| 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 | 34 | Very low | 56.1 | Low | 245 Ų | 245 | 132.1 Ų | 132.1 | 100% | 1.207 | 66% | 0.663 | S | S | * | * | 0 | 99.2 | 0 | -74.7 | 178.7 | 160.5 | 0 | 0 | 107.5 | N3 | M1-N3 PolarHBondContact O-N 3.14Š| |||
| 2 | V | 28.4 | Very low | 59.3 | Low | 141 Ų | 141 | 123.7 Ų | 123.7 | 86% | 0.855 | 62% | 0.623 | S | S | * | * | trans | -69.4 | 111.3 | 170.9 | 178.3 | 0 | 0 | 0 | 0 | 105.2 | P4 | V2-P4 VanDerWaalsContact O-CD 3.27Å; V2-P4 WeakPolarHBondContact O-CD 3.06Å | ||
| 3 | N | 35.5 | Very low | 61.8 | Low | 143 Ų | 143 | 117.5 Ų | 117.5 | 77% | 0.765 | 60% | 0.596 | S | S | * | * | trans | -56.1 | 112.3 | 169.9 | -136.8 | -3 | 0 | 0 | 0 | 105.1 | M1 I5 | M1-N3 PolarHBondContact O-N 3.14Å; N3-I5 PolarHBondContact O-N 2.78Å | ||
| 4 | P | 41.3 | Very low | 63.8 | Low | 94 Ų | 94 | 111.9 Ų | 111.9 | 61% | 0.61 | 57% | 0.566 | S | S | * | * | trans | -64 | 114.8 | 176.1 | 27.2 | -27.6 | 0 | 0 | 0 | 103.3 | V2 R6 | V2-P4 VanDerWaalsContact O-CD 3.27Å; V2-P4 WeakPolarHBondContact O-CD 3.06Å; P4-R6 PolarHBondContact O-N 2.76Å | ||
| 5 | I | 42.8 | Very low | 65.9 | Low | 155 Ų | 155 | 104.5 Ų | 104.5 | 80% | 0.795 | 53% | 0.529 | S | S | * | . | trans | -52.8 | 100.1 | 165.5 | -63.6 | 169.2 | 0 | 0 | 0 | 103.1 | N3 M7 | N3-I5 PolarHBondContact O-N 2.78Å; I5-M7 HydrophobicContact CG2-CG 4.37Å; I5-M7 PolarHBondContact O-N 2.87Å | ||
| 6 | R | 50.4 | Low | 67.7 | Low | 228 Ų | 228 | 98.6 Ų | 98.6 | 86% | 0.86 | 50% | 0.501 | S | S | * | . | trans | -64.1 | 89.9 | 169.8 | -83.2 | -175.1 | 173.6 | -177.9 | -1.2 | 102.7 | P4 E8 | P4-R6 PolarHBondContact O-N 2.76Å; R6-E8 VanDerWaalsContact C-N 3.27Å; R6-E8 PolarHBondContact O-N 2.87Å | ||
| 7 | M | 55 | Low | 69 | Low | 133 Ų | 133 | 99.4 Ų | 99.4 | 66% | 0.655 | 50% | 0.503 | S | S | * | . | trans | -57.1 | 102.6 | 170.3 | -83 | -177.7 | 57.6 | 0 | 0 | 105 | I5 I9 M97 | I5-M7 HydrophobicContact CG2-CG 4.37Å; I5-M7 PolarHBondContact O-N 2.87Å; M7-I9 PolarHBondContact O-N 2.96Å; M7-M97 HydrophobicContact CB-CE 3.95Å; M7-M97 WeakPolarHBondContact O-CE 3.41Å | ||
| 8 | E | 71.6 | Confident | 70.1 | Confident | 186 Ų | 186 | 96.6 Ų | 96.6 | 87% | 0.869 | 50% | 0.497 | S | S | * | . | trans | -69.2 | 127.5 | -179.7 | -159.5 | 168.8 | -164.9 | 0 | 0 | 107.2 | R6 D10 | R6-E8 VanDerWaalsContact C-N 3.27Å; R6-E8 PolarHBondContact O-N 2.87Å; E8-D10 PolarHBondContact O-N 3.18Å; E8-D10 VanDerWaalsContact O-N 3.14Å | ||
| 9 | I | 79.5 | Confident | 71.1 | Confident | 31 Ų | 31 | 91.5 Ų | 91.5 | 16% | 0.159 | 47% | 0.471 | C | S | . | . | trans | -68.2 | 116.2 | 180 | -66.6 | 176.6 | 0 | 0 | 0 | 107.4 | M7 L11 Q14 V72 I75 M97 | M7-I9 PolarHBondContact O-N 2.96Å; I9-L11 VanDerWaalsContact C-N 3.29Å; I9-L11 PolarHBondContact O-N 3.12Å; I9-Q14 VanDerWaalsContact CG2-CD 3.48Å; I9-Q14 HydrophobicContact CG2-CG 4.24Å; I9-V72 HydrophobicContact CB-CG2 4.12Å; I9-V72 HydrophobicContact CD1-CG1 4.31Å; I9-V72 HydrophobicContact CD1-CG2 4.1Å; I9-V72 HydrophobicContact CG2-CG2 3.69Å; I9-I75 HydrophobicContact CD1-CB 4.35Å; I9-I75 HydrophobicContact CD1-CD1 3.86Å; I9-I75 HydrophobicContact CD1-CG2 4.12Å; I9-M97 HydrophobicContact CD1-CE 4.37Å; I9-M97 HydrophobicContact CD1-SD 4.31Å; I9-M97 HydrophobicContact CG1-CE 3.9Å; I9-M97 HydrophobicContact CG1-SD 4.45Å | ||
| 10 | D | 88.6 | Confident | 72.1 | Confident | 65 Ų | 65 | 92.4 Ų | 92.4 | 35% | 0.348 | 48% | 0.477 | S | S | . | . | trans | -69 | 89 | 174.2 | -177.9 | 1.5 | 0 | 0 | 0 | 110 | E8 T12 T13 Q14 R23 | E8-D10 PolarHBondContact O-N 3.18Å; E8-D10 VanDerWaalsContact O-N 3.14Å; D10-T12 PolarHBondContact O-N 3.49Å; D10-T12 VanDerWaalsContact OD1-CB 3.25Å; D10-T12 WeakPolarHBondContact OD1-CB 3.3Å; D10-T12 PolarHBondContact OD1-N 3.4Å; D10-T13 VanDerWaalsContact CG-OG1 3.32Å; D10-T13 PolarHBondContact O-N 3.44Å; D10-T13 PolarHBondContact OD1-N 3.49Å; D10-T13 WeakPolarHBondContact OD2-CB 3.33Å; D10-T13 PolarHBondContact OD2-OG1 3.19Å; D10-Q14 PolarHBondContact O-N 3.37Å; D10-Q14 VanDerWaalsContact O-N 3.14Å; D10-R23 IonicContact OD2-CZ 3.53Å; D10-R23 IonicContact OD2-NE 2.77Å; D10-R23 IonicContact OD2-NH2 3.33Å; D10-R23 PolarHBondContact OD2-NH2 2.91Å | ||
| 11 | L | 90.3 | Very high | 73 | Confident | 32 Ų | 32 | 89.3 Ų | 89.3 | 17% | 0.168 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -54.6 | -37.2 | 177.7 | -179.4 | 65.6 | 0 | 0 | 0 | 111.5 | I9 T13 Q14 V15 C68 K69 | I9-L11 VanDerWaalsContact C-N 3.29Å; I9-L11 PolarHBondContact O-N 3.12Å; L11-T13 PolarHBondContact O-N 2.97Å; L11-Q14 PolarHBondContact O-N 2.98Å; L11-V15 HydrophobicContact CD1-CG2 4.01Å; L11-V15 HydrophobicContact CG-CG2 4.2Å; L11-V15 WeakPolarHBondContact O-CB 3.29Å; L11-V15 VanDerWaalsContact O-CG2 3.24Å; L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 3.31Å; L11-C68 HydrophobicContact CD1-CB 3.52Å; L11-K69 HydrophobicContact CD1-CG 4.11Å; L11-K69 HydrophobicContact CD2-CD 4.35Å; L11-K69 HydrophobicContact CD2-CG 3.79Å |
| 12 | T | 93.7 | Very high | 75.8 | Confident | 31 Ų | 31 | 82 Ų | 82 | 19% | 0.19 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.6 | -46.9 | -178.5 | -51 | 0 | 0 | 0 | 0 | 110.6 | D10 V15 A16 R23 V26 I30 | D10-T12 PolarHBondContact O-N 3.49Å; D10-T12 VanDerWaalsContact OD1-CB 3.25Å; D10-T12 WeakPolarHBondContact OD1-CB 3.3Å; D10-T12 PolarHBondContact OD1-N 3.4Å; T12-V15 PolarHBondContact O-N 3.4Å; T12-A16 WeakPolarHBondContact O-CB 3.44Å; T12-A16 PolarHBondContact O-N 3.44Å; T12-R23 HydrophobicContact CG2-CG 3.95Å; T12-V26 HydrophobicContact CG2-CB 4.23Å; T12-V26 HydrophobicContact CG2-CG1 3.88Å; T12-I30 HydrophobicContact CG2-CD1 4.47Å |
| 13 | T | 92.5 | Very high | 78.9 | Confident | 43 Ų | 43 | 81.1 Ų | 81.1 | 26% | 0.264 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 178.8 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | D10 L11 V15 A16 E17 R23 | D10-T13 VanDerWaalsContact CG-OG1 3.32Å; D10-T13 PolarHBondContact O-N 3.44Å; D10-T13 PolarHBondContact OD1-N 3.49Å; D10-T13 WeakPolarHBondContact OD2-CB 3.33Å; D10-T13 PolarHBondContact OD2-OG1 3.19Å; L11-T13 PolarHBondContact O-N 2.97Å; T13-V15 PolarHBondContact O-N 2.9Å; T13-A16 PolarHBondContact O-N 2.92Å; T13-E17 WeakPolarHBondContact O-CG 3.45Å; T13-E17 PolarHBondContact O-N 2.77Å; T13-R23 PolarHBondContact OG1-NE 3.01Å |
| 14 | Q | 90.3 | Very high | 81.8 | Confident | 39 Ų | 39 | 79 Ų | 79 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 176.4 | -67.5 | -162 | -0.1 | 0 | 0 | 112.6 | I9 D10 L11 A18 C68 | I9-Q14 VanDerWaalsContact CG2-CD 3.48Å; I9-Q14 HydrophobicContact CG2-CG 4.24Å; D10-Q14 PolarHBondContact O-N 3.37Å; D10-Q14 VanDerWaalsContact O-N 3.14Å; L11-Q14 PolarHBondContact O-N 2.98Å; Q14-A18 VanDerWaalsContact O-CB 3.24Å; Q14-A18 WeakPolarHBondContact O-CB 3.16Å; Q14-A18 PolarHBondContact O-N 3.28Å; Q14-C68 HydrophobicContact CB-CB 4.48Å |
| 15 | V | 94.1 | Very high | 84.3 | Confident | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 178.2 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | L11 T12 T13 A18 A19 V26 L61 M65 C68 | L11-V15 HydrophobicContact CD1-CG2 4.01Å; L11-V15 HydrophobicContact CG-CG2 4.2Å; L11-V15 WeakPolarHBondContact O-CB 3.29Å; L11-V15 VanDerWaalsContact O-CG2 3.24Å; L11-V15 WeakPolarHBondContact O-CG2 3.23Å; L11-V15 PolarHBondContact O-N 3.31Å; T12-V15 PolarHBondContact O-N 3.4Å; T13-V15 PolarHBondContact O-N 2.9Å; V15-A18 PolarHBondContact O-N 3.4Å; V15-A19 WeakPolarHBondContact O-CB 3.46Å; V15-A19 PolarHBondContact O-N 3.48Å; V15-V26 HydrophobicContact CB-CG1 3.95Å; V15-V26 HydrophobicContact CG1-CG1 3.75Å; V15-L61 HydrophobicContact CG1-CD2 4.22Å; V15-M65 HydrophobicContact CG1-CB 4.42Å; V15-M65 HydrophobicContact CG2-CB 4.23Å; V15-C68 HydrophobicContact CG2-CB 3.77Å |
| 16 | A | 94.7 | Very high | 86.8 | Confident | 11 Ų | 11 | 68.3 Ų | 68.3 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T12 T13 N20 I21 R23 V26 | T12-A16 WeakPolarHBondContact O-CB 3.44Å; T12-A16 PolarHBondContact O-N 3.44Å; T13-A16 PolarHBondContact O-N 2.92Å; A16-N20 WeakPolarHBondContact O-CA 3.47Å; A16-N20 PolarHBondContact O-N 2.92Å; A16-I21 WeakPolarHBondContact CB-O 3.49Å; A16-I21 PolarHBondContact O-N 3.38Å; A16-I21 VanDerWaalsContact O-N 3.11Å; A16-R23 HydrophobicContact CB-CB 4.15Å; A16-R23 HydrophobicContact CB-CG 4.45Å; A16-V26 HydrophobicContact CB-CG2 3.97Å |
| 17 | E | 90.9 | Very high | 89 | Confident | 112 Ų | 112 | 59.9 Ų | 59.9 | 52% | 0.523 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.9 | -48.5 | 175.8 | -73 | -176.9 | -170 | 0 | 0 | 111.8 | T13 A19 N20 K100 | T13-E17 WeakPolarHBondContact O-CG 3.45Å; T13-E17 PolarHBondContact O-N 2.77Å; E17-A19 PolarHBondContact O-N 2.55Å; E17-N20 PolarHBondContact O-N 3.41Å; E17-K100 IonicContact OE2-NZ 3.27Å; E17-K100 PolarHBondContact OE2-NZ 3.43Å |
| 18 | A | 88.2 | Confident | 90.9 | Very high | 48 Ų | 48 | 58.7 Ų | 58.7 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.5 | -35.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q14 V15 K64 | Q14-A18 VanDerWaalsContact O-CB 3.24Å; Q14-A18 WeakPolarHBondContact O-CB 3.16Å; Q14-A18 PolarHBondContact O-N 3.28Å; V15-A18 PolarHBondContact O-N 3.4Å; A18-K64 HydrophobicContact CB-CB 4.33Å; A18-K64 HydrophobicContact CB-CG 4.45Å |
| 19 | A | 89.3 | Confident | 92 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -86.2 | -12.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V15 E17 I21 R60 L61 K64 | V15-A19 WeakPolarHBondContact O-CB 3.46Å; V15-A19 PolarHBondContact O-N 3.48Å; E17-A19 PolarHBondContact O-N 2.55Å; A19-I21 VanDerWaalsContact C-N 3.31Å; A19-I21 HydrophobicContact CB-CB 4.34Å; A19-I21 HydrophobicContact CB-CD1 3.8Å; A19-I21 HydrophobicContact CB-CG1 4.12Å; A19-R60 PolarHBondContact O-NE 3.37Å; A19-R60 VanDerWaalsContact O-NE 3.11Å; A19-R60 PolarHBondContact O-NH1 2.87Å; A19-R60 PolarHBondContact O-NH2 2.82Å; A19-L61 HydrophobicContact CB-CD2 4.12Å; A19-K64 HydrophobicContact CB-CB 4.16Å; A19-K64 HydrophobicContact CB-CG 4.1Å |
| 20 | N | 90 | Very high | 92.8 | Very high | 110 Ų | 110 | 49 Ų | 49 | 59% | 0.588 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 49.7 | -171.2 | -168.6 | 59.2 | 0 | 0 | 0 | 111.8 | A16 E17 | A16-N20 WeakPolarHBondContact O-CA 3.47Å; A16-N20 PolarHBondContact O-N 2.92Å; E17-N20 PolarHBondContact O-N 3.41Å |
| 21 | I | 91 | Very high | 93.1 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 14% | 0.138 | 26% | 0.256 | C | S | . | . | trans | -128.7 | 149.6 | -177.4 | -68 | 168 | 0 | 0 | 0 | 109 | A16 A19 R23 L25 V26 V57 L61 | A16-I21 WeakPolarHBondContact CB-O 3.49Å; A16-I21 PolarHBondContact O-N 3.38Å; A16-I21 VanDerWaalsContact O-N 3.11Å; A19-I21 VanDerWaalsContact C-N 3.31Å; A19-I21 HydrophobicContact CB-CB 4.34Å; A19-I21 HydrophobicContact CB-CD1 3.8Å; A19-I21 HydrophobicContact CB-CG1 4.12Å; I21-R23 PolarHBondContact O-N 3.36Å; I21-L25 HydrophobicContact CG2-CB 4.32Å; I21-L25 HydrophobicContact CG2-CD2 3.86Å; I21-L25 HydrophobicContact CG2-CG 4.36Å; I21-V26 HydrophobicContact CB-CG2 4.31Å; I21-V26 HydrophobicContact CG2-CG2 4.05Å; I21-V57 HydrophobicContact CD1-CG1 3.64Å; I21-V57 HydrophobicContact CG1-CG1 4.43Å; I21-L61 HydrophobicContact CB-CD2 4.22Å; I21-L61 HydrophobicContact CD1-CD1 4.15Å; I21-L61 HydrophobicContact CD1-CD2 3.59Å; I21-L61 HydrophobicContact CD1-CG 3.53Å; I21-L61 HydrophobicContact CG2-CD2 4.17Å | ||
| 22 | D | 93.1 | Very high | 93.3 | Very high | 93 Ų | 93 | 47.7 Ų | 47.7 | 50% | 0.497 | 25% | 0.25 | S | S | . | . | trans | -52.8 | 133 | 176.6 | 177.1 | 66.4 | 0 | 0 | 0 | 112.9 | N24 L25 V26 | D22-N24 VanDerWaalsContact C-N 3.29Å; D22-N24 PolarHBondContact O-N 3.35Å; D22-N24 WeakPolarHBondContact OD2-CA 3.35Å; D22-N24 WeakPolarHBondContact OD2-CB 3.43Å; D22-N24 PolarHBondContact OD2-N 3.32Å; D22-L25 PolarHBondContact O-N 3.06Å; D22-L25 PolarHBondContact OD2-N 3.43Å; D22-L25 VanDerWaalsContact OD2-N 3.12Å; D22-V26 VanDerWaalsContact O-CG2 3.25Å; D22-V26 WeakPolarHBondContact O-CG2 3.49Å; D22-V26 PolarHBondContact O-N 2.94Å; D22-V26 VanDerWaalsContact O-N 3.12Å | ||
| 23 | R | 95 | Very high | 93.4 | Very high | 122 Ų | 122 | 47.1 Ų | 47.1 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.8 | -32.5 | -176.3 | -173.3 | 179 | -179.4 | -100 | 1.8 | 112.5 | D10 T12 T13 A16 I21 V26 S27 | D10-R23 IonicContact OD2-CZ 3.53Å; D10-R23 IonicContact OD2-NE 2.77Å; D10-R23 IonicContact OD2-NH2 3.33Å; D10-R23 PolarHBondContact OD2-NH2 2.91Å; T12-R23 HydrophobicContact CG2-CG 3.95Å; T13-R23 PolarHBondContact OG1-NE 3.01Å; A16-R23 HydrophobicContact CB-CB 4.15Å; A16-R23 HydrophobicContact CB-CG 4.45Å; I21-R23 PolarHBondContact O-N 3.36Å; R23-V26 PolarHBondContact O-N 2.84Å; R23-S27 WeakPolarHBondContact O-CB 3.37Å; R23-S27 PolarHBondContact O-N 2.9Å; R23-S27 PolarHBondContact O-OG 2.81Å |
| 24 | N | 94.8 | Very high | 93.5 | Very high | 98 Ų | 98 | 50.3 Ų | 50.3 | 52% | 0.524 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -74.1 | -30.5 | -180 | -56.7 | -45.8 | 0 | 0 | 0 | 112 | D22 S27 R28 | D22-N24 VanDerWaalsContact C-N 3.29Å; D22-N24 PolarHBondContact O-N 3.35Å; D22-N24 WeakPolarHBondContact OD2-CA 3.35Å; D22-N24 WeakPolarHBondContact OD2-CB 3.43Å; D22-N24 PolarHBondContact OD2-N 3.32Å; N24-S27 PolarHBondContact O-OG 2.76Å; N24-S27 VanDerWaalsContact O-OG 3.07Å; N24-R28 WeakPolarHBondContact O-CG 3.35Å; N24-R28 PolarHBondContact O-NE 3.13Å |
| 25 | L | 94.4 | Very high | 93.6 | Very high | 24 Ų | 24 | 54.2 Ų | 54.2 | 13% | 0.126 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.6 | -47.3 | 168.4 | 179.2 | 56.6 | 0 | 0 | 0 | 110.6 | I21 D22 S27 R28 V29 T50 A53 | I21-L25 HydrophobicContact CG2-CB 4.32Å; I21-L25 HydrophobicContact CG2-CD2 3.86Å; I21-L25 HydrophobicContact CG2-CG 4.36Å; D22-L25 PolarHBondContact O-N 3.06Å; D22-L25 PolarHBondContact OD2-N 3.43Å; D22-L25 VanDerWaalsContact OD2-N 3.12Å; L25-S27 PolarHBondContact O-N 3.32Å; L25-R28 PolarHBondContact O-N 2.98Å; L25-V29 HydrophobicContact CD1-CG2 3.81Å; L25-V29 HydrophobicContact CG-CG2 4.33Å; L25-V29 WeakPolarHBondContact O-CG2 3.3Å; L25-V29 PolarHBondContact O-N 2.86Å; L25-V29 VanDerWaalsContact O-N 3.09Å; L25-T50 WeakPolarHBondContact CD1-O 3.33Å; L25-A53 HydrophobicContact CD1-CB 4.45Å; L25-A53 HydrophobicContact CD2-CB 4.32Å |
| 26 | V | 96.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.7 | -45.4 | -179.2 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | T12 V15 A16 I21 D22 R23 R28 V29 I30 L61 | T12-V26 HydrophobicContact CG2-CB 4.23Å; T12-V26 HydrophobicContact CG2-CG1 3.88Å; V15-V26 HydrophobicContact CB-CG1 3.95Å; V15-V26 HydrophobicContact CG1-CG1 3.75Å; A16-V26 HydrophobicContact CB-CG2 3.97Å; I21-V26 HydrophobicContact CB-CG2 4.31Å; I21-V26 HydrophobicContact CG2-CG2 4.05Å; D22-V26 VanDerWaalsContact O-CG2 3.25Å; D22-V26 WeakPolarHBondContact O-CG2 3.49Å; D22-V26 PolarHBondContact O-N 2.94Å; D22-V26 VanDerWaalsContact O-N 3.12Å; R23-V26 PolarHBondContact O-N 2.84Å; V26-R28 VanDerWaalsContact C-N 3.27Å; V26-R28 PolarHBondContact O-N 3.5Å; V26-V29 PolarHBondContact O-N 3.25Å; V26-I30 HydrophobicContact CG1-CD1 3.58Å; V26-I30 HydrophobicContact CG1-CG1 4.05Å; V26-I30 WeakPolarHBondContact O-CG1 3.43Å; V26-I30 PolarHBondContact O-N 2.95Å; V26-L61 HydrophobicContact CB-CD2 4.46Å; V26-L61 HydrophobicContact CG2-CD2 3.56Å |
| 27 | S | 95.8 | Very high | 93.6 | Very high | 51 Ų | 51 | 58.6 Ų | 58.6 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.6 | -31.3 | -179.3 | 67 | 0 | 0 | 0 | 0 | 113.4 | R23 N24 L25 P31 | R23-S27 WeakPolarHBondContact O-CB 3.37Å; R23-S27 PolarHBondContact O-N 2.9Å; R23-S27 PolarHBondContact O-OG 2.81Å; N24-S27 PolarHBondContact O-OG 2.76Å; N24-S27 VanDerWaalsContact O-OG 3.07Å; L25-S27 PolarHBondContact O-N 3.32Å; S27-P31 WeakPolarHBondContact O-CD 3.48Å |
| 28 | R | 94.5 | Very high | 93.9 | Very high | 107 Ų | 107 | 54 Ų | 54 | 40% | 0.404 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -78.6 | -34.2 | 176.2 | -70.2 | -178.2 | -70 | 166.1 | -3.6 | 112.6 | N24 L25 V26 M32 I49 | N24-R28 WeakPolarHBondContact O-CG 3.35Å; N24-R28 PolarHBondContact O-NE 3.13Å; L25-R28 PolarHBondContact O-N 2.98Å; V26-R28 VanDerWaalsContact C-N 3.27Å; V26-R28 PolarHBondContact O-N 3.5Å; R28-M32 WeakPolarHBondContact O-CG 3.11Å; R28-I49 HydrophobicContact CB-CG2 4.01Å; R28-I49 VanDerWaalsContact CD-O 3.29Å; R28-I49 WeakPolarHBondContact CD-O 3.38Å; R28-I49 PolarHBondContact NE-O 3.06Å; R28-I49 PolarHBondContact NH1-O 3.05Å |
| 29 | V | 95.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -84 | -35.7 | -174.2 | 173.6 | 0 | 0 | 0 | 0 | 112.9 | L25 V26 M32 F33 T50 L58 L61 | L25-V29 HydrophobicContact CD1-CG2 3.81Å; L25-V29 HydrophobicContact CG-CG2 4.33Å; L25-V29 WeakPolarHBondContact O-CG2 3.3Å; L25-V29 PolarHBondContact O-N 2.86Å; L25-V29 VanDerWaalsContact O-N 3.09Å; V26-V29 PolarHBondContact O-N 3.25Å; V29-M32 WeakPolarHBondContact O-CA 3.31Å; V29-M32 VanDerWaalsContact O-CB 3.28Å; V29-M32 WeakPolarHBondContact O-CB 3.43Å; V29-M32 PolarHBondContact O-N 2.84Å; V29-F33 HydrophobicContact CG1-CD2 3.77Å; V29-F33 HydrophobicContact CG1-CE2 3.31Å; V29-F33 HydrophobicContact CG1-CZ 3.92Å; V29-F33 PolarHBondContact O-N 3.06Å; V29-T50 HydrophobicContact CG2-CG2 3.9Å; V29-L58 HydrophobicContact CG1-CD2 4.04Å; V29-L58 HydrophobicContact CG2-CD2 4.18Å; V29-L61 HydrophobicContact CB-CD1 4.49Å; V29-L61 HydrophobicContact CG1-CD1 4.25Å; V29-L61 HydrophobicContact CG2-CD1 4.47Å |
| 30 | I | 95.6 | Very high | 94.6 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -52.5 | -50.9 | -179.3 | -75.2 | 172.3 | 0 | 0 | 0 | 112.2 | T12 V26 M32 F33 E34 M65 | T12-I30 HydrophobicContact CG2-CD1 4.47Å; V26-I30 HydrophobicContact CG1-CD1 3.58Å; V26-I30 HydrophobicContact CG1-CG1 4.05Å; V26-I30 WeakPolarHBondContact O-CG1 3.43Å; V26-I30 PolarHBondContact O-N 2.95Å; I30-M32 PolarHBondContact O-N 3.19Å; I30-M32 VanDerWaalsContact O-N 3.12Å; I30-F33 PolarHBondContact O-N 3.42Å; I30-F33 VanDerWaalsContact O-N 3.08Å; I30-E34 HydrophobicContact CG2-CG 4.33Å; I30-E34 WeakPolarHBondContact O-CG 3.33Å; I30-E34 PolarHBondContact O-N 3.02Å; I30-M65 HydrophobicContact CG1-CG 4.4Å; I30-M65 HydrophobicContact CG1-SD 4.17Å; I30-M65 HydrophobicContact CG2-SD 4.29Å |
| 31 | P | 95.6 | Very high | 94.9 | Very high | 57 Ų | 57 | 46.7 Ų | 46.7 | 37% | 0.37 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.7 | -28.1 | 178.3 | -25.5 | 35 | 0 | 0 | 0 | 113.3 | S27 N35 | S27-P31 WeakPolarHBondContact O-CD 3.48Å; P31-N35 WeakPolarHBondContact O-CB 3.15Å; P31-N35 VanDerWaalsContact O-CG 3.24Å; P31-N35 PolarHBondContact O-N 3.06Å; P31-N35 PolarHBondContact O-ND2 3.34Å |
| 32 | M | 95 | Very high | 95.2 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 5% | 0.054 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.3 | -44.6 | 177.7 | -49.1 | -178.6 | 85.5 | 0 | 0 | 110.7 | R28 V29 I30 E34 N35 G36 Y37 I42 R46 I49 T50 | R28-M32 WeakPolarHBondContact O-CG 3.11Å; V29-M32 WeakPolarHBondContact O-CA 3.31Å; V29-M32 VanDerWaalsContact O-CB 3.28Å; V29-M32 WeakPolarHBondContact O-CB 3.43Å; V29-M32 PolarHBondContact O-N 2.84Å; I30-M32 PolarHBondContact O-N 3.19Å; I30-M32 VanDerWaalsContact O-N 3.12Å; M32-E34 VanDerWaalsContact C-N 3.31Å; M32-E34 PolarHBondContact O-N 3.34Å; M32-N35 PolarHBondContact O-N 3.12Å; M32-G36 PolarHBondContact O-N 3.36Å; M32-Y37 HydrophobicContact CB-CD2 4.14Å; M32-Y37 HydrophobicContact CB-CG 4.48Å; M32-Y37 WeakPolarHBondContact O-CB 3.46Å; M32-Y37 VanDerWaalsContact O-CD2 3.24Å; M32-Y37 WeakPolarHBondContact O-CD2 3.43Å; M32-Y37 PolarHBondContact O-N 3.19Å; M32-I42 HydrophobicContact CB-CD1 3.84Å; M32-I42 HydrophobicContact CB-CG1 4.36Å; M32-I42 HydrophobicContact CE-CG1 4.06Å; M32-I42 HydrophobicContact CE-CG2 4.17Å; M32-I42 HydrophobicContact SD-CD1 4.48Å; M32-I42 HydrophobicContact SD-CG1 4.38Å; M32-I42 HydrophobicContact SD-CG2 4.07Å; M32-R46 HydrophobicContact CE-CB 3.42Å; M32-R46 VanDerWaalsContact CE-CB 3.42Å; M32-R46 HydrophobicContact CE-CG 3.46Å; M32-R46 VanDerWaalsContact CE-CG 3.46Å; M32-I49 HydrophobicContact CE-CD1 4.1Å; M32-I49 HydrophobicContact CE-CG2 4.37Å; M32-I49 HydrophobicContact SD-CG2 3.86Å; M32-T50 HydrophobicContact SD-CG2 4.29Å |
| 33 | F | 95.7 | Very high | 95.3 | Very high | 19 Ų | 19 | 41.4 Ų | 41.4 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.9 | -34.4 | 175.5 | -67.9 | -46 | 0 | 0 | 0 | 112.6 | V29 I30 N35 G36 V39 I42 L58 L61 K62 M65 | V29-F33 HydrophobicContact CG1-CD2 3.77Å; V29-F33 HydrophobicContact CG1-CE2 3.31Å; V29-F33 HydrophobicContact CG1-CZ 3.92Å; V29-F33 PolarHBondContact O-N 3.06Å; I30-F33 PolarHBondContact O-N 3.42Å; I30-F33 VanDerWaalsContact O-N 3.08Å; F33-N35 VanDerWaalsContact C-N 3.32Å; F33-G36 PolarHBondContact O-N 2.91Å; F33-V39 HydrophobicContact CE1-CG2 3.78Å; F33-V39 HydrophobicContact CZ-CG2 4.05Å; F33-I42 HydrophobicContact CD1-CD1 3.9Å; F33-I42 HydrophobicContact CE1-CD1 3.54Å; F33-I42 HydrophobicContact CZ-CD1 4.17Å; F33-L58 HydrophobicContact CZ-CB 4.42Å; F33-L58 WeakPolarHBondContact CZ-O 3.34Å; F33-L61 HydrophobicContact CE2-CB 4.27Å; F33-K62 HydrophobicContact CD1-CD 4.08Å; F33-K62 HydrophobicContact CD1-CG 4.29Å; F33-K62 HydrophobicContact CD2-CB 4.25Å; F33-K62 HydrophobicContact CD2-CG 4.46Å; F33-K62 HydrophobicContact CE1-CB 4.17Å; F33-K62 HydrophobicContact CE1-CD 3.92Å; F33-K62 HydrophobicContact CE1-CG 4.26Å; F33-K62 HydrophobicContact CE2-CB 3.78Å; F33-K62 HydrophobicContact CE2-CG 4.41Å; F33-K62 HydrophobicContact CG-CG 4.41Å; F33-K62 HydrophobicContact CZ-CB 3.76Å; F33-K62 HydrophobicContact CZ-CD 4.36Å; F33-K62 HydrophobicContact CZ-CG 4.33Å; F33-M65 HydrophobicContact CB-CE 3.63Å; F33-M65 HydrophobicContact CB-SD 3.95Å; F33-M65 HydrophobicContact CD2-CE 4.25Å; F33-M65 HydrophobicContact CD2-SD 4.17Å; F33-M65 HydrophobicContact CG-CE 4.26Å |
| 34 | E | 93.6 | Very high | 95.2 | Very high | 111 Ų | 111 | 37 Ų | 37 | 52% | 0.519 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.6 | -36.1 | 175 | -69.9 | -178.1 | 157.9 | 0 | 0 | 112.7 | I30 M32 G36 K69 | I30-E34 HydrophobicContact CG2-CG 4.33Å; I30-E34 WeakPolarHBondContact O-CG 3.33Å; I30-E34 PolarHBondContact O-N 3.02Å; M32-E34 VanDerWaalsContact C-N 3.31Å; M32-E34 PolarHBondContact O-N 3.34Å; E34-G36 PolarHBondContact O-N 3.34Å; E34-K69 VanDerWaalsContact CG-NZ 3.34Å; E34-K69 IonicContact OE1-NZ 2.75Å; E34-K69 PolarHBondContact OE1-NZ 3.36Å |
| 35 | N | 93.2 | Very high | 95.2 | Very high | 120 Ų | 120 | 33.8 Ų | 33.8 | 64% | 0.642 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | 5.5 | 172.2 | -71 | -41.8 | 0 | 0 | 0 | 113.6 | P31 M32 F33 Y37 | P31-N35 WeakPolarHBondContact O-CB 3.15Å; P31-N35 VanDerWaalsContact O-CG 3.24Å; P31-N35 PolarHBondContact O-N 3.06Å; P31-N35 PolarHBondContact O-ND2 3.34Å; M32-N35 PolarHBondContact O-N 3.12Å; F33-N35 VanDerWaalsContact C-N 3.32Å; N35-Y37 HydrophobicContact CB-CD2 3.73Å; N35-Y37 HydrophobicContact CB-CE2 3.68Å |
| 36 | G | 92.4 | Very high | 95.2 | Very high | 49 Ų | 49 | 35.3 Ų | 35.3 | 51% | 0.505 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 16.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | M32 F33 E34 | M32-G36 PolarHBondContact O-N 3.36Å; F33-G36 PolarHBondContact O-N 2.91Å; E34-G36 PolarHBondContact O-N 3.34Å |
| 37 | Y | 95.7 | Very high | 95 | Very high | 56 Ų | 56 | 37.8 Ų | 37.8 | 22% | 0.22 | 20% | 0.195 | C | C | . | . | trans | -66 | 137.3 | 175.5 | -70.2 | -87.7 | 0 | 0 | 0 | 111.7 | M32 N35 F41 | M32-Y37 HydrophobicContact CB-CD2 4.14Å; M32-Y37 HydrophobicContact CB-CG 4.48Å; M32-Y37 WeakPolarHBondContact O-CB 3.46Å; M32-Y37 VanDerWaalsContact O-CD2 3.24Å; M32-Y37 WeakPolarHBondContact O-CD2 3.43Å; M32-Y37 PolarHBondContact O-N 3.19Å; N35-Y37 HydrophobicContact CB-CD2 3.73Å; N35-Y37 HydrophobicContact CB-CE2 3.68Å; Y37-F41 AromaticContact CD1-CD1 3.35Å; Y37-F41 HydrophobicContact CD1-CD1 3.35Å; Y37-F41 AromaticContact CD1-CE1 3.32Å; Y37-F41 HydrophobicContact CD1-CE1 3.32Å; Y37-F41 HydrophobicContact CD1-CG 4.31Å; Y37-F41 HydrophobicContact CD1-CZ 4.3Å; Y37-F41 AromaticContact CE1-CD1 3.92Å; Y37-F41 HydrophobicContact CE1-CD1 3.92Å; Y37-F41 AromaticContact CE1-CE1 3.36Å; Y37-F41 HydrophobicContact CE1-CE1 3.36Å; Y37-F41 HydrophobicContact CE1-CZ 4.05Å; Y37-F41 HydrophobicContact CG-CD1 4.4Å | ||
| 38 | T | 96.3 | Very high | 94.8 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | trans | -82.5 | 154.1 | 177 | 60 | 0 | 0 | 0 | 0 | 111.4 | F41 I42 A602 Q641 | T38-F41 PolarHBondContact O-N 3.05Å; T38-F41 WeakPolarHBondContact OG1-CB 3.43Å; T38-I42 WeakPolarHBondContact O-CG1 3.43Å; T38-I42 PolarHBondContact O-N 2.87Å; T38-A602 HydrophobicContact CG2-CB 4.44Å; T38-Q641 PolarHBondContact OG1-OE1 2.97Å | ||
| 39 | V | 96.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | -179.3 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | F33 F41 I42 A43 P55 L58 H59 K62 | F33-V39 HydrophobicContact CE1-CG2 3.78Å; F33-V39 HydrophobicContact CZ-CG2 4.05Å; V39-F41 VanDerWaalsContact C-N 3.28Å; V39-F41 PolarHBondContact O-N 3.49Å; V39-I42 PolarHBondContact O-N 2.89Å; V39-A43 WeakPolarHBondContact O-CB 3.33Å; V39-A43 PolarHBondContact O-N 2.8Å; V39-P55 HydrophobicContact CG1-CB 4.14Å; V39-L58 HydrophobicContact CG1-CB 3.66Å; V39-L58 HydrophobicContact CG1-CD1 4.12Å; V39-L58 HydrophobicContact CG2-CB 4.2Å; V39-H59 WeakPolarHBondContact CG1-NE2 3.25Å; V39-K62 HydrophobicContact CG2-CD 4.25Å |
| 40 | P | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.1 | -38.9 | 177.3 | -26 | 37 | 0 | 0 | 0 | 112.7 | R44 E580 E581 F585 A602 F645 | P40-R44 WeakPolarHBondContact O-CB 3.46Å; P40-R44 PolarHBondContact O-N 3.12Å; P40-E580 HydrophobicContact CG-CG 4.14Å; P40-E581 HydrophobicContact CG-CB 4.5Å; P40-F585 HydrophobicContact CB-CD2 4.37Å; P40-F585 HydrophobicContact CB-CE2 4.04Å; P40-A602 HydrophobicContact CB-CB 4.03Å; P40-A602 HydrophobicContact CG-CB 4.13Å; P40-F645 HydrophobicContact CB-CE1 4.49Å; P40-F645 HydrophobicContact CB-CE2 4.43Å; P40-F645 HydrophobicContact CB-CZ 3.95Å |
| 41 | F | 96.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -47.4 | 176.7 | -177.9 | -83.6 | 0 | 0 | 0 | 111.8 | Y37 T38 V39 R44 Y45 R46 A640 F645 H734 | Y37-F41 AromaticContact CD1-CD1 3.35Å; Y37-F41 HydrophobicContact CD1-CD1 3.35Å; Y37-F41 AromaticContact CD1-CE1 3.32Å; Y37-F41 HydrophobicContact CD1-CE1 3.32Å; Y37-F41 HydrophobicContact CD1-CG 4.31Å; Y37-F41 HydrophobicContact CD1-CZ 4.3Å; Y37-F41 AromaticContact CE1-CD1 3.92Å; Y37-F41 HydrophobicContact CE1-CD1 3.92Å; Y37-F41 AromaticContact CE1-CE1 3.36Å; Y37-F41 HydrophobicContact CE1-CE1 3.36Å; Y37-F41 HydrophobicContact CE1-CZ 4.05Å; Y37-F41 HydrophobicContact CG-CD1 4.4Å; T38-F41 PolarHBondContact O-N 3.05Å; T38-F41 WeakPolarHBondContact OG1-CB 3.43Å; V39-F41 VanDerWaalsContact C-N 3.28Å; V39-F41 PolarHBondContact O-N 3.49Å; F41-R44 PolarHBondContact O-N 3.34Å; F41-Y45 AromaticContact CD2-CD2 3.62Å; F41-Y45 HydrophobicContact CD2-CD2 3.62Å; F41-Y45 HydrophobicContact CD2-CE2 4.36Å; F41-Y45 HydrophobicContact CD2-CG 4.5Å; F41-Y45 AromaticContact CE2-CD2 3.76Å; F41-Y45 HydrophobicContact CE2-CD2 3.76Å; F41-Y45 HydrophobicContact CE2-CG 4.29Å; F41-Y45 HydrophobicContact CG-CD2 4.22Å; F41-Y45 PolarHBondContact O-N 2.89Å; F41-R46 HydrophobicContact CD1-CG 4.28Å; F41-R46 HydrophobicContact CE1-CG 3.84Å; F41-A640 WeakPolarHBondContact CD2-O 3.29Å; F41-A640 WeakPolarHBondContact CE2-O 3.39Å; F41-F645 HydrophobicContact CB-CE2 4.15Å; F41-F645 HydrophobicContact CB-CZ 4.42Å; F41-F645 HydrophobicContact CD2-CE2 4.45Å; F41-H734 AromaticContact CE2-NE2 3.85Å |
| 42 | I | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 179 | -65.3 | 167.7 | 0 | 0 | 0 | 110.3 | M32 F33 T38 V39 R44 R46 T50 L58 | M32-I42 HydrophobicContact CB-CD1 3.84Å; M32-I42 HydrophobicContact CB-CG1 4.36Å; M32-I42 HydrophobicContact CE-CG1 4.06Å; M32-I42 HydrophobicContact CE-CG2 4.17Å; M32-I42 HydrophobicContact SD-CD1 4.48Å; M32-I42 HydrophobicContact SD-CG1 4.38Å; M32-I42 HydrophobicContact SD-CG2 4.07Å; F33-I42 HydrophobicContact CD1-CD1 3.9Å; F33-I42 HydrophobicContact CE1-CD1 3.54Å; F33-I42 HydrophobicContact CZ-CD1 4.17Å; T38-I42 WeakPolarHBondContact O-CG1 3.43Å; T38-I42 PolarHBondContact O-N 2.87Å; V39-I42 PolarHBondContact O-N 2.89Å; I42-R44 VanDerWaalsContact C-N 3.29Å; I42-R44 PolarHBondContact O-N 3.48Å; I42-R46 HydrophobicContact CG2-CB 4.45Å; I42-R46 CarbonylContact O-C 3.57Å; I42-R46 WeakPolarHBondContact O-CB 3.4Å; I42-R46 PolarHBondContact O-N 2.87Å; I42-R46 VanDerWaalsContact O-N 3.13Å; I42-T50 HydrophobicContact CG2-CG2 3.53Å; I42-L58 HydrophobicContact CB-CD1 4.15Å; I42-L58 HydrophobicContact CG2-CD1 3.8Å; I42-L58 HydrophobicContact CG2-CD2 4.02Å |
| 43 | A | 95.1 | Very high | 93.8 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -36.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V39 K47 P55 L58 F585 | V39-A43 WeakPolarHBondContact O-CB 3.33Å; V39-A43 PolarHBondContact O-N 2.8Å; A43-K47 WeakPolarHBondContact O-CE 3.23Å; A43-K47 WeakPolarHBondContact O-CG 3.25Å; A43-P55 HydrophobicContact CB-CG 3.94Å; A43-L58 HydrophobicContact CB-CD1 3.91Å; A43-F585 HydrophobicContact CB-CZ 4.22Å |
| 44 | R | 94.1 | Very high | 93.4 | Very high | 30 Ų | 30 | 42 Ų | 42 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -90.4 | -43.5 | -176 | -162.8 | 170.3 | -166.5 | 160.4 | 15.7 | 113.6 | P40 F41 I42 F585 F645 E805 | P40-R44 WeakPolarHBondContact O-CB 3.46Å; P40-R44 PolarHBondContact O-N 3.12Å; F41-R44 PolarHBondContact O-N 3.34Å; I42-R44 VanDerWaalsContact C-N 3.29Å; I42-R44 PolarHBondContact O-N 3.48Å; R44-F585 HydrophobicContact CB-CZ 4.33Å; R44-F585 PolarHBondContact NH1-O 3.01Å; R44-F645 HydrophobicContact CB-CE1 4.32Å; R44-F645 HydrophobicContact CB-CZ 4.45Å; R44-E805 IonicContact NH2-OE1 3.55Å; R44-E805 PolarHBondContact NH2-OE1 3.4Å |
| 45 | Y | 95.3 | Very high | 93.3 | Very high | 29 Ų | 29 | 37 Ų | 37 | 11% | 0.114 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -113.8 | 3.8 | -166.7 | -57.8 | -61.6 | 0 | 0 | 0 | 114.6 | F41 G644 F645 A732 H734 | F41-Y45 AromaticContact CD2-CD2 3.62Å; F41-Y45 HydrophobicContact CD2-CD2 3.62Å; F41-Y45 HydrophobicContact CD2-CE2 4.36Å; F41-Y45 HydrophobicContact CD2-CG 4.5Å; F41-Y45 AromaticContact CE2-CD2 3.76Å; F41-Y45 HydrophobicContact CE2-CD2 3.76Å; F41-Y45 HydrophobicContact CE2-CG 4.29Å; F41-Y45 HydrophobicContact CG-CD2 4.22Å; F41-Y45 PolarHBondContact O-N 2.89Å; Y45-G644 WeakPolarHBondContact OH-CA 3.42Å; Y45-G644 PolarHBondContact OH-O 3.34Å; Y45-F645 HydrophobicContact CD2-CZ 4.11Å; Y45-F645 HydrophobicContact CE2-CD1 4.31Å; Y45-F645 AromaticContact CE2-CE1 3.73Å; Y45-F645 HydrophobicContact CE2-CE1 3.73Å; Y45-F645 HydrophobicContact CE2-CE2 4.02Å; Y45-F645 AromaticContact CE2-CZ 3.56Å; Y45-F645 HydrophobicContact CE2-CZ 3.56Å; Y45-A732 WeakPolarHBondContact CE1-O 3.37Å; Y45-A732 PolarHBondContact OH-O 2.91Å; Y45-H734 HydrophobicContact CD1-CB 3.81Å; Y45-H734 HydrophobicContact CE1-CB 3.71Å; Y45-H734 HydrophobicContact CG-CB 4.4Å |
| 46 | R | 94.3 | Very high | 93 | Very high | 56 Ų | 56 | 35 Ų | 35 | 21% | 0.211 | 21% | 0.209 | C | C | . | . | trans | -136 | 38.5 | -179.4 | -58.4 | -69.7 | 179 | 142.2 | -0.3 | 111.8 | M32 F41 I42 E48 I49 T50 | M32-R46 HydrophobicContact CE-CB 3.42Å; M32-R46 VanDerWaalsContact CE-CB 3.42Å; M32-R46 HydrophobicContact CE-CG 3.46Å; M32-R46 VanDerWaalsContact CE-CG 3.46Å; F41-R46 HydrophobicContact CD1-CG 4.28Å; F41-R46 HydrophobicContact CE1-CG 3.84Å; I42-R46 HydrophobicContact CG2-CB 4.45Å; I42-R46 CarbonylContact O-C 3.57Å; I42-R46 WeakPolarHBondContact O-CB 3.4Å; I42-R46 PolarHBondContact O-N 2.87Å; I42-R46 VanDerWaalsContact O-N 3.13Å; R46-E48 VanDerWaalsContact C-N 3.29Å; R46-E48 PolarHBondContact O-N 3.08Å; R46-I49 PolarHBondContact O-N 3.07Å; R46-T50 PolarHBondContact O-N 3.11Å; R46-T50 PolarHBondContact O-OG1 2.95Å; R46-T50 VanDerWaalsContact O-OG1 3.09Å | ||
