Q383-T385 VanDerWaalsContact C-N 3.29Å; Q383-T385 PolarHBondContact O-N 3.33Å; T385-Q396 PolarHBondContact O-NE2 3.17Å; T385-L445 HydrophobicContact CG2-CD2 3.31Å; T385-L445 HydrophobicContact CG2-CG 4.16Å |
| 386 | L | 87.3 | Confident | 89.4 | Confident | 135 Ų | 135 | 42.7 Ų | 42.7 | 71% | 0.707 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -8.9 | 177.3 | -67.7 | 172.8 | 0 | 0 | 0 | 112.9 | P382 Q383 I384 | P382-L386 WeakPolarHBondContact O-CG 3.35Å; P382-L386 PolarHBondContact O-N 2.98Å; Q383-L386 PolarHBondContact O-N 2.94Å; I384-L386 PolarHBondContact O-N 3.15Å |
| 387 | M | 87.8 | Confident | 89.1 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 14% | 0.138 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -66.4 | 150.1 | 179.1 | -62.3 | 175 | 67.8 | 0 | 0 | 111.5 | L318 A332 I384 C391 L392 | L318-M387 HydrophobicContact CD1-CE 4.44Å; L318-M387 HydrophobicContact CD1-CG 4.38Å; L318-M387 HydrophobicContact CD1-SD 3.71Å; A332-M387 HydrophobicContact CB-CE 4.17Å; A332-M387 HydrophobicContact CB-SD 3.79Å; I384-M387 HydrophobicContact CG2-SD 4.36Å; I384-M387 WeakPolarHBondContact O-CB 3.3Å; I384-M387 WeakPolarHBondContact O-CG 3.46Å; I384-M387 PolarHBondContact O-N 3.32Å; M387-C391 HydrophobicContact CE-CB 3.83Å; M387-C391 WeakPolarHBondContact CE-O 3.36Å; M387-L392 HydrophobicContact CB-CD2 4.11Å; M387-L392 HydrophobicContact CB-CG 4.36Å |
| 388 | A | 84.6 | Confident | 88.8 | Confident | 57 Ų | 57 | 50 Ų | 50 | 47% | 0.471 | 28% | 0.283 | S | S | . | . | trans | -61.8 | 146.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | D390 C391 L392 | A388-D390 WeakPolarHBondContact CB-OD1 3.39Å; A388-D390 PolarHBondContact O-N 3.2Å; A388-D390 VanDerWaalsContact O-N 3.13Å; A388-C391 PolarHBondContact O-N 3.14Å; A388-L392 PolarHBondContact O-N 3.12Å | ||
| 389 | S | 82.6 | Confident | 88.6 | Confident | 111 Ų | 111 | 49.9 Ų | 49.9 | 78% | 0.776 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -26.6 | -171.1 | -59.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 390 | D | 80.6 | Confident | 88.5 | Confident | 138 Ų | 138 | 46.7 Ų | 46.7 | 74% | 0.738 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -20.9 | 176.1 | 61.6 | -37.2 | 0 | 0 | 0 | 113.4 | A388 | A388-D390 WeakPolarHBondContact CB-OD1 3.39Å; A388-D390 PolarHBondContact O-N 3.2Å; A388-D390 VanDerWaalsContact O-N 3.13Å |
| 391 | C | 84.4 | Confident | 88.4 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 14% | 0.142 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -9.1 | 178 | -61.2 | 0 | 0 | 0 | 0 | 113 | M387 A388 | M387-C391 HydrophobicContact CE-CB 3.83Å; M387-C391 WeakPolarHBondContact CE-O 3.36Å; A388-C391 PolarHBondContact O-N 3.14Å |
| 392 | L | 87.3 | Confident | 88.4 | Confident | 32 Ų | 32 | 48.8 Ų | 48.8 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | trans | -70.7 | 130.3 | 178.6 | -80 | 172.9 | 0 | 0 | 0 | 110.4 | I384 M387 A388 C394 Q396 | I384-L392 HydrophobicContact CG2-CD2 4.04Å; I384-L392 WeakPolarHBondContact O-CD2 3.24Å; M387-L392 HydrophobicContact CB-CD2 4.11Å; M387-L392 HydrophobicContact CB-CG 4.36Å; A388-L392 PolarHBondContact O-N 3.12Å; L392-C394 VanDerWaalsContact C-N 3.26Å; L392-C394 PolarHBondContact O-N 2.92Å; L392-Q396 HydrophobicContact CD1-CG 3.99Å | ||
| 393 | P | 87.3 | Confident | 88.6 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 20% | 0.195 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -69.1 | -26.7 | 179.4 | 28.1 | -35 | 0 | 0 | 0 | 112.7 | A332 R333 L336 L348 | A332-P393 HydrophobicContact CB-CG 4Å; R333-P393 HydrophobicContact CG-CB 3.71Å; L336-P393 HydrophobicContact CD1-CG 3.48Å; L336-P393 VanDerWaalsContact CD1-CG 3.48Å; L348-P393 HydrophobicContact CD2-CB 3.98Å |
| 394 | C | 89.1 | Confident | 88.7 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -155 | 164.1 | 176.5 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | L347 L392 Q396 L398 | L347-C394 WeakPolarHBondContact O-CB 3.44Å; L347-C394 PolarHBondContact O-SG 2.98Å; L347-C394 VanDerWaalsContact O-SG 3.4Å; L392-C394 VanDerWaalsContact C-N 3.26Å; L392-C394 PolarHBondContact O-N 2.92Å; C394-Q396 PolarHBondContact O-N 3.34Å; C394-L398 HydrophobicContact CB-CD1 4.34Å |
| 395 | P | 88.9 | Confident | 88.8 | Confident | 60 Ų | 60 | 46.5 Ų | 46.5 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | trans | -57.6 | 133.5 | 172.5 | -26.1 | 35.4 | 0 | 0 | 0 | 112.2 | R397 L398 | P395-R397 HydrophobicContact CB-CG 4.01Å; P395-R397 PolarHBondContact O-N 3.06Å; P395-L398 WeakPolarHBondContact O-CB 3.35Å; P395-L398 PolarHBondContact O-N 3.04Å | ||
| 396 | Q | 88.8 | Confident | 89.3 | Confident | 21 Ų | 21 | 45.5 Ų | 45.5 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.5 | -27.2 | -177 | -62.2 | -174.2 | -6.7 | 0 | 0 | 113.6 | T385 L392 C394 L398 I399 V400 S448 P449 | T385-Q396 PolarHBondContact O-NE2 3.17Å; L392-Q396 HydrophobicContact CD1-CG 3.99Å; C394-Q396 PolarHBondContact O-N 3.34Å; Q396-L398 VanDerWaalsContact C-N 3.28Å; Q396-L398 PolarHBondContact O-N 3.24Å; Q396-I399 WeakPolarHBondContact O-CB 3.36Å; Q396-I399 PolarHBondContact O-N 3.07Å; Q396-V400 PolarHBondContact O-N 2.69Å; Q396-V400 VanDerWaalsContact O-N 3.1Å; Q396-S448 PolarHBondContact OE1-OG 3.45Å; Q396-P449 VanDerWaalsContact OE1-CD 3.31Å |
| 397 | R | 88.2 | Confident | 89.7 | Confident | 149 Ų | 149 | 39.1 Ų | 39.1 | 56% | 0.562 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -57.9 | -36.7 | 172.4 | 69.7 | 178.3 | -178 | -127.5 | -1.6 | 113.4 | P395 I399 V400 T401 | P395-R397 HydrophobicContact CB-CG 4.01Å; P395-R397 PolarHBondContact O-N 3.06Å; R397-I399 VanDerWaalsContact C-N 3.34Å; R397-V400 PolarHBondContact O-N 2.79Å; R397-T401 PolarHBondContact O-N 3.46Å; R397-T401 PolarHBondContact O-OG1 3.47Å |
| 398 | L | 90.1 | Very high | 89.9 | Confident | 50 Ų | 50 | 40.5 Ų | 40.5 | 26% | 0.262 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.5 | -35.9 | 179.8 | -64 | -177.7 | 0 | 0 | 0 | 110.6 | V345 L347 C394 P395 Q396 V400 T401 A402 | V345-L398 HydrophobicContact CG1-CB 4.33Å; L347-L398 HydrophobicContact CD2-CB 3.68Å; C394-L398 HydrophobicContact CB-CD1 4.34Å; P395-L398 WeakPolarHBondContact O-CB 3.35Å; P395-L398 PolarHBondContact O-N 3.04Å; Q396-L398 VanDerWaalsContact C-N 3.28Å; Q396-L398 PolarHBondContact O-N 3.24Å; L398-V400 VanDerWaalsContact C-N 3.34Å; L398-T401 PolarHBondContact O-N 3.17Å; L398-A402 WeakPolarHBondContact O-CB 3.35Å; L398-A402 PolarHBondContact O-N 2.61Å |
| 399 | I | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 173.2 | -54.8 | 177.3 | 0 | 0 | 0 | 110 | L336 I381 I384 Q396 R397 A402 I403 L445 | L336-I399 HydrophobicContact CD1-CD1 4.14Å; L336-I399 HydrophobicContact CD1-CG1 4.44Å; L336-I399 HydrophobicContact CD2-CD1 4.45Å; L336-I399 HydrophobicContact CD2-CG2 4.5Å; I381-I399 HydrophobicContact CD1-CG2 4.02Å; I381-I399 HydrophobicContact CG2-CG2 4.39Å; I384-I399 HydrophobicContact CG2-CD1 4.2Å; Q396-I399 WeakPolarHBondContact O-CB 3.36Å; Q396-I399 PolarHBondContact O-N 3.07Å; R397-I399 VanDerWaalsContact C-N 3.34Å; I399-A402 PolarHBondContact O-N 3.02Å; I399-I403 HydrophobicContact CG2-CD1 4.2Å; I399-I403 WeakPolarHBondContact O-CG1 3.14Å; I399-I403 PolarHBondContact O-N 3.05Å; I399-L445 HydrophobicContact CG2-CD1 4.14Å |
| 400 | V | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.2 | -48.9 | 174.6 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | Q396 R397 L398 A402 I403 L404 L442 L445 V451 V454 V458 W486 | Q396-V400 PolarHBondContact O-N 2.69Å; Q396-V400 VanDerWaalsContact O-N 3.1Å; R397-V400 PolarHBondContact O-N 2.79Å; L398-V400 VanDerWaalsContact C-N 3.34Å; V400-A402 VanDerWaalsContact C-N 3.3Å; V400-A402 PolarHBondContact O-N 3.42Å; V400-I403 PolarHBondContact O-N 3.41Å; V400-L404 HydrophobicContact CG1-CD1 4Å; V400-L404 HydrophobicContact CG1-CG 4.27Å; V400-L404 WeakPolarHBondContact O-CG 3.15Å; V400-L404 PolarHBondContact O-N 3.33Å; V400-L442 HydrophobicContact CG1-CD1 4.15Å; V400-L445 HydrophobicContact CG2-CB 3.93Å; V400-L445 HydrophobicContact CG2-CD1 3.94Å; V400-L445 HydrophobicContact CG2-CD2 4.15Å; V400-L445 HydrophobicContact CG2-CG 4.25Å; V400-V451 HydrophobicContact CG2-CG1 4.32Å; V400-V454 HydrophobicContact CB-CG2 4.42Å; V400-V454 HydrophobicContact CG1-CB 4.5Å; V400-V454 HydrophobicContact CG1-CG2 3.75Å; V400-V458 HydrophobicContact CG1-CG2 4.38Å; V400-W486 HydrophobicContact CG1-CH2 3.95Å; V400-W486 HydrophobicContact CG1-CZ2 4.42Å; V400-W486 HydrophobicContact CG2-CH2 4.25Å |
| 401 | T | 92 | Very high | 90.7 | Very high | 51 Ų | 51 | 27 Ų | 27 | 31% | 0.313 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -56.5 | -44.6 | 177.4 | -60.1 | 0 | 0 | 0 | 0 | 112 | V345 R397 L398 L404 L405 | V345-T401 HydrophobicContact CG2-CG2 4.36Å; R397-T401 PolarHBondContact O-N 3.46Å; R397-T401 PolarHBondContact O-OG1 3.47Å; L398-T401 PolarHBondContact O-N 3.17Å; T401-L404 PolarHBondContact O-N 3.05Å; T401-L405 HydrophobicContact CG2-CD1 4.17Å; T401-L405 WeakPolarHBondContact O-CG 3.21Å; T401-L405 PolarHBondContact O-N 2.91Å |
| 402 | A | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L339 T343 V345 L347 L398 I399 V400 L404 L405 L406 | L339-A402 HydrophobicContact CD1-CB 4.31Å; L339-A402 HydrophobicContact CD2-CB 3.8Å; L339-A402 HydrophobicContact CG-CB 3.79Å; T343-A402 HydrophobicContact CG2-CB 4.22Å; T343-A402 WeakPolarHBondContact CG2-O 3.44Å; V345-A402 HydrophobicContact CB-CB 4.08Å; V345-A402 HydrophobicContact CG1-CB 4.43Å; V345-A402 HydrophobicContact CG2-CB 3.98Å; L347-A402 HydrophobicContact CD1-CB 4.02Å; L347-A402 HydrophobicContact CD2-CB 4.22Å; L347-A402 HydrophobicContact CG-CB 4.47Å; L398-A402 WeakPolarHBondContact O-CB 3.35Å; L398-A402 PolarHBondContact O-N 2.61Å; I399-A402 PolarHBondContact O-N 3.02Å; V400-A402 VanDerWaalsContact C-N 3.3Å; V400-A402 PolarHBondContact O-N 3.42Å; A402-L404 PolarHBondContact O-N 2.85Å; A402-L405 PolarHBondContact O-N 3.36Å; A402-L406 WeakPolarHBondContact O-CB 3.33Å; A402-L406 PolarHBondContact O-N 3.05Å |
| 403 | I | 95.4 | Very high | 89 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 174.3 | -67.5 | 169.2 | 0 | 0 | 0 | 111.5 | L339 L378 I381 I399 V400 L405 L406 L407 A438 A441 L442 L445 | L339-I403 HydrophobicContact CD2-CG1 4.22Å; L378-I403 HydrophobicContact CD2-CG1 4.15Å; I381-I403 HydrophobicContact CD1-CD1 3.63Å; I381-I403 HydrophobicContact CD1-CG1 4.1Å; I399-I403 HydrophobicContact CG2-CD1 4.2Å; I399-I403 WeakPolarHBondContact O-CG1 3.14Å; I399-I403 PolarHBondContact O-N 3.05Å; V400-I403 PolarHBondContact O-N 3.41Å; I403-L405 VanDerWaalsContact C-N 3.32Å; I403-L405 PolarHBondContact O-N 3.36Å; I403-L406 PolarHBondContact O-N 3.22Å; I403-L407 HydrophobicContact CG2-CD1 4Å; I403-L407 HydrophobicContact CG2-CG 4.35Å; I403-L407 WeakPolarHBondContact O-CB 3.25Å; I403-L407 WeakPolarHBondContact O-CG 3.35Å; I403-L407 PolarHBondContact O-N 3.36Å; I403-A438 HydrophobicContact CG2-CB 4.23Å; I403-A441 HydrophobicContact CD1-CB 3.82Å; I403-L442 HydrophobicContact CG2-CB 4.27Å; I403-L442 HydrophobicContact CG2-CD1 4.44Å; I403-L445 HydrophobicContact CD1-CD1 3.17Å |
| 404 | L | 94.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.8 | -39.3 | 177.8 | -67.9 | 175.5 | 0 | 0 | 0 | 111.8 | V400 T401 A402 L407 R408 L442 E457 V458 V461 | V400-L404 HydrophobicContact CG1-CD1 4Å; V400-L404 HydrophobicContact CG1-CG 4.27Å; V400-L404 WeakPolarHBondContact O-CG 3.15Å; V400-L404 PolarHBondContact O-N 3.33Å; T401-L404 PolarHBondContact O-N 3.05Å; A402-L404 PolarHBondContact O-N 2.85Å; L404-L407 HydrophobicContact CD2-CD1 4.47Å; L404-L407 PolarHBondContact O-N 3.38Å; L404-R408 WeakPolarHBondContact O-CG 3.34Å; L404-R408 PolarHBondContact O-N 3.23Å; L404-R408 VanDerWaalsContact O-N 3.07Å; L404-L442 HydrophobicContact CD2-CD1 4.14Å; L404-L442 HydrophobicContact CD2-CD2 4.23Å; L404-E457 HydrophobicContact CD1-CB 3.87Å; L404-V458 HydrophobicContact CD1-CG2 3.88Å; L404-V458 HydrophobicContact CD2-CB 4.44Å; L404-V458 HydrophobicContact CD2-CG2 4.01Å; L404-V458 HydrophobicContact CG-CG2 4.44Å; L404-V461 HydrophobicContact CB-CG2 4.44Å; L404-V461 HydrophobicContact CD2-CB 4.14Å; L404-V461 HydrophobicContact CD2-CG1 4.45Å; L404-V461 HydrophobicContact CD2-CG2 4.06Å |
| 405 | L | 93.1 | Very high | 85.7 | Confident | 60 Ų | 60 | 39.4 Ų | 39.4 | 31% | 0.314 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.8 | -44.7 | 172.5 | -72.3 | 169.6 | 0 | 0 | 0 | 111.5 | T343 V345 T401 A402 I403 L407 R408 L409 | T343-L405 HydrophobicContact CG2-CB 4.3Å; V345-L405 HydrophobicContact CG2-CD1 3.4Å; T401-L405 HydrophobicContact CG2-CD1 4.17Å; T401-L405 WeakPolarHBondContact O-CG 3.21Å; T401-L405 PolarHBondContact O-N 2.91Å; A402-L405 PolarHBondContact O-N 3.36Å; I403-L405 VanDerWaalsContact C-N 3.32Å; I403-L405 PolarHBondContact O-N 3.36Å; L405-L407 VanDerWaalsContact C-N 3.33Å; L405-L407 PolarHBondContact O-N 2.96Å; L405-R408 WeakPolarHBondContact O-CB 3.41Å; L405-R408 PolarHBondContact O-N 2.92Å; L405-R408 VanDerWaalsContact O-N 3.14Å; L405-L409 WeakPolarHBondContact O-CG 3.46Å; L405-L409 PolarHBondContact O-N 3.2Å |
| 406 | L | 94.8 | Very high | 84 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.9 | -44.4 | 175.5 | 179.9 | 67.6 | 0 | 0 | 0 | 111.8 | L339 V342 T343 I374 L378 A402 I403 R408 L409 C410 I428 V434 A438 | L339-L406 HydrophobicContact CD1-CB 4.09Å; L339-L406 HydrophobicContact CD1-CD2 3.85Å; L339-L406 HydrophobicContact CD1-CG 4.47Å; V342-L406 HydrophobicContact CG1-CD1 3.88Å; T343-L406 HydrophobicContact CG2-CB 4.06Å; I374-L406 HydrophobicContact CG2-CD2 3.75Å; L378-L406 HydrophobicContact CD1-CD2 3.91Å; L378-L406 HydrophobicContact CD2-CD2 4.13Å; L378-L406 HydrophobicContact CG-CD2 4.44Å; A402-L406 WeakPolarHBondContact O-CB 3.33Å; A402-L406 PolarHBondContact O-N 3.05Å; I403-L406 PolarHBondContact O-N 3.22Å; L406-R408 VanDerWaalsContact C-N 3.3Å; L406-R408 PolarHBondContact O-N 3.32Å; L406-L409 WeakPolarHBondContact O-CB 3.1Å; L406-L409 PolarHBondContact O-N 2.62Å; L406-C410 PolarHBondContact O-N 2.96Å; L406-C410 PolarHBondContact O-SG 3.45Å; L406-I428 HydrophobicContact CD1-CD1 3.76Å; L406-V434 HydrophobicContact CD2-CG1 4.23Å; L406-A438 HydrophobicContact CD2-CB 4.43Å |
| 407 | L | 94.5 | Very high | 82 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 176.2 | -77.2 | 170 | 0 | 0 | 0 | 111.4 | I403 L404 L405 C410 C411 A438 L439 L442 V461 Y465 | I403-L407 HydrophobicContact CG2-CD1 4Å; I403-L407 HydrophobicContact CG2-CG 4.35Å; I403-L407 WeakPolarHBondContact O-CB 3.25Å; I403-L407 WeakPolarHBondContact O-CG 3.35Å; I403-L407 PolarHBondContact O-N 3.36Å; L404-L407 HydrophobicContact CD2-CD1 4.47Å; L404-L407 PolarHBondContact O-N 3.38Å; L405-L407 VanDerWaalsContact C-N 3.33Å; L405-L407 PolarHBondContact O-N 2.96Å; L407-C410 PolarHBondContact O-N 3.05Å; L407-C411 PolarHBondContact O-N 3.38Å; L407-A438 HydrophobicContact CD2-CB 3.59Å; L407-A438 HydrophobicContact CG-CB 3.92Å; L407-L439 HydrophobicContact CD1-CD2 4.16Å; L407-L439 HydrophobicContact CD2-CD2 4.22Å; L407-L439 HydrophobicContact CD2-CG 4.08Å; L407-L442 HydrophobicContact CD1-CD2 4.03Å; L407-V461 HydrophobicContact CB-CG1 3.77Å; L407-V461 HydrophobicContact CD1-CG1 4.1Å; L407-Y465 HydrophobicContact CB-CE2 3.93Å; L407-Y465 HydrophobicContact CD2-CE1 4.47Å; L407-Y465 HydrophobicContact CD2-CE2 4.14Å; L407-Y465 WeakPolarHBondContact O-CE2 3.36Å; L407-Y465 PolarHBondContact O-OH 3.41Å |
| 408 | R | 91.8 | Very high | 80.3 | Confident | 57 Ų | 57 | 39.6 Ų | 39.6 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -38.7 | 174.6 | -71.2 | 176.1 | -175.6 | 122.4 | 1.2 | 112.7 | L404 L405 L406 C410 C411 S414 V461 | L404-R408 WeakPolarHBondContact O-CG 3.34Å; L404-R408 PolarHBondContact O-N 3.23Å; L404-R408 VanDerWaalsContact O-N 3.07Å; L405-R408 WeakPolarHBondContact O-CB 3.41Å; L405-R408 PolarHBondContact O-N 2.92Å; L405-R408 VanDerWaalsContact O-N 3.14Å; L406-R408 VanDerWaalsContact C-N 3.3Å; L406-R408 PolarHBondContact O-N 3.32Å; R408-C410 VanDerWaalsContact C-N 3.25Å; R408-C410 PolarHBondContact O-N 3.23Å; R408-C411 WeakPolarHBondContact O-CB 3.39Å; R408-C411 PolarHBondContact O-N 3.25Å; R408-S414 WeakPolarHBondContact O-CB 3.41Å; R408-S414 PolarHBondContact O-OG 3.16Å; R408-V461 HydrophobicContact CG-CG2 3.92Å; R408-V461 VanDerWaalsContact CZ-CG2 3.46Å; R408-V461 VanDerWaalsContact NH2-CG2 3.34Å |
| 409 | L | 90.3 | Very high | 78.4 | Confident | 13 Ų | 13 | 42.8 Ų | 42.8 | 7% | 0.068 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -30.2 | 174.5 | -67 | 173.8 | 0 | 0 | 0 | 112.4 | V342 L405 L406 C411 V425 I428 T429 | V342-L409 HydrophobicContact CG1-CD1 4.02Å; L405-L409 WeakPolarHBondContact O-CG 3.46Å; L405-L409 PolarHBondContact O-N 3.2Å; L406-L409 WeakPolarHBondContact O-CB 3.1Å; L406-L409 PolarHBondContact O-N 2.62Å; L409-C411 VanDerWaalsContact C-N 3.31Å; L409-V425 HydrophobicContact CD2-CG2 4.2Å; L409-I428 HydrophobicContact CB-CD1 4.06Å; L409-T429 PolarHBondContact O-OG1 3.26Å |
| 410 | C | 91.1 | Very high | 76.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.3 | -18.3 | 176 | -63.6 | 0 | 0 | 0 | 0 | 112.9 | L406 L407 R408 G430 Q435 Y465 | L406-C410 PolarHBondContact O-N 2.96Å; L406-C410 PolarHBondContact O-SG 3.45Å; L407-C410 PolarHBondContact O-N 3.05Å; R408-C410 VanDerWaalsContact C-N 3.25Å; R408-C410 PolarHBondContact O-N 3.23Å; C410-G430 PolarHBondContact O-N 3.41Å; C410-Q435 HydrophobicContact CB-CG 3.64Å; C410-Q435 PolarHBondContact O-NE2 3.39Å; C410-Y465 WeakPolarHBondContact CB-OH 3.32Å |
| 411 | C | 84.5 | Confident | 75.3 | Confident | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | trans | -75.4 | 133.4 | 178.2 | -79.2 | 0 | 0 | 0 | 0 | 111.5 | L407 R408 L409 D413 S414 Y465 | L407-C411 PolarHBondContact O-N 3.38Å; R408-C411 WeakPolarHBondContact O-CB 3.39Å; R408-C411 PolarHBondContact O-N 3.25Å; L409-C411 VanDerWaalsContact C-N 3.31Å; C411-D413 VanDerWaalsContact C-N 3.33Å; C411-S414 WeakPolarHBondContact CB-OG 3.33Å; C411-S414 PolarHBondContact O-OG 3.2Å; C411-Y465 WeakPolarHBondContact SG-CE2 3.48Å; C411-Y465 VanDerWaalsContact SG-CZ 3.52Å | ||
| 412 | V | 71.4 | Confident | 74.3 | Confident | 80 Ų | 80 | 48 Ų | 48 | 49% | 0.485 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -31.3 | -179.2 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | S414 T429 | V412-S414 VanDerWaalsContact C-N 3.34Å; V412-S414 PolarHBondContact O-N 3.26Å; V412-T429 HydrophobicContact CB-CG2 4.42Å; V412-T429 HydrophobicContact CG2-CG2 3.92Å |
| 413 | D | 63.5 | Low | 73.7 | Confident | 106 Ų | 106 | 52.9 Ų | 52.9 | 57% | 0.567 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -1.8 | -172.7 | -55.2 | -45.7 | 0 | 0 | 0 | 113.2 | C411 S415 S468 | C411-D413 VanDerWaalsContact C-N 3.33Å; D413-S415 PolarHBondContact O-N 3.04Å; D413-S468 WeakPolarHBondContact OD2-CB 3.42Å; D413-S468 PolarHBondContact OD2-OG 3.4Å |
| 414 | S | 58.5 | Low | 73.2 | Confident | 41 Ų | 41 | 52.9 Ų | 52.9 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | trans | -82.2 | 106.3 | -177.6 | -38.1 | 0 | 0 | 0 | 0 | 111.2 | R408 C411 V412 S416 | R408-S414 WeakPolarHBondContact O-CB 3.41Å; R408-S414 PolarHBondContact O-OG 3.16Å; C411-S414 WeakPolarHBondContact CB-OG 3.33Å; C411-S414 PolarHBondContact O-OG 3.2Å; V412-S414 VanDerWaalsContact C-N 3.34Å; V412-S414 PolarHBondContact O-N 3.26Å; S414-S416 PolarHBondContact O-N 3.12Å | ||
| 415 | S | 49.7 | Very low | 72.8 | Confident | 126 Ų | 126 | 54.4 Ų | 54.4 | 88% | 0.881 | 34% | 0.344 | S | S | * | . | trans | -76.9 | 45.3 | 166.9 | 62.2 | 0 | 0 | 0 | 0 | 111.9 | D413 S417 | D413-S415 PolarHBondContact O-N 3.04Å; S415-S417 PolarHBondContact O-N 3.06Å | ||
| 416 | S | 52.1 | Low | 72.5 | Confident | 63 Ų | 63 | 60 Ų | 60 | 44% | 0.441 | 36% | 0.361 | S | S | . | . | trans | -86.6 | 109.1 | 177.8 | 56.7 | 0 | 0 | 0 | 0 | 110 | S414 S418 | S414-S416 PolarHBondContact O-N 3.12Å; S416-S418 VanDerWaalsContact C-N 3.34Å; S416-S418 PolarHBondContact O-N 3.25Å | ||
| 417 | S | 47.6 | Very low | 72.3 | Confident | 130 Ų | 130 | 61.8 Ų | 61.8 | 91% | 0.909 | 37% | 0.369 | S | S | * | . | trans | -56.8 | 97.5 | 157.6 | 169.1 | 0 | 0 | 0 | 0 | 108.2 | S415 | S415-S417 PolarHBondContact O-N 3.06Š| ||
| 418 | S | 51.7 | Low | 72.2 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 28% | 0.28 | 37% | 0.369 | S | S | . | . | trans | -94 | 134.3 | 178.5 | 159.9 | 0 | 0 | 0 | 0 | 109.7 | S416 G420 | S416-S418 VanDerWaalsContact C-N 3.34Å; S416-S418 PolarHBondContact O-N 3.25Å; S418-G420 PolarHBondContact O-N 3.35Å; S418-G420 PolarHBondContact OG-N 3.02Å | ||
| 419 | A | 50.3 | Low | 72.1 | Confident | 117 Ų | 117 | 61.6 Ų | 61.6 | 97% | 0.967 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -71.5 | -8.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 420 | G | 56.6 | Low | 72.1 | Confident | 13 Ų | 13 | 63 Ų | 63 | 13% | 0.134 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -74.4 | 169.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S418 V422 | S418-G420 PolarHBondContact O-N 3.35Å; S418-G420 PolarHBondContact OG-N 3.02Å; G420-V422 PolarHBondContact O-N 3.16Å |
| 421 | C | 64.6 | Low | 72.2 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | trans | -63 | 101.8 | -176 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | E423 V424 V425 | C421-E423 PolarHBondContact O-N 3.38Å; C421-V424 HydrophobicContact CB-CB 4.45Å; C421-V424 HydrophobicContact CB-CG2 3.69Å; C421-V424 WeakPolarHBondContact O-CB 3.37Å; C421-V424 PolarHBondContact O-N 2.65Å; C421-V425 PolarHBondContact O-N 3.17Å | ||
| 422 | V | 71.4 | Confident | 72.6 | Confident | 115 Ų | 115 | 66.1 Ų | 66.1 | 70% | 0.697 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -49.3 | -34.3 | -178.2 | 177.3 | 0 | 0 | 0 | 0 | 112.6 | G420 V424 V425 R426 | G420-V422 PolarHBondContact O-N 3.16Å; V422-V424 VanDerWaalsContact C-N 3.34Å; V422-V424 PolarHBondContact O-N 3.47Å; V422-V425 PolarHBondContact O-N 3.47Å; V422-R426 PolarHBondContact O-N 3.33Å |
| 423 | E | 80.3 | Confident | 73.7 | Confident | 101 Ų | 101 | 67.9 Ų | 67.9 | 47% | 0.472 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.4 | -34.9 | 178.7 | -63.6 | 174.2 | 167.7 | 0 | 0 | 112.8 | K366 C421 F427 | K366-E423 WeakPolarHBondContact CB-OE2 3.44Å; K366-E423 WeakPolarHBondContact CD-OE2 3.47Å; K366-E423 WeakPolarHBondContact CG-OE2 3.41Å; C421-E423 PolarHBondContact O-N 3.38Å; E423-F427 VanDerWaalsContact O-CD2 3.27Å; E423-F427 WeakPolarHBondContact O-CD2 3.31Å |
| 424 | V | 85 | Confident | 75.3 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.006 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71 | -43.5 | 177.5 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | V342 L365 C370 I374 C421 V422 R426 F427 I428 | V342-V424 HydrophobicContact CG1-CG1 4.42Å; V342-V424 HydrophobicContact CG2-CG1 3.83Å; L365-V424 HydrophobicContact CB-CG2 3.84Å; L365-V424 WeakPolarHBondContact O-CG2 3.28Å; C370-V424 HydrophobicContact CB-CG1 4.26Å; I374-V424 HydrophobicContact CD1-CG1 4.28Å; C421-V424 HydrophobicContact CB-CB 4.45Å; C421-V424 HydrophobicContact CB-CG2 3.69Å; C421-V424 WeakPolarHBondContact O-CB 3.37Å; C421-V424 PolarHBondContact O-N 2.65Å; V422-V424 VanDerWaalsContact C-N 3.34Å; V422-V424 PolarHBondContact O-N 3.47Å; V424-R426 PolarHBondContact O-N 3.05Å; V424-F427 PolarHBondContact O-N 3.35Å; V424-I428 HydrophobicContact CG1-CG2 4.32Å; V424-I428 PolarHBondContact O-N 3.41Å |
| 425 | V | 86 | Confident | 77.1 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 21% | 0.206 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -52.7 | -43.9 | -179.2 | 178.8 | 0 | 0 | 0 | 0 | 110 | L409 C421 V422 F427 I428 T429 | L409-V425 HydrophobicContact CD2-CG2 4.2Å; C421-V425 PolarHBondContact O-N 3.17Å; V422-V425 PolarHBondContact O-N 3.47Å; V425-F427 PolarHBondContact O-N 3.33Å; V425-F427 VanDerWaalsContact O-N 3.09Å; V425-I428 WeakPolarHBondContact O-CG1 3.35Å; V425-I428 PolarHBondContact O-N 3.19Å; V425-T429 WeakPolarHBondContact CG1-OG1 3.18Å; V425-T429 PolarHBondContact O-N 3.19Å; V425-T429 PolarHBondContact O-OG1 3.16Å |
| 426 | R | 87.9 | Confident | 79.2 | Confident | 177 Ų | 177 | 58.2 Ų | 58.2 | 67% | 0.668 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -54.2 | -32 | 176.7 | -169.9 | -177.2 | 66.9 | 87.8 | -6 | 114.4 | V422 V424 | V422-R426 PolarHBondContact O-N 3.33Å; V424-R426 PolarHBondContact O-N 3.05Å |
| 427 | F | 90.7 | Very high | 81.3 | Confident | 39 Ų | 39 | 56 Ų | 56 | 17% | 0.171 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -86.9 | -26.5 | 179.6 | -67.5 | -66.4 | 0 | 0 | 0 | 113.8 | K366 K368 C370 E423 V424 V425 | K366-F427 WeakPolarHBondContact O-CE2 3.36Å; K368-F427 HydrophobicContact CB-CD1 4.24Å; K368-F427 HydrophobicContact CB-CE1 3.91Å; K368-F427 HydrophobicContact CB-CZ 4.41Å; K368-F427 HydrophobicContact CG-CD1 4.31Å; K368-F427 HydrophobicContact CG-CE1 4.35Å; C370-F427 VanDerWaalsContact SG-CB 3.52Å; E423-F427 VanDerWaalsContact O-CD2 3.27Å; E423-F427 WeakPolarHBondContact O-CD2 3.31Å; V424-F427 PolarHBondContact O-N 3.35Å; V425-F427 PolarHBondContact O-N 3.33Å; V425-F427 VanDerWaalsContact O-N 3.09Å |
| 428 | I | 91.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -98.3 | -23.5 | -174.4 | 63.9 | 171.7 | 0 | 0 | 0 | 113.3 | V342 I374 L406 L409 V424 V425 G430 N431 V434 | V342-I428 HydrophobicContact CG1-CD1 4.14Å; I374-I428 HydrophobicContact CD1-CG2 3.74Å; L406-I428 HydrophobicContact CD1-CD1 3.76Å; L409-I428 HydrophobicContact CB-CD1 4.06Å; V424-I428 HydrophobicContact CG1-CG2 4.32Å; V424-I428 PolarHBondContact O-N 3.41Å; V425-I428 WeakPolarHBondContact O-CG1 3.35Å; V425-I428 PolarHBondContact O-N 3.19Å; I428-G430 PolarHBondContact O-N 3.41Å; I428-N431 VanDerWaalsContact O-CB 3.22Å; I428-N431 WeakPolarHBondContact O-CB 3.34Å; I428-N431 PolarHBondContact O-N 2.77Å; I428-V434 HydrophobicContact CG2-CG2 4.32Å |
| 429 | T | 90.5 | Very high | 85.9 | Confident | 53 Ų | 53 | 47.9 Ų | 47.9 | 33% | 0.325 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 124.7 | 175.5 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | L409 V412 V425 N431 | L409-T429 PolarHBondContact O-OG1 3.26Å; V412-T429 HydrophobicContact CB-CG2 4.42Å; V412-T429 HydrophobicContact CG2-CG2 3.92Å; V425-T429 WeakPolarHBondContact CG1-OG1 3.18Å; V425-T429 PolarHBondContact O-N 3.19Å; V425-T429 PolarHBondContact O-OG1 3.16Å; T429-N431 PolarHBondContact O-N 3.38Å |
| 430 | G | 89.7 | Confident | 88 | Confident | 41 Ų | 41 | 46.2 Ų | 46.2 | 42% | 0.423 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 7.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | C410 I428 S432 | C410-G430 PolarHBondContact O-N 3.41Å; I428-G430 PolarHBondContact O-N 3.41Å; G430-S432 PolarHBondContact O-N 3.49Å; G430-S432 VanDerWaalsContact O-N 3.16Å |
| 431 | N | 92.6 | Very high | 89.8 | Confident | 37 Ų | 37 | 45.7 Ų | 45.7 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | trans | -80.2 | 100.9 | -177.2 | -166.6 | -71.8 | 0 | 0 | 0 | 111.6 | I371 I428 T429 K433 V434 Q435 | I371-N431 WeakPolarHBondContact CD1-ND2 3.47Å; I428-N431 VanDerWaalsContact O-CB 3.22Å; I428-N431 WeakPolarHBondContact O-CB 3.34Å; I428-N431 PolarHBondContact O-N 2.77Å; T429-N431 PolarHBondContact O-N 3.38Å; N431-K433 PolarHBondContact O-N 2.9Å; N431-K433 VanDerWaalsContact O-N 3.13Å; N431-K433 WeakPolarHBondContact OD1-CB 3.45Å; N431-K433 PolarHBondContact OD1-N 2.96Å; N431-K433 VanDerWaalsContact OD1-N 3.15Å; N431-V434 HydrophobicContact CB-CB 4.35Å; N431-V434 HydrophobicContact CB-CG2 4.23Å; N431-V434 PolarHBondContact O-N 3.28Å; N431-V434 VanDerWaalsContact O-N 3.17Å; N431-V434 PolarHBondContact OD1-N 2.96Å; N431-V434 VanDerWaalsContact OD1-N 3.13Å; N431-Q435 WeakPolarHBondContact O-CG 3.33Å; N431-Q435 PolarHBondContact O-N 2.75Å | ||
| 432 | S | 93.2 | Very high | 91.3 | Very high | 40 Ų | 40 | 44 Ų | 44 | 28% | 0.28 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.3 | -28.4 | -177.7 | 66.8 | 0 | 0 | 0 | 0 | 113.8 | G430 K436 | G430-S432 PolarHBondContact O-N 3.49Å; G430-S432 VanDerWaalsContact O-N 3.16Å; S432-K436 VanDerWaalsContact O-CB 3.28Å; S432-K436 WeakPolarHBondContact O-CB 3.36Å; S432-K436 WeakPolarHBondContact O-CE 3.45Å; S432-K436 WeakPolarHBondContact O-CG 3.38Å; S432-K436 PolarHBondContact O-N 3.33Å |
| 433 | K | 95.2 | Very high | 92.3 | Very high | 117 Ų | 117 | 40 Ų | 40 | 51% | 0.509 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68 | -48.5 | 177.4 | -169 | -179.4 | 178.2 | 174.3 | 0 | 111.2 | I371 N431 K436 C437 | I371-K433 HydrophobicContact CG2-CD 4.44Å; N431-K433 PolarHBondContact O-N 2.9Å; N431-K433 VanDerWaalsContact O-N 3.13Å; N431-K433 WeakPolarHBondContact OD1-CB 3.45Å; N431-K433 PolarHBondContact OD1-N 2.96Å; N431-K433 VanDerWaalsContact OD1-N 3.15Å; K433-K436 PolarHBondContact O-N 3.36Å; K433-C437 PolarHBondContact O-N 3.48Å; K433-C437 PolarHBondContact O-SG 3.37Å; K433-C437 VanDerWaalsContact O-SG 3.35Å |
| 434 | V | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 177.7 | 178 | 0 | 0 | 0 | 0 | 110.7 | I371 I374 L378 L406 I428 N431 K436 C437 A438 | I371-V434 HydrophobicContact CB-CG2 4.46Å; I371-V434 HydrophobicContact CG1-CG2 4.48Å; I371-V434 HydrophobicContact CG2-CG2 3.97Å; I374-V434 HydrophobicContact CG2-CG1 3.81Å; L378-V434 HydrophobicContact CD1-CG1 4.42Å; L406-V434 HydrophobicContact CD2-CG1 4.23Å; I428-V434 HydrophobicContact CG2-CG2 4.32Å; N431-V434 HydrophobicContact CB-CB 4.35Å; N431-V434 HydrophobicContact CB-CG2 4.23Å; N431-V434 PolarHBondContact O-N 3.28Å; N431-V434 VanDerWaalsContact O-N 3.17Å; N431-V434 PolarHBondContact OD1-N 2.96Å; N431-V434 VanDerWaalsContact OD1-N 3.13Å; V434-K436 VanDerWaalsContact C-N 3.34Å; V434-K436 PolarHBondContact O-N 3.1Å; V434-C437 PolarHBondContact O-N 2.91Å; V434-A438 WeakPolarHBondContact O-CB 3.07Å; V434-A438 PolarHBondContact O-N 3.01Å |
| 435 | Q | 95.6 | Very high | 93.1 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 5% | 0.051 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.5 | -46.1 | 178.2 | -67.5 | 174.7 | -37.1 | 0 | 0 | 111.7 | C410 N431 A438 L439 Y465 V475 | C410-Q435 HydrophobicContact CB-CG 3.64Å; C410-Q435 PolarHBondContact O-NE2 3.39Å; N431-Q435 WeakPolarHBondContact O-CG 3.33Å; N431-Q435 PolarHBondContact O-N 2.75Å; Q435-A438 PolarHBondContact O-N 3.36Å; Q435-L439 VanDerWaalsContact O-CG 3.31Å; Q435-L439 WeakPolarHBondContact O-CG 3.42Å; Q435-L439 PolarHBondContact O-N 3.37Å; Q435-Y465 HydrophobicContact CB-CE1 4.17Å; Q435-Y465 HydrophobicContact CG-CE1 3.93Å; Q435-Y465 WeakPolarHBondContact CG-OH 3.28Å; Q435-Y465 PolarHBondContact NE2-OH 2.88Å; Q435-V475 HydrophobicContact CB-CG1 4.12Å; Q435-V475 HydrophobicContact CB-CG2 4.03Å |
| 436 | K | 95.4 | Very high | 93.3 | Very high | 60 Ų | 60 | 36.3 Ų | 36.3 | 26% | 0.261 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.5 | -47 | 177.4 | -77.1 | -171 | -79.3 | -157.3 | 0 | 112.7 | S432 K433 V434 A438 L439 E440 S474 V475 K478 | S432-K436 VanDerWaalsContact O-CB 3.28Å; S432-K436 WeakPolarHBondContact O-CB 3.36Å; S432-K436 WeakPolarHBondContact O-CE 3.45Å; S432-K436 WeakPolarHBondContact O-CG 3.38Å; S432-K436 PolarHBondContact O-N 3.33Å; K433-K436 PolarHBondContact O-N 3.36Å; V434-K436 VanDerWaalsContact C-N 3.34Å; V434-K436 PolarHBondContact O-N 3.1Å; K436-A438 VanDerWaalsContact C-N 3.25Å; K436-A438 PolarHBondContact O-N 3.17Å; K436-L439 PolarHBondContact O-N 3.26Å; K436-E440 WeakPolarHBondContact O-CG 3.38Å; K436-E440 PolarHBondContact O-N 3.03Å; K436-S474 WeakPolarHBondContact CD-OG 3.34Å; K436-S474 PolarHBondContact NZ-OG 3Å; K436-V475 HydrophobicContact CG-CG2 3.96Å; K436-K478 HydrophobicContact CB-CD 3.85Å; K436-K478 HydrophobicContact CD-CD 4.37Å; K436-K478 HydrophobicContact CG-CD 3.82Å |
| 437 | C | 96.6 | Very high | 93.2 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 10% | 0.101 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -36.5 | 176.7 | -68.4 | 0 | 0 | 0 | 0 | 111.6 | L378 K433 V434 E440 A441 | L378-C437 HydrophobicContact CB-CB 3.89Å; L378-C437 HydrophobicContact CD1-CB 3.78Å; K433-C437 PolarHBondContact O-N 3.48Å; K433-C437 PolarHBondContact O-SG 3.37Å; K433-C437 VanDerWaalsContact O-SG 3.35Å; V434-C437 PolarHBondContact O-N 2.91Å; C437-E440 PolarHBondContact O-N 2.95Å; C437-A441 WeakPolarHBondContact O-CB 3.46Å; C437-A441 PolarHBondContact O-N 2.98Å |
| 438 | A | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.4 | -41.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L378 I403 L406 L407 V434 Q435 K436 A441 L442 | L378-A438 HydrophobicContact CD1-CB 3.91Å; L378-A438 HydrophobicContact CD2-CB 4.31Å; I403-A438 HydrophobicContact CG2-CB 4.23Å; L406-A438 HydrophobicContact CD2-CB 4.43Å; L407-A438 HydrophobicContact CD2-CB 3.59Å; L407-A438 HydrophobicContact CG-CB 3.92Å; V434-A438 WeakPolarHBondContact O-CB 3.07Å; V434-A438 PolarHBondContact O-N 3.01Å; Q435-A438 PolarHBondContact O-N 3.36Å; K436-A438 VanDerWaalsContact C-N 3.25Å; K436-A438 PolarHBondContact O-N 3.17Å; A438-A441 PolarHBondContact O-N 3.01Å; A438-L442 WeakPolarHBondContact O-CB 3.45Å; A438-L442 PolarHBondContact O-N 3.47Å |
| 439 | L | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.1 | -37 | 173.8 | -69.4 | 168.1 | 0 | 0 | 0 | 112.2 | L407 Q435 K436 L442 L443 L462 V475 K478 | L407-L439 HydrophobicContact CD1-CD2 4.16Å; L407-L439 HydrophobicContact CD2-CD2 4.22Å; L407-L439 HydrophobicContact CD2-CG 4.08Å; Q435-L439 VanDerWaalsContact O-CG 3.31Å; Q435-L439 WeakPolarHBondContact O-CG 3.42Å; Q435-L439 PolarHBondContact O-N 3.37Å; K436-L439 PolarHBondContact O-N 3.26Å; L439-L442 HydrophobicContact CD2-CD2 4.45Å; L439-L442 PolarHBondContact O-N 3.16Å; L439-L443 WeakPolarHBondContact O-CB 3.39Å; L439-L443 WeakPolarHBondContact O-CG 3.39Å; L439-L443 PolarHBondContact O-N 3.46Å; L439-L462 HydrophobicContact CD2-CD2 3.61Å; L439-V475 HydrophobicContact CD1-CG1 3.83Å; L439-K478 HydrophobicContact CB-CB 3.98Å; L439-K478 HydrophobicContact CB-CD 4.48Å; L439-K478 HydrophobicContact CD1-CB 3.8Å |
| 440 | E | 95.4 | Very high | 91.2 | Very high | 82 Ų | 82 | 39.1 Ų | 39.1 | 38% | 0.383 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 172.2 | -77 | 175.2 | 177.4 | 0 | 0 | 112.4 | K436 C437 L442 L443 V444 K478 | K436-E440 WeakPolarHBondContact O-CG 3.38Å; K436-E440 PolarHBondContact O-N 3.03Å; C437-E440 PolarHBondContact O-N 2.95Å; E440-L442 VanDerWaalsContact C-N 3.35Å; E440-L443 WeakPolarHBondContact O-CB 3.18Å; E440-L443 PolarHBondContact O-N 3.41Å; E440-V444 PolarHBondContact O-N 3.44Å; E440-K478 HydrophobicContact CG-CD 4.01Å; E440-K478 WeakPolarHBondContact OE1-CE 3.46Å; E440-K478 IonicContact OE1-NZ 3.87Å; E440-K478 PolarHBondContact OE1-NZ 2.92Å |
| 441 | A | 95.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L378 I381 I403 C437 A438 L443 V444 L445 | L378-A441 HydrophobicContact CB-CB 4.49Å; L378-A441 HydrophobicContact CD2-CB 4.26Å; I381-A441 HydrophobicContact CB-CB 4.09Å; I381-A441 HydrophobicContact CD1-CB 3.85Å; I381-A441 HydrophobicContact CG1-CB 4.41Å; I381-A441 HydrophobicContact CG2-CB 4.22Å; I403-A441 HydrophobicContact CD1-CB 3.82Å; C437-A441 WeakPolarHBondContact O-CB 3.46Å; C437-A441 PolarHBondContact O-N 2.98Å; A438-A441 PolarHBondContact O-N 3.01Å; A441-L443 VanDerWaalsContact C-N 3.32Å; A441-L443 PolarHBondContact O-N 3.35Å; A441-V444 PolarHBondContact O-N 3.18Å; A441-L445 WeakPolarHBondContact O-CG 3.4Å; A441-L445 PolarHBondContact O-N 2.94Å |
| 442 | L | 94.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -40.9 | 176.5 | -170.7 | 66.4 | 0 | 0 | 0 | 111.7 | V400 I403 L404 L407 A438 L439 E440 V444 L445 S446 V458 L462 W486 | V400-L442 HydrophobicContact CG1-CD1 4.15Å; I403-L442 HydrophobicContact CG2-CB 4.27Å; I403-L442 HydrophobicContact CG2-CD1 4.44Å; L404-L442 HydrophobicContact CD2-CD1 4.14Å; L404-L442 HydrophobicContact CD2-CD2 4.23Å; L407-L442 HydrophobicContact CD1-CD2 4.03Å; A438-L442 WeakPolarHBondContact O-CB 3.45Å; A438-L442 PolarHBondContact O-N 3.47Å; L439-L442 HydrophobicContact CD2-CD2 4.45Å; L439-L442 PolarHBondContact O-N 3.16Å; E440-L442 VanDerWaalsContact C-N 3.35Å; L442-V444 VanDerWaalsContact C-N 3.32Å; L442-V444 PolarHBondContact O-N 3.25Å; L442-L445 PolarHBondContact O-N 2.95Å; L442-S446 PolarHBondContact O-N 3.13Å; L442-V458 HydrophobicContact CD1-CG2 4.24Å; L442-V458 HydrophobicContact CD2-CG1 4.22Å; L442-L462 HydrophobicContact CD2-CD2 4.36Å; L442-W486 HydrophobicContact CD1-CH2 4.44Å; L442-W486 HydrophobicContact CD1-CZ2 3.6Å; L442-W486 HydrophobicContact CG-CZ2 4.12Å; L442-W486 WeakPolarHBondContact O-CZ2 3.2Å; L442-W486 PolarHBondContact O-NE1 3.37Å |
| 443 | L | 92.6 | Very high | 88.8 | Confident | 31 Ų | 31 | 47.8 Ų | 47.8 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.3 | -45.4 | 173.8 | -88.4 | 164.1 | 0 | 0 | 0 | 112.1 | L439 E440 A441 S446 Q481 A482 K485 | L439-L443 WeakPolarHBondContact O-CB 3.39Å; L439-L443 WeakPolarHBondContact O-CG 3.39Å; L439-L443 PolarHBondContact O-N 3.46Å; E440-L443 WeakPolarHBondContact O-CB 3.18Å; E440-L443 PolarHBondContact O-N 3.41Å; A441-L443 VanDerWaalsContact C-N 3.32Å; A441-L443 PolarHBondContact O-N 3.35Å; L443-S446 WeakPolarHBondContact O-CB 3.32Å; L443-S446 PolarHBondContact O-N 3.4Å; L443-S446 PolarHBondContact O-OG 2.92Å; L443-Q481 HydrophobicContact CD1-CB 4.14Å; L443-Q481 HydrophobicContact CD2-CB 4.18Å; L443-Q481 WeakPolarHBondContact CD2-O 3.32Å; L443-A482 HydrophobicContact CD2-CB 4.33Å; L443-A482 HydrophobicContact CG-CB 4.18Å; L443-K485 HydrophobicContact CD2-CB 3.59Å; L443-K485 HydrophobicContact CD2-CG 4.07Å |
| 444 | V | 91.3 | Very high | 88.3 | Confident | 55 Ų | 55 | 43.1 Ų | 43.1 | 33% | 0.333 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70 | -39.5 | -179.2 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | P382 E440 A441 L442 S446 K447 | P382-V444 HydrophobicContact CB-CG1 3.9Å; P382-V444 HydrophobicContact CB-CG2 4.41Å; P382-V444 HydrophobicContact CG-CB 4.21Å; P382-V444 HydrophobicContact CG-CG1 4.07Å; P382-V444 HydrophobicContact CG-CG2 3.91Å; E440-V444 PolarHBondContact O-N 3.44Å; A441-V444 PolarHBondContact O-N 3.18Å; L442-V444 VanDerWaalsContact C-N 3.32Å; L442-V444 PolarHBondContact O-N 3.25Å; V444-S446 PolarHBondContact O-N 3.41Å; V444-K447 PolarHBondContact O-N 3.23Å |
| 445 | L | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.2 | -13.7 | 179 | -75.7 | 162 | 0 | 0 | 0 | 114.3 | I381 T385 I399 V400 I403 A441 L442 K447 S448 V451 W486 | I381-L445 HydrophobicContact CG2-CD1 3.92Å; I381-L445 HydrophobicContact CG2-CD2 4.25Å; I381-L445 HydrophobicContact CG2-CG 4.01Å; T385-L445 HydrophobicContact CG2-CD2 3.31Å; T385-L445 HydrophobicContact CG2-CG 4.16Å; I399-L445 HydrophobicContact CG2-CD1 4.14Å; V400-L445 HydrophobicContact CG2-CB 3.93Å; V400-L445 HydrophobicContact CG2-CD1 3.94Å; V400-L445 HydrophobicContact CG2-CD2 4.15Å; V400-L445 HydrophobicContact CG2-CG 4.25Å; I403-L445 HydrophobicContact CD1-CD1 3.17Å; A441-L445 WeakPolarHBondContact O-CG 3.4Å; A441-L445 PolarHBondContact O-N 2.94Å; L442-L445 PolarHBondContact O-N 2.95Å; L445-K447 PolarHBondContact O-N 3.13Å; L445-S448 WeakPolarHBondContact O-CB 3.19Å; L445-S448 PolarHBondContact O-N 3.39Å; L445-S448 PolarHBondContact O-OG 3.06Å; L445-V451 WeakPolarHBondContact O-CG1 3.42Å; L445-W486 HydrophobicContact CB-CZ2 4.27Å |
| 446 | S | 89.3 | Confident | 87.6 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -24 | 172.3 | 62.4 | 0 | 0 | 0 | 0 | 113.7 | L442 L443 V444 K485 V489 | L442-S446 PolarHBondContact O-N 3.13Å; L443-S446 WeakPolarHBondContact O-CB 3.32Å; L443-S446 PolarHBondContact O-N 3.4Å; L443-S446 PolarHBondContact O-OG 2.92Å; V444-S446 PolarHBondContact O-N 3.41Å; S446-K485 WeakPolarHBondContact OG-CG 3.43Å; S446-V489 WeakPolarHBondContact O-CG2 3.48Å |
| 447 | K | 85.8 | Confident | 87.4 | Confident | 162 Ų | 162 | 46 Ų | 46 | 70% | 0.704 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -4.4 | 179.7 | -62 | -178.9 | -179.9 | 179.3 | 0 | 114 | V444 L445 | V444-K447 PolarHBondContact O-N 3.23Å; L445-K447 PolarHBondContact O-N 3.13Å |
| 448 | S | 83.7 | Confident | 87.2 | Confident | 10 Ų | 10 | 45.2 Ų | 45.2 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -73.1 | 148.9 | -174.7 | -70 | 0 | 0 | 0 | 0 | 112.5 | Q396 L445 V451 | Q396-S448 PolarHBondContact OE1-OG 3.45Å; L445-S448 WeakPolarHBondContact O-CB 3.19Å; L445-S448 PolarHBondContact O-N 3.39Å; L445-S448 PolarHBondContact O-OG 3.06Å; S448-V451 VanDerWaalsContact O-CG1 3.32Å; S448-V451 WeakPolarHBondContact O-CG1 3.16Å; S448-V451 WeakPolarHBondContact O-CG2 3.23Å |
| 449 | P | 76.6 | Confident | 86.9 | Confident | 105 Ų | 105 | 45.3 Ų | 45.3 | 68% | 0.682 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 141.9 | 175.1 | 28.1 | -33.2 | 0 | 0 | 0 | 111.1 | Q396 V451 | Q396-P449 VanDerWaalsContact OE1-CD 3.31Å; P449-V451 VanDerWaalsContact C-N 3.34Å; P449-V451 PolarHBondContact O-N 3.24Å |
| 450 | G | 71.8 | Confident | 86.7 | Confident | 51 Ų | 51 | 50.5 Ų | 50.5 | 53% | 0.526 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 4.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K452 M453 | G450-K452 VanDerWaalsContact C-N 3.28Å; G450-K452 PolarHBondContact O-N 2.78Å; G450-M453 PolarHBondContact O-N 3.13Å |
| 451 | V | 71.4 | Confident | 86.6 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -72.7 | -14.8 | -177 | -64.2 | 0 | 0 | 0 | 0 | 115.2 | V400 L445 S448 P449 M453 V454 W486 | V400-V451 HydrophobicContact CG2-CG1 4.32Å; L445-V451 WeakPolarHBondContact O-CG1 3.42Å; S448-V451 VanDerWaalsContact O-CG1 3.32Å; S448-V451 WeakPolarHBondContact O-CG1 3.16Å; S448-V451 WeakPolarHBondContact O-CG2 3.23Å; P449-V451 VanDerWaalsContact C-N 3.34Å; P449-V451 PolarHBondContact O-N 3.24Å; V451-M453 PolarHBondContact O-N 3.24Å; V451-V454 HydrophobicContact CB-CG2 4.45Å; V451-V454 WeakPolarHBondContact O-CG2 3.39Å; V451-V454 PolarHBondContact O-N 2.92Å; V451-V454 VanDerWaalsContact O-N 3.13Å; V451-W486 HydrophobicContact CB-CH2 3.83Å; V451-W486 HydrophobicContact CB-CZ3 3.67Å; V451-W486 HydrophobicContact CG1-CH2 4.03Å; V451-W486 HydrophobicContact CG1-CZ3 4.39Å; V451-W486 HydrophobicContact CG2-CZ3 4.18Å |
| 452 | K | 73.8 | Confident | 86.6 | Confident | 131 Ų | 131 | 46.5 Ų | 46.5 | 57% | 0.57 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -56.3 | -32.9 | 173.3 | -65.3 | -173.1 | 178.8 | -174.4 | 0 | 112.3 | G450 V454 L455 | G450-K452 VanDerWaalsContact C-N 3.28Å; G450-K452 PolarHBondContact O-N 2.78Å; K452-V454 PolarHBondContact O-N 3.33Å; K452-L455 PolarHBondContact O-N 3.34Å |
| 453 | M | 79.3 | Confident | 86.5 | Confident | 161 Ų | 161 | 46.9 Ų | 46.9 | 79% | 0.793 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -70.2 | -16.9 | -177.6 | -60.2 | -55.9 | -62.5 | 0 | 0 | 113.8 | G450 V451 | G450-M453 PolarHBondContact O-N 3.13Å; V451-M453 PolarHBondContact O-N 3.24Å |
| 454 | V | 85.8 | Confident | 86.4 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -113.5 | 7.9 | -178.2 | -63.8 | 0 | 0 | 0 | 0 | 112.5 | V400 V451 K452 V456 E457 V458 W486 | V400-V454 HydrophobicContact CB-CG2 4.42Å; V400-V454 HydrophobicContact CG1-CB 4.5Å; V400-V454 HydrophobicContact CG1-CG2 3.75Å; V451-V454 HydrophobicContact CB-CG2 4.45Å; V451-V454 WeakPolarHBondContact O-CG2 3.39Å; V451-V454 PolarHBondContact O-N 2.92Å; V451-V454 VanDerWaalsContact O-N 3.13Å; K452-V454 PolarHBondContact O-N 3.33Å; V454-V456 VanDerWaalsContact C-N 3.29Å; V454-V456 PolarHBondContact O-N 3.26Å; V454-E457 WeakPolarHBondContact CA-OE2 3.37Å; V454-E457 PolarHBondContact O-N 3.22Å; V454-V458 VanDerWaalsContact O-CG2 3.31Å; V454-V458 WeakPolarHBondContact O-CG2 3.48Å; V454-V458 PolarHBondContact O-N 3.13Å; V454-W486 HydrophobicContact CG2-CH2 4.31Å; V454-W486 HydrophobicContact CG2-CZ3 4.16Å |
| 455 | L | 87.1 | Confident | 86.5 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.7 | -41.7 | -177 | -178.1 | 65.4 | 0 | 0 | 0 | 111.6 | K452 E457 V458 F459 W486 C490 L493 I496 | K452-L455 PolarHBondContact O-N 3.34Å; L455-E457 PolarHBondContact O-N 2.96Å; L455-V458 PolarHBondContact O-N 2.87Å; L455-F459 WeakPolarHBondContact O-CB 3.49Å; L455-F459 PolarHBondContact O-N 3.26Å; L455-W486 HydrophobicContact CD1-CB 4.21Å; L455-W486 HydrophobicContact CD1-CE3 4.17Å; L455-C490 HydrophobicContact CD2-CB 3.82Å; L455-L493 HydrophobicContact CD2-CD2 4.07Å; L455-I496 HydrophobicContact CD2-CD1 4.5Å |
| 456 | V | 89 | Confident | 86.6 | Confident | 46 Ų | 46 | 45.9 Ų | 45.9 | 28% | 0.279 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 179.7 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | V454 F459 K460 C495 L500 | V454-V456 VanDerWaalsContact C-N 3.29Å; V454-V456 PolarHBondContact O-N 3.26Å; V456-F459 PolarHBondContact O-N 3.31Å; V456-K460 WeakPolarHBondContact O-CB 3.31Å; V456-K460 PolarHBondContact O-N 3.16Å; V456-C495 HydrophobicContact CG2-CB 4.13Å; V456-C495 VanDerWaalsContact CG2-O 3.27Å; V456-C495 WeakPolarHBondContact CG2-O 3.42Å; V456-L500 HydrophobicContact CG1-CD2 4.18Å |
| 457 | E | 90.6 | Very high | 86.8 | Confident | 82 Ų | 82 | 48.4 Ų | 48.4 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.2 | -40.4 | 178.1 | -70.9 | 69 | -158 | 0 | 0 | 112.1 | L404 V454 L455 K460 V461 | L404-E457 HydrophobicContact CD1-CB 3.87Å; V454-E457 WeakPolarHBondContact CA-OE2 3.37Å; V454-E457 PolarHBondContact O-N 3.22Å; L455-E457 PolarHBondContact O-N 2.96Å; E457-K460 PolarHBondContact O-N 2.94Å; E457-V461 WeakPolarHBondContact O-CG2 3.49Å; E457-V461 PolarHBondContact O-N 2.95Å; E457-V461 VanDerWaalsContact O-N 3.07Å |
| 458 | V | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.9 | -51.3 | 173.6 | 170.4 | 0 | 0 | 0 | 0 | 109.8 | V400 L404 L442 V454 L455 K460 V461 L462 W486 | V400-V458 HydrophobicContact CG1-CG2 4.38Å; L404-V458 HydrophobicContact CD1-CG2 3.88Å; L404-V458 HydrophobicContact CD2-CB 4.44Å; L404-V458 HydrophobicContact CD2-CG2 4.01Å; L404-V458 HydrophobicContact CG-CG2 4.44Å; L442-V458 HydrophobicContact CD1-CG2 4.24Å; L442-V458 HydrophobicContact CD2-CG1 4.22Å; V454-V458 VanDerWaalsContact O-CG2 3.31Å; V454-V458 WeakPolarHBondContact O-CG2 3.48Å; V454-V458 PolarHBondContact O-N 3.13Å; L455-V458 PolarHBondContact O-N 2.87Å; V458-K460 VanDerWaalsContact C-N 3.3Å; V458-K460 PolarHBondContact O-N 3.34Å; V458-V461 PolarHBondContact O-N 3.01Å; V458-L462 HydrophobicContact CG1-CD1 3.66Å; V458-L462 HydrophobicContact CG1-CG 4.3Å; V458-L462 VanDerWaalsContact O-CG 3.31Å; V458-L462 WeakPolarHBondContact O-CG 3.47Å; V458-L462 PolarHBondContact O-N 3.16Å; V458-W486 HydrophobicContact CB-CD2 4.44Å; V458-W486 HydrophobicContact CB-CE3 4.31Å; V458-W486 HydrophobicContact CG1-CB 4.37Å; V458-W486 HydrophobicContact CG1-CD2 3.83Å; V458-W486 HydrophobicContact CG1-CE3 4.17Å; V458-W486 HydrophobicContact CG1-CG 3.89Å; V458-W486 HydrophobicContact CG2-CD2 4.15Å; V458-W486 HydrophobicContact CG2-CE3 3.88Å; V458-W486 HydrophobicContact CG2-CH2 3.88Å; V458-W486 HydrophobicContact CG2-CZ2 4.16Å; V458-W486 HydrophobicContact CG2-CZ3 3.72Å |