| 47 | K | 91.5 | Very high | 92.9 | Very high | 53 Ų | 53 | 34.2 Ų | 34.2 | 23% | 0.23 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.3 | -37 | -177.8 | -70 | -179.1 | -179.8 | 175.6 | 0 | 111.9 | A43 I49 T50 G51 G52 D788 D792 | A43-K47 WeakPolarHBondContact O-CE 3.23Å; A43-K47 WeakPolarHBondContact O-CG 3.25Å; K47-I49 PolarHBondContact O-N 3.15Å; K47-T50 CarbonylContact O-C 3.49Å; K47-T50 PolarHBondContact O-N 3.19Å; K47-T50 PolarHBondContact O-OG1 2.96Å; K47-G51 CarbonylContact O-C 3.59Å; K47-G51 WeakPolarHBondContact O-CA 3.4Å; K47-G51 PolarHBondContact O-N 3.46Å; K47-G52 PolarHBondContact O-N 2.99Å; K47-D788 HydrophobicContact CB-CB 4.02Å; K47-D788 HydrophobicContact CD-CB 4.36Å; K47-D792 WeakPolarHBondContact CD-OD2 3.39Å; K47-D792 VanDerWaalsContact CE-OD2 3.25Å; K47-D792 WeakPolarHBondContact CE-OD2 3.35Å; K47-D792 IonicContact NZ-OD1 2.71Å; K47-D792 PolarHBondContact NZ-OD1 3.19Å; K47-D792 IonicContact NZ-OD2 3.79Å; K47-D792 PolarHBondContact NZ-OD2 3.33Å |
| 48 | E | 91.2 | Very high | 92.9 | Very high | 52 Ų | 52 | 31.5 Ų | 31.5 | 24% | 0.243 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | -179.9 | -61.9 | 77.2 | -177.4 | 0 | 0 | 111.8 | R46 T50 G786 T789 | R46-E48 VanDerWaalsContact C-N 3.29Å; R46-E48 PolarHBondContact O-N 3.08Å; E48-T50 VanDerWaalsContact C-N 3.3Å; E48-T50 PolarHBondContact O-N 2.82Å; E48-G786 PolarHBondContact OE1-N 3.39Å; E48-T789 VanDerWaalsContact CD-OG1 3.29Å; E48-T789 WeakPolarHBondContact OE1-CB 3.31Å; E48-T789 PolarHBondContact OE1-N 3.35Å; E48-T789 PolarHBondContact OE1-OG1 3.34Å; E48-T789 PolarHBondContact OE2-OG1 2.78Å |
| 49 | I | 91.7 | Very high | 92.7 | Very high | 60 Ų | 60 | 32.1 Ų | 32.1 | 31% | 0.308 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.1 | -35.4 | 180 | -62.7 | 175.8 | 0 | 0 | 0 | 110.2 | R28 M32 R46 K47 | R28-I49 HydrophobicContact CB-CG2 4.01Å; R28-I49 VanDerWaalsContact CD-O 3.29Å; R28-I49 WeakPolarHBondContact CD-O 3.38Å; R28-I49 PolarHBondContact NE-O 3.06Å; R28-I49 PolarHBondContact NH1-O 3.05Å; M32-I49 HydrophobicContact CE-CD1 4.1Å; M32-I49 HydrophobicContact CE-CG2 4.37Å; M32-I49 HydrophobicContact SD-CG2 3.86Å; R46-I49 PolarHBondContact O-N 3.07Å; K47-I49 PolarHBondContact O-N 3.15Å |
| 50 | T | 92.4 | Very high | 92.3 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -95.8 | -9.1 | -174.7 | 61.2 | 0 | 0 | 0 | 0 | 114.3 | L25 V29 M32 I42 R46 K47 E48 G52 A53 L58 | L25-T50 WeakPolarHBondContact CD1-O 3.33Å; V29-T50 HydrophobicContact CG2-CG2 3.9Å; M32-T50 HydrophobicContact SD-CG2 4.29Å; I42-T50 HydrophobicContact CG2-CG2 3.53Å; R46-T50 PolarHBondContact O-N 3.11Å; R46-T50 PolarHBondContact O-OG1 2.95Å; R46-T50 VanDerWaalsContact O-OG1 3.09Å; K47-T50 CarbonylContact O-C 3.49Å; K47-T50 PolarHBondContact O-N 3.19Å; K47-T50 PolarHBondContact O-OG1 2.96Å; E48-T50 VanDerWaalsContact C-N 3.3Å; E48-T50 PolarHBondContact O-N 2.82Å; T50-G52 VanDerWaalsContact C-N 3.26Å; T50-G52 PolarHBondContact OG1-N 2.84Å; T50-A53 PolarHBondContact OG1-N 3.33Å; T50-L58 HydrophobicContact CG2-CD2 4.47Å |
| 51 | G | 89.6 | Confident | 92.3 | Very high | 62 Ų | 62 | 36.9 Ų | 36.9 | 64% | 0.639 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 30.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113 | K47 | K47-G51 CarbonylContact O-C 3.59Å; K47-G51 WeakPolarHBondContact O-CA 3.4Å; K47-G51 PolarHBondContact O-N 3.46Å |
| 52 | G | 89.5 | Confident | 92.2 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 39% | 0.392 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 72.9 | 37.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K47 T50 E54 | K47-G52 PolarHBondContact O-N 2.99Å; T50-G52 VanDerWaalsContact C-N 3.26Å; T50-G52 PolarHBondContact OG1-N 2.84Å; G52-E54 PolarHBondContact O-N 2.9Å |
| 53 | A | 91.1 | Very high | 91.9 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | trans | -62.6 | 128.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | L25 T50 L58 | L25-A53 HydrophobicContact CD1-CB 4.45Å; L25-A53 HydrophobicContact CD2-CB 4.32Å; T50-A53 PolarHBondContact OG1-N 3.33Å; A53-L58 HydrophobicContact CB-CD2 4.05Å; A53-L58 HydrophobicContact CB-CG 4.15Å | ||
| 54 | E | 89.1 | Confident | 91.8 | Very high | 119 Ų | 119 | 45.4 Ų | 45.4 | 56% | 0.556 | 24% | 0.24 | S | C | * | . | trans | -64.3 | 149.5 | 178.6 | -69 | -69 | 164.8 | 0 | 0 | 112.2 | G52 T56 V57 L58 | G52-E54 PolarHBondContact O-N 2.9Å; E54-T56 PolarHBondContact O-N 3.29Å; E54-T56 VanDerWaalsContact O-N 3.14Å; E54-V57 HydrophobicContact CB-CG2 4.35Å; E54-V57 WeakPolarHBondContact O-CB 3.25Å; E54-V57 PolarHBondContact O-N 2.97Å; E54-L58 PolarHBondContact O-N 2.81Å; E54-L58 VanDerWaalsContact O-N 3.11Å | ||
| 55 | P | 90.8 | Very high | 91.8 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 5% | 0.045 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -52.7 | -37.2 | 178.7 | -28.5 | 35.4 | 0 | 0 | 0 | 114.2 | V39 A43 V57 L58 H59 E581 | V39-P55 HydrophobicContact CG1-CB 4.14Å; A43-P55 HydrophobicContact CB-CG 3.94Å; P55-V57 PolarHBondContact O-N 2.88Å; P55-L58 PolarHBondContact O-N 2.96Å; P55-H59 PolarHBondContact O-CD2 3.34Å; P55-H59 PolarHBondContact O-N 3.01Å; P55-E581 HydrophobicContact CB-CG 4.3Å; P55-E581 WeakPolarHBondContact CB-OE2 3.36Å; P55-E581 HydrophobicContact CG-CG 4.27Å |
| 56 | T | 86.4 | Confident | 91.8 | Very high | 77 Ų | 77 | 46.5 Ų | 46.5 | 47% | 0.472 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62 | -41.7 | 178.3 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | E54 R60 | E54-T56 PolarHBondContact O-N 3.29Å; E54-T56 VanDerWaalsContact O-N 3.14Å; T56-R60 PolarHBondContact O-N 3.4Å; T56-R60 VanDerWaalsContact O-N 3.07Å |
| 57 | V | 90.8 | Very high | 91.7 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 19% | 0.194 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 176.1 | 180 | 0 | 0 | 0 | 0 | 110 | I21 E54 P55 R60 L61 | I21-V57 HydrophobicContact CD1-CG1 3.64Å; I21-V57 HydrophobicContact CG1-CG1 4.43Å; E54-V57 HydrophobicContact CB-CG2 4.35Å; E54-V57 WeakPolarHBondContact O-CB 3.25Å; E54-V57 PolarHBondContact O-N 2.97Å; P55-V57 PolarHBondContact O-N 2.88Å; V57-R60 PolarHBondContact O-N 2.9Å; V57-L61 HydrophobicContact CG1-CD1 4.27Å; V57-L61 WeakPolarHBondContact O-CG 3.43Å; V57-L61 PolarHBondContact O-N 3.4Å |
| 58 | L | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 178.4 | -67.5 | 173.4 | 0 | 0 | 0 | 112.6 | V29 F33 V39 I42 A43 T50 A53 E54 P55 L61 K62 | V29-L58 HydrophobicContact CG1-CD2 4.04Å; V29-L58 HydrophobicContact CG2-CD2 4.18Å; F33-L58 HydrophobicContact CZ-CB 4.42Å; F33-L58 WeakPolarHBondContact CZ-O 3.34Å; V39-L58 HydrophobicContact CG1-CB 3.66Å; V39-L58 HydrophobicContact CG1-CD1 4.12Å; V39-L58 HydrophobicContact CG2-CB 4.2Å; I42-L58 HydrophobicContact CB-CD1 4.15Å; I42-L58 HydrophobicContact CG2-CD1 3.8Å; I42-L58 HydrophobicContact CG2-CD2 4.02Å; A43-L58 HydrophobicContact CB-CD1 3.91Å; T50-L58 HydrophobicContact CG2-CD2 4.47Å; A53-L58 HydrophobicContact CB-CD2 4.05Å; A53-L58 HydrophobicContact CB-CG 4.15Å; E54-L58 PolarHBondContact O-N 2.81Å; E54-L58 VanDerWaalsContact O-N 3.11Å; P55-L58 PolarHBondContact O-N 2.96Å; L58-L61 PolarHBondContact O-N 3.37Å; L58-K62 WeakPolarHBondContact O-CB 3.16Å; L58-K62 PolarHBondContact O-N 3.28Å |
| 59 | H | 92.3 | Very high | 91.9 | Very high | 29 Ų | 29 | 46.2 Ų | 46.2 | 13% | 0.134 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 173.8 | -79.9 | -62 | 0 | 0 | 0 | 112 | V39 P55 L61 K62 E63 N577 | V39-H59 WeakPolarHBondContact CG1-NE2 3.25Å; P55-H59 PolarHBondContact O-CD2 3.34Å; P55-H59 PolarHBondContact O-N 3.01Å; H59-L61 VanDerWaalsContact C-N 3.35Å; H59-L61 PolarHBondContact O-N 3.32Å; H59-K62 PolarHBondContact O-N 2.94Å; H59-E63 PolarHBondContact O-N 2.94Å; H59-N577 VanDerWaalsContact CE1-CB 3.41Å; H59-N577 WeakPolarHBondContact CE1-CB 3.42Å; H59-N577 PolarHBondContact CE1-OD1 2.99Å; H59-N577 PolarHBondContact ND1-ND2 3.41Å |
| 60 | R | 89.8 | Confident | 92 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 37% | 0.366 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 175.6 | -175.2 | 177.8 | -178.7 | -176.7 | -3.4 | 111.6 | A19 T56 V57 E63 K64 | A19-R60 PolarHBondContact O-NE 3.37Å; A19-R60 VanDerWaalsContact O-NE 3.11Å; A19-R60 PolarHBondContact O-NH1 2.87Å; A19-R60 PolarHBondContact O-NH2 2.82Å; T56-R60 PolarHBondContact O-N 3.4Å; T56-R60 VanDerWaalsContact O-N 3.07Å; V57-R60 PolarHBondContact O-N 2.9Å; R60-E63 PolarHBondContact O-N 3.25Å; R60-K64 WeakPolarHBondContact O-CG 3.45Å; R60-K64 PolarHBondContact O-N 3.01Å |
| 61 | L | 94.4 | Very high | 92 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.1 | -47 | 174.5 | -78 | 169.3 | 0 | 0 | 0 | 111.5 | V15 A19 I21 V26 V29 F33 V57 L58 H59 E63 K64 M65 | V15-L61 HydrophobicContact CG1-CD2 4.22Å; A19-L61 HydrophobicContact CB-CD2 4.12Å; I21-L61 HydrophobicContact CB-CD2 4.22Å; I21-L61 HydrophobicContact CD1-CD1 4.15Å; I21-L61 HydrophobicContact CD1-CD2 3.59Å; I21-L61 HydrophobicContact CD1-CG 3.53Å; I21-L61 HydrophobicContact CG2-CD2 4.17Å; V26-L61 HydrophobicContact CB-CD2 4.46Å; V26-L61 HydrophobicContact CG2-CD2 3.56Å; V29-L61 HydrophobicContact CB-CD1 4.49Å; V29-L61 HydrophobicContact CG1-CD1 4.25Å; V29-L61 HydrophobicContact CG2-CD1 4.47Å; F33-L61 HydrophobicContact CE2-CB 4.27Å; V57-L61 HydrophobicContact CG1-CD1 4.27Å; V57-L61 WeakPolarHBondContact O-CG 3.43Å; V57-L61 PolarHBondContact O-N 3.4Å; L58-L61 PolarHBondContact O-N 3.37Å; H59-L61 VanDerWaalsContact C-N 3.35Å; H59-L61 PolarHBondContact O-N 3.32Å; L61-E63 PolarHBondContact O-N 3.38Å; L61-K64 PolarHBondContact O-N 3.19Å; L61-M65 WeakPolarHBondContact O-CB 3.24Å; L61-M65 PolarHBondContact O-N 3.22Å |
| 62 | K | 94.8 | Very high | 92.1 | Very high | 73 Ų | 73 | 47 Ų | 47 | 32% | 0.317 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 179.5 | -170.7 | 173.6 | -178.7 | 174.8 | 0 | 112.2 | F33 V39 L58 H59 N66 | F33-K62 HydrophobicContact CD1-CD 4.08Å; F33-K62 HydrophobicContact CD1-CG 4.29Å; F33-K62 HydrophobicContact CD2-CB 4.25Å; F33-K62 HydrophobicContact CD2-CG 4.46Å; F33-K62 HydrophobicContact CE1-CB 4.17Å; F33-K62 HydrophobicContact CE1-CD 3.92Å; F33-K62 HydrophobicContact CE1-CG 4.26Å; F33-K62 HydrophobicContact CE2-CB 3.78Å; F33-K62 HydrophobicContact CE2-CG 4.41Å; F33-K62 HydrophobicContact CG-CG 4.41Å; F33-K62 HydrophobicContact CZ-CB 3.76Å; F33-K62 HydrophobicContact CZ-CD 4.36Å; F33-K62 HydrophobicContact CZ-CG 4.33Å; V39-K62 HydrophobicContact CG2-CD 4.25Å; L58-K62 WeakPolarHBondContact O-CB 3.16Å; L58-K62 PolarHBondContact O-N 3.28Å; H59-K62 PolarHBondContact O-N 2.94Å; K62-N66 VanDerWaalsContact O-CG 3.25Å; K62-N66 PolarHBondContact O-N 3.28Å; K62-N66 VanDerWaalsContact O-N 3.11Å; K62-N66 PolarHBondContact O-ND2 3.06Å |
| 63 | E | 91.7 | Very high | 92.2 | Very high | 83 Ų | 83 | 48.3 Ų | 48.3 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -53.2 | 176.7 | -171.8 | -165.9 | 130.8 | 0 | 0 | 111 | H59 R60 L61 M65 N66 D67 | H59-E63 PolarHBondContact O-N 2.94Å; R60-E63 PolarHBondContact O-N 3.25Å; L61-E63 PolarHBondContact O-N 3.38Å; E63-M65 VanDerWaalsContact C-N 3.32Å; E63-M65 PolarHBondContact O-N 3.2Å; E63-N66 WeakPolarHBondContact O-CB 3.48Å; E63-N66 PolarHBondContact O-N 3.06Å; E63-N66 VanDerWaalsContact O-N 3.07Å; E63-D67 PolarHBondContact O-N 3.22Å |
| 64 | K | 92.1 | Very high | 92.3 | Very high | 35 Ų | 35 | 51.9 Ų | 51.9 | 15% | 0.152 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.2 | -31.9 | -178.9 | -62.3 | -46.5 | 177.8 | -148 | 0 | 113.1 | A18 A19 R60 L61 N66 D67 C68 | A18-K64 HydrophobicContact CB-CB 4.33Å; A18-K64 HydrophobicContact CB-CG 4.45Å; A19-K64 HydrophobicContact CB-CB 4.16Å; A19-K64 HydrophobicContact CB-CG 4.1Å; R60-K64 WeakPolarHBondContact O-CG 3.45Å; R60-K64 PolarHBondContact O-N 3.01Å; L61-K64 PolarHBondContact O-N 3.19Å; K64-N66 VanDerWaalsContact C-N 3.34Å; K64-N66 PolarHBondContact O-N 3.21Å; K64-D67 IonicContact NZ-OD2 3.79Å; K64-D67 PolarHBondContact NZ-OD2 3.03Å; K64-D67 PolarHBondContact O-N 3.23Å; K64-C68 WeakPolarHBondContact O-CB 3.32Å; K64-C68 PolarHBondContact O-N 3.25Å; K64-C68 PolarHBondContact O-SG 3.04Å |
| 65 | M | 95.1 | Very high | 92.4 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.8 | -46.1 | 169.4 | -174.4 | -166.5 | 69 | 0 | 0 | 111.5 | V15 I30 F33 L61 E63 C68 K69 | V15-M65 HydrophobicContact CG1-CB 4.42Å; V15-M65 HydrophobicContact CG2-CB 4.23Å; I30-M65 HydrophobicContact CG1-CG 4.4Å; I30-M65 HydrophobicContact CG1-SD 4.17Å; I30-M65 HydrophobicContact CG2-SD 4.29Å; F33-M65 HydrophobicContact CB-CE 3.63Å; F33-M65 HydrophobicContact CB-SD 3.95Å; F33-M65 HydrophobicContact CD2-CE 4.25Å; F33-M65 HydrophobicContact CD2-SD 4.17Å; F33-M65 HydrophobicContact CG-CE 4.26Å; L61-M65 WeakPolarHBondContact O-CB 3.24Å; L61-M65 PolarHBondContact O-N 3.22Å; E63-M65 VanDerWaalsContact C-N 3.32Å; E63-M65 PolarHBondContact O-N 3.2Å; M65-C68 PolarHBondContact O-N 3.35Å; M65-K69 HydrophobicContact CG-CD 4.32Å; M65-K69 WeakPolarHBondContact O-CB 3.37Å; M65-K69 VanDerWaalsContact O-CG 3.3Å; M65-K69 WeakPolarHBondContact O-CG 3.5Å; M65-K69 PolarHBondContact O-N 2.76Å |
| 66 | N | 94.1 | Very high | 92.4 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 40% | 0.396 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.8 | -42.8 | 178.4 | -68.3 | -22.7 | 0 | 0 | 0 | 111.8 | K62 E63 K64 C68 K69 M70 | K62-N66 VanDerWaalsContact O-CG 3.25Å; K62-N66 PolarHBondContact O-N 3.28Å; K62-N66 VanDerWaalsContact O-N 3.11Å; K62-N66 PolarHBondContact O-ND2 3.06Å; E63-N66 WeakPolarHBondContact O-CB 3.48Å; E63-N66 PolarHBondContact O-N 3.06Å; E63-N66 VanDerWaalsContact O-N 3.07Å; K64-N66 VanDerWaalsContact C-N 3.34Å; K64-N66 PolarHBondContact O-N 3.21Å; N66-C68 PolarHBondContact O-N 2.83Å; N66-K69 PolarHBondContact O-N 3.1Å; N66-M70 WeakPolarHBondContact O-CG 3.46Å; N66-M70 PolarHBondContact O-N 2.86Å |
| 67 | D | 91.6 | Very high | 92.7 | Very high | 76 Ų | 76 | 52.3 Ų | 52.3 | 41% | 0.406 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.5 | -48.1 | 175.7 | -71.5 | -17.9 | 0 | 0 | 0 | 111.2 | E63 K64 M70 L71 | E63-D67 PolarHBondContact O-N 3.22Å; K64-D67 IonicContact NZ-OD2 3.79Å; K64-D67 PolarHBondContact NZ-OD2 3.03Å; K64-D67 PolarHBondContact O-N 3.23Å; D67-M70 PolarHBondContact O-N 3.41Å; D67-L71 PolarHBondContact O-N 3.25Å |
| 68 | C | 93.8 | Very high | 92.7 | Very high | 10 Ų | 10 | 51.7 Ų | 51.7 | 7% | 0.068 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.2 | -40.7 | 178 | -69.5 | 0 | 0 | 0 | 0 | 111.9 | L11 Q14 V15 K64 M65 N66 M70 L71 V72 | L11-C68 HydrophobicContact CD1-CB 3.52Å; Q14-C68 HydrophobicContact CB-CB 4.48Å; V15-C68 HydrophobicContact CG2-CB 3.77Å; K64-C68 WeakPolarHBondContact O-CB 3.32Å; K64-C68 PolarHBondContact O-N 3.25Å; K64-C68 PolarHBondContact O-SG 3.04Å; M65-C68 PolarHBondContact O-N 3.35Å; N66-C68 PolarHBondContact O-N 2.83Å; C68-M70 VanDerWaalsContact C-N 3.34Å; C68-M70 PolarHBondContact O-N 3.03Å; C68-L71 WeakPolarHBondContact O-CB 3.3Å; C68-L71 PolarHBondContact O-N 3.29Å; C68-L71 VanDerWaalsContact O-N 3.15Å; C68-V72 WeakPolarHBondContact O-CG2 3.38Å; C68-V72 PolarHBondContact O-N 3.14Å |
| 69 | K | 93.4 | Very high | 92.5 | Very high | 69 Ų | 69 | 53.1 Ų | 53.1 | 30% | 0.3 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 174.1 | -78.1 | -177.8 | 176.2 | -170 | 0 | 111.9 | L11 E34 M65 N66 L71 V72 D73 | L11-K69 HydrophobicContact CD1-CG 4.11Å; L11-K69 HydrophobicContact CD2-CD 4.35Å; L11-K69 HydrophobicContact CD2-CG 3.79Å; E34-K69 VanDerWaalsContact CG-NZ 3.34Å; E34-K69 IonicContact OE1-NZ 2.75Å; E34-K69 PolarHBondContact OE1-NZ 3.36Å; M65-K69 HydrophobicContact CG-CD 4.32Å; M65-K69 WeakPolarHBondContact O-CB 3.37Å; M65-K69 VanDerWaalsContact O-CG 3.3Å; M65-K69 WeakPolarHBondContact O-CG 3.5Å; M65-K69 PolarHBondContact O-N 2.76Å; N66-K69 PolarHBondContact O-N 3.1Å; K69-L71 VanDerWaalsContact C-N 3.3Å; K69-L71 PolarHBondContact O-N 3.46Å; K69-V72 PolarHBondContact O-N 2.92Å; K69-D73 WeakPolarHBondContact O-CB 3.44Å; K69-D73 PolarHBondContact O-N 3.46Å |
| 70 | M | 93.6 | Very high | 92.5 | Very high | 111 Ų | 111 | 56.6 Ų | 56.6 | 55% | 0.547 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.1 | -34.1 | 175 | -73 | -175.8 | 66.6 | 0 | 0 | 112.7 | N66 D67 C68 K74 | N66-M70 WeakPolarHBondContact O-CG 3.46Å; N66-M70 PolarHBondContact O-N 2.86Å; D67-M70 PolarHBondContact O-N 3.41Å; C68-M70 VanDerWaalsContact C-N 3.34Å; C68-M70 PolarHBondContact O-N 3.03Å; M70-K74 WeakPolarHBondContact O-CG 3.36Å; M70-K74 PolarHBondContact O-N 2.7Å |
| 71 | L | 92.8 | Very high | 92.5 | Very high | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -50.3 | 174.8 | -177.9 | 72 | 0 | 0 | 0 | 110.8 | D67 C68 K69 D73 K74 I75 K100 T102 I105 | D67-L71 PolarHBondContact O-N 3.25Å; C68-L71 WeakPolarHBondContact O-CB 3.3Å; C68-L71 PolarHBondContact O-N 3.29Å; C68-L71 VanDerWaalsContact O-N 3.15Å; K69-L71 VanDerWaalsContact C-N 3.3Å; K69-L71 PolarHBondContact O-N 3.46Å; L71-D73 PolarHBondContact O-N 3.44Å; L71-K74 WeakPolarHBondContact O-CB 3.43Å; L71-K74 PolarHBondContact O-N 2.95Å; L71-K74 VanDerWaalsContact O-N 3.14Å; L71-I75 HydrophobicContact CG-CD1 4.08Å; L71-I75 WeakPolarHBondContact O-CG1 3.47Å; L71-I75 PolarHBondContact O-N 2.94Å; L71-K100 VanDerWaalsContact CD2-O 3.27Å; L71-K100 WeakPolarHBondContact CD2-O 3.36Å; L71-T102 HydrophobicContact CD1-CG2 4Å; L71-I105 HydrophobicContact CD1-CD1 3.6Å; L71-I105 HydrophobicContact CD1-CG1 4.43Å |
| 72 | V | 91.5 | Very high | 92.2 | Very high | 24 Ų | 24 | 57.6 Ų | 57.6 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.9 | -49.3 | 178.4 | 171.2 | 0 | 0 | 0 | 0 | 111 | I9 C68 K69 K74 I75 E76 | I9-V72 HydrophobicContact CB-CG2 4.12Å; I9-V72 HydrophobicContact CD1-CG1 4.31Å; I9-V72 HydrophobicContact CD1-CG2 4.1Å; I9-V72 HydrophobicContact CG2-CG2 3.69Å; C68-V72 WeakPolarHBondContact O-CG2 3.38Å; C68-V72 PolarHBondContact O-N 3.14Å; K69-V72 PolarHBondContact O-N 2.92Å; V72-K74 VanDerWaalsContact C-N 3.29Å; V72-K74 PolarHBondContact O-N 3.22Å; V72-I75 WeakPolarHBondContact O-CB 2.96Å; V72-I75 PolarHBondContact O-N 3.48Å; V72-E76 HydrophobicContact CG1-CG 4.48Å; V72-E76 WeakPolarHBondContact O-CG 3.33Å; V72-E76 PolarHBondContact O-N 3.45Å |
| 73 | D | 91.9 | Very high | 92 | Very high | 65 Ų | 65 | 59.4 Ų | 59.4 | 35% | 0.348 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.5 | -38.8 | 176.9 | 171.7 | 70.2 | 0 | 0 | 0 | 112.4 | K69 L71 K77 | K69-D73 WeakPolarHBondContact O-CB 3.44Å; K69-D73 PolarHBondContact O-N 3.46Å; L71-D73 PolarHBondContact O-N 3.44Å; D73-K77 WeakPolarHBondContact O-CB 2.99Å; D73-K77 VanDerWaalsContact O-CG 3.29Å; D73-K77 WeakPolarHBondContact O-CG 3.44Å; D73-K77 PolarHBondContact O-N 2.86Å; D73-K77 WeakPolarHBondContact OD1-CE 3.29Å; D73-K77 IonicContact OD1-NZ 3.74Å; D73-K77 PolarHBondContact OD1-NZ 3.16Å; D73-K77 WeakPolarHBondContact OD2-CE 3.39Å; D73-K77 IonicContact OD2-NZ 2.93Å; D73-K77 PolarHBondContact OD2-NZ 2.95Å |
| 74 | K | 93.1 | Very high | 91.9 | Very high | 89 Ų | 89 | 63.8 Ų | 63.8 | 39% | 0.387 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.6 | -37 | 175.1 | -79 | 177.5 | -179.5 | 174.1 | 0 | 113 | M70 L71 V72 S78 T102 I105 | M70-K74 WeakPolarHBondContact O-CG 3.36Å; M70-K74 PolarHBondContact O-N 2.7Å; L71-K74 WeakPolarHBondContact O-CB 3.43Å; L71-K74 PolarHBondContact O-N 2.95Å; L71-K74 VanDerWaalsContact O-N 3.14Å; V72-K74 VanDerWaalsContact C-N 3.29Å; V72-K74 PolarHBondContact O-N 3.22Å; K74-S78 WeakPolarHBondContact O-CB 3.36Å; K74-S78 PolarHBondContact O-N 2.87Å; K74-S78 PolarHBondContact O-OG 2.79Å; K74-T102 HydrophobicContact CD-CG2 4.03Å; K74-I105 HydrophobicContact CB-CD1 3.88Å |
| 75 | I | 92.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.7 | -50.7 | 175.2 | -67.3 | 169.1 | 0 | 0 | 0 | 109 | I9 L71 V72 K77 S78 L79 L96 M97 C99 I105 | I9-I75 HydrophobicContact CD1-CB 4.35Å; I9-I75 HydrophobicContact CD1-CD1 3.86Å; I9-I75 HydrophobicContact CD1-CG2 4.12Å; L71-I75 HydrophobicContact CG-CD1 4.08Å; L71-I75 WeakPolarHBondContact O-CG1 3.47Å; L71-I75 PolarHBondContact O-N 2.94Å; V72-I75 WeakPolarHBondContact O-CB 2.96Å; V72-I75 PolarHBondContact O-N 3.48Å; I75-K77 PolarHBondContact O-N 3.13Å; I75-S78 WeakPolarHBondContact O-CB 3.5Å; I75-S78 PolarHBondContact O-N 2.75Å; I75-S78 VanDerWaalsContact O-N 3.09Å; I75-L79 HydrophobicContact CG2-CD1 3.95Å; I75-L79 HydrophobicContact CG2-CG 4.41Å; I75-L79 WeakPolarHBondContact O-CG 3.49Å; I75-L79 PolarHBondContact O-N 2.94Å; I75-L96 HydrophobicContact CG2-CB 4.47Å; I75-M97 HydrophobicContact CG2-SD 3.97Å; I75-C99 HydrophobicContact CD1-CB 4.11Å; I75-C99 HydrophobicContact CG1-CB 4.43Å; I75-I105 HydrophobicContact CD1-CD1 4.44Å; I75-I105 HydrophobicContact CG1-CD1 3.54Å; I75-I105 HydrophobicContact CG1-CG1 4.08Å |
| 76 | E | 91.4 | Very high | 91.1 | Very high | 97 Ų | 97 | 67.8 Ų | 67.8 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 179.2 | -71.4 | -178.1 | 176.8 | 0 | 0 | 112.2 | V72 S78 L79 Q80 | V72-E76 HydrophobicContact CG1-CG 4.48Å; V72-E76 WeakPolarHBondContact O-CG 3.33Å; V72-E76 PolarHBondContact O-N 3.45Å; E76-S78 VanDerWaalsContact C-N 3.3Å; E76-S78 PolarHBondContact O-N 2.87Å; E76-L79 PolarHBondContact O-N 3.2Å; E76-Q80 WeakPolarHBondContact O-CB 3.38Å; E76-Q80 VanDerWaalsContact O-CG 3.29Å; E76-Q80 WeakPolarHBondContact O-CG 3.35Å; E76-Q80 PolarHBondContact O-N 3Å |
| 77 | K | 91.4 | Very high | 90.6 | Very high | 115 Ų | 115 | 68.1 Ų | 68.1 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 175.4 | -77 | 171.1 | 178.8 | 160.2 | 0 | 112.6 | D73 I75 F81 | D73-K77 WeakPolarHBondContact O-CB 2.99Å; D73-K77 VanDerWaalsContact O-CG 3.29Å; D73-K77 WeakPolarHBondContact O-CG 3.44Å; D73-K77 PolarHBondContact O-N 2.86Å; D73-K77 WeakPolarHBondContact OD1-CE 3.29Å; D73-K77 IonicContact OD1-NZ 3.74Å; D73-K77 PolarHBondContact OD1-NZ 3.16Å; D73-K77 WeakPolarHBondContact OD2-CE 3.39Å; D73-K77 IonicContact OD2-NZ 2.93Å; D73-K77 PolarHBondContact OD2-NZ 2.95Å; I75-K77 PolarHBondContact O-N 3.13Å; K77-F81 VanDerWaalsContact O-CB 3.29Å; K77-F81 WeakPolarHBondContact O-CB 3.24Å; K77-F81 PolarHBondContact O-N 3.16Å |
| 78 | S | 91.3 | Very high | 90.3 | Very high | 19 Ų | 19 | 67 Ų | 67 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.7 | -45.1 | 177.3 | -58.6 | 0 | 0 | 0 | 0 | 111 | K74 I75 E76 Q80 F81 F82 | K74-S78 WeakPolarHBondContact O-CB 3.36Å; K74-S78 PolarHBondContact O-N 2.87Å; K74-S78 PolarHBondContact O-OG 2.79Å; I75-S78 WeakPolarHBondContact O-CB 3.5Å; I75-S78 PolarHBondContact O-N 2.75Å; I75-S78 VanDerWaalsContact O-N 3.09Å; E76-S78 VanDerWaalsContact C-N 3.3Å; E76-S78 PolarHBondContact O-N 2.87Å; S78-Q80 PolarHBondContact O-N 3.44Å; S78-F81 PolarHBondContact O-N 3.01Å; S78-F82 WeakPolarHBondContact O-CD2 3.39Å; S78-F82 PolarHBondContact O-N 3.31Å |
| 79 | L | 91.3 | Very high | 90 | Very high | 30 Ų | 30 | 70.4 Ų | 70.4 | 16% | 0.157 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.9 | -49 | 174.6 | -71.3 | 168.2 | 0 | 0 | 0 | 111.2 | I75 E76 F81 F82 D83 L88 L96 M97 | I75-L79 HydrophobicContact CG2-CD1 3.95Å; I75-L79 HydrophobicContact CG2-CG 4.41Å; I75-L79 WeakPolarHBondContact O-CG 3.49Å; I75-L79 PolarHBondContact O-N 2.94Å; E76-L79 PolarHBondContact O-N 3.2Å; L79-F81 VanDerWaalsContact C-N 3.33Å; L79-F81 PolarHBondContact O-N 3.43Å; L79-F82 PolarHBondContact O-N 2.88Å; L79-D83 VanDerWaalsContact O-CB 3.28Å; L79-D83 WeakPolarHBondContact O-CB 3.46Å; L79-D83 PolarHBondContact O-N 3.37Å; L79-L88 HydrophobicContact CD2-CD1 3.94Å; L79-L96 HydrophobicContact CD2-CB 4.06Å; L79-L96 HydrophobicContact CD2-CD1 3.68Å; L79-L96 HydrophobicContact CG-CB 4.48Å; L79-L96 HydrophobicContact CG-CD1 4.16Å; L79-M97 HydrophobicContact CD1-SD 3.63Å |
| 80 | Q | 90.8 | Very high | 89.6 | Confident | 102 Ų | 102 | 73.8 Ų | 73.8 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 177.5 | -71.5 | 175.8 | 19.3 | 0 | 0 | 112.8 | E76 S78 K84 | E76-Q80 WeakPolarHBondContact O-CB 3.38Å; E76-Q80 VanDerWaalsContact O-CG 3.29Å; E76-Q80 WeakPolarHBondContact O-CG 3.35Å; E76-Q80 PolarHBondContact O-N 3Å; S78-Q80 PolarHBondContact O-N 3.44Å; Q80-K84 WeakPolarHBondContact O-CB 3.43Å; Q80-K84 VanDerWaalsContact O-CG 3.3Å; Q80-K84 WeakPolarHBondContact O-CG 3.45Å; Q80-K84 PolarHBondContact O-N 3.31Å |
| 81 | F | 90.1 | Very high | 89.2 | Confident | 118 Ų | 118 | 73.2 Ų | 73.2 | 52% | 0.518 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 178.2 | 173.9 | -96.8 | 0 | 0 | 0 | 111.6 | K77 S78 L79 S85 | K77-F81 VanDerWaalsContact O-CB 3.29Å; K77-F81 WeakPolarHBondContact O-CB 3.24Å; K77-F81 PolarHBondContact O-N 3.16Å; S78-F81 PolarHBondContact O-N 3.01Å; L79-F81 VanDerWaalsContact C-N 3.33Å; L79-F81 PolarHBondContact O-N 3.43Å; F81-S85 WeakPolarHBondContact O-CB 3.2Å; F81-S85 PolarHBondContact O-N 3.42Å; F81-S85 PolarHBondContact O-OG 3.47Å |
| 82 | F | 88.6 | Confident | 88.8 | Confident | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.018 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72 | -34.7 | 180 | -70.8 | -56.9 | 0 | 0 | 0 | 113.1 | S78 L79 S85 G86 L87 L88 L92 L96 T109 F112 | S78-F82 WeakPolarHBondContact O-CD2 3.39Å; S78-F82 PolarHBondContact O-N 3.31Å; L79-F82 PolarHBondContact O-N 2.88Å; F82-S85 PolarHBondContact O-N 3.3Å; F82-G86 PolarHBondContact O-N 2.84Å; F82-G86 VanDerWaalsContact O-N 3.15Å; F82-L87 HydrophobicContact CD1-CB 4.08Å; F82-L87 PolarHBondContact O-N 2.74Å; F82-L88 HydrophobicContact CB-CB 3.91Å; F82-L88 HydrophobicContact CB-CD1 4.04Å; F82-L88 PolarHBondContact O-N 2.98Å; F82-L92 HydrophobicContact CB-CD2 4.43Å; F82-L92 HydrophobicContact CD1-CD2 4.36Å; F82-L92 HydrophobicContact CD2-CD2 4Å; F82-L92 HydrophobicContact CE2-CD2 4.39Å; F82-L92 HydrophobicContact CG-CD2 4Å; F82-L96 HydrophobicContact CD2-CD1 4.1Å; F82-L96 HydrophobicContact CE2-CD1 4.45Å; F82-T109 HydrophobicContact CE2-CG2 3.59Å; F82-T109 HydrophobicContact CZ-CG2 3.89Å; F82-F112 HydrophobicContact CD1-CB 4.49Å; F82-F112 HydrophobicContact CD1-CG 4.35Å; F82-F112 HydrophobicContact CE1-CB 3.39Å; F82-F112 HydrophobicContact CE1-CD1 4.17Å; F82-F112 AromaticContact CE1-CD2 3.59Å; F82-F112 HydrophobicContact CE1-CD2 3.59Å; F82-F112 HydrophobicContact CE1-CE2 4.39Å; F82-F112 AromaticContact CE1-CG 3.46Å; F82-F112 HydrophobicContact CE1-CG 3.46Å; F82-F112 VanDerWaalsContact CE1-CG 3.46Å; F82-F112 HydrophobicContact CZ-CB 3.9Å; F82-F112 AromaticContact CZ-CD2 3.61Å; F82-F112 HydrophobicContact CZ-CD2 3.61Å; F82-F112 HydrophobicContact CZ-CE2 4.39Å; F82-F112 AromaticContact CZ-CG 3.94Å; F82-F112 HydrophobicContact CZ-CG 3.94Å |
| 83 | D | 89.6 | Confident | 88.7 | Confident | 111 Ų | 111 | 74.1 Ų | 74.1 | 59% | 0.594 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.5 | -50.5 | 174.7 | -171 | 43.6 | 0 | 0 | 0 | 110.4 | L79 S85 G86 L88 | L79-D83 VanDerWaalsContact O-CB 3.28Å; L79-D83 WeakPolarHBondContact O-CB 3.46Å; L79-D83 PolarHBondContact O-N 3.37Å; D83-S85 VanDerWaalsContact C-N 3.26Å; D83-S85 PolarHBondContact O-N 3.04Å; D83-G86 PolarHBondContact O-N 2.76Å; D83-L88 HydrophobicContact CB-CB 4.45Å; D83-L88 HydrophobicContact CB-CD2 3.89Å |
| 84 | K | 89.8 | Confident | 88.5 | Confident | 175 Ų | 175 | 76.2 Ų | 76.2 | 76% | 0.761 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.2 | -31.2 | 175.9 | -72.8 | 177.7 | -178.2 | 178.6 | 0 | 113.7 | Q80 G86 | Q80-K84 WeakPolarHBondContact O-CB 3.43Å; Q80-K84 VanDerWaalsContact O-CG 3.3Å; Q80-K84 WeakPolarHBondContact O-CG 3.45Å; Q80-K84 PolarHBondContact O-N 3.31Å; K84-G86 VanDerWaalsContact C-N 3.27Å |
| 85 | S | 85.6 | Confident | 88.3 | Confident | 56 Ų | 56 | 73 Ų | 73 | 39% | 0.392 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -4.2 | 178.7 | -54.4 | 0 | 0 | 0 | 0 | 112.9 | F81 F82 D83 L87 | F81-S85 WeakPolarHBondContact O-CB 3.2Å; F81-S85 PolarHBondContact O-N 3.42Å; F81-S85 PolarHBondContact O-OG 3.47Å; F82-S85 PolarHBondContact O-N 3.3Å; D83-S85 VanDerWaalsContact C-N 3.26Å; D83-S85 PolarHBondContact O-N 3.04Å; S85-L87 PolarHBondContact O-N 2.93Å |
| 86 | G | 85 | Confident | 88.2 | Confident | 71 Ų | 71 | 73 Ų | 73 | 73% | 0.732 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 16.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F82 D83 K84 | F82-G86 PolarHBondContact O-N 2.84Å; F82-G86 VanDerWaalsContact O-N 3.15Å; D83-G86 PolarHBondContact O-N 2.76Å; K84-G86 VanDerWaalsContact C-N 3.27Å |
| 87 | L | 83 | Confident | 88 | Confident | 80 Ų | 80 | 70.6 Ų | 70.6 | 42% | 0.419 | 37% | 0.374 | S | S | . | . | trans | -102.8 | -3.2 | -176.9 | -66.5 | 172.1 | 0 | 0 | 0 | 112.6 | F82 S85 T89 F112 | F82-L87 HydrophobicContact CD1-CB 4.08Å; F82-L87 PolarHBondContact O-N 2.74Å; S85-L87 PolarHBondContact O-N 2.93Å; L87-T89 PolarHBondContact O-N 2.95Å; L87-F112 HydrophobicContact CD1-CD1 4.11Å | ||
| 88 | L | 85.8 | Confident | 87.8 | Confident | 53 Ų | 53 | 69.7 Ų | 69.7 | 28% | 0.277 | 37% | 0.37 | S | S | . | . | trans | -76 | 104.8 | -178.4 | -172.2 | 65 | 0 | 0 | 0 | 110.9 | L79 F82 D83 L92 | L79-L88 HydrophobicContact CD2-CD1 3.94Å; F82-L88 HydrophobicContact CB-CB 3.91Å; F82-L88 HydrophobicContact CB-CD1 4.04Å; F82-L88 PolarHBondContact O-N 2.98Å; D83-L88 HydrophobicContact CB-CB 4.45Å; D83-L88 HydrophobicContact CB-CD2 3.89Å; L88-L92 HydrophobicContact CD1-CD2 4.44Å; L88-L92 HydrophobicContact CD1-CG 4.43Å | ||
| 89 | T | 87 | Confident | 87.7 | Confident | 81 Ų | 81 | 68.9 Ų | 68.9 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | trans | -89.1 | 157.4 | 169.4 | 65.8 | 0 | 0 | 0 | 0 | 110.7 | L87 E91 L92 S93 | L87-T89 PolarHBondContact O-N 2.95Å; T89-E91 PolarHBondContact O-N 2.96Å; T89-L92 PolarHBondContact O-N 2.95Å; T89-L92 VanDerWaalsContact OG1-CB 3.31Å; T89-L92 WeakPolarHBondContact OG1-CB 3.43Å; T89-L92 PolarHBondContact OG1-N 2.75Å; T89-L92 VanDerWaalsContact OG1-N 3.12Å; T89-S93 PolarHBondContact O-N 3.49Å | ||
| 90 | N | 86.2 | Confident | 87.5 | Confident | 141 Ų | 141 | 73.5 Ų | 73.5 | 75% | 0.754 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -56.5 | -40 | 174.6 | -72.6 | -20.3 | 0 | 0 | 0 | 111.8 | S93 Q94 | N90-S93 PolarHBondContact O-N 3.3Å; N90-Q94 WeakPolarHBondContact O-CG 3.48Å; N90-Q94 PolarHBondContact O-N 3.05Å |
| 91 | E | 84.3 | Confident | 87.3 | Confident | 98 Ų | 98 | 71.4 Ų | 71.4 | 46% | 0.458 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.8 | -48.9 | 176.8 | -176.7 | 59.1 | -153.4 | 0 | 0 | 111.3 | T89 S93 Q94 Q95 | T89-E91 PolarHBondContact O-N 2.96Å; E91-S93 VanDerWaalsContact C-N 3.3Å; E91-S93 PolarHBondContact O-N 3.48Å; E91-Q94 PolarHBondContact O-N 3.39Å; E91-Q94 VanDerWaalsContact O-N 3.16Å; E91-Q95 WeakPolarHBondContact O-CG 3.37Å; E91-Q95 PolarHBondContact O-N 3.26Å; E91-Q95 PolarHBondContact OE1-NE2 3.49Å |
| 92 | L | 85.7 | Confident | 87.2 | Confident | 14 Ų | 14 | 69.1 Ų | 69.1 | 7% | 0.073 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 178.5 | -179.6 | 61 | 0 | 0 | 0 | 111.4 | F82 L88 T89 Q95 L96 L108 F112 | F82-L92 HydrophobicContact CB-CD2 4.43Å; F82-L92 HydrophobicContact CD1-CD2 4.36Å; F82-L92 HydrophobicContact CD2-CD2 4Å; F82-L92 HydrophobicContact CE2-CD2 4.39Å; F82-L92 HydrophobicContact CG-CD2 4Å; L88-L92 HydrophobicContact CD1-CD2 4.44Å; L88-L92 HydrophobicContact CD1-CG 4.43Å; T89-L92 PolarHBondContact O-N 2.95Å; T89-L92 VanDerWaalsContact OG1-CB 3.31Å; T89-L92 WeakPolarHBondContact OG1-CB 3.43Å; T89-L92 PolarHBondContact OG1-N 2.75Å; T89-L92 VanDerWaalsContact OG1-N 3.12Å; L92-Q95 PolarHBondContact O-N 2.87Å; L92-L96 HydrophobicContact CD1-CD1 4.29Å; L92-L96 HydrophobicContact CD1-CG 4.28Å; L92-L96 HydrophobicContact CG-CD1 4.08Å; L92-L96 WeakPolarHBondContact O-CB 3.14Å; L92-L96 WeakPolarHBondContact O-CG 3.36Å; L92-L96 PolarHBondContact O-N 2.74Å; L92-L108 HydrophobicContact CD1-CB 4.45Å; L92-F112 HydrophobicContact CD1-CE2 4.22Å; L92-F112 HydrophobicContact CD2-CE2 3.88Å; L92-F112 HydrophobicContact CD2-CZ 3.91Å |
| 93 | S | 89.1 | Confident | 87 | Confident | 38 Ų | 38 | 73 Ų | 73 | 27% | 0.266 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 174.9 | -171 | 0 | 0 | 0 | 0 | 111.1 | T89 N90 E91 Q95 L96 M97 | T89-S93 PolarHBondContact O-N 3.49Å; N90-S93 PolarHBondContact O-N 3.3Å; E91-S93 VanDerWaalsContact C-N 3.3Å; E91-S93 PolarHBondContact O-N 3.48Å; S93-Q95 PolarHBondContact O-N 2.88Å; S93-L96 PolarHBondContact O-N 3.29Å; S93-M97 VanDerWaalsContact O-CG 3.25Å; S93-M97 WeakPolarHBondContact O-CG 3.33Å; S93-M97 PolarHBondContact O-N 3.44Å; S93-M97 VanDerWaalsContact O-N 3.12Å |
| 94 | Q | 87.6 | Confident | 87 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 178.4 | -73.2 | -178.6 | 7.4 | 0 | 0 | 112.5 | N90 E91 M97 K98 | N90-Q94 WeakPolarHBondContact O-CG 3.48Å; N90-Q94 PolarHBondContact O-N 3.05Å; E91-Q94 PolarHBondContact O-N 3.39Å; E91-Q94 VanDerWaalsContact O-N 3.16Å; Q94-M97 PolarHBondContact O-N 3.11Å; Q94-K98 WeakPolarHBondContact O-CG 3.5Å; Q94-K98 PolarHBondContact O-N 2.9Å |
| 95 | Q | 87.9 | Confident | 87 | Confident | 22 Ų | 22 | 60.9 Ų | 60.9 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.6 | -40.4 | 178.2 | -67.6 | -150.3 | -2.9 | 0 | 0 | 112.6 | E91 L92 S93 M97 K98 C99 L108 L179 | E91-Q95 WeakPolarHBondContact O-CG 3.37Å; E91-Q95 PolarHBondContact O-N 3.26Å; E91-Q95 PolarHBondContact OE1-NE2 3.49Å; L92-Q95 PolarHBondContact O-N 2.87Å; S93-Q95 PolarHBondContact O-N 2.88Å; Q95-M97 VanDerWaalsContact C-N 3.32Å; Q95-M97 PolarHBondContact O-N 3.45Å; Q95-K98 PolarHBondContact O-N 3.34Å; Q95-K98 VanDerWaalsContact O-N 3.12Å; Q95-C99 PolarHBondContact O-N 2.89Å; Q95-L108 HydrophobicContact CB-CD1 3.74Å; Q95-L108 HydrophobicContact CB-CD2 4.23Å; Q95-L108 VanDerWaalsContact OE1-CD2 3.26Å; Q95-L179 HydrophobicContact CB-CD1 4.28Å |
| 96 | L | 90.3 | Very high | 87 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 174.5 | -77.6 | 169.9 | 0 | 0 | 0 | 111.9 | I75 L79 F82 L92 S93 K98 C99 I105 L108 T109 | I75-L96 HydrophobicContact CG2-CB 4.47Å; L79-L96 HydrophobicContact CD2-CB 4.06Å; L79-L96 HydrophobicContact CD2-CD1 3.68Å; L79-L96 HydrophobicContact CG-CB 4.48Å; L79-L96 HydrophobicContact CG-CD1 4.16Å; F82-L96 HydrophobicContact CD2-CD1 4.1Å; F82-L96 HydrophobicContact CE2-CD1 4.45Å; L92-L96 HydrophobicContact CD1-CD1 4.29Å; L92-L96 HydrophobicContact CD1-CG 4.28Å; L92-L96 HydrophobicContact CG-CD1 4.08Å; L92-L96 WeakPolarHBondContact O-CB 3.14Å; L92-L96 WeakPolarHBondContact O-CG 3.36Å; L92-L96 PolarHBondContact O-N 2.74Å; S93-L96 PolarHBondContact O-N 3.29Å; L96-K98 PolarHBondContact O-N 3.4Å; L96-C99 VanDerWaalsContact O-CB 3.31Å; L96-C99 WeakPolarHBondContact O-CB 3.45Å; L96-C99 PolarHBondContact O-N 3.14Å; L96-C99 VanDerWaalsContact O-N 3.13Å; L96-C99 PolarHBondContact O-SG 3.01Å; L96-I105 HydrophobicContact CD2-CG2 4.5Å; L96-L108 HydrophobicContact CD2-CB 4.37Å; L96-L108 HydrophobicContact CD2-CD1 3.99Å; L96-L108 HydrophobicContact CG-CD1 4.18Å; L96-T109 HydrophobicContact CD2-CG2 4.45Å |
| 97 | M | 88.1 | Confident | 86.9 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.5 | -22.1 | 177 | -64.6 | -56.4 | -89.5 | 0 | 0 | 113.3 | M7 I9 I75 L79 S93 Q94 Q95 | M7-M97 HydrophobicContact CB-CE 3.95Å; M7-M97 WeakPolarHBondContact O-CE 3.41Å; I9-M97 HydrophobicContact CD1-CE 4.37Å; I9-M97 HydrophobicContact CD1-SD 4.31Å; I9-M97 HydrophobicContact CG1-CE 3.9Å; I9-M97 HydrophobicContact CG1-SD 4.45Å; I75-M97 HydrophobicContact CG2-SD 3.97Å; L79-M97 HydrophobicContact CD1-SD 3.63Å; S93-M97 VanDerWaalsContact O-CG 3.25Å; S93-M97 WeakPolarHBondContact O-CG 3.33Å; S93-M97 PolarHBondContact O-N 3.44Å; S93-M97 VanDerWaalsContact O-N 3.12Å; Q94-M97 PolarHBondContact O-N 3.11Å; Q95-M97 VanDerWaalsContact C-N 3.32Å; Q95-M97 PolarHBondContact O-N 3.45Å |
| 98 | K | 87.3 | Confident | 86.9 | Confident | 96 Ų | 96 | 58.8 Ų | 58.8 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -10.4 | 174.3 | -69.6 | 172.1 | -177.9 | 175.4 | 0 | 112.6 | Q94 Q95 L96 K100 R183 | Q94-K98 WeakPolarHBondContact O-CG 3.5Å; Q94-K98 PolarHBondContact O-N 2.9Å; Q95-K98 PolarHBondContact O-N 3.34Å; Q95-K98 VanDerWaalsContact O-N 3.12Å; L96-K98 PolarHBondContact O-N 3.4Å; K98-K100 PolarHBondContact O-N 3.38Å; K98-R183 PolarHBondContact O-NH2 3.22Å |
| 99 | C | 89.4 | Confident | 86.8 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | trans | -60.1 | 130.9 | -176.5 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | I75 Q95 L96 D104 I105 | I75-C99 HydrophobicContact CD1-CB 4.11Å; I75-C99 HydrophobicContact CG1-CB 4.43Å; Q95-C99 PolarHBondContact O-N 2.89Å; L96-C99 VanDerWaalsContact O-CB 3.31Å; L96-C99 WeakPolarHBondContact O-CB 3.45Å; L96-C99 PolarHBondContact O-N 3.14Å; L96-C99 VanDerWaalsContact O-N 3.13Å; L96-C99 PolarHBondContact O-SG 3.01Å; C99-D104 HydrophobicContact CB-CB 3.86Å; C99-I105 HydrophobicContact CB-CG1 3.81Å | ||
| 100 | K | 86.3 | Confident | 86.3 | Confident | 127 Ų | 127 | 56.3 Ų | 56.3 | 55% | 0.552 | 28% | 0.282 | S | S | * | . | trans | -106.6 | -16.7 | 174.8 | -64.6 | -162.9 | 175.6 | -156.7 | 0 | 112.6 | E17 L71 K98 D104 | E17-K100 IonicContact OE2-NZ 3.27Å; E17-K100 PolarHBondContact OE2-NZ 3.43Å; L71-K100 VanDerWaalsContact CD2-O 3.27Å; L71-K100 WeakPolarHBondContact CD2-O 3.36Å; K98-K100 PolarHBondContact O-N 3.38Å; K100-D104 PolarHBondContact N-OD2 3.13Å | ||
| 101 | T | 87.1 | Confident | 85.6 | Confident | 58 Ų | 58 | 52.2 Ų | 52.2 | 36% | 0.356 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -132.9 | 159.5 | -179 | 79.8 | 0 | 0 | 0 | 0 | 111.8 | E103 D104 I105 | T101-E103 PolarHBondContact O-N 2.76Å; T101-E103 PolarHBondContact OG1-N 3.28Å; T101-D104 PolarHBondContact N-OD2 2.88Å; T101-D104 WeakPolarHBondContact O-CB 3.31Å; T101-D104 PolarHBondContact O-N 2.86Å; T101-D104 VanDerWaalsContact OG1-CG 3.22Å; T101-D104 PolarHBondContact OG1-N 2.9Å; T101-D104 PolarHBondContact OG1-OD1 3.45Å; T101-I105 PolarHBondContact O-N 3.41Å |
| 102 | T | 88.5 | Confident | 85.1 | Confident | 71 Ų | 71 | 51.4 Ų | 51.4 | 44% | 0.436 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67 | -20.3 | 172.1 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | L71 K74 K106 | L71-T102 HydrophobicContact CD1-CG2 4Å; K74-T102 HydrophobicContact CD-CG2 4.03Å; T102-K106 PolarHBondContact O-N 3.22Å; T102-K106 VanDerWaalsContact O-N 3.12Å |
| 103 | E | 84.6 | Confident | 84.3 | Confident | 84 Ų | 84 | 55.7 Ų | 55.7 | 39% | 0.393 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -72.5 | -39.1 | 174.1 | -61.9 | -173.6 | 155.5 | 0 | 0 | 110.9 | T101 I105 K106 L107 | T101-E103 PolarHBondContact O-N 2.76Å; T101-E103 PolarHBondContact OG1-N 3.28Å; E103-I105 VanDerWaalsContact C-N 3.33Å; E103-I105 PolarHBondContact O-N 3.32Å; E103-K106 WeakPolarHBondContact O-CB 3.29Å; E103-K106 PolarHBondContact O-N 3.31Å; E103-K106 VanDerWaalsContact O-N 3.1Å; E103-L107 PolarHBondContact O-N 3.04Å |
| 104 | D | 88.6 | Confident | 82.7 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.7 | -47.8 | 174 | -56.1 | -3.7 | 0 | 0 | 0 | 110.4 | C99 K100 T101 K106 L107 L108 L179 | C99-D104 HydrophobicContact CB-CB 3.86Å; K100-D104 PolarHBondContact N-OD2 3.13Å; T101-D104 PolarHBondContact N-OD2 2.88Å; T101-D104 WeakPolarHBondContact O-CB 3.31Å; T101-D104 PolarHBondContact O-N 2.86Å; T101-D104 VanDerWaalsContact OG1-CG 3.22Å; T101-D104 PolarHBondContact OG1-N 2.9Å; T101-D104 PolarHBondContact OG1-OD1 3.45Å; D104-K106 VanDerWaalsContact C-N 3.27Å; D104-K106 PolarHBondContact O-N 3.39Å; D104-L107 WeakPolarHBondContact O-CB 3.4Å; D104-L107 PolarHBondContact O-N 3.38Å; D104-L108 WeakPolarHBondContact O-CG 3.4Å; D104-L108 PolarHBondContact O-N 2.89Å; D104-L179 HydrophobicContact CB-CD2 4.25Å |
| 105 | I | 90.6 | Very high | 80.9 | Confident | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.051 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60 | -42.5 | 177.5 | -59.7 | 173.1 | 0 | 0 | 0 | 109.7 | L71 K74 I75 L96 C99 T101 E103 L108 T109 | L71-I105 HydrophobicContact CD1-CD1 3.6Å; L71-I105 HydrophobicContact CD1-CG1 4.43Å; K74-I105 HydrophobicContact CB-CD1 3.88Å; I75-I105 HydrophobicContact CD1-CD1 4.44Å; I75-I105 HydrophobicContact CG1-CD1 3.54Å; I75-I105 HydrophobicContact CG1-CG1 4.08Å; L96-I105 HydrophobicContact CD2-CG2 4.5Å; C99-I105 HydrophobicContact CB-CG1 3.81Å; T101-I105 PolarHBondContact O-N 3.41Å; E103-I105 VanDerWaalsContact C-N 3.33Å; E103-I105 PolarHBondContact O-N 3.32Å; I105-L108 PolarHBondContact O-N 2.93Å; I105-T109 HydrophobicContact CG2-CG2 3.94Å; I105-T109 VanDerWaalsContact O-CB 3.3Å; I105-T109 WeakPolarHBondContact O-CB 3.32Å; I105-T109 WeakPolarHBondContact O-CG2 3.45Å; I105-T109 PolarHBondContact O-N 2.82Å; I105-T109 PolarHBondContact O-OG1 2.93Å |
| 106 | K | 85.6 | Confident | 79.2 | Confident | 120 Ų | 120 | 64.3 Ų | 64.3 | 52% | 0.522 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 178.8 | -171.9 | 177.4 | 176.1 | -176.5 | 0 | 111.5 | T102 E103 D104 L108 T109 D110 | T102-K106 PolarHBondContact O-N 3.22Å; T102-K106 VanDerWaalsContact O-N 3.12Å; E103-K106 WeakPolarHBondContact O-CB 3.29Å; E103-K106 PolarHBondContact O-N 3.31Å; E103-K106 VanDerWaalsContact O-N 3.1Å; D104-K106 VanDerWaalsContact C-N 3.27Å; D104-K106 PolarHBondContact O-N 3.39Å; K106-L108 VanDerWaalsContact C-N 3.3Å; K106-L108 PolarHBondContact O-N 2.7Å; K106-T109 PolarHBondContact O-N 3.4Å; K106-T109 PolarHBondContact O-OG1 3.15Å; K106-D110 WeakPolarHBondContact CE-OD2 3.45Å; K106-D110 WeakPolarHBondContact CG-OD1 3.46Å; K106-D110 WeakPolarHBondContact CG-OD2 3.43Å; K106-D110 WeakPolarHBondContact O-CB 3.42Å; K106-D110 PolarHBondContact O-N 3.22Å |
| 107 | L | 82.4 | Confident | 77.5 | Confident | 34 Ų | 34 | 67.6 Ų | 67.6 | 18% | 0.178 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.7 | -42 | 177.7 | -173.3 | 66 | 0 | 0 | 0 | 111.7 | E103 D104 K177 L179 I182 | E103-L107 PolarHBondContact O-N 3.04Å; D104-L107 WeakPolarHBondContact O-CB 3.4Å; D104-L107 PolarHBondContact O-N 3.38Å; L107-K177 HydrophobicContact CD1-CG 4.04Å; L107-K177 HydrophobicContact CG-CG 4.27Å; L107-L179 HydrophobicContact CD2-CD2 4.26Å; L107-I182 HydrophobicContact CD2-CG1 4.18Å |
| 108 | L | 83.5 | Confident | 76.8 | Confident | 9 Ų | 9 | 75.6 Ų | 75.6 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -75.4 | -34.3 | 178 | -66.1 | -177.2 | 0 | 0 | 0 | 113.9 | L92 Q95 L96 D104 I105 K106 P111 F112 L179 | L92-L108 HydrophobicContact CD1-CB 4.45Å; Q95-L108 HydrophobicContact CB-CD1 3.74Å; Q95-L108 HydrophobicContact CB-CD2 4.23Å; Q95-L108 VanDerWaalsContact OE1-CD2 3.26Å; L96-L108 HydrophobicContact CD2-CB 4.37Å; L96-L108 HydrophobicContact CD2-CD1 3.99Å; L96-L108 HydrophobicContact CG-CD1 4.18Å; D104-L108 WeakPolarHBondContact O-CG 3.4Å; D104-L108 PolarHBondContact O-N 2.89Å; I105-L108 PolarHBondContact O-N 2.93Å; K106-L108 VanDerWaalsContact C-N 3.3Å; K106-L108 PolarHBondContact O-N 2.7Å; L108-P111 VanDerWaalsContact O-CD 3.26Å; L108-P111 WeakPolarHBondContact O-CD 3.3Å; L108-F112 WeakPolarHBondContact O-CE2 3.21Å; L108-L179 HydrophobicContact CD1-CD1 3.82Å; L108-L179 HydrophobicContact CD2-CD1 4.2Å; L108-L179 HydrophobicContact CD2-CG 4.16Å; L108-L179 HydrophobicContact CG-CD1 4.2Å; L108-L179 HydrophobicContact CG-CG 4.5Å |
| 109 | T | 84 | Confident | 76.6 | Confident | 12 Ų | 12 | 75 Ų | 75 | 7% | 0.074 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -90.2 | -24.7 | -174.6 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | F82 L96 I105 K106 P111 F112 K113 | F82-T109 HydrophobicContact CE2-CG2 3.59Å; F82-T109 HydrophobicContact CZ-CG2 3.89Å; L96-T109 HydrophobicContact CD2-CG2 4.45Å; I105-T109 HydrophobicContact CG2-CG2 3.94Å; I105-T109 VanDerWaalsContact O-CB 3.3Å; I105-T109 WeakPolarHBondContact O-CB 3.32Å; I105-T109 WeakPolarHBondContact O-CG2 3.45Å; I105-T109 PolarHBondContact O-N 2.82Å; I105-T109 PolarHBondContact O-OG1 2.93Å; K106-T109 PolarHBondContact O-N 3.4Å; K106-T109 PolarHBondContact O-OG1 3.15Å; T109-P111 VanDerWaalsContact C-N 3.35Å; T109-F112 PolarHBondContact O-N 3.01Å; T109-F112 VanDerWaalsContact O-N 3.1Å; T109-K113 PolarHBondContact OG1-NZ 2.94Å |
| 110 | D | 75.8 | Confident | 76.6 | Confident | 69 Ų | 69 | 76.5 Ų | 76.5 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -54.8 | -36.2 | 179.4 | -82.6 | -2.2 | 0 | 0 | 0 | 114.9 | K106 F112 K113 | K106-D110 WeakPolarHBondContact CE-OD2 3.45Å; K106-D110 WeakPolarHBondContact CG-OD1 3.46Å; K106-D110 WeakPolarHBondContact CG-OD2 3.43Å; K106-D110 WeakPolarHBondContact O-CB 3.42Å; K106-D110 PolarHBondContact O-N 3.22Å; D110-F112 PolarHBondContact O-N 3.19Å; D110-K113 PolarHBondContact O-N 3.05Å; D110-K113 IonicContact OD1-NZ 3.8Å; D110-K113 PolarHBondContact OD1-NZ 3.09Å |
| 111 | P | 71.6 | Confident | 76.6 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -56.7 | -30.1 | 174.8 | -20.6 | 28.6 | 0 | 0 | 0 | 114.6 | L108 T109 K177 | L108-P111 VanDerWaalsContact O-CD 3.26Å; L108-P111 WeakPolarHBondContact O-CD 3.3Å; T109-P111 VanDerWaalsContact C-N 3.35Å; P111-K177 HydrophobicContact CG-CD 3.74Å |
| 112 | F | 74.2 | Confident | 76.5 | Confident | 81 Ų | 81 | 69 Ų | 69 | 36% | 0.355 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -99.8 | -1.3 | -170.5 | -55.5 | -81.2 | 0 | 0 | 0 | 113.3 | F82 L87 L92 L108 T109 D110 | F82-F112 HydrophobicContact CD1-CB 4.49Å; F82-F112 HydrophobicContact CD1-CG 4.35Å; F82-F112 HydrophobicContact CE1-CB 3.39Å; F82-F112 HydrophobicContact CE1-CD1 4.17Å; F82-F112 AromaticContact CE1-CD2 3.59Å; F82-F112 HydrophobicContact CE1-CD2 3.59Å; F82-F112 HydrophobicContact CE1-CE2 4.39Å; F82-F112 AromaticContact CE1-CG 3.46Å; F82-F112 HydrophobicContact CE1-CG 3.46Å; F82-F112 VanDerWaalsContact CE1-CG 3.46Å; F82-F112 HydrophobicContact CZ-CB 3.9Å; F82-F112 AromaticContact CZ-CD2 3.61Å; F82-F112 HydrophobicContact CZ-CD2 3.61Å; F82-F112 HydrophobicContact CZ-CE2 4.39Å; F82-F112 AromaticContact CZ-CG 3.94Å; F82-F112 HydrophobicContact CZ-CG 3.94Å; L87-F112 HydrophobicContact CD1-CD1 4.11Å; L92-F112 HydrophobicContact CD1-CE2 4.22Å; L92-F112 HydrophobicContact CD2-CE2 3.88Å; L92-F112 HydrophobicContact CD2-CZ 3.91Å; L108-F112 WeakPolarHBondContact O-CE2 3.21Å; T109-F112 PolarHBondContact O-N 3.01Å; T109-F112 VanDerWaalsContact O-N 3.1Å; D110-F112 PolarHBondContact O-N 3.19Å |
| 113 | K | 68.7 | Low | 76.5 | Confident | 104 Ų | 104 | 71.4 Ų | 71.4 | 45% | 0.452 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -77 | 134 | 177.9 | -70.4 | 174 | -170.6 | 156.7 | 0 | 109.5 | T109 D110 K115 | T109-K113 PolarHBondContact OG1-NZ 2.94Å; D110-K113 PolarHBondContact O-N 3.05Å; D110-K113 IonicContact OD1-NZ 3.8Å; D110-K113 PolarHBondContact OD1-NZ 3.09Å; K113-K115 PolarHBondContact O-N 3.24Å |
| 114 | S | 55.3 | Low | 76.8 | Confident | 130 Ų | 130 | 67.4 Ų | 67.4 | 91% | 0.909 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -64.9 | 14.3 | -175.2 | 57 | 0 | 0 | 0 | 0 | 116.5 | G116 | S114-G116 PolarHBondContact O-N 2.89Š|
| 115 | K | 49.8 | Very low | 76.8 | Confident | 170 Ų | 170 | 69 Ų | 69 | 74% | 0.739 | 36% | 0.356 | S | S | * | . | trans | -79.6 | 107.4 | 172.8 | -72.5 | -175.1 | 178.5 | 179 | 0 | 108 | K113 | K113-K115 PolarHBondContact O-N 3.24Š| ||
| 116 | G | 52.1 | Low | 76.6 | Confident | 50 Ų | 50 | 71.9 Ų | 71.9 | 52% | 0.515 | 38% | 0.382 | S | S | . | . | trans | -50.6 | 179.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | S114 R118 | S114-G116 PolarHBondContact O-N 2.89Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.5Å | ||
| 117 | P | 53.9 | Low | 76.9 | Confident | 68 Ų | 68 | 67 Ų | 67 | 44% | 0.442 | 36% | 0.362 | S | S | . | . | trans | -81 | 72.7 | -151.4 | 36.6 | -38.7 | 0 | 0 | 0 | 111.9 | T119 G122 R123 | P117-T119 VanDerWaalsContact C-N 3.32Å; P117-G122 VanDerWaalsContact CB-C 3.47Å; P117-R123 HydrophobicContact CB-CB 4.25Å; P117-R123 HydrophobicContact CB-CG 3.58Å; P117-R123 HydrophobicContact CG-CG 3.95Å; P117-R123 WeakPolarHBondContact O-CG 3.23Å | ||
| 118 | R | 74.5 | Confident | 77.3 | Confident | 214 Ų | 214 | 70.2 Ų | 70.2 | 81% | 0.808 | 38% | 0.379 | S | S | * | . | trans | -73.8 | -26.5 | 174.4 | -83.3 | -170.2 | -95.7 | -175.8 | -13.1 | 112.5 | G116 | G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 3.5Å | ||
| 119 | T | 82.5 | Confident | 77.7 | Confident | 83 Ų | 83 | 69.8 Ų | 69.8 | 51% | 0.509 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -89.5 | 149.7 | 177.1 | 64.6 | 0 | 0 | 0 | 0 | 110.5 | P117 A121 G122 R123 | P117-T119 VanDerWaalsContact C-N 3.32Å; T119-A121 VanDerWaalsContact C-N 3.27Å; T119-A121 PolarHBondContact O-N 3.22Å; T119-G122 PolarHBondContact O-N 2.91Å; T119-G122 VanDerWaalsContact O-N 3.13Å; T119-G122 PolarHBondContact OG1-N 2.87Å; T119-R123 PolarHBondContact O-N 2.98Å |
| 120 | L | 88.4 | Confident | 78.1 | Confident | 34 Ų | 34 | 72.2 Ų | 72.2 | 18% | 0.178 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 175.7 | -166.6 | 73.3 | 0 | 0 | 0 | 111.2 | G122 R123 A124 F157 D165 H169 | L120-G122 VanDerWaalsContact C-N 3.35Å; L120-G122 PolarHBondContact O-N 3.02Å; L120-R123 PolarHBondContact O-N 2.89Å; L120-R123 VanDerWaalsContact O-N 3.17Å; L120-A124 WeakPolarHBondContact O-CB 3.37Å; L120-A124 PolarHBondContact O-N 2.69Å; L120-F157 HydrophobicContact CD1-CE1 3.97Å; L120-F157 HydrophobicContact CD1-CZ 4.5Å; L120-D165 WeakPolarHBondContact CD2-OD2 3.44Å; L120-H169 HydrophobicContact CB-CB 4.41Å; L120-H169 HydrophobicContact CD2-CB 4.17Å; L120-H169 VanDerWaalsContact CD2-CE1 3.49Å; L120-H169 WeakPolarHBondContact CD2-CE1 3.2Å; L120-H169 WeakPolarHBondContact CD2-ND1 3.34Å |
| 121 | A | 87.3 | Confident | 78.9 | Confident | 5 Ų | 5 | 71.8 Ų | 71.8 | 4% | 0.041 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.1 | -45.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T119 R123 A124 K125 H169 D173 | T119-A121 VanDerWaalsContact C-N 3.27Å; T119-A121 PolarHBondContact O-N 3.22Å; A121-R123 VanDerWaalsContact C-N 3.34Å; A121-R123 PolarHBondContact O-N 2.66Å; A121-A124 PolarHBondContact O-N 3.02Å; A121-K125 VanDerWaalsContact O-CG 3.32Å; A121-K125 WeakPolarHBondContact O-CG 3.22Å; A121-K125 PolarHBondContact O-N 3.21Å; A121-H169 HydrophobicContact CB-CB 4.32Å; A121-H169 WeakPolarHBondContact CB-O 3.03Å; A121-D173 HydrophobicContact CB-CB 3.95Å |
| 122 | G | 85.6 | Confident | 80 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 23% | 0.227 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P117 T119 L120 A126 | P117-G122 VanDerWaalsContact CB-C 3.47Å; T119-G122 PolarHBondContact O-N 2.91Å; T119-G122 VanDerWaalsContact O-N 3.13Å; T119-G122 PolarHBondContact OG1-N 2.87Å; L120-G122 VanDerWaalsContact C-N 3.35Å; L120-G122 PolarHBondContact O-N 3.02Å; G122-A126 WeakPolarHBondContact O-CB 3.39Å; G122-A126 PolarHBondContact O-N 3.32Å |
| 123 | R | 88 | Confident | 81 | Confident | 122 Ų | 122 | 65.7 Ų | 65.7 | 46% | 0.46 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.8 | -42.2 | 174.7 | -70.6 | -169.6 | -67.4 | 172 | 0.1 | 111.4 | P117 T119 L120 A121 A126 V127 F157 | P117-R123 HydrophobicContact CB-CB 4.25Å; P117-R123 HydrophobicContact CB-CG 3.58Å; P117-R123 HydrophobicContact CG-CG 3.95Å; P117-R123 WeakPolarHBondContact O-CG 3.23Å; T119-R123 PolarHBondContact O-N 2.98Å; L120-R123 PolarHBondContact O-N 2.89Å; L120-R123 VanDerWaalsContact O-N 3.17Å; A121-R123 VanDerWaalsContact C-N 3.34Å; A121-R123 PolarHBondContact O-N 2.66Å; R123-A126 PolarHBondContact O-N 2.81Å; R123-V127 PolarHBondContact O-N 3.38Å; R123-F157 HydrophobicContact CB-CZ 4.47Å |
| 124 | A | 91 | Very high | 82.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | L120 A121 V127 N128 L129 F157 A166 I170 | L120-A124 WeakPolarHBondContact O-CB 3.37Å; L120-A124 PolarHBondContact O-N 2.69Å; A121-A124 PolarHBondContact O-N 3.02Å; A124-V127 VanDerWaalsContact O-CG2 3.26Å; A124-V127 WeakPolarHBondContact O-CG2 3.15Å; A124-V127 PolarHBondContact O-N 3.37Å; A124-N128 PolarHBondContact O-N 2.66Å; A124-L129 HydrophobicContact CB-CB 4.48Å; A124-L129 HydrophobicContact CB-CD1 4.15Å; A124-L129 WeakPolarHBondContact O-CB 3.34Å; A124-L129 PolarHBondContact O-N 3.25Å; A124-L129 VanDerWaalsContact O-N 3.09Å; A124-F157 HydrophobicContact CB-CE2 4.33Å; A124-F157 HydrophobicContact CB-CZ 4.3Å; A124-A166 HydrophobicContact CB-CB 3.87Å; A124-I170 HydrophobicContact CB-CD1 3.55Å; A124-I170 HydrophobicContact CB-CG1 3.79Å |
| 125 | K | 88.3 | Confident | 84 | Confident | 56 Ų | 56 | 61.5 Ų | 61.5 | 24% | 0.243 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 173 | -67.3 | -173 | -175.9 | -150.1 | 0 | 112.1 | A121 V127 N128 E130 I170 D173 | A121-K125 VanDerWaalsContact O-CG 3.32Å; A121-K125 WeakPolarHBondContact O-CG 3.22Å; A121-K125 PolarHBondContact O-N 3.21Å; K125-V127 PolarHBondContact O-N 2.73Å; K125-N128 WeakPolarHBondContact O-CA 3.43Å; K125-N128 PolarHBondContact O-N 3.47Å; K125-E130 VanDerWaalsContact CE-OE1 3.29Å; K125-E130 WeakPolarHBondContact CE-OE1 3.32Å; K125-E130 HydrophobicContact CG-CB 4.2Å; K125-E130 IonicContact NZ-OE1 2.73Å; K125-E130 PolarHBondContact NZ-OE1 3.47Å; K125-I170 HydrophobicContact CG-CD1 4.14Å; K125-I170 HydrophobicContact CG-CG1 4.1Å; K125-D173 IonicContact NZ-OD2 3.52Å |
| 126 | A | 86.9 | Confident | 86.1 | Confident | 71 Ų | 71 | 53.5 Ų | 53.5 | 59% | 0.587 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.6 | -28.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G122 R123 N128 | G122-A126 WeakPolarHBondContact O-CB 3.39Å; G122-A126 PolarHBondContact O-N 3.32Å; R123-A126 PolarHBondContact O-N 2.81Å; A126-N128 VanDerWaalsContact C-N 3.31Å |
| 127 | V | 90.7 | Very high | 88.1 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 19.4 | 172.8 | -57.8 | 0 | 0 | 0 | 0 | 112.9 | R123 A124 K125 L129 P150 A153 T156 F157 | R123-V127 PolarHBondContact O-N 3.38Å; A124-V127 VanDerWaalsContact O-CG2 3.26Å; A124-V127 WeakPolarHBondContact O-CG2 3.15Å; A124-V127 PolarHBondContact O-N 3.37Å; K125-V127 PolarHBondContact O-N 2.73Å; V127-L129 HydrophobicContact CG2-CD1 4.02Å; V127-L129 HydrophobicContact CG2-CG 4.08Å; V127-L129 PolarHBondContact O-N 2.82Å; V127-P150 WeakPolarHBondContact O-CG 3.49Å; V127-A153 HydrophobicContact CB-CB 4.13Å; V127-A153 HydrophobicContact CG2-CB 3.79Å; V127-T156 HydrophobicContact CG1-CG2 4.26Å; V127-F157 HydrophobicContact CG2-CD2 4.21Å; V127-F157 HydrophobicContact CG2-CE2 3.69Å |
| 128 | N | 90.7 | Very high | 89.9 | Confident | 101 Ų | 101 | 52.9 Ų | 52.9 | 54% | 0.54 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 37.8 | 173 | -156.6 | 20.7 | 0 | 0 | 0 | 115.4 | A124 K125 A126 P150 | A124-N128 PolarHBondContact O-N 2.66Å; K125-N128 WeakPolarHBondContact O-CA 3.43Å; K125-N128 PolarHBondContact O-N 3.47Å; A126-N128 VanDerWaalsContact C-N 3.31Å; N128-P150 HydrophobicContact CB-CG 4.32Å |
| 129 | L | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -84.6 | -6.7 | 171.8 | -71.7 | 172.5 | 0 | 0 | 0 | 113.9 | A124 V127 I132 A133 A149 A153 F157 L163 A166 V167 I170 | A124-L129 HydrophobicContact CB-CB 4.48Å; A124-L129 HydrophobicContact CB-CD1 4.15Å; A124-L129 WeakPolarHBondContact O-CB 3.34Å; A124-L129 PolarHBondContact O-N 3.25Å; A124-L129 VanDerWaalsContact O-N 3.09Å; V127-L129 HydrophobicContact CG2-CD1 4.02Å; V127-L129 HydrophobicContact CG2-CG 4.08Å; V127-L129 PolarHBondContact O-N 2.82Å; L129-I132 HydrophobicContact CD2-CD1 3.85Å; L129-I132 PolarHBondContact O-N 2.88Å; L129-A133 PolarHBondContact O-N 3.42Å; L129-A149 HydrophobicContact CD2-CB 4.07Å; L129-A153 HydrophobicContact CD1-CB 4.08Å; L129-A153 HydrophobicContact CD2-CB 3.64Å; L129-A153 HydrophobicContact CG-CB 3.74Å; L129-F157 HydrophobicContact CD1-CD2 3.81Å; L129-F157 HydrophobicContact CD1-CE2 3.84Å; L129-L163 HydrophobicContact CD1-CG 4.39Å; L129-L163 HydrophobicContact CD2-CD1 4.32Å; L129-L163 HydrophobicContact CD2-CD2 4.26Å; L129-L163 HydrophobicContact CD2-CG 4.26Å; L129-A166 HydrophobicContact CD1-CB 3.96Å; L129-V167 HydrophobicContact CB-CG2 4.42Å; L129-V167 HydrophobicContact CD2-CG2 4.42Å; L129-I170 HydrophobicContact CB-CD1 3.78Å | ||
| 130 | E | 91.5 | Very high | 90.7 | Very high | 64 Ų | 64 | 45.1 Ų | 45.1 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.3 | -41.5 | -178 | -170.3 | 163 | -149 | 0 | 0 | 114.5 | K125 I132 A133 L134 I170 | K125-E130 VanDerWaalsContact CE-OE1 3.29Å; K125-E130 WeakPolarHBondContact CE-OE1 3.32Å; K125-E130 HydrophobicContact CG-CB 4.2Å; K125-E130 IonicContact NZ-OE1 2.73Å; K125-E130 PolarHBondContact NZ-OE1 3.47Å; E130-I132 PolarHBondContact O-N 3.03Å; E130-A133 WeakPolarHBondContact O-CB 3.48Å; E130-A133 PolarHBondContact O-N 3.07Å; E130-A133 VanDerWaalsContact O-N 3.1Å; E130-L134 HydrophobicContact CG-CD1 4.27Å; E130-L134 HydrophobicContact CG-CG 4.48Å; E130-L134 PolarHBondContact O-N 3.43Å; E130-I170 HydrophobicContact CG-CG2 4.34Å |
| 131 | P | 93.3 | Very high | 90.8 | Very high | 59 Ų | 59 | 52.7 Ų | 52.7 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57 | -37 | 176 | -26.5 | 36.3 | 0 | 0 | 0 | 113 | L134 D135 | P131-L134 PolarHBondContact O-N 3.31Å; P131-D135 WeakPolarHBondContact O-CB 3.45Å; P131-D135 PolarHBondContact O-N 3.21Å |
| 132 | I | 94.5 | Very high | 90.8 | Very high | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 178 | -59.3 | 178.4 | 0 | 0 | 0 | 110.6 | L129 E130 L134 D135 I136 V143 M145 L148 A149 V167 | L129-I132 HydrophobicContact CD2-CD1 3.85Å; L129-I132 PolarHBondContact O-N 2.88Å; E130-I132 PolarHBondContact O-N 3.03Å; I132-L134 VanDerWaalsContact C-N 3.35Å; I132-D135 PolarHBondContact O-N 2.83Å; I132-I136 HydrophobicContact CG2-CD1 4.21Å; I132-I136 VanDerWaalsContact O-CG1 3.29Å; I132-I136 WeakPolarHBondContact O-CG1 3.5Å; I132-I136 PolarHBondContact O-N 3.28Å; I132-V143 HydrophobicContact CG2-CG1 3.87Å; I132-M145 HydrophobicContact CG2-CB 4.35Å; I132-M145 HydrophobicContact CG2-CG 4.25Å; I132-L148 HydrophobicContact CD1-CB 4.02Å; I132-L148 HydrophobicContact CG1-CB 4.3Å; I132-A149 HydrophobicContact CD1-CB 4.31Å; I132-V167 HydrophobicContact CG2-CG2 4.41Å |
| 133 | A | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L129 E130 I136 L137 V167 I170 I171 | L129-A133 PolarHBondContact O-N 3.42Å; E130-A133 WeakPolarHBondContact O-CB 3.48Å; E130-A133 PolarHBondContact O-N 3.07Å; E130-A133 VanDerWaalsContact O-N 3.1Å; A133-I136 PolarHBondContact O-N 3.12Å; A133-L137 WeakPolarHBondContact O-CG 3.42Å; A133-L137 PolarHBondContact O-N 3.46Å; A133-V167 HydrophobicContact CB-CG1 4.14Å; A133-I170 HydrophobicContact CB-CB 3.99Å; A133-I170 HydrophobicContact CB-CG2 3.51Å; A133-I171 HydrophobicContact CB-CG1 3.88Å |
| 134 | L | 93.2 | Very high | 91.1 | Very high | 67 Ų | 67 | 53.9 Ų | 53.9 | 35% | 0.351 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 176.8 | -69.1 | 172.7 | 0 | 0 | 0 | 112.1 | E130 P131 I132 I136 L137 H138 I174 | E130-L134 HydrophobicContact CG-CD1 4.27Å; E130-L134 HydrophobicContact CG-CG 4.48Å; E130-L134 PolarHBondContact O-N 3.43Å; P131-L134 PolarHBondContact O-N 3.31Å; I132-L134 VanDerWaalsContact C-N 3.35Å; L134-I136 VanDerWaalsContact C-N 3.27Å; L134-I136 PolarHBondContact O-N 2.84Å; L134-L137 PolarHBondContact O-N 3.01Å; L134-H138 WeakPolarHBondContact O-CB 3.2Å; L134-H138 PolarHBondContact O-N 3.24Å; L134-I174 HydrophobicContact CD2-CD1 4.11Å |
| 135 | D | 92.9 | Very high | 91.1 | Very high | 79 Ų | 79 | 54.6 Ų | 54.6 | 42% | 0.422 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 175.2 | -84.4 | -5.6 | 0 | 0 | 0 | 111.4 | P131 I132 S139 V143 | P131-D135 WeakPolarHBondContact O-CB 3.45Å; P131-D135 PolarHBondContact O-N 3.21Å; I132-D135 PolarHBondContact O-N 2.83Å; D135-S139 WeakPolarHBondContact O-CA 3.5Å; D135-S139 WeakPolarHBondContact O-CB 3.25Å; D135-S139 PolarHBondContact O-N 3.33Å; D135-S139 PolarHBondContact O-OG 2.84Å; D135-V143 HydrophobicContact CB-CG2 4.02Å |
| 136 | I | 94.7 | Very high | 91 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 174.1 | -71.4 | 165 | 0 | 0 | 0 | 111.1 | I132 A133 L134 V143 M145 V167 I171 T314 H318 F321 V322 | I132-I136 HydrophobicContact CG2-CD1 4.21Å; I132-I136 VanDerWaalsContact O-CG1 3.29Å; I132-I136 WeakPolarHBondContact O-CG1 3.5Å; I132-I136 PolarHBondContact O-N 3.28Å; A133-I136 PolarHBondContact O-N 3.12Å; L134-I136 VanDerWaalsContact C-N 3.27Å; L134-I136 PolarHBondContact O-N 2.84Å; I136-V143 HydrophobicContact CG1-CB 4.06Å; I136-V143 HydrophobicContact CG1-CG1 4.09Å; I136-V143 HydrophobicContact CG1-CG2 4.21Å; I136-M145 HydrophobicContact CD1-CE 3.87Å; I136-M145 HydrophobicContact CD1-CG 4.13Å; I136-M145 HydrophobicContact CD1-SD 4.17Å; I136-V167 HydrophobicContact CD1-CG1 3.81Å; I136-I171 HydrophobicContact CB-CD1 4.43Å; I136-I171 HydrophobicContact CG2-CD1 4Å; I136-T314 WeakPolarHBondContact O-CG2 3.45Å; I136-H318 HydrophobicContact CG2-CB 4.01Å; I136-F321 HydrophobicContact CD1-CE1 4.24Å; I136-V322 HydrophobicContact CG2-CG2 3.57Å |
| 137 | L | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -76.9 | -35.7 | -175.5 | -71.2 | 172.6 | 0 | 0 | 0 | 113.8 | A133 L134 I171 I174 F175 Y310 T313 T314 V322 | A133-L137 WeakPolarHBondContact O-CG 3.42Å; A133-L137 PolarHBondContact O-N 3.46Å; L134-L137 PolarHBondContact O-N 3.01Å; L137-I171 HydrophobicContact CD1-CG1 4.29Å; L137-I171 HydrophobicContact CD1-CG2 4.27Å; L137-I171 HydrophobicContact CD2-CG2 4.02Å; L137-I171 HydrophobicContact CG-CG1 4.4Å; L137-I171 HydrophobicContact CG-CG2 4.46Å; L137-I174 HydrophobicContact CD1-CD1 3.84Å; L137-I174 HydrophobicContact CD1-CG2 4.15Å; L137-F175 HydrophobicContact CD2-CE1 3.97Å; L137-F175 HydrophobicContact CD2-CZ 3.77Å; L137-Y310 HydrophobicContact CB-CD1 4.24Å; L137-Y310 HydrophobicContact CD2-CD1 4.03Å; L137-Y310 HydrophobicContact CD2-CE1 4.48Å; L137-T313 WeakPolarHBondContact O-CB 3.41Å; L137-T313 PolarHBondContact O-OG1 3.36Å; L137-T314 PolarHBondContact O-OG1 2.9Å; L137-V322 HydrophobicContact CD2-CG1 3.89Å; L137-V322 HydrophobicContact CD2-CG2 4.21Å |
| 138 | H | 91.9 | Very high | 91.1 | Very high | 105 Ų | 105 | 60.3 Ų | 60.3 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -115.9 | -1.3 | -167 | -57.5 | 139.8 | 0 | 0 | 0 | 114.1 | L134 Y310 T313 | L134-H138 WeakPolarHBondContact O-CB 3.2Å; L134-H138 PolarHBondContact O-N 3.24Å; H138-Y310 AromaticContact NE2-CE1 3.68Å; H138-T313 CarbonylContact C-O 3.54Å |
| 139 | S | 88.2 | Confident | 91.1 | Very high | 21 Ų | 21 | 55.7 Ų | 55.7 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | trans | -121.7 | 134.8 | 176.3 | 92.7 | 0 | 0 | 0 | 0 | 112.1 | D135 R141 T313 | D135-S139 WeakPolarHBondContact O-CA 3.5Å; D135-S139 WeakPolarHBondContact O-CB 3.25Å; D135-S139 PolarHBondContact O-N 3.33Å; D135-S139 PolarHBondContact O-OG 2.84Å; S139-R141 PolarHBondContact O-N 3.16Å; S139-R141 PolarHBondContact OG-N 2.75Å; S139-T313 CarbonylContact C-O 2.89Å; S139-T313 WeakPolarHBondContact CA-O 3.06Å; S139-T313 PolarHBondContact N-O 2.91Å; S139-T313 VanDerWaalsContact O-O 3.08Å | ||
| 140 | N | 87.3 | Confident | 91.1 | Very high | 113 Ų | 113 | 57.3 Ų | 57.3 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | trans | -76.9 | 20.1 | 173.9 | -166.9 | 20.6 | 0 | 0 | 0 | 112.1 | T313 N315 | N140-T313 PolarHBondContact N-O 3.24Å; N140-T313 VanDerWaalsContact N-O 3.13Å; N140-N315 PolarHBondContact O-ND2 2.9Å; N140-N315 WeakPolarHBondContact OD1-CA 3.43Å | ||
| 141 | R | 88.6 | Confident | 91 | Very high | 194 Ų | 194 | 59.5 Ų | 59.5 | 73% | 0.732 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -89.7 | 148.3 | -178.9 | -63.2 | -179.2 | 178.2 | 179.5 | 0.1 | 110.6 | S139 V143 N315 | S139-R141 PolarHBondContact O-N 3.16Å; S139-R141 PolarHBondContact OG-N 2.75Å; R141-V143 PolarHBondContact O-N 3.04Å; R141-V143 VanDerWaalsContact O-N 3.16Å; R141-N315 WeakPolarHBondContact O-CB 3.33Å |
| 142 | C | 89 | Confident | 90.8 | Very high | 85 Ų | 85 | 63.1 Ų | 63.1 | 57% | 0.574 | 33% | 0.328 | S | S | * | . | trans | -78.2 | 99.1 | 170.2 | -170.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 143 | V | 88.8 | Confident | 90.5 | Very high | 8 Ų | 8 | 62.6 Ų | 62.6 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | trans | -81.6 | 121.3 | 176.2 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | I132 D135 I136 R141 L148 H318 | I132-V143 HydrophobicContact CG2-CG1 3.87Å; D135-V143 HydrophobicContact CB-CG2 4.02Å; I136-V143 HydrophobicContact CG1-CB 4.06Å; I136-V143 HydrophobicContact CG1-CG1 4.09Å; I136-V143 HydrophobicContact CG1-CG2 4.21Å; R141-V143 PolarHBondContact O-N 3.04Å; R141-V143 VanDerWaalsContact O-N 3.16Å; V143-L148 HydrophobicContact CB-CD1 4.4Å; V143-L148 HydrophobicContact CG1-CD1 3.53Å; V143-H318 PolarHBondContact N-NE2 3.29Å; V143-H318 PolarHBondContact O-CE1 2.81Å; V143-H318 PolarHBondContact O-NE2 2.87Å | ||