| 459 | F | 90.9 | Very high | 86.9 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.009 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.8 | -38.4 | -176.8 | -147.2 | -91.7 | 0 | 0 | 0 | 111.9 | L455 V456 L462 T463 V483 V487 I496 L500 F504 L550 | L455-F459 WeakPolarHBondContact O-CB 3.49Å; L455-F459 PolarHBondContact O-N 3.26Å; V456-F459 PolarHBondContact O-N 3.31Å; F459-L462 PolarHBondContact O-N 3.48Å; F459-T463 WeakPolarHBondContact O-CB 3.38Å; F459-T463 PolarHBondContact O-N 2.94Å; F459-T463 PolarHBondContact O-OG1 2.76Å; F459-V483 HydrophobicContact CE2-CG1 3.83Å; F459-V483 HydrophobicContact CZ-CG1 4.28Å; F459-V487 HydrophobicContact CD2-CG2 4.45Å; F459-V487 HydrophobicContact CE2-CG2 3.9Å; F459-I496 HydrophobicContact CD1-CG2 4.37Å; F459-I496 HydrophobicContact CD2-CD1 4.01Å; F459-I496 HydrophobicContact CE2-CD1 4.24Å; F459-I496 HydrophobicContact CG-CD1 4.17Å; F459-L500 HydrophobicContact CB-CD2 4.11Å; F459-L500 HydrophobicContact CD1-CD1 4.41Å; F459-L500 HydrophobicContact CD1-CD2 4.12Å; F459-L500 HydrophobicContact CD1-CG 3.95Å; F459-F504 HydrophobicContact CE1-CB 3.73Å; F459-F504 HydrophobicContact CE1-CD1 4.06Å; F459-F504 AromaticContact CE1-CD2 3.74Å; F459-F504 HydrophobicContact CE1-CD2 3.74Å; F459-F504 HydrophobicContact CE1-CE2 4.36Å; F459-F504 AromaticContact CE1-CG 3.57Å; F459-F504 HydrophobicContact CE1-CG 3.57Å; F459-F504 HydrophobicContact CZ-CB 4.43Å; F459-F504 AromaticContact CZ-CD1 3.9Å; F459-F504 HydrophobicContact CZ-CD1 3.9Å; F459-F504 AromaticContact CZ-CD2 3.92Å; F459-F504 HydrophobicContact CZ-CD2 3.92Å; F459-F504 HydrophobicContact CZ-CE1 4.11Å; F459-F504 HydrophobicContact CZ-CE2 4.11Å; F459-F504 AromaticContact CZ-CG 3.82Å; F459-F504 HydrophobicContact CZ-CG 3.82Å; F459-F504 HydrophobicContact CZ-CZ 4.22Å; F459-L550 HydrophobicContact CD2-CD1 4.39Å; F459-L550 HydrophobicContact CE1-CD1 4.05Å; F459-L550 HydrophobicContact CE2-CD1 3.38Å; F459-L550 HydrophobicContact CE2-CD2 3.9Å; F459-L550 HydrophobicContact CE2-CG 4.1Å; F459-L550 HydrophobicContact CZ-CD1 3.18Å; F459-L550 HydrophobicContact CZ-CD2 3.8Å; F459-L550 HydrophobicContact CZ-CG 3.71Å |
| 460 | K | 92.5 | Very high | 87.2 | Confident | 108 Ų | 108 | 45.7 Ų | 45.7 | 47% | 0.47 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.7 | -51.2 | 172.8 | -176.6 | 177.4 | 177.5 | 178.9 | 0 | 112.2 | V456 E457 V458 L462 T463 E464 L500 | V456-K460 WeakPolarHBondContact O-CB 3.31Å; V456-K460 PolarHBondContact O-N 3.16Å; E457-K460 PolarHBondContact O-N 2.94Å; V458-K460 VanDerWaalsContact C-N 3.3Å; V458-K460 PolarHBondContact O-N 3.34Å; K460-L462 PolarHBondContact O-N 3.08Å; K460-T463 PolarHBondContact O-N 2.86Å; K460-E464 WeakPolarHBondContact CE-OE1 3.41Å; K460-E464 WeakPolarHBondContact O-CG 3.26Å; K460-E464 PolarHBondContact O-N 2.81Å; K460-L500 HydrophobicContact CB-CD1 4.37Å |
| 461 | V | 94.1 | Very high | 88 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 179.4 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | L404 L407 R408 E457 V458 T463 E464 Y465 | L404-V461 HydrophobicContact CB-CG2 4.44Å; L404-V461 HydrophobicContact CD2-CB 4.14Å; L404-V461 HydrophobicContact CD2-CG1 4.45Å; L404-V461 HydrophobicContact CD2-CG2 4.06Å; L407-V461 HydrophobicContact CB-CG1 3.77Å; L407-V461 HydrophobicContact CD1-CG1 4.1Å; R408-V461 HydrophobicContact CG-CG2 3.92Å; R408-V461 VanDerWaalsContact CZ-CG2 3.46Å; R408-V461 VanDerWaalsContact NH2-CG2 3.34Å; E457-V461 WeakPolarHBondContact O-CG2 3.49Å; E457-V461 PolarHBondContact O-N 2.95Å; E457-V461 VanDerWaalsContact O-N 3.07Å; V458-V461 PolarHBondContact O-N 3.01Å; V461-T463 VanDerWaalsContact C-N 3.29Å; V461-T463 PolarHBondContact O-N 2.78Å; V461-E464 WeakPolarHBondContact O-CB 3.29Å; V461-E464 PolarHBondContact O-N 3.46Å; V461-E464 VanDerWaalsContact O-N 3.16Å; V461-Y465 HydrophobicContact CG1-CD2 3.97Å; V461-Y465 HydrophobicContact CG1-CE2 3.96Å; V461-Y465 WeakPolarHBondContact O-CD2 3.36Å; V461-Y465 PolarHBondContact O-N 2.79Å |
| 462 | L | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 178.7 | -65.3 | 173.6 | 0 | 0 | 0 | 111.4 | L439 L442 V458 F459 K460 Y465 L466 A482 V483 | L439-L462 HydrophobicContact CD2-CD2 3.61Å; L442-L462 HydrophobicContact CD2-CD2 4.36Å; V458-L462 HydrophobicContact CG1-CD1 3.66Å; V458-L462 HydrophobicContact CG1-CG 4.3Å; V458-L462 VanDerWaalsContact O-CG 3.31Å; V458-L462 WeakPolarHBondContact O-CG 3.47Å; V458-L462 PolarHBondContact O-N 3.16Å; F459-L462 PolarHBondContact O-N 3.48Å; K460-L462 PolarHBondContact O-N 3.08Å; L462-Y465 PolarHBondContact O-N 3.21Å; L462-L466 WeakPolarHBondContact O-CG 3.17Å; L462-L466 PolarHBondContact O-N 3.22Å; L462-A482 HydrophobicContact CD1-CB 3.91Å; L462-A482 HydrophobicContact CD2-CB 3.86Å; L462-V483 HydrophobicContact CB-CG2 3.96Å; L462-V483 HydrophobicContact CD1-CB 4.46Å; L462-V483 HydrophobicContact CD1-CG2 3.62Å; L462-V483 HydrophobicContact CG-CG2 4.35Å |
| 463 | T | 92.9 | Very high | 89.9 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -39.7 | 174.2 | -56 | 0 | 0 | 0 | 0 | 112.1 | F459 K460 V461 L466 N467 F504 | F459-T463 WeakPolarHBondContact O-CB 3.38Å; F459-T463 PolarHBondContact O-N 2.94Å; F459-T463 PolarHBondContact O-OG1 2.76Å; K460-T463 PolarHBondContact O-N 2.86Å; V461-T463 VanDerWaalsContact C-N 3.29Å; V461-T463 PolarHBondContact O-N 2.78Å; T463-L466 PolarHBondContact O-N 3.31Å; T463-N467 WeakPolarHBondContact O-CB 3.22Å; T463-N467 PolarHBondContact O-N 3.24Å; T463-N467 PolarHBondContact O-ND2 3.23Å; T463-N467 VanDerWaalsContact O-ND2 3.11Å; T463-F504 HydrophobicContact CG2-CB 4.31Å; T463-F504 WeakPolarHBondContact OG1-CD2 3.44Å |
| 464 | E | 92.3 | Very high | 90.7 | Very high | 65 Ų | 65 | 34.5 Ų | 34.5 | 30% | 0.304 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 174.1 | -71.1 | 164.8 | -173.6 | 0 | 0 | 111.3 | K460 V461 L466 N467 S468 | K460-E464 WeakPolarHBondContact CE-OE1 3.41Å; K460-E464 WeakPolarHBondContact O-CG 3.26Å; K460-E464 PolarHBondContact O-N 2.81Å; V461-E464 WeakPolarHBondContact O-CB 3.29Å; V461-E464 PolarHBondContact O-N 3.46Å; V461-E464 VanDerWaalsContact O-N 3.16Å; E464-L466 PolarHBondContact O-N 3.3Å; E464-N467 PolarHBondContact O-N 3.1Å; E464-N467 VanDerWaalsContact O-N 3.15Å; E464-S468 PolarHBondContact O-N 2.93Å |
| 465 | Y | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 176.8 | -91.6 | -101.7 | 0 | 0 | 0 | 113 | L407 C410 C411 Q435 V461 L462 N467 S468 S471 V475 L476 | L407-Y465 HydrophobicContact CB-CE2 3.93Å; L407-Y465 HydrophobicContact CD2-CE1 4.47Å; L407-Y465 HydrophobicContact CD2-CE2 4.14Å; L407-Y465 WeakPolarHBondContact O-CE2 3.36Å; L407-Y465 PolarHBondContact O-OH 3.41Å; C410-Y465 WeakPolarHBondContact CB-OH 3.32Å; C411-Y465 WeakPolarHBondContact SG-CE2 3.48Å; C411-Y465 VanDerWaalsContact SG-CZ 3.52Å; Q435-Y465 HydrophobicContact CB-CE1 4.17Å; Q435-Y465 HydrophobicContact CG-CE1 3.93Å; Q435-Y465 WeakPolarHBondContact CG-OH 3.28Å; Q435-Y465 PolarHBondContact NE2-OH 2.88Å; V461-Y465 HydrophobicContact CG1-CD2 3.97Å; V461-Y465 HydrophobicContact CG1-CE2 3.96Å; V461-Y465 WeakPolarHBondContact O-CD2 3.36Å; V461-Y465 PolarHBondContact O-N 2.79Å; L462-Y465 PolarHBondContact O-N 3.21Å; Y465-N467 VanDerWaalsContact C-N 3.27Å; Y465-N467 PolarHBondContact O-N 3.45Å; Y465-S468 PolarHBondContact O-N 3.46Å; Y465-S471 PolarHBondContact O-OG 3.22Å; Y465-V475 HydrophobicContact CD1-CG1 3.51Å; Y465-V475 HydrophobicContact CE1-CG1 3.68Å; Y465-L476 WeakPolarHBondContact O-CD2 3.39Å |
| 466 | L | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.4 | -29.8 | 175.9 | -66.9 | -176.8 | 0 | 0 | 0 | 111.7 | L462 T463 E464 L476 Y480 F504 A507 V508 R511 | L462-L466 WeakPolarHBondContact O-CG 3.17Å; L462-L466 PolarHBondContact O-N 3.22Å; T463-L466 PolarHBondContact O-N 3.31Å; E464-L466 PolarHBondContact O-N 3.3Å; L466-L476 HydrophobicContact CD2-CD2 3.85Å; L466-Y480 HydrophobicContact CD1-CD1 4.1Å; L466-Y480 HydrophobicContact CD1-CE1 3.48Å; L466-Y480 VanDerWaalsContact CD1-CE1 3.48Å; L466-Y480 HydrophobicContact CD2-CD1 4.11Å; L466-Y480 HydrophobicContact CD2-CD2 4.34Å; L466-Y480 HydrophobicContact CD2-CE1 3.61Å; L466-Y480 HydrophobicContact CD2-CE2 3.87Å; L466-Y480 HydrophobicContact CD2-CG 4.45Å; L466-Y480 VanDerWaalsContact CD2-CZ 3.46Å; L466-Y480 HydrophobicContact CG-CE1 4.2Å; L466-F504 HydrophobicContact CD1-CD2 3.91Å; L466-F504 HydrophobicContact CD1-CE2 3.28Å; L466-F504 HydrophobicContact CD1-CZ 3.96Å; L466-A507 HydrophobicContact CB-CB 3.73Å; L466-V508 HydrophobicContact CD1-CG2 4.47Å; L466-R511 PolarHBondContact O-NE 3.32Å; L466-R511 PolarHBondContact O-NH2 3.44Å |
| 467 | N | 91.6 | Very high | 91.8 | Very high | 55 Ų | 55 | 34.7 Ų | 34.7 | 29% | 0.294 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -81.4 | -25.7 | 178.2 | -82.1 | -48 | 0 | 0 | 0 | 114.3 | T463 E464 Y465 H469 A507 K510 | T463-N467 WeakPolarHBondContact O-CB 3.22Å; T463-N467 PolarHBondContact O-N 3.24Å; T463-N467 PolarHBondContact O-ND2 3.23Å; T463-N467 VanDerWaalsContact O-ND2 3.11Å; E464-N467 PolarHBondContact O-N 3.1Å; E464-N467 VanDerWaalsContact O-N 3.15Å; Y465-N467 VanDerWaalsContact C-N 3.27Å; Y465-N467 PolarHBondContact O-N 3.45Å; N467-H469 PolarHBondContact O-N 3.04Å; N467-A507 WeakPolarHBondContact OD1-CA 3.47Å; N467-A507 VanDerWaalsContact OD1-CB 3.27Å; N467-A507 WeakPolarHBondContact OD1-CB 3.36Å; N467-K510 PolarHBondContact O-NZ 3.03Å |
| 468 | S | 89.1 | Confident | 92.1 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | trans | -71 | 119.3 | -173.6 | -174.6 | 0 | 0 | 0 | 0 | 114 | D413 E464 Y465 S470 S471 R511 | D413-S468 WeakPolarHBondContact OD2-CB 3.42Å; D413-S468 PolarHBondContact OD2-OG 3.4Å; E464-S468 PolarHBondContact O-N 2.93Å; Y465-S468 PolarHBondContact O-N 3.46Å; S468-S470 PolarHBondContact O-N 3.37Å; S468-S470 PolarHBondContact OG-OG 3.21Å; S468-S471 PolarHBondContact O-N 2.95Å; S468-S471 VanDerWaalsContact O-N 3.15Å; S468-S471 PolarHBondContact O-OG 2.94Å; S468-R511 VanDerWaalsContact C-NH2 3.31Å; S468-R511 PolarHBondContact O-NH2 3.42Å | ||
| 469 | H | 82.4 | Confident | 92.3 | Very high | 142 Ų | 142 | 32.4 Ų | 32.4 | 66% | 0.657 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.9 | -176.3 | -55.6 | 89.4 | 0 | 0 | 0 | 114.1 | N467 K510 | N467-H469 PolarHBondContact O-N 3.04Å; H469-K510 PolarHBondContact CD2-NZ 2.95Å; H469-K510 PolarHBondContact CE1-NZ 3.46Å; H469-K510 VanDerWaalsContact CE1-NZ 3.31Å; H469-K510 PolarHBondContact NE2-NZ 3.1Å |
| 470 | S | 82.7 | Confident | 92.5 | Very high | 71 Ų | 71 | 32.5 Ų | 32.5 | 50% | 0.497 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -6.1 | -176.8 | 63 | 0 | 0 | 0 | 0 | 114.3 | S468 D472 | S468-S470 PolarHBondContact O-N 3.37Å; S468-S470 PolarHBondContact OG-OG 3.21Å; S470-D472 PolarHBondContact O-N 3.39Å |
| 471 | S | 89.4 | Confident | 92.5 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | trans | -59.2 | 124.6 | 179.1 | -68.2 | 0 | 0 | 0 | 0 | 111.9 | Y465 S468 R516 | Y465-S471 PolarHBondContact O-OG 3.22Å; S468-S471 PolarHBondContact O-N 2.95Å; S468-S471 VanDerWaalsContact O-N 3.15Å; S468-S471 PolarHBondContact O-OG 2.94Å; S471-R516 PolarHBondContact O-NH1 3.24Å; S471-R516 PolarHBondContact O-NH2 3.49Å; S471-R516 VanDerWaalsContact O-NH2 3.15Å | ||
| 472 | D | 92.3 | Very high | 92.5 | Very high | 60 Ų | 60 | 31.2 Ų | 31.2 | 32% | 0.321 | 16% | 0.164 | S | C | . | . | trans | -61.6 | 142.4 | 172.1 | 178.8 | -90.1 | 0 | 0 | 0 | 111 | S470 S474 V475 L476 | S470-D472 PolarHBondContact O-N 3.39Å; D472-S474 PolarHBondContact O-N 3.47Å; D472-S474 WeakPolarHBondContact OD1-CA 3.31Å; D472-S474 VanDerWaalsContact OD1-CB 3.29Å; D472-S474 WeakPolarHBondContact OD1-CB 3.38Å; D472-S474 PolarHBondContact OD1-N 3.12Å; D472-S474 PolarHBondContact OD1-OG 2.51Å; D472-V475 HydrophobicContact CB-CB 4.37Å; D472-V475 HydrophobicContact CB-CG2 3.98Å; D472-V475 WeakPolarHBondContact O-CA 3.45Å; D472-V475 WeakPolarHBondContact O-CB 3.45Å; D472-V475 PolarHBondContact O-N 2.89Å; D472-L476 PolarHBondContact O-N 3.21Å | ||
| 473 | P | 93.9 | Very high | 92.4 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 12% | 0.123 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.2 | -36 | -178 | -25.3 | 35.7 | 0 | 0 | 0 | 113.7 | V475 L476 Q477 R516 E518 A519 | P473-V475 VanDerWaalsContact C-N 3.28Å; P473-V475 PolarHBondContact O-N 2.95Å; P473-L476 WeakPolarHBondContact O-CB 3.35Å; P473-L476 PolarHBondContact O-N 3.05Å; P473-Q477 PolarHBondContact O-N 2.73Å; P473-R516 HydrophobicContact CG-CB 4.49Å; P473-E518 HydrophobicContact CB-CB 3.61Å; P473-E518 HydrophobicContact CG-CB 4.22Å; P473-A519 HydrophobicContact CB-CB 4.5Å |
| 474 | S | 94.5 | Very high | 92.1 | Very high | 34 Ų | 34 | 33.1 Ų | 33.1 | 24% | 0.238 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.9 | -24.1 | 177.5 | 71.6 | 0 | 0 | 0 | 0 | 113 | K436 D472 K478 | K436-S474 WeakPolarHBondContact CD-OG 3.34Å; K436-S474 PolarHBondContact NZ-OG 3Å; D472-S474 PolarHBondContact O-N 3.47Å; D472-S474 WeakPolarHBondContact OD1-CA 3.31Å; D472-S474 VanDerWaalsContact OD1-CB 3.29Å; D472-S474 WeakPolarHBondContact OD1-CB 3.38Å; D472-S474 PolarHBondContact OD1-N 3.12Å; D472-S474 PolarHBondContact OD1-OG 2.51Å; S474-K478 WeakPolarHBondContact O-CG 3.43Å; S474-K478 PolarHBondContact O-N 3.17Å |
| 475 | V | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -74.2 | -43.4 | 170.7 | 176.3 | 0 | 0 | 0 | 0 | 109.9 | Q435 K436 L439 Y465 D472 P473 Q477 K478 S479 | Q435-V475 HydrophobicContact CB-CG1 4.12Å; Q435-V475 HydrophobicContact CB-CG2 4.03Å; K436-V475 HydrophobicContact CG-CG2 3.96Å; L439-V475 HydrophobicContact CD1-CG1 3.83Å; Y465-V475 HydrophobicContact CD1-CG1 3.51Å; Y465-V475 HydrophobicContact CE1-CG1 3.68Å; D472-V475 HydrophobicContact CB-CB 4.37Å; D472-V475 HydrophobicContact CB-CG2 3.98Å; D472-V475 WeakPolarHBondContact O-CA 3.45Å; D472-V475 WeakPolarHBondContact O-CB 3.45Å; D472-V475 PolarHBondContact O-N 2.89Å; P473-V475 VanDerWaalsContact C-N 3.28Å; P473-V475 PolarHBondContact O-N 2.95Å; V475-Q477 PolarHBondContact O-N 3.15Å; V475-K478 PolarHBondContact O-N 3.46Å; V475-S479 PolarHBondContact O-N 3.13Å; V475-S479 PolarHBondContact O-OG 2.9Å; V475-S479 VanDerWaalsContact O-OG 3.13Å |
| 476 | L | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.6 | -46.6 | 175.6 | -65.8 | 174.4 | 0 | 0 | 0 | 111.7 | Y465 L466 D472 P473 K478 S479 Y480 A519 | Y465-L476 WeakPolarHBondContact O-CD2 3.39Å; L466-L476 HydrophobicContact CD2-CD2 3.85Å; D472-L476 PolarHBondContact O-N 3.21Å; P473-L476 WeakPolarHBondContact O-CB 3.35Å; P473-L476 PolarHBondContact O-N 3.05Å; L476-K478 VanDerWaalsContact C-N 3.31Å; L476-K478 PolarHBondContact O-N 2.95Å; L476-S479 WeakPolarHBondContact O-CB 3.5Å; L476-S479 PolarHBondContact O-N 2.97Å; L476-S479 VanDerWaalsContact O-N 3.12Å; L476-Y480 VanDerWaalsContact O-CD2 3.26Å; L476-Y480 WeakPolarHBondContact O-CD2 3.45Å; L476-Y480 PolarHBondContact O-N 3.13Å; L476-A519 HydrophobicContact CD1-CB 3.81Å |
| 477 | Q | 95.4 | Very high | 91.1 | Very high | 70 Ų | 70 | 34.3 Ų | 34.3 | 33% | 0.327 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -55.3 | -46.2 | 175.9 | -167.9 | -174.4 | 29.4 | 0 | 0 | 111.8 | P473 V475 Y480 Q481 S522 | P473-Q477 PolarHBondContact O-N 2.73Å; V475-Q477 PolarHBondContact O-N 3.15Å; Q477-Y480 PolarHBondContact O-N 2.98Å; Q477-Q481 WeakPolarHBondContact O-CG 3.3Å; Q477-Q481 PolarHBondContact O-N 2.66Å; Q477-S522 WeakPolarHBondContact CB-OG 3.34Å |
| 478 | K | 95.7 | Very high | 90.5 | Very high | 34 Ų | 34 | 34.5 Ų | 34.5 | 15% | 0.148 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.2 | -34.1 | 177.4 | -74.2 | -165.2 | -175.9 | -65.5 | 0 | 113.2 | K436 L439 E440 S474 V475 L476 Y480 Q481 A482 | K436-K478 HydrophobicContact CB-CD 3.85Å; K436-K478 HydrophobicContact CD-CD 4.37Å; K436-K478 HydrophobicContact CG-CD 3.82Å; L439-K478 HydrophobicContact CB-CB 3.98Å; L439-K478 HydrophobicContact CB-CD 4.48Å; L439-K478 HydrophobicContact CD1-CB 3.8Å; E440-K478 HydrophobicContact CG-CD 4.01Å; E440-K478 WeakPolarHBondContact OE1-CE 3.46Å; E440-K478 IonicContact OE1-NZ 3.87Å; E440-K478 PolarHBondContact OE1-NZ 2.92Å; S474-K478 WeakPolarHBondContact O-CG 3.43Å; S474-K478 PolarHBondContact O-N 3.17Å; V475-K478 PolarHBondContact O-N 3.46Å; L476-K478 VanDerWaalsContact C-N 3.31Å; L476-K478 PolarHBondContact O-N 2.95Å; K478-Y480 VanDerWaalsContact C-N 3.33Å; K478-Q481 PolarHBondContact O-N 3.44Å; K478-A482 WeakPolarHBondContact O-CB 3.1Å; K478-A482 PolarHBondContact O-N 2.91Å |
| 479 | S | 96.1 | Very high | 90 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 173.3 | -64.4 | 0 | 0 | 0 | 0 | 111 | V475 L476 A482 V483 | V475-S479 PolarHBondContact O-N 3.13Å; V475-S479 PolarHBondContact O-OG 2.9Å; V475-S479 VanDerWaalsContact O-OG 3.13Å; L476-S479 WeakPolarHBondContact O-CB 3.5Å; L476-S479 PolarHBondContact O-N 2.97Å; L476-S479 VanDerWaalsContact O-N 3.12Å; S479-A482 WeakPolarHBondContact O-CB 3.45Å; S479-A482 PolarHBondContact O-N 3.26Å; S479-V483 WeakPolarHBondContact O-CG2 3.04Å; S479-V483 PolarHBondContact O-N 3.35Å |
| 480 | Y | 94.7 | Very high | 89.6 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 2% | 0.02 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 174.7 | -74.1 | -51.2 | 0 | 0 | 0 | 113.1 | L466 L476 Q477 K478 A482 V483 I484 V508 R511 T523 F526 | L466-Y480 HydrophobicContact CD1-CD1 4.1Å; L466-Y480 HydrophobicContact CD1-CE1 3.48Å; L466-Y480 VanDerWaalsContact CD1-CE1 3.48Å; L466-Y480 HydrophobicContact CD2-CD1 4.11Å; L466-Y480 HydrophobicContact CD2-CD2 4.34Å; L466-Y480 HydrophobicContact CD2-CE1 3.61Å; L466-Y480 HydrophobicContact CD2-CE2 3.87Å; L466-Y480 HydrophobicContact CD2-CG 4.45Å; L466-Y480 VanDerWaalsContact CD2-CZ 3.46Å; L466-Y480 HydrophobicContact CG-CE1 4.2Å; L476-Y480 VanDerWaalsContact O-CD2 3.26Å; L476-Y480 WeakPolarHBondContact O-CD2 3.45Å; L476-Y480 PolarHBondContact O-N 3.13Å; Q477-Y480 PolarHBondContact O-N 2.98Å; K478-Y480 VanDerWaalsContact C-N 3.33Å; Y480-A482 VanDerWaalsContact C-N 3.28Å; Y480-A482 PolarHBondContact O-N 3.06Å; Y480-V483 WeakPolarHBondContact O-CB 3.4Å; Y480-V483 PolarHBondContact O-N 3.38Å; Y480-I484 PolarHBondContact O-N 3.4Å; Y480-V508 HydrophobicContact CE1-CG2 4.14Å; Y480-R511 WeakPolarHBondContact OH-CB 3.43Å; Y480-T523 WeakPolarHBondContact CE2-OG1 3.5Å; Y480-T523 PolarHBondContact OH-OG1 3.15Å; Y480-F526 HydrophobicContact CD1-CB 3.78Å; Y480-F526 AromaticContact CD1-CD1 3.37Å; Y480-F526 HydrophobicContact CD1-CD1 3.37Å; Y480-F526 AromaticContact CD1-CD2 3.51Å; Y480-F526 HydrophobicContact CD1-CD2 3.51Å; Y480-F526 AromaticContact CD1-CE1 3.72Å; Y480-F526 HydrophobicContact CD1-CE1 3.72Å; Y480-F526 AromaticContact CD1-CE2 3.85Å; Y480-F526 HydrophobicContact CD1-CE2 3.85Å; Y480-F526 AromaticContact CD1-CG 3.24Å; Y480-F526 HydrophobicContact CD1-CG 3.24Å; Y480-F526 AromaticContact CD1-CZ 3.94Å; Y480-F526 HydrophobicContact CD1-CZ 3.94Å; Y480-F526 HydrophobicContact CD2-CB 4.14Å; Y480-F526 HydrophobicContact CD2-CG 4.49Å; Y480-F526 HydrophobicContact CE1-CB 4.39Å; Y480-F526 AromaticContact CE1-CD1 3.53Å; Y480-F526 HydrophobicContact CE1-CD1 3.53Å; Y480-F526 HydrophobicContact CE1-CD2 4.47Å; Y480-F526 AromaticContact CE1-CE1 3.81Å; Y480-F526 HydrophobicContact CE1-CE1 3.81Å; Y480-F526 AromaticContact CE1-CG 3.88Å; Y480-F526 HydrophobicContact CE1-CG 3.88Å; Y480-F526 HydrophobicContact CE1-CZ 4.39Å; Y480-F526 HydrophobicContact CG-CB 3.65Å; Y480-F526 HydrophobicContact CG-CD1 4.16Å; Y480-F526 AromaticContact CG-CD2 3.86Å; Y480-F526 HydrophobicContact CG-CD2 3.86Å; Y480-F526 AromaticContact CG-CG 3.62Å; Y480-F526 HydrophobicContact CG-CG 3.62Å |
| 481 | Q | 93.9 | Very high | 88.8 | Confident | 81 Ų | 81 | 32.4 Ų | 32.4 | 38% | 0.379 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 174.1 | -70.2 | 173.3 | -3.1 | 0 | 0 | 111.2 | L443 Q477 K478 I484 K485 | L443-Q481 HydrophobicContact CD1-CB 4.14Å; L443-Q481 HydrophobicContact CD2-CB 4.18Å; L443-Q481 WeakPolarHBondContact CD2-O 3.32Å; Q477-Q481 WeakPolarHBondContact O-CG 3.3Å; Q477-Q481 PolarHBondContact O-N 2.66Å; K478-Q481 PolarHBondContact O-N 3.44Å; Q481-I484 PolarHBondContact O-N 3.04Å; Q481-K485 WeakPolarHBondContact O-CB 3.44Å; Q481-K485 PolarHBondContact O-N 2.84Å |
| 482 | A | 93.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L443 L462 K478 S479 Y480 I484 K485 W486 | L443-A482 HydrophobicContact CD2-CB 4.33Å; L443-A482 HydrophobicContact CG-CB 4.18Å; L462-A482 HydrophobicContact CD1-CB 3.91Å; L462-A482 HydrophobicContact CD2-CB 3.86Å; K478-A482 WeakPolarHBondContact O-CB 3.1Å; K478-A482 PolarHBondContact O-N 2.91Å; S479-A482 WeakPolarHBondContact O-CB 3.45Å; S479-A482 PolarHBondContact O-N 3.26Å; Y480-A482 VanDerWaalsContact C-N 3.28Å; Y480-A482 PolarHBondContact O-N 3.06Å; A482-I484 PolarHBondContact O-N 2.8Å; A482-K485 PolarHBondContact O-N 2.87Å; A482-W486 WeakPolarHBondContact O-CB 3.49Å; A482-W486 PolarHBondContact O-N 3.43Å |
| 483 | V | 91.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.9 | -53.9 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | F459 L462 S479 Y480 K485 W486 V487 F504 F526 L550 | F459-V483 HydrophobicContact CE2-CG1 3.83Å; F459-V483 HydrophobicContact CZ-CG1 4.28Å; L462-V483 HydrophobicContact CB-CG2 3.96Å; L462-V483 HydrophobicContact CD1-CB 4.46Å; L462-V483 HydrophobicContact CD1-CG2 3.62Å; L462-V483 HydrophobicContact CG-CG2 4.35Å; S479-V483 WeakPolarHBondContact O-CG2 3.04Å; S479-V483 PolarHBondContact O-N 3.35Å; Y480-V483 WeakPolarHBondContact O-CB 3.4Å; Y480-V483 PolarHBondContact O-N 3.38Å; V483-K485 PolarHBondContact O-N 3.29Å; V483-W486 PolarHBondContact O-N 3.35Å; V483-V487 HydrophobicContact CG1-CG2 4.27Å; V483-V487 WeakPolarHBondContact O-CB 3.32Å; V483-V487 VanDerWaalsContact O-CG2 3.3Å; V483-V487 WeakPolarHBondContact O-CG2 3.25Å; V483-V487 PolarHBondContact O-N 3.35Å; V483-F504 HydrophobicContact CB-CZ 4.47Å; V483-F504 HydrophobicContact CG1-CE2 4.42Å; V483-F504 HydrophobicContact CG1-CZ 3.88Å; V483-F504 HydrophobicContact CG2-CE2 3.83Å; V483-F504 HydrophobicContact CG2-CZ 4.01Å; V483-F526 HydrophobicContact CB-CE2 4.02Å; V483-F526 HydrophobicContact CB-CZ 4.46Å; V483-F526 HydrophobicContact CG1-CE2 3.78Å; V483-F526 HydrophobicContact CG1-CZ 3.91Å; V483-L550 HydrophobicContact CG1-CD2 3.77Å |
| 484 | I | 87.6 | Confident | 86.5 | Confident | 48 Ų | 48 | 37.1 Ų | 37.1 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.2 | -45.4 | -179.4 | -68 | 164.3 | 0 | 0 | 0 | 110.4 | Y480 Q481 A482 G488 F526 H529 L530 | Y480-I484 PolarHBondContact O-N 3.4Å; Q481-I484 PolarHBondContact O-N 3.04Å; A482-I484 PolarHBondContact O-N 2.8Å; I484-G488 PolarHBondContact O-N 2.76Å; I484-F526 HydrophobicContact CD1-CD2 3.74Å; I484-F526 HydrophobicContact CD1-CE2 4.31Å; I484-F526 HydrophobicContact CG1-CD2 3.75Å; I484-F526 HydrophobicContact CG1-CE2 3.79Å; I484-H529 HydrophobicContact CD1-CB 3.52Å; I484-H529 HydrophobicContact CG1-CB 4.46Å; I484-L530 HydrophobicContact CG1-CD2 4.38Å |
| 485 | K | 88.6 | Confident | 85.8 | Confident | 82 Ų | 82 | 38.3 Ų | 38.3 | 36% | 0.357 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.2 | -43.5 | -175 | -166.1 | 70.9 | -173.2 | 168 | 0 | 112.6 | L443 S446 Q481 A482 V483 G488 V489 | L443-K485 HydrophobicContact CD2-CB 3.59Å; L443-K485 HydrophobicContact CD2-CG 4.07Å; S446-K485 WeakPolarHBondContact OG-CG 3.43Å; Q481-K485 WeakPolarHBondContact O-CB 3.44Å; Q481-K485 PolarHBondContact O-N 2.84Å; A482-K485 PolarHBondContact O-N 2.87Å; V483-K485 PolarHBondContact O-N 3.29Å; K485-G488 PolarHBondContact O-N 2.98Å; K485-V489 PolarHBondContact O-N 3.47Å |
| 486 | W | 87.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.5 | -34.9 | -178.2 | -83 | 80.7 | 0 | 0 | 0 | 112.9 | V400 L442 L445 V451 V454 L455 V458 A482 V483 V489 C490 | V400-W486 HydrophobicContact CG1-CH2 3.95Å; V400-W486 HydrophobicContact CG1-CZ2 4.42Å; V400-W486 HydrophobicContact CG2-CH2 4.25Å; L442-W486 HydrophobicContact CD1-CH2 4.44Å; L442-W486 HydrophobicContact CD1-CZ2 3.6Å; L442-W486 HydrophobicContact CG-CZ2 4.12Å; L442-W486 WeakPolarHBondContact O-CZ2 3.2Å; L442-W486 PolarHBondContact O-NE1 3.37Å; L445-W486 HydrophobicContact CB-CZ2 4.27Å; V451-W486 HydrophobicContact CB-CH2 3.83Å; V451-W486 HydrophobicContact CB-CZ3 3.67Å; V451-W486 HydrophobicContact CG1-CH2 4.03Å; V451-W486 HydrophobicContact CG1-CZ3 4.39Å; V451-W486 HydrophobicContact CG2-CZ3 4.18Å; V454-W486 HydrophobicContact CG2-CH2 4.31Å; V454-W486 HydrophobicContact CG2-CZ3 4.16Å; L455-W486 HydrophobicContact CD1-CB 4.21Å; L455-W486 HydrophobicContact CD1-CE3 4.17Å; V458-W486 HydrophobicContact CB-CD2 4.44Å; V458-W486 HydrophobicContact CB-CE3 4.31Å; V458-W486 HydrophobicContact CG1-CB 4.37Å; V458-W486 HydrophobicContact CG1-CD2 3.83Å; V458-W486 HydrophobicContact CG1-CE3 4.17Å; V458-W486 HydrophobicContact CG1-CG 3.89Å; V458-W486 HydrophobicContact CG2-CD2 4.15Å; V458-W486 HydrophobicContact CG2-CE3 3.88Å; V458-W486 HydrophobicContact CG2-CH2 3.88Å; V458-W486 HydrophobicContact CG2-CZ2 4.16Å; V458-W486 HydrophobicContact CG2-CZ3 3.72Å; A482-W486 WeakPolarHBondContact O-CB 3.49Å; A482-W486 PolarHBondContact O-N 3.43Å; V483-W486 PolarHBondContact O-N 3.35Å; W486-V489 WeakPolarHBondContact O-CG2 3.21Å; W486-C490 PolarHBondContact O-SG 2.91Å |
| 487 | V | 82.4 | Confident | 84.7 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.3 | -42.1 | 172.5 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | F459 V483 V489 C490 L493 L550 | F459-V487 HydrophobicContact CD2-CG2 4.45Å; F459-V487 HydrophobicContact CE2-CG2 3.9Å; V483-V487 HydrophobicContact CG1-CG2 4.27Å; V483-V487 WeakPolarHBondContact O-CB 3.32Å; V483-V487 VanDerWaalsContact O-CG2 3.3Å; V483-V487 WeakPolarHBondContact O-CG2 3.25Å; V483-V487 PolarHBondContact O-N 3.35Å; V487-V489 PolarHBondContact O-N 2.88Å; V487-V489 VanDerWaalsContact O-N 3.16Å; V487-C490 PolarHBondContact O-N 3.45Å; V487-C490 VanDerWaalsContact O-O 3.06Å; V487-L493 HydrophobicContact CG1-CD1 3.77Å; V487-L493 HydrophobicContact CG1-CD2 4.15Å; V487-L493 HydrophobicContact CG2-CD2 4.41Å; V487-L550 HydrophobicContact CG1-CD2 4.42Å; V487-L550 HydrophobicContact CG2-CD1 4.02Å; V487-L550 HydrophobicContact CG2-CD2 3.75Å; V487-L550 HydrophobicContact CG2-CG 4.44Å |
| 488 | G | 78.8 | Confident | 84.2 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 61% | 0.608 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.4 | -19.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | I484 K485 | I484-G488 PolarHBondContact O-N 2.76Å; K485-G488 PolarHBondContact O-N 2.98Å |
| 489 | V | 78 | Confident | 83.7 | Confident | 53 Ų | 53 | 50.9 Ų | 50.9 | 32% | 0.321 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -8.6 | 174.8 | -63.6 | 0 | 0 | 0 | 0 | 113.2 | S446 K485 W486 V487 | S446-V489 WeakPolarHBondContact O-CG2 3.48Å; K485-V489 PolarHBondContact O-N 3.47Å; W486-V489 WeakPolarHBondContact O-CG2 3.21Å; V487-V489 PolarHBondContact O-N 2.88Å; V487-V489 VanDerWaalsContact O-N 3.16Å |
| 490 | C | 73.6 | Confident | 83.3 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | trans | -109 | 107.7 | -178.6 | -64.3 | 0 | 0 | 0 | 0 | 109.9 | L455 W486 V487 D492 L493 | L455-C490 HydrophobicContact CD2-CB 3.82Å; W486-C490 PolarHBondContact O-SG 2.91Å; V487-C490 PolarHBondContact O-N 3.45Å; V487-C490 VanDerWaalsContact O-O 3.06Å; C490-D492 PolarHBondContact O-N 3.14Å; C490-L493 HydrophobicContact CB-CD2 4.1Å | ||
| 491 | P | 65.7 | Low | 82.9 | Confident | 115 Ų | 115 | 53 Ų | 53 | 75% | 0.747 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -73.4 | -15.6 | -179.1 | 29.8 | -35.2 | 0 | 0 | 0 | 113.3 | ||
| 492 | D | 72.1 | Confident | 82.7 | Confident | 92 Ų | 92 | 53 Ų | 53 | 49% | 0.492 | 30% | 0.304 | S | S | . | . | trans | -127.8 | 121.8 | -179.6 | 178.7 | 5.1 | 0 | 0 | 0 | 108.4 | C490 S494 | C490-D492 PolarHBondContact O-N 3.14Å; D492-S494 WeakPolarHBondContact OD1-CB 3.27Å; D492-S494 PolarHBondContact OD1-N 3.47Å; D492-S494 PolarHBondContact OD1-OG 2.86Å; D492-S494 PolarHBondContact OD2-OG 3.39Å; D492-S494 VanDerWaalsContact OD2-OG 3.1Å | ||
| 493 | L | 77.8 | Confident | 82.6 | Confident | 16 Ų | 16 | 54 Ų | 54 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | trans | -107.5 | 9 | -179.9 | -59.9 | 178.1 | 0 | 0 | 0 | 112.3 | L455 V487 C490 C495 I496 L550 | L455-L493 HydrophobicContact CD2-CD2 4.07Å; V487-L493 HydrophobicContact CG1-CD1 3.77Å; V487-L493 HydrophobicContact CG1-CD2 4.15Å; V487-L493 HydrophobicContact CG2-CD2 4.41Å; C490-L493 HydrophobicContact CB-CD2 4.1Å; L493-C495 PolarHBondContact O-N 2.68Å; L493-C495 VanDerWaalsContact O-N 3.1Å; L493-I496 HydrophobicContact CB-CD1 4.29Å; L493-I496 HydrophobicContact CD2-CD1 4.04Å; L493-I496 WeakPolarHBondContact O-CB 3.41Å; L493-I496 PolarHBondContact O-N 2.86Å; L493-L550 HydrophobicContact CD1-CB 4.24Å; L493-L550 HydrophobicContact CD1-CD1 4.26Å | ||
| 494 | S | 78.8 | Confident | 82.6 | Confident | 75 Ų | 75 | 54 Ų | 54 | 52% | 0.524 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -22.9 | 180 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | D492 I496 | D492-S494 WeakPolarHBondContact OD1-CB 3.27Å; D492-S494 PolarHBondContact OD1-N 3.47Å; D492-S494 PolarHBondContact OD1-OG 2.86Å; D492-S494 PolarHBondContact OD2-OG 3.39Å; D492-S494 VanDerWaalsContact OD2-OG 3.1Å; S494-I496 PolarHBondContact O-N 3.29Å |
| 495 | C | 78.7 | Confident | 82.7 | Confident | 59 Ų | 59 | 52.3 Ų | 52.3 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -15.9 | 175.2 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | V456 L493 T497 | V456-C495 HydrophobicContact CG2-CB 4.13Å; V456-C495 VanDerWaalsContact CG2-O 3.27Å; V456-C495 WeakPolarHBondContact CG2-O 3.42Å; L493-C495 PolarHBondContact O-N 2.68Å; L493-C495 VanDerWaalsContact O-N 3.1Å; C495-T497 PolarHBondContact O-N 3.3Å |
| 496 | I | 83.3 | Confident | 82.9 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -81 | 110.8 | 174.5 | -57.8 | 179.7 | 0 | 0 | 0 | 108.2 | L455 F459 L493 S494 L500 L550 | L455-I496 HydrophobicContact CD2-CD1 4.5Å; F459-I496 HydrophobicContact CD1-CG2 4.37Å; F459-I496 HydrophobicContact CD2-CD1 4.01Å; F459-I496 HydrophobicContact CE2-CD1 4.24Å; F459-I496 HydrophobicContact CG-CD1 4.17Å; L493-I496 HydrophobicContact CB-CD1 4.29Å; L493-I496 HydrophobicContact CD2-CD1 4.04Å; L493-I496 WeakPolarHBondContact O-CB 3.41Å; L493-I496 PolarHBondContact O-N 2.86Å; S494-I496 PolarHBondContact O-N 3.29Å; I496-L500 HydrophobicContact CG2-CB 4.31Å; I496-L500 HydrophobicContact CG2-CD2 4.24Å; I496-L500 HydrophobicContact CG2-CG 4.27Å; I496-L550 HydrophobicContact CD1-CD1 3.74Å |
| 497 | T | 85.1 | Confident | 83.2 | Confident | 77 Ų | 77 | 53.3 Ų | 53.3 | 47% | 0.472 | 31% | 0.312 | S | S | . | . | trans | -63.4 | 150.4 | 179.9 | 66.3 | 0 | 0 | 0 | 0 | 112 | C495 Q499 L500 R501 | C495-T497 PolarHBondContact O-N 3.3Å; T497-Q499 PolarHBondContact O-N 3.19Å; T497-L500 PolarHBondContact O-N 3.36Å; T497-L500 WeakPolarHBondContact OG1-CB 3.47Å; T497-L500 PolarHBondContact OG1-N 3.43Å; T497-R501 PolarHBondContact O-N 2.92Å | ||
| 498 | D | 84.3 | Confident | 83.7 | Confident | 120 Ų | 120 | 53 Ų | 53 | 64% | 0.642 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -56.7 | -36.2 | 177 | -63.9 | -32 | 0 | 0 | 0 | 112.3 | L500 R501 E502 | D498-L500 PolarHBondContact O-N 2.8Å; D498-R501 PolarHBondContact O-N 3.46Å; D498-E502 WeakPolarHBondContact O-CB 3.44Å; D498-E502 PolarHBondContact O-N 3.22Å |
| 499 | Q | 86.8 | Confident | 84.4 | Confident | 167 Ų | 167 | 55.7 Ų | 55.7 | 78% | 0.78 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.6 | -43.1 | 175.6 | -174.3 | -177.6 | 13.9 | 0 | 0 | 112 | T497 G503 | T497-Q499 PolarHBondContact O-N 3.19Å; Q499-G503 PolarHBondContact O-N 3.05Å |
| 500 | L | 86.6 | Confident | 85.2 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 14% | 0.141 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.8 | -37 | 179.6 | -178.4 | 56.6 | 0 | 0 | 0 | 110.9 | V456 F459 K460 I496 T497 D498 G503 F504 | V456-L500 HydrophobicContact CG1-CD2 4.18Å; F459-L500 HydrophobicContact CB-CD2 4.11Å; F459-L500 HydrophobicContact CD1-CD1 4.41Å; F459-L500 HydrophobicContact CD1-CD2 4.12Å; F459-L500 HydrophobicContact CD1-CG 3.95Å; K460-L500 HydrophobicContact CB-CD1 4.37Å; I496-L500 HydrophobicContact CG2-CB 4.31Å; I496-L500 HydrophobicContact CG2-CD2 4.24Å; I496-L500 HydrophobicContact CG2-CG 4.27Å; T497-L500 PolarHBondContact O-N 3.36Å; T497-L500 WeakPolarHBondContact OG1-CB 3.47Å; T497-L500 PolarHBondContact OG1-N 3.43Å; D498-L500 PolarHBondContact O-N 2.8Å; L500-G503 PolarHBondContact O-N 3.13Å; L500-F504 WeakPolarHBondContact O-CB 3.37Å; L500-F504 PolarHBondContact O-N 2.6Å |
| 501 | R | 87.5 | Confident | 86.2 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -49 | 174.2 | -165.2 | 178.9 | -56.7 | -149.6 | 8.7 | 111.9 | T497 D498 G503 F504 I505 S547 V549 L550 | T497-R501 PolarHBondContact O-N 2.92Å; D498-R501 PolarHBondContact O-N 3.46Å; R501-G503 VanDerWaalsContact C-N 3.35Å; R501-G503 PolarHBondContact O-N 3.43Å; R501-F504 WeakPolarHBondContact O-CB 3.26Å; R501-F504 PolarHBondContact O-N 3.5Å; R501-I505 HydrophobicContact CG-CD1 4.19Å; R501-I505 WeakPolarHBondContact O-CG1 3.3Å; R501-I505 PolarHBondContact O-N 3.09Å; R501-S547 PolarHBondContact NH1-O 2.96Å; R501-S547 PolarHBondContact NH2-O 3.16Å; R501-V549 PolarHBondContact NH1-O 2.67Å; R501-L550 WeakPolarHBondContact CG-O 3.35Å |
| 502 | E | 88.7 | Confident | 87.5 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.9 | -178.1 | 54.3 | -150.5 | 0 | 0 | 111.4 | D498 F504 I505 Q506 | D498-E502 WeakPolarHBondContact O-CB 3.44Å; D498-E502 PolarHBondContact O-N 3.22Å; E502-F504 VanDerWaalsContact C-N 3.27Å; E502-F504 PolarHBondContact O-N 3.23Å; E502-I505 PolarHBondContact O-N 3.14Å; E502-Q506 VanDerWaalsContact O-CG 3.32Å; E502-Q506 WeakPolarHBondContact O-CG 3.39Å; E502-Q506 PolarHBondContact O-N 3.33Å; E502-Q506 WeakPolarHBondContact OE1-CG 3.38Å; E502-Q506 PolarHBondContact OE1-NE2 2.63Å |
| 503 | G | 90.8 | Very high | 88.5 | Confident | 21 Ų | 21 | 52 Ų | 52 | 22% | 0.216 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60 | -36.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q499 L500 R501 A507 | Q499-G503 PolarHBondContact O-N 3.05Å; L500-G503 PolarHBondContact O-N 3.13Å; R501-G503 VanDerWaalsContact C-N 3.35Å; R501-G503 PolarHBondContact O-N 3.43Å; G503-A507 WeakPolarHBondContact O-CB 3.35Å; G503-A507 PolarHBondContact O-N 2.87Å; G503-A507 VanDerWaalsContact O-N 3.1Å |
| 504 | F | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.8 | -44.7 | 175.1 | -175.5 | -102.1 | 0 | 0 | 0 | 112.4 | F459 T463 L466 V483 L500 R501 E502 Q506 A507 V508 F526 L550 L551 | F459-F504 HydrophobicContact CE1-CB 3.73Å; F459-F504 HydrophobicContact CE1-CD1 4.06Å; F459-F504 AromaticContact CE1-CD2 3.74Å; F459-F504 HydrophobicContact CE1-CD2 3.74Å; F459-F504 HydrophobicContact CE1-CE2 4.36Å; F459-F504 AromaticContact CE1-CG 3.57Å; F459-F504 HydrophobicContact CE1-CG 3.57Å; F459-F504 HydrophobicContact CZ-CB 4.43Å; F459-F504 AromaticContact CZ-CD1 3.9Å; F459-F504 HydrophobicContact CZ-CD1 3.9Å; F459-F504 AromaticContact CZ-CD2 3.92Å; F459-F504 HydrophobicContact CZ-CD2 3.92Å; F459-F504 HydrophobicContact CZ-CE1 4.11Å; F459-F504 HydrophobicContact CZ-CE2 4.11Å; F459-F504 AromaticContact CZ-CG 3.82Å; F459-F504 HydrophobicContact CZ-CG 3.82Å; F459-F504 HydrophobicContact CZ-CZ 4.22Å; T463-F504 HydrophobicContact CG2-CB 4.31Å; T463-F504 WeakPolarHBondContact OG1-CD2 3.44Å; L466-F504 HydrophobicContact CD1-CD2 3.91Å; L466-F504 HydrophobicContact CD1-CE2 3.28Å; L466-F504 HydrophobicContact CD1-CZ 3.96Å; V483-F504 HydrophobicContact CB-CZ 4.47Å; V483-F504 HydrophobicContact CG1-CE2 4.42Å; V483-F504 HydrophobicContact CG1-CZ 3.88Å; V483-F504 HydrophobicContact CG2-CE2 3.83Å; V483-F504 HydrophobicContact CG2-CZ 4.01Å; L500-F504 WeakPolarHBondContact O-CB 3.37Å; L500-F504 PolarHBondContact O-N 2.6Å; R501-F504 WeakPolarHBondContact O-CB 3.26Å; R501-F504 PolarHBondContact O-N 3.5Å; E502-F504 VanDerWaalsContact C-N 3.27Å; E502-F504 PolarHBondContact O-N 3.23Å; F504-Q506 VanDerWaalsContact C-N 3.29Å; F504-Q506 PolarHBondContact O-N 3.47Å; F504-A507 WeakPolarHBondContact O-CB 3.33Å; F504-A507 PolarHBondContact O-N 3.49Å; F504-A507 VanDerWaalsContact O-N 3.12Å; F504-V508 HydrophobicContact CD1-CG2 4.15Å; F504-V508 HydrophobicContact CE1-CG2 3.76Å; F504-V508 HydrophobicContact CE2-CG2 4.49Å; F504-V508 HydrophobicContact CZ-CG2 3.93Å; F504-V508 WeakPolarHBondContact O-CG2 3.49Å; F504-V508 PolarHBondContact O-N 3.28Å; F504-F526 HydrophobicContact CE1-CE1 4.03Å; F504-F526 AromaticContact CE1-CZ 3.8Å; F504-F526 HydrophobicContact CE1-CZ 3.8Å; F504-F526 AromaticContact CZ-CE1 3.9Å; F504-F526 HydrophobicContact CZ-CE1 3.9Å; F504-F526 AromaticContact CZ-CZ 3.52Å; F504-F526 HydrophobicContact CZ-CZ 3.52Å; F504-L550 HydrophobicContact CE1-CD2 4.33Å; F504-L551 HydrophobicContact CD1-CD2 3.58Å; F504-L551 HydrophobicContact CE1-CD2 3.67Å; F504-L551 HydrophobicContact CE1-CG 4.28Å |
| 505 | I | 90.4 | Very high | 90.1 | Very high | 13 Ų | 13 | 54.6 Ų | 54.6 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.3 | -45.9 | 174.8 | -74.9 | 170.8 | 0 | 0 | 0 | 110.6 | R501 E502 V508 R509 L551 F556 | R501-I505 HydrophobicContact CG-CD1 4.19Å; R501-I505 WeakPolarHBondContact O-CG1 3.3Å; R501-I505 PolarHBondContact O-N 3.09Å; E502-I505 PolarHBondContact O-N 3.14Å; I505-V508 PolarHBondContact O-N 3.43Å; I505-R509 PolarHBondContact O-N 3.28Å; I505-L551 HydrophobicContact CG1-CD2 3.68Å; I505-F556 HydrophobicContact CG2-CD2 3.97Å; I505-F556 HydrophobicContact CG2-CE2 3.45Å; I505-F556 VanDerWaalsContact CG2-CE2 3.45Å; I505-F556 HydrophobicContact CG2-CZ 3.96Å |
| 506 | Q | 91.8 | Very high | 90.9 | Very high | 105 Ų | 105 | 55 Ų | 55 | 49% | 0.491 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.9 | -70.7 | 176.3 | 10.2 | 0 | 0 | 112.1 | E502 F504 V508 R509 K510 | E502-Q506 VanDerWaalsContact O-CG 3.32Å; E502-Q506 WeakPolarHBondContact O-CG 3.39Å; E502-Q506 PolarHBondContact O-N 3.33Å; E502-Q506 WeakPolarHBondContact OE1-CG 3.38Å; E502-Q506 PolarHBondContact OE1-NE2 2.63Å; F504-Q506 VanDerWaalsContact C-N 3.29Å; F504-Q506 PolarHBondContact O-N 3.47Å; Q506-V508 VanDerWaalsContact C-N 3.34Å; Q506-V508 PolarHBondContact O-N 3.33Å; Q506-R509 PolarHBondContact O-N 3.11Å; Q506-K510 WeakPolarHBondContact O-CB 3.27Å; Q506-K510 PolarHBondContact O-N 3.17Å |
| 507 | A | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L466 N467 G503 F504 K510 R511 | L466-A507 HydrophobicContact CB-CB 3.73Å; N467-A507 WeakPolarHBondContact OD1-CA 3.47Å; N467-A507 VanDerWaalsContact OD1-CB 3.27Å; N467-A507 WeakPolarHBondContact OD1-CB 3.36Å; G503-A507 WeakPolarHBondContact O-CB 3.35Å; G503-A507 PolarHBondContact O-N 2.87Å; G503-A507 VanDerWaalsContact O-N 3.1Å; F504-A507 WeakPolarHBondContact O-CB 3.33Å; F504-A507 PolarHBondContact O-N 3.49Å; F504-A507 VanDerWaalsContact O-N 3.12Å; A507-K510 PolarHBondContact O-N 2.87Å; A507-R511 WeakPolarHBondContact O-CG 3.38Å; A507-R511 PolarHBondContact O-N 2.91Å; A507-R511 VanDerWaalsContact O-N 3.08Å |
| 508 | V | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | L466 Y480 F504 I505 Q506 K510 R511 A512 T523 F526 L527 L551 F556 | L466-V508 HydrophobicContact CD1-CG2 4.47Å; Y480-V508 HydrophobicContact CE1-CG2 4.14Å; F504-V508 HydrophobicContact CD1-CG2 4.15Å; F504-V508 HydrophobicContact CE1-CG2 3.76Å; F504-V508 HydrophobicContact CE2-CG2 4.49Å; F504-V508 HydrophobicContact CZ-CG2 3.93Å; F504-V508 WeakPolarHBondContact O-CG2 3.49Å; F504-V508 PolarHBondContact O-N 3.28Å; I505-V508 PolarHBondContact O-N 3.43Å; Q506-V508 VanDerWaalsContact C-N 3.34Å; Q506-V508 PolarHBondContact O-N 3.33Å; V508-K510 VanDerWaalsContact C-N 3.3Å; V508-K510 PolarHBondContact O-N 2.88Å; V508-R511 PolarHBondContact O-N 2.94Å; V508-R511 VanDerWaalsContact O-N 3.1Å; V508-A512 PolarHBondContact O-N 3.5Å; V508-T523 HydrophobicContact CG1-CG2 3.95Å; V508-F526 HydrophobicContact CG2-CE1 4.03Å; V508-L527 HydrophobicContact CG1-CD2 4.01Å; V508-L527 HydrophobicContact CG1-CG 4.47Å; V508-L551 HydrophobicContact CG2-CD2 4.45Å; V508-F556 HydrophobicContact CB-CZ 4.35Å; V508-F556 HydrophobicContact CG1-CE1 4.03Å; V508-F556 HydrophobicContact CG1-CZ 4.09Å |
| 509 | R | 93 | Very high | 92.6 | Very high | 117 Ų | 117 | 52.8 Ų | 52.8 | 44% | 0.442 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.7 | -46.9 | 175.2 | -76.1 | -175.8 | 175.9 | 130.5 | 5 | 111.4 | I505 Q506 R511 A512 C513 F556 L560 | I505-R509 PolarHBondContact O-N 3.28Å; Q506-R509 PolarHBondContact O-N 3.11Å; R509-R511 VanDerWaalsContact C-N 3.26Å; R509-R511 PolarHBondContact O-N 3.37Å; R509-A512 PolarHBondContact O-N 3.12Å; R509-C513 PolarHBondContact O-N 3.28Å; R509-F556 HydrophobicContact CG-CE2 3.57Å; R509-F556 HydrophobicContact CG-CZ 3.82Å; R509-L560 HydrophobicContact CG-CD1 4.45Å |
| 510 | K | 93.8 | Very high | 93.1 | Very high | 77 Ų | 77 | 46.1 Ų | 46.1 | 34% | 0.335 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.7 | -38.3 | 178.5 | -177.7 | -176.6 | 177.6 | -175.6 | 0 | 112 | N467 H469 Q506 A507 V508 C513 D514 | N467-K510 PolarHBondContact O-NZ 3.03Å; H469-K510 PolarHBondContact CD2-NZ 2.95Å; H469-K510 PolarHBondContact CE1-NZ 3.46Å; H469-K510 VanDerWaalsContact CE1-NZ 3.31Å; H469-K510 PolarHBondContact NE2-NZ 3.1Å; Q506-K510 WeakPolarHBondContact O-CB 3.27Å; Q506-K510 PolarHBondContact O-N 3.17Å; A507-K510 PolarHBondContact O-N 2.87Å; V508-K510 VanDerWaalsContact C-N 3.3Å; V508-K510 PolarHBondContact O-N 2.88Å; K510-C513 CarbonylContact O-C 3.51Å; K510-C513 PolarHBondContact O-N 2.71Å; K510-D514 PolarHBondContact O-N 3.49Å |
| 511 | R | 95 | Very high | 93.6 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 2% | 0.023 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -79.8 | -27.4 | -179.8 | -66.7 | -57.3 | 179 | -177.6 | -0.7 | 114.8 | L466 S468 Y480 A507 V508 R509 C513 D514 T523 | L466-R511 PolarHBondContact O-NE 3.32Å; L466-R511 PolarHBondContact O-NH2 3.44Å; S468-R511 VanDerWaalsContact C-NH2 3.31Å; S468-R511 PolarHBondContact O-NH2 3.42Å; Y480-R511 WeakPolarHBondContact OH-CB 3.43Å; A507-R511 WeakPolarHBondContact O-CG 3.38Å; A507-R511 PolarHBondContact O-N 2.91Å; A507-R511 VanDerWaalsContact O-N 3.08Å; V508-R511 PolarHBondContact O-N 2.94Å; V508-R511 VanDerWaalsContact O-N 3.1Å; R509-R511 VanDerWaalsContact C-N 3.26Å; R509-R511 PolarHBondContact O-N 3.37Å; R511-C513 PolarHBondContact O-N 2.88Å; R511-D514 IonicContact CZ-OD2 2.67Å; R511-D514 IonicContact NH1-OD2 3.01Å; R511-D514 PolarHBondContact NH1-OD2 2.9Å; R511-D514 WeakPolarHBondContact O-CB 3.22Å; R511-D514 PolarHBondContact O-N 3Å; R511-D514 VanDerWaalsContact O-N 3.1Å; R511-T523 HydrophobicContact CB-CG2 4.28Å; R511-T523 VanDerWaalsContact CB-OG1 3.31Å; R511-T523 WeakPolarHBondContact CB-OG1 3.34Å |
| 512 | A | 93.8 | Very high | 94 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.6 | -26.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V508 R509 R520 T523 L560 | V508-A512 PolarHBondContact O-N 3.5Å; R509-A512 PolarHBondContact O-N 3.12Å; A512-R520 WeakPolarHBondContact O-CD 3.49Å; A512-R520 WeakPolarHBondContact O-CG 3.39Å; A512-T523 HydrophobicContact CB-CG2 4.24Å; A512-L560 HydrophobicContact CB-CD2 4.26Å |
| 513 | C | 92.9 | Very high | 94.3 | Very high | 85 Ų | 85 | 41.4 Ų | 41.4 | 57% | 0.574 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | 21.2 | 176 | -49.5 | 0 | 0 | 0 | 0 | 113.7 | R509 K510 R511 | R509-C513 PolarHBondContact O-N 3.28Å; K510-C513 CarbonylContact O-C 3.51Å; K510-C513 PolarHBondContact O-N 2.71Å; R511-C513 PolarHBondContact O-N 2.88Å |
| 514 | D | 95.2 | Very high | 94.6 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 8% | 0.08 | 20% | 0.2 | C | C | . | . | trans | -63.9 | 143.8 | 179.3 | -163 | -59.6 | 0 | 0 | 0 | 110.8 | K510 R511 R516 A519 R520 | K510-D514 PolarHBondContact O-N 3.49Å; R511-D514 IonicContact CZ-OD2 2.67Å; R511-D514 IonicContact NH1-OD2 3.01Å; R511-D514 PolarHBondContact NH1-OD2 2.9Å; R511-D514 WeakPolarHBondContact O-CB 3.22Å; R511-D514 PolarHBondContact O-N 3Å; R511-D514 VanDerWaalsContact O-N 3.1Å; D514-R516 PolarHBondContact O-N 3.19Å; D514-R516 IonicContact OD1-CZ 2.65Å; D514-R516 PolarHBondContact OD1-N 3.42Å; D514-R516 IonicContact OD1-NE 3.05Å; D514-R516 PolarHBondContact OD1-NE 3.48Å; D514-R516 IonicContact OD1-NH2 2.86Å; D514-R516 IonicContact OD2-CZ 2.75Å; D514-R516 IonicContact OD2-NE 3.82Å; D514-R516 IonicContact OD2-NH2 2.69Å; D514-R516 PolarHBondContact OD2-NH2 3.42Å; D514-A519 HydrophobicContact CB-CB 3.8Å; D514-R520 HydrophobicContact CB-CG 4.17Å; D514-R520 WeakPolarHBondContact O-CD 3.46Å; D514-R520 VanDerWaalsContact O-CG 3.23Å; D514-R520 WeakPolarHBondContact O-CG 3.46Å; D514-R520 PolarHBondContact O-NH1 2.93Å | ||
| 515 | T | 93.9 | Very high | 94.7 | Very high | 130 Ų | 130 | 43.9 Ų | 43.9 | 80% | 0.798 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -60.1 | -29.7 | 176.2 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | R520 | T515-R520 PolarHBondContact O-NH1 2.76Š|
| 516 | R | 95.5 | Very high | 94.8 | Very high | 68 Ų | 68 | 43.4 Ų | 43.4 | 26% | 0.257 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -91.3 | 126.4 | -178.1 | -59.9 | 163.2 | -62.9 | 170 | 8.7 | 109.5 | S471 P473 D514 E518 A519 R520 | S471-R516 PolarHBondContact O-NH1 3.24Å; S471-R516 PolarHBondContact O-NH2 3.49Å; S471-R516 VanDerWaalsContact O-NH2 3.15Å; P473-R516 HydrophobicContact CG-CB 4.49Å; D514-R516 PolarHBondContact O-N 3.19Å; D514-R516 IonicContact OD1-CZ 2.65Å; D514-R516 PolarHBondContact OD1-N 3.42Å; D514-R516 IonicContact OD1-NE 3.05Å; D514-R516 PolarHBondContact OD1-NE 3.48Å; D514-R516 IonicContact OD1-NH2 2.86Å; D514-R516 IonicContact OD2-CZ 2.75Å; D514-R516 IonicContact OD2-NE 3.82Å; D514-R516 IonicContact OD2-NH2 2.69Å; D514-R516 PolarHBondContact OD2-NH2 3.42Å; R516-E518 VanDerWaalsContact C-N 3.28Å; R516-E518 PolarHBondContact O-N 3.26Å; R516-A519 HydrophobicContact CB-CB 4.48Å; R516-A519 PolarHBondContact O-N 3.43Å; R516-R520 PolarHBondContact O-N 3.49Å |
| 517 | W | 95.7 | Very high | 94.8 | Very high | 78 Ų | 78 | 38.4 Ų | 38.4 | 30% | 0.295 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66 | -32.2 | -174.9 | 72.7 | -94 | 0 | 0 | 0 | 112.3 | A519 R520 D521 E569 Y571 V572 | W517-A519 PolarHBondContact O-N 3.31Å; W517-R520 PolarHBondContact O-N 2.82Å; W517-D521 HydrophobicContact CE3-CB 4.13Å; W517-D521 HydrophobicContact CZ3-CB 4.31Å; W517-D521 VanDerWaalsContact O-CB 3.23Å; W517-D521 WeakPolarHBondContact O-CB 3.39Å; W517-D521 PolarHBondContact O-N 3.08Å; W517-E569 HydrophobicContact CB-CB 4.03Å; W517-E569 HydrophobicContact CB-CG 3.63Å; W517-E569 HydrophobicContact CG-CG 4.14Å; W517-Y571 HydrophobicContact CE3-CD2 4.46Å; W517-Y571 HydrophobicContact CE3-CG 4.46Å; W517-Y571 HydrophobicContact CH2-CD2 4.04Å; W517-Y571 HydrophobicContact CH2-CG 4.16Å; W517-Y571 AromaticContact CZ3-CD2 3.98Å; W517-Y571 HydrophobicContact CZ3-CD2 3.98Å; W517-Y571 AromaticContact CZ3-CG 3.8Å; W517-Y571 HydrophobicContact CZ3-CG 3.8Å; W517-V572 HydrophobicContact CB-CG2 4.29Å |