| 144 | D | 90.3 | Very high | 90.3 | Very high | 80 Ų | 80 | 65.9 Ų | 65.9 | 43% | 0.428 | 34% | 0.34 | S | S | . | . | trans | -94.2 | 104 | 164.3 | 174.2 | -2.2 | 0 | 0 | 0 | 109.7 | Y146 S147 L148 | D144-Y146 VanDerWaalsContact C-N 3.29Å; D144-Y146 PolarHBondContact O-N 3.21Å; D144-Y146 PolarHBondContact OD1-N 2.72Å; D144-S147 VanDerWaalsContact CB-OG 3.31Å; D144-S147 WeakPolarHBondContact CB-OG 3.49Å; D144-S147 PolarHBondContact O-N 3.11Å; D144-S147 PolarHBondContact O-OG 2.83Å; D144-S147 PolarHBondContact OD1-N 2.94Å; D144-L148 WeakPolarHBondContact O-CG 3.12Å; D144-L148 PolarHBondContact O-N 3.41Å; D144-L148 VanDerWaalsContact O-N 3.08Å | ||
| 145 | M | 90.3 | Very high | 90.1 | Very high | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.9 | -38.7 | -174.1 | -52.6 | -179.4 | -153.4 | 0 | 0 | 113 | I132 I136 A149 L163 E164 V167 F321 | I132-M145 HydrophobicContact CG2-CB 4.35Å; I132-M145 HydrophobicContact CG2-CG 4.25Å; I136-M145 HydrophobicContact CD1-CE 3.87Å; I136-M145 HydrophobicContact CD1-CG 4.13Å; I136-M145 HydrophobicContact CD1-SD 4.17Å; M145-A149 VanDerWaalsContact O-CB 3.3Å; M145-A149 WeakPolarHBondContact O-CB 3.16Å; M145-A149 PolarHBondContact O-N 3.01Å; M145-A149 VanDerWaalsContact O-N 3.12Å; M145-L163 HydrophobicContact CB-CD2 3.92Å; M145-L163 WeakPolarHBondContact O-CD2 3.2Å; M145-E164 HydrophobicContact SD-CB 4.42Å; M145-E164 HydrophobicContact SD-CG 3.79Å; M145-V167 HydrophobicContact SD-CB 4.35Å; M145-V167 HydrophobicContact SD-CG1 4.26Å; M145-F321 HydrophobicContact CE-CD1 3.76Å; M145-F321 HydrophobicContact CE-CD2 4.08Å; M145-F321 HydrophobicContact CE-CE1 3.66Å; M145-F321 HydrophobicContact CE-CE2 3.99Å; M145-F321 HydrophobicContact CE-CG 3.96Å; M145-F321 HydrophobicContact CE-CZ 3.77Å; M145-F321 HydrophobicContact SD-CE1 4.21Å; M145-F321 HydrophobicContact SD-CE2 4.36Å; M145-F321 HydrophobicContact SD-CZ 3.93Å |
| 146 | Y | 86.9 | Confident | 89.9 | Confident | 99 Ų | 99 | 70.9 Ų | 70.9 | 39% | 0.388 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -76 | -39.3 | -177.9 | -171 | -94.6 | 0 | 0 | 0 | 111 | D144 L148 K154 K160 | D144-Y146 VanDerWaalsContact C-N 3.29Å; D144-Y146 PolarHBondContact O-N 3.21Å; D144-Y146 PolarHBondContact OD1-N 2.72Å; Y146-L148 VanDerWaalsContact C-N 3.35Å; Y146-L148 PolarHBondContact O-N 3.06Å; Y146-K154 WeakPolarHBondContact O-CE 3.18Å; Y146-K154 PolarHBondContact O-NZ 3.29Å; Y146-K160 HydrophobicContact CD2-CB 4.35Å |
| 147 | S | 88.7 | Confident | 89.7 | Confident | 69 Ų | 69 | 71.5 Ų | 71.5 | 48% | 0.483 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 177.7 | 74.7 | 0 | 0 | 0 | 0 | 111.8 | D144 | D144-S147 VanDerWaalsContact CB-OG 3.31Å; D144-S147 WeakPolarHBondContact CB-OG 3.49Å; D144-S147 PolarHBondContact O-N 3.11Å; D144-S147 PolarHBondContact O-OG 2.83Å; D144-S147 PolarHBondContact OD1-N 2.94Å |
| 148 | L | 90.8 | Very high | 89.3 | Confident | 96 Ų | 96 | 77.1 Ų | 77.1 | 50% | 0.503 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -83.3 | -13.7 | -175.5 | -67.5 | 166.7 | 0 | 0 | 0 | 113.8 | I132 V143 D144 Y146 | I132-L148 HydrophobicContact CD1-CB 4.02Å; I132-L148 HydrophobicContact CG1-CB 4.3Å; V143-L148 HydrophobicContact CB-CD1 4.4Å; V143-L148 HydrophobicContact CG1-CD1 3.53Å; D144-L148 WeakPolarHBondContact O-CG 3.12Å; D144-L148 PolarHBondContact O-N 3.41Å; D144-L148 VanDerWaalsContact O-N 3.08Å; Y146-L148 VanDerWaalsContact C-N 3.35Å; Y146-L148 PolarHBondContact O-N 3.06Å |
| 149 | A | 91.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 74.3 Ų | 74.3 | 3% | 0.033 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -64.2 | 133 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L129 I132 M145 A153 K154 L163 | L129-A149 HydrophobicContact CD2-CB 4.07Å; I132-A149 HydrophobicContact CD1-CB 4.31Å; M145-A149 VanDerWaalsContact O-CB 3.3Å; M145-A149 WeakPolarHBondContact O-CB 3.16Å; M145-A149 PolarHBondContact O-N 3.01Å; M145-A149 VanDerWaalsContact O-N 3.12Å; A149-A153 HydrophobicContact CB-CB 4.4Å; A149-K154 HydrophobicContact CB-CG 4.08Å; A149-K154 WeakPolarHBondContact O-CE 3.11Å; A149-K154 PolarHBondContact O-NZ 2.96Å; A149-L163 HydrophobicContact CB-CD1 3.48Å; A149-L163 VanDerWaalsContact CB-CD1 3.48Å; A149-L163 HydrophobicContact CB-CD2 4.04Å; A149-L163 HydrophobicContact CB-CG 4.36Å |
| 150 | P | 92.1 | Very high | 89.3 | Confident | 34 Ų | 34 | 78.8 Ų | 78.8 | 22% | 0.221 | 41% | 0.408 | C | S | . | . | trans | -65.9 | 157.3 | 177.1 | 25.8 | -32.1 | 0 | 0 | 0 | 111.5 | V127 N128 E152 A153 K154 | V127-P150 WeakPolarHBondContact O-CG 3.49Å; N128-P150 HydrophobicContact CB-CG 4.32Å; P150-E152 PolarHBondContact O-N 2.71Å; P150-A153 HydrophobicContact CG-CB 3.77Å; P150-A153 WeakPolarHBondContact O-CB 3.37Å; P150-A153 PolarHBondContact O-N 3.13Å; P150-K154 PolarHBondContact O-N 3.09Å; P150-K154 VanDerWaalsContact O-N 3.08Å | ||
| 151 | P | 90.4 | Very high | 89.6 | Confident | 110 Ų | 110 | 78 Ų | 78 | 71% | 0.714 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -54.9 | -38.5 | -177.9 | -26.1 | 34.2 | 0 | 0 | 0 | 113.5 | A153 K154 K155 | P151-A153 VanDerWaalsContact C-N 3.35Å; P151-A153 PolarHBondContact O-N 3.26Å; P151-K154 PolarHBondContact O-N 2.69Å; P151-K155 PolarHBondContact O-N 3.09Å |
| 152 | E | 89.1 | Confident | 89.8 | Confident | 134 Ų | 134 | 70.2 Ų | 70.2 | 63% | 0.626 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.9 | -37.3 | 177.3 | -66 | -170.9 | 159.4 | 0 | 0 | 112.7 | P150 K155 T156 | P150-E152 PolarHBondContact O-N 2.71Å; E152-K155 PolarHBondContact O-N 2.79Å; E152-T156 WeakPolarHBondContact O-CB 3.39Å; E152-T156 PolarHBondContact O-N 3.45Å; E152-T156 PolarHBondContact O-OG1 3.24Å |
| 153 | A | 89 | Confident | 90 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.1 | -41.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V127 L129 A149 P150 P151 K155 T156 F157 L163 | V127-A153 HydrophobicContact CB-CB 4.13Å; V127-A153 HydrophobicContact CG2-CB 3.79Å; L129-A153 HydrophobicContact CD1-CB 4.08Å; L129-A153 HydrophobicContact CD2-CB 3.64Å; L129-A153 HydrophobicContact CG-CB 3.74Å; A149-A153 HydrophobicContact CB-CB 4.4Å; P150-A153 HydrophobicContact CG-CB 3.77Å; P150-A153 WeakPolarHBondContact O-CB 3.37Å; P150-A153 PolarHBondContact O-N 3.13Å; P151-A153 VanDerWaalsContact C-N 3.35Å; P151-A153 PolarHBondContact O-N 3.26Å; A153-K155 VanDerWaalsContact C-N 3.28Å; A153-K155 PolarHBondContact O-N 3.28Å; A153-T156 PolarHBondContact O-N 3.36Å; A153-F157 PolarHBondContact O-N 3.18Å; A153-L163 HydrophobicContact CB-CD1 4.47Å |
| 154 | K | 89.3 | Confident | 90.3 | Very high | 68 Ų | 68 | 68.6 Ų | 68.6 | 30% | 0.296 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63 | -34 | 175.6 | -69.1 | 175.6 | 176.6 | 165.9 | 0 | 112.6 | Y146 A149 P150 P151 F157 | Y146-K154 WeakPolarHBondContact O-CE 3.18Å; Y146-K154 PolarHBondContact O-NZ 3.29Å; A149-K154 HydrophobicContact CB-CG 4.08Å; A149-K154 WeakPolarHBondContact O-CE 3.11Å; A149-K154 PolarHBondContact O-NZ 2.96Å; P150-K154 PolarHBondContact O-N 3.09Å; P150-K154 VanDerWaalsContact O-N 3.08Å; P151-K154 PolarHBondContact O-N 2.69Å; K154-F157 CarbonylContact O-C 3.52Å |
| 155 | K | 89.9 | Confident | 90.5 | Very high | 176 Ų | 176 | 68.5 Ų | 68.5 | 77% | 0.765 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70.9 | -37.5 | 174.9 | -171 | 177.4 | -179.5 | -179.3 | 0 | 112.1 | P151 E152 A153 | P151-K155 PolarHBondContact O-N 3.09Å; E152-K155 PolarHBondContact O-N 2.79Å; A153-K155 VanDerWaalsContact C-N 3.28Å; A153-K155 PolarHBondContact O-N 3.28Å |
| 156 | T | 88.2 | Confident | 90.7 | Very high | 75 Ų | 75 | 67.8 Ų | 67.8 | 46% | 0.46 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -79.2 | -39.6 | -177.3 | -55.4 | 0 | 0 | 0 | 0 | 112.1 | V127 E152 A153 | V127-T156 HydrophobicContact CG1-CG2 4.26Å; E152-T156 WeakPolarHBondContact O-CB 3.39Å; E152-T156 PolarHBondContact O-N 3.45Å; E152-T156 PolarHBondContact O-OG1 3.24Å; A153-T156 PolarHBondContact O-N 3.36Å |
| 157 | F | 90.5 | Very high | 91.1 | Very high | 15 Ų | 15 | 63 Ų | 63 | 7% | 0.066 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -115.9 | 86.9 | 178.9 | -57.3 | -73.5 | 0 | 0 | 0 | 108.6 | L120 R123 A124 V127 L129 A153 K154 S159 A162 L163 A166 | L120-F157 HydrophobicContact CD1-CE1 3.97Å; L120-F157 HydrophobicContact CD1-CZ 4.5Å; R123-F157 HydrophobicContact CB-CZ 4.47Å; A124-F157 HydrophobicContact CB-CE2 4.33Å; A124-F157 HydrophobicContact CB-CZ 4.3Å; V127-F157 HydrophobicContact CG2-CD2 4.21Å; V127-F157 HydrophobicContact CG2-CE2 3.69Å; L129-F157 HydrophobicContact CD1-CD2 3.81Å; L129-F157 HydrophobicContact CD1-CE2 3.84Å; A153-F157 PolarHBondContact O-N 3.18Å; K154-F157 CarbonylContact O-C 3.52Å; F157-S159 VanDerWaalsContact C-N 3.31Å; F157-S159 PolarHBondContact O-N 3Å; F157-A162 HydrophobicContact CB-CB 4.15Å; F157-A162 HydrophobicContact CD1-CB 4.42Å; F157-L163 HydrophobicContact CB-CB 4.18Å; F157-L163 HydrophobicContact CB-CD1 4.47Å; F157-A166 HydrophobicContact CD1-CB 3.99Å; F157-A166 HydrophobicContact CD2-CB 4.07Å; F157-A166 HydrophobicContact CE1-CB 3.78Å; F157-A166 HydrophobicContact CE2-CB 3.86Å; F157-A166 HydrophobicContact CG-CB 4.13Å; F157-A166 HydrophobicContact CZ-CB 3.71Å |
| 158 | T | 85 | Confident | 91.4 | Very high | 117 Ų | 117 | 60.3 Ų | 60.3 | 72% | 0.718 | 33% | 0.326 | S | S | * | . | trans | -68.7 | -24.4 | -166.1 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 159 | S | 90.7 | Very high | 91.6 | Very high | 47 Ų | 47 | 57 Ų | 57 | 33% | 0.329 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -105.5 | 152.2 | 176.3 | 73.2 | 0 | 0 | 0 | 0 | 112 | F157 T161 A162 L163 | F157-S159 VanDerWaalsContact C-N 3.31Å; F157-S159 PolarHBondContact O-N 3Å; S159-T161 PolarHBondContact O-N 3.48Å; S159-T161 PolarHBondContact OG-OG1 3.4Å; S159-A162 PolarHBondContact O-N 3.35Å; S159-A162 VanDerWaalsContact O-N 3.15Å; S159-A162 VanDerWaalsContact OG-CB 3.25Å; S159-A162 WeakPolarHBondContact OG-CB 3.15Å; S159-A162 PolarHBondContact OG-N 3.11Å; S159-L163 PolarHBondContact O-N 3.47Å; S159-L163 VanDerWaalsContact O-N 3.08Å |
| 160 | K | 90.4 | Very high | 91.7 | Very high | 114 Ų | 114 | 56.8 Ų | 56.8 | 50% | 0.496 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -54.3 | -42.2 | 172.3 | -177.5 | 174 | 176.1 | 175 | 0 | 111.6 | Y146 L163 E164 | Y146-K160 HydrophobicContact CD2-CB 4.35Å; K160-L163 PolarHBondContact O-N 3.24Å; K160-E164 WeakPolarHBondContact CE-OE1 3.24Å; K160-E164 WeakPolarHBondContact O-CG 3.48Å; K160-E164 PolarHBondContact O-N 2.86Å |
| 161 | T | 92.4 | Very high | 91.9 | Very high | 97 Ų | 97 | 55.2 Ų | 55.2 | 60% | 0.595 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.7 | -39.1 | 177.8 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | S159 L163 E164 D165 | S159-T161 PolarHBondContact O-N 3.48Å; S159-T161 PolarHBondContact OG-OG1 3.4Å; T161-L163 VanDerWaalsContact C-N 3.29Å; T161-L163 PolarHBondContact O-N 2.9Å; T161-E164 PolarHBondContact O-N 3.05Å; T161-D165 WeakPolarHBondContact O-CB 3.44Å; T161-D165 PolarHBondContact O-N 3.34Å |
| 162 | A | 93.1 | Very high | 92.1 | Very high | 30 Ų | 30 | 50 Ų | 50 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.1 | -33.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F157 S159 A166 | F157-A162 HydrophobicContact CB-CB 4.15Å; F157-A162 HydrophobicContact CD1-CB 4.42Å; S159-A162 PolarHBondContact O-N 3.35Å; S159-A162 VanDerWaalsContact O-N 3.15Å; S159-A162 VanDerWaalsContact OG-CB 3.25Å; S159-A162 WeakPolarHBondContact OG-CB 3.15Å; S159-A162 PolarHBondContact OG-N 3.11Å; A162-A166 WeakPolarHBondContact O-CB 3.37Å; A162-A166 PolarHBondContact O-N 3.01Å |
| 163 | L | 93.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.9 | -43.1 | 176.6 | -162.3 | 134.8 | 0 | 0 | 0 | 111.6 | L129 M145 A149 A153 F157 S159 K160 T161 D165 A166 V167 | L129-L163 HydrophobicContact CD1-CG 4.39Å; L129-L163 HydrophobicContact CD2-CD1 4.32Å; L129-L163 HydrophobicContact CD2-CD2 4.26Å; L129-L163 HydrophobicContact CD2-CG 4.26Å; M145-L163 HydrophobicContact CB-CD2 3.92Å; M145-L163 WeakPolarHBondContact O-CD2 3.2Å; A149-L163 HydrophobicContact CB-CD1 3.48Å; A149-L163 VanDerWaalsContact CB-CD1 3.48Å; A149-L163 HydrophobicContact CB-CD2 4.04Å; A149-L163 HydrophobicContact CB-CG 4.36Å; A153-L163 HydrophobicContact CB-CD1 4.47Å; F157-L163 HydrophobicContact CB-CB 4.18Å; F157-L163 HydrophobicContact CB-CD1 4.47Å; S159-L163 PolarHBondContact O-N 3.47Å; S159-L163 VanDerWaalsContact O-N 3.08Å; K160-L163 PolarHBondContact O-N 3.24Å; T161-L163 VanDerWaalsContact C-N 3.29Å; T161-L163 PolarHBondContact O-N 2.9Å; L163-D165 VanDerWaalsContact C-N 3.35Å; L163-A166 WeakPolarHBondContact O-CB 3.15Å; L163-A166 PolarHBondContact O-N 3.25Å; L163-V167 HydrophobicContact CD2-CG2 4.38Å; L163-V167 WeakPolarHBondContact O-CG2 3.5Å; L163-V167 PolarHBondContact O-N 2.94Å |
| 164 | E | 94.3 | Very high | 92.2 | Very high | 59 Ų | 59 | 46.3 Ų | 46.3 | 28% | 0.276 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.8 | -44.5 | 171.2 | -74.9 | 170.3 | -178.9 | 0 | 0 | 111.4 | M145 K160 T161 A166 V167 S168 F321 | M145-E164 HydrophobicContact SD-CB 4.42Å; M145-E164 HydrophobicContact SD-CG 3.79Å; K160-E164 WeakPolarHBondContact CE-OE1 3.24Å; K160-E164 WeakPolarHBondContact O-CG 3.48Å; K160-E164 PolarHBondContact O-N 2.86Å; T161-E164 PolarHBondContact O-N 3.05Å; E164-A166 PolarHBondContact O-N 3.14Å; E164-V167 PolarHBondContact O-N 2.77Å; E164-S168 WeakPolarHBondContact O-CB 3.22Å; E164-S168 PolarHBondContact O-N 3.35Å; E164-F321 HydrophobicContact CB-CE2 4.16Å; E164-F321 WeakPolarHBondContact O-CZ 3.34Å |
| 165 | D | 94.3 | Very high | 92.5 | Very high | 78 Ų | 78 | 43 Ų | 43 | 42% | 0.417 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 176.1 | -171.6 | 48.8 | 0 | 0 | 0 | 111.9 | L120 T161 L163 S168 H169 | L120-D165 WeakPolarHBondContact CD2-OD2 3.44Å; T161-D165 WeakPolarHBondContact O-CB 3.44Å; T161-D165 PolarHBondContact O-N 3.34Å; L163-D165 VanDerWaalsContact C-N 3.35Å; D165-S168 PolarHBondContact O-N 3.34Å; D165-H169 PolarHBondContact O-N 3.23Å; D165-H169 PolarHBondContact O-ND1 3.35Å; D165-H169 IonicContact OD1-CE1 2.59Å; D165-H169 PolarHBondContact OD1-CE1 3.39Å; D165-H169 IonicContact OD1-ND1 3.38Å; D165-H169 PolarHBondContact OD1-ND1 3.43Å; D165-H169 IonicContact OD2-CE1 3.23Å; D165-H169 PolarHBondContact OD2-CE1 3.35Å; D165-H169 IonicContact OD2-ND1 2.87Å |
| 166 | A | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.2 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A124 L129 F157 A162 L163 E164 H169 I170 | A124-A166 HydrophobicContact CB-CB 3.87Å; L129-A166 HydrophobicContact CD1-CB 3.96Å; F157-A166 HydrophobicContact CD1-CB 3.99Å; F157-A166 HydrophobicContact CD2-CB 4.07Å; F157-A166 HydrophobicContact CE1-CB 3.78Å; F157-A166 HydrophobicContact CE2-CB 3.86Å; F157-A166 HydrophobicContact CG-CB 4.13Å; F157-A166 HydrophobicContact CZ-CB 3.71Å; A162-A166 WeakPolarHBondContact O-CB 3.37Å; A162-A166 PolarHBondContact O-N 3.01Å; L163-A166 WeakPolarHBondContact O-CB 3.15Å; L163-A166 PolarHBondContact O-N 3.25Å; E164-A166 PolarHBondContact O-N 3.14Å; A166-H169 PolarHBondContact O-N 3.25Å; A166-I170 PolarHBondContact O-N 3.23Å |
| 167 | V | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 175.6 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | L129 I132 A133 I136 M145 L163 E164 H169 I170 I171 F321 | L129-V167 HydrophobicContact CB-CG2 4.42Å; L129-V167 HydrophobicContact CD2-CG2 4.42Å; I132-V167 HydrophobicContact CG2-CG2 4.41Å; A133-V167 HydrophobicContact CB-CG1 4.14Å; I136-V167 HydrophobicContact CD1-CG1 3.81Å; M145-V167 HydrophobicContact SD-CB 4.35Å; M145-V167 HydrophobicContact SD-CG1 4.26Å; L163-V167 HydrophobicContact CD2-CG2 4.38Å; L163-V167 WeakPolarHBondContact O-CG2 3.5Å; L163-V167 PolarHBondContact O-N 2.94Å; E164-V167 PolarHBondContact O-N 2.77Å; V167-H169 VanDerWaalsContact C-N 3.29Å; V167-H169 PolarHBondContact O-N 3.36Å; V167-I170 WeakPolarHBondContact O-CB 2.95Å; V167-I170 PolarHBondContact O-N 3.34Å; V167-I171 HydrophobicContact CG1-CD1 4.41Å; V167-I171 PolarHBondContact O-N 3.37Å; V167-F321 HydrophobicContact CB-CZ 4.29Å; V167-F321 HydrophobicContact CG1-CE1 4.05Å; V167-F321 HydrophobicContact CG1-CZ 4.16Å |
| 168 | S | 96 | Very high | 92.3 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 8% | 0.077 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.3 | -42.4 | 175.4 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | E164 D165 I170 I171 A172 A325 | E164-S168 WeakPolarHBondContact O-CB 3.22Å; E164-S168 PolarHBondContact O-N 3.35Å; D165-S168 PolarHBondContact O-N 3.34Å; S168-I170 VanDerWaalsContact C-N 3.32Å; S168-I170 PolarHBondContact O-N 3.3Å; S168-I171 PolarHBondContact O-N 2.86Å; S168-A172 WeakPolarHBondContact O-CB 3.32Å; S168-A172 PolarHBondContact O-N 3.07Å; S168-A325 WeakPolarHBondContact OG-CB 3.39Å |
| 169 | H | 94.4 | Very high | 92.4 | Very high | 27 Ų | 27 | 27.9 Ų | 27.9 | 13% | 0.125 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.1 | -30.8 | 176.2 | -80.2 | 74.8 | 0 | 0 | 0 | 113.5 | L120 A121 D165 A166 V167 D173 R332 | L120-H169 HydrophobicContact CB-CB 4.41Å; L120-H169 HydrophobicContact CD2-CB 4.17Å; L120-H169 VanDerWaalsContact CD2-CE1 3.49Å; L120-H169 WeakPolarHBondContact CD2-CE1 3.2Å; L120-H169 WeakPolarHBondContact CD2-ND1 3.34Å; A121-H169 HydrophobicContact CB-CB 4.32Å; A121-H169 WeakPolarHBondContact CB-O 3.03Å; D165-H169 PolarHBondContact O-N 3.23Å; D165-H169 PolarHBondContact O-ND1 3.35Å; D165-H169 IonicContact OD1-CE1 2.59Å; D165-H169 PolarHBondContact OD1-CE1 3.39Å; D165-H169 IonicContact OD1-ND1 3.38Å; D165-H169 PolarHBondContact OD1-ND1 3.43Å; D165-H169 IonicContact OD2-CE1 3.23Å; D165-H169 PolarHBondContact OD2-CE1 3.35Å; D165-H169 IonicContact OD2-ND1 2.87Å; A166-H169 PolarHBondContact O-N 3.25Å; V167-H169 VanDerWaalsContact C-N 3.29Å; V167-H169 PolarHBondContact O-N 3.36Å; H169-D173 WeakPolarHBondContact O-CB 3.36Å; H169-D173 PolarHBondContact O-N 2.94Å; H169-R332 PolarHBondContact CD2-NH2 3.12Å |
| 170 | I | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.5 | -48.3 | 171.6 | -66.9 | 171 | 0 | 0 | 0 | 109.8 | A124 K125 L129 E130 A133 A166 V167 S168 A172 D173 I174 | A124-I170 HydrophobicContact CB-CD1 3.55Å; A124-I170 HydrophobicContact CB-CG1 3.79Å; K125-I170 HydrophobicContact CG-CD1 4.14Å; K125-I170 HydrophobicContact CG-CG1 4.1Å; L129-I170 HydrophobicContact CB-CD1 3.78Å; E130-I170 HydrophobicContact CG-CG2 4.34Å; A133-I170 HydrophobicContact CB-CB 3.99Å; A133-I170 HydrophobicContact CB-CG2 3.51Å; A166-I170 PolarHBondContact O-N 3.23Å; V167-I170 WeakPolarHBondContact O-CB 2.95Å; V167-I170 PolarHBondContact O-N 3.34Å; S168-I170 VanDerWaalsContact C-N 3.32Å; S168-I170 PolarHBondContact O-N 3.3Å; I170-A172 VanDerWaalsContact C-N 3.31Å; I170-A172 PolarHBondContact O-N 2.82Å; I170-D173 WeakPolarHBondContact O-CB 3.39Å; I170-D173 PolarHBondContact O-N 3.02Å; I170-D173 VanDerWaalsContact O-N 3.15Å; I170-I174 HydrophobicContact CG2-CD1 4.07Å; I170-I174 WeakPolarHBondContact O-CG1 3.37Å; I170-I174 PolarHBondContact O-N 2.96Å |
| 171 | I | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 178 | -65 | 177.2 | 0 | 0 | 0 | 110.8 | A133 I136 L137 V167 S168 D173 I174 F175 F321 V322 A325 | A133-I171 HydrophobicContact CB-CG1 3.88Å; I136-I171 HydrophobicContact CB-CD1 4.43Å; I136-I171 HydrophobicContact CG2-CD1 4Å; L137-I171 HydrophobicContact CD1-CG1 4.29Å; L137-I171 HydrophobicContact CD1-CG2 4.27Å; L137-I171 HydrophobicContact CD2-CG2 4.02Å; L137-I171 HydrophobicContact CG-CG1 4.4Å; L137-I171 HydrophobicContact CG-CG2 4.46Å; V167-I171 HydrophobicContact CG1-CD1 4.41Å; V167-I171 PolarHBondContact O-N 3.37Å; S168-I171 PolarHBondContact O-N 2.86Å; I171-D173 VanDerWaalsContact C-N 3.3Å; I171-D173 PolarHBondContact O-N 2.91Å; I171-I174 WeakPolarHBondContact O-CB 3.31Å; I171-I174 PolarHBondContact O-N 3.3Å; I171-I174 VanDerWaalsContact O-N 3.14Å; I171-F175 HydrophobicContact CG2-CD2 4Å; I171-F175 HydrophobicContact CG2-CE1 4.45Å; I171-F175 HydrophobicContact CG2-CE2 3.52Å; I171-F175 HydrophobicContact CG2-CZ 3.8Å; I171-F175 PolarHBondContact O-N 3.27Å; I171-F321 HydrophobicContact CD1-CD1 4.25Å; I171-F321 HydrophobicContact CD1-CE1 3.78Å; I171-V322 HydrophobicContact CD1-CG2 4.5Å; I171-A325 HydrophobicContact CB-CB 3.92Å; I171-A325 HydrophobicContact CG2-CB 3.66Å |
| 172 | A | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S168 I170 A176 A329 | S168-A172 WeakPolarHBondContact O-CB 3.32Å; S168-A172 PolarHBondContact O-N 3.07Å; I170-A172 VanDerWaalsContact C-N 3.31Å; I170-A172 PolarHBondContact O-N 2.82Å; A172-A176 WeakPolarHBondContact O-CB 3.26Å; A172-A176 PolarHBondContact O-N 3.38Å; A172-A329 HydrophobicContact CB-CB 3.71Å; A172-A329 WeakPolarHBondContact O-CB 3.39Å |
| 173 | D | 89.7 | Confident | 92.6 | Very high | 26 Ų | 26 | 20.2 Ų | 20.2 | 14% | 0.139 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.8 | -35.8 | 174.7 | -169.6 | 62 | 0 | 0 | 0 | 112 | A121 K125 H169 I170 I171 K177 | A121-D173 HydrophobicContact CB-CB 3.95Å; K125-D173 IonicContact NZ-OD2 3.52Å; H169-D173 WeakPolarHBondContact O-CB 3.36Å; H169-D173 PolarHBondContact O-N 2.94Å; I170-D173 WeakPolarHBondContact O-CB 3.39Å; I170-D173 PolarHBondContact O-N 3.02Å; I170-D173 VanDerWaalsContact O-N 3.15Å; I171-D173 VanDerWaalsContact C-N 3.3Å; I171-D173 PolarHBondContact O-N 2.91Å; D173-K177 WeakPolarHBondContact O-CB 3.37Å; D173-K177 WeakPolarHBondContact O-CD 3.39Å; D173-K177 WeakPolarHBondContact O-CG 3.36Å; D173-K177 PolarHBondContact O-N 3.27Å; D173-K177 VanDerWaalsContact OD1-CE 3.25Å; D173-K177 WeakPolarHBondContact OD1-CE 3.34Å; D173-K177 IonicContact OD1-NZ 3.25Å; D173-K177 PolarHBondContact OD1-NZ 2.73Å; D173-K177 IonicContact OD2-NZ 2.81Å; D173-K177 PolarHBondContact OD2-NZ 3.31Å |
| 174 | I | 91.4 | Very high | 92.7 | Very high | 31 Ų | 31 | 22.9 Ų | 22.9 | 16% | 0.159 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62 | -52.1 | 172.9 | -68.4 | 167.5 | 0 | 0 | 0 | 110.1 | L134 L137 I170 I171 A176 K177 D178 | L134-I174 HydrophobicContact CD2-CD1 4.11Å; L137-I174 HydrophobicContact CD1-CD1 3.84Å; L137-I174 HydrophobicContact CD1-CG2 4.15Å; I170-I174 HydrophobicContact CG2-CD1 4.07Å; I170-I174 WeakPolarHBondContact O-CG1 3.37Å; I170-I174 PolarHBondContact O-N 2.96Å; I171-I174 WeakPolarHBondContact O-CB 3.31Å; I171-I174 PolarHBondContact O-N 3.3Å; I171-I174 VanDerWaalsContact O-N 3.14Å; I174-A176 VanDerWaalsContact C-N 3.34Å; I174-A176 PolarHBondContact O-N 3.18Å; I174-K177 PolarHBondContact O-N 2.75Å; I174-K177 VanDerWaalsContact O-N 3.11Å; I174-D178 PolarHBondContact O-N 3.28Å; I174-D178 VanDerWaalsContact O-N 3.11Å |
| 175 | F | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 179.8 | -67.2 | -27.5 | 0 | 0 | 0 | 113.2 | L137 I171 K177 D178 I181 V306 Y310 V322 F326 A329 | L137-F175 HydrophobicContact CD2-CE1 3.97Å; L137-F175 HydrophobicContact CD2-CZ 3.77Å; I171-F175 HydrophobicContact CG2-CD2 4Å; I171-F175 HydrophobicContact CG2-CE1 4.45Å; I171-F175 HydrophobicContact CG2-CE2 3.52Å; I171-F175 HydrophobicContact CG2-CZ 3.8Å; I171-F175 PolarHBondContact O-N 3.27Å; F175-K177 PolarHBondContact O-N 3.14Å; F175-D178 PolarHBondContact O-N 2.92Å; F175-I181 HydrophobicContact CB-CD1 4.15Å; F175-I181 HydrophobicContact CD1-CD1 3.78Å; F175-I181 HydrophobicContact CG-CD1 4.26Å; F175-V306 HydrophobicContact CE1-CG1 4.14Å; F175-V306 HydrophobicContact CE2-CG1 4.36Å; F175-V306 HydrophobicContact CZ-CG1 3.95Å; F175-Y310 AromaticContact CD1-CE2 3.99Å; F175-Y310 HydrophobicContact CD1-CE2 3.99Å; F175-Y310 HydrophobicContact CE1-CD1 4.37Å; F175-Y310 AromaticContact CE1-CD2 3.73Å; F175-Y310 HydrophobicContact CE1-CD2 3.73Å; F175-Y310 HydrophobicContact CE1-CE1 4.22Å; F175-Y310 AromaticContact CE1-CE2 3.56Å; F175-Y310 HydrophobicContact CE1-CE2 3.56Å; F175-Y310 HydrophobicContact CE1-CG 4.14Å; F175-Y310 AromaticContact CE1-CZ 3.83Å; F175-Y310 HydrophobicContact CZ-CD2 4.44Å; F175-V322 HydrophobicContact CE2-CG1 4.13Å; F175-V322 HydrophobicContact CZ-CG1 3.73Å; F175-F326 HydrophobicContact CD2-CB 3.84Å; F175-F326 HydrophobicContact CD2-CD2 4.08Å; F175-F326 HydrophobicContact CD2-CG 4.48Å; F175-F326 HydrophobicContact CE2-CB 3.76Å; F175-A329 HydrophobicContact CB-CB 4.26Å |
| 176 | A | 90.2 | Very high | 92.7 | Very high | 10 Ų | 10 | 18.8 Ų | 18.8 | 8% | 0.083 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.5 | -16.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A172 I174 L333 I334 | A172-A176 WeakPolarHBondContact O-CB 3.26Å; A172-A176 PolarHBondContact O-N 3.38Å; I174-A176 VanDerWaalsContact C-N 3.34Å; I174-A176 PolarHBondContact O-N 3.18Å; A176-L333 HydrophobicContact CB-CB 3.61Å; A176-L333 HydrophobicContact CB-CD1 3.6Å; A176-L333 HydrophobicContact CB-CG 4.24Å; A176-I334 HydrophobicContact CB-CG1 4.22Å |
| 177 | K | 85.4 | Confident | 92.8 | Very high | 43 Ų | 43 | 23.8 Ų | 23.8 | 19% | 0.187 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -108.3 | -3.3 | -179.4 | -70.2 | 170.1 | 175.5 | 163.6 | 0 | 113.6 | L107 P111 D173 I174 F175 L179 | L107-K177 HydrophobicContact CD1-CG 4.04Å; L107-K177 HydrophobicContact CG-CG 4.27Å; P111-K177 HydrophobicContact CG-CD 3.74Å; D173-K177 WeakPolarHBondContact O-CB 3.37Å; D173-K177 WeakPolarHBondContact O-CD 3.39Å; D173-K177 WeakPolarHBondContact O-CG 3.36Å; D173-K177 PolarHBondContact O-N 3.27Å; D173-K177 VanDerWaalsContact OD1-CE 3.25Å; D173-K177 WeakPolarHBondContact OD1-CE 3.34Å; D173-K177 IonicContact OD1-NZ 3.25Å; D173-K177 PolarHBondContact OD1-NZ 2.73Å; D173-K177 IonicContact OD2-NZ 2.81Å; D173-K177 PolarHBondContact OD2-NZ 3.31Å; I174-K177 PolarHBondContact O-N 2.75Å; I174-K177 VanDerWaalsContact O-N 3.11Å; F175-K177 PolarHBondContact O-N 3.14Å; K177-L179 PolarHBondContact O-N 2.75Å |
| 178 | D | 88.8 | Confident | 92.8 | Very high | 9 Ų | 9 | 24.2 Ų | 24.2 | 5% | 0.048 | 12% | 0.115 | C | C | . | . | trans | -76.7 | 107.1 | 174.6 | -174.5 | -29.4 | 0 | 0 | 0 | 109.9 | I174 F175 D180 I181 I182 K309 Y310 | I174-D178 PolarHBondContact O-N 3.28Å; I174-D178 VanDerWaalsContact O-N 3.11Å; F175-D178 PolarHBondContact O-N 2.92Å; D178-D180 PolarHBondContact O-N 3.32Å; D178-D180 WeakPolarHBondContact OD1-CB 3.45Å; D178-D180 PolarHBondContact OD1-N 2.9Å; D178-I181 HydrophobicContact CB-CB 4.13Å; D178-I181 HydrophobicContact CB-CD1 3.66Å; D178-I181 HydrophobicContact CB-CG1 3.91Å; D178-I181 PolarHBondContact O-N 3.31Å; D178-I181 VanDerWaalsContact O-N 3.11Å; D178-I181 PolarHBondContact OD1-N 3.45Å; D178-I182 WeakPolarHBondContact O-CG1 3.48Å; D178-I182 PolarHBondContact O-N 2.99Å; D178-K309 VanDerWaalsContact CG-NZ 3.26Å; D178-K309 IonicContact OD1-NZ 3.9Å; D178-K309 PolarHBondContact OD1-NZ 3.37Å; D178-K309 WeakPolarHBondContact OD2-CE 3.39Å; D178-K309 IonicContact OD2-NZ 3.01Å; D178-K309 PolarHBondContact OD2-NZ 3.44Å; D178-Y310 PolarHBondContact OD2-OH 3.04Å | ||
| 179 | L | 87.5 | Confident | 92.8 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.8 | -26.8 | -178.2 | -75.1 | 179.6 | 0 | 0 | 0 | 113.4 | Q95 D104 L107 L108 K177 R183 | Q95-L179 HydrophobicContact CB-CD1 4.28Å; D104-L179 HydrophobicContact CB-CD2 4.25Å; L107-L179 HydrophobicContact CD2-CD2 4.26Å; L108-L179 HydrophobicContact CD1-CD1 3.82Å; L108-L179 HydrophobicContact CD2-CD1 4.2Å; L108-L179 HydrophobicContact CD2-CG 4.16Å; L108-L179 HydrophobicContact CG-CD1 4.2Å; L108-L179 HydrophobicContact CG-CG 4.5Å; K177-L179 PolarHBondContact O-N 2.75Å; L179-R183 VanDerWaalsContact O-CB 3.27Å; L179-R183 WeakPolarHBondContact O-CB 3.2Å; L179-R183 WeakPolarHBondContact O-CD 3.42Å; L179-R183 WeakPolarHBondContact O-CG 3.47Å; L179-R183 PolarHBondContact O-N 3.31Å |
| 180 | D | 91.5 | Very high | 92.6 | Very high | 52 Ų | 52 | 28 Ų | 28 | 28% | 0.278 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -71.1 | -40.8 | 177.1 | -57.6 | -36.2 | 0 | 0 | 0 | 110.3 | D178 K184 F305 K309 | D178-D180 PolarHBondContact O-N 3.32Å; D178-D180 WeakPolarHBondContact OD1-CB 3.45Å; D178-D180 PolarHBondContact OD1-N 2.9Å; D180-K184 VanDerWaalsContact O-CB 3.32Å; D180-K184 WeakPolarHBondContact O-CB 3.27Å; D180-K184 PolarHBondContact O-N 3.36Å; D180-F305 HydrophobicContact CB-CE1 4.24Å; D180-F305 HydrophobicContact CB-CZ 4.1Å; D180-K309 IonicContact OD2-NZ 2.94Å; D180-K309 PolarHBondContact OD2-NZ 2.65Å |
| 181 | I | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.3 | -48.2 | 175 | -63.1 | 172.7 | 0 | 0 | 0 | 109.8 | F175 D178 R183 K184 A185 F305 V306 Y310 F326 I334 | F175-I181 HydrophobicContact CB-CD1 4.15Å; F175-I181 HydrophobicContact CD1-CD1 3.78Å; F175-I181 HydrophobicContact CG-CD1 4.26Å; D178-I181 HydrophobicContact CB-CB 4.13Å; D178-I181 HydrophobicContact CB-CD1 3.66Å; D178-I181 HydrophobicContact CB-CG1 3.91Å; D178-I181 PolarHBondContact O-N 3.31Å; D178-I181 VanDerWaalsContact O-N 3.11Å; D178-I181 PolarHBondContact OD1-N 3.45Å; I181-R183 PolarHBondContact O-N 3.22Å; I181-K184 PolarHBondContact O-N 3.4Å; I181-A185 WeakPolarHBondContact O-CB 3.16Å; I181-A185 PolarHBondContact O-N 2.95Å; I181-F305 HydrophobicContact CG1-CD1 4.34Å; I181-F305 HydrophobicContact CG1-CE1 4.11Å; I181-V306 HydrophobicContact CD1-CG2 3.8Å; I181-V306 HydrophobicContact CG1-CG2 4.01Å; I181-V306 HydrophobicContact CG2-CG2 4.21Å; I181-Y310 HydrophobicContact CD1-CE2 4.01Å; I181-F326 HydrophobicContact CG2-CE2 4.48Å; I181-I334 HydrophobicContact CG2-CD1 4.29Å |
| 182 | I | 93 | Very high | 92.7 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | -180 | -63 | -59.2 | 0 | 0 | 0 | 111.2 | L107 D178 K184 A185 E186 I334 | L107-I182 HydrophobicContact CD2-CG1 4.18Å; D178-I182 WeakPolarHBondContact O-CG1 3.48Å; D178-I182 PolarHBondContact O-N 2.99Å; I182-K184 PolarHBondContact O-N 3.13Å; I182-A185 WeakPolarHBondContact O-CB 3.3Å; I182-A185 PolarHBondContact O-N 2.72Å; I182-E186 WeakPolarHBondContact O-CG 3.03Å; I182-E186 PolarHBondContact O-N 3.47Å; I182-I334 HydrophobicContact CD1-CG1 4.13Å; I182-I334 HydrophobicContact CD1-CG2 4.04Å |
| 183 | R | 91.7 | Very high | 92.7 | Very high | 69 Ų | 69 | 41.3 Ų | 41.3 | 26% | 0.26 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63 | -41.4 | 177.4 | -76.5 | 171.6 | -178.3 | 149.9 | 4.9 | 112.3 | K98 L179 I181 A185 E186 E187 | K98-R183 PolarHBondContact O-NH2 3.22Å; L179-R183 VanDerWaalsContact O-CB 3.27Å; L179-R183 WeakPolarHBondContact O-CB 3.2Å; L179-R183 WeakPolarHBondContact O-CD 3.42Å; L179-R183 WeakPolarHBondContact O-CG 3.47Å; L179-R183 PolarHBondContact O-N 3.31Å; I181-R183 PolarHBondContact O-N 3.22Å; R183-A185 VanDerWaalsContact C-N 3.26Å; R183-A185 PolarHBondContact O-N 2.8Å; R183-E186 PolarHBondContact O-N 3.34Å; R183-E187 WeakPolarHBondContact O-CB 3.46Å; R183-E187 PolarHBondContact O-N 2.72Å |
| 184 | K | 95.7 | Very high | 93 | Very high | 56 Ų | 56 | 40.3 Ų | 40.3 | 24% | 0.243 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 176.2 | -172.1 | 54.1 | 171 | -178.7 | 0 | 110.8 | D180 I181 I182 E187 L188 F305 | D180-K184 VanDerWaalsContact O-CB 3.32Å; D180-K184 WeakPolarHBondContact O-CB 3.27Å; D180-K184 PolarHBondContact O-N 3.36Å; I181-K184 PolarHBondContact O-N 3.4Å; I182-K184 PolarHBondContact O-N 3.13Å; K184-E187 VanDerWaalsContact CD-OE2 3.27Å; K184-E187 WeakPolarHBondContact CD-OE2 3.34Å; K184-E187 IonicContact NZ-OE1 2.78Å; K184-E187 PolarHBondContact NZ-OE1 3.25Å; K184-E187 IonicContact NZ-OE2 2.87Å; K184-E187 PolarHBondContact NZ-OE2 2.98Å; K184-E187 PolarHBondContact O-N 3.28Å; K184-L188 HydrophobicContact CG-CD1 4.2Å; K184-L188 WeakPolarHBondContact O-CB 3.17Å; K184-L188 WeakPolarHBondContact O-CD1 3.45Å; K184-L188 WeakPolarHBondContact O-CG 3.33Å; K184-L188 PolarHBondContact O-N 2.85Å; K184-F305 HydrophobicContact CB-CD1 4.05Å; K184-F305 HydrophobicContact CB-CE1 4.2Å; K184-F305 HydrophobicContact CB-CG 4.25Å; K184-F305 HydrophobicContact CG-CB 4.06Å; K184-F305 HydrophobicContact CG-CD1 4.12Å; K184-F305 HydrophobicContact CG-CD2 4.08Å; K184-F305 HydrophobicContact CG-CG 3.81Å |