| 518 | E | 97 | Very high | 94.5 | Very high | 75 Ų | 75 | 38.5 Ų | 38.5 | 35% | 0.35 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.3 | -33.8 | 178.8 | -58.6 | 88.9 | 157.7 | 0 | 0 | 111.9 | P473 R516 S522 | P473-E518 HydrophobicContact CB-CB 3.61Å; P473-E518 HydrophobicContact CG-CB 4.22Å; R516-E518 VanDerWaalsContact C-N 3.28Å; R516-E518 PolarHBondContact O-N 3.26Å; E518-S522 VanDerWaalsContact O-CB 3.32Å; E518-S522 WeakPolarHBondContact O-CB 3.47Å; E518-S522 PolarHBondContact O-N 3.41Å; E518-S522 PolarHBondContact O-OG 3.47Å |
| 519 | A | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -74.9 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | P473 L476 D514 R516 W517 T523 | P473-A519 HydrophobicContact CB-CB 4.5Å; L476-A519 HydrophobicContact CD1-CB 3.81Å; D514-A519 HydrophobicContact CB-CB 3.8Å; R516-A519 HydrophobicContact CB-CB 4.48Å; R516-A519 PolarHBondContact O-N 3.43Å; W517-A519 PolarHBondContact O-N 3.31Å; A519-T523 WeakPolarHBondContact O-CB 3.35Å; A519-T523 PolarHBondContact O-N 2.79Å; A519-T523 PolarHBondContact O-OG1 2.96Å |
| 520 | R | 96.9 | Very high | 93.4 | Very high | 27 Ų | 27 | 38.2 Ų | 38.2 | 10% | 0.102 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.8 | -48.1 | 173.5 | -60.6 | -162.3 | -58.3 | -81.6 | 2.4 | 111 | A512 D514 T515 R516 W517 S522 T523 V524 D567 V572 | A512-R520 WeakPolarHBondContact O-CD 3.49Å; A512-R520 WeakPolarHBondContact O-CG 3.39Å; D514-R520 HydrophobicContact CB-CG 4.17Å; D514-R520 WeakPolarHBondContact O-CD 3.46Å; D514-R520 VanDerWaalsContact O-CG 3.23Å; D514-R520 WeakPolarHBondContact O-CG 3.46Å; D514-R520 PolarHBondContact O-NH1 2.93Å; T515-R520 PolarHBondContact O-NH1 2.76Å; R516-R520 PolarHBondContact O-N 3.49Å; W517-R520 PolarHBondContact O-N 2.82Å; R520-S522 PolarHBondContact O-N 2.96Å; R520-T523 WeakPolarHBondContact O-CA 3.41Å; R520-T523 WeakPolarHBondContact O-CB 3.15Å; R520-T523 PolarHBondContact O-N 2.62Å; R520-V524 WeakPolarHBondContact O-CG2 3.35Å; R520-V524 PolarHBondContact O-N 3.26Å; R520-D567 IonicContact CZ-OD1 3.62Å; R520-D567 IonicContact CZ-OD2 3.04Å; R520-D567 IonicContact NE-OD1 2.93Å; R520-D567 IonicContact NE-OD2 3.77Å; R520-D567 PolarHBondContact NE-OD2 2.93Å; R520-D567 IonicContact NH2-OD1 3.76Å; R520-D567 PolarHBondContact NH2-OD1 3.23Å; R520-D567 IonicContact NH2-OD2 3.82Å; R520-D567 PolarHBondContact NH2-OD2 3.3Å; R520-V572 HydrophobicContact CB-CG1 4.29Å; R520-V572 HydrophobicContact CB-CG2 4.14Å |
| 521 | D | 97.1 | Very high | 92.4 | Very high | 22 Ų | 22 | 35.3 Ų | 35.3 | 12% | 0.118 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.2 | -52.6 | 177.4 | -173.8 | 47.2 | 0 | 0 | 0 | 111.5 | W517 T523 V524 E525 V572 S575 | W517-D521 HydrophobicContact CE3-CB 4.13Å; W517-D521 HydrophobicContact CZ3-CB 4.31Å; W517-D521 VanDerWaalsContact O-CB 3.23Å; W517-D521 WeakPolarHBondContact O-CB 3.39Å; W517-D521 PolarHBondContact O-N 3.08Å; D521-T523 PolarHBondContact O-N 2.73Å; D521-V524 PolarHBondContact O-N 2.94Å; D521-V524 VanDerWaalsContact O-N 3.12Å; D521-E525 PolarHBondContact O-N 2.91Å; D521-V572 HydrophobicContact CB-CG2 4Å; D521-S575 WeakPolarHBondContact OD1-CB 3.32Å; D521-S575 PolarHBondContact OD1-OG 3.14Å |
| 522 | S | 96.3 | Very high | 90.9 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 6% | 0.056 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.1 | -33.5 | 176.5 | -61.6 | 0 | 0 | 0 | 0 | 113.1 | Q477 E518 R520 F526 | Q477-S522 WeakPolarHBondContact CB-OG 3.34Å; E518-S522 VanDerWaalsContact O-CB 3.32Å; E518-S522 WeakPolarHBondContact O-CB 3.47Å; E518-S522 PolarHBondContact O-N 3.41Å; E518-S522 PolarHBondContact O-OG 3.47Å; R520-S522 PolarHBondContact O-N 2.96Å; S522-F526 VanDerWaalsContact O-CB 3.32Å; S522-F526 WeakPolarHBondContact O-CB 3.38Å; S522-F526 PolarHBondContact O-N 3.17Å |
| 523 | T | 96.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.6 | -42.4 | 176.9 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | Y480 V508 R511 A512 A519 R520 D521 F526 L527 | Y480-T523 WeakPolarHBondContact CE2-OG1 3.5Å; Y480-T523 PolarHBondContact OH-OG1 3.15Å; V508-T523 HydrophobicContact CG1-CG2 3.95Å; R511-T523 HydrophobicContact CB-CG2 4.28Å; R511-T523 VanDerWaalsContact CB-OG1 3.31Å; R511-T523 WeakPolarHBondContact CB-OG1 3.34Å; A512-T523 HydrophobicContact CB-CG2 4.24Å; A519-T523 WeakPolarHBondContact O-CB 3.35Å; A519-T523 PolarHBondContact O-N 2.79Å; A519-T523 PolarHBondContact O-OG1 2.96Å; R520-T523 WeakPolarHBondContact O-CA 3.41Å; R520-T523 WeakPolarHBondContact O-CB 3.15Å; R520-T523 PolarHBondContact O-N 2.62Å; D521-T523 PolarHBondContact O-N 2.73Å; T523-F526 WeakPolarHBondContact O-CB 3.45Å; T523-F526 PolarHBondContact O-N 3.15Å; T523-L527 WeakPolarHBondContact O-CG 3.48Å; T523-L527 PolarHBondContact O-N 2.78Å |
| 524 | V | 95.4 | Very high | 87.6 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.8 | -43.4 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | R520 D521 F526 L527 G528 L561 A564 V572 S576 | R520-V524 WeakPolarHBondContact O-CG2 3.35Å; R520-V524 PolarHBondContact O-N 3.26Å; D521-V524 PolarHBondContact O-N 2.94Å; D521-V524 VanDerWaalsContact O-N 3.12Å; V524-F526 VanDerWaalsContact C-N 3.31Å; V524-F526 PolarHBondContact O-N 3.38Å; V524-L527 PolarHBondContact O-N 3.32Å; V524-G528 PolarHBondContact O-N 3.27Å; V524-L561 HydrophobicContact CG1-CD2 3.8Å; V524-A564 HydrophobicContact CG1-CB 4.49Å; V524-A564 HydrophobicContact CG2-CB 3.57Å; V524-V572 HydrophobicContact CG2-CG1 4.09Å; V524-S576 VanDerWaalsContact CG1-N 3.26Å |
| 525 | E | 94.3 | Very high | 85.4 | Confident | 70 Ų | 70 | 39.7 Ų | 39.7 | 33% | 0.327 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.6 | -43.2 | 172.6 | -73.6 | -166.6 | 148.5 | 0 | 0 | 111.8 | D521 G528 H529 | D521-E525 PolarHBondContact O-N 2.91Å; E525-G528 PolarHBondContact O-N 3.1Å; E525-H529 PolarHBondContact O-N 3.36Å; E525-H529 PolarHBondContact O-ND1 3.34Å |
| 526 | F | 93.3 | Very high | 83.1 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 176.7 | 166.4 | -106.9 | 0 | 0 | 0 | 112.4 | Y480 V483 I484 F504 V508 S522 T523 V524 G528 H529 L530 L551 | Y480-F526 HydrophobicContact CD1-CB 3.78Å; Y480-F526 AromaticContact CD1-CD1 3.37Å; Y480-F526 HydrophobicContact CD1-CD1 3.37Å; Y480-F526 AromaticContact CD1-CD2 3.51Å; Y480-F526 HydrophobicContact CD1-CD2 3.51Å; Y480-F526 AromaticContact CD1-CE1 3.72Å; Y480-F526 HydrophobicContact CD1-CE1 3.72Å; Y480-F526 AromaticContact CD1-CE2 3.85Å; Y480-F526 HydrophobicContact CD1-CE2 3.85Å; Y480-F526 AromaticContact CD1-CG 3.24Å; Y480-F526 HydrophobicContact CD1-CG 3.24Å; Y480-F526 AromaticContact CD1-CZ 3.94Å; Y480-F526 HydrophobicContact CD1-CZ 3.94Å; Y480-F526 HydrophobicContact CD2-CB 4.14Å; Y480-F526 HydrophobicContact CD2-CG 4.49Å; Y480-F526 HydrophobicContact CE1-CB 4.39Å; Y480-F526 AromaticContact CE1-CD1 3.53Å; Y480-F526 HydrophobicContact CE1-CD1 3.53Å; Y480-F526 HydrophobicContact CE1-CD2 4.47Å; Y480-F526 AromaticContact CE1-CE1 3.81Å; Y480-F526 HydrophobicContact CE1-CE1 3.81Å; Y480-F526 AromaticContact CE1-CG 3.88Å; Y480-F526 HydrophobicContact CE1-CG 3.88Å; Y480-F526 HydrophobicContact CE1-CZ 4.39Å; Y480-F526 HydrophobicContact CG-CB 3.65Å; Y480-F526 HydrophobicContact CG-CD1 4.16Å; Y480-F526 AromaticContact CG-CD2 3.86Å; Y480-F526 HydrophobicContact CG-CD2 3.86Å; Y480-F526 AromaticContact CG-CG 3.62Å; Y480-F526 HydrophobicContact CG-CG 3.62Å; V483-F526 HydrophobicContact CB-CE2 4.02Å; V483-F526 HydrophobicContact CB-CZ 4.46Å; V483-F526 HydrophobicContact CG1-CE2 3.78Å; V483-F526 HydrophobicContact CG1-CZ 3.91Å; I484-F526 HydrophobicContact CD1-CD2 3.74Å; I484-F526 HydrophobicContact CD1-CE2 4.31Å; I484-F526 HydrophobicContact CG1-CD2 3.75Å; I484-F526 HydrophobicContact CG1-CE2 3.79Å; F504-F526 HydrophobicContact CE1-CE1 4.03Å; F504-F526 AromaticContact CE1-CZ 3.8Å; F504-F526 HydrophobicContact CE1-CZ 3.8Å; F504-F526 AromaticContact CZ-CE1 3.9Å; F504-F526 HydrophobicContact CZ-CE1 3.9Å; F504-F526 AromaticContact CZ-CZ 3.52Å; F504-F526 HydrophobicContact CZ-CZ 3.52Å; V508-F526 HydrophobicContact CG2-CE1 4.03Å; S522-F526 VanDerWaalsContact O-CB 3.32Å; S522-F526 WeakPolarHBondContact O-CB 3.38Å; S522-F526 PolarHBondContact O-N 3.17Å; T523-F526 WeakPolarHBondContact O-CB 3.45Å; T523-F526 PolarHBondContact O-N 3.15Å; V524-F526 VanDerWaalsContact C-N 3.31Å; V524-F526 PolarHBondContact O-N 3.38Å; F526-G528 VanDerWaalsContact C-N 3.31Å; F526-G528 PolarHBondContact O-N 3.15Å; F526-H529 PolarHBondContact O-N 3.02Å; F526-L530 HydrophobicContact CD1-CD1 4.25Å; F526-L530 HydrophobicContact CD2-CD1 4.47Å; F526-L530 HydrophobicContact CD2-CG 4.36Å; F526-L530 HydrophobicContact CE1-CD1 3.51Å; F526-L530 HydrophobicContact CE1-CG 4.37Å; F526-L530 HydrophobicContact CE2-CD1 3.76Å; F526-L530 HydrophobicContact CE2-CD2 4.23Å; F526-L530 HydrophobicContact CE2-CG 3.86Å; F526-L530 HydrophobicContact CZ-CD1 3.22Å; F526-L530 HydrophobicContact CZ-CD2 4.38Å; F526-L530 HydrophobicContact CZ-CG 3.87Å; F526-L530 PolarHBondContact O-N 2.99Å; F526-L551 HydrophobicContact CE1-CD1 4.07Å |
| 527 | L | 90.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 176.5 | -74.5 | 176.3 | 0 | 0 | 0 | 111.6 | V508 T523 V524 L530 V531 L551 F556 T557 L560 L561 | V508-L527 HydrophobicContact CG1-CD2 4.01Å; V508-L527 HydrophobicContact CG1-CG 4.47Å; T523-L527 WeakPolarHBondContact O-CG 3.48Å; T523-L527 PolarHBondContact O-N 2.78Å; V524-L527 PolarHBondContact O-N 3.32Å; L527-L530 PolarHBondContact O-N 2.91Å; L527-V531 WeakPolarHBondContact O-CG2 3.31Å; L527-V531 PolarHBondContact O-N 3.12Å; L527-L551 HydrophobicContact CD2-CD1 3.65Å; L527-F556 HydrophobicContact CD2-CE1 4.11Å; L527-T557 HydrophobicContact CB-CG2 3.87Å; L527-T557 HydrophobicContact CD2-CG2 4.03Å; L527-T557 HydrophobicContact CG-CG2 4.39Å; L527-L560 HydrophobicContact CD1-CB 4.01Å; L527-L560 HydrophobicContact CD1-CD1 4.11Å; L527-L561 HydrophobicContact CB-CD2 3.95Å; L527-L561 HydrophobicContact CD1-CD2 4.22Å |
| 528 | G | 87.7 | Confident | 77.8 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.1 | -52.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V524 E525 F526 L530 V531 G532 A579 Q582 | V524-G528 PolarHBondContact O-N 3.27Å; E525-G528 PolarHBondContact O-N 3.1Å; F526-G528 VanDerWaalsContact C-N 3.31Å; F526-G528 PolarHBondContact O-N 3.15Å; G528-L530 VanDerWaalsContact C-N 3.3Å; G528-L530 PolarHBondContact O-N 2.99Å; G528-V531 PolarHBondContact O-N 3.46Å; G528-V531 VanDerWaalsContact O-N 3.13Å; G528-G532 PolarHBondContact O-N 3.47Å; G528-A579 VanDerWaalsContact CA-CB 3.44Å; G528-Q582 VanDerWaalsContact C-OE1 3.31Å; G528-Q582 PolarHBondContact O-OE1 2.65Å |
| 529 | H | 85.4 | Confident | 75.1 | Confident | 98 Ų | 98 | 39.2 Ų | 39.2 | 45% | 0.454 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.7 | -34.9 | -179.6 | -71.4 | 124 | 0 | 0 | 0 | 113.8 | I484 E525 F526 G532 A533 | I484-H529 HydrophobicContact CD1-CB 3.52Å; I484-H529 HydrophobicContact CG1-CB 4.46Å; E525-H529 PolarHBondContact O-N 3.36Å; E525-H529 PolarHBondContact O-ND1 3.34Å; F526-H529 PolarHBondContact O-N 3.02Å; H529-G532 CarbonylContact O-C 3.33Å; H529-G532 PolarHBondContact O-N 3.48Å; H529-A533 PolarHBondContact O-N 3.38Å |
| 530 | L | 79 | Confident | 72.1 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 175.4 | -79.7 | -177.9 | 0 | 0 | 0 | 112 | I484 F526 L527 G528 G532 A533 C536 L550 L551 | I484-L530 HydrophobicContact CG1-CD2 4.38Å; F526-L530 HydrophobicContact CD1-CD1 4.25Å; F526-L530 HydrophobicContact CD2-CD1 4.47Å; F526-L530 HydrophobicContact CD2-CG 4.36Å; F526-L530 HydrophobicContact CE1-CD1 3.51Å; F526-L530 HydrophobicContact CE1-CG 4.37Å; F526-L530 HydrophobicContact CE2-CD1 3.76Å; F526-L530 HydrophobicContact CE2-CD2 4.23Å; F526-L530 HydrophobicContact CE2-CG 3.86Å; F526-L530 HydrophobicContact CZ-CD1 3.22Å; F526-L530 HydrophobicContact CZ-CD2 4.38Å; F526-L530 HydrophobicContact CZ-CG 3.87Å; F526-L530 PolarHBondContact O-N 2.99Å; L527-L530 PolarHBondContact O-N 2.91Å; G528-L530 VanDerWaalsContact C-N 3.3Å; G528-L530 PolarHBondContact O-N 2.99Å; L530-G532 PolarHBondContact O-N 3.34Å; L530-A533 WeakPolarHBondContact O-CB 3.37Å; L530-A533 PolarHBondContact O-N 3.16Å; L530-C536 PolarHBondContact O-SG 2.81Å; L530-L550 HydrophobicContact CD2-CD2 4.26Å; L530-L551 HydrophobicContact CD1-CD1 3.25Å; L530-L551 HydrophobicContact CD1-CG 3.87Å |
| 531 | V | 73.6 | Confident | 69.3 | Low | 16 Ų | 16 | 53.2 Ų | 53.2 | 10% | 0.097 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -33.8 | 174.8 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | L527 G528 A533 W537 T557 T583 | L527-V531 WeakPolarHBondContact O-CG2 3.31Å; L527-V531 PolarHBondContact O-N 3.12Å; G528-V531 PolarHBondContact O-N 3.46Å; G528-V531 VanDerWaalsContact O-N 3.13Å; V531-A533 VanDerWaalsContact C-N 3.29Å; V531-A533 PolarHBondContact O-N 2.87Å; V531-W537 PolarHBondContact O-NE1 3.3Å; V531-T557 HydrophobicContact CG2-CG2 3.61Å; V531-T583 HydrophobicContact CB-CG2 4.3Å; V531-T583 HydrophobicContact CG1-CG2 3.66Å; V531-T583 HydrophobicContact CG2-CG2 4.13Å |
| 532 | G | 63.6 | Low | 66.3 | Low | 27 Ų | 27 | 60.7 Ų | 60.7 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 2.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | G528 H529 L530 W537 | G528-G532 PolarHBondContact O-N 3.47Å; H529-G532 CarbonylContact O-C 3.33Å; H529-G532 PolarHBondContact O-N 3.48Å; L530-G532 PolarHBondContact O-N 3.34Å; G532-W537 WeakPolarHBondContact O-CH2 3.36Å; G532-W537 WeakPolarHBondContact O-CZ2 3.23Å |
| 533 | A | 64.2 | Low | 63.6 | Low | 20 Ų | 20 | 70 Ų | 70 | 17% | 0.165 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -88.6 | 134.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H529 L530 V531 S535 C536 W537 | H529-A533 PolarHBondContact O-N 3.38Å; L530-A533 WeakPolarHBondContact O-CB 3.37Å; L530-A533 PolarHBondContact O-N 3.16Å; V531-A533 VanDerWaalsContact C-N 3.29Å; V531-A533 PolarHBondContact O-N 2.87Å; A533-S535 PolarHBondContact O-N 2.96Å; A533-S535 VanDerWaalsContact O-N 3.12Å; A533-C536 WeakPolarHBondContact O-CB 3.46Å; A533-C536 PolarHBondContact O-N 3.33Å; A533-W537 PolarHBondContact O-NE1 3.04Å |
| 534 | P | 52.7 | Low | 60.9 | Low | 97 Ų | 97 | 78 Ų | 78 | 63% | 0.63 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -57.2 | -29.4 | -178.8 | -25.6 | 33 | 0 | 0 | 0 | 115.6 | C536 W537 | P534-C536 PolarHBondContact O-N 2.72Å; P534-W537 HydrophobicContact CB-CE3 4.08Å; P534-W537 HydrophobicContact CB-CZ3 4.18Å; P534-W537 HydrophobicContact CG-CE3 4.38Å; P534-W537 HydrophobicContact CG-CH2 4.4Å; P534-W537 HydrophobicContact CG-CZ3 3.98Å; P534-W537 PolarHBondContact O-N 2.94Å; P534-W537 VanDerWaalsContact O-N 3.15Å |
| 535 | S | 49.6 | Very low | 58.4 | Low | 77 Ų | 77 | 82.3 Ų | 82.3 | 54% | 0.538 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -68.9 | -17 | 176.2 | 45.4 | 0 | 0 | 0 | 0 | 113.5 | A533 | A533-S535 PolarHBondContact O-N 2.96Å; A533-S535 VanDerWaalsContact O-N 3.12Å |
| 536 | C | 44.3 | Very low | 55.8 | Low | 28 Ų | 28 | 81.5 Ų | 81.5 | 19% | 0.189 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -93.6 | 10.1 | 172.7 | -70.4 | 0 | 0 | 0 | 0 | 112.7 | L530 A533 P534 F539 | L530-C536 PolarHBondContact O-SG 2.81Å; A533-C536 WeakPolarHBondContact O-CB 3.46Å; A533-C536 PolarHBondContact O-N 3.33Å; P534-C536 PolarHBondContact O-N 2.72Å; C536-F539 WeakPolarHBondContact O-CD2 3.28Å; C536-F539 WeakPolarHBondContact O-CE2 3.38Å |
| 537 | W | 43.3 | Very low | 53.6 | Low | 131 Ų | 131 | 85.6 Ų | 85.6 | 50% | 0.496 | 47% | 0.466 | S | S | . | . | trans | -113.8 | 2.1 | -176.3 | -55.6 | -22.1 | 0 | 0 | 0 | 114.1 | V531 G532 A533 P534 F539 | V531-W537 PolarHBondContact O-NE1 3.3Å; G532-W537 WeakPolarHBondContact O-CH2 3.36Å; G532-W537 WeakPolarHBondContact O-CZ2 3.23Å; A533-W537 PolarHBondContact O-NE1 3.04Å; P534-W537 HydrophobicContact CB-CE3 4.08Å; P534-W537 HydrophobicContact CB-CZ3 4.18Å; P534-W537 HydrophobicContact CG-CE3 4.38Å; P534-W537 HydrophobicContact CG-CH2 4.4Å; P534-W537 HydrophobicContact CG-CZ3 3.98Å; P534-W537 PolarHBondContact O-N 2.94Å; P534-W537 VanDerWaalsContact O-N 3.15Å; W537-F539 PolarHBondContact O-N 3.47Å | ||
| 538 | A | 36.1 | Very low | 51.6 | Low | 91 Ų | 91 | 89.6 Ų | 89.6 | 75% | 0.752 | 49% | 0.488 | S | S | * | . | trans | -75.8 | 35.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 539 | F | 40.3 | Very low | 50.4 | Low | 90 Ų | 90 | 90.3 Ų | 90.3 | 40% | 0.395 | 49% | 0.491 | S | S | . | . | trans | -101.5 | 112.2 | 178 | -55.3 | -56.4 | 0 | 0 | 0 | 109.4 | C536 W537 P546 V549 | C536-F539 WeakPolarHBondContact O-CD2 3.28Å; C536-F539 WeakPolarHBondContact O-CE2 3.38Å; W537-F539 PolarHBondContact O-N 3.47Å; F539-P546 HydrophobicContact CD1-CG 4Å; F539-P546 HydrophobicContact CE1-CG 3.44Å; F539-P546 VanDerWaalsContact CE1-CG 3.44Å; F539-V549 HydrophobicContact CE1-CG2 3.84Å; F539-V549 HydrophobicContact CZ-CG1 4.44Å; F539-V549 HydrophobicContact CZ-CG2 3.45Å; F539-V549 VanDerWaalsContact CZ-CG2 3.45Å | ||
| 540 | T | 33.8 | Very low | 49.6 | Very low | 129 Ų | 129 | 85.9 Ų | 85.9 | 79% | 0.791 | 47% | 0.471 | S | S | * | . | trans | -88.9 | 147.7 | 158.3 | 34.7 | 0 | 0 | 0 | 0 | 108.1 | Q542 | T540-Q542 PolarHBondContact O-N 3.38Š| ||
| 541 | E | 38 | Very low | 49.2 | Very low | 192 Ų | 192 | 85.6 Ų | 85.6 | 90% | 0.897 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -60.6 | 25.3 | -165.7 | -62.5 | 178.2 | 139.1 | 0 | 0 | 117.4 | ||
| 542 | Q | 35.5 | Very low | 48.8 | Very low | 180 Ų | 180 | 86.4 Ų | 86.4 | 84% | 0.841 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -103.5 | 120.8 | 175.6 | -105.5 | 172.2 | -14.5 | 0 | 0 | 112.1 | T540 M544 | T540-Q542 PolarHBondContact O-N 3.38Å; Q542-M544 PolarHBondContact O-N 3.28Å |
| 543 | E | 38.3 | Very low | 49.2 | Very low | 204 Ų | 204 | 85.5 Ų | 85.5 | 95% | 0.953 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -44.4 | 85.3 | 179.2 | -62.8 | 176.4 | 146.4 | 0 | 0 | 114.2 | ||
| 544 | M | 39.8 | Very low | 49.6 | Very low | 168 Ų | 168 | 88.8 Ų | 88.8 | 83% | 0.828 | 48% | 0.48 | S | S | * | . | trans | -168.1 | 109.9 | 143.8 | -162.5 | 165.2 | -176.8 | 0 | 0 | 106.4 | Q542 P546 | Q542-M544 PolarHBondContact O-N 3.28Å; M544-P546 VanDerWaalsContact O-CD 3.24Å; M544-P546 WeakPolarHBondContact O-CD 3.43Å | ||
| 545 | E | 42.8 | Very low | 50.7 | Low | 93 Ų | 93 | 88.6 Ų | 88.6 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | trans | -53.8 | 115.8 | 167 | -81.7 | -97.2 | 175.4 | 0 | 0 | 107.1 | G553 | E545-G553 VanDerWaalsContact OE2-CA 3.31Å; E545-G553 WeakPolarHBondContact OE2-CA 3.4Å | ||
| 546 | P | 40 | Very low | 52.3 | Low | 54 Ų | 54 | 85.6 Ų | 85.6 | 35% | 0.351 | 46% | 0.458 | S | S | . | . | trans | -64.9 | 151.3 | -177.9 | 25.5 | -32 | 0 | 0 | 0 | 109.8 | F539 M544 D548 V549 | F539-P546 HydrophobicContact CD1-CG 4Å; F539-P546 HydrophobicContact CE1-CG 3.44Å; F539-P546 VanDerWaalsContact CE1-CG 3.44Å; M544-P546 VanDerWaalsContact O-CD 3.24Å; M544-P546 WeakPolarHBondContact O-CD 3.43Å; P546-D548 PolarHBondContact O-N 3.49Å; P546-V549 HydrophobicContact CG-CG2 4.37Å | ||
| 547 | S | 45.7 | Very low | 54.3 | Low | 87 Ų | 87 | 84.5 Ų | 84.5 | 61% | 0.608 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -2.1 | 174.1 | -180 | 0 | 0 | 0 | 0 | 114.9 | R501 | R501-S547 PolarHBondContact NH1-O 2.96Å; R501-S547 PolarHBondContact NH2-O 3.16Å |
| 548 | D | 50 | Low | 56.4 | Low | 85 Ų | 85 | 78.4 Ų | 78.4 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -1.1 | -167.9 | -62.9 | -28 | 0 | 0 | 0 | 114 | P546 L550 | P546-D548 PolarHBondContact O-N 3.49Å; D548-L550 PolarHBondContact O-N 2.9Å |
| 549 | V | 62.3 | Low | 58.9 | Low | 16 Ų | 16 | 77.3 Ų | 77.3 | 10% | 0.097 | 41% | 0.413 | C | S | . | . | trans | -83.1 | 116.3 | 179 | -157 | 0 | 0 | 0 | 0 | 111.7 | R501 F539 P546 L551 | R501-V549 PolarHBondContact NH1-O 2.67Å; F539-V549 HydrophobicContact CE1-CG2 3.84Å; F539-V549 HydrophobicContact CZ-CG1 4.44Å; F539-V549 HydrophobicContact CZ-CG2 3.45Å; F539-V549 VanDerWaalsContact CZ-CG2 3.45Å; P546-V549 HydrophobicContact CG-CG2 4.37Å; V549-L551 VanDerWaalsContact C-N 3.27Å; V549-L551 CarbonylContact C-O 3.57Å; V549-L551 VanDerWaalsContact CB-O 3.29Å; V549-L551 WeakPolarHBondContact CB-O 3.31Å; V549-L551 WeakPolarHBondContact CG1-O 3.34Å; V549-L551 CarbonylContact O-C 3.58Å; V549-L551 PolarHBondContact O-N 3.06Å; V549-L551 VanDerWaalsContact O-N 3.17Å; V549-L551 VanDerWaalsContact O-O 3.06Å | ||
| 550 | L | 69.6 | Low | 61.4 | Low | 6 Ų | 6 | 74 Ų | 74 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -50.9 | -42.7 | -174.1 | -171.6 | 74 | 0 | 0 | 0 | 114.3 | F459 V483 V487 L493 I496 R501 F504 L530 D548 | F459-L550 HydrophobicContact CD2-CD1 4.39Å; F459-L550 HydrophobicContact CE1-CD1 4.05Å; F459-L550 HydrophobicContact CE2-CD1 3.38Å; F459-L550 HydrophobicContact CE2-CD2 3.9Å; F459-L550 HydrophobicContact CE2-CG 4.1Å; F459-L550 HydrophobicContact CZ-CD1 3.18Å; F459-L550 HydrophobicContact CZ-CD2 3.8Å; F459-L550 HydrophobicContact CZ-CG 3.71Å; V483-L550 HydrophobicContact CG1-CD2 3.77Å; V487-L550 HydrophobicContact CG1-CD2 4.42Å; V487-L550 HydrophobicContact CG2-CD1 4.02Å; V487-L550 HydrophobicContact CG2-CD2 3.75Å; V487-L550 HydrophobicContact CG2-CG 4.44Å; L493-L550 HydrophobicContact CD1-CB 4.24Å; L493-L550 HydrophobicContact CD1-CD1 4.26Å; I496-L550 HydrophobicContact CD1-CD1 3.74Å; R501-L550 WeakPolarHBondContact CG-O 3.35Å; F504-L550 HydrophobicContact CE1-CD2 4.33Å; L530-L550 HydrophobicContact CD2-CD2 4.26Å; D548-L550 PolarHBondContact O-N 2.9Å |
| 551 | L | 68.9 | Low | 64.2 | Low | 7 Ų | 7 | 67.9 Ų | 67.9 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -107.8 | 153.6 | 165.6 | -64.6 | 178.5 | 0 | 0 | 0 | 106.6 | F504 I505 V508 F526 L527 L530 V549 G553 F556 | F504-L551 HydrophobicContact CD1-CD2 3.58Å; F504-L551 HydrophobicContact CE1-CD2 3.67Å; F504-L551 HydrophobicContact CE1-CG 4.28Å; I505-L551 HydrophobicContact CG1-CD2 3.68Å; V508-L551 HydrophobicContact CG2-CD2 4.45Å; F526-L551 HydrophobicContact CE1-CD1 4.07Å; L527-L551 HydrophobicContact CD2-CD1 3.65Å; L530-L551 HydrophobicContact CD1-CD1 3.25Å; L530-L551 HydrophobicContact CD1-CG 3.87Å; V549-L551 VanDerWaalsContact C-N 3.27Å; V549-L551 CarbonylContact C-O 3.57Å; V549-L551 VanDerWaalsContact CB-O 3.29Å; V549-L551 WeakPolarHBondContact CB-O 3.31Å; V549-L551 WeakPolarHBondContact CG1-O 3.34Å; V549-L551 CarbonylContact O-C 3.58Å; V549-L551 PolarHBondContact O-N 3.06Å; V549-L551 VanDerWaalsContact O-N 3.17Å; V549-L551 VanDerWaalsContact O-O 3.06Å; L551-G553 PolarHBondContact O-N 3.17Å; L551-F556 HydrophobicContact CB-CD1 3.94Å; L551-F556 HydrophobicContact CB-CE1 4.39Å; L551-F556 HydrophobicContact CD1-CD1 4.12Å; L551-F556 HydrophobicContact CD1-CE1 3.93Å; L551-F556 HydrophobicContact CD2-CD1 4.39Å; L551-F556 HydrophobicContact CD2-CE1 4.03Å; L551-F556 HydrophobicContact CG-CD1 4.4Å; L551-F556 HydrophobicContact CG-CE1 4.37Å |
| 552 | G | 65.2 | Low | 66.8 | Low | 32 Ų | 32 | 60.9 Ų | 60.9 | 33% | 0.33 | 33% | 0.328 | S | S | . | . | trans | -63 | 48.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | S555 F556 | G552-S555 PolarHBondContact O-OG 2.9Å; G552-F556 PolarHBondContact O-N 3.22Å | ||
| 553 | G | 72.3 | Confident | 69.5 | Low | 8 Ų | 8 | 58.1 Ų | 58.1 | 8% | 0.082 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | 69.7 | -157.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E545 L551 S555 F556 T557 | E545-G553 VanDerWaalsContact OE2-CA 3.31Å; E545-G553 WeakPolarHBondContact OE2-CA 3.4Å; L551-G553 PolarHBondContact O-N 3.17Å; G553-S555 PolarHBondContact O-N 3.36Å; G553-F556 PolarHBondContact O-N 3.38Å; G553-T557 PolarHBondContact O-N 2.83Å; G553-T557 PolarHBondContact O-OG1 3.13Å |
| 554 | R | 73.7 | Confident | 72.3 | Confident | 89 Ų | 89 | 48.9 Ų | 48.9 | 34% | 0.336 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.6 | -32.8 | 172.7 | -72.8 | -176.5 | 173.3 | -146.7 | -2.8 | 111.8 | F556 T557 V558 T583 | R554-F556 PolarHBondContact O-N 3.42Å; R554-T557 PolarHBondContact O-N 3.25Å; R554-T557 VanDerWaalsContact O-N 3.15Å; R554-V558 HydrophobicContact CB-CG2 4.19Å; R554-V558 PolarHBondContact O-N 3.47Å; R554-T583 VanDerWaalsContact CZ-O 3.25Å; R554-T583 PolarHBondContact NH1-O 3.26Å; R554-T583 PolarHBondContact NH2-O 3.37Å |
| 555 | S | 75.7 | Confident | 74.9 | Confident | 93 Ų | 93 | 41 Ų | 41 | 65% | 0.65 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -59.2 | -30.5 | -178.8 | 80.1 | 0 | 0 | 0 | 0 | 113.1 | G552 G553 P559 | G552-S555 PolarHBondContact O-OG 2.9Å; G553-S555 PolarHBondContact O-N 3.36Å; S555-P559 WeakPolarHBondContact O-CD 3.2Å; S555-P559 WeakPolarHBondContact O-CG 3.11Å |
| 556 | F | 83.5 | Confident | 77.3 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 7% | 0.066 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -85.5 | -44.3 | 173.3 | 175.3 | -99.7 | 0 | 0 | 0 | 112.6 | I505 V508 R509 L527 L551 G552 G553 R554 L560 | I505-F556 HydrophobicContact CG2-CD2 3.97Å; I505-F556 HydrophobicContact CG2-CE2 3.45Å; I505-F556 VanDerWaalsContact CG2-CE2 3.45Å; I505-F556 HydrophobicContact CG2-CZ 3.96Å; V508-F556 HydrophobicContact CB-CZ 4.35Å; V508-F556 HydrophobicContact CG1-CE1 4.03Å; V508-F556 HydrophobicContact CG1-CZ 4.09Å; R509-F556 HydrophobicContact CG-CE2 3.57Å; R509-F556 HydrophobicContact CG-CZ 3.82Å; L527-F556 HydrophobicContact CD2-CE1 4.11Å; L551-F556 HydrophobicContact CB-CD1 3.94Å; L551-F556 HydrophobicContact CB-CE1 4.39Å; L551-F556 HydrophobicContact CD1-CD1 4.12Å; L551-F556 HydrophobicContact CD1-CE1 3.93Å; L551-F556 HydrophobicContact CD2-CD1 4.39Å; L551-F556 HydrophobicContact CD2-CE1 4.03Å; L551-F556 HydrophobicContact CG-CD1 4.4Å; L551-F556 HydrophobicContact CG-CE1 4.37Å; G552-F556 PolarHBondContact O-N 3.22Å; G553-F556 PolarHBondContact O-N 3.38Å; R554-F556 PolarHBondContact O-N 3.42Å; F556-L560 HydrophobicContact CD1-CD1 4.38Å; F556-L560 HydrophobicContact CE1-CD1 3.72Å; F556-L560 HydrophobicContact CE2-CD1 4Å; F556-L560 HydrophobicContact CZ-CD1 3.52Å |
| 557 | T | 85.1 | Confident | 80 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -77.7 | -45.8 | -166.8 | -56.9 | 0 | 0 | 0 | 0 | 113 | L527 V531 G553 R554 L560 L561 | L527-T557 HydrophobicContact CB-CG2 3.87Å; L527-T557 HydrophobicContact CD2-CG2 4.03Å; L527-T557 HydrophobicContact CG-CG2 4.39Å; V531-T557 HydrophobicContact CG2-CG2 3.61Å; G553-T557 PolarHBondContact O-N 2.83Å; G553-T557 PolarHBondContact O-OG1 3.13Å; R554-T557 PolarHBondContact O-N 3.25Å; R554-T557 VanDerWaalsContact O-N 3.15Å; T557-L560 PolarHBondContact O-N 3.27Å; T557-L561 HydrophobicContact CG2-CD1 3.8Å; T557-L561 HydrophobicContact CG2-CG 4.15Å; T557-L561 WeakPolarHBondContact O-CG 3.26Å; T557-L561 PolarHBondContact O-N 2.84Å; T557-L561 VanDerWaalsContact O-N 3.14Å |
| 558 | V | 87.1 | Confident | 82.3 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | -173.5 | 175.1 | 0 | 0 | 0 | 0 | 112.7 | R554 L560 L561 K562 L580 T583 E597 I601 | R554-V558 HydrophobicContact CB-CG2 4.19Å; R554-V558 PolarHBondContact O-N 3.47Å; V558-L560 PolarHBondContact O-N 2.94Å; V558-L561 PolarHBondContact O-N 2.98Å; V558-K562 HydrophobicContact CG1-CD 4.18Å; V558-K562 HydrophobicContact CG1-CG 4.36Å; V558-K562 WeakPolarHBondContact O-CG 3.19Å; V558-K562 PolarHBondContact O-N 3.19Å; V558-L580 HydrophobicContact CG1-CD2 4.36Å; V558-T583 HydrophobicContact CG2-CG2 4.14Å; V558-E597 WeakPolarHBondContact CG1-OE1 3.48Å; V558-I601 HydrophobicContact CG1-CD1 3.98Å |
| 559 | P | 89.8 | Confident | 84.6 | Confident | 68 Ų | 68 | 42 Ų | 42 | 44% | 0.442 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.2 | -42.9 | 176.8 | -27.2 | 36.7 | 0 | 0 | 0 | 113.7 | S555 L561 K562 E563 | S555-P559 WeakPolarHBondContact O-CD 3.2Å; S555-P559 WeakPolarHBondContact O-CG 3.11Å; P559-L561 VanDerWaalsContact C-N 3.34Å; P559-L561 PolarHBondContact O-N 3.4Å; P559-K562 PolarHBondContact O-N 3.1Å; P559-E563 PolarHBondContact O-N 2.94Å |
| 560 | L | 91.5 | Very high | 86.1 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -38.2 | 178.2 | -69.9 | 176.2 | 0 | 0 | 0 | 112.1 | R509 A512 L527 F556 T557 V558 E563 A564 | R509-L560 HydrophobicContact CG-CD1 4.45Å; A512-L560 HydrophobicContact CB-CD2 4.26Å; L527-L560 HydrophobicContact CD1-CB 4.01Å; L527-L560 HydrophobicContact CD1-CD1 4.11Å; F556-L560 HydrophobicContact CD1-CD1 4.38Å; F556-L560 HydrophobicContact CE1-CD1 3.72Å; F556-L560 HydrophobicContact CE2-CD1 4Å; F556-L560 HydrophobicContact CZ-CD1 3.52Å; T557-L560 PolarHBondContact O-N 3.27Å; V558-L560 PolarHBondContact O-N 2.94Å; L560-E563 PolarHBondContact O-N 3.1Å; L560-A564 WeakPolarHBondContact O-CB 3.4Å; L560-A564 PolarHBondContact O-N 3.49Å |
| 561 | L | 93 | Very high | 87.3 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.9 | -42.4 | 175.5 | -65 | 178.2 | 0 | 0 | 0 | 111.4 | V524 L527 T557 V558 P559 E563 A564 L565 S576 A579 L580 T583 | V524-L561 HydrophobicContact CG1-CD2 3.8Å; L527-L561 HydrophobicContact CB-CD2 3.95Å; L527-L561 HydrophobicContact CD1-CD2 4.22Å; T557-L561 HydrophobicContact CG2-CD1 3.8Å; T557-L561 HydrophobicContact CG2-CG 4.15Å; T557-L561 WeakPolarHBondContact O-CG 3.26Å; T557-L561 PolarHBondContact O-N 2.84Å; T557-L561 VanDerWaalsContact O-N 3.14Å; V558-L561 PolarHBondContact O-N 2.98Å; P559-L561 VanDerWaalsContact C-N 3.34Å; P559-L561 PolarHBondContact O-N 3.4Å; L561-E563 VanDerWaalsContact C-N 3.3Å; L561-E563 PolarHBondContact O-N 3.18Å; L561-A564 PolarHBondContact O-N 3.39Å; L561-A564 VanDerWaalsContact O-N 3.14Å; L561-L565 PolarHBondContact O-N 3.16Å; L561-S576 PolarHBondContact O-OG 2.72Å; L561-A579 HydrophobicContact CD1-CB 3.8Å; L561-A579 HydrophobicContact CD2-CB 3.6Å; L561-A579 HydrophobicContact CG-CB 4.34Å; L561-L580 HydrophobicContact CB-CD1 4.32Å; L561-L580 HydrophobicContact CB-CD2 3.59Å; L561-L580 HydrophobicContact CB-CG 3.74Å; L561-L580 HydrophobicContact CD1-CD2 4.03Å; L561-L580 HydrophobicContact CD1-CG 4.23Å; L561-L580 HydrophobicContact CG-CD2 4.49Å; L561-T583 HydrophobicContact CD1-CG2 4.24Å |
| 562 | K | 92.4 | Very high | 88.7 | Confident | 44 Ų | 44 | 45.5 Ų | 45.5 | 19% | 0.191 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -40.8 | 174.4 | -75.8 | -179.8 | 172.5 | 177.5 | 0 | 111.9 | V558 P559 L565 L580 E597 I601 | V558-K562 HydrophobicContact CG1-CD 4.18Å; V558-K562 HydrophobicContact CG1-CG 4.36Å; V558-K562 WeakPolarHBondContact O-CG 3.19Å; V558-K562 PolarHBondContact O-N 3.19Å; P559-K562 PolarHBondContact O-N 3.1Å; K562-L565 WeakPolarHBondContact O-CB 3.43Å; K562-L565 PolarHBondContact O-N 3.38Å; K562-L580 HydrophobicContact CG-CD2 4.47Å; K562-E597 IonicContact NZ-OE1 2.65Å; K562-I601 VanDerWaalsContact CE-CG1 3.43Å |
| 563 | E | 93.6 | Very high | 90.2 | Very high | 123 Ų | 123 | 44.9 Ų | 44.9 | 58% | 0.575 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -62.5 | -44.2 | 173.6 | -171.3 | 175.9 | 177.1 | 0 | 0 | 111.4 | P559 L560 L561 L565 Q566 | P559-E563 PolarHBondContact O-N 2.94Å; L560-E563 PolarHBondContact O-N 3.1Å; L561-E563 VanDerWaalsContact C-N 3.3Å; L561-E563 PolarHBondContact O-N 3.18Å; E563-L565 PolarHBondContact O-N 3.34Å; E563-Q566 PolarHBondContact O-N 3.33Å |
| 564 | A | 95.7 | Very high | 91.3 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -18.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V524 L560 L561 Q566 D567 V572 | V524-A564 HydrophobicContact CG1-CB 4.49Å; V524-A564 HydrophobicContact CG2-CB 3.57Å; L560-A564 WeakPolarHBondContact O-CB 3.4Å; L560-A564 PolarHBondContact O-N 3.49Å; L561-A564 PolarHBondContact O-N 3.39Å; L561-A564 VanDerWaalsContact O-N 3.14Å; A564-Q566 PolarHBondContact O-N 3.41Å; A564-D567 VanDerWaalsContact O-CB 3.32Å; A564-D567 WeakPolarHBondContact O-CB 3.48Å; A564-D567 PolarHBondContact O-N 2.97Å; A564-V572 HydrophobicContact CB-CG1 4.17Å |
| 565 | L | 94.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.1 | 169.7 | -76.4 | -179.5 | 0 | 0 | 0 | 112.5 | L561 K562 E563 R573 S576 I577 L580 Q604 L605 | L561-L565 PolarHBondContact O-N 3.16Å; K562-L565 WeakPolarHBondContact O-CB 3.43Å; K562-L565 PolarHBondContact O-N 3.38Å; E563-L565 PolarHBondContact O-N 3.34Å; L565-R573 WeakPolarHBondContact O-CD 3.39Å; L565-R573 WeakPolarHBondContact O-CG 3.49Å; L565-S576 WeakPolarHBondContact CG-OG 3.34Å; L565-I577 HydrophobicContact CD2-CB 4.49Å; L565-I577 HydrophobicContact CD2-CG1 3.52Å; L565-L580 HydrophobicContact CD1-CD1 3.34Å; L565-L580 HydrophobicContact CD2-CD1 4Å; L565-L580 HydrophobicContact CG-CD1 3.57Å; L565-Q604 HydrophobicContact CD1-CB 4.08Å; L565-L605 HydrophobicContact CD2-CD2 4.26Å |
| 566 | Q | 93.6 | Very high | 93.3 | Very high | 145 Ų | 145 | 37.3 Ų | 37.3 | 68% | 0.678 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 11.9 | 178.8 | -55.1 | -58.7 | -40.7 | 0 | 0 | 112.1 | E563 A564 | E563-Q566 PolarHBondContact O-N 3.33Å; A564-Q566 PolarHBondContact O-N 3.41Å |
| 567 | D | 97.1 | Very high | 93.8 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 10% | 0.096 | 19% | 0.189 | C | C | . | . | trans | -63.3 | 140.3 | -179.4 | -162.7 | -76.6 | 0 | 0 | 0 | 111.2 | R520 A564 E569 V572 R573 | R520-D567 IonicContact CZ-OD1 3.62Å; R520-D567 IonicContact CZ-OD2 3.04Å; R520-D567 IonicContact NE-OD1 2.93Å; R520-D567 IonicContact NE-OD2 3.77Å; R520-D567 PolarHBondContact NE-OD2 2.93Å; R520-D567 IonicContact NH2-OD1 3.76Å; R520-D567 PolarHBondContact NH2-OD1 3.23Å; R520-D567 IonicContact NH2-OD2 3.82Å; R520-D567 PolarHBondContact NH2-OD2 3.3Å; A564-D567 VanDerWaalsContact O-CB 3.32Å; A564-D567 WeakPolarHBondContact O-CB 3.48Å; A564-D567 PolarHBondContact O-N 2.97Å; D567-E569 PolarHBondContact O-N 3.35Å; D567-E569 VanDerWaalsContact O-N 3.17Å; D567-E569 WeakPolarHBondContact OD1-CB 3.46Å; D567-E569 PolarHBondContact OD1-N 3.2Å; D567-V572 HydrophobicContact CB-CB 3.79Å; D567-V572 HydrophobicContact CB-CG1 3.7Å; D567-R573 HydrophobicContact CB-CG 4.13Å; D567-R573 VanDerWaalsContact O-CD 3.23Å; D567-R573 WeakPolarHBondContact O-CD 3.46Å; D567-R573 VanDerWaalsContact O-CG 3.27Å; D567-R573 WeakPolarHBondContact O-CG 2.94Å; D567-R573 PolarHBondContact O-NH1 3.29Å | ||
| 568 | P | 95 | Very high | 94.1 | Very high | 98 Ų | 98 | 38.4 Ų | 38.4 | 64% | 0.636 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -58.5 | -27 | 176.4 | 22.9 | -35.3 | 0 | 0 | 0 | 113.6 | R573 | P568-R573 PolarHBondContact O-NH1 3.47Š|
| 569 | E | 96.7 | Very high | 94.3 | Very high | 77 Ų | 77 | 38.4 Ų | 38.4 | 36% | 0.36 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -97.2 | 125 | -173.9 | -64.1 | -70.4 | 163 | 0 | 0 | 112.1 | W517 D567 Y571 V572 R573 | W517-E569 HydrophobicContact CB-CB 4.03Å; W517-E569 HydrophobicContact CB-CG 3.63Å; W517-E569 HydrophobicContact CG-CG 4.14Å; D567-E569 PolarHBondContact O-N 3.35Å; D567-E569 VanDerWaalsContact O-N 3.17Å; D567-E569 WeakPolarHBondContact OD1-CB 3.46Å; D567-E569 PolarHBondContact OD1-N 3.2Å; E569-Y571 PolarHBondContact O-N 2.96Å; E569-V572 HydrophobicContact CB-CG2 4.12Å; E569-V572 PolarHBondContact O-N 3.11Å; E569-V572 VanDerWaalsContact O-N 3.12Å; E569-R573 PolarHBondContact O-N 3.22Å |
| 570 | S | 94.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -24.5 | -175.3 | 49 | 0 | 0 | 0 | 0 | 115.4 | A574 E614 | S570-A574 VanDerWaalsContact O-CB 3.27Å; S570-A574 WeakPolarHBondContact O-CB 3.2Å; S570-A574 PolarHBondContact O-N 3.13Å; S570-E614 WeakPolarHBondContact CB-OE1 3.39Å; S570-E614 WeakPolarHBondContact CB-OE2 3.43Å; S570-E614 PolarHBondContact N-OE2 2.93Å; S570-E614 VanDerWaalsContact OG-CD 3.27Å; S570-E614 PolarHBondContact OG-OE1 3.37Å; S570-E614 PolarHBondContact OG-OE2 3.07Å |
| 571 | Y | 95.4 | Very high | 94.1 | Very high | 99 Ų | 99 | 34.4 Ų | 34.4 | 39% | 0.388 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.6 | -46.4 | 173.7 | -69.4 | -80 | 0 | 0 | 0 | 111.4 | W517 E569 R573 A574 S575 F616 | W517-Y571 HydrophobicContact CE3-CD2 4.46Å; W517-Y571 HydrophobicContact CE3-CG 4.46Å; W517-Y571 HydrophobicContact CH2-CD2 4.04Å; W517-Y571 HydrophobicContact CH2-CG 4.16Å; W517-Y571 AromaticContact CZ3-CD2 3.98Å; W517-Y571 HydrophobicContact CZ3-CD2 3.98Å; W517-Y571 AromaticContact CZ3-CG 3.8Å; W517-Y571 HydrophobicContact CZ3-CG 3.8Å; E569-Y571 PolarHBondContact O-N 2.96Å; Y571-R573 PolarHBondContact O-N 2.67Å; Y571-A574 WeakPolarHBondContact O-CB 3.39Å; Y571-A574 PolarHBondContact O-N 3.01Å; Y571-A574 VanDerWaalsContact O-N 3.15Å; Y571-S575 PolarHBondContact O-N 3.33Å; Y571-S575 PolarHBondContact O-OG 3.01Å; Y571-F616 HydrophobicContact CD1-CD1 4.4Å; Y571-F616 AromaticContact CE1-CD1 3.89Å; Y571-F616 HydrophobicContact CE1-CD1 3.89Å; Y571-F616 HydrophobicContact CE1-CD2 4.44Å; Y571-F616 AromaticContact CE1-CE1 3.72Å; Y571-F616 HydrophobicContact CE1-CE1 3.72Å; Y571-F616 HydrophobicContact CE1-CE2 4.28Å; Y571-F616 HydrophobicContact CE1-CG 4.28Å; Y571-F616 AromaticContact CE1-CZ 3.94Å; Y571-F616 HydrophobicContact CE1-CZ 3.94Å; Y571-F616 HydrophobicContact CE2-CE2 4.33Å; Y571-F616 AromaticContact CZ-CE1 4Å; Y571-F616 AromaticContact CZ-CE2 3.81Å; Y571-F616 AromaticContact CZ-CZ 3.7Å; Y571-F616 WeakPolarHBondContact OH-CZ 3.4Å |
| 572 | V | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 179.1 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | W517 R520 D521 V524 A564 D567 E569 A574 S575 S576 | W517-V572 HydrophobicContact CB-CG2 4.29Å; R520-V572 HydrophobicContact CB-CG1 4.29Å; R520-V572 HydrophobicContact CB-CG2 4.14Å; D521-V572 HydrophobicContact CB-CG2 4Å; V524-V572 HydrophobicContact CG2-CG1 4.09Å; A564-V572 HydrophobicContact CB-CG1 4.17Å; D567-V572 HydrophobicContact CB-CB 3.79Å; D567-V572 HydrophobicContact CB-CG1 3.7Å; E569-V572 HydrophobicContact CB-CG2 4.12Å; E569-V572 PolarHBondContact O-N 3.11Å; E569-V572 VanDerWaalsContact O-N 3.12Å; V572-A574 PolarHBondContact O-N 3.28Å; V572-S575 PolarHBondContact O-N 3.1Å; V572-S576 PolarHBondContact O-N 3.35Å |
| 573 | R | 96.5 | Very high | 92.9 | Very high | 19 Ų | 19 | 35.5 Ų | 35.5 | 7% | 0.072 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.6 | -44.4 | 174.1 | -61.3 | -160.5 | -60.3 | -77.3 | 3.4 | 111.7 | L565 D567 P568 E569 Y571 S575 S576 I577 D612 E614 A617 | L565-R573 WeakPolarHBondContact O-CD 3.39Å; L565-R573 WeakPolarHBondContact O-CG 3.49Å; D567-R573 HydrophobicContact CB-CG 4.13Å; D567-R573 VanDerWaalsContact O-CD 3.23Å; D567-R573 WeakPolarHBondContact O-CD 3.46Å; D567-R573 VanDerWaalsContact O-CG 3.27Å; D567-R573 WeakPolarHBondContact O-CG 2.94Å; D567-R573 PolarHBondContact O-NH1 3.29Å; P568-R573 PolarHBondContact O-NH1 3.47Å; E569-R573 PolarHBondContact O-N 3.22Å; Y571-R573 PolarHBondContact O-N 2.67Å; R573-S575 PolarHBondContact O-N 3.43Å; R573-S576 PolarHBondContact O-N 3.19Å; R573-I577 WeakPolarHBondContact O-CD1 3.46Å; R573-I577 VanDerWaalsContact O-CG1 3.26Å; R573-I577 WeakPolarHBondContact O-CG1 3.4Å; R573-I577 PolarHBondContact O-N 3.2Å; R573-D612 IonicContact CZ-OD1 2.62Å; R573-D612 IonicContact CZ-OD2 2.78Å; R573-D612 IonicContact NE-OD1 2.86Å; R573-D612 IonicContact NE-OD2 2.76Å; R573-D612 PolarHBondContact NE-OD2 2.65Å; R573-D612 IonicContact NH2-OD1 3.23Å; R573-D612 PolarHBondContact NH2-OD1 3.31Å; R573-D612 IonicContact NH2-OD2 3.81Å; R573-D612 PolarHBondContact NH2-OD2 3.39Å; R573-E614 IonicContact CZ-OE2 2.83Å; R573-E614 IonicContact NH1-OE2 3.71Å; R573-E614 PolarHBondContact NH1-OE2 3.38Å; R573-E614 IonicContact NH2-OE2 3.71Å; R573-E614 PolarHBondContact NH2-OE2 3.11Å; R573-A617 HydrophobicContact CB-CB 4.1Å |
| 574 | A | 94.8 | Very high | 92.1 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 13% | 0.132 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S570 Y571 V572 S578 F616 A620 | S570-A574 VanDerWaalsContact O-CB 3.27Å; S570-A574 WeakPolarHBondContact O-CB 3.2Å; S570-A574 PolarHBondContact O-N 3.13Å; Y571-A574 WeakPolarHBondContact O-CB 3.39Å; Y571-A574 PolarHBondContact O-N 3.01Å; Y571-A574 VanDerWaalsContact O-N 3.15Å; V572-A574 PolarHBondContact O-N 3.28Å; A574-S578 PolarHBondContact O-N 2.9Å; A574-S578 PolarHBondContact O-OG 2.98Å; A574-S578 VanDerWaalsContact O-OG 3.06Å; A574-F616 HydrophobicContact CB-CB 4.35Å; A574-A620 HydrophobicContact CB-CB 3.92Å |
| 575 | S | 95.7 | Very high | 90.9 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 11% | 0.112 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66 | -40.2 | 173.8 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | D521 Y571 V572 R573 S578 A579 | D521-S575 WeakPolarHBondContact OD1-CB 3.32Å; D521-S575 PolarHBondContact OD1-OG 3.14Å; Y571-S575 PolarHBondContact O-N 3.33Å; Y571-S575 PolarHBondContact O-OG 3.01Å; V572-S575 PolarHBondContact O-N 3.1Å; R573-S575 PolarHBondContact O-N 3.43Å; S575-S578 PolarHBondContact O-N 3.47Å; S575-A579 WeakPolarHBondContact O-CB 3.48Å; S575-A579 PolarHBondContact O-N 3.37Å |
| 576 | S | 96.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -44.1 | 177.1 | 179 | 0 | 0 | 0 | 0 | 112.2 | V524 L561 L565 V572 R573 S578 A579 L580 | V524-S576 VanDerWaalsContact CG1-N 3.26Å; L561-S576 PolarHBondContact O-OG 2.72Å; L565-S576 WeakPolarHBondContact CG-OG 3.34Å; V572-S576 PolarHBondContact O-N 3.35Å; R573-S576 PolarHBondContact O-N 3.19Å; S576-S578 VanDerWaalsContact C-N 3.28Å; S576-S578 PolarHBondContact O-N 3.11Å; S576-A579 PolarHBondContact O-N 3.33Å; S576-A579 VanDerWaalsContact O-N 3.15Å; S576-L580 WeakPolarHBondContact O-CB 3.37Å; S576-L580 WeakPolarHBondContact O-CG 3.08Å; S576-L580 PolarHBondContact O-N 2.88Å |
| 577 | I | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.5 | -46.8 | 174.2 | -68.4 | 162.1 | 0 | 0 | 0 | 110.9 | L565 R573 A579 A581 L605 V608 A617 A620 A621 V624 | L565-I577 HydrophobicContact CD2-CB 4.49Å; L565-I577 HydrophobicContact CD2-CG1 3.52Å; R573-I577 WeakPolarHBondContact O-CD1 3.46Å; R573-I577 VanDerWaalsContact O-CG1 3.26Å; R573-I577 WeakPolarHBondContact O-CG1 3.4Å; R573-I577 PolarHBondContact O-N 3.2Å; I577-A579 VanDerWaalsContact C-N 3.35Å; I577-A579 PolarHBondContact O-N 2.95Å; I577-A581 WeakPolarHBondContact O-CB 3.43Å; I577-A581 PolarHBondContact O-N 3.4Å; I577-L605 HydrophobicContact CB-CD2 3.98Å; I577-L605 HydrophobicContact CG1-CD2 3.71Å; I577-L605 HydrophobicContact CG2-CD2 3.8Å; I577-V608 HydrophobicContact CD1-CB 4.39Å; I577-V608 HydrophobicContact CD1-CG1 3.48Å; I577-V608 VanDerWaalsContact CD1-CG1 3.48Å; I577-V608 HydrophobicContact CG1-CG1 4.46Å; I577-A617 HydrophobicContact CD1-CB 3.94Å; I577-A617 VanDerWaalsContact CD1-O 3.26Å; I577-A617 WeakPolarHBondContact CD1-O 3.46Å; I577-A620 HydrophobicContact CB-CB 4.17Å; I577-A620 HydrophobicContact CD1-CB 4.22Å; I577-A620 HydrophobicContact CG2-CB 3.99Å; I577-A621 HydrophobicContact CD1-CB 4.47Å; I577-A621 HydrophobicContact CG2-CB 4.31Å; I577-V624 HydrophobicContact CG2-CG2 4.07Å |
| 578 | S | 91.9 | Very high | 86.8 | Confident | 43 Ų | 43 | 28 Ų | 28 | 30% | 0.301 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.2 | -38.7 | 179.6 | -58.8 | 0 | 0 | 0 | 0 | 112 | A574 S575 S576 Q582 | A574-S578 PolarHBondContact O-N 2.9Å; A574-S578 PolarHBondContact O-OG 2.98Å; A574-S578 VanDerWaalsContact O-OG 3.06Å; S575-S578 PolarHBondContact O-N 3.47Å; S576-S578 VanDerWaalsContact C-N 3.28Å; S576-S578 PolarHBondContact O-N 3.11Å; S578-Q582 WeakPolarHBondContact O-CG 3.37Å; S578-Q582 PolarHBondContact O-N 3.29Å |
| 579 | A | 91.4 | Very high | 85.3 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 2% | 0.017 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.9 | -46.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G528 L561 S575 S576 I577 A581 Q582 T583 | G528-A579 VanDerWaalsContact CA-CB 3.44Å; L561-A579 HydrophobicContact CD1-CB 3.8Å; L561-A579 HydrophobicContact CD2-CB 3.6Å; L561-A579 HydrophobicContact CG-CB 4.34Å; S575-A579 WeakPolarHBondContact O-CB 3.48Å; S575-A579 PolarHBondContact O-N 3.37Å; S576-A579 PolarHBondContact O-N 3.33Å; S576-A579 VanDerWaalsContact O-N 3.15Å; I577-A579 VanDerWaalsContact C-N 3.35Å; I577-A579 PolarHBondContact O-N 2.95Å; A579-A581 VanDerWaalsContact C-N 3.27Å; A579-A581 PolarHBondContact O-N 3.1Å; A579-Q582 WeakPolarHBondContact O-CB 3.41Å; A579-Q582 PolarHBondContact O-N 3.36Å; A579-Q582 VanDerWaalsContact O-N 3.09Å; A579-T583 PolarHBondContact O-N 2.83Å |
| 580 | L | 90.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.1 | -37.6 | 174.9 | -75.4 | 169 | 0 | 0 | 0 | 111.5 | V558 L561 K562 L565 S576 Q582 T583 L584 I601 | V558-L580 HydrophobicContact CG1-CD2 4.36Å; L561-L580 HydrophobicContact CB-CD1 4.32Å; L561-L580 HydrophobicContact CB-CD2 3.59Å; L561-L580 HydrophobicContact CB-CG 3.74Å; L561-L580 HydrophobicContact CD1-CD2 4.03Å; L561-L580 HydrophobicContact CD1-CG 4.23Å; L561-L580 HydrophobicContact CG-CD2 4.49Å; K562-L580 HydrophobicContact CG-CD2 4.47Å; L565-L580 HydrophobicContact CD1-CD1 3.34Å; L565-L580 HydrophobicContact CD2-CD1 4Å; L565-L580 HydrophobicContact CG-CD1 3.57Å; S576-L580 WeakPolarHBondContact O-CB 3.37Å; S576-L580 WeakPolarHBondContact O-CG 3.08Å; S576-L580 PolarHBondContact O-N 2.88Å; L580-Q582 PolarHBondContact O-N 2.87Å; L580-T583 PolarHBondContact O-N 3.01Å; L580-T583 VanDerWaalsContact O-N 3.11Å; L580-T583 PolarHBondContact O-OG1 2.88Å; L580-L584 PolarHBondContact O-N 3.43Å; L580-I601 HydrophobicContact CB-CG2 3.94Å; L580-I601 HydrophobicContact CD1-CG2 4.37Å; L580-I601 HydrophobicContact CD2-CD1 4.15Å; L580-I601 HydrophobicContact CD2-CG1 4.33Å; L580-I601 HydrophobicContact CD2-CG2 4.31Å; L580-I601 HydrophobicContact CG-CG2 4.44Å |
| 581 | A | 86.2 | Confident | 82 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 5% | 0.05 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.8 | -34 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I577 A579 T583 L584 T585 V624 W628 | I577-A581 WeakPolarHBondContact O-CB 3.43Å; I577-A581 PolarHBondContact O-N 3.4Å; A579-A581 VanDerWaalsContact C-N 3.27Å; A579-A581 PolarHBondContact O-N 3.1Å; A581-T583 VanDerWaalsContact C-N 3.35Å; A581-L584 PolarHBondContact O-N 3.14Å; A581-T585 PolarHBondContact O-N 3.39Å; A581-T585 PolarHBondContact O-OG1 3.4Å; A581-V624 HydrophobicContact CB-CB 4.09Å; A581-V624 HydrophobicContact CB-CG1 3.39Å; A581-V624 HydrophobicContact CB-CG2 3.49Å; A581-V624 VanDerWaalsContact CB-CG2 3.49Å; A581-W628 HydrophobicContact CB-CH2 4.38Å; A581-W628 HydrophobicContact CB-CZ2 3.72Å |
| 582 | Q | 83.3 | Confident | 80.7 | Confident | 65 Ų | 65 | 32.7 Ų | 32.7 | 30% | 0.304 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69 | -33 | 176.6 | -67.5 | 175.3 | 29.4 | 0 | 0 | 111.8 | G528 S578 A579 L580 L584 T585 | G528-Q582 VanDerWaalsContact C-OE1 3.31Å; G528-Q582 PolarHBondContact O-OE1 2.65Å; S578-Q582 WeakPolarHBondContact O-CG 3.37Å; S578-Q582 PolarHBondContact O-N 3.29Å; A579-Q582 WeakPolarHBondContact O-CB 3.41Å; A579-Q582 PolarHBondContact O-N 3.36Å; A579-Q582 VanDerWaalsContact O-N 3.09Å; L580-Q582 PolarHBondContact O-N 2.87Å; Q582-L584 PolarHBondContact O-N 3.31Å; Q582-T585 PolarHBondContact O-N 3.06Å |