| 185 | A | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.4 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I181 I182 R183 L188 C189 W330 I334 L338 | I181-A185 WeakPolarHBondContact O-CB 3.16Å; I181-A185 PolarHBondContact O-N 2.95Å; I182-A185 WeakPolarHBondContact O-CB 3.3Å; I182-A185 PolarHBondContact O-N 2.72Å; R183-A185 VanDerWaalsContact C-N 3.26Å; R183-A185 PolarHBondContact O-N 2.8Å; A185-L188 PolarHBondContact O-N 3.06Å; A185-C189 PolarHBondContact O-N 3.07Å; A185-C189 PolarHBondContact O-SG 3.1Å; A185-W330 HydrophobicContact CB-CH2 4.21Å; A185-W330 HydrophobicContact CB-CZ3 4.11Å; A185-I334 HydrophobicContact CB-CG2 4.48Å; A185-L338 HydrophobicContact CB-CD1 3.73Å; A185-L338 HydrophobicContact CB-CD2 4.12Å |
| 186 | E | 93.6 | Very high | 93.4 | Very high | 51 Ų | 51 | 41.5 Ų | 41.5 | 24% | 0.238 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 174.2 | -71.4 | -165.6 | 125.5 | 0 | 0 | 113.2 | I182 R183 L188 C189 S190 L338 S341 K345 | I182-E186 WeakPolarHBondContact O-CG 3.03Å; I182-E186 PolarHBondContact O-N 3.47Å; R183-E186 PolarHBondContact O-N 3.34Å; E186-L188 VanDerWaalsContact C-N 3.33Å; E186-C189 WeakPolarHBondContact O-CB 3.1Å; E186-C189 PolarHBondContact O-N 3.12Å; E186-S190 PolarHBondContact O-N 2.65Å; E186-S190 VanDerWaalsContact O-N 3.17Å; E186-S190 PolarHBondContact O-OG 3.3Å; E186-L338 HydrophobicContact CG-CD2 3.63Å; E186-S341 PolarHBondContact OE1-OG 3.23Å; E186-S341 VanDerWaalsContact OE1-OG 3.05Å; E186-K345 IonicContact OE1-NZ 2.75Å; E186-K345 PolarHBondContact OE1-NZ 3.39Å |
| 187 | E | 94.9 | Very high | 93.8 | Very high | 105 Ų | 105 | 43.2 Ų | 43.2 | 49% | 0.491 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 172.9 | -174.9 | -154.1 | 132.2 | 0 | 0 | 110.2 | R183 K184 C189 S190 K191 | R183-E187 WeakPolarHBondContact O-CB 3.46Å; R183-E187 PolarHBondContact O-N 2.72Å; K184-E187 VanDerWaalsContact CD-OE2 3.27Å; K184-E187 WeakPolarHBondContact CD-OE2 3.34Å; K184-E187 IonicContact NZ-OE1 2.78Å; K184-E187 PolarHBondContact NZ-OE1 3.25Å; K184-E187 IonicContact NZ-OE2 2.87Å; K184-E187 PolarHBondContact NZ-OE2 2.98Å; K184-E187 PolarHBondContact O-N 3.28Å; E187-C189 VanDerWaalsContact C-N 3.32Å; E187-C189 PolarHBondContact O-N 2.97Å; E187-S190 WeakPolarHBondContact O-CB 2.79Å; E187-S190 PolarHBondContact O-N 3.39Å; E187-K191 PolarHBondContact O-N 2.84Å |
| 188 | L | 96.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -34.1 | 177.1 | -71.3 | 168.2 | 0 | 0 | 0 | 112.3 | K184 A185 E186 S190 K191 Y192 V298 N301 C302 | K184-L188 HydrophobicContact CG-CD1 4.2Å; K184-L188 WeakPolarHBondContact O-CB 3.17Å; K184-L188 WeakPolarHBondContact O-CD1 3.45Å; K184-L188 WeakPolarHBondContact O-CG 3.33Å; K184-L188 PolarHBondContact O-N 2.85Å; A185-L188 PolarHBondContact O-N 3.06Å; E186-L188 VanDerWaalsContact C-N 3.33Å; L188-S190 PolarHBondContact O-N 2.88Å; L188-K191 PolarHBondContact O-N 3.2Å; L188-Y192 HydrophobicContact CB-CD2 4.46Å; L188-Y192 HydrophobicContact CD2-CD2 4.16Å; L188-Y192 HydrophobicContact CD2-CE2 3.83Å; L188-Y192 WeakPolarHBondContact O-CD2 3.27Å; L188-Y192 PolarHBondContact O-N 3.25Å; L188-V298 HydrophobicContact CB-CB 4.49Å; L188-V298 HydrophobicContact CB-CG1 3.78Å; L188-N301 HydrophobicContact CD1-CB 3.7Å; L188-N301 HydrophobicContact CD2-CB 3.74Å; L188-N301 HydrophobicContact CG-CB 4.39Å; L188-C302 HydrophobicContact CD1-CB 4.06Å |
| 189 | C | 95.3 | Very high | 94.6 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -28.1 | 172.4 | -72.8 | 0 | 0 | 0 | 0 | 113 | A185 E186 E187 I342 | A185-C189 PolarHBondContact O-N 3.07Å; A185-C189 PolarHBondContact O-SG 3.1Å; E186-C189 WeakPolarHBondContact O-CB 3.1Å; E186-C189 PolarHBondContact O-N 3.12Å; E187-C189 VanDerWaalsContact C-N 3.32Å; E187-C189 PolarHBondContact O-N 2.97Å; C189-I342 HydrophobicContact CB-CD1 4.32Å |
| 190 | S | 90.7 | Very high | 94.8 | Very high | 101 Ų | 101 | 48.6 Ų | 48.6 | 71% | 0.706 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -73.3 | -34.5 | 173.6 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | E186 E187 L188 | E186-S190 PolarHBondContact O-N 2.65Å; E186-S190 VanDerWaalsContact O-N 3.17Å; E186-S190 PolarHBondContact O-OG 3.3Å; E187-S190 WeakPolarHBondContact O-CB 2.79Å; E187-S190 PolarHBondContact O-N 3.39Å; L188-S190 PolarHBondContact O-N 2.88Å |
| 191 | K | 94.5 | Very high | 94.6 | Very high | 146 Ų | 146 | 51 Ų | 51 | 64% | 0.635 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -78.8 | -41.2 | 177.4 | -173.2 | 174.2 | -178.9 | 177.5 | 0 | 113.2 | E187 L188 | E187-K191 PolarHBondContact O-N 2.84Å; L188-K191 PolarHBondContact O-N 3.2Å |
| 192 | Y | 96.2 | Very high | 93.8 | Very high | 54 Ų | 54 | 56 Ų | 56 | 21% | 0.212 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -112.4 | 88.9 | -177.8 | -57.9 | -73.5 | 0 | 0 | 0 | 109.8 | L188 A194 Q297 V298 N301 | L188-Y192 HydrophobicContact CB-CD2 4.46Å; L188-Y192 HydrophobicContact CD2-CD2 4.16Å; L188-Y192 HydrophobicContact CD2-CE2 3.83Å; L188-Y192 WeakPolarHBondContact O-CD2 3.27Å; L188-Y192 PolarHBondContact O-N 3.25Å; Y192-A194 PolarHBondContact O-N 3.05Å; Y192-Q297 HydrophobicContact CD1-CB 3.98Å; Y192-Q297 HydrophobicContact CD2-CB 4.33Å; Y192-Q297 HydrophobicContact CE1-CB 4.03Å; Y192-Q297 HydrophobicContact CE1-CG 4.45Å; Y192-Q297 HydrophobicContact CE2-CB 4.4Å; Y192-Q297 HydrophobicContact CG-CB 4.11Å; Y192-V298 HydrophobicContact CD2-CG2 4.43Å; Y192-N301 WeakPolarHBondContact CE2-ND2 3.34Å; Y192-N301 PolarHBondContact OH-ND2 3.13Å |
| 193 | I | 94 | Very high | 92.3 | Very high | 80 Ų | 80 | 64.8 Ų | 64.8 | 41% | 0.41 | 33% | 0.329 | S | S | . | . | trans | -60.7 | 125 | -168.1 | -54.8 | 174.1 | 0 | 0 | 0 | 111 | P267 V268 S269 | I193-P267 HydrophobicContact CG2-CB 4.03Å; I193-V268 HydrophobicContact CG2-CB 4.38Å; I193-S269 WeakPolarHBondContact CD1-OG 3.37Å | ||
| 194 | A | 96.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 73.1 Ų | 73.1 | 3% | 0.033 | 36% | 0.36 | C | S | . | . | trans | -69.5 | 157.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y192 V268 I292 H293 L294 I342 | Y192-A194 PolarHBondContact O-N 3.05Å; A194-V268 HydrophobicContact CB-CG2 4.05Å; A194-V268 WeakPolarHBondContact O-CB 3.49Å; A194-V268 VanDerWaalsContact O-CG2 3.31Å; A194-V268 WeakPolarHBondContact O-CG2 3.37Å; A194-V268 PolarHBondContact O-N 2.86Å; A194-I292 HydrophobicContact CB-CG2 3.73Å; A194-H293 WeakPolarHBondContact CA-O 3.48Å; A194-H293 WeakPolarHBondContact CB-O 3.18Å; A194-L294 HydrophobicContact CB-CD2 3.8Å; A194-I342 HydrophobicContact CB-CD1 4.2Å | ||
| 195 | T | 97.6 | Very high | 87.3 | Confident | 49 Ų | 49 | 73.3 Ų | 73.3 | 30% | 0.301 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.1 | 176.8 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | V197 I292 H293 | T195-V197 HydrophobicContact CG2-CG2 4Å; T195-I292 CarbonylContact O-C 3.54Å; T195-I292 WeakPolarHBondContact O-CA 3.37Å; T195-H293 PolarHBondContact N-O 2.93Å; T195-H293 PolarHBondContact O-N 3.04Å |
| 196 | L | 97.8 | Very high | 84.2 | Confident | 8 Ų | 8 | 83 Ų | 83 | 4% | 0.042 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 130.3 | 170.7 | -176.8 | 148.3 | 0 | 0 | 0 | 109.4 | T198 F264 S265 R266 V268 I271 I279 V290 I292 L346 | L196-T198 HydrophobicContact CD2-CG2 3.82Å; L196-F264 HydrophobicContact CD2-CD1 4.22Å; L196-F264 HydrophobicContact CD2-CE1 4.31Å; L196-S265 VanDerWaalsContact O-CA 3.32Å; L196-S265 WeakPolarHBondContact O-CA 3.39Å; L196-R266 PolarHBondContact N-O 3.12Å; L196-R266 PolarHBondContact O-N 3.02Å; L196-V268 HydrophobicContact CB-CG2 4.35Å; L196-I271 HydrophobicContact CD1-CD1 3.98Å; L196-I271 HydrophobicContact CD2-CD1 4.04Å; L196-I271 HydrophobicContact CG-CD1 4.44Å; L196-I279 HydrophobicContact CD2-CD1 4.04Å; L196-V290 HydrophobicContact CD1-CG1 4.07Å; L196-V290 HydrophobicContact CD2-CG1 4.22Å; L196-V290 HydrophobicContact CG-CG1 4.07Å; L196-I292 HydrophobicContact CB-CG1 4.39Å; L196-I292 HydrophobicContact CD1-CG1 4.37Å; L196-I292 HydrophobicContact CG-CG1 4.41Å; L196-L346 HydrophobicContact CD1-CD1 4.31Å |
| 197 | V | 97.3 | Very high | 81 | Confident | 45 Ų | 45 | 89.7 Ų | 89.7 | 27% | 0.273 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.3 | 179.5 | -174.6 | 0 | 0 | 0 | 0 | 110 | T195 F264 K291 | T195-V197 HydrophobicContact CG2-CG2 4Å; V197-F264 CarbonylContact C-O 3.58Å; V197-F264 WeakPolarHBondContact CA-O 3.34Å; V197-K291 PolarHBondContact N-O 2.8Å; V197-K291 PolarHBondContact O-N 3.03Å |
| 198 | T | 97.2 | Very high | 77.9 | Confident | 3 Ų | 3 | 90.7 Ų | 90.7 | 2% | 0.018 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 148.6 | 172.4 | 73.2 | 0 | 0 | 0 | 0 | 110.9 | L196 Y261 N263 F264 I279 I288 T289 V290 | L196-T198 HydrophobicContact CD2-CG2 3.82Å; T198-Y261 WeakPolarHBondContact CB-O 3.26Å; T198-Y261 PolarHBondContact OG1-O 2.89Å; T198-N263 WeakPolarHBondContact O-CA 3.44Å; T198-F264 HydrophobicContact CG2-CD1 4.49Å; T198-F264 PolarHBondContact N-O 2.87Å; T198-F264 PolarHBondContact O-N 2.51Å; T198-F264 VanDerWaalsContact OG1-CB 3.3Å; T198-F264 WeakPolarHBondContact OG1-CB 3.46Å; T198-F264 PolarHBondContact OG1-N 2.98Å; T198-F264 VanDerWaalsContact OG1-N 3.07Å; T198-I279 HydrophobicContact CG2-CD1 4.3Å; T198-I279 HydrophobicContact CG2-CG1 4.35Å; T198-I279 HydrophobicContact CG2-CG2 4.03Å; T198-I288 HydrophobicContact CG2-CD1 4.06Å; T198-T289 VanDerWaalsContact CA-O 3.26Å; T198-T289 WeakPolarHBondContact CA-O 3.45Å; T198-V290 HydrophobicContact CG2-CG1 4.35Å; T198-V290 HydrophobicContact CG2-CG2 4.13Å |
| 199 | A | 94.1 | Very high | 74.7 | Confident | 39 Ų | 39 | 98.1 Ų | 98.1 | 32% | 0.322 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 151.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | K201 L262 I288 T289 | A199-K201 PolarHBondContact O-N 3.12Å; A199-L262 CarbonylContact C-O 3.51Å; A199-L262 WeakPolarHBondContact CA-O 3.17Å; A199-I288 CarbonylContact O-C 3.53Å; A199-I288 VanDerWaalsContact O-CA 3.27Å; A199-I288 WeakPolarHBondContact O-CA 3.13Å; A199-I288 WeakPolarHBondContact O-CB 3.43Å; A199-T289 PolarHBondContact N-O 3.26Å; A199-T289 PolarHBondContact O-N 3.45Å; A199-T289 PolarHBondContact O-OG1 3.28Å |
| 200 | K | 92.4 | Very high | 71.3 | Confident | 126 Ų | 126 | 106.2 Ų | 106.2 | 55% | 0.548 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 131.3 | 172.5 | -176.7 | 178.3 | 179.7 | -179.8 | 0 | 109.9 | S202 L262 | K200-S202 PolarHBondContact O-N 3.32Å; K200-S202 VanDerWaalsContact O-N 3.14Å; K200-L262 HydrophobicContact CB-CD2 4.27Å; K200-L262 HydrophobicContact CG-CD2 4.3Å; K200-L262 PolarHBondContact N-O 3.28Å |
| 201 | K | 87.5 | Confident | 68.4 | Low | 104 Ų | 104 | 106.3 Ų | 106.3 | 45% | 0.452 | 53% | 0.533 | S | S | . | . | trans | -68.1 | 115.1 | 175.8 | -162.5 | 171.5 | -169.1 | 173.1 | 0 | 109 | A199 G286 V287 T289 | A199-K201 PolarHBondContact O-N 3.12Å; K201-G286 WeakPolarHBondContact CB-O 3.28Å; K201-G286 VanDerWaalsContact CD-O 3.23Å; K201-G286 WeakPolarHBondContact CD-O 3.06Å; K201-V287 PolarHBondContact N-O 2.98Å; K201-T289 HydrophobicContact CB-CG2 4.2Å; K201-T289 HydrophobicContact CD-CG2 4.44Å; K201-T289 HydrophobicContact CG-CG2 3.91Å | ||
| 202 | S | 76.5 | Confident | 65.3 | Low | 103 Ų | 103 | 104.9 Ų | 104.9 | 72% | 0.72 | 54% | 0.541 | S | S | * | . | trans | -65.9 | 137.8 | 172 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | K200 R204 | K200-S202 PolarHBondContact O-N 3.32Å; K200-S202 VanDerWaalsContact O-N 3.14Å; S202-R204 PolarHBondContact O-N 2.95Å | ||
| 203 | K | 61.4 | Low | 61.9 | Low | 192 Ų | 192 | 106.4 Ų | 106.4 | 84% | 0.835 | 57% | 0.573 | S | S | * | * | trans | -60.9 | 111.2 | 168.4 | -77.5 | -175.3 | 179.8 | 179.4 | 0 | 106 | G205 | K203-G205 PolarHBondContact O-N 3.2Š| ||
| 204 | R | 46.4 | Very low | 58.7 | Low | 244 Ų | 244 | 106.4 Ų | 106.4 | 92% | 0.921 | 59% | 0.593 | S | S | * | * | trans | -56.9 | 107.9 | 172.3 | -158.1 | 175.5 | -172.1 | 180 | 0.8 | 106.1 | S202 K206 | S202-R204 PolarHBondContact O-N 2.95Å; R204-K206 PolarHBondContact O-N 3.29Å | ||
| 205 | G | 36.6 | Very low | 55.4 | Low | 59 Ų | 59 | 113.9 Ų | 113.9 | 61% | 0.608 | 63% | 0.632 | S | S | * | * | trans | -54.9 | 127.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | K203 K207 | K203-G205 PolarHBondContact O-N 3.2Å; G205-K207 VanDerWaalsContact C-N 3.3Å; G205-K207 PolarHBondContact O-N 3.12Å | ||
| 206 | K | 30.1 | Very low | 52.2 | Low | 205 Ų | 205 | 119.6 Ų | 119.6 | 89% | 0.891 | 66% | 0.66 | S | S | * | * | trans | -52.6 | 107 | 160.3 | -94.5 | -179.3 | 171.9 | -179 | 0 | 104.9 | R204 V208 | R204-K206 PolarHBondContact O-N 3.29Å; K206-V208 VanDerWaalsContact C-N 3.29Å; K206-V208 PolarHBondContact O-N 2.99Å | ||
| 207 | K | 28.1 | Very low | 49.1 | Very low | 190 Ų | 190 | 123.8 Ų | 123.8 | 83% | 0.826 | 69% | 0.688 | S | S | * | * | trans | -60.3 | 107.7 | 156.2 | -89.5 | -172.9 | 171.7 | -172.1 | 0 | 103.8 | G205 E209 | G205-K207 VanDerWaalsContact C-N 3.3Å; G205-K207 PolarHBondContact O-N 3.12Å; K207-E209 PolarHBondContact O-N 3.26Å | ||
| 208 | V | 29 | Very low | 45.8 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | trans | -62.3 | 97.5 | 159 | 175.4 | 0 | 0 | 0 | 0 | 104 | K206 Q210 | K206-V208 VanDerWaalsContact C-N 3.29Å; K206-V208 PolarHBondContact O-N 2.99Å; V208-Q210 PolarHBondContact O-N 2.8Å; V208-Q210 VanDerWaalsContact O-N 3.14Å | ||
| 209 | E | 28.9 | Very low | 42.5 | Very low | 165 Ų | 165 | 134 Ų | 134 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | trans | -66.7 | 106.6 | 161.3 | -78.8 | 179.3 | 171.5 | 0 | 0 | 105.8 | K207 S211 | K207-E209 PolarHBondContact O-N 3.26Å; E209-S211 PolarHBondContact O-N 2.95Å | ||
| 210 | Q | 25.5 | Very low | 39.3 | Very low | 187 Ų | 187 | 140.7 Ų | 140.7 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -66.7 | 88.6 | 156.5 | -74.9 | 175.8 | -15.6 | 0 | 0 | 106.6 | V208 | V208-Q210 PolarHBondContact O-N 2.8Å; V208-Q210 VanDerWaalsContact O-N 3.14Å | ||
| 211 | S | 30.1 | Very low | 36.1 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -89.8 | 102.6 | 161.1 | 43.4 | 0 | 0 | 0 | 0 | 108.2 | E209 | E209-S211 PolarHBondContact O-N 2.95Š| ||
| 212 | S | 28.8 | Very low | 33.3 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -54.8 | 124.9 | 163.7 | 44.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 213 | G | 24.9 | Very low | 30.8 | Very low | 85 Ų | 85 | 142.9 Ų | 142.9 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | 48.8 | 110 | 137.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 214 | G | 26.1 | Very low | 29.3 | Very low | 81 Ų | 81 | 142.9 Ų | 142.9 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -177.8 | 92.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 215 | N | 27.5 | Very low | 28.4 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -65.6 | 140.6 | 171.7 | -89.1 | -18 | 0 | 0 | 0 | 112.1 | ||||
| 216 | L | 30.1 | Very low | 27.8 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | 178.8 | 159 | 113.5 | -94.2 | 141 | 0 | 0 | 0 | 111.8 | |||||
| 217 | P | 31.8 | Very low | 27.7 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 62% | 0.623 | 79% | 0.793 | S | S | * | * | trans | -117.5 | -176.3 | -146.4 | 44.4 | -36.6 | 0 | 0 | 0 | 116.1 | ||||
| 218 | N | 28.3 | Very low | 27.7 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | 69 | 141.8 | 170 | -70.7 | -5 | 0 | 0 | 0 | 115.1 | ||||
| 219 | S | 28 | Very low | 27.6 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | cis | -162.9 | 159.6 | 12 | 51.7 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 220 | M | 28.2 | Very low | 27.5 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | -168.3 | 137.5 | 53 | -115 | 174 | -143.9 | 0 | 0 | 107 | |||||
| 221 | S | 23.9 | Very low | 27.7 | Very low | 92 Ų | 92 | 133.3 Ų | 133.3 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -76.4 | 149.1 | 165.6 | 40 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 222 | I | 29.5 | Very low | 27.7 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -131 | 104.1 | 147.5 | -65.1 | 179.5 | 0 | 0 | 0 | 105.3 | F224 | I222-F224 HydrophobicContact CG2-CD2 4.01Å; I222-F224 HydrophobicContact CG2-CE2 4.28Å | ||
| 223 | D | 24 | Very low | 27.8 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -87.4 | 143.9 | 162.4 | -68.5 | -50.3 | 0 | 0 | 0 | 108.3 | ||||
| 224 | F | 28.7 | Very low | 27.9 | Very low | 192 Ų | 192 | 140 Ų | 140 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -135.8 | 96 | 154.9 | -96.5 | -78.6 | 0 | 0 | 0 | 107.7 | I222 | I222-F224 HydrophobicContact CG2-CD2 4.01Å; I222-F224 HydrophobicContact CG2-CE2 4.28Å | ||
| 225 | D | 27.8 | Very low | 27.9 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | 32.9 | 123 | 144.9 | -61.2 | -26 | 0 | 0 | 0 | 121.8 | ||||
| 226 | E | 24 | Very low | 28.1 | Very low | 182 Ų | 182 | 141.7 Ų | 141.7 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | -86.8 | 148 | 151.7 | -68.8 | 179.8 | 149.6 | 0 | 0 | 110.7 | ||||
| 227 | N | 27.6 | Very low | 27.9 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | 162.2 | 140.7 | 146.3 | -91.2 | 3.3 | 0 | 0 | 0 | 107.8 | ||||
| 228 | E | 28.9 | Very low | 27.6 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | cis | -171 | 147.1 | 23.6 | -112.4 | 161.4 | -151.5 | 0 | 0 | 108.7 | ||||
| 229 | N | 27.9 | Very low | 27.6 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | 55.7 | 149.4 | 140.7 | -56 | -26.7 | 0 | 0 | 0 | 121.1 | ||||
| 230 | A | 26.6 | Very low | 27.5 | Very low | 74 Ų | 74 | 146.8 Ų | 146.8 | 61% | 0.612 | 79% | 0.787 | S | S | * | * | cis | -173.2 | 172.3 | -15.3 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 231 | D | 29.6 | Very low | 27.4 | Very low | 146 Ų | 146 | 143 Ų | 143 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | 90 | 88.4 | 161.2 | -49 | -22.8 | 0 | 0 | 0 | 118.4 | ||||
| 232 | D | 30.5 | Very low | 27.7 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | -174.1 | 127.1 | 99.1 | -88.7 | -28.6 | 0 | 0 | 0 | 112.1 | |||||
| 233 | A | 29.3 | Very low | 27.7 | Very low | 93 Ų | 93 | 143.7 Ų | 143.7 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -71.2 | 164.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 234 | E | 28.5 | Very low | 28.1 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | cis | -174.2 | 151.2 | 33.8 | -150.6 | 174.7 | -151.4 | 0 | 0 | 110.3 | ||||
| 235 | C | 25.5 | Very low | 28.3 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 69.9 | 123.1 | 157 | -117.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 236 | I | 32.3 | Very low | 28.8 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | cis | -156.8 | 144.3 | 48.1 | -72.7 | 169.5 | 0 | 0 | 0 | 110.2 | ||||
| 237 | Q | 25.5 | Very low | 29.7 | Very low | 174 Ų | 174 | 133.2 Ų | 133.2 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | trans | -61.6 | 161.5 | -178.6 | -64.2 | 172.1 | -24.5 | 0 | 0 | 116 | ||||
| 238 | N | 25 | Very low | 30.7 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | trans | 94.1 | 95 | 166.5 | -67 | -28 | 0 | 0 | 0 | 118.6 | ||||
| 239 | S | 27.7 | Very low | 31.6 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | -175.9 | 72.2 | 135.1 | 42.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 240 | H | 26.2 | Very low | 33.2 | Very low | 205 Ų | 205 | 124.3 Ų | 124.3 | 95% | 0.949 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -99.9 | 72.5 | 155.4 | -84.9 | -61.6 | 0 | 0 | 0 | 110.3 | ||
| 241 | S | 26.5 | Very low | 34.9 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -160.3 | 0.1 | 166.4 | 61.2 | 0 | 0 | 0 | 0 | 116.7 | ||
| 242 | S | 29.6 | Very low | 36.8 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 60% | 0.601 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -4.4 | -170.8 | -75.3 | 0 | 0 | 0 | 0 | 117.5 | ||
| 243 | M | 30.7 | Very low | 39 | Very low | 173 Ų | 173 | 123.4 Ų | 123.4 | 85% | 0.852 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -14.5 | -175.7 | -93.1 | 148.9 | 156.7 | 0 | 0 | 115.6 | ||
| 244 | N | 31.4 | Very low | 41.4 | Very low | 132 Ų | 132 | 120 Ų | 120 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -17.6 | 177.8 | -88.5 | -18.9 | 0 | 0 | 0 | 114.4 | ||
| 245 | N | 32.5 | Very low | 44 | Very low | 111 Ų | 111 | 114.2 Ų | 114.2 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -84.6 | -29.8 | -174.4 | -125.8 | -1.4 | 0 | 0 | 0 | 113.3 | N248 N249 | N245-N248 PolarHBondContact O-N 3.11Å; N245-N249 PolarHBondContact O-N 3.25Å |
| 246 | T | 40.1 | Very low | 46.8 | Very low | 94 Ų | 94 | 114 Ų | 114 | 58% | 0.577 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.1 | -39.3 | 177.5 | 42.7 | 0 | 0 | 0 | 0 | 112.5 | N248 N249 S250 | T246-N248 VanDerWaalsContact C-N 3.34Å; T246-N248 PolarHBondContact O-N 3.37Å; T246-N249 PolarHBondContact O-N 3.44Å; T246-S250 PolarHBondContact O-N 2.62Å; T246-S250 VanDerWaalsContact O-N 3.13Å; T246-S250 PolarHBondContact O-OG 2.95Å |
| 247 | N | 42.8 | Very low | 49.2 | Very low | 98 Ų | 98 | 110.7 Ų | 110.7 | 52% | 0.524 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71 | -24.5 | 178.2 | -92.2 | -18.5 | 0 | 0 | 0 | 114.3 | S250 K251 | N247-S250 PolarHBondContact O-OG 3.16Å; N247-K251 WeakPolarHBondContact O-CG 3.24Å |
| 248 | N | 47 | Very low | 52.3 | Low | 96 Ų | 96 | 102.6 Ų | 102.6 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -82.1 | -35.5 | 175.9 | -83 | -22.2 | 0 | 0 | 0 | 112 | N245 T246 K252 | N245-N248 PolarHBondContact O-N 3.11Å; T246-N248 VanDerWaalsContact C-N 3.34Å; T246-N248 PolarHBondContact O-N 3.37Å; N248-K252 PolarHBondContact O-N 3.37Å |
| 249 | N | 49.3 | Very low | 55.4 | Low | 90 Ų | 90 | 102.4 Ų | 102.4 | 48% | 0.481 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.5 | -46.2 | 175.5 | -81 | -5.2 | 0 | 0 | 0 | 111.8 | N245 T246 K251 K252 D253 | N245-N249 PolarHBondContact O-N 3.25Å; T246-N249 PolarHBondContact O-N 3.44Å; N249-K251 VanDerWaalsContact C-N 3.28Å; N249-K251 PolarHBondContact O-N 3.16Å; N249-K252 WeakPolarHBondContact O-CB 3.19Å; N249-K252 PolarHBondContact O-N 3.47Å; N249-D253 PolarHBondContact O-N 2.93Å |
| 250 | S | 60.3 | Low | 58.5 | Low | 52 Ų | 52 | 103.7 Ų | 103.7 | 36% | 0.364 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58 | -40.1 | 178.1 | 62.5 | 0 | 0 | 0 | 0 | 112.8 | T246 N247 D253 D254 | T246-S250 PolarHBondContact O-N 2.62Å; T246-S250 VanDerWaalsContact O-N 3.13Å; T246-S250 PolarHBondContact O-OG 2.95Å; N247-S250 PolarHBondContact O-OG 3.16Å; S250-D253 PolarHBondContact O-N 3.45Å; S250-D254 PolarHBondContact O-N 2.99Å |
| 251 | K | 63.3 | Low | 61.7 | Low | 125 Ų | 125 | 95.1 Ų | 95.1 | 54% | 0.543 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.4 | -32.9 | 176.5 | -74.6 | 179.1 | -177.4 | 170.3 | 0 | 113.5 | N247 N249 L255 | N247-K251 WeakPolarHBondContact O-CG 3.24Å; N249-K251 VanDerWaalsContact C-N 3.28Å; N249-K251 PolarHBondContact O-N 3.16Å; K251-L255 WeakPolarHBondContact O-CG 3.46Å; K251-L255 PolarHBondContact O-N 2.96Å |
| 252 | K | 68.7 | Low | 64.8 | Low | 143 Ų | 143 | 92 Ų | 92 | 62% | 0.622 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.3 | -44.1 | 172.5 | -85.5 | -176.8 | 177.5 | 175.9 | 0 | 110.6 | N248 N249 D254 L255 V256 | N248-K252 PolarHBondContact O-N 3.37Å; N249-K252 WeakPolarHBondContact O-CB 3.19Å; N249-K252 PolarHBondContact O-N 3.47Å; K252-D254 VanDerWaalsContact C-N 3.32Å; K252-D254 PolarHBondContact O-N 2.89Å; K252-L255 PolarHBondContact O-N 3.26Å; K252-V256 WeakPolarHBondContact O-CG2 3.47Å; K252-V256 PolarHBondContact O-N 3.23Å; K252-V256 VanDerWaalsContact O-N 3.08Å |
| 253 | D | 76.6 | Confident | 67.9 | Low | 103 Ų | 103 | 94.6 Ų | 94.6 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.9 | -39.6 | 179 | -65.8 | -18.2 | 0 | 0 | 0 | 111.6 | N249 S250 V256 T257 | N249-D253 PolarHBondContact O-N 2.93Å; S250-D253 PolarHBondContact O-N 3.45Å; D253-V256 PolarHBondContact O-N 2.66Å; D253-T257 WeakPolarHBondContact O-CB 3.48Å; D253-T257 PolarHBondContact O-N 3.04Å; D253-T257 PolarHBondContact O-OG1 2.78Å |
| 254 | D | 81 | Confident | 70.9 | Confident | 22 Ų | 22 | 87.7 Ų | 87.7 | 12% | 0.118 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 173.8 | -83.5 | -18.3 | 0 | 0 | 0 | 112.1 | S250 K252 V256 T257 F258 R285 V287 | S250-D254 PolarHBondContact O-N 2.99Å; K252-D254 VanDerWaalsContact C-N 3.32Å; K252-D254 PolarHBondContact O-N 2.89Å; D254-V256 VanDerWaalsContact C-N 3.3Å; D254-V256 PolarHBondContact O-N 3.38Å; D254-T257 PolarHBondContact O-N 3.3Å; D254-F258 HydrophobicContact CB-CD2 4.29Å; D254-F258 HydrophobicContact CB-CE2 4.32Å; D254-F258 WeakPolarHBondContact O-CD2 3.37Å; D254-F258 PolarHBondContact O-N 3.31Å; D254-R285 IonicContact OD1-CZ 3.73Å; D254-R285 IonicContact OD1-NH1 3.5Å; D254-R285 PolarHBondContact OD1-NH1 2.87Å; D254-V287 HydrophobicContact CB-CG2 3.88Å |
| 255 | L | 81.9 | Confident | 74 | Confident | 61 Ų | 61 | 85 Ų | 85 | 32% | 0.319 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.8 | -36 | 177.2 | -74.7 | 171.4 | 0 | 0 | 0 | 112.6 | K251 K252 K259 L262 V287 | K251-L255 WeakPolarHBondContact O-CG 3.46Å; K251-L255 PolarHBondContact O-N 2.96Å; K252-L255 PolarHBondContact O-N 3.26Å; L255-K259 WeakPolarHBondContact O-CA 3.23Å; L255-K259 PolarHBondContact O-N 3.37Å; L255-K259 VanDerWaalsContact O-N 3.17Å; L255-L262 HydrophobicContact CD2-CD2 4.01Å; L255-V287 HydrophobicContact CD2-CG1 3.97Å |
| 256 | V | 83.6 | Confident | 77.1 | Confident | 113 Ų | 113 | 84 Ų | 84 | 69% | 0.685 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68.7 | -44.8 | 174.6 | 175 | 0 | 0 | 0 | 0 | 110.1 | K252 D253 D254 F258 K259 | K252-V256 WeakPolarHBondContact O-CG2 3.47Å; K252-V256 PolarHBondContact O-N 3.23Å; K252-V256 VanDerWaalsContact O-N 3.08Å; D253-V256 PolarHBondContact O-N 2.66Å; D254-V256 VanDerWaalsContact C-N 3.3Å; D254-V256 PolarHBondContact O-N 3.38Å; V256-F258 PolarHBondContact O-N 3.5Å; V256-K259 PolarHBondContact O-N 3.34Å |
| 257 | T | 84 | Confident | 79.7 | Confident | 89 Ų | 89 | 82.4 Ų | 82.4 | 55% | 0.546 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | -178.3 | -58.3 | 0 | 0 | 0 | 0 | 112 | D253 D254 | D253-T257 WeakPolarHBondContact O-CB 3.48Å; D253-T257 PolarHBondContact O-N 3.04Å; D253-T257 PolarHBondContact O-OG1 2.78Å; D254-T257 PolarHBondContact O-N 3.3Å |
| 258 | F | 90.3 | Very high | 82.3 | Confident | 4 Ų | 4 | 79 Ų | 79 | 2% | 0.018 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 17.9 | -175.7 | -54.6 | -64.7 | 0 | 0 | 0 | 113.8 | D254 V256 N260 Y261 R281 A282 V287 | D254-F258 HydrophobicContact CB-CD2 4.29Å; D254-F258 HydrophobicContact CB-CE2 4.32Å; D254-F258 WeakPolarHBondContact O-CD2 3.37Å; D254-F258 PolarHBondContact O-N 3.31Å; V256-F258 PolarHBondContact O-N 3.5Å; F258-N260 PolarHBondContact O-N 3.14Å; F258-N260 VanDerWaalsContact O-N 3.09Å; F258-Y261 HydrophobicContact CB-CD2 4.49Å; F258-Y261 HydrophobicContact CD1-CD2 4.45Å; F258-Y261 PolarHBondContact O-N 3.38Å; F258-R281 HydrophobicContact CE1-CB 4.44Å; F258-R281 HydrophobicContact CE1-CG 4.39Å; F258-R281 HydrophobicContact CZ-CB 4.47Å; F258-R281 HydrophobicContact CZ-CG 4.01Å; F258-A282 HydrophobicContact CB-CB 4.04Å; F258-A282 HydrophobicContact CD1-CB 3.63Å; F258-A282 HydrophobicContact CD2-CB 3.95Å; F258-A282 HydrophobicContact CE1-CB 4.01Å; F258-A282 HydrophobicContact CE2-CB 4.34Å; F258-A282 HydrophobicContact CG-CB 3.59Å; F258-A282 HydrophobicContact CZ-CB 4.35Å; F258-V287 HydrophobicContact CB-CG1 4.43Å; F258-V287 HydrophobicContact CD2-CB 4.45Å; F258-V287 HydrophobicContact CD2-CG1 4.43Å; F258-V287 HydrophobicContact CD2-CG2 4.04Å; F258-V287 HydrophobicContact CE2-CG2 4.44Å |
| 259 | K | 90.4 | Very high | 84.5 | Confident | 150 Ų | 150 | 78.5 Ų | 78.5 | 65% | 0.652 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -49.4 | -41.1 | -177.2 | -176.7 | -178.5 | 176.4 | -176.3 | 0 | 112.9 | L255 V256 Y261 L262 | L255-K259 WeakPolarHBondContact O-CA 3.23Å; L255-K259 PolarHBondContact O-N 3.37Å; L255-K259 VanDerWaalsContact O-N 3.17Å; V256-K259 PolarHBondContact O-N 3.34Å; K259-Y261 PolarHBondContact O-N 3.02Å; K259-Y261 VanDerWaalsContact O-N 3.16Å; K259-L262 PolarHBondContact O-N 2.93Å |
| 260 | N | 91.9 | Very high | 86.6 | Confident | 128 Ų | 128 | 75.8 Ų | 75.8 | 68% | 0.684 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -67.3 | -13.3 | -177.9 | -66.1 | -12.1 | 0 | 0 | 0 | 113.9 | F258 | F258-N260 PolarHBondContact O-N 3.14Å; F258-N260 VanDerWaalsContact O-N 3.09Å |
| 261 | Y | 94.6 | Very high | 88.2 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 10% | 0.098 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -114 | 9.1 | -175.3 | -52.6 | -66.7 | 0 | 0 | 0 | 113.3 | T198 F258 K259 F264 Q275 A278 I279 | T198-Y261 WeakPolarHBondContact CB-O 3.26Å; T198-Y261 PolarHBondContact OG1-O 2.89Å; F258-Y261 HydrophobicContact CB-CD2 4.49Å; F258-Y261 HydrophobicContact CD1-CD2 4.45Å; F258-Y261 PolarHBondContact O-N 3.38Å; K259-Y261 PolarHBondContact O-N 3.02Å; K259-Y261 VanDerWaalsContact O-N 3.16Å; Y261-F264 HydrophobicContact CD1-CD2 4.22Å; Y261-F264 HydrophobicContact CD1-CG 4.26Å; Y261-F264 HydrophobicContact CE1-CE2 4.47Å; Y261-Q275 HydrophobicContact CE1-CB 4.17Å; Y261-Q275 HydrophobicContact CE1-CG 4.25Å; Y261-A278 HydrophobicContact CD2-CB 4.32Å; Y261-A278 HydrophobicContact CE2-CB 3.54Å; Y261-I279 HydrophobicContact CD1-CD1 3.98Å; Y261-I279 HydrophobicContact CD1-CG1 3.62Å; Y261-I279 HydrophobicContact CE1-CD1 4.28Å; Y261-I279 HydrophobicContact CE1-CG1 4.08Å; Y261-I279 HydrophobicContact CG-CG1 3.97Å |
| 262 | L | 91.7 | Very high | 89.6 | Confident | 36 Ų | 36 | 72.3 Ų | 72.3 | 19% | 0.188 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -33.9 | -179.2 | -69.2 | 175.5 | 0 | 0 | 0 | 113.4 | A199 K200 L255 K259 V287 I288 | A199-L262 CarbonylContact C-O 3.51Å; A199-L262 WeakPolarHBondContact CA-O 3.17Å; K200-L262 HydrophobicContact CB-CD2 4.27Å; K200-L262 HydrophobicContact CG-CD2 4.3Å; K200-L262 PolarHBondContact N-O 3.28Å; L255-L262 HydrophobicContact CD2-CD2 4.01Å; K259-L262 PolarHBondContact O-N 2.93Å; L262-V287 HydrophobicContact CD2-CG1 4.17Å; L262-I288 HydrophobicContact CD2-CG2 4.1Å |
| 263 | N | 93 | Very high | 90.8 | Very high | 142 Ų | 142 | 66.7 Ų | 66.7 | 76% | 0.759 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.5 | 63.3 | 176.6 | -69.7 | -35.5 | 0 | 0 | 0 | 108.8 | T198 | T198-N263 WeakPolarHBondContact O-CA 3.44Š|
| 264 | F | 95.5 | Very high | 91.4 | Very high | 27 Ų | 27 | 63 Ų | 63 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | trans | -102.1 | 139.7 | -174.1 | 174.8 | -89.8 | 0 | 0 | 0 | 110.4 | L196 V197 T198 Y261 R266 I271 I279 | L196-F264 HydrophobicContact CD2-CD1 4.22Å; L196-F264 HydrophobicContact CD2-CE1 4.31Å; V197-F264 CarbonylContact C-O 3.58Å; V197-F264 WeakPolarHBondContact CA-O 3.34Å; T198-F264 HydrophobicContact CG2-CD1 4.49Å; T198-F264 PolarHBondContact N-O 2.87Å; T198-F264 PolarHBondContact O-N 2.51Å; T198-F264 VanDerWaalsContact OG1-CB 3.3Å; T198-F264 WeakPolarHBondContact OG1-CB 3.46Å; T198-F264 PolarHBondContact OG1-N 2.98Å; T198-F264 VanDerWaalsContact OG1-N 3.07Å; Y261-F264 HydrophobicContact CD1-CD2 4.22Å; Y261-F264 HydrophobicContact CD1-CG 4.26Å; Y261-F264 HydrophobicContact CE1-CE2 4.47Å; F264-R266 HydrophobicContact CE1-CB 4.01Å; F264-R266 HydrophobicContact CE1-CG 3.88Å; F264-R266 HydrophobicContact CE2-CG 4.01Å; F264-R266 HydrophobicContact CZ-CB 4.12Å; F264-R266 HydrophobicContact CZ-CG 3.54Å; F264-I271 HydrophobicContact CE1-CD1 3.99Å; F264-I271 HydrophobicContact CE1-CG1 4.37Å; F264-I271 HydrophobicContact CZ-CG1 4.46Å; F264-I279 HydrophobicContact CD1-CD1 4.01Å; F264-I279 HydrophobicContact CE1-CD1 3.85Å | ||
| 265 | S | 96.3 | Very high | 92.1 | Very high | 75 Ų | 75 | 63 Ų | 63 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 127.2 | 176.8 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | L196 | L196-S265 VanDerWaalsContact O-CA 3.32Å; L196-S265 WeakPolarHBondContact O-CA 3.39Å |
| 266 | R | 96 | Very high | 92.8 | Very high | 91 Ų | 91 | 60.5 Ų | 60.5 | 34% | 0.343 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 149.3 | 175.4 | -76.4 | -169.8 | 77.9 | 129.1 | -13.9 | 112.4 | L196 F264 S270 | L196-R266 PolarHBondContact N-O 3.12Å; L196-R266 PolarHBondContact O-N 3.02Å; F264-R266 HydrophobicContact CE1-CB 4.01Å; F264-R266 HydrophobicContact CE1-CG 3.88Å; F264-R266 HydrophobicContact CE2-CG 4.01Å; F264-R266 HydrophobicContact CZ-CB 4.12Å; F264-R266 HydrophobicContact CZ-CG 3.54Å; R266-S270 PolarHBondContact NE-O 3.34Å; R266-S270 PolarHBondContact NE-OG 3.14Å; R266-S270 VanDerWaalsContact NE-OG 3.11Å; R266-S270 PolarHBondContact NH2-O 2.89Å |
| 267 | P | 96.5 | Very high | 93.3 | Very high | 61 Ų | 61 | 55.2 Ų | 55.2 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 137.4 | 163.9 | -22.2 | 32.5 | 0 | 0 | 0 | 111 | I193 S269 S270 I271 | I193-P267 HydrophobicContact CG2-CB 4.03Å; P267-S269 VanDerWaalsContact C-N 3.25Å; P267-S269 PolarHBondContact O-N 3.43Å; P267-S270 WeakPolarHBondContact CD-OG 3.44Å; P267-S270 PolarHBondContact O-N 3.08Å; P267-S270 PolarHBondContact O-OG 3.18Å; P267-I271 PolarHBondContact O-N 2.88Å |
| 268 | V | 96.2 | Very high | 93.8 | Very high | 26 Ų | 26 | 51.2 Ų | 51.2 | 16% | 0.158 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -56 | -37.3 | -178.9 | 161.2 | 0 | 0 | 0 | 0 | 112.2 | I193 A194 L196 S270 I271 I292 I342 L346 | I193-V268 HydrophobicContact CG2-CB 4.38Å; A194-V268 HydrophobicContact CB-CG2 4.05Å; A194-V268 WeakPolarHBondContact O-CB 3.49Å; A194-V268 VanDerWaalsContact O-CG2 3.31Å; A194-V268 WeakPolarHBondContact O-CG2 3.37Å; A194-V268 PolarHBondContact O-N 2.86Å; L196-V268 HydrophobicContact CB-CG2 4.35Å; V268-S270 PolarHBondContact O-N 3.37Å; V268-I271 VanDerWaalsContact O-CG2 3.3Å; V268-I271 WeakPolarHBondContact O-CG2 3.35Å; V268-I292 HydrophobicContact CG2-CG2 4.48Å; V268-I342 HydrophobicContact CG1-CG2 3.84Å; V268-I342 HydrophobicContact CG2-CG2 4.12Å; V268-L346 HydrophobicContact CG1-CD1 4Å; V268-L346 HydrophobicContact CG1-CD2 4.03Å; V268-L346 HydrophobicContact CG1-CG 4.15Å; V268-L346 HydrophobicContact CG2-CD1 4.29Å |
| 269 | S | 92.9 | Very high | 94.1 | Very high | 85 Ų | 85 | 51.1 Ų | 51.1 | 59% | 0.594 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -65.9 | -21.3 | 177.2 | 60.9 | 0 | 0 | 0 | 0 | 114.2 | I193 P267 | I193-S269 WeakPolarHBondContact CD1-OG 3.37Å; P267-S269 VanDerWaalsContact C-N 3.25Å; P267-S269 PolarHBondContact O-N 3.43Å |
| 270 | S | 93.3 | Very high | 94.4 | Very high | 34 Ų | 34 | 44.9 Ų | 44.9 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -102.3 | -6.2 | -172.3 | 78.6 | 0 | 0 | 0 | 0 | 113.4 | R266 P267 V268 | R266-S270 PolarHBondContact NE-O 3.34Å; R266-S270 PolarHBondContact NE-OG 3.14Å; R266-S270 VanDerWaalsContact NE-OG 3.11Å; R266-S270 PolarHBondContact NH2-O 2.89Å; P267-S270 WeakPolarHBondContact CD-OG 3.44Å; P267-S270 PolarHBondContact O-N 3.08Å; P267-S270 PolarHBondContact O-OG 3.18Å; V268-S270 PolarHBondContact O-N 3.37Å |
| 271 | I | 94.5 | Very high | 94.5 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.087 | 23% | 0.229 | C | C | . | . | trans | -77.8 | 134.9 | -176.9 | -159 | 169.7 | 0 | 0 | 0 | 109.9 | L196 F264 P267 V268 Q275 V276 I279 L346 | L196-I271 HydrophobicContact CD1-CD1 3.98Å; L196-I271 HydrophobicContact CD2-CD1 4.04Å; L196-I271 HydrophobicContact CG-CD1 4.44Å; F264-I271 HydrophobicContact CE1-CD1 3.99Å; F264-I271 HydrophobicContact CE1-CG1 4.37Å; F264-I271 HydrophobicContact CZ-CG1 4.46Å; P267-I271 PolarHBondContact O-N 2.88Å; V268-I271 VanDerWaalsContact O-CG2 3.3Å; V268-I271 WeakPolarHBondContact O-CG2 3.35Å; I271-Q275 HydrophobicContact CG1-CB 4Å; I271-V276 HydrophobicContact CD1-CG2 4.08Å; I271-V276 HydrophobicContact CG1-CG2 4.11Å; I271-V276 HydrophobicContact CG2-CG2 3.72Å; I271-I279 HydrophobicContact CD1-CD1 3.84Å; I271-L346 HydrophobicContact CG2-CD1 4.42Å; I271-L346 HydrophobicContact CG2-CD2 3.65Å | ||
| 272 | L | 93.1 | Very high | 94.5 | Very high | 87 Ų | 87 | 40.2 Ų | 40.2 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | trans | -86.7 | 149 | -177 | -56.6 | 175.4 | 0 | 0 | 0 | 110.7 | H274 Q275 V276 | L272-H274 VanDerWaalsContact C-N 3.32Å; L272-H274 VanDerWaalsContact CD1-CE1 3.41Å; L272-H274 WeakPolarHBondContact CD1-CE1 3.49Å; L272-H274 PolarHBondContact O-N 3Å; L272-Q275 HydrophobicContact CB-CG 4.09Å; L272-Q275 WeakPolarHBondContact O-CA 3.47Å; L272-Q275 VanDerWaalsContact O-CB 3.31Å; L272-Q275 WeakPolarHBondContact O-CB 3.29Å; L272-Q275 PolarHBondContact O-N 3.42Å; L272-V276 PolarHBondContact O-N 3.28Å; L272-V276 VanDerWaalsContact O-N 3.07Å | ||
| 273 | A | 92.6 | Very high | 94.6 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 20% | 0.198 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -49.2 | -49.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q275 V276 L277 A350 A353 | A273-Q275 VanDerWaalsContact C-N 3.26Å; A273-Q275 PolarHBondContact O-N 3.43Å; A273-V276 WeakPolarHBondContact O-CB 3.28Å; A273-V276 PolarHBondContact O-N 3.46Å; A273-V276 VanDerWaalsContact O-N 3.16Å; A273-L277 PolarHBondContact O-N 3.47Å; A273-L277 VanDerWaalsContact O-N 3.09Å; A273-A350 HydrophobicContact CB-CB 4.01Å; A273-A350 WeakPolarHBondContact O-CB 3.37Å; A273-A353 HydrophobicContact CB-CB 4Å |
| 274 | H | 90.9 | Very high | 94.6 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 12% | 0.12 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.5 | -30 | 178.1 | 67 | -92.5 | 0 | 0 | 0 | 113.7 | L272 A278 Y562 F840 | L272-H274 VanDerWaalsContact C-N 3.32Å; L272-H274 VanDerWaalsContact CD1-CE1 3.41Å; L272-H274 WeakPolarHBondContact CD1-CE1 3.49Å; L272-H274 PolarHBondContact O-N 3Å; H274-A278 VanDerWaalsContact O-CB 3.31Å; H274-A278 WeakPolarHBondContact O-CB 3.44Å; H274-A278 PolarHBondContact O-N 2.75Å; H274-Y562 HydrophobicContact CB-CD2 4.44Å; H274-Y562 HydrophobicContact CB-CE2 3.46Å; H274-Y562 VanDerWaalsContact CB-CE2 3.46Å; H274-Y562 PolarHBondContact O-OH 2.7Å; H274-F840 HydrophobicContact CB-CD1 3.91Å; H274-F840 HydrophobicContact CB-CE1 4.32Å; H274-F840 AromaticContact CG-CD1 3.67Å; H274-F840 AromaticContact ND1-CD1 3.78Å |
| 275 | Q | 94.7 | Very high | 94.4 | Very high | 23 Ų | 23 | 47.3 Ų | 47.3 | 11% | 0.107 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.5 | -41.3 | 176.1 | -63.3 | 176 | -33.6 | 0 | 0 | 110.2 | Y261 I271 L272 A273 L277 A278 I279 | Y261-Q275 HydrophobicContact CE1-CB 4.17Å; Y261-Q275 HydrophobicContact CE1-CG 4.25Å; I271-Q275 HydrophobicContact CG1-CB 4Å; L272-Q275 HydrophobicContact CB-CG 4.09Å; L272-Q275 WeakPolarHBondContact O-CA 3.47Å; L272-Q275 VanDerWaalsContact O-CB 3.31Å; L272-Q275 WeakPolarHBondContact O-CB 3.29Å; L272-Q275 PolarHBondContact O-N 3.42Å; A273-Q275 VanDerWaalsContact C-N 3.26Å; A273-Q275 PolarHBondContact O-N 3.43Å; Q275-L277 VanDerWaalsContact C-N 3.35Å; Q275-L277 PolarHBondContact O-N 3.21Å; Q275-A278 PolarHBondContact O-N 2.73Å; Q275-I279 VanDerWaalsContact O-CB 3.26Å; Q275-I279 WeakPolarHBondContact O-CB 3.34Å; Q275-I279 WeakPolarHBondContact O-CD1 3.31Å; Q275-I279 WeakPolarHBondContact O-CG1 3.4Å; Q275-I279 PolarHBondContact O-N 3.24Å |
| 276 | V | 96.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.8 | -49.1 | 174.7 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | I271 L272 A273 I279 N280 L346 A350 | I271-V276 HydrophobicContact CD1-CG2 4.08Å; I271-V276 HydrophobicContact CG1-CG2 4.11Å; I271-V276 HydrophobicContact CG2-CG2 3.72Å; L272-V276 PolarHBondContact O-N 3.28Å; L272-V276 VanDerWaalsContact O-N 3.07Å; A273-V276 WeakPolarHBondContact O-CB 3.28Å; A273-V276 PolarHBondContact O-N 3.46Å; A273-V276 VanDerWaalsContact O-N 3.16Å; V276-I279 PolarHBondContact O-N 3.01Å; V276-N280 WeakPolarHBondContact O-CB 3.29Å; V276-N280 PolarHBondContact O-N 3.2Å; V276-L346 HydrophobicContact CG1-CB 4.3Å; V276-L346 HydrophobicContact CG2-CB 4.47Å; V276-L346 HydrophobicContact CG2-CD2 4.41Å; V276-A350 HydrophobicContact CB-CB 3.76Å; V276-A350 HydrophobicContact CG1-CB 3.88Å; V276-A350 HydrophobicContact CG2-CB 4.42Å |
| 277 | L | 95.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 178.7 | -61.9 | 177.2 | 0 | 0 | 0 | 111.9 | A273 Q275 I279 N280 R281 A350 Q351 Y562 D565 | A273-L277 PolarHBondContact O-N 3.47Å; A273-L277 VanDerWaalsContact O-N 3.09Å; Q275-L277 VanDerWaalsContact C-N 3.35Å; Q275-L277 PolarHBondContact O-N 3.21Å; L277-I279 VanDerWaalsContact C-N 3.35Å; L277-I279 PolarHBondContact O-N 2.97Å; L277-N280 PolarHBondContact O-N 3.03Å; L277-R281 WeakPolarHBondContact O-CB 3.48Å; L277-R281 PolarHBondContact O-N 3.33Å; L277-A350 HydrophobicContact CD2-CB 4.07Å; L277-A350 HydrophobicContact CG-CB 4.05Å; L277-Q351 HydrophobicContact CD2-CG 3.92Å; L277-Y562 HydrophobicContact CB-CD1 3.88Å; L277-Y562 HydrophobicContact CB-CE1 4.23Å; L277-Y562 HydrophobicContact CB-CG 4.13Å; L277-Y562 HydrophobicContact CD1-CD1 4.39Å; L277-Y562 HydrophobicContact CD1-CD2 4.02Å; L277-Y562 HydrophobicContact CD1-CG 3.78Å; L277-D565 HydrophobicContact CD2-CB 4.45Å |
| 278 | A | 94.2 | Very high | 94 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y261 H274 Q275 A282 Y562 | Y261-A278 HydrophobicContact CD2-CB 4.32Å; Y261-A278 HydrophobicContact CE2-CB 3.54Å; H274-A278 VanDerWaalsContact O-CB 3.31Å; H274-A278 WeakPolarHBondContact O-CB 3.44Å; H274-A278 PolarHBondContact O-N 2.75Å; Q275-A278 PolarHBondContact O-N 2.73Å; A278-A282 VanDerWaalsContact O-CB 3.31Å; A278-A282 WeakPolarHBondContact O-CB 3.35Å; A278-A282 PolarHBondContact O-N 3.26Å; A278-Y562 HydrophobicContact CB-CE1 4.34Å |
| 279 | I | 96.4 | Very high | 94 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 176.1 | -74 | 165.6 | 0 | 0 | 0 | 110.7 | L196 T198 Y261 F264 I271 Q275 V276 L277 A282 N283 I288 V290 | L196-I279 HydrophobicContact CD2-CD1 4.04Å; T198-I279 HydrophobicContact CG2-CD1 4.3Å; T198-I279 HydrophobicContact CG2-CG1 4.35Å; T198-I279 HydrophobicContact CG2-CG2 4.03Å; Y261-I279 HydrophobicContact CD1-CD1 3.98Å; Y261-I279 HydrophobicContact CD1-CG1 3.62Å; Y261-I279 HydrophobicContact CE1-CD1 4.28Å; Y261-I279 HydrophobicContact CE1-CG1 4.08Å; Y261-I279 HydrophobicContact CG-CG1 3.97Å; F264-I279 HydrophobicContact CD1-CD1 4.01Å; F264-I279 HydrophobicContact CE1-CD1 3.85Å; I271-I279 HydrophobicContact CD1-CD1 3.84Å; Q275-I279 VanDerWaalsContact O-CB 3.26Å; Q275-I279 WeakPolarHBondContact O-CB 3.34Å; Q275-I279 WeakPolarHBondContact O-CD1 3.31Å; Q275-I279 WeakPolarHBondContact O-CG1 3.4Å; Q275-I279 PolarHBondContact O-N 3.24Å; V276-I279 PolarHBondContact O-N 3.01Å; L277-I279 VanDerWaalsContact C-N 3.35Å; L277-I279 PolarHBondContact O-N 2.97Å; I279-A282 PolarHBondContact O-N 3.37Å; I279-N283 VanDerWaalsContact O-CB 3.31Å; I279-N283 WeakPolarHBondContact O-CB 3.36Å; I279-N283 PolarHBondContact O-N 2.97Å; I279-I288 HydrophobicContact CB-CD1 4.44Å; I279-I288 HydrophobicContact CG2-CD1 4.03Å; I279-V290 HydrophobicContact CG2-CB 4.48Å; I279-V290 HydrophobicContact CG2-CG1 4.11Å; I279-V290 HydrophobicContact CG2-CG2 3.5Å |
| 280 | N | 95.9 | Very high | 94.2 | Very high | 19 Ų | 19 | 36.7 Ų | 36.7 | 10% | 0.102 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -48.4 | 176.6 | -76.8 | -16.5 | 0 | 0 | 0 | 110.9 | V276 L277 A282 N283 E284 R343 T347 | V276-N280 WeakPolarHBondContact O-CB 3.29Å; V276-N280 PolarHBondContact O-N 3.2Å; L277-N280 PolarHBondContact O-N 3.03Å; N280-A282 VanDerWaalsContact C-N 3.34Å; N280-A282 PolarHBondContact O-N 2.82Å; N280-N283 WeakPolarHBondContact O-CB 3.46Å; N280-N283 PolarHBondContact O-N 2.83Å; N280-N283 VanDerWaalsContact O-N 3.13Å; N280-E284 WeakPolarHBondContact O-CG 3.44Å; N280-E284 PolarHBondContact O-N 3.44Å; N280-R343 PolarHBondContact OD1-NH2 2.98Å; N280-R343 VanDerWaalsContact OD1-NH2 3.09Å; N280-T347 PolarHBondContact ND2-OG1 2.83Å; N280-T347 VanDerWaalsContact ND2-OG1 3.11Å |
| 281 | R | 94.1 | Very high | 94.3 | Very high | 55 Ų | 55 | 41.4 Ų | 41.4 | 21% | 0.208 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56 | -45.8 | 174.9 | -170.2 | -168.4 | -74.3 | -178.2 | -7.1 | 112.1 | F258 L277 N283 E284 R285 M561 D565 | F258-R281 HydrophobicContact CE1-CB 4.44Å; F258-R281 HydrophobicContact CE1-CG 4.39Å; F258-R281 HydrophobicContact CZ-CB 4.47Å; F258-R281 HydrophobicContact CZ-CG 4.01Å; L277-R281 WeakPolarHBondContact O-CB 3.48Å; L277-R281 PolarHBondContact O-N 3.33Å; R281-N283 VanDerWaalsContact C-N 3.35Å; R281-N283 PolarHBondContact O-N 3.05Å; R281-E284 PolarHBondContact O-N 2.77Å; R281-R285 WeakPolarHBondContact O-CG 3.2Å; R281-R285 PolarHBondContact O-N 3.08Å; R281-M561 PolarHBondContact NH2-O 3.24Å; R281-D565 WeakPolarHBondContact CG-OD1 3.32Å; R281-D565 IonicContact CZ-OD1 2.84Å; R281-D565 IonicContact CZ-OD2 3.94Å; R281-D565 VanDerWaalsContact CZ-OD2 3.25Å; R281-D565 IonicContact NE-OD1 3.14Å; R281-D565 PolarHBondContact NE-OD1 2.81Å; R281-D565 IonicContact NE-OD2 2.71Å; R281-D565 PolarHBondContact NE-OD2 3.25Å; R281-D565 IonicContact NH2-OD1 2.76Å; R281-D565 IonicContact NH2-OD2 2.69Å; R281-D565 PolarHBondContact NH2-OD2 3.42Å |
| 282 | A | 94.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -36.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F258 A278 I279 N280 G286 V287 I288 | F258-A282 HydrophobicContact CB-CB 4.04Å; F258-A282 HydrophobicContact CD1-CB 3.63Å; F258-A282 HydrophobicContact CD2-CB 3.95Å; F258-A282 HydrophobicContact CE1-CB 4.01Å; F258-A282 HydrophobicContact CE2-CB 4.34Å; F258-A282 HydrophobicContact CG-CB 3.59Å; F258-A282 HydrophobicContact CZ-CB 4.35Å; A278-A282 VanDerWaalsContact O-CB 3.31Å; A278-A282 WeakPolarHBondContact O-CB 3.35Å; A278-A282 PolarHBondContact O-N 3.26Å; I279-A282 PolarHBondContact O-N 3.37Å; N280-A282 VanDerWaalsContact C-N 3.34Å; N280-A282 PolarHBondContact O-N 2.82Å; A282-G286 PolarHBondContact O-N 3.37Å; A282-V287 WeakPolarHBondContact O-CB 3.48Å; A282-V287 PolarHBondContact O-N 2.93Å; A282-I288 HydrophobicContact CB-CD1 3.66Å; A282-I288 HydrophobicContact CB-CG1 3.74Å |
| 283 | N | 94.9 | Very high | 94.6 | Very high | 55 Ų | 55 | 41.7 Ų | 41.7 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.8 | -42.9 | 176.8 | -179.2 | 63.2 | 0 | 0 | 0 | 111.6 | I279 N280 R281 G286 I288 V290 | I279-N283 VanDerWaalsContact O-CB 3.31Å; I279-N283 WeakPolarHBondContact O-CB 3.36Å; I279-N283 PolarHBondContact O-N 2.97Å; N280-N283 WeakPolarHBondContact O-CB 3.46Å; N280-N283 PolarHBondContact O-N 2.83Å; N280-N283 VanDerWaalsContact O-N 3.13Å; R281-N283 VanDerWaalsContact C-N 3.35Å; R281-N283 PolarHBondContact O-N 3.05Å; N283-G286 WeakPolarHBondContact O-CA 3.21Å; N283-G286 PolarHBondContact O-N 2.96Å; N283-I288 HydrophobicContact CB-CG1 4.23Å; N283-I288 PolarHBondContact OD1-O 2.95Å; N283-V290 HydrophobicContact CB-CG2 3.95Å |
| 284 | E | 93.1 | Very high | 94.8 | Very high | 153 Ų | 153 | 41.7 Ų | 41.7 | 72% | 0.715 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -62.9 | -41.6 | 176.1 | -75 | 173.2 | -169.3 | 0 | 0 | 112.1 | N280 R281 G286 | N280-E284 WeakPolarHBondContact O-CG 3.44Å; N280-E284 PolarHBondContact O-N 3.44Å; R281-E284 PolarHBondContact O-N 2.77Å; E284-G286 PolarHBondContact O-N 3.19Å |
| 285 | R | 91.4 | Very high | 95 | Very high | 145 Ų | 145 | 41.8 Ų | 41.8 | 55% | 0.547 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -5.3 | 171.7 | -68.4 | -173.7 | -179.1 | -157.9 | -2.1 | 113.8 | D254 R281 V287 | D254-R285 IonicContact OD1-CZ 3.73Å; D254-R285 IonicContact OD1-NH1 3.5Å; D254-R285 PolarHBondContact OD1-NH1 2.87Å; R281-R285 WeakPolarHBondContact O-CG 3.2Å; R281-R285 PolarHBondContact O-N 3.08Å; R285-V287 VanDerWaalsContact C-N 3.35Å; R285-V287 HydrophobicContact CB-CG2 4.04Å; R285-V287 PolarHBondContact O-N 3.44Å |
| 286 | G | 91.8 | Very high | 95.1 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 23.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K201 A282 N283 E284 | K201-G286 WeakPolarHBondContact CB-O 3.28Å; K201-G286 VanDerWaalsContact CD-O 3.23Å; K201-G286 WeakPolarHBondContact CD-O 3.06Å; A282-G286 PolarHBondContact O-N 3.37Å; N283-G286 WeakPolarHBondContact O-CA 3.21Å; N283-G286 PolarHBondContact O-N 2.96Å; E284-G286 PolarHBondContact O-N 3.19Å |
| 287 | V | 92.6 | Very high | 95 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -80.7 | -38.3 | 178.8 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | K201 D254 L255 F258 L262 A282 R285 | K201-V287 PolarHBondContact N-O 2.98Å; D254-V287 HydrophobicContact CB-CG2 3.88Å; L255-V287 HydrophobicContact CD2-CG1 3.97Å; F258-V287 HydrophobicContact CB-CG1 4.43Å; F258-V287 HydrophobicContact CD2-CB 4.45Å; F258-V287 HydrophobicContact CD2-CG1 4.43Å; F258-V287 HydrophobicContact CD2-CG2 4.04Å; F258-V287 HydrophobicContact CE2-CG2 4.44Å; L262-V287 HydrophobicContact CD2-CG1 4.17Å; A282-V287 WeakPolarHBondContact O-CB 3.48Å; A282-V287 PolarHBondContact O-N 2.93Å; R285-V287 VanDerWaalsContact C-N 3.35Å; R285-V287 HydrophobicContact CB-CG2 4.04Å; R285-V287 PolarHBondContact O-N 3.44Å |
| 288 | I | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 163.6 | -177 | 65.4 | 174.5 | 0 | 0 | 0 | 111.8 | T198 A199 L262 I279 A282 N283 V290 | T198-I288 HydrophobicContact CG2-CD1 4.06Å; A199-I288 CarbonylContact O-C 3.53Å; A199-I288 VanDerWaalsContact O-CA 3.27Å; A199-I288 WeakPolarHBondContact O-CA 3.13Å; A199-I288 WeakPolarHBondContact O-CB 3.43Å; L262-I288 HydrophobicContact CD2-CG2 4.1Å; I279-I288 HydrophobicContact CB-CD1 4.44Å; I279-I288 HydrophobicContact CG2-CD1 4.03Å; A282-I288 HydrophobicContact CB-CD1 3.66Å; A282-I288 HydrophobicContact CB-CG1 3.74Å; N283-I288 HydrophobicContact CB-CG1 4.23Å; N283-I288 PolarHBondContact OD1-O 2.95Å; I288-V290 HydrophobicContact CD1-CG2 4.04Å; I288-V290 HydrophobicContact CG1-CG2 4.26Å |
| 289 | T | 96.2 | Very high | 95.3 | Very high | 51 Ų | 51 | 52.9 Ų | 52.9 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143.2 | 163.4 | 57.3 | 0 | 0 | 0 | 0 | 109 | T198 A199 K201 | T198-T289 VanDerWaalsContact CA-O 3.26Å; T198-T289 WeakPolarHBondContact CA-O 3.45Å; A199-T289 PolarHBondContact N-O 3.26Å; A199-T289 PolarHBondContact O-N 3.45Å; A199-T289 PolarHBondContact O-OG1 3.28Å; K201-T289 HydrophobicContact CB-CG2 4.2Å; K201-T289 HydrophobicContact CD-CG2 4.44Å; K201-T289 HydrophobicContact CG-CG2 3.91Å |
| 290 | V | 96.5 | Very high | 95.3 | Very high | 22 Ų | 22 | 58.8 Ų | 58.8 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131 | -176.6 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | L196 T198 I279 N283 I288 R343 | L196-V290 HydrophobicContact CD1-CG1 4.07Å; L196-V290 HydrophobicContact CD2-CG1 4.22Å; L196-V290 HydrophobicContact CG-CG1 4.07Å; T198-V290 HydrophobicContact CG2-CG1 4.35Å; T198-V290 HydrophobicContact CG2-CG2 4.13Å; I279-V290 HydrophobicContact CG2-CB 4.48Å; I279-V290 HydrophobicContact CG2-CG1 4.11Å; I279-V290 HydrophobicContact CG2-CG2 3.5Å; N283-V290 HydrophobicContact CB-CG2 3.95Å; I288-V290 HydrophobicContact CD1-CG2 4.04Å; I288-V290 HydrophobicContact CG1-CG2 4.26Å; V290-R343 VanDerWaalsContact CB-NH1 3.3Å |
| 291 | K | 96.3 | Very high | 95.4 | Very high | 132 Ų | 132 | 60 Ų | 60 | 57% | 0.574 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 151.3 | 175.5 | -65.1 | -175.8 | 179.3 | -179.2 | 0 | 110 | V197 | V197-K291 PolarHBondContact N-O 2.8Å; V197-K291 PolarHBondContact O-N 3.03Å |
| 292 | I | 97.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.6 | 170 | -66 | 166.7 | 0 | 0 | 0 | 106.5 | A194 T195 L196 V268 L294 V339 I342 R343 | A194-I292 HydrophobicContact CB-CG2 3.73Å; T195-I292 CarbonylContact O-C 3.54Å; T195-I292 WeakPolarHBondContact O-CA 3.37Å; L196-I292 HydrophobicContact CB-CG1 4.39Å; L196-I292 HydrophobicContact CD1-CG1 4.37Å; L196-I292 HydrophobicContact CG-CG1 4.41Å; V268-I292 HydrophobicContact CG2-CG2 4.48Å; I292-L294 HydrophobicContact CG2-CD2 4.45Å; I292-V339 HydrophobicContact CB-CG1 4.05Å; I292-V339 HydrophobicContact CB-CG2 4.31Å; I292-V339 HydrophobicContact CD1-CG1 4.46Å; I292-V339 HydrophobicContact CG2-CG2 4.38Å; I292-I342 HydrophobicContact CD1-CB 4.46Å; I292-I342 HydrophobicContact CD1-CG2 4.03Å; I292-R343 HydrophobicContact CD1-CB 3.97Å |
| 293 | H | 96.9 | Very high | 95.7 | Very high | 100 Ų | 100 | 58.1 Ų | 58.1 | 46% | 0.463 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.1 | 177.6 | -65.8 | -61.2 | 0 | 0 | 0 | 109.2 | A194 T195 | A194-H293 WeakPolarHBondContact CA-O 3.48Å; A194-H293 WeakPolarHBondContact CB-O 3.18Å; T195-H293 PolarHBondContact N-O 2.93Å; T195-H293 PolarHBondContact O-N 3.04Å |
| 294 | L | 96.9 | Very high | 95.8 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.12 | 30% | 0.298 | C | S | . | . | trans | -75.5 | 149.9 | 172.8 | -54.9 | -171.6 | 0 | 0 | 0 | 110.1 | A194 I292 W330 D335 L338 V339 I342 | A194-L294 HydrophobicContact CB-CD2 3.8Å; I292-L294 HydrophobicContact CG2-CD2 4.45Å; L294-W330 HydrophobicContact CD1-CZ2 4.23Å; L294-D335 HydrophobicContact CD1-CB 4.47Å; L294-D335 WeakPolarHBondContact CD1-OD1 3.48Å; L294-D335 WeakPolarHBondContact CG-OD1 3.44Å; L294-L338 HydrophobicContact CD1-CB 3.98Å; L294-L338 HydrophobicContact CD1-CD1 3.82Å; L294-V339 HydrophobicContact CD2-CG2 4.38Å; L294-V339 HydrophobicContact CG-CG2 4.34Å; L294-I342 HydrophobicContact CD2-CD1 3.64Å | ||
| 295 | S | 95.2 | Very high | 96 | Very high | 29 Ų | 29 | 53.2 Ų | 53.2 | 20% | 0.203 | 27% | 0.274 | C | S | . | . | trans | -64.9 | 136.9 | 171.6 | 172.6 | 0 | 0 | 0 | 0 | 109.9 | Q297 V298 | S295-Q297 PolarHBondContact O-N 3.33Å; S295-Q297 PolarHBondContact OG-N 2.96Å; S295-V298 WeakPolarHBondContact O-CB 3.22Å; S295-V298 WeakPolarHBondContact O-CG2 3.28Å; S295-V298 PolarHBondContact O-N 3.2Å | ||
| 296 | P | 95.3 | Very high | 96.2 | Very high | 107 Ų | 107 | 46.3 Ų | 46.3 | 70% | 0.695 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -54.7 | -25.9 | 173.6 | -26.3 | 34.8 | 0 | 0 | 0 | 113.6 | V298 Q299 H300 | P296-V298 PolarHBondContact O-N 2.9Å; P296-Q299 PolarHBondContact O-N 3.48Å; P296-H300 PolarHBondContact O-N 2.91Å; P296-H300 VanDerWaalsContact O-N 3.11Å |
| 297 | Q | 96.3 | Very high | 96.5 | Very high | 102 Ų | 102 | 46.8 Ų | 46.8 | 48% | 0.477 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.1 | -27.4 | 176.3 | -68.5 | 166.5 | -17.2 | 0 | 0 | 112.8 | Y192 S295 N301 | Y192-Q297 HydrophobicContact CD1-CB 3.98Å; Y192-Q297 HydrophobicContact CD2-CB 4.33Å; Y192-Q297 HydrophobicContact CE1-CB 4.03Å; Y192-Q297 HydrophobicContact CE1-CG 4.45Å; Y192-Q297 HydrophobicContact CE2-CB 4.4Å; Y192-Q297 HydrophobicContact CG-CB 4.11Å; S295-Q297 PolarHBondContact O-N 3.33Å; S295-Q297 PolarHBondContact OG-N 2.96Å; Q297-N301 VanDerWaalsContact O-CB 3.29Å; Q297-N301 WeakPolarHBondContact O-CB 3.38Å; Q297-N301 VanDerWaalsContact O-CG 3.24Å; Q297-N301 PolarHBondContact O-N 3.26Å; Q297-N301 PolarHBondContact O-ND2 3.42Å; Q297-N301 VanDerWaalsContact O-ND2 3.1Å |
| 298 | V | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.9 | -49.3 | 176.3 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | L188 Y192 S295 P296 C302 W330 | L188-V298 HydrophobicContact CB-CB 4.49Å; L188-V298 HydrophobicContact CB-CG1 3.78Å; Y192-V298 HydrophobicContact CD2-CG2 4.43Å; S295-V298 WeakPolarHBondContact O-CB 3.22Å; S295-V298 WeakPolarHBondContact O-CG2 3.28Å; S295-V298 PolarHBondContact O-N 3.2Å; P296-V298 PolarHBondContact O-N 2.9Å; V298-C302 WeakPolarHBondContact O-CB 3.27Å; V298-C302 PolarHBondContact O-N 3.18Å; V298-W330 HydrophobicContact CB-CH2 4.35Å; V298-W330 HydrophobicContact CB-CZ2 4.32Å; V298-W330 HydrophobicContact CG1-CH2 3.65Å; V298-W330 HydrophobicContact CG1-CZ2 4.04Å |
| 299 | Q | 97.4 | Very high | 96.6 | Very high | 62 Ų | 62 | 55.9 Ų | 55.9 | 29% | 0.29 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 177.4 | -175.7 | 177.5 | 0.6 | 0 | 0 | 111.1 | P296 N301 C302 A303 F326 N327 W330 | P296-Q299 PolarHBondContact O-N 3.48Å; Q299-N301 PolarHBondContact O-N 3.45Å; Q299-C302 PolarHBondContact O-N 3.14Å; Q299-A303 WeakPolarHBondContact O-CB 3.39Å; Q299-A303 PolarHBondContact O-N 2.95Å; Q299-F326 HydrophobicContact CG-CE1 4.38Å; Q299-N327 PolarHBondContact NE2-OD1 3.36Å; Q299-N327 VanDerWaalsContact NE2-OD1 3.09Å; Q299-W330 HydrophobicContact CB-CD2 3.99Å; Q299-W330 VanDerWaalsContact CB-CE2 3.48Å; Q299-W330 HydrophobicContact CB-CG 4.38Å; Q299-W330 HydrophobicContact CB-CH2 4.45Å; Q299-W330 HydrophobicContact CB-CZ2 3.75Å; Q299-W330 HydrophobicContact CG-CD2 3.7Å; Q299-W330 HydrophobicContact CG-CE3 4.38Å; Q299-W330 HydrophobicContact CG-CG 3.7Å; Q299-W330 HydrophobicContact CG-CZ2 4.41Å |
| 300 | H | 97.1 | Very high | 96.5 | Very high | 126 Ų | 126 | 54.1 Ų | 54.1 | 58% | 0.583 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60 | -47.5 | -178.5 | -179 | 72.8 | 0 | 0 | 0 | 112.1 | P296 A303 T304 | P296-H300 PolarHBondContact O-N 2.91Å; P296-H300 VanDerWaalsContact O-N 3.11Å; H300-A303 WeakPolarHBondContact O-CB 3.47Å; H300-A303 PolarHBondContact O-N 3.37Å; H300-T304 PolarHBondContact O-N 2.73Å; H300-T304 PolarHBondContact O-OG1 3.44Å |
| 301 | N | 97.6 | Very high | 96.4 | Very high | 45 Ų | 45 | 57.4 Ų | 57.4 | 24% | 0.241 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.5 | -30.8 | -179.5 | -68.7 | -30.1 | 0 | 0 | 0 | 112.6 | L188 Y192 Q297 Q299 T304 F305 | L188-N301 HydrophobicContact CD1-CB 3.7Å; L188-N301 HydrophobicContact CD2-CB 3.74Å; L188-N301 HydrophobicContact CG-CB 4.39Å; Y192-N301 WeakPolarHBondContact CE2-ND2 3.34Å; Y192-N301 PolarHBondContact OH-ND2 3.13Å; Q297-N301 VanDerWaalsContact O-CB 3.29Å; Q297-N301 WeakPolarHBondContact O-CB 3.38Å; Q297-N301 VanDerWaalsContact O-CG 3.24Å; Q297-N301 PolarHBondContact O-N 3.26Å; Q297-N301 PolarHBondContact O-ND2 3.42Å; Q297-N301 VanDerWaalsContact O-ND2 3.1Å; Q299-N301 PolarHBondContact O-N 3.45Å; N301-T304 PolarHBondContact O-N 3.27Å; N301-F305 PolarHBondContact O-N 3.43Å; N301-F305 VanDerWaalsContact O-N 3.12Å |
| 302 | C | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69 | -39.9 | 172.5 | -168.5 | 0 | 0 | 0 | 0 | 111 | L188 V298 Q299 T304 F305 V306 F326 W330 | L188-C302 HydrophobicContact CD1-CB 4.06Å; V298-C302 WeakPolarHBondContact O-CB 3.27Å; V298-C302 PolarHBondContact O-N 3.18Å; Q299-C302 PolarHBondContact O-N 3.14Å; C302-T304 VanDerWaalsContact C-N 3.32Å; C302-T304 PolarHBondContact O-N 3.27Å; C302-F305 WeakPolarHBondContact O-CB 3.42Å; C302-F305 PolarHBondContact O-N 2.84Å; C302-F305 VanDerWaalsContact O-N 3.11Å; C302-V306 WeakPolarHBondContact O-CG2 3.29Å; C302-V306 PolarHBondContact O-N 3.26Å; C302-F326 HydrophobicContact CB-CZ 4.18Å; C302-W330 HydrophobicContact CB-CE3 4.46Å; C302-W330 HydrophobicContact CB-CH2 4.2Å; C302-W330 HydrophobicContact CB-CZ3 3.68Å |
| 303 | A | 97.4 | Very high | 95.9 | Very high | 14 Ų | 14 | 57.6 Ų | 57.6 | 12% | 0.116 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58 | -43.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q299 H300 F305 V306 S307 M323 F326 | Q299-A303 WeakPolarHBondContact O-CB 3.39Å; Q299-A303 PolarHBondContact O-N 2.95Å; H300-A303 WeakPolarHBondContact O-CB 3.47Å; H300-A303 PolarHBondContact O-N 3.37Å; A303-F305 VanDerWaalsContact C-N 3.3Å; A303-F305 PolarHBondContact O-N 3.26Å; A303-V306 PolarHBondContact O-N 2.92Å; A303-V306 VanDerWaalsContact O-N 3.16Å; A303-S307 PolarHBondContact O-N 2.95Å; A303-S307 PolarHBondContact O-OG 3Å; A303-M323 HydrophobicContact CB-CE 3.47Å; A303-M323 VanDerWaalsContact CB-CE 3.47Å; A303-M323 HydrophobicContact CB-SD 4.48Å; A303-F326 HydrophobicContact CB-CD1 4.29Å; A303-F326 HydrophobicContact CB-CE1 3.73Å; A303-F326 HydrophobicContact CB-CZ 4.29Å |
| 304 | T | 97.1 | Very high | 95.7 | Very high | 57 Ų | 57 | 53 Ų | 53 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 174.2 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | H300 N301 C302 S307 Q308 | H300-T304 PolarHBondContact O-N 2.73Å; H300-T304 PolarHBondContact O-OG1 3.44Å; N301-T304 PolarHBondContact O-N 3.27Å; C302-T304 VanDerWaalsContact C-N 3.32Å; C302-T304 PolarHBondContact O-N 3.27Å; T304-S307 WeakPolarHBondContact O-CB 3.24Å; T304-S307 PolarHBondContact O-N 3.21Å; T304-Q308 WeakPolarHBondContact O-CG 3.18Å; T304-Q308 PolarHBondContact O-N 2.85Å |
| 305 | F | 97.2 | Very high | 95.5 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 21% | 0.211 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 174.9 | 176.7 | -101.2 | 0 | 0 | 0 | 112.1 | D180 I181 K184 N301 C302 A303 S307 Q308 K309 | D180-F305 HydrophobicContact CB-CE1 4.24Å; D180-F305 HydrophobicContact CB-CZ 4.1Å; I181-F305 HydrophobicContact CG1-CD1 4.34Å; I181-F305 HydrophobicContact CG1-CE1 4.11Å; K184-F305 HydrophobicContact CB-CD1 4.05Å; K184-F305 HydrophobicContact CB-CE1 4.2Å; K184-F305 HydrophobicContact CB-CG 4.25Å; K184-F305 HydrophobicContact CG-CB 4.06Å; K184-F305 HydrophobicContact CG-CD1 4.12Å; K184-F305 HydrophobicContact CG-CD2 4.08Å; K184-F305 HydrophobicContact CG-CG 3.81Å; N301-F305 PolarHBondContact O-N 3.43Å; N301-F305 VanDerWaalsContact O-N 3.12Å; C302-F305 WeakPolarHBondContact O-CB 3.42Å; C302-F305 PolarHBondContact O-N 2.84Å; C302-F305 VanDerWaalsContact O-N 3.11Å; A303-F305 VanDerWaalsContact C-N 3.3Å; A303-F305 PolarHBondContact O-N 3.26Å; F305-S307 VanDerWaalsContact C-N 3.34Å; F305-S307 PolarHBondContact O-N 2.77Å; F305-Q308 PolarHBondContact O-N 2.84Å; F305-K309 HydrophobicContact CE1-CD 4.44Å; F305-K309 PolarHBondContact O-N 2.86Å |
| 306 | V | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 174.3 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | F175 I181 C302 A303 Q308 K309 Y310 F326 | F175-V306 HydrophobicContact CE1-CG1 4.14Å; F175-V306 HydrophobicContact CE2-CG1 4.36Å; F175-V306 HydrophobicContact CZ-CG1 3.95Å; I181-V306 HydrophobicContact CD1-CG2 3.8Å; I181-V306 HydrophobicContact CG1-CG2 4.01Å; I181-V306 HydrophobicContact CG2-CG2 4.21Å; C302-V306 WeakPolarHBondContact O-CG2 3.29Å; C302-V306 PolarHBondContact O-N 3.26Å; A303-V306 PolarHBondContact O-N 2.92Å; A303-V306 VanDerWaalsContact O-N 3.16Å; V306-Q308 PolarHBondContact O-N 2.73Å; V306-K309 PolarHBondContact O-N 3.39Å; V306-Y310 HydrophobicContact CG1-CD2 3.94Å; V306-Y310 PolarHBondContact O-N 3.3Å; V306-F326 HydrophobicContact CB-CD2 4.21Å; V306-F326 HydrophobicContact CB-CE2 4.3Å; V306-F326 HydrophobicContact CG1-CD2 4.15Å; V306-F326 HydrophobicContact CG2-CD2 3.66Å; V306-F326 HydrophobicContact CG2-CE2 3.44Å; V306-F326 VanDerWaalsContact CG2-CE2 3.44Å; V306-F326 HydrophobicContact CG2-CZ 4.29Å |
| 307 | S | 96.3 | Very high | 95.3 | Very high | 37 Ų | 37 | 62 Ų | 62 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.1 | -47.5 | 172.8 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | A303 T304 F305 K309 F311 W319 | A303-S307 PolarHBondContact O-N 2.95Å; A303-S307 PolarHBondContact O-OG 3Å; T304-S307 WeakPolarHBondContact O-CB 3.24Å; T304-S307 PolarHBondContact O-N 3.21Å; F305-S307 VanDerWaalsContact C-N 3.34Å; F305-S307 PolarHBondContact O-N 2.77Å; S307-K309 VanDerWaalsContact C-N 3.27Å; S307-K309 PolarHBondContact O-N 3.29Å; S307-F311 WeakPolarHBondContact O-CB 3.26Å; S307-F311 PolarHBondContact O-N 3.49Å; S307-W319 WeakPolarHBondContact OG-CZ2 3.43Å |
| 308 | Q | 95.7 | Very high | 95.2 | Very high | 137 Ų | 137 | 57.9 Ų | 57.9 | 64% | 0.64 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.4 | -35.6 | 178 | -71.6 | 170.5 | -9.1 | 0 | 0 | 112.5 | T304 F305 V306 | T304-Q308 WeakPolarHBondContact O-CG 3.18Å; T304-Q308 PolarHBondContact O-N 2.85Å; F305-Q308 PolarHBondContact O-N 2.84Å; V306-Q308 PolarHBondContact O-N 2.73Å |
| 309 | K | 94.1 | Very high | 95.1 | Very high | 71 Ų | 71 | 59.9 Ų | 59.9 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -77.4 | -43.9 | -177.6 | -171.5 | 168.3 | -179.5 | 174.9 | 0 | 113.2 | D178 D180 F305 V306 S307 | D178-K309 VanDerWaalsContact CG-NZ 3.26Å; D178-K309 IonicContact OD1-NZ 3.9Å; D178-K309 PolarHBondContact OD1-NZ 3.37Å; D178-K309 WeakPolarHBondContact OD2-CE 3.39Å; D178-K309 IonicContact OD2-NZ 3.01Å; D178-K309 PolarHBondContact OD2-NZ 3.44Å; D180-K309 IonicContact OD2-NZ 2.94Å; D180-K309 PolarHBondContact OD2-NZ 2.65Å; F305-K309 HydrophobicContact CE1-CD 4.44Å; F305-K309 PolarHBondContact O-N 2.86Å; V306-K309 PolarHBondContact O-N 3.39Å; S307-K309 VanDerWaalsContact C-N 3.27Å; S307-K309 PolarHBondContact O-N 3.29Å |
| 310 | Y | 94.6 | Very high | 95 | Very high | 14 Ų | 14 | 63.4 Ų | 63.4 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -110.6 | -21.7 | -169 | -68.2 | -84.9 | 0 | 0 | 0 | 115 | L137 H138 F175 D178 I181 V306 P312 T313 T314 | L137-Y310 HydrophobicContact CB-CD1 4.24Å; L137-Y310 HydrophobicContact CD2-CD1 4.03Å; L137-Y310 HydrophobicContact CD2-CE1 4.48Å; H138-Y310 AromaticContact NE2-CE1 3.68Å; F175-Y310 AromaticContact CD1-CE2 3.99Å; F175-Y310 HydrophobicContact CD1-CE2 3.99Å; F175-Y310 HydrophobicContact CE1-CD1 4.37Å; F175-Y310 AromaticContact CE1-CD2 3.73Å; F175-Y310 HydrophobicContact CE1-CD2 3.73Å; F175-Y310 HydrophobicContact CE1-CE1 4.22Å; F175-Y310 AromaticContact CE1-CE2 3.56Å; F175-Y310 HydrophobicContact CE1-CE2 3.56Å; F175-Y310 HydrophobicContact CE1-CG 4.14Å; F175-Y310 AromaticContact CE1-CZ 3.83Å; F175-Y310 HydrophobicContact CZ-CD2 4.44Å; D178-Y310 PolarHBondContact OD2-OH 3.04Å; I181-Y310 HydrophobicContact CD1-CE2 4.01Å; V306-Y310 HydrophobicContact CG1-CD2 3.94Å; V306-Y310 PolarHBondContact O-N 3.3Å; Y310-P312 VanDerWaalsContact C-CD 3.46Å; Y310-T313 PolarHBondContact O-N 3.41Å; Y310-T313 PolarHBondContact O-OG1 3.44Å; Y310-T313 VanDerWaalsContact O-OG1 3.07Å; Y310-T314 WeakPolarHBondContact O-CB 3.34Å; Y310-T314 PolarHBondContact O-N 2.92Å; Y310-T314 PolarHBondContact O-OG1 2.92Å |
| 311 | F | 93.9 | Very high | 94.9 | Very high | 90 Ų | 90 | 59.4 Ų | 59.4 | 40% | 0.395 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -39.6 | 179.5 | -174.8 | -99.3 | 0 | 0 | 0 | 113.8 | S307 T313 T314 W319 | S307-F311 WeakPolarHBondContact O-CB 3.26Å; S307-F311 PolarHBondContact O-N 3.49Å; F311-T313 PolarHBondContact O-N 2.86Å; F311-T314 PolarHBondContact O-N 2.96Å; F311-W319 HydrophobicContact CB-CE3 4.47Å; F311-W319 HydrophobicContact CB-CH2 4.25Å; F311-W319 HydrophobicContact CB-CZ3 4.16Å; F311-W319 AromaticContact CD2-CD2 3.59Å; F311-W319 HydrophobicContact CD2-CD2 3.59Å; F311-W319 AromaticContact CD2-CE2 3.8Å; F311-W319 AromaticContact CD2-CE3 3.84Å; F311-W319 HydrophobicContact CD2-CE3 3.84Å; F311-W319 AromaticContact CD2-CG 3.98Å; F311-W319 HydrophobicContact CD2-CG 3.98Å; F311-W319 HydrophobicContact CD2-CZ2 4.3Å; F311-W319 HydrophobicContact CD2-CZ3 4.31Å; F311-W319 HydrophobicContact CE2-CD2 4.17Å; F311-W319 HydrophobicContact CE2-CG 4.06Å |
| 312 | P | 93.1 | Very high | 94.9 | Very high | 95 Ų | 95 | 57.3 Ų | 57.3 | 62% | 0.617 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25 | 179.5 | -24.9 | 36 | 0 | 0 | 0 | 114.2 | Y310 | Y310-P312 VanDerWaalsContact C-CD 3.46Š|
| 313 | T | 91.4 | Very high | 94.9 | Very high | 52 Ų | 52 | 58.9 Ų | 58.9 | 32% | 0.319 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -17.2 | -177 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | L137 H138 S139 N140 Y310 F311 | L137-T313 WeakPolarHBondContact O-CB 3.41Å; L137-T313 PolarHBondContact O-OG1 3.36Å; H138-T313 CarbonylContact C-O 3.54Å; S139-T313 CarbonylContact C-O 2.89Å; S139-T313 WeakPolarHBondContact CA-O 3.06Å; S139-T313 PolarHBondContact N-O 2.91Å; S139-T313 VanDerWaalsContact O-O 3.08Å; N140-T313 PolarHBondContact N-O 3.24Å; N140-T313 VanDerWaalsContact N-O 3.13Å; Y310-T313 PolarHBondContact O-N 3.41Å; Y310-T313 PolarHBondContact O-OG1 3.44Å; Y310-T313 VanDerWaalsContact O-OG1 3.07Å; F311-T313 PolarHBondContact O-N 2.86Å |
| 314 | T | 92 | Very high | 94.9 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -89.4 | 136.1 | -178.1 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | I136 L137 Y310 F311 H318 W319 V322 | I136-T314 WeakPolarHBondContact O-CG2 3.45Å; L137-T314 PolarHBondContact O-OG1 2.9Å; Y310-T314 WeakPolarHBondContact O-CB 3.34Å; Y310-T314 PolarHBondContact O-N 2.92Å; Y310-T314 PolarHBondContact O-OG1 2.92Å; F311-T314 PolarHBondContact O-N 2.96Å; T314-H318 HydrophobicContact CG2-CB 4.27Å; T314-W319 HydrophobicContact CG2-CE3 4.14Å; T314-V322 HydrophobicContact CG2-CG2 3.87Å |
| 315 | N | 93.2 | Very high | 94.9 | Very high | 25 Ų | 25 | 58.9 Ų | 58.9 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | trans | -63.5 | 137.6 | 171.6 | -170.8 | -71.6 | 0 | 0 | 0 | 111.7 | N140 R141 I317 H318 W319 | N140-N315 PolarHBondContact O-ND2 2.9Å; N140-N315 WeakPolarHBondContact OD1-CA 3.43Å; R141-N315 WeakPolarHBondContact O-CB 3.33Å; N315-I317 PolarHBondContact O-N 3.42Å; N315-I317 VanDerWaalsContact O-N 3.1Å; N315-I317 WeakPolarHBondContact OD1-CB 3.35Å; N315-I317 PolarHBondContact OD1-N 2.74Å; N315-H318 PolarHBondContact O-N 3.35Å; N315-W319 PolarHBondContact O-N 3.38Å | ||
| 316 | R | 92.8 | Very high | 94.9 | Very high | 203 Ų | 203 | 56.6 Ų | 56.6 | 77% | 0.766 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -53 | -34.6 | -178.8 | -68.9 | -175.2 | 177.4 | -176.4 | -0.5 | 114.3 | H318 W319 | R316-H318 VanDerWaalsContact C-N 3.26Å; R316-H318 PolarHBondContact O-N 3.41Å; R316-W319 WeakPolarHBondContact O-CB 3.38Å; R316-W319 PolarHBondContact O-N 3.06Å |
| 317 | I | 93.3 | Very high | 95 | Very high | 121 Ų | 121 | 60 Ų | 60 | 62% | 0.621 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -64.9 | -32.1 | 179.8 | -65.1 | 171.4 | 0 | 0 | 0 | 111.4 | N315 | N315-I317 PolarHBondContact O-N 3.42Å; N315-I317 VanDerWaalsContact O-N 3.1Å; N315-I317 WeakPolarHBondContact OD1-CB 3.35Å; N315-I317 PolarHBondContact OD1-N 2.74Å |
| 318 | H | 94.3 | Very high | 95 | Very high | 15 Ų | 15 | 60.4 Ų | 60.4 | 7% | 0.069 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -89.7 | -5.3 | -177.7 | -65.5 | -45.7 | 0 | 0 | 0 | 113.5 | I136 V143 T314 N315 R316 D320 F321 V322 | I136-H318 HydrophobicContact CG2-CB 4.01Å; V143-H318 PolarHBondContact N-NE2 3.29Å; V143-H318 PolarHBondContact O-CE1 2.81Å; V143-H318 PolarHBondContact O-NE2 2.87Å; T314-H318 HydrophobicContact CG2-CB 4.27Å; N315-H318 PolarHBondContact O-N 3.35Å; R316-H318 VanDerWaalsContact C-N 3.26Å; R316-H318 PolarHBondContact O-N 3.41Å; H318-D320 PolarHBondContact O-N 3.4Å; H318-F321 WeakPolarHBondContact O-CB 3.3Å; H318-F321 PolarHBondContact O-N 2.83Å; H318-F321 VanDerWaalsContact O-N 3.13Å; H318-V322 WeakPolarHBondContact O-CG2 3.46Å; H318-V322 PolarHBondContact O-N 3.14Å |
| 319 | W | 95 | Very high | 95 | Very high | 42 Ų | 42 | 53.9 Ų | 53.9 | 16% | 0.159 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -42.5 | -171 | -176.1 | -114.6 | 0 | 0 | 0 | 113.3 | S307 F311 T314 N315 R316 F321 V322 M323 | S307-W319 WeakPolarHBondContact OG-CZ2 3.43Å; F311-W319 HydrophobicContact CB-CE3 4.47Å; F311-W319 HydrophobicContact CB-CH2 4.25Å; F311-W319 HydrophobicContact CB-CZ3 4.16Å; F311-W319 AromaticContact CD2-CD2 3.59Å; F311-W319 HydrophobicContact CD2-CD2 3.59Å; F311-W319 AromaticContact CD2-CE2 3.8Å; F311-W319 AromaticContact CD2-CE3 3.84Å; F311-W319 HydrophobicContact CD2-CE3 3.84Å; F311-W319 AromaticContact CD2-CG 3.98Å; F311-W319 HydrophobicContact CD2-CG 3.98Å; F311-W319 HydrophobicContact CD2-CZ2 4.3Å; F311-W319 HydrophobicContact CD2-CZ3 4.31Å; F311-W319 HydrophobicContact CE2-CD2 4.17Å; F311-W319 HydrophobicContact CE2-CG 4.06Å; T314-W319 HydrophobicContact CG2-CE3 4.14Å; N315-W319 PolarHBondContact O-N 3.38Å; R316-W319 WeakPolarHBondContact O-CB 3.38Å; R316-W319 PolarHBondContact O-N 3.06Å; W319-F321 VanDerWaalsContact C-N 3.27Å; W319-F321 PolarHBondContact O-N 2.96Å; W319-V322 HydrophobicContact CE3-CB 4.32Å; W319-V322 HydrophobicContact CE3-CG1 4.33Å; W319-V322 HydrophobicContact CZ3-CB 4.43Å; W319-V322 HydrophobicContact CZ3-CG1 3.95Å; W319-V322 PolarHBondContact O-N 3.48Å; W319-M323 HydrophobicContact CZ2-SD 4.1Å; W319-M323 WeakPolarHBondContact O-CB 3.19Å; W319-M323 PolarHBondContact O-N 2.98Å |
| 320 | D | 95.2 | Very high | 95.2 | Very high | 135 Ų | 135 | 51.1 Ų | 51.1 | 72% | 0.722 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.2 | -36.4 | 177.1 | -70.2 | -21 | 0 | 0 | 0 | 111.7 | H318 S324 | H318-D320 PolarHBondContact O-N 3.4Å; D320-S324 VanDerWaalsContact O-CB 3.28Å; D320-S324 WeakPolarHBondContact O-CB 3.38Å; D320-S324 PolarHBondContact O-N 3.48Å |
| 321 | F | 95.6 | Very high | 95.2 | Very high | 43 Ų | 43 | 58.3 Ų | 58.3 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.8 | -45.2 | 175.3 | 178.3 | -97.6 | 0 | 0 | 0 | 111.6 | I136 M145 E164 V167 I171 H318 W319 M323 S324 A325 | I136-F321 HydrophobicContact CD1-CE1 4.24Å; M145-F321 HydrophobicContact CE-CD1 3.76Å; M145-F321 HydrophobicContact CE-CD2 4.08Å; M145-F321 HydrophobicContact CE-CE1 3.66Å; M145-F321 HydrophobicContact CE-CE2 3.99Å; M145-F321 HydrophobicContact CE-CG 3.96Å; M145-F321 HydrophobicContact CE-CZ 3.77Å; M145-F321 HydrophobicContact SD-CE1 4.21Å; M145-F321 HydrophobicContact SD-CE2 4.36Å; M145-F321 HydrophobicContact SD-CZ 3.93Å; E164-F321 HydrophobicContact CB-CE2 4.16Å; E164-F321 WeakPolarHBondContact O-CZ 3.34Å; V167-F321 HydrophobicContact CB-CZ 4.29Å; V167-F321 HydrophobicContact CG1-CE1 4.05Å; V167-F321 HydrophobicContact CG1-CZ 4.16Å; I171-F321 HydrophobicContact CD1-CD1 4.25Å; I171-F321 HydrophobicContact CD1-CE1 3.78Å; H318-F321 WeakPolarHBondContact O-CB 3.3Å; H318-F321 PolarHBondContact O-N 2.83Å; H318-F321 VanDerWaalsContact O-N 3.13Å; W319-F321 VanDerWaalsContact C-N 3.27Å; W319-F321 PolarHBondContact O-N 2.96Å; F321-M323 PolarHBondContact O-N 2.98Å; F321-S324 WeakPolarHBondContact O-CB 3.42Å; F321-S324 PolarHBondContact O-N 3.34Å; F321-A325 PolarHBondContact O-N 3.49Å |
| 322 | V | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | I136 L137 I171 F175 T314 H318 W319 S324 A325 F326 | I136-V322 HydrophobicContact CG2-CG2 3.57Å; L137-V322 HydrophobicContact CD2-CG1 3.89Å; L137-V322 HydrophobicContact CD2-CG2 4.21Å; I171-V322 HydrophobicContact CD1-CG2 4.5Å; F175-V322 HydrophobicContact CE2-CG1 4.13Å; F175-V322 HydrophobicContact CZ-CG1 3.73Å; T314-V322 HydrophobicContact CG2-CG2 3.87Å; H318-V322 WeakPolarHBondContact O-CG2 3.46Å; H318-V322 PolarHBondContact O-N 3.14Å; W319-V322 HydrophobicContact CE3-CB 4.32Å; W319-V322 HydrophobicContact CE3-CG1 4.33Å; W319-V322 HydrophobicContact CZ3-CB 4.43Å; W319-V322 HydrophobicContact CZ3-CG1 3.95Å; W319-V322 PolarHBondContact O-N 3.48Å; V322-S324 VanDerWaalsContact C-N 3.34Å; V322-S324 PolarHBondContact O-N 3.4Å; V322-A325 WeakPolarHBondContact O-CB 3.1Å; V322-A325 PolarHBondContact O-N 2.97Å; V322-F326 PolarHBondContact O-N 2.9Å |
| 323 | M | 97.1 | Very high | 95.2 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 17% | 0.167 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.7 | -33.1 | 179.7 | -160.3 | 63.1 | -124.9 | 0 | 0 | 112 | A303 W319 F321 F326 N327 | A303-M323 HydrophobicContact CB-CE 3.47Å; A303-M323 VanDerWaalsContact CB-CE 3.47Å; A303-M323 HydrophobicContact CB-SD 4.48Å; W319-M323 HydrophobicContact CZ2-SD 4.1Å; W319-M323 WeakPolarHBondContact O-CB 3.19Å; W319-M323 PolarHBondContact O-N 2.98Å; F321-M323 PolarHBondContact O-N 2.98Å; M323-F326 HydrophobicContact CE-CB 3.8Å; M323-F326 HydrophobicContact CE-CD1 3.1Å; M323-F326 HydrophobicContact CE-CE1 3.82Å; M323-F326 HydrophobicContact CE-CG 3.65Å; M323-F326 PolarHBondContact O-N 2.95Å; M323-N327 PolarHBondContact O-N 3.45Å; M323-N327 PolarHBondContact O-ND2 3.37Å; M323-N327 VanDerWaalsContact O-ND2 3.12Å |
| 324 | S | 97.2 | Very high | 95.3 | Very high | 71 Ų | 71 | 54.1 Ų | 54.1 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 169.6 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | D320 F321 V322 F326 N327 D328 | D320-S324 VanDerWaalsContact O-CB 3.28Å; D320-S324 WeakPolarHBondContact O-CB 3.38Å; D320-S324 PolarHBondContact O-N 3.48Å; F321-S324 WeakPolarHBondContact O-CB 3.42Å; F321-S324 PolarHBondContact O-N 3.34Å; V322-S324 VanDerWaalsContact C-N 3.34Å; V322-S324 PolarHBondContact O-N 3.4Å; S324-F326 VanDerWaalsContact C-N 3.34Å; S324-F326 PolarHBondContact O-N 2.93Å; S324-N327 PolarHBondContact O-N 3.48Å; S324-N327 VanDerWaalsContact O-N 3.13Å; S324-D328 PolarHBondContact O-N 2.97Å |
| 325 | A | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S168 I171 F321 V322 D328 A329 | S168-A325 WeakPolarHBondContact OG-CB 3.39Å; I171-A325 HydrophobicContact CB-CB 3.92Å; I171-A325 HydrophobicContact CG2-CB 3.66Å; F321-A325 PolarHBondContact O-N 3.49Å; V322-A325 WeakPolarHBondContact O-CB 3.1Å; V322-A325 PolarHBondContact O-N 2.97Å; A325-D328 PolarHBondContact O-N 2.99Å; A325-A329 WeakPolarHBondContact O-CB 3.5Å; A325-A329 PolarHBondContact O-N 3.25Å |
| 326 | F | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 171.1 | 174.5 | -90.7 | 0 | 0 | 0 | 112.3 | F175 I181 Q299 C302 A303 V306 V322 M323 S324 D328 A329 W330 I334 | F175-F326 HydrophobicContact CD2-CB 3.84Å; F175-F326 HydrophobicContact CD2-CD2 4.08Å; F175-F326 HydrophobicContact CD2-CG 4.48Å; F175-F326 HydrophobicContact CE2-CB 3.76Å; I181-F326 HydrophobicContact CG2-CE2 4.48Å; Q299-F326 HydrophobicContact CG-CE1 4.38Å; C302-F326 HydrophobicContact CB-CZ 4.18Å; A303-F326 HydrophobicContact CB-CD1 4.29Å; A303-F326 HydrophobicContact CB-CE1 3.73Å; A303-F326 HydrophobicContact CB-CZ 4.29Å; V306-F326 HydrophobicContact CB-CD2 4.21Å; V306-F326 HydrophobicContact CB-CE2 4.3Å; V306-F326 HydrophobicContact CG1-CD2 4.15Å; V306-F326 HydrophobicContact CG2-CD2 3.66Å; V306-F326 HydrophobicContact CG2-CE2 3.44Å; V306-F326 VanDerWaalsContact CG2-CE2 3.44Å; V306-F326 HydrophobicContact CG2-CZ 4.29Å; V322-F326 PolarHBondContact O-N 2.9Å; M323-F326 HydrophobicContact CE-CB 3.8Å; M323-F326 HydrophobicContact CE-CD1 3.1Å; M323-F326 HydrophobicContact CE-CE1 3.82Å; M323-F326 HydrophobicContact CE-CG 3.65Å; M323-F326 PolarHBondContact O-N 2.95Å; S324-F326 VanDerWaalsContact C-N 3.34Å; S324-F326 PolarHBondContact O-N 2.93Å; F326-D328 VanDerWaalsContact C-N 3.32Å; F326-D328 PolarHBondContact O-N 3.31Å; F326-A329 WeakPolarHBondContact O-CB 3.36Å; F326-A329 PolarHBondContact O-N 3.48Å; F326-W330 HydrophobicContact CE1-CB 4.4Å; F326-W330 HydrophobicContact CE1-CE3 4.31Å; F326-W330 HydrophobicContact CE2-CE3 4.43Å; F326-W330 AromaticContact CZ-CE3 3.74Å; F326-W330 HydrophobicContact CZ-CE3 3.74Å; F326-W330 HydrophobicContact CZ-CZ3 4.38Å; F326-W330 WeakPolarHBondContact O-CB 3.26Å; F326-W330 PolarHBondContact O-N 3.43Å; F326-I334 HydrophobicContact CE2-CD1 4.38Å |
| 327 | N | 97.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 50 Ų | 50 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 178.9 | -73.6 | -41.3 | 0 | 0 | 0 | 112.1 | Q299 M323 S324 K331 | Q299-N327 PolarHBondContact NE2-OD1 3.36Å; Q299-N327 VanDerWaalsContact NE2-OD1 3.09Å; M323-N327 PolarHBondContact O-N 3.45Å; M323-N327 PolarHBondContact O-ND2 3.37Å; M323-N327 VanDerWaalsContact O-ND2 3.12Å; S324-N327 PolarHBondContact O-N 3.48Å; S324-N327 VanDerWaalsContact O-N 3.13Å; N327-K331 WeakPolarHBondContact O-CB 3.43Å; N327-K331 PolarHBondContact O-N 3.43Å; N327-K331 VanDerWaalsContact O-N 3.11Å |
| 328 | D | 96.2 | Very high | 95.6 | Very high | 47 Ų | 47 | 44.4 Ų | 44.4 | 25% | 0.251 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.7 | -47 | 170.4 | -179.8 | 62.6 | 0 | 0 | 0 | 111.7 | S324 A325 F326 W330 K331 R332 | S324-D328 PolarHBondContact O-N 2.97Å; A325-D328 PolarHBondContact O-N 2.99Å; F326-D328 VanDerWaalsContact C-N 3.32Å; F326-D328 PolarHBondContact O-N 3.31Å; D328-W330 VanDerWaalsContact C-N 3.28Å; D328-W330 PolarHBondContact O-N 2.93Å; D328-K331 PolarHBondContact O-N 2.98Å; D328-R332 WeakPolarHBondContact O-CB 2.92Å; D328-R332 PolarHBondContact O-N 3.3Å; D328-R332 IonicContact OD1-NE 3.52Å; D328-R332 IonicContact OD2-CZ 3.56Å; D328-R332 IonicContact OD2-NE 3.35Å; D328-R332 PolarHBondContact OD2-NE 2.85Å; D328-R332 IonicContact OD2-NH2 3.57Å; D328-R332 PolarHBondContact OD2-NH2 2.81Å |
| 329 | A | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.5 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A172 F175 A325 F326 L333 I334 | A172-A329 HydrophobicContact CB-CB 3.71Å; A172-A329 WeakPolarHBondContact O-CB 3.39Å; F175-A329 HydrophobicContact CB-CB 4.26Å; A325-A329 WeakPolarHBondContact O-CB 3.5Å; A325-A329 PolarHBondContact O-N 3.25Å; F326-A329 WeakPolarHBondContact O-CB 3.36Å; F326-A329 PolarHBondContact O-N 3.48Å; A329-L333 WeakPolarHBondContact O-CA 3.47Å; A329-L333 WeakPolarHBondContact O-CB 3.36Å; A329-L333 PolarHBondContact O-N 3.33Å; A329-I334 HydrophobicContact CB-CD1 4.29Å; A329-I334 PolarHBondContact O-N 3.38Å |
| 330 | W | 97.7 | Very high | 95.6 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 5% | 0.045 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -57.9 | -55.2 | 178.2 | -172.7 | -91 | 0 | 0 | 0 | 110.9 | A185 L294 V298 Q299 C302 F326 D328 R332 I334 D335 L338 | A185-W330 HydrophobicContact CB-CH2 4.21Å; A185-W330 HydrophobicContact CB-CZ3 4.11Å; L294-W330 HydrophobicContact CD1-CZ2 4.23Å; V298-W330 HydrophobicContact CB-CH2 4.35Å; V298-W330 HydrophobicContact CB-CZ2 4.32Å; V298-W330 HydrophobicContact CG1-CH2 3.65Å; V298-W330 HydrophobicContact CG1-CZ2 4.04Å; Q299-W330 HydrophobicContact CB-CD2 3.99Å; Q299-W330 VanDerWaalsContact CB-CE2 3.48Å; Q299-W330 HydrophobicContact CB-CG 4.38Å; Q299-W330 HydrophobicContact CB-CH2 4.45Å; Q299-W330 HydrophobicContact CB-CZ2 3.75Å; Q299-W330 HydrophobicContact CG-CD2 3.7Å; Q299-W330 HydrophobicContact CG-CE3 4.38Å; Q299-W330 HydrophobicContact CG-CG 3.7Å; Q299-W330 HydrophobicContact CG-CZ2 4.41Å; C302-W330 HydrophobicContact CB-CE3 4.46Å; C302-W330 HydrophobicContact CB-CH2 4.2Å; C302-W330 HydrophobicContact CB-CZ3 3.68Å; F326-W330 HydrophobicContact CE1-CB 4.4Å; F326-W330 HydrophobicContact CE1-CE3 4.31Å; F326-W330 HydrophobicContact CE2-CE3 4.43Å; F326-W330 AromaticContact CZ-CE3 3.74Å; F326-W330 HydrophobicContact CZ-CE3 3.74Å; F326-W330 HydrophobicContact CZ-CZ3 4.38Å; F326-W330 WeakPolarHBondContact O-CB 3.26Å; F326-W330 PolarHBondContact O-N 3.43Å; D328-W330 VanDerWaalsContact C-N 3.28Å; D328-W330 PolarHBondContact O-N 2.93Å; W330-R332 PolarHBondContact O-N 2.89Å; W330-I334 HydrophobicContact CE3-CB 4.17Å; W330-I334 HydrophobicContact CE3-CD1 4.32Å; W330-I334 HydrophobicContact CE3-CG2 3.82Å; W330-I334 HydrophobicContact CH2-CG2 4.42Å; W330-I334 HydrophobicContact CZ3-CG2 3.75Å; W330-D335 WeakPolarHBondContact O-CB 3.41Å; W330-D335 PolarHBondContact O-N 3.13Å; W330-L338 HydrophobicContact CH2-CD1 3.88Å; W330-L338 HydrophobicContact CZ2-CD1 4.37Å; W330-L338 HydrophobicContact CZ3-CD1 4.44Å |
| 331 | K | 96.2 | Very high | 95.4 | Very high | 166 Ų | 166 | 45.4 Ų | 45.4 | 72% | 0.722 | 22% | 0.219 | S | C | * | . | I | π-helix | trans | -65 | -40.9 | -175.5 | -177.3 | 179.9 | 177.6 | -176.9 | 0 | 113.1 | N327 D328 | N327-K331 WeakPolarHBondContact O-CB 3.43Å; N327-K331 PolarHBondContact O-N 3.43Å; N327-K331 VanDerWaalsContact O-N 3.11Å; D328-K331 PolarHBondContact O-N 2.98Å |
| 332 | R | 93.9 | Very high | 95.4 | Very high | 98 Ų | 98 | 44.5 Ų | 44.5 | 37% | 0.37 | 22% | 0.216 | S | C | . | . | I | π-helix | trans | -96.3 | -28.5 | -168.7 | -174.7 | 165.2 | 54.4 | 79.9 | 2.1 | 113.7 | H169 D328 W330 | H169-R332 PolarHBondContact CD2-NH2 3.12Å; D328-R332 WeakPolarHBondContact O-CB 2.92Å; D328-R332 PolarHBondContact O-N 3.3Å; D328-R332 IonicContact OD1-NE 3.52Å; D328-R332 IonicContact OD2-CZ 3.56Å; D328-R332 IonicContact OD2-NE 3.35Å; D328-R332 PolarHBondContact OD2-NE 2.85Å; D328-R332 IonicContact OD2-NH2 3.57Å; D328-R332 PolarHBondContact OD2-NH2 2.81Å; W330-R332 PolarHBondContact O-N 2.89Å |
| 333 | L | 92 | Very high | 95.3 | Very high | 50 Ų | 50 | 47.3 Ų | 47.3 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -124.7 | -55.8 | -168.7 | -55 | 174.8 | 0 | 0 | 0 | 112.3 | A176 A329 H337 | A176-L333 HydrophobicContact CB-CB 3.61Å; A176-L333 HydrophobicContact CB-CD1 3.6Å; A176-L333 HydrophobicContact CB-CG 4.24Å; A329-L333 WeakPolarHBondContact O-CA 3.47Å; A329-L333 WeakPolarHBondContact O-CB 3.36Å; A329-L333 PolarHBondContact O-N 3.33Å; L333-H337 VanDerWaalsContact O-CB 3.27Å; L333-H337 WeakPolarHBondContact O-CB 3.49Å; L333-H337 PolarHBondContact O-N 3.5Å; L333-H337 VanDerWaalsContact O-N 3.14Å |
| 334 | I | 94.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -73.2 | -51.6 | -171.6 | -56.8 | 171.5 | 0 | 0 | 0 | 111.6 | A176 I181 I182 A185 F326 A329 W330 H337 L338 | A176-I334 HydrophobicContact CB-CG1 4.22Å; I181-I334 HydrophobicContact CG2-CD1 4.29Å; I182-I334 HydrophobicContact CD1-CG1 4.13Å; I182-I334 HydrophobicContact CD1-CG2 4.04Å; A185-I334 HydrophobicContact CB-CG2 4.48Å; F326-I334 HydrophobicContact CE2-CD1 4.38Å; A329-I334 HydrophobicContact CB-CD1 4.29Å; A329-I334 PolarHBondContact O-N 3.38Å; W330-I334 HydrophobicContact CE3-CB 4.17Å; W330-I334 HydrophobicContact CE3-CD1 4.32Å; W330-I334 HydrophobicContact CE3-CG2 3.82Å; W330-I334 HydrophobicContact CH2-CG2 4.42Å; W330-I334 HydrophobicContact CZ3-CG2 3.75Å; I334-H337 WeakPolarHBondContact O-CB 3.18Å; I334-H337 PolarHBondContact O-N 2.9Å; I334-H337 VanDerWaalsContact O-N 3.15Å; I334-L338 HydrophobicContact CG2-CD1 3.81Å; I334-L338 HydrophobicContact CG2-CG 4.19Å; I334-L338 VanDerWaalsContact O-CG 3.32Å; I334-L338 WeakPolarHBondContact O-CG 3.4Å; I334-L338 PolarHBondContact O-N 2.84Å |
| 335 | D | 96.1 | Very high | 94.9 | Very high | 45 Ų | 45 | 50.8 Ų | 50.8 | 24% | 0.241 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 179.1 | 175 | 94.3 | 0 | 0 | 0 | 112 | L294 W330 H337 L338 V339 | L294-D335 HydrophobicContact CD1-CB 4.47Å; L294-D335 WeakPolarHBondContact CD1-OD1 3.48Å; L294-D335 WeakPolarHBondContact CG-OD1 3.44Å; W330-D335 WeakPolarHBondContact O-CB 3.41Å; W330-D335 PolarHBondContact O-N 3.13Å; D335-H337 VanDerWaalsContact C-N 3.29Å; D335-H337 PolarHBondContact O-N 3.05Å; D335-L338 PolarHBondContact O-N 3.33Å; D335-V339 WeakPolarHBondContact O-CB 3.19Å; D335-V339 WeakPolarHBondContact O-CG2 3.49Å; D335-V339 PolarHBondContact O-N 2.89Å |
| 336 | P | 94.6 | Very high | 94.8 | Very high | 55 Ų | 55 | 52.1 Ų | 52.1 | 36% | 0.357 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.3 | -36.7 | 173.9 | -27.4 | 37 | 0 | 0 | 0 | 114.1 | R340 | P336-R340 WeakPolarHBondContact O-CB 3.31Å; P336-R340 PolarHBondContact O-N 3.09Å |
| 337 | H | 92.2 | Very high | 94.8 | Very high | 46 Ų | 46 | 53.3 Ų | 53.3 | 21% | 0.213 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -49.9 | 175.3 | 173.7 | -94.6 | 0 | 0 | 0 | 111.3 | L333 I334 D335 V339 R340 S341 | L333-H337 VanDerWaalsContact O-CB 3.27Å; L333-H337 WeakPolarHBondContact O-CB 3.49Å; L333-H337 PolarHBondContact O-N 3.5Å; L333-H337 VanDerWaalsContact O-N 3.14Å; I334-H337 WeakPolarHBondContact O-CB 3.18Å; I334-H337 PolarHBondContact O-N 2.9Å; I334-H337 VanDerWaalsContact O-N 3.15Å; D335-H337 VanDerWaalsContact C-N 3.29Å; D335-H337 PolarHBondContact O-N 3.05Å; H337-V339 PolarHBondContact O-N 3.48Å; H337-R340 PolarHBondContact O-N 3.06Å; H337-S341 PolarHBondContact O-N 3.18Å |
| 338 | L | 94.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 178.1 | -66.5 | 171.8 | 0 | 0 | 0 | 111.7 | A185 E186 L294 W330 I334 D335 R340 S341 I342 | A185-L338 HydrophobicContact CB-CD1 3.73Å; A185-L338 HydrophobicContact CB-CD2 4.12Å; E186-L338 HydrophobicContact CG-CD2 3.63Å; L294-L338 HydrophobicContact CD1-CB 3.98Å; L294-L338 HydrophobicContact CD1-CD1 3.82Å; W330-L338 HydrophobicContact CH2-CD1 3.88Å; W330-L338 HydrophobicContact CZ2-CD1 4.37Å; W330-L338 HydrophobicContact CZ3-CD1 4.44Å; I334-L338 HydrophobicContact CG2-CD1 3.81Å; I334-L338 HydrophobicContact CG2-CG 4.19Å; I334-L338 VanDerWaalsContact O-CG 3.32Å; I334-L338 WeakPolarHBondContact O-CG 3.4Å; I334-L338 PolarHBondContact O-N 2.84Å; D335-L338 PolarHBondContact O-N 3.33Å; L338-R340 VanDerWaalsContact C-N 3.31Å; L338-R340 PolarHBondContact O-N 3.46Å; L338-S341 PolarHBondContact O-N 2.59Å; L338-I342 WeakPolarHBondContact O-CB 3.33Å; L338-I342 VanDerWaalsContact O-CG1 3.28Å; L338-I342 WeakPolarHBondContact O-CG1 3.25Å; L338-I342 PolarHBondContact O-N 3.4Å |
| 339 | V | 95.8 | Very high | 94.3 | Very high | 31 Ų | 31 | 53.9 Ų | 53.9 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 175.4 | 163.9 | 0 | 0 | 0 | 0 | 111.1 | I292 L294 D335 H337 R343 | I292-V339 HydrophobicContact CB-CG1 4.05Å; I292-V339 HydrophobicContact CB-CG2 4.31Å; I292-V339 HydrophobicContact CD1-CG1 4.46Å; I292-V339 HydrophobicContact CG2-CG2 4.38Å; L294-V339 HydrophobicContact CD2-CG2 4.38Å; L294-V339 HydrophobicContact CG-CG2 4.34Å; D335-V339 WeakPolarHBondContact O-CB 3.19Å; D335-V339 WeakPolarHBondContact O-CG2 3.49Å; D335-V339 PolarHBondContact O-N 2.89Å; H337-V339 PolarHBondContact O-N 3.48Å; V339-R343 WeakPolarHBondContact O-CB 3.31Å; V339-R343 PolarHBondContact O-N 3.41Å |
| 340 | R | 93.3 | Very high | 94.2 | Very high | 174 Ų | 174 | 53.9 Ų | 53.9 | 66% | 0.657 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.9 | -43.7 | 175.6 | -176 | -178.8 | -69.2 | 165.1 | 0.2 | 111.7 | P336 H337 L338 R343 T344 | P336-R340 WeakPolarHBondContact O-CB 3.31Å; P336-R340 PolarHBondContact O-N 3.09Å; H337-R340 PolarHBondContact O-N 3.06Å; L338-R340 VanDerWaalsContact C-N 3.31Å; L338-R340 PolarHBondContact O-N 3.46Å; R340-R343 PolarHBondContact O-N 3.04Å; R340-T344 WeakPolarHBondContact O-CB 3.47Å; R340-T344 PolarHBondContact O-N 3.02Å; R340-T344 PolarHBondContact O-OG1 3.41Å |
| 341 | S | 91.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.6 | -50.2 | 176.9 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | E186 H337 L338 R343 T344 K345 | E186-S341 PolarHBondContact OE1-OG 3.23Å; E186-S341 VanDerWaalsContact OE1-OG 3.05Å; H337-S341 PolarHBondContact O-N 3.18Å; L338-S341 PolarHBondContact O-N 2.59Å; S341-R343 PolarHBondContact O-N 3.44Å; S341-T344 PolarHBondContact O-N 3.38Å; S341-K345 WeakPolarHBondContact O-CG 3.04Å; S341-K345 PolarHBondContact O-N 2.79Å; S341-K345 WeakPolarHBondContact OG-CE 3.28Å; S341-K345 PolarHBondContact OG-NZ 2.75Å |
| 342 | I | 95.1 | Very high | 93.7 | Very high | 23 Ų | 23 | 49.5 Ų | 49.5 | 12% | 0.118 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59 | -46.4 | 176.4 | -66.8 | 166 | 0 | 0 | 0 | 111.1 | C189 A194 V268 I292 L294 L338 T344 K345 L346 | C189-I342 HydrophobicContact CB-CD1 4.32Å; A194-I342 HydrophobicContact CB-CD1 4.2Å; V268-I342 HydrophobicContact CG1-CG2 3.84Å; V268-I342 HydrophobicContact CG2-CG2 4.12Å; I292-I342 HydrophobicContact CD1-CB 4.46Å; I292-I342 HydrophobicContact CD1-CG2 4.03Å; L294-I342 HydrophobicContact CD2-CD1 3.64Å; L338-I342 WeakPolarHBondContact O-CB 3.33Å; L338-I342 VanDerWaalsContact O-CG1 3.28Å; L338-I342 WeakPolarHBondContact O-CG1 3.25Å; L338-I342 PolarHBondContact O-N 3.4Å; I342-T344 VanDerWaalsContact C-N 3.3Å; I342-T344 PolarHBondContact O-N 2.9Å; I342-K345 PolarHBondContact O-N 3.24Å; I342-L346 HydrophobicContact CG2-CD1 4.28Å; I342-L346 WeakPolarHBondContact O-CB 3.12Å; I342-L346 WeakPolarHBondContact O-CG 3.33Å; I342-L346 PolarHBondContact O-N 2.72Å |
| 343 | R | 95.1 | Very high | 93.5 | Very high | 60 Ų | 60 | 46.2 Ų | 46.2 | 23% | 0.226 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 179.4 | -167.7 | -176 | -175.1 | 95.5 | 11.8 | 112 | N280 V290 I292 V339 R340 S341 T347 | N280-R343 PolarHBondContact OD1-NH2 2.98Å; N280-R343 VanDerWaalsContact OD1-NH2 3.09Å; V290-R343 VanDerWaalsContact CB-NH1 3.3Å; I292-R343 HydrophobicContact CD1-CB 3.97Å; V339-R343 WeakPolarHBondContact O-CB 3.31Å; V339-R343 PolarHBondContact O-N 3.41Å; R340-R343 PolarHBondContact O-N 3.04Å; S341-R343 PolarHBondContact O-N 3.44Å; R343-T347 WeakPolarHBondContact O-CB 3.38Å; R343-T347 PolarHBondContact O-N 3.4Å; R343-T347 PolarHBondContact O-OG1 2.79Å |
| 344 | T | 93.5 | Very high | 93.4 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 37% | 0.368 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.5 | -50.3 | 178.3 | -55.2 | 0 | 0 | 0 | 0 | 109.9 | R340 S341 I342 L346 T347 T348 | R340-T344 WeakPolarHBondContact O-CB 3.47Å; R340-T344 PolarHBondContact O-N 3.02Å; R340-T344 PolarHBondContact O-OG1 3.41Å; S341-T344 PolarHBondContact O-N 3.38Å; I342-T344 VanDerWaalsContact C-N 3.3Å; I342-T344 PolarHBondContact O-N 2.9Å; T344-L346 VanDerWaalsContact C-N 3.33Å; T344-L346 PolarHBondContact O-N 3.04Å; T344-T347 PolarHBondContact O-N 2.81Å; T344-T348 PolarHBondContact O-N 3.01Å; T344-T348 PolarHBondContact O-OG1 3.19Å; T344-T348 VanDerWaalsContact O-OG1 3.12Å |
| 345 | K | 92.5 | Very high | 93.2 | Very high | 117 Ų | 117 | 45.4 Ų | 45.4 | 51% | 0.509 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55 | -45.6 | 175.9 | -71.9 | 172.1 | -176.9 | 166.9 | 0 | 112.3 | E186 S341 I342 T347 S349 | E186-K345 IonicContact OE1-NZ 2.75Å; E186-K345 PolarHBondContact OE1-NZ 3.39Å; S341-K345 WeakPolarHBondContact O-CG 3.04Å; S341-K345 PolarHBondContact O-N 2.79Å; S341-K345 WeakPolarHBondContact OG-CE 3.28Å; S341-K345 PolarHBondContact OG-NZ 2.75Å; I342-K345 PolarHBondContact O-N 3.24Å; K345-T347 VanDerWaalsContact C-N 3.35Å; K345-T347 PolarHBondContact O-N 3.14Å; K345-S349 VanDerWaalsContact O-CB 3.24Å; K345-S349 WeakPolarHBondContact O-CB 3.39Å; K345-S349 PolarHBondContact O-N 2.91Å |
| 346 | L | 95.5 | Very high | 92.7 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 174.8 | -80.3 | 176.9 | 0 | 0 | 0 | 112.4 | L196 V268 I271 V276 I342 T344 A350 | L196-L346 HydrophobicContact CD1-CD1 4.31Å; V268-L346 HydrophobicContact CG1-CD1 4Å; V268-L346 HydrophobicContact CG1-CD2 4.03Å; V268-L346 HydrophobicContact CG1-CG 4.15Å; V268-L346 HydrophobicContact CG2-CD1 4.29Å; I271-L346 HydrophobicContact CG2-CD1 4.42Å; I271-L346 HydrophobicContact CG2-CD2 3.65Å; V276-L346 HydrophobicContact CG1-CB 4.3Å; V276-L346 HydrophobicContact CG2-CB 4.47Å; V276-L346 HydrophobicContact CG2-CD2 4.41Å; I342-L346 HydrophobicContact CG2-CD1 4.28Å; I342-L346 WeakPolarHBondContact O-CB 3.12Å; I342-L346 WeakPolarHBondContact O-CG 3.33Å; I342-L346 PolarHBondContact O-N 2.72Å; T344-L346 VanDerWaalsContact C-N 3.33Å; T344-L346 PolarHBondContact O-N 3.04Å; L346-A350 WeakPolarHBondContact O-CB 3.2Å; L346-A350 PolarHBondContact O-N 3.48Å |
| 347 | T | 96.2 | Very high | 92.3 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 15% | 0.153 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.5 | -47.6 | -177.6 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | N280 R343 T344 K345 A350 Q351 | N280-T347 PolarHBondContact ND2-OG1 2.83Å; N280-T347 VanDerWaalsContact ND2-OG1 3.11Å; R343-T347 WeakPolarHBondContact O-CB 3.38Å; R343-T347 PolarHBondContact O-N 3.4Å; R343-T347 PolarHBondContact O-OG1 2.79Å; T344-T347 PolarHBondContact O-N 2.81Å; K345-T347 VanDerWaalsContact C-N 3.35Å; K345-T347 PolarHBondContact O-N 3.14Å; T347-A350 PolarHBondContact O-N 2.81Å; T347-Q351 HydrophobicContact CG2-CG 4.45Å; T347-Q351 WeakPolarHBondContact O-CB 3.4Å; T347-Q351 VanDerWaalsContact O-CG 3.29Å; T347-Q351 WeakPolarHBondContact O-CG 3.39Å; T347-Q351 PolarHBondContact O-N 2.95Å |
| 348 | T | 92.5 | Very high | 92.1 | Very high | 53 Ų | 53 | 45 Ų | 45 | 33% | 0.325 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.8 | -50.5 | 176.6 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | T344 A350 Q351 D352 | T344-T348 PolarHBondContact O-N 3.01Å; T344-T348 PolarHBondContact O-OG1 3.19Å; T344-T348 VanDerWaalsContact O-OG1 3.12Å; T348-A350 VanDerWaalsContact C-N 3.27Å; T348-A350 PolarHBondContact O-N 3.23Å; T348-Q351 PolarHBondContact O-N 3.24Å; T348-Q351 VanDerWaalsContact O-N 3.14Å; T348-D352 WeakPolarHBondContact O-CB 3.14Å; T348-D352 PolarHBondContact O-N 3.4Å |
| 349 | S | 92.2 | Very high | 91.9 | Very high | 76 Ų | 76 | 46 Ų | 46 | 53% | 0.531 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.4 | -38 | 177.9 | 176.7 | 0 | 0 | 0 | 0 | 112.7 | K345 A353 | K345-S349 VanDerWaalsContact O-CB 3.24Å; K345-S349 WeakPolarHBondContact O-CB 3.39Å; K345-S349 PolarHBondContact O-N 2.91Å; S349-A353 WeakPolarHBondContact O-CB 3.28Å; S349-A353 PolarHBondContact O-N 3.32Å |
| 350 | A | 94.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.4 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A273 V276 L277 L346 T347 T348 S354 | A273-A350 HydrophobicContact CB-CB 4.01Å; A273-A350 WeakPolarHBondContact O-CB 3.37Å; V276-A350 HydrophobicContact CB-CB 3.76Å; V276-A350 HydrophobicContact CG1-CB 3.88Å; V276-A350 HydrophobicContact CG2-CB 4.42Å; L277-A350 HydrophobicContact CD2-CB 4.07Å; L277-A350 HydrophobicContact CG-CB 4.05Å; L346-A350 WeakPolarHBondContact O-CB 3.2Å; L346-A350 PolarHBondContact O-N 3.48Å; T347-A350 PolarHBondContact O-N 2.81Å; T348-A350 VanDerWaalsContact C-N 3.27Å; T348-A350 PolarHBondContact O-N 3.23Å; A350-S354 WeakPolarHBondContact O-CB 3.39Å; A350-S354 PolarHBondContact O-N 3.46Å; A350-S354 VanDerWaalsContact O-N 3.08Å |
| 351 | Q | 94 | Very high | 91.2 | Very high | 26 Ų | 26 | 39.5 Ų | 39.5 | 12% | 0.121 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.6 | -47.5 | 174.5 | -74.4 | 168.7 | -18.1 | 0 | 0 | 110.5 | L277 T347 T348 A353 S354 L355 D565 | L277-Q351 HydrophobicContact CD2-CG 3.92Å; T347-Q351 HydrophobicContact CG2-CG 4.45Å; T347-Q351 WeakPolarHBondContact O-CB 3.4Å; T347-Q351 VanDerWaalsContact O-CG 3.29Å; T347-Q351 WeakPolarHBondContact O-CG 3.39Å; T347-Q351 PolarHBondContact O-N 2.95Å; T348-Q351 PolarHBondContact O-N 3.24Å; T348-Q351 VanDerWaalsContact O-N 3.14Å; Q351-A353 PolarHBondContact O-N 2.9Å; Q351-S354 CarbonylContact O-C 3.19Å; Q351-S354 PolarHBondContact O-N 3.17Å; Q351-S354 VanDerWaalsContact O-N 3.13Å; Q351-L355 WeakPolarHBondContact O-CB 3.32Å; Q351-L355 PolarHBondContact O-N 2.83Å; Q351-D565 PolarHBondContact NE2-O 3.39Å |
| 352 | D | 89.4 | Confident | 91.2 | Very high | 59 Ų | 59 | 39.1 Ų | 39.1 | 32% | 0.316 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.8 | -48.6 | 177.9 | -66 | -13.4 | 0 | 0 | 0 | 111.2 | T348 S354 L355 E356 | T348-D352 WeakPolarHBondContact O-CB 3.14Å; T348-D352 PolarHBondContact O-N 3.4Å; D352-S354 VanDerWaalsContact C-N 3.27Å; D352-S354 PolarHBondContact O-N 2.74Å; D352-L355 PolarHBondContact O-N 2.83Å; D352-L355 VanDerWaalsContact O-N 3.1Å; D352-E356 PolarHBondContact O-N 2.85Å |
| 353 | A | 89 | Confident | 91 | Very high | 29 Ų | 29 | 41.8 Ų | 41.8 | 24% | 0.24 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.3 | -34.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A273 S349 Q351 V357 | A273-A353 HydrophobicContact CB-CB 4Å; S349-A353 WeakPolarHBondContact O-CB 3.28Å; S349-A353 PolarHBondContact O-N 3.32Å; Q351-A353 PolarHBondContact O-N 2.9Å; A353-V357 WeakPolarHBondContact O-CG2 3.38Å; A353-V357 PolarHBondContact O-N 3.17Å |
| 354 | S | 89.8 | Confident | 90.5 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 8% | 0.077 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73.5 | -34.5 | 174.8 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | A350 Q351 D352 F358 | A350-S354 WeakPolarHBondContact O-CB 3.39Å; A350-S354 PolarHBondContact O-N 3.46Å; A350-S354 VanDerWaalsContact O-N 3.08Å; Q351-S354 CarbonylContact O-C 3.19Å; Q351-S354 PolarHBondContact O-N 3.17Å; Q351-S354 VanDerWaalsContact O-N 3.13Å; D352-S354 VanDerWaalsContact C-N 3.27Å; D352-S354 PolarHBondContact O-N 2.74Å; S354-F358 VanDerWaalsContact O-CB 3.22Å; S354-F358 WeakPolarHBondContact O-CB 3.41Å; S354-F358 PolarHBondContact O-N 2.92Å |
| 355 | L | 89.9 | Confident | 90.2 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 12% | 0.12 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.5 | -36.8 | 179.5 | -168 | 62.5 | 0 | 0 | 0 | 111.4 | Q351 D352 F358 S359 I566 Q570 L571 A574 | Q351-L355 WeakPolarHBondContact O-CB 3.32Å; Q351-L355 PolarHBondContact O-N 2.83Å; D352-L355 PolarHBondContact O-N 2.83Å; D352-L355 VanDerWaalsContact O-N 3.1Å; L355-F358 HydrophobicContact CD1-CD1 4.45Å; L355-F358 PolarHBondContact O-N 3.34Å; L355-S359 VanDerWaalsContact O-CB 3.3Å; L355-S359 WeakPolarHBondContact O-CB 3.25Å; L355-S359 PolarHBondContact O-N 3Å; L355-S359 PolarHBondContact O-OG 3.34Å; L355-I566 HydrophobicContact CB-CD1 4.4Å; L355-I566 HydrophobicContact CD1-CD1 4.23Å; L355-I566 HydrophobicContact CD1-CG2 4.3Å; L355-Q570 HydrophobicContact CD2-CB 4.38Å; L355-L571 HydrophobicContact CD1-CD1 4.21Å; L355-A574 HydrophobicContact CD1-CB 3.48Å; L355-A574 VanDerWaalsContact CD1-CB 3.48Å; L355-A574 HydrophobicContact CD2-CB 3.97Å; L355-A574 HydrophobicContact CG-CB 3.77Å |
| 356 | E | 86.7 | Confident | 90 | Very high | 118 Ų | 118 | 33 Ų | 33 | 55% | 0.551 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -62.2 | -50.4 | 174.2 | -172.9 | -178.4 | -179 | 0 | 0 | 111.1 | D352 F358 S359 E360 | D352-E356 PolarHBondContact O-N 2.85Å; E356-F358 VanDerWaalsContact C-N 3.32Å; E356-F358 PolarHBondContact O-N 2.86Å; E356-S359 PolarHBondContact O-N 2.82Å; E356-E360 PolarHBondContact O-N 3.28Å |
| 357 | V | 85 | Confident | 89.7 | Confident | 19 Ų | 19 | 32.7 Ų | 32.7 | 12% | 0.115 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.5 | -42.1 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | A353 S359 N361 V837 T839 | A353-V357 WeakPolarHBondContact O-CG2 3.38Å; A353-V357 PolarHBondContact O-N 3.17Å; V357-S359 VanDerWaalsContact C-N 3.33Å; V357-S359 PolarHBondContact O-N 2.86Å; V357-N361 WeakPolarHBondContact O-CB 3.43Å; V357-N361 PolarHBondContact O-N 3.35Å; V357-N361 PolarHBondContact O-ND2 3.48Å; V357-V837 WeakPolarHBondContact CG1-O 3.45Å; V357-T839 HydrophobicContact CG2-CG2 3.9Å |
| 358 | F | 88.9 | Confident | 89.2 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 175.5 | 172.6 | -79.6 | 0 | 0 | 0 | 111.5 | S354 L355 E356 N361 L362 V559 Q563 L571 V575 | S354-F358 VanDerWaalsContact O-CB 3.22Å; S354-F358 WeakPolarHBondContact O-CB 3.41Å; S354-F358 PolarHBondContact O-N 2.92Å; L355-F358 HydrophobicContact CD1-CD1 4.45Å; L355-F358 PolarHBondContact O-N 3.34Å; E356-F358 VanDerWaalsContact C-N 3.32Å; E356-F358 PolarHBondContact O-N 2.86Å; F358-N361 PolarHBondContact O-N 2.92Å; F358-L362 HydrophobicContact CE1-CD2 4.16Å; F358-L362 WeakPolarHBondContact O-CB 3.33Å; F358-L362 PolarHBondContact O-N 3.14Å; F358-V559 HydrophobicContact CD1-CG2 4.35Å; F358-V559 HydrophobicContact CD2-CG2 3.49Å; F358-V559 VanDerWaalsContact CD2-CG2 3.49Å; F358-V559 HydrophobicContact CE1-CG2 4.04Å; F358-V559 HydrophobicContact CE2-CB 4.46Å; F358-V559 HydrophobicContact CE2-CG2 3.15Å; F358-V559 HydrophobicContact CG-CG2 4.07Å; F358-V559 HydrophobicContact CZ-CG2 3.44Å; F358-V559 VanDerWaalsContact CZ-CG2 3.44Å; F358-Q563 HydrophobicContact CD2-CB 4.25Å; F358-Q563 HydrophobicContact CE2-CB 4.19Å; F358-L571 HydrophobicContact CD1-CD1 4.04Å; F358-L571 HydrophobicContact CD2-CD1 4.08Å; F358-L571 HydrophobicContact CE1-CD1 3.75Å; F358-L571 HydrophobicContact CE2-CD1 3.74Å; F358-L571 HydrophobicContact CG-CD1 4.24Å; F358-L571 HydrophobicContact CZ-CD1 3.59Å; F358-V575 HydrophobicContact CE1-CG2 3.37Å; F358-V575 HydrophobicContact CZ-CG2 3.54Å |
| 359 | S | 90.2 | Very high | 88.6 | Confident | 23 Ų | 23 | 30 Ų | 30 | 16% | 0.161 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.1 | -42.9 | -177.3 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | L355 E356 V357 L362 R363 | L355-S359 VanDerWaalsContact O-CB 3.3Å; L355-S359 WeakPolarHBondContact O-CB 3.25Å; L355-S359 PolarHBondContact O-N 3Å; L355-S359 PolarHBondContact O-OG 3.34Å; E356-S359 PolarHBondContact O-N 2.82Å; V357-S359 VanDerWaalsContact C-N 3.33Å; V357-S359 PolarHBondContact O-N 2.86Å; S359-L362 PolarHBondContact O-N 3Å; S359-R363 VanDerWaalsContact O-CB 3.31Å; S359-R363 WeakPolarHBondContact O-CB 3.35Å; S359-R363 PolarHBondContact O-N 2.98Å |
| 360 | E | 86.5 | Confident | 88.2 | Confident | 66 Ų | 66 | 26.5 Ų | 26.5 | 31% | 0.308 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -65.7 | -41.8 | 175.6 | 178.4 | 57.3 | -160.1 | 0 | 0 | 111.9 | E356 L362 R363 R364 | E356-E360 PolarHBondContact O-N 3.28Å; E360-L362 VanDerWaalsContact C-N 3.34Å; E360-L362 PolarHBondContact O-N 3.2Å; E360-R363 PolarHBondContact O-N 3.42Å; E360-R364 WeakPolarHBondContact O-CG 3.42Å; E360-R364 PolarHBondContact O-N 3.44Å; E360-R364 WeakPolarHBondContact OE1-CD 3.35Å; E360-R364 IonicContact OE1-NE 3.78Å; E360-R364 PolarHBondContact OE1-NE 2.93Å |
| 361 | N | 88.3 | Confident | 87.6 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 174.1 | -72.7 | -13.9 | 0 | 0 | 0 | 111.1 | V357 F358 R364 L365 V559 N836 V837 L896 | V357-N361 WeakPolarHBondContact O-CB 3.43Å; V357-N361 PolarHBondContact O-N 3.35Å; V357-N361 PolarHBondContact O-ND2 3.48Å; F358-N361 PolarHBondContact O-N 2.92Å; N361-R364 PolarHBondContact O-N 3.02Å; N361-L365 WeakPolarHBondContact O-CB 3.42Å; N361-L365 PolarHBondContact O-N 3.28Å; N361-V559 HydrophobicContact CB-CB 4.16Å; N361-V559 PolarHBondContact ND2-O 3.09Å; N361-N836 PolarHBondContact ND2-OD1 3.11Å; N361-V837 PolarHBondContact ND2-O 3.33Å; N361-L896 HydrophobicContact CB-CD2 4.19Å; N361-L896 WeakPolarHBondContact O-CD2 3.32Å |
| 362 | L | 90.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.1 | -47.6 | 177.5 | -177.8 | 56.4 | 0 | 0 | 0 | 111.4 | F358 S359 E360 R364 L365 L366 L557 V559 V575 V578 | F358-L362 HydrophobicContact CE1-CD2 4.16Å; F358-L362 WeakPolarHBondContact O-CB 3.33Å; F358-L362 PolarHBondContact O-N 3.14Å; S359-L362 PolarHBondContact O-N 3Å; E360-L362 VanDerWaalsContact C-N 3.34Å; E360-L362 PolarHBondContact O-N 3.2Å; L362-R364 VanDerWaalsContact C-N 3.28Å; L362-R364 PolarHBondContact O-N 3.48Å; L362-L365 PolarHBondContact O-N 3.09Å; L362-L365 VanDerWaalsContact O-N 3.13Å; L362-L366 HydrophobicContact CD1-CD1 4.03Å; L362-L366 HydrophobicContact CD1-CD2 4.29Å; L362-L366 HydrophobicContact CD1-CG 3.9Å; L362-L366 HydrophobicContact CG-CD1 3.94Å; L362-L366 HydrophobicContact CG-CG 4.21Å; L362-L366 WeakPolarHBondContact O-CG 3.29Å; L362-L366 PolarHBondContact O-N 3.02Å; L362-L557 HydrophobicContact CD1-CD1 3.85Å; L362-L557 HydrophobicContact CD1-CD2 4.16Å; L362-L557 HydrophobicContact CD1-CG 4.46Å; L362-L557 HydrophobicContact CD2-CD1 3.97Å; L362-V559 HydrophobicContact CB-CG2 4.06Å; L362-V559 HydrophobicContact CD1-CG1 4.47Å; L362-V575 HydrophobicContact CD2-CB 4.24Å; L362-V575 HydrophobicContact CD2-CG1 4.07Å; L362-V575 HydrophobicContact CD2-CG2 3.91Å; L362-V578 HydrophobicContact CB-CG1 4.14Å; L362-V578 HydrophobicContact CD2-CB 4.09Å; L362-V578 HydrophobicContact CD2-CG1 4.02Å; L362-V578 HydrophobicContact CG-CB 4.48Å; L362-V578 HydrophobicContact CG-CG1 3.86Å |
| 363 | R | 90.3 | Very high | 85.6 | Confident | 79 Ų | 79 | 27.9 Ų | 27.9 | 30% | 0.298 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -54.1 | -47.7 | 179.5 | -175.6 | 179.6 | -175.9 | -88.8 | -3.6 | 110.7 | S359 E360 L365 L366 M367 V578 E581 | S359-R363 VanDerWaalsContact O-CB 3.31Å; S359-R363 WeakPolarHBondContact O-CB 3.35Å; S359-R363 PolarHBondContact O-N 2.98Å; E360-R363 PolarHBondContact O-N 3.42Å; R363-L365 PolarHBondContact O-N 3.25Å; R363-L366 PolarHBondContact O-N 2.95Å; R363-M367 HydrophobicContact CG-CG 4.41Å; R363-M367 VanDerWaalsContact O-CB 3.29Å; R363-M367 WeakPolarHBondContact O-CB 3.45Å; R363-M367 WeakPolarHBondContact O-CG 3.46Å; R363-M367 PolarHBondContact O-N 3.39Å; R363-V578 HydrophobicContact CB-CG1 3.84Å; R363-E581 IonicContact CZ-OE1 3.6Å; R363-E581 IonicContact NE-OE1 3.24Å; R363-E581 PolarHBondContact NE-OE1 3.05Å; R363-E581 IonicContact NH2-OE1 3.74Å; R363-E581 PolarHBondContact NH2-OE1 3.41Å |
| 364 | R | 85.3 | Confident | 83.9 | Confident | 16 Ų | 16 | 29.9 Ų | 29.9 | 6% | 0.06 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 177.7 | -74.6 | 177.6 | 156.7 | -105 | -21.4 | 113.6 | E360 N361 L362 L366 M367 T368 F810 R895 L896 D898 | E360-R364 WeakPolarHBondContact O-CG 3.42Å; E360-R364 PolarHBondContact O-N 3.44Å; E360-R364 WeakPolarHBondContact OE1-CD 3.35Å; E360-R364 IonicContact OE1-NE 3.78Å; E360-R364 PolarHBondContact OE1-NE 2.93Å; N361-R364 PolarHBondContact O-N 3.02Å; L362-R364 VanDerWaalsContact C-N 3.28Å; L362-R364 PolarHBondContact O-N 3.48Å; R364-L366 VanDerWaalsContact C-N 3.34Å; R364-M367 CarbonylContact O-C 3.52Å; R364-M367 PolarHBondContact O-N 2.91Å; R364-T368 PolarHBondContact O-N 2.94Å; R364-T368 VanDerWaalsContact O-N 3.14Å; R364-T368 PolarHBondContact O-OG1 2.89Å; R364-F810 HydrophobicContact CB-CE2 4.49Å; R364-F810 HydrophobicContact CG-CE2 4.31Å; R364-F810 HydrophobicContact CG-CZ 4.26Å; R364-F810 VanDerWaalsContact CZ-CZ 3.47Å; R364-F810 VanDerWaalsContact NH1-CZ 3.34Å; R364-R895 VanDerWaalsContact NH1-C 3.31Å; R364-L896 HydrophobicContact CB-CB 4.11Å; R364-L896 HydrophobicContact CB-CD2 4.18Å; R364-L896 WeakPolarHBondContact CD-O 3.38Å; R364-L896 PolarHBondContact NH1-O 3.18Å; R364-D898 IonicContact CZ-OD1 3.38Å; R364-D898 IonicContact NH1-OD1 2.83Å; R364-D898 PolarHBondContact NH1-OD1 3.3Å |
| 365 | L | 86.3 | Confident | 81.8 | Confident | 36 Ų | 36 | 33.2 Ų | 33.2 | 19% | 0.188 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 177.6 | -175.2 | 63.5 | 0 | 0 | 0 | 111.3 | N361 L362 R363 T368 L549 V559 L896 | N361-L365 WeakPolarHBondContact O-CB 3.42Å; N361-L365 PolarHBondContact O-N 3.28Å; L362-L365 PolarHBondContact O-N 3.09Å; L362-L365 VanDerWaalsContact O-N 3.13Å; R363-L365 PolarHBondContact O-N 3.25Å; L365-T368 WeakPolarHBondContact O-CB 3.19Å; L365-T368 PolarHBondContact O-N 3.48Å; L365-T368 PolarHBondContact O-OG1 3.17Å; L365-L549 HydrophobicContact CD1-CD1 4.2Å; L365-L549 HydrophobicContact CD2-CD1 3.5Å; L365-L549 HydrophobicContact CG-CD1 3.45Å; L365-L549 VanDerWaalsContact CG-CD1 3.45Å; L365-V559 HydrophobicContact CD2-CG1 3.65Å; L365-L896 HydrophobicContact CB-CD2 4.18Å |
| 366 | L | 89.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.6 | -32.5 | 177.3 | -66.2 | -176.7 | 0 | 0 | 0 | 112.9 | L362 R363 R364 T368 L546 L549 V578 M579 C582 | L362-L366 HydrophobicContact CD1-CD1 4.03Å; L362-L366 HydrophobicContact CD1-CD2 4.29Å; L362-L366 HydrophobicContact CD1-CG 3.9Å; L362-L366 HydrophobicContact CG-CD1 3.94Å; L362-L366 HydrophobicContact CG-CG 4.21Å; L362-L366 WeakPolarHBondContact O-CG 3.29Å; L362-L366 PolarHBondContact O-N 3.02Å; R363-L366 PolarHBondContact O-N 2.95Å; R364-L366 VanDerWaalsContact C-N 3.34Å; L366-T368 PolarHBondContact O-N 2.89Å; L366-L546 HydrophobicContact CB-CD1 3.81Å; L366-L546 HydrophobicContact CD1-CD1 4.39Å; L366-L546 HydrophobicContact CD2-CD1 4.14Å; L366-L546 HydrophobicContact CG-CD1 4.32Å; L366-L549 HydrophobicContact CD2-CB 3.82Å; L366-L549 HydrophobicContact CD2-CD1 4.16Å; L366-V578 HydrophobicContact CD1-CG1 4.23Å; L366-M579 HydrophobicContact CD1-CG 3.86Å; L366-C582 HydrophobicContact CB-CB 4.1Å; L366-C582 HydrophobicContact CD1-CB 4.26Å |
| 367 | M | 88.7 | Confident | 76.7 | Confident | 22 Ų | 22 | 35.7 Ų | 35.7 | 11% | 0.108 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 7.8 | 177.2 | -65.6 | -59.7 | -68.6 | 0 | 0 | 113.5 | R363 R364 A369 C582 V586 E805 R806 C809 | R363-M367 HydrophobicContact CG-CG 4.41Å; R363-M367 VanDerWaalsContact O-CB 3.29Å; R363-M367 WeakPolarHBondContact O-CB 3.45Å; R363-M367 WeakPolarHBondContact O-CG 3.46Å; R363-M367 PolarHBondContact O-N 3.39Å; R364-M367 CarbonylContact O-C 3.52Å; R364-M367 PolarHBondContact O-N 2.91Å; M367-A369 PolarHBondContact O-N 3.3Å; M367-C582 HydrophobicContact SD-CB 3.98Å; M367-V586 HydrophobicContact CE-CG2 3.98Å; M367-V586 HydrophobicContact SD-CG2 3.72Å; M367-E805 HydrophobicContact CE-CB 4.43Å; M367-R806 HydrophobicContact CB-CG 4.42Å; M367-R806 HydrophobicContact CE-CG 3.77Å; M367-R806 WeakPolarHBondContact O-CB 3.31Å; M367-R806 WeakPolarHBondContact O-CG 3.47Å; M367-R806 HydrophobicContact SD-CG 4.09Å; M367-C809 WeakPolarHBondContact O-CB 3.35Å |
| 368 | T | 84.1 | Confident | 73.9 | Confident | 12 Ų | 12 | 42.7 Ų | 42.7 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -65.4 | 130.9 | 172.5 | -66.2 | 0 | 0 | 0 | 0 | 109.8 | R364 L365 L366 P545 F810 | R364-T368 PolarHBondContact O-N 2.94Å; R364-T368 VanDerWaalsContact O-N 3.14Å; R364-T368 PolarHBondContact O-OG1 2.89Å; L365-T368 WeakPolarHBondContact O-CB 3.19Å; L365-T368 PolarHBondContact O-N 3.48Å; L365-T368 PolarHBondContact O-OG1 3.17Å; L366-T368 PolarHBondContact O-N 2.89Å; T368-P545 HydrophobicContact CG2-CG 3.79Å; T368-F810 HydrophobicContact CG2-CB 4.48Å; T368-F810 WeakPolarHBondContact CG2-O 3.46Å |
| 369 | A | 80.5 | Confident | 71.1 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 138.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M367 R806 C809 | M367-A369 PolarHBondContact O-N 3.3Å; A369-R806 VanDerWaalsContact CB-O 3.3Å; A369-R806 WeakPolarHBondContact CB-O 3.4Å; A369-C809 WeakPolarHBondContact CB-O 3.41Å; A369-C809 PolarHBondContact N-O 3.4Å |
| 370 | P | 83.2 | Confident | 68 | Low | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 146.6 | 170.9 | 29.6 | -34 | 0 | 0 | 0 | 110.4 | R372 Q543 D544 | P370-R372 PolarHBondContact O-N 3.45Å; P370-Q543 CarbonylContact C-O 3.39Å; P370-Q543 WeakPolarHBondContact CA-O 3.19Å; P370-Q543 WeakPolarHBondContact CB-O 3.44Å; P370-D544 HydrophobicContact CB-CB 4.28Å |
| 371 | L | 82.4 | Confident | 65.2 | Low | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | trans | -77.1 | 111.7 | 179.7 | -173 | 71.3 | 0 | 0 | 0 | 110.5 | R401 L402 V404 T472 L542 Q543 F814 | L371-R401 WeakPolarHBondContact O-CA 3.43Å; L371-L402 HydrophobicContact CD1-CD1 4.48Å; L371-L402 HydrophobicContact CD2-CB 4.22Å; L371-L402 HydrophobicContact CD2-CD1 3.94Å; L371-L402 HydrophobicContact CG-CB 4.49Å; L371-L402 HydrophobicContact CG-CD1 3.94Å; L371-L402 PolarHBondContact O-N 3.22Å; L371-V404 HydrophobicContact CD2-CG2 4.47Å; L371-T472 HydrophobicContact CD2-CG2 3.78Å; L371-L542 WeakPolarHBondContact CB-O 3.29Å; L371-L542 HydrophobicContact CD2-CD2 4.38Å; L371-L542 HydrophobicContact CD2-CG 4.21Å; L371-Q543 PolarHBondContact N-O 3.22Å; L371-F814 HydrophobicContact CD1-CE2 4.32Å; L371-F814 HydrophobicContact CD1-CZ 3.98Å; L371-F814 HydrophobicContact CD2-CZ 4.31Å | ||
| 372 | R | 74.3 | Confident | 62.2 | Low | 26 Ų | 26 | 60.1 Ų | 60.1 | 10% | 0.098 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -111.7 | 163.6 | 179.9 | -51.2 | -175.2 | -174.7 | -170.9 | 1.6 | 113.3 | P370 I391 S395 D400 D804 | P370-R372 PolarHBondContact O-N 3.45Å; R372-I391 HydrophobicContact CB-CG2 3.77Å; R372-I391 HydrophobicContact CG-CG2 4.13Å; R372-S395 PolarHBondContact NH1-O 3.4Å; R372-D400 CarbonylContact C-O 3.51Å; R372-D400 WeakPolarHBondContact CA-O 3.37Å; R372-D400 WeakPolarHBondContact CB-O 3.37Å; R372-D804 IonicContact NH2-OD2 3.93Å; R372-D804 PolarHBondContact NH2-OD2 3.2Å |
| 373 | I | 67 | Low | 59.1 | Low | 83 Ų | 83 | 70.2 Ų | 70.2 | 43% | 0.426 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 126.7 | 171.2 | -60.8 | 160.4 | 0 | 0 | 0 | 108.4 | V375 D400 L402 | I373-V375 PolarHBondContact O-N 3.25Å; I373-D400 WeakPolarHBondContact CG1-O 3.38Å; I373-D400 PolarHBondContact N-O 2.9Å; I373-L402 HydrophobicContact CB-CD2 4.32Å; I373-L402 HydrophobicContact CG1-CD2 3.59Å; I373-L402 HydrophobicContact CG1-CG 4.33Å |
| 374 | P | 54.1 | Low | 56.2 | Low | 71 Ų | 71 | 71.8 Ų | 71.8 | 46% | 0.461 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -65 | 123.4 | 171.8 | 19.2 | -21.1 | 0 | 0 | 0 | 108.8 | S376 | P374-S376 PolarHBondContact O-N 3.46Š|
| 375 | V | 45.9 | Very low | 53.5 | Low | 80 Ų | 80 | 79.7 Ų | 79.7 | 49% | 0.485 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 122 | 175.2 | 176.7 | 0 | 0 | 0 | 0 | 107.1 | I373 S377 S392 | I373-V375 PolarHBondContact O-N 3.25Å; V375-S377 VanDerWaalsContact C-N 3.35Å; V375-S377 PolarHBondContact O-N 3.48Å; V375-S392 VanDerWaalsContact CB-CB 3.48Å; V375-S392 WeakPolarHBondContact CB-OG 3.39Å; V375-S392 WeakPolarHBondContact CG2-OG 3.14Å |
| 376 | S | 36.2 | Very low | 51 | Low | 98 Ų | 98 | 85.4 Ų | 85.4 | 69% | 0.685 | 48% | 0.478 | S | S | * | . | trans | -62.7 | 100.1 | 169.5 | 54 | 0 | 0 | 0 | 0 | 107.7 | P374 N378 | P374-S376 PolarHBondContact O-N 3.46Å; S376-N378 PolarHBondContact O-N 3.17Å; S376-N378 VanDerWaalsContact O-N 3.16Å | ||
| 377 | S | 31.9 | Very low | 48.2 | Very low | 96 Ų | 96 | 91.5 Ų | 91.5 | 67% | 0.671 | 51% | 0.511 | S | S | * | . | trans | -58 | 118.3 | 161.2 | 47.7 | 0 | 0 | 0 | 0 | 106.8 | V375 D379 | V375-S377 VanDerWaalsContact C-N 3.35Å; V375-S377 PolarHBondContact O-N 3.48Å; S377-D379 PolarHBondContact O-N 3.47Å | ||
| 378 | N | 27.8 | Very low | 45.7 | Very low | 166 Ų | 166 | 96.7 Ų | 96.7 | 89% | 0.888 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -65.2 | 21.5 | 170.1 | -87.4 | -15.6 | 0 | 0 | 0 | 112.9 | S376 | S376-N378 PolarHBondContact O-N 3.17Å; S376-N378 VanDerWaalsContact O-N 3.16Å |
| 379 | D | 28.6 | Very low | 43.3 | Very low | 116 Ų | 116 | 98 Ų | 98 | 62% | 0.62 | 55% | 0.553 | S | S | * | * | trans | -97.7 | 104.8 | 177.9 | -143.4 | -19 | 0 | 0 | 0 | 109.1 | S377 T381 | S377-D379 PolarHBondContact O-N 3.47Å; D379-T381 PolarHBondContact O-N 3.1Å | ||
| 380 | S | 26.1 | Very low | 40.9 | Very low | 122 Ų | 122 | 104.3 Ų | 104.3 | 85% | 0.853 | 58% | 0.583 | S | S | * | * | trans | -75 | 24 | -173.9 | 47.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 381 | T | 26.4 | Very low | 38.6 | Very low | 97 Ų | 97 | 105.6 Ų | 105.6 | 60% | 0.595 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -125.4 | 127.4 | -179 | 59.9 | 0 | 0 | 0 | 0 | 110.4 | D379 | D379-T381 PolarHBondContact O-N 3.1Š|
| 382 | V | 27.2 | Very low | 36.5 | Very low | 124 Ų | 124 | 106.5 Ų | 106.5 | 75% | 0.752 | 60% | 0.597 | S | S | * | * | trans | 82.6 | 71.3 | -177.8 | -158.6 | 0 | 0 | 0 | 0 | 116 | N384 | V382-N384 HydrophobicContact CG1-CB 4.49Å; V382-N384 PolarHBondContact O-N 3.36Å | ||
| 383 | K | 25.3 | Very low | 34.6 | Very low | 212 Ų | 212 | 107.2 Ų | 107.2 | 92% | 0.922 | 61% | 0.605 | S | S | * | * | trans | -81.7 | 90.3 | 151.6 | -76.8 | -175.3 | 177.5 | 179.1 | 0 | 109.2 | ||||
| 384 | N | 28.1 | Very low | 32.9 | Very low | 112 Ų | 112 | 105.9 Ų | 105.9 | 60% | 0.599 | 61% | 0.607 | S | S | * | * | trans | -85.9 | 116.6 | 161.4 | -99.9 | -18.8 | 0 | 0 | 0 | 108.7 | V382 N386 D387 | V382-N384 HydrophobicContact CG1-CB 4.49Å; V382-N384 PolarHBondContact O-N 3.36Å; N384-N386 PolarHBondContact O-N 3.3Å; N384-D387 PolarHBondContact O-N 3.33Å | ||
| 385 | E | 30.1 | Very low | 31.9 | Very low | 182 Ų | 182 | 105 Ų | 105 | 85% | 0.85 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 5.6 | -175.6 | -73.7 | -174.6 | 147 | 0 | 0 | 115.5 | ||
| 386 | N | 32.9 | Very low | 31.5 | Very low | 156 Ų | 156 | 102.2 Ų | 102.2 | 83% | 0.834 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 1 | 179.2 | -76.6 | -46.1 | 0 | 0 | 0 | 115 | N384 | N384-N386 PolarHBondContact O-N 3.3Š|
| 387 | D | 31.3 | Very low | 31.9 | Very low | 129 Ų | 129 | 99.2 Ų | 99.2 | 69% | 0.69 | 57% | 0.571 | S | S | * | * | trans | -104.3 | 72.3 | 175.5 | -83.9 | -34 | 0 | 0 | 0 | 111.2 | N384 G389 | N384-D387 PolarHBondContact O-N 3.33Å; D387-G389 PolarHBondContact O-N 2.86Å | ||
| 388 | I | 35.6 | Very low | 32.3 | Very low | 131 Ų | 131 | 97.3 Ų | 97.3 | 67% | 0.672 | 56% | 0.556 | S | S | * | * | trans | -86.7 | 94.1 | 172.9 | -55.7 | 175.8 | 0 | 0 | 0 | 108.3 | ||||
| 389 | G | 33.5 | Very low | 33.3 | Very low | 38 Ų | 38 | 91.1 Ų | 91.1 | 39% | 0.392 | 53% | 0.531 | S | S | . | . | trans | 121.6 | 65.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | D387 | D387-G389 PolarHBondContact O-N 2.86Š| ||
| 390 | M | 30.8 | Very low | 35 | Very low | 141 Ų | 141 | 87.4 Ų | 87.4 | 70% | 0.695 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -81.4 | 122.3 | 154.6 | -81.5 | -105.1 | 58.7 | 0 | 0 | 108.6 | ||
| 391 | I | 35.9 | Very low | 37.4 | Very low | 31 Ų | 31 | 84.2 Ų | 84.2 | 16% | 0.159 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -95 | 127.3 | -173.3 | -52.3 | 177.3 | 0 | 0 | 0 | 108.2 | R372 Q807 T811 | R372-I391 HydrophobicContact CB-CG2 3.77Å; R372-I391 HydrophobicContact CG-CG2 4.13Å; I391-Q807 PolarHBondContact O-NE2 3.38Å; I391-T811 HydrophobicContact CD1-CG2 3.79Å |
| 392 | S | 37.7 | Very low | 40.3 | Very low | 26 Ų | 26 | 80.9 Ų | 80.9 | 18% | 0.182 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 151.4 | -172 | -174.5 | 0 | 0 | 0 | 0 | 114.7 | V375 A394 Q807 | V375-S392 VanDerWaalsContact CB-CB 3.48Å; V375-S392 WeakPolarHBondContact CB-OG 3.39Å; V375-S392 WeakPolarHBondContact CG2-OG 3.14Å; S392-A394 PolarHBondContact OG-N 3.07Å; S392-Q807 VanDerWaalsContact C-NE2 3.33Å |
| 393 | S | 33.8 | Very low | 43.4 | Very low | 40 Ų | 40 | 76.2 Ų | 76.2 | 28% | 0.28 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -87.5 | -0.3 | 178 | 47.4 | 0 | 0 | 0 | 0 | 114.7 | P800 Q807 | S393-P800 VanDerWaalsContact O-CG 3.26Å; S393-P800 WeakPolarHBondContact O-CG 3.32Å; S393-Q807 VanDerWaalsContact CA-OE1 3.26Å |
| 394 | A | 31.7 | Very low | 46.8 | Very low | 56 Ų | 56 | 66.1 Ų | 66.1 | 46% | 0.463 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -103.1 | 118.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S392 | S392-A394 PolarHBondContact OG-N 3.07Š|
| 395 | S | 33.6 | Very low | 50.1 | Low | 52 Ų | 52 | 60.8 Ų | 60.8 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | trans | 80.2 | 99.6 | 177.4 | 179.2 | 0 | 0 | 0 | 0 | 116.6 | R372 A397 D400 | R372-S395 PolarHBondContact NH1-O 3.4Å; S395-A397 PolarHBondContact O-N 3.07Å; S395-A397 VanDerWaalsContact OG-CB 3.32Å; S395-A397 WeakPolarHBondContact OG-CB 3.46Å; S395-A397 PolarHBondContact OG-N 3.44Å; S395-D400 WeakPolarHBondContact CB-OD2 3.42Å; S395-D400 VanDerWaalsContact OG-CG 3.23Å; S395-D400 PolarHBondContact OG-OD1 3.47Å; S395-D400 PolarHBondContact OG-OD2 3.31Å | ||
| 396 | G | 37.7 | Very low | 53.3 | Low | 21 Ų | 21 | 52.1 Ų | 52.1 | 22% | 0.216 | 32% | 0.319 | C | S | . | . | trans | -81.1 | 22.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K649 D802 | G396-K649 PolarHBondContact O-NZ 3.21Å; G396-D802 VanDerWaalsContact C-OD2 3.31Å; G396-D802 VanDerWaalsContact CA-OD2 3.27Å; G396-D802 WeakPolarHBondContact CA-OD2 3.48Å | ||
| 397 | A | 43 | Very low | 56.4 | Low | 35 Ų | 35 | 44.7 Ų | 44.7 | 29% | 0.289 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -71.4 | 142.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S395 G399 D400 | S395-A397 PolarHBondContact O-N 3.07Å; S395-A397 VanDerWaalsContact OG-CB 3.32Å; S395-A397 WeakPolarHBondContact OG-CB 3.46Å; S395-A397 PolarHBondContact OG-N 3.44Å; A397-G399 PolarHBondContact O-N 3.03Å; A397-D400 WeakPolarHBondContact O-CB 3.29Å; A397-D400 PolarHBondContact O-N 3.49Å |
| 398 | P | 42 | Very low | 59.4 | Low | 56 Ų | 56 | 39.6 Ų | 39.6 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -51.1 | -21.1 | 172.3 | -28.6 | 35.4 | 0 | 0 | 0 | 114.5 | D400 H423 | P398-D400 VanDerWaalsContact C-N 3.28Å; P398-D400 PolarHBondContact O-N 3.36Å; P398-H423 WeakPolarHBondContact CB-ND1 3.06Å |
| 399 | G | 48.1 | Very low | 62.1 | Low | 36 Ų | 36 | 33.7 Ų | 33.7 | 37% | 0.371 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -73 | -11.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A397 R401 | A397-G399 PolarHBondContact O-N 3.03Å; G399-R401 VanDerWaalsContact C-N 3.33Å |
| 400 | D | 63.9 | Low | 64.7 | Low | 38 Ų | 38 | 32.7 Ų | 32.7 | 20% | 0.203 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -86.4 | -5.8 | -177.7 | -73.7 | 50.2 | 0 | 0 | 0 | 113.3 | R372 I373 S395 A397 P398 | R372-D400 CarbonylContact C-O 3.51Å; R372-D400 WeakPolarHBondContact CA-O 3.37Å; R372-D400 WeakPolarHBondContact CB-O 3.37Å; I373-D400 WeakPolarHBondContact CG1-O 3.38Å; I373-D400 PolarHBondContact N-O 2.9Å; S395-D400 WeakPolarHBondContact CB-OD2 3.42Å; S395-D400 VanDerWaalsContact OG-CG 3.23Å; S395-D400 PolarHBondContact OG-OD1 3.47Å; S395-D400 PolarHBondContact OG-OD2 3.31Å; A397-D400 WeakPolarHBondContact O-CB 3.29Å; A397-D400 PolarHBondContact O-N 3.49Å; P398-D400 VanDerWaalsContact C-N 3.28Å; P398-D400 PolarHBondContact O-N 3.36Å |
| 401 | R | 77.2 | Confident | 67.1 | Low | 56 Ų | 56 | 30 Ų | 30 | 21% | 0.211 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -76.9 | 154.2 | -179.4 | -65.6 | 174.8 | -171.9 | -164.4 | -4 | 110.9 | L371 G399 P422 D544 | L371-R401 WeakPolarHBondContact O-CA 3.43Å; G399-R401 VanDerWaalsContact C-N 3.33Å; R401-P422 HydrophobicContact CB-CB 4.27Å; R401-P422 VanDerWaalsContact CB-O 3.24Å; R401-P422 WeakPolarHBondContact CB-O 3.49Å; R401-P422 WeakPolarHBondContact CD-O 3.46Å; R401-P422 WeakPolarHBondContact O-CB 3.27Å; R401-P422 WeakPolarHBondContact O-CG 3.41Å; R401-D544 IonicContact CZ-OD2 2.89Å; R401-D544 IonicContact NH1-OD2 3.44Å; R401-D544 IonicContact NH2-OD2 2.81Å; R401-D544 PolarHBondContact NH2-OD2 3.43Å |
| 402 | L | 86 | Confident | 69.4 | Low | 26 Ų | 26 | 39.5 Ų | 39.5 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -82.4 | 145.6 | 174 | -69.8 | 175.4 | 0 | 0 | 0 | 111.5 | L371 I373 Q543 | L371-L402 HydrophobicContact CD1-CD1 4.48Å; L371-L402 HydrophobicContact CD2-CB 4.22Å; L371-L402 HydrophobicContact CD2-CD1 3.94Å; L371-L402 HydrophobicContact CG-CB 4.49Å; L371-L402 HydrophobicContact CG-CD1 3.94Å; L371-L402 PolarHBondContact O-N 3.22Å; I373-L402 HydrophobicContact CB-CD2 4.32Å; I373-L402 HydrophobicContact CG1-CD2 3.59Å; I373-L402 HydrophobicContact CG1-CG 4.33Å; L402-Q543 PolarHBondContact O-NE2 3.46Å |
| 403 | P | 93.1 | Very high | 71.6 | Confident | 26 Ų | 26 | 43.8 Ų | 43.8 | 17% | 0.169 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 144.8 | 163.6 | 30.6 | -33.7 | 0 | 0 | 0 | 109.7 | C420 I470 | P403-C420 CarbonylContact C-O 3.58Å; P403-C420 VanDerWaalsContact CA-O 3.25Å; P403-C420 WeakPolarHBondContact CA-O 3.25Å; P403-C420 WeakPolarHBondContact CB-O 3.44Å; P403-I470 HydrophobicContact CB-CD1 4.37Å; P403-I470 HydrophobicContact CB-CG1 4.01Å; P403-I470 HydrophobicContact CB-CG2 4.41Å; P403-I470 HydrophobicContact CG-CG1 4.29Å |
| 404 | V | 96 | Very high | 74.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 137.1 | -172.4 | 176.3 | 0 | 0 | 0 | 0 | 111 | L371 C420 T472 A474 A539 L542 Q543 | L371-V404 HydrophobicContact CD2-CG2 4.47Å; V404-C420 PolarHBondContact N-O 3.01Å; V404-C420 PolarHBondContact O-N 2.95Å; V404-T472 WeakPolarHBondContact CA-O 3.28Å; V404-T472 HydrophobicContact CG2-CG2 4.22Å; V404-A474 HydrophobicContact CG1-CB 3.85Å; V404-A539 HydrophobicContact CB-CB 4.43Å; V404-A539 HydrophobicContact CG1-CB 4.07Å; V404-L542 HydrophobicContact CG1-CB 4.47Å; V404-L542 HydrophobicContact CG1-CD2 4.14Å; V404-Q543 HydrophobicContact CB-CG 4.17Å; V404-Q543 HydrophobicContact CG2-CG 3.65Å |
| 405 | I | 98.1 | Very high | 77.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 123.1 | 161.4 | -61 | -54.9 | 0 | 0 | 0 | 108.9 | L407 W417 A418 A419 L461 M465 I470 T472 I473 A474 | I405-L407 HydrophobicContact CG2-CD2 3.88Å; I405-L407 HydrophobicContact CG2-CG 4.2Å; I405-W417 HydrophobicContact CG2-CB 4.32Å; I405-A418 CarbonylContact C-O 3.57Å; I405-A418 WeakPolarHBondContact CA-O 3.48Å; I405-A419 HydrophobicContact CD1-CB 3.38Å; I405-L461 HydrophobicContact CD1-CD1 4.16Å; I405-L461 HydrophobicContact CG1-CD1 4.16Å; I405-L461 HydrophobicContact CG2-CD1 3.9Å; I405-M465 HydrophobicContact CD1-CG 4.15Å; I405-M465 HydrophobicContact CG1-CG 3.85Å; I405-M465 HydrophobicContact CG1-SD 4.29Å; I405-I470 HydrophobicContact CD1-CD1 3.8Å; I405-I470 HydrophobicContact CD1-CG2 4.28Å; I405-I470 HydrophobicContact CG1-CG2 3.91Å; I405-T472 PolarHBondContact N-O 2.82Å; I405-I473 HydrophobicContact CB-CG1 4.2Å; I405-I473 HydrophobicContact CG2-CG2 4.46Å; I405-I473 CarbonylContact O-C 3.6Å; I405-I473 WeakPolarHBondContact O-CA 3.36Å; I405-A474 PolarHBondContact O-N 2.9Å |
| 406 | G | 97.6 | Very high | 80.1 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 132.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | W417 A418 A474 | G406-W417 CarbonylContact O-C 3.57Å; G406-W417 WeakPolarHBondContact O-CA 3.21Å; G406-A418 PolarHBondContact N-O 3.48Å; G406-A418 PolarHBondContact O-N 3.39Å; G406-A474 CarbonylContact C-O 3.59Å; G406-A474 WeakPolarHBondContact CA-O 3.3Å |
| 407 | L | 96.8 | Very high | 83 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 118.7 | 174.2 | -63 | -178.6 | 0 | 0 | 0 | 109.9 | I405 P409 K416 W417 I473 A474 L475 G476 T484 L488 | I405-L407 HydrophobicContact CG2-CD2 3.88Å; I405-L407 HydrophobicContact CG2-CG 4.2Å; L407-P409 WeakPolarHBondContact O-CD 3.46Å; L407-K416 CarbonylContact C-O 3.55Å; L407-K416 WeakPolarHBondContact CA-O 3.5Å; L407-W417 HydrophobicContact CD2-CB 3.38Å; L407-W417 HydrophobicContact CD2-CG 4.45Å; L407-I473 HydrophobicContact CD1-CG2 3.48Å; L407-I473 VanDerWaalsContact CD1-CG2 3.48Å; L407-I473 HydrophobicContact CG-CG2 3.73Å; L407-A474 PolarHBondContact N-O 2.92Å; L407-L475 HydrophobicContact CB-CD1 3.95Å; L407-L475 HydrophobicContact CD1-CD1 4.36Å; L407-G476 PolarHBondContact O-N 3.44Å; L407-T484 HydrophobicContact CD1-CG2 4.34Å; L407-L488 HydrophobicContact CD1-CD1 3.47Å; L407-L488 VanDerWaalsContact CD1-CD1 3.47Å; L407-L488 HydrophobicContact CD1-CD2 4.16Å; L407-L488 HydrophobicContact CD1-CG 4.35Å |
| 408 | D | 95.8 | Very high | 85.6 | Confident