| 583 | T | 78.3 | Confident | 79.4 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.5 | -28.9 | 174.4 | 79.2 | 0 | 0 | 0 | 0 | 111.7 | V531 R554 V558 L561 A579 L580 A581 | V531-T583 HydrophobicContact CB-CG2 4.3Å; V531-T583 HydrophobicContact CG1-CG2 3.66Å; V531-T583 HydrophobicContact CG2-CG2 4.13Å; R554-T583 VanDerWaalsContact CZ-O 3.25Å; R554-T583 PolarHBondContact NH1-O 3.26Å; R554-T583 PolarHBondContact NH2-O 3.37Å; V558-T583 HydrophobicContact CG2-CG2 4.14Å; L561-T583 HydrophobicContact CD1-CG2 4.24Å; A579-T583 PolarHBondContact O-N 2.83Å; L580-T583 PolarHBondContact O-N 3.01Å; L580-T583 VanDerWaalsContact O-N 3.11Å; L580-T583 PolarHBondContact O-OG1 2.88Å; A581-T583 VanDerWaalsContact C-N 3.35Å |
| 584 | L | 76.3 | Confident | 78.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -85.5 | -21.6 | -179.3 | -60.8 | 179.8 | 0 | 0 | 0 | 113.7 | L580 A581 Q582 S587 W588 Q598 I601 V602 W628 | L580-L584 PolarHBondContact O-N 3.43Å; A581-L584 PolarHBondContact O-N 3.14Å; Q582-L584 PolarHBondContact O-N 3.31Å; L584-S587 PolarHBondContact O-N 2.96Å; L584-W588 HydrophobicContact CB-CZ2 4.35Å; L584-W588 HydrophobicContact CD1-CZ2 4.17Å; L584-W588 PolarHBondContact O-N 3.47Å; L584-Q598 HydrophobicContact CD2-CB 3.54Å; L584-Q598 HydrophobicContact CD2-CG 3.45Å; L584-Q598 VanDerWaalsContact CD2-CG 3.45Å; L584-I601 HydrophobicContact CD1-CB 4.27Å; L584-I601 HydrophobicContact CD1-CG2 3.68Å; L584-I601 HydrophobicContact CD2-CD1 4.26Å; L584-I601 HydrophobicContact CG-CG2 4.31Å; L584-V602 HydrophobicContact CD1-CG2 3.89Å; L584-W628 HydrophobicContact CB-CZ2 4.04Å; L584-W628 HydrophobicContact CD1-CH2 3.66Å; L584-W628 HydrophobicContact CD1-CZ2 3.81Å |
| 585 | T | 70.5 | Confident | 77.3 | Confident | 26 Ų | 26 | 41.3 Ų | 41.3 | 16% | 0.16 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.6 | -42 | -170.6 | -62.9 | 0 | 0 | 0 | 0 | 114.6 | A581 Q582 W588 Q589 | A581-T585 PolarHBondContact O-N 3.39Å; A581-T585 PolarHBondContact O-OG1 3.4Å; Q582-T585 PolarHBondContact O-N 3.06Å; T585-W588 PolarHBondContact O-N 3.45Å; T585-Q589 HydrophobicContact CG2-CG 4.47Å; T585-Q589 WeakPolarHBondContact O-CG 3.43Å; T585-Q589 PolarHBondContact O-N 3.01Å; T585-Q589 VanDerWaalsContact O-N 3.16Å |
| 586 | P | 67.1 | Low | 76.5 | Confident | 30 Ų | 30 | 46.5 Ų | 46.5 | 20% | 0.195 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 180 | -24.1 | 34.9 | 0 | 0 | 0 | 113.4 | W588 Q589 D590 | P586-W588 PolarHBondContact O-N 3.11Å; P586-W588 VanDerWaalsContact O-N 3.11Å; P586-Q589 WeakPolarHBondContact O-CB 3.38Å; P586-Q589 PolarHBondContact O-N 2.67Å; P586-D590 PolarHBondContact O-N 2.83Å |
| 587 | S | 65.4 | Low | 75.6 | Confident | 19 Ų | 19 | 50.4 Ų | 50.4 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -27.4 | 178.9 | -55.3 | 0 | 0 | 0 | 0 | 112.5 | L584 G591 T592 Q598 | L584-S587 PolarHBondContact O-N 2.96Å; S587-G591 PolarHBondContact O-N 3.32Å; S587-T592 WeakPolarHBondContact CA-OG1 3.35Å; S587-T592 PolarHBondContact O-N 3.27Å; S587-T592 PolarHBondContact O-OG1 3.27Å; S587-Q598 PolarHBondContact OG-NE2 2.99Å |
| 588 | W | 65.9 | Low | 74.9 | Confident | 66 Ų | 66 | 50.8 Ų | 50.8 | 25% | 0.25 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -83.9 | -23.3 | 179.3 | -62.7 | 15.2 | 0 | 0 | 0 | 112.1 | L584 T585 P586 V602 W628 W639 | L584-W588 HydrophobicContact CB-CZ2 4.35Å; L584-W588 HydrophobicContact CD1-CZ2 4.17Å; L584-W588 PolarHBondContact O-N 3.47Å; T585-W588 PolarHBondContact O-N 3.45Å; P586-W588 PolarHBondContact O-N 3.11Å; P586-W588 VanDerWaalsContact O-N 3.11Å; W588-V602 HydrophobicContact CH2-CG2 4.34Å; W588-V602 HydrophobicContact CZ2-CG2 3.77Å; W588-W628 HydrophobicContact CE3-CB 3.67Å; W588-W628 AromaticContact CE3-CD1 3.42Å; W588-W628 VanDerWaalsContact CE3-CD1 3.42Å; W588-W628 AromaticContact CE3-CD2 3.57Å; W588-W628 HydrophobicContact CE3-CD2 3.57Å; W588-W628 AromaticContact CE3-CE2 3.73Å; W588-W628 HydrophobicContact CE3-CE3 4.24Å; W588-W628 AromaticContact CE3-CG 3.31Å; W588-W628 HydrophobicContact CE3-CG 3.31Å; W588-W628 HydrophobicContact CE3-CZ2 4.46Å; W588-W628 AromaticContact CE3-NE1 3.7Å; W588-W628 HydrophobicContact CH2-CB 4.42Å; W588-W628 AromaticContact CH2-CD2 3.24Å; W588-W628 HydrophobicContact CH2-CD2 3.24Å; W588-W628 AromaticContact CH2-CE2 3.53Å; W588-W628 AromaticContact CH2-CE3 3.04Å; W588-W628 HydrophobicContact CH2-CE3 3.04Å; W588-W628 AromaticContact CH2-CG 3.9Å; W588-W628 HydrophobicContact CH2-CG 3.9Å; W588-W628 AromaticContact CH2-CH2 3.46Å; W588-W628 HydrophobicContact CH2-CH2 3.46Å; W588-W628 VanDerWaalsContact CH2-CH2 3.46Å; W588-W628 AromaticContact CH2-CZ2 3.64Å; W588-W628 HydrophobicContact CH2-CZ2 3.64Å; W588-W628 AromaticContact CH2-CZ3 3.17Å; W588-W628 HydrophobicContact CH2-CZ3 3.17Å; W588-W628 HydrophobicContact CZ2-CD2 4.22Å; W588-W628 HydrophobicContact CZ2-CE3 4.16Å; W588-W628 AromaticContact CZ2-CH2 3.81Å; W588-W628 HydrophobicContact CZ2-CH2 3.81Å; W588-W628 AromaticContact CZ2-CZ2 3.88Å; W588-W628 HydrophobicContact CZ2-CZ2 3.88Å; W588-W628 AromaticContact CZ2-CZ3 3.96Å; W588-W628 HydrophobicContact CZ2-CZ3 3.96Å; W588-W628 HydrophobicContact CZ3-CB 3.3Å; W588-W628 AromaticContact CZ3-CD1 3.6Å; W588-W628 AromaticContact CZ3-CD2 2.87Å; W588-W628 HydrophobicContact CZ3-CD2 2.87Å; W588-W628 AromaticContact CZ3-CE2 3.38Å; W588-W628 AromaticContact CZ3-CE3 3.14Å; W588-W628 HydrophobicContact CZ3-CE3 3.14Å; W588-W628 AromaticContact CZ3-CG 3Å; W588-W628 HydrophobicContact CZ3-CG 3Å; W588-W628 HydrophobicContact CZ3-CH2 4.18Å; W588-W628 AromaticContact CZ3-CZ2 4Å; W588-W628 HydrophobicContact CZ3-CZ2 4Å; W588-W628 AromaticContact CZ3-CZ3 3.8Å; W588-W628 HydrophobicContact CZ3-CZ3 3.8Å; W588-W628 AromaticContact CZ3-NE1 3.82Å; W588-W639 HydrophobicContact CH2-CZ2 4.24Å; W588-W639 AromaticContact CZ3-CZ2 3.99Å; W588-W639 HydrophobicContact CZ3-CZ2 3.99Å |
| 589 | Q | 62.9 | Low | 74.4 | Confident | 128 Ų | 128 | 53.1 Ų | 53.1 | 60% | 0.598 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -77.4 | -38.4 | 173.6 | -72.7 | 176 | -23.4 | 0 | 0 | 111.6 | T585 P586 G591 | T585-Q589 HydrophobicContact CG2-CG 4.47Å; T585-Q589 WeakPolarHBondContact O-CG 3.43Å; T585-Q589 PolarHBondContact O-N 3.01Å; T585-Q589 VanDerWaalsContact O-N 3.16Å; P586-Q589 WeakPolarHBondContact O-CB 3.38Å; P586-Q589 PolarHBondContact O-N 2.67Å; Q589-G591 VanDerWaalsContact C-N 3.34Å |
| 590 | D | 61.7 | Low | 74 | Confident | 125 Ų | 125 | 56.1 Ų | 56.1 | 67% | 0.668 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -5 | -176.6 | -62.4 | -27.6 | 0 | 0 | 0 | 113.2 | P586 T592 | P586-D590 PolarHBondContact O-N 2.83Å; D590-T592 HydrophobicContact CB-CG2 4.08Å; D590-T592 PolarHBondContact O-N 2.97Å |
| 591 | G | 62.1 | Low | 73.8 | Confident | 62 Ų | 62 | 56.2 Ų | 56.2 | 64% | 0.639 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 19.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S587 Q589 | S587-G591 PolarHBondContact O-N 3.32Å; Q589-G591 VanDerWaalsContact C-N 3.34Å |
| 592 | T | 67.8 | Low | 73.6 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 38% | 0.38 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 148.6 | 179.2 | 50.5 | 0 | 0 | 0 | 0 | 110.7 | S587 D590 | S587-T592 WeakPolarHBondContact CA-OG1 3.35Å; S587-T592 PolarHBondContact O-N 3.27Å; S587-T592 PolarHBondContact O-OG1 3.27Å; D590-T592 HydrophobicContact CB-CG2 4.08Å; D590-T592 PolarHBondContact O-N 2.97Å |
| 593 | A | 70.3 | Confident | 73.7 | Confident | 94 Ų | 94 | 56.7 Ų | 56.7 | 78% | 0.777 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 138.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 594 | L | 68.7 | Low | 74.1 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 140 | 178.3 | -66.2 | 172.1 | 0 | 0 | 0 | 110.2 | Q598 E599 | L594-Q598 HydrophobicContact CB-CB 4.09Å; L594-Q598 HydrophobicContact CD2-CB 3.93Å; L594-E599 HydrophobicContact CB-CG 3.91Å; L594-E599 HydrophobicContact CD1-CG 4.47Å |
| 595 | T | 77.9 | Confident | 74.6 | Confident | 74 Ų | 74 | 59.8 Ų | 59.8 | 45% | 0.454 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 159.4 | 168.2 | 71.9 | 0 | 0 | 0 | 0 | 109.9 | E597 Q598 E599 | T595-E597 PolarHBondContact O-N 3.47Å; T595-Q598 WeakPolarHBondContact O-CA 3.45Å; T595-Q598 WeakPolarHBondContact O-CB 3.36Å; T595-Q598 PolarHBondContact O-N 3Å; T595-Q598 WeakPolarHBondContact OG1-CG 3.2Å; T595-Q598 PolarHBondContact OG1-N 2.98Å; T595-E599 PolarHBondContact O-N 3.28Å |
| 596 | Q | 77.9 | Confident | 75.1 | Confident | 126 Ų | 126 | 61.2 Ų | 61.2 | 59% | 0.589 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -52.3 | -41.1 | 176 | -175 | 62.5 | 57.4 | 0 | 0 | 112 | Q598 E599 D600 | Q596-Q598 PolarHBondContact O-N 3.21Å; Q596-E599 PolarHBondContact O-N 3.42Å; Q596-D600 PolarHBondContact NE2-OD1 3.07Å; Q596-D600 PolarHBondContact O-N 3.28Å |
| 597 | E | 78.8 | Confident | 76 | Confident | 82 Ų | 82 | 64.2 Ų | 64.2 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -35.2 | 177.8 | -174.1 | 178.6 | -146.5 | 0 | 0 | 112.4 | V558 K562 T595 I601 | V558-E597 WeakPolarHBondContact CG1-OE1 3.48Å; K562-E597 IonicContact NZ-OE1 2.65Å; T595-E597 PolarHBondContact O-N 3.47Å; E597-I601 HydrophobicContact CG-CD1 4.45Å; E597-I601 WeakPolarHBondContact O-CD1 3.37Å; E597-I601 VanDerWaalsContact O-CG1 3.25Å; E597-I601 WeakPolarHBondContact O-CG1 3.42Å; E597-I601 PolarHBondContact O-N 3.33Å; E597-I601 VanDerWaalsContact O-N 3.17Å |
| 598 | Q | 79.2 | Confident | 76.9 | Confident | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.033 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -75 | -38.8 | 178.9 | -66.3 | 178.9 | -49.4 | 0 | 0 | 112 | L584 S587 L594 T595 Q596 D600 I601 V602 | L584-Q598 HydrophobicContact CD2-CB 3.54Å; L584-Q598 HydrophobicContact CD2-CG 3.45Å; L584-Q598 VanDerWaalsContact CD2-CG 3.45Å; S587-Q598 PolarHBondContact OG-NE2 2.99Å; L594-Q598 HydrophobicContact CB-CB 4.09Å; L594-Q598 HydrophobicContact CD2-CB 3.93Å; T595-Q598 WeakPolarHBondContact O-CA 3.45Å; T595-Q598 WeakPolarHBondContact O-CB 3.36Å; T595-Q598 PolarHBondContact O-N 3Å; T595-Q598 WeakPolarHBondContact OG1-CG 3.2Å; T595-Q598 PolarHBondContact OG1-N 2.98Å; Q596-Q598 PolarHBondContact O-N 3.21Å; Q598-D600 VanDerWaalsContact C-N 3.33Å; Q598-I601 PolarHBondContact O-N 3.3Å; Q598-V602 WeakPolarHBondContact O-CG2 3.48Å; Q598-V602 PolarHBondContact O-N 3.18Å |
| 599 | E | 79.9 | Confident | 77.7 | Confident | 93 Ų | 93 | 61.8 Ų | 61.8 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 172.7 | -66.3 | -171.7 | 162.3 | 0 | 0 | 111.7 | L594 T595 Q596 I601 V602 T603 | L594-E599 HydrophobicContact CB-CG 3.91Å; L594-E599 HydrophobicContact CD1-CG 4.47Å; T595-E599 PolarHBondContact O-N 3.28Å; Q596-E599 PolarHBondContact O-N 3.42Å; E599-I601 VanDerWaalsContact C-N 3.35Å; E599-I601 PolarHBondContact O-N 2.97Å; E599-V602 PolarHBondContact O-N 2.91Å; E599-T603 PolarHBondContact O-N 3.16Å; E599-T603 PolarHBondContact O-OG1 2.9Å |
| 600 | D | 84.7 | Confident | 78.5 | Confident | 65 Ų | 65 | 62.1 Ų | 62.1 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 175.3 | -64.7 | -11.7 | 0 | 0 | 0 | 111.2 | Q596 Q598 T603 Q604 | Q596-D600 PolarHBondContact NE2-OD1 3.07Å; Q596-D600 PolarHBondContact O-N 3.28Å; Q598-D600 VanDerWaalsContact C-N 3.33Å; D600-T603 PolarHBondContact O-N 3.11Å; D600-Q604 WeakPolarHBondContact O-CG 3.49Å; D600-Q604 PolarHBondContact O-N 3.48Å |
| 601 | I | 84.5 | Confident | 79.5 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 175.9 | -67.9 | 163 | 0 | 0 | 0 | 110.3 | V558 K562 L580 L584 E597 Q598 E599 T603 Q604 L605 | V558-I601 HydrophobicContact CG1-CD1 3.98Å; K562-I601 VanDerWaalsContact CE-CG1 3.43Å; L580-I601 HydrophobicContact CB-CG2 3.94Å; L580-I601 HydrophobicContact CD1-CG2 4.37Å; L580-I601 HydrophobicContact CD2-CD1 4.15Å; L580-I601 HydrophobicContact CD2-CG1 4.33Å; L580-I601 HydrophobicContact CD2-CG2 4.31Å; L580-I601 HydrophobicContact CG-CG2 4.44Å; L584-I601 HydrophobicContact CD1-CB 4.27Å; L584-I601 HydrophobicContact CD1-CG2 3.68Å; L584-I601 HydrophobicContact CD2-CD1 4.26Å; L584-I601 HydrophobicContact CG-CG2 4.31Å; E597-I601 HydrophobicContact CG-CD1 4.45Å; E597-I601 WeakPolarHBondContact O-CD1 3.37Å; E597-I601 VanDerWaalsContact O-CG1 3.25Å; E597-I601 WeakPolarHBondContact O-CG1 3.42Å; E597-I601 PolarHBondContact O-N 3.33Å; E597-I601 VanDerWaalsContact O-N 3.17Å; Q598-I601 PolarHBondContact O-N 3.3Å; E599-I601 VanDerWaalsContact C-N 3.35Å; E599-I601 PolarHBondContact O-N 2.97Å; I601-T603 VanDerWaalsContact C-N 3.27Å; I601-T603 PolarHBondContact O-N 3.03Å; I601-Q604 PolarHBondContact O-N 3.07Å; I601-L605 HydrophobicContact CG2-CD1 4.2Å; I601-L605 HydrophobicContact CG2-CG 4.36Å; I601-L605 VanDerWaalsContact O-CG 3.32Å; I601-L605 WeakPolarHBondContact O-CG 3.27Å; I601-L605 PolarHBondContact O-N 3.07Å |
| 602 | V | 83.5 | Confident | 80.5 | Confident | 18 Ų | 18 | 61.5 Ų | 61.5 | 11% | 0.109 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | L584 W588 Q598 E599 L605 Q606 W642 | L584-V602 HydrophobicContact CD1-CG2 3.89Å; W588-V602 HydrophobicContact CH2-CG2 4.34Å; W588-V602 HydrophobicContact CZ2-CG2 3.77Å; Q598-V602 WeakPolarHBondContact O-CG2 3.48Å; Q598-V602 PolarHBondContact O-N 3.18Å; E599-V602 PolarHBondContact O-N 2.91Å; V602-L605 PolarHBondContact O-N 3.48Å; V602-Q606 WeakPolarHBondContact O-CG 3.39Å; V602-Q606 PolarHBondContact O-N 3.14Å; V602-W642 HydrophobicContact CG1-CH2 3.63Å; V602-W642 HydrophobicContact CG1-CZ2 4.02Å |
| 603 | T | 84.4 | Confident | 81.2 | Confident | 63 Ų | 63 | 63.5 Ų | 63.5 | 39% | 0.387 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 178.1 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | E599 D600 I601 L605 Q606 E607 | E599-T603 PolarHBondContact O-N 3.16Å; E599-T603 PolarHBondContact O-OG1 2.9Å; D600-T603 PolarHBondContact O-N 3.11Å; I601-T603 VanDerWaalsContact C-N 3.27Å; I601-T603 PolarHBondContact O-N 3.03Å; T603-L605 VanDerWaalsContact C-N 3.33Å; T603-L605 PolarHBondContact O-N 3.21Å; T603-Q606 WeakPolarHBondContact O-CB 3.41Å; T603-Q606 PolarHBondContact O-N 3Å; T603-Q606 VanDerWaalsContact O-N 3.13Å; T603-E607 WeakPolarHBondContact O-CG 3.32Å; T603-E607 PolarHBondContact O-N 3.39Å |
| 604 | Q | 86.7 | Confident | 82 | Confident | 54 Ų | 54 | 62.1 Ų | 62.1 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 176.8 | -71.5 | 177 | 0.8 | 0 | 0 | 112.6 | L565 D600 I601 Q606 E607 V608 | L565-Q604 HydrophobicContact CD1-CB 4.08Å; D600-Q604 WeakPolarHBondContact O-CG 3.49Å; D600-Q604 PolarHBondContact O-N 3.48Å; I601-Q604 PolarHBondContact O-N 3.07Å; Q604-Q606 VanDerWaalsContact C-N 3.31Å; Q604-Q606 PolarHBondContact O-N 3.42Å; Q604-E607 PolarHBondContact O-N 2.85Å; Q604-V608 WeakPolarHBondContact O-CG2 3.49Å; Q604-V608 PolarHBondContact O-N 2.86Å |
| 605 | L | 86.8 | Confident | 82.6 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.5 | -33.7 | 176.1 | -66.1 | -178.1 | 0 | 0 | 0 | 112.4 | L565 I577 I601 V602 T603 L609 W628 | L565-L605 HydrophobicContact CD2-CD2 4.26Å; I577-L605 HydrophobicContact CB-CD2 3.98Å; I577-L605 HydrophobicContact CG1-CD2 3.71Å; I577-L605 HydrophobicContact CG2-CD2 3.8Å; I601-L605 HydrophobicContact CG2-CD1 4.2Å; I601-L605 HydrophobicContact CG2-CG 4.36Å; I601-L605 VanDerWaalsContact O-CG 3.32Å; I601-L605 WeakPolarHBondContact O-CG 3.27Å; I601-L605 PolarHBondContact O-N 3.07Å; V602-L605 PolarHBondContact O-N 3.48Å; T603-L605 VanDerWaalsContact C-N 3.33Å; T603-L605 PolarHBondContact O-N 3.21Å; L605-L609 PolarHBondContact O-N 3.42Å; L605-L609 VanDerWaalsContact O-N 3.13Å; L605-W628 HydrophobicContact CD1-CH2 3.72Å; L605-W628 HydrophobicContact CD1-CZ3 4.24Å |
| 606 | Q | 81.4 | Confident | 83 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67 | -44.9 | 172 | -67.7 | -178.9 | -64.2 | 0 | 0 | 111.4 | V602 T603 Q604 V608 L609 F610 W642 | V602-Q606 WeakPolarHBondContact O-CG 3.39Å; V602-Q606 PolarHBondContact O-N 3.14Å; T603-Q606 WeakPolarHBondContact O-CB 3.41Å; T603-Q606 PolarHBondContact O-N 3Å; T603-Q606 VanDerWaalsContact O-N 3.13Å; Q604-Q606 VanDerWaalsContact C-N 3.31Å; Q604-Q606 PolarHBondContact O-N 3.42Å; Q606-V608 VanDerWaalsContact C-N 3.26Å; Q606-V608 PolarHBondContact O-N 3.21Å; Q606-L609 WeakPolarHBondContact O-CB 3.28Å; Q606-L609 PolarHBondContact O-N 3.19Å; Q606-F610 HydrophobicContact CB-CD2 4.4Å; Q606-F610 HydrophobicContact CB-CE2 4.33Å; Q606-F610 WeakPolarHBondContact O-CD2 3.38Å; Q606-F610 PolarHBondContact O-N 3.45Å; Q606-W642 HydrophobicContact CG-CH2 3.56Å; Q606-W642 HydrophobicContact CG-CZ2 4.28Å; Q606-W642 HydrophobicContact CG-CZ3 4.12Å |
| 607 | E | 85.6 | Confident | 83.4 | Confident | 94 Ų | 94 | 55.2 Ų | 55.2 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.7 | -44.4 | 176.6 | -72.2 | 174.8 | 173.1 | 0 | 0 | 110.9 | T603 Q604 L609 F610 Q611 | T603-E607 WeakPolarHBondContact O-CG 3.32Å; T603-E607 PolarHBondContact O-N 3.39Å; Q604-E607 PolarHBondContact O-N 2.85Å; E607-L609 PolarHBondContact O-N 2.93Å; E607-F610 PolarHBondContact O-N 3.24Å; E607-Q611 WeakPolarHBondContact O-CA 3.19Å; E607-Q611 VanDerWaalsContact O-CB 3.26Å; E607-Q611 WeakPolarHBondContact O-CB 3.46Å; E607-Q611 PolarHBondContact O-N 3.2Å |
| 608 | V | 84.7 | Confident | 83.7 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 174.1 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | I577 Q604 Q606 F610 D612 A617 | I577-V608 HydrophobicContact CD1-CB 4.39Å; I577-V608 HydrophobicContact CD1-CG1 3.48Å; I577-V608 VanDerWaalsContact CD1-CG1 3.48Å; I577-V608 HydrophobicContact CG1-CG1 4.46Å; Q604-V608 WeakPolarHBondContact O-CG2 3.49Å; Q604-V608 PolarHBondContact O-N 2.86Å; Q606-V608 VanDerWaalsContact C-N 3.26Å; Q606-V608 PolarHBondContact O-N 3.21Å; V608-F610 VanDerWaalsContact C-N 3.28Å; V608-F610 PolarHBondContact O-N 2.94Å; V608-D612 HydrophobicContact CB-CB 4.45Å; V608-D612 HydrophobicContact CG1-CB 3.82Å; V608-D612 WeakPolarHBondContact O-CB 3.19Å; V608-D612 PolarHBondContact O-N 2.89Å; V608-A617 HydrophobicContact CG1-CB 3.88Å |
| 609 | L | 82.6 | Confident | 84 | Confident | 20 Ų | 20 | 61.6 Ų | 61.6 | 11% | 0.105 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.5 | -40 | 178.8 | 180 | 62 | 0 | 0 | 0 | 112.6 | L605 Q606 E607 A621 V622 F648 L651 | L605-L609 PolarHBondContact O-N 3.42Å; L605-L609 VanDerWaalsContact O-N 3.13Å; Q606-L609 WeakPolarHBondContact O-CB 3.28Å; Q606-L609 PolarHBondContact O-N 3.19Å; E607-L609 PolarHBondContact O-N 2.93Å; L609-A621 HydrophobicContact CB-CB 4.16Å; L609-A621 HydrophobicContact CD1-CB 4.41Å; L609-V622 HydrophobicContact CD1-CG2 3.4Å; L609-F648 HydrophobicContact CD2-CE1 4.18Å; L609-F648 HydrophobicContact CD2-CZ 3.72Å; L609-L651 HydrophobicContact CD1-CD2 4.17Å |
| 610 | F | 78.8 | Confident | 84.3 | Confident | 135 Ų | 135 | 57.7 Ų | 57.7 | 59% | 0.592 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -89.5 | -32.1 | -175.7 | -68.8 | -66.4 | 0 | 0 | 0 | 114.3 | Q606 E607 V608 | Q606-F610 HydrophobicContact CB-CD2 4.4Å; Q606-F610 HydrophobicContact CB-CE2 4.33Å; Q606-F610 WeakPolarHBondContact O-CD2 3.38Å; Q606-F610 PolarHBondContact O-N 3.45Å; E607-F610 PolarHBondContact O-N 3.24Å; V608-F610 VanDerWaalsContact C-N 3.28Å; V608-F610 PolarHBondContact O-N 2.94Å |
| 611 | Q | 83.8 | Confident | 84.3 | Confident | 154 Ų | 154 | 54.7 Ų | 54.7 | 72% | 0.72 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -121.8 | -16.3 | -163.9 | -54.4 | -174.8 | 8.5 | 0 | 0 | 114.4 | E607 S613 | E607-Q611 WeakPolarHBondContact O-CA 3.19Å; E607-Q611 VanDerWaalsContact O-CB 3.26Å; E607-Q611 WeakPolarHBondContact O-CB 3.46Å; E607-Q611 PolarHBondContact O-N 3.2Å; Q611-S613 PolarHBondContact O-N 3.31Å |
| 612 | D | 83.8 | Confident | 84 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | trans | -63.4 | 134.1 | 179.2 | -165.6 | -56.7 | 0 | 0 | 0 | 110 | R573 V608 E614 A617 R618 | R573-D612 IonicContact CZ-OD1 2.62Å; R573-D612 IonicContact CZ-OD2 2.78Å; R573-D612 IonicContact NE-OD1 2.86Å; R573-D612 IonicContact NE-OD2 2.76Å; R573-D612 PolarHBondContact NE-OD2 2.65Å; R573-D612 IonicContact NH2-OD1 3.23Å; R573-D612 PolarHBondContact NH2-OD1 3.31Å; R573-D612 IonicContact NH2-OD2 3.81Å; R573-D612 PolarHBondContact NH2-OD2 3.39Å; V608-D612 HydrophobicContact CB-CB 4.45Å; V608-D612 HydrophobicContact CG1-CB 3.82Å; V608-D612 WeakPolarHBondContact O-CB 3.19Å; V608-D612 PolarHBondContact O-N 2.89Å; D612-E614 VanDerWaalsContact C-N 3.33Å; D612-E614 PolarHBondContact O-N 3Å; D612-E614 PolarHBondContact OD1-N 3.48Å; D612-A617 HydrophobicContact CB-CB 4.46Å; D612-A617 WeakPolarHBondContact OD2-CB 3.27Å; D612-R618 HydrophobicContact CB-CG 4.12Å; D612-R618 PolarHBondContact O-NH1 2.83Å | ||
| 613 | S | 82.4 | Confident | 84 | Confident | 103 Ų | 103 | 61 Ų | 61 | 72% | 0.72 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -73.6 | -24.5 | -176.1 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | Q611 R618 | Q611-S613 PolarHBondContact O-N 3.31Å; S613-R618 PolarHBondContact O-NH1 3.49Å |
| 614 | E | 85.9 | Confident | 83.9 | Confident | 66 Ų | 66 | 58.3 Ų | 58.3 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -107.6 | 148.8 | -170.8 | -63.5 | -175.6 | 84.3 | 0 | 0 | 113.8 | S570 R573 D612 R618 | S570-E614 WeakPolarHBondContact CB-OE1 3.39Å; S570-E614 WeakPolarHBondContact CB-OE2 3.43Å; S570-E614 PolarHBondContact N-OE2 2.93Å; S570-E614 VanDerWaalsContact OG-CD 3.27Å; S570-E614 PolarHBondContact OG-OE1 3.37Å; S570-E614 PolarHBondContact OG-OE2 3.07Å; R573-E614 IonicContact CZ-OE2 2.83Å; R573-E614 IonicContact NH1-OE2 3.71Å; R573-E614 PolarHBondContact NH1-OE2 3.38Å; R573-E614 IonicContact NH2-OE2 3.71Å; R573-E614 PolarHBondContact NH2-OE2 3.11Å; D612-E614 VanDerWaalsContact C-N 3.33Å; D612-E614 PolarHBondContact O-N 3Å; D612-E614 PolarHBondContact OD1-N 3.48Å; E614-R618 PolarHBondContact O-NH1 3.47Å |
| 615 | G | 80.7 | Confident | 83.5 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 22% | 0.216 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.8 | -29 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R619 | G615-R619 WeakPolarHBondContact O-CB 3.41Å; G615-R619 VanDerWaalsContact O-CG 3.31Å; G615-R619 WeakPolarHBondContact O-CG 3.27Å; G615-R619 PolarHBondContact O-N 3.09Å |
| 616 | F | 85.9 | Confident | 83 | Confident | 82 Ų | 82 | 60.2 Ų | 60.2 | 36% | 0.36 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67 | -47.6 | -175.6 | -71.4 | -82 | 0 | 0 | 0 | 112.3 | Y571 A574 R619 A620 | Y571-F616 HydrophobicContact CD1-CD1 4.4Å; Y571-F616 AromaticContact CE1-CD1 3.89Å; Y571-F616 HydrophobicContact CE1-CD1 3.89Å; Y571-F616 HydrophobicContact CE1-CD2 4.44Å; Y571-F616 AromaticContact CE1-CE1 3.72Å; Y571-F616 HydrophobicContact CE1-CE1 3.72Å; Y571-F616 HydrophobicContact CE1-CE2 4.28Å; Y571-F616 HydrophobicContact CE1-CG 4.28Å; Y571-F616 AromaticContact CE1-CZ 3.94Å; Y571-F616 HydrophobicContact CE1-CZ 3.94Å; Y571-F616 HydrophobicContact CE2-CE2 4.33Å; Y571-F616 AromaticContact CZ-CE1 4Å; Y571-F616 AromaticContact CZ-CE2 3.81Å; Y571-F616 AromaticContact CZ-CZ 3.7Å; Y571-F616 WeakPolarHBondContact OH-CZ 3.4Å; A574-F616 HydrophobicContact CB-CB 4.35Å; F616-R619 PolarHBondContact O-N 3.31Å; F616-A620 PolarHBondContact O-N 3.48Å |
| 617 | A | 88.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R573 I577 V608 D612 R619 A620 A621 | R573-A617 HydrophobicContact CB-CB 4.1Å; I577-A617 HydrophobicContact CD1-CB 3.94Å; I577-A617 VanDerWaalsContact CD1-O 3.26Å; I577-A617 WeakPolarHBondContact CD1-O 3.46Å; V608-A617 HydrophobicContact CG1-CB 3.88Å; D612-A617 HydrophobicContact CB-CB 4.46Å; D612-A617 WeakPolarHBondContact OD2-CB 3.27Å; A617-R619 VanDerWaalsContact C-N 3.34Å; A617-R619 PolarHBondContact O-N 3.48Å; A617-A620 WeakPolarHBondContact O-CB 3.39Å; A617-A620 PolarHBondContact O-N 2.78Å; A617-A620 VanDerWaalsContact O-N 3.15Å; A617-A621 PolarHBondContact O-N 3.24Å |
| 618 | R | 84.8 | Confident | 82.1 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.7 | -44.5 | 174.6 | -64.9 | -166.1 | -57.2 | -93.9 | 0.3 | 112.2 | D612 S613 E614 A620 A621 V622 | D612-R618 HydrophobicContact CB-CG 4.12Å; D612-R618 PolarHBondContact O-NH1 2.83Å; S613-R618 PolarHBondContact O-NH1 3.49Å; E614-R618 PolarHBondContact O-NH1 3.47Å; R618-A620 VanDerWaalsContact C-N 3.34Å; R618-A620 PolarHBondContact O-N 3.38Å; R618-A621 PolarHBondContact O-N 2.98Å; R618-V622 WeakPolarHBondContact O-CG2 3.34Å; R618-V622 PolarHBondContact O-N 2.78Å |
| 619 | R | 84.8 | Confident | 81.3 | Confident | 130 Ų | 130 | 59.8 Ų | 59.8 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 176.6 | -78.5 | -171.9 | -63.3 | -97.3 | 3.1 | 112.3 | G615 F616 A617 V622 K623 | G615-R619 WeakPolarHBondContact O-CB 3.41Å; G615-R619 VanDerWaalsContact O-CG 3.31Å; G615-R619 WeakPolarHBondContact O-CG 3.27Å; G615-R619 PolarHBondContact O-N 3.09Å; F616-R619 PolarHBondContact O-N 3.31Å; A617-R619 VanDerWaalsContact C-N 3.34Å; A617-R619 PolarHBondContact O-N 3.48Å; R619-V622 PolarHBondContact O-N 3.34Å; R619-K623 WeakPolarHBondContact O-CB 3.23Å; R619-K623 PolarHBondContact O-N 2.79Å |
| 620 | A | 85.6 | Confident | 80.1 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 8% | 0.083 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | A574 I577 F616 A617 R618 V622 K623 V624 | A574-A620 HydrophobicContact CB-CB 3.92Å; I577-A620 HydrophobicContact CB-CB 4.17Å; I577-A620 HydrophobicContact CD1-CB 4.22Å; I577-A620 HydrophobicContact CG2-CB 3.99Å; F616-A620 PolarHBondContact O-N 3.48Å; A617-A620 WeakPolarHBondContact O-CB 3.39Å; A617-A620 PolarHBondContact O-N 2.78Å; A617-A620 VanDerWaalsContact O-N 3.15Å; R618-A620 VanDerWaalsContact C-N 3.34Å; R618-A620 PolarHBondContact O-N 3.38Å; A620-V622 VanDerWaalsContact C-N 3.34Å; A620-V622 PolarHBondContact O-N 3.47Å; A620-K623 WeakPolarHBondContact O-CB 3.39Å; A620-K623 PolarHBondContact O-N 2.86Å; A620-V624 WeakPolarHBondContact O-CG2 3.48Å; A620-V624 PolarHBondContact O-N 2.67Å |
| 621 | A | 84.9 | Confident | 79 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 2% | 0.017 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I577 L609 A617 R618 S625 | I577-A621 HydrophobicContact CD1-CB 4.47Å; I577-A621 HydrophobicContact CG2-CB 4.31Å; L609-A621 HydrophobicContact CB-CB 4.16Å; L609-A621 HydrophobicContact CD1-CB 4.41Å; A617-A621 PolarHBondContact O-N 3.24Å; R618-A621 PolarHBondContact O-N 2.98Å; A621-S625 WeakPolarHBondContact O-CB 3.43Å; A621-S625 PolarHBondContact O-N 3.35Å; A621-S625 PolarHBondContact O-OG 3.22Å |
| 622 | V | 79.6 | Confident | 77.2 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 173.7 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | L609 R618 R619 A620 V624 S625 L626 L651 I655 | L609-V622 HydrophobicContact CD1-CG2 3.4Å; R618-V622 WeakPolarHBondContact O-CG2 3.34Å; R618-V622 PolarHBondContact O-N 2.78Å; R619-V622 PolarHBondContact O-N 3.34Å; A620-V622 VanDerWaalsContact C-N 3.34Å; A620-V622 PolarHBondContact O-N 3.47Å; V622-V624 VanDerWaalsContact C-N 3.29Å; V622-V624 PolarHBondContact O-N 2.69Å; V622-S625 WeakPolarHBondContact O-CB 3.27Å; V622-S625 PolarHBondContact O-N 3.04Å; V622-S625 VanDerWaalsContact O-N 3.15Å; V622-L626 HydrophobicContact CG1-CD1 3.86Å; V622-L626 HydrophobicContact CG1-CG 4.12Å; V622-L626 WeakPolarHBondContact O-CB 3.34Å; V622-L626 WeakPolarHBondContact O-CG 3.47Å; V622-L626 PolarHBondContact O-N 3.49Å; V622-L651 HydrophobicContact CG2-CD2 3.42Å; V622-L651 VanDerWaalsContact CG2-CD2 3.42Å; V622-L651 HydrophobicContact CG2-CG 4.47Å; V622-I655 HydrophobicContact CB-CD1 4.12Å; V622-I655 HydrophobicContact CG1-CD1 3.55Å; V622-I655 HydrophobicContact CG2-CD1 4.11Å |
| 623 | K | 81.9 | Confident | 75.1 | Confident | 139 Ų | 139 | 65.2 Ų | 65.2 | 60% | 0.604 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.2 | -45.1 | 180 | -176.1 | -179.1 | 179 | -176.3 | 0 | 111.1 | R619 A620 L626 I627 | R619-K623 WeakPolarHBondContact O-CB 3.23Å; R619-K623 PolarHBondContact O-N 2.79Å; A620-K623 WeakPolarHBondContact O-CB 3.39Å; A620-K623 PolarHBondContact O-N 2.86Å; K623-L626 PolarHBondContact O-N 3.34Å; K623-I627 HydrophobicContact CG-CD1 4.19Å; K623-I627 VanDerWaalsContact O-CG1 3.3Å; K623-I627 WeakPolarHBondContact O-CG1 3.35Å; K623-I627 PolarHBondContact O-N 2.8Å |
| 624 | V | 82.4 | Confident | 73 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 5% | 0.048 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 175.1 | 164.8 | 0 | 0 | 0 | 0 | 111.2 | I577 A581 A620 V622 L626 I627 W628 | I577-V624 HydrophobicContact CG2-CG2 4.07Å; A581-V624 HydrophobicContact CB-CB 4.09Å; A581-V624 HydrophobicContact CB-CG1 3.39Å; A581-V624 HydrophobicContact CB-CG2 3.49Å; A581-V624 VanDerWaalsContact CB-CG2 3.49Å; A620-V624 WeakPolarHBondContact O-CG2 3.48Å; A620-V624 PolarHBondContact O-N 2.67Å; V622-V624 VanDerWaalsContact C-N 3.29Å; V622-V624 PolarHBondContact O-N 2.69Å; V624-L626 VanDerWaalsContact C-N 3.26Å; V624-L626 PolarHBondContact O-N 3.01Å; V624-I627 PolarHBondContact O-N 3.07Å; V624-I627 VanDerWaalsContact O-N 3.11Å; V624-W628 HydrophobicContact CG1-CD2 3.56Å; V624-W628 HydrophobicContact CG1-CE3 3.5Å; V624-W628 HydrophobicContact CG1-CH2 3.47Å; V624-W628 VanDerWaalsContact CG1-CH2 3.47Å; V624-W628 HydrophobicContact CG1-CZ2 3.49Å; V624-W628 VanDerWaalsContact CG1-CZ2 3.49Å; V624-W628 HydrophobicContact CG1-CZ3 3.46Å; V624-W628 VanDerWaalsContact CG1-CZ3 3.46Å; V624-W628 VanDerWaalsContact O-CG 3.29Å; V624-W628 PolarHBondContact O-N 2.82Å |
| 625 | S | 77.9 | Confident | 70.8 | Confident | 21 Ų | 21 | 71.3 Ų | 71.3 | 15% | 0.147 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.6 | -37.8 | 178.1 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | A621 V622 T629 | A621-S625 WeakPolarHBondContact O-CB 3.43Å; A621-S625 PolarHBondContact O-N 3.35Å; A621-S625 PolarHBondContact O-OG 3.22Å; V622-S625 WeakPolarHBondContact O-CB 3.27Å; V622-S625 PolarHBondContact O-N 3.04Å; V622-S625 VanDerWaalsContact O-N 3.15Å; S625-T629 WeakPolarHBondContact O-CB 3.04Å; S625-T629 VanDerWaalsContact O-CG2 3.31Å; S625-T629 WeakPolarHBondContact O-CG2 3.45Å; S625-T629 PolarHBondContact O-N 3.25Å; S625-T629 PolarHBondContact O-OG1 3.09Å |
| 626 | L | 76.4 | Confident | 68.6 | Low | 84 Ų | 84 | 73.7 Ų | 73.7 | 44% | 0.44 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69 | -41.1 | 175.1 | -72.7 | 173.8 | 0 | 0 | 0 | 112.6 | V622 K623 V624 W628 T629 G630 | V622-L626 HydrophobicContact CG1-CD1 3.86Å; V622-L626 HydrophobicContact CG1-CG 4.12Å; V622-L626 WeakPolarHBondContact O-CB 3.34Å; V622-L626 WeakPolarHBondContact O-CG 3.47Å; V622-L626 PolarHBondContact O-N 3.49Å; K623-L626 PolarHBondContact O-N 3.34Å; V624-L626 VanDerWaalsContact C-N 3.26Å; V624-L626 PolarHBondContact O-N 3.01Å; L626-W628 PolarHBondContact O-N 3.41Å; L626-T629 WeakPolarHBondContact CA-OG1 3.38Å; L626-T629 PolarHBondContact O-N 2.9Å; L626-T629 PolarHBondContact O-OG1 2.91Å; L626-G630 PolarHBondContact O-N 3.21Å |
| 627 | I | 75.5 | Confident | 66.1 | Low | 74 Ų | 74 | 80.7 Ų | 80.7 | 38% | 0.379 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 176.3 | -71.9 | 164.2 | 0 | 0 | 0 | 110 | K623 V624 R631 | K623-I627 HydrophobicContact CG-CD1 4.19Å; K623-I627 VanDerWaalsContact O-CG1 3.3Å; K623-I627 WeakPolarHBondContact O-CG1 3.35Å; K623-I627 PolarHBondContact O-N 2.8Å; V624-I627 PolarHBondContact O-N 3.07Å; V624-I627 VanDerWaalsContact O-N 3.11Å; I627-R631 VanDerWaalsContact O-CG 3.3Å; I627-R631 WeakPolarHBondContact O-CG 3.41Å; I627-R631 PolarHBondContact O-N 3.44Å |
| 628 | W | 74.3 | Confident | 63.7 | Low | 26 Ų | 26 | 84 Ų | 84 | 10% | 0.098 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -70.5 | -42.7 | -180 | -66.6 | -27.4 | 0 | 0 | 0 | 113.7 | A581 L584 W588 L605 V624 L626 R631 | A581-W628 HydrophobicContact CB-CH2 4.38Å; A581-W628 HydrophobicContact CB-CZ2 3.72Å; L584-W628 HydrophobicContact CB-CZ2 4.04Å; L584-W628 HydrophobicContact CD1-CH2 3.66Å; L584-W628 HydrophobicContact CD1-CZ2 3.81Å; W588-W628 HydrophobicContact CE3-CB 3.67Å; W588-W628 AromaticContact CE3-CD1 3.42Å; W588-W628 VanDerWaalsContact CE3-CD1 3.42Å; W588-W628 AromaticContact CE3-CD2 3.57Å; W588-W628 HydrophobicContact CE3-CD2 3.57Å; W588-W628 AromaticContact CE3-CE2 3.73Å; W588-W628 HydrophobicContact CE3-CE3 4.24Å; W588-W628 AromaticContact CE3-CG 3.31Å; W588-W628 HydrophobicContact CE3-CG 3.31Å; W588-W628 HydrophobicContact CE3-CZ2 4.46Å; W588-W628 AromaticContact CE3-NE1 3.7Å; W588-W628 HydrophobicContact CH2-CB 4.42Å; W588-W628 AromaticContact CH2-CD2 3.24Å; W588-W628 HydrophobicContact CH2-CD2 3.24Å; W588-W628 AromaticContact CH2-CE2 3.53Å; W588-W628 AromaticContact CH2-CE3 3.04Å; W588-W628 HydrophobicContact CH2-CE3 3.04Å; W588-W628 AromaticContact CH2-CG 3.9Å; W588-W628 HydrophobicContact CH2-CG 3.9Å; W588-W628 AromaticContact CH2-CH2 3.46Å; W588-W628 HydrophobicContact CH2-CH2 3.46Å; W588-W628 VanDerWaalsContact CH2-CH2 3.46Å; W588-W628 AromaticContact CH2-CZ2 3.64Å; W588-W628 HydrophobicContact CH2-CZ2 3.64Å; W588-W628 AromaticContact CH2-CZ3 3.17Å; W588-W628 HydrophobicContact CH2-CZ3 3.17Å; W588-W628 HydrophobicContact CZ2-CD2 4.22Å; W588-W628 HydrophobicContact CZ2-CE3 4.16Å; W588-W628 AromaticContact CZ2-CH2 3.81Å; W588-W628 HydrophobicContact CZ2-CH2 3.81Å; W588-W628 AromaticContact CZ2-CZ2 3.88Å; W588-W628 HydrophobicContact CZ2-CZ2 3.88Å; W588-W628 AromaticContact CZ2-CZ3 3.96Å; W588-W628 HydrophobicContact CZ2-CZ3 3.96Å; W588-W628 HydrophobicContact CZ3-CB 3.3Å; W588-W628 AromaticContact CZ3-CD1 3.6Å; W588-W628 AromaticContact CZ3-CD2 2.87Å; W588-W628 HydrophobicContact CZ3-CD2 2.87Å; W588-W628 AromaticContact CZ3-CE2 3.38Å; W588-W628 AromaticContact CZ3-CE3 3.14Å; W588-W628 HydrophobicContact CZ3-CE3 3.14Å; W588-W628 AromaticContact CZ3-CG 3Å; W588-W628 HydrophobicContact CZ3-CG 3Å; W588-W628 HydrophobicContact CZ3-CH2 4.18Å; W588-W628 AromaticContact CZ3-CZ2 4Å; W588-W628 HydrophobicContact CZ3-CZ2 4Å; W588-W628 AromaticContact CZ3-CZ3 3.8Å; W588-W628 HydrophobicContact CZ3-CZ3 3.8Å; W588-W628 AromaticContact CZ3-NE1 3.82Å; L605-W628 HydrophobicContact CD1-CH2 3.72Å; L605-W628 HydrophobicContact CD1-CZ3 4.24Å; V624-W628 HydrophobicContact CG1-CD2 3.56Å; V624-W628 HydrophobicContact CG1-CE3 3.5Å; V624-W628 HydrophobicContact CG1-CH2 3.47Å; V624-W628 VanDerWaalsContact CG1-CH2 3.47Å; V624-W628 HydrophobicContact CG1-CZ2 3.49Å; V624-W628 VanDerWaalsContact CG1-CZ2 3.49Å; V624-W628 HydrophobicContact CG1-CZ3 3.46Å; V624-W628 VanDerWaalsContact CG1-CZ3 3.46Å; V624-W628 VanDerWaalsContact O-CG 3.29Å; V624-W628 PolarHBondContact O-N 2.82Å; L626-W628 PolarHBondContact O-N 3.41Å; W628-R631 PolarHBondContact O-N 3.4Å |
| 629 | T | 66.9 | Low | 61.4 | Low | 54 Ų | 54 | 82.2 Ų | 82.2 | 33% | 0.331 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -75 | -25.2 | 176.8 | 51 | 0 | 0 | 0 | 0 | 113.5 | S625 L626 R631 S632 W639 | S625-T629 WeakPolarHBondContact O-CB 3.04Å; S625-T629 VanDerWaalsContact O-CG2 3.31Å; S625-T629 WeakPolarHBondContact O-CG2 3.45Å; S625-T629 PolarHBondContact O-N 3.25Å; S625-T629 PolarHBondContact O-OG1 3.09Å; L626-T629 WeakPolarHBondContact CA-OG1 3.38Å; L626-T629 PolarHBondContact O-N 2.9Å; L626-T629 PolarHBondContact O-OG1 2.91Å; T629-R631 VanDerWaalsContact C-N 3.31Å; T629-S632 PolarHBondContact O-OG 3.41Å; T629-W639 HydrophobicContact CG2-CE3 4.35Å; T629-W639 HydrophobicContact CG2-CH2 3.75Å; T629-W639 HydrophobicContact CG2-CZ3 3.42Å; T629-W639 VanDerWaalsContact CG2-CZ3 3.42Å |
| 630 | G | 57.9 | Low | 59.1 | Low | 68 Ų | 68 | 82.4 Ų | 82.4 | 70% | 0.701 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -77.3 | -14.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L626 | L626-G630 PolarHBondContact O-N 3.21Å |
| 631 | R | 56 | Low | 56.8 | Low | 149 Ų | 149 | 89.2 Ų | 89.2 | 56% | 0.562 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 7.6 | 179.4 | -75.9 | 177.7 | 176.3 | -171.3 | 0.2 | 113.8 | I627 W628 T629 N633 | I627-R631 VanDerWaalsContact O-CG 3.3Å; I627-R631 WeakPolarHBondContact O-CG 3.41Å; I627-R631 PolarHBondContact O-N 3.44Å; W628-R631 PolarHBondContact O-N 3.4Å; T629-R631 VanDerWaalsContact C-N 3.31Å; R631-N633 PolarHBondContact O-N 2.88Å |
| 632 | S | 45 | Very low | 54.7 | Low | 77 Ų | 77 | 92.7 Ų | 92.7 | 54% | 0.538 | 48% | 0.475 | S | S | . | . | trans | -70.5 | 89.2 | -175.1 | -51 | 0 | 0 | 0 | 0 | 114 | T629 | T629-S632 PolarHBondContact O-OG 3.41Š| ||
| 633 | N | 39 | Very low | 52.5 | Low | 149 Ų | 149 | 96 Ų | 96 | 80% | 0.797 | 50% | 0.498 | S | S | * | . | S | Bend | -102.6 | 126.1 | 120.5 | -84.2 | -22.2 | 0 | 0 | 0 | 105.5 | R631 | R631-N633 PolarHBondContact O-N 2.88Š| |
| 634 | F | 38.9 | Very low | 50.2 | Low | 188 Ų | 188 | 99.8 Ų | 99.8 | 83% | 0.825 | 51% | 0.508 | S | S | * | . | trans | 102.7 | 126.7 | -175.5 | -68.5 | -82.6 | 0 | 0 | 0 | 117.4 | ||||
| 635 | T | 39.9 | Very low | 48.1 | Very low | 110 Ų | 110 | 103.6 Ų | 103.6 | 68% | 0.675 | 53% | 0.531 | S | S | * | . | trans | -108.3 | 110.2 | 179 | 45.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 636 | P | 34.9 | Very low | 46 | Very low | 70 Ų | 70 | 110.3 Ų | 110.3 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | trans | -73.8 | 138.9 | 158.4 | -8 | 24.9 | 0 | 0 | 0 | 108.4 | S638 W639 | P636-S638 PolarHBondContact O-N 3.03Å; P636-W639 PolarHBondContact O-N 3.04Å | ||
| 637 | W | 33.9 | Very low | 44 | Very low | 230 Ų | 230 | 110 Ų | 110 | 87% | 0.871 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -14.9 | -178.5 | -85.2 | 68.3 | 0 | 0 | 0 | 114.6 | ||
| 638 | S | 38.1 | Very low | 42.2 | Very low | 68 Ų | 68 | 110.2 Ų | 110.2 | 48% | 0.476 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.8 | -17.5 | 174.7 | 55.7 | 0 | 0 | 0 | 0 | 114.6 | P636 | P636-S638 PolarHBondContact O-N 3.03Š|
| 639 | W | 35.9 | Very low | 40.5 | Very low | 57 Ų | 57 | 118.1 Ų | 118.1 | 22% | 0.216 | 59% | 0.592 | C | S | . | * | G | 310 helix | trans | -86.2 | -13.2 | -178.1 | -79.4 | 80.1 | 0 | 0 | 0 | 114.7 | W588 T629 P636 N641 W642 C643 | W588-W639 HydrophobicContact CH2-CZ2 4.24Å; W588-W639 AromaticContact CZ3-CZ2 3.99Å; W588-W639 HydrophobicContact CZ3-CZ2 3.99Å; T629-W639 HydrophobicContact CG2-CE3 4.35Å; T629-W639 HydrophobicContact CG2-CH2 3.75Å; T629-W639 HydrophobicContact CG2-CZ3 3.42Å; T629-W639 VanDerWaalsContact CG2-CZ3 3.42Å; P636-W639 PolarHBondContact O-N 3.04Å; W639-N641 PolarHBondContact O-N 2.87Å; W639-W642 HydrophobicContact CE3-CB 4.01Å; W639-W642 HydrophobicContact CE3-CE3 4.4Å; W639-W642 HydrophobicContact CH2-CE3 4.27Å; W639-W642 HydrophobicContact CH2-CZ3 4.42Å; W639-W642 HydrophobicContact CZ3-CE3 4.07Å; W639-W642 WeakPolarHBondContact O-CB 3.27Å; W639-W642 PolarHBondContact O-N 3.31Å; W639-C643 PolarHBondContact O-N 3.27Å |
| 640 | Q | 36.3 | Very low | 39 | Very low | 134 Ų | 134 | 120.4 Ų | 120.4 | 63% | 0.626 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -66.2 | -23.4 | 177.8 | -79.6 | -176.7 | -16.5 | 0 | 0 | 112.6 | ||
| 641 | N | 37.4 | Very low | 38 | Very low | 153 Ų | 153 | 120.1 Ų | 120.1 | 82% | 0.818 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -85.1 | -7.2 | 170.9 | -74 | -17.2 | 0 | 0 | 0 | 113.9 | W639 | W639-N641 PolarHBondContact O-N 2.87Š|
| 642 | W | 40 | Very low | 37.2 | Very low | 75 Ų | 75 | 121.4 Ų | 121.4 | 28% | 0.284 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.1 | -29.6 | -171.8 | -80.2 | 55.4 | 0 | 0 | 0 | 114.5 | V602 Q606 W639 W644 | V602-W642 HydrophobicContact CG1-CH2 3.63Å; V602-W642 HydrophobicContact CG1-CZ2 4.02Å; Q606-W642 HydrophobicContact CG-CH2 3.56Å; Q606-W642 HydrophobicContact CG-CZ2 4.28Å; Q606-W642 HydrophobicContact CG-CZ3 4.12Å; W639-W642 HydrophobicContact CE3-CB 4.01Å; W639-W642 HydrophobicContact CE3-CE3 4.4Å; W639-W642 HydrophobicContact CH2-CE3 4.27Å; W639-W642 HydrophobicContact CH2-CZ3 4.42Å; W639-W642 HydrophobicContact CZ3-CE3 4.07Å; W639-W642 WeakPolarHBondContact O-CB 3.27Å; W639-W642 PolarHBondContact O-N 3.31Å; W642-W644 PolarHBondContact O-N 2.99Å |
| 643 | C | 33.1 | Very low | 36.8 | Very low | 83 Ų | 83 | 124 Ų | 124 | 56% | 0.561 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 12.8 | -165.8 | -104.5 | 0 | 0 | 0 | 0 | 116.9 | W639 | W639-C643 PolarHBondContact O-N 3.27Š|
| 644 | W | 34.7 | Very low | 36.6 | Very low | 218 Ų | 218 | 121.4 Ų | 121.4 | 83% | 0.826 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.7 | 37.3 | -176 | -67.1 | 96.6 | 0 | 0 | 0 | 115.4 | W642 | W642-W644 PolarHBondContact O-N 2.99Š|
| 645 | T | 38.7 | Very low | 36.7 | Very low | 87 Ų | 87 | 115.9 Ų | 115.9 | 53% | 0.534 | 56% | 0.555 | S | S | . | * | trans | -109.5 | 131.9 | 163.9 | 51.9 | 0 | 0 | 0 | 0 | 110.8 | P647 F648 | T645-P647 VanDerWaalsContact C-N 3.28Å; T645-P647 VanDerWaalsContact O-CD 3.24Å; T645-P647 WeakPolarHBondContact O-CD 3.29Å; T645-P647 VanDerWaalsContact O-N 3.1Å; T645-F648 PolarHBondContact O-N 3.41Å | ||
| 646 | E | 33.5 | Very low | 36.5 | Very low | 163 Ų | 163 | 117.1 Ų | 117.1 | 76% | 0.762 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.1 | -28.8 | -180 | -84.4 | 170 | 134.5 | 0 | 0 | 117.5 | F648 R649 I650 | E646-F648 VanDerWaalsContact C-N 3.31Å; E646-F648 PolarHBondContact O-N 3.29Å; E646-R649 PolarHBondContact O-N 2.75Å; E646-I650 PolarHBondContact O-N 2.69Å |
| 647 | P | 34.7 | Very low | 36.4 | Very low | 77 Ų | 77 | 121.1 Ų | 121.1 | 50% | 0.5 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.6 | -34.4 | -178.3 | -25.2 | 35.1 | 0 | 0 | 0 | 114.3 | T645 R649 I650 L651 | T645-P647 VanDerWaalsContact C-N 3.28Å; T645-P647 VanDerWaalsContact O-CD 3.24Å; T645-P647 WeakPolarHBondContact O-CD 3.29Å; T645-P647 VanDerWaalsContact O-N 3.1Å; P647-R649 PolarHBondContact O-N 2.82Å; P647-I650 PolarHBondContact O-N 2.97Å; P647-L651 WeakPolarHBondContact O-CB 3.36Å; P647-L651 PolarHBondContact O-N 2.87Å |
| 648 | F | 36.5 | Very low | 36.5 | Very low | 79 Ų | 79 | 120 Ų | 120 | 35% | 0.346 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.6 | -28 | -177.3 | -91.6 | -85.1 | 0 | 0 | 0 | 113.7 | L609 T645 E646 R652 | L609-F648 HydrophobicContact CD2-CE1 4.18Å; L609-F648 HydrophobicContact CD2-CZ 3.72Å; T645-F648 PolarHBondContact O-N 3.41Å; E646-F648 VanDerWaalsContact C-N 3.31Å; E646-F648 PolarHBondContact O-N 3.29Å; F648-R652 PolarHBondContact O-N 3.46Å |
| 649 | R | 38.4 | Very low | 36.4 | Very low | 191 Ų | 191 | 122.7 Ų | 122.7 | 72% | 0.721 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.8 | -40.4 | 173 | -85.6 | -176.4 | 171.3 | 175.7 | -1.9 | 111.6 | E646 P647 R652 H653 | E646-R649 PolarHBondContact O-N 2.75Å; P647-R649 PolarHBondContact O-N 2.82Å; R649-R652 PolarHBondContact O-N 2.94Å; R649-H653 PolarHBondContact O-N 3.44Å |
| 650 | I | 36.4 | Very low | 36.4 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 53% | 0.528 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.8 | -39.4 | -180 | -63.9 | 170.1 | 0 | 0 | 0 | 110.3 | E646 P647 H653 L654 | E646-I650 PolarHBondContact O-N 2.69Å; P647-I650 PolarHBondContact O-N 2.97Å; I650-H653 PolarHBondContact O-N 3.38Å; I650-L654 HydrophobicContact CG2-CD1 3.76Å; I650-L654 PolarHBondContact O-N 2.96Å |
| 651 | L | 37.6 | Very low | 36.4 | Very low | 62 Ų | 62 | 125.7 Ų | 125.7 | 33% | 0.325 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.1 | -37.5 | 177.6 | -146.5 | 76.3 | 0 | 0 | 0 | 112.9 | L609 V622 P647 H653 L654 I655 | L609-L651 HydrophobicContact CD1-CD2 4.17Å; V622-L651 HydrophobicContact CG2-CD2 3.42Å; V622-L651 VanDerWaalsContact CG2-CD2 3.42Å; V622-L651 HydrophobicContact CG2-CG 4.47Å; P647-L651 WeakPolarHBondContact O-CB 3.36Å; P647-L651 PolarHBondContact O-N 2.87Å; L651-H653 VanDerWaalsContact C-N 3.29Å; L651-H653 PolarHBondContact O-N 3.46Å; L651-L654 PolarHBondContact O-N 3.37Å; L651-I655 HydrophobicContact CG-CD1 4.16Å; L651-I655 WeakPolarHBondContact O-CD1 3.09Å; L651-I655 VanDerWaalsContact O-CG1 3.32Å; L651-I655 WeakPolarHBondContact O-CG1 3.48Å; L651-I655 PolarHBondContact O-N 3.08Å; L651-I655 VanDerWaalsContact O-N 3.15Å |
| 652 | R | 39 | Very low | 36.4 | Very low | 176 Ų | 176 | 124.1 Ų | 124.1 | 66% | 0.664 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.5 | -33.4 | 173.9 | -171.5 | 178.8 | 178.5 | -174.5 | 0.4 | 112.4 | F648 R649 | F648-R652 PolarHBondContact O-N 3.46Å; R649-R652 PolarHBondContact O-N 2.94Å |
| 653 | H | 36.2 | Very low | 36.1 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 60% | 0.602 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -79.7 | -36.3 | 176 | -90.6 | -4.1 | 0 | 0 | 0 | 113.5 | R649 I650 L651 I655 L656 | R649-H653 PolarHBondContact O-N 3.44Å; I650-H653 PolarHBondContact O-N 3.38Å; L651-H653 VanDerWaalsContact C-N 3.29Å; L651-H653 PolarHBondContact O-N 3.46Å; H653-I655 VanDerWaalsContact C-N 3.34Å; H653-I655 PolarHBondContact O-N 2.96Å; H653-L656 PolarHBondContact O-N 2.95Å |
| 654 | L | 34.9 | Very low | 36.3 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68 | -30.8 | 177.1 | -84.8 | 157.2 | 0 | 0 | 0 | 113.3 | I650 L651 M657 | I650-L654 HydrophobicContact CG2-CD1 3.76Å; I650-L654 PolarHBondContact O-N 2.96Å; L651-L654 PolarHBondContact O-N 3.37Å; L654-M657 PolarHBondContact O-N 2.71Å |
| 655 | I | 39.8 | Very low | 36.4 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 36% | 0.364 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | -18.7 | -179.8 | -68.4 | 168.1 | 0 | 0 | 0 | 112.8 | V622 L651 H653 M657 | V622-I655 HydrophobicContact CB-CD1 4.12Å; V622-I655 HydrophobicContact CG1-CD1 3.55Å; V622-I655 HydrophobicContact CG2-CD1 4.11Å; L651-I655 HydrophobicContact CG-CD1 4.16Å; L651-I655 WeakPolarHBondContact O-CD1 3.09Å; L651-I655 VanDerWaalsContact O-CG1 3.32Å; L651-I655 WeakPolarHBondContact O-CG1 3.48Å; L651-I655 PolarHBondContact O-N 3.08Å; L651-I655 VanDerWaalsContact O-N 3.15Å; H653-I655 VanDerWaalsContact C-N 3.34Å; H653-I655 PolarHBondContact O-N 2.96Å; I655-M657 VanDerWaalsContact C-N 3.32Å |
| 656 | L | 36.6 | Very low | 36.3 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 71% | 0.712 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -6.3 | 172.1 | -74.1 | 167.8 | 0 | 0 | 0 | 112.8 | H653 | H653-L656 PolarHBondContact O-N 2.95Š|
| 657 | M | 31.8 | Very low | 36.5 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 76% | 0.759 | 59% | 0.593 | S | S | * | * | trans | -107.9 | -3.9 | -179.3 | -69.6 | -162.7 | -160.2 | 0 | 0 | 114.3 | L654 I655 | L654-M657 PolarHBondContact O-N 2.71Å; I655-M657 VanDerWaalsContact C-N 3.32Å | ||
| 658 | L | 36.2 | Very low | 36.7 | Very low | 208 Ų | 208 | 127.8 Ų | 127.8 | 100% | 1.089 | 60% | 0.601 | S | S | * | * | trans | -114.3 | 0 | 171.8 | -70.5 | 171.1 | 0 | 0 | 0 | 109 |
Retrieved 658 of 658 residues in 1294.8 ms
(Link to these results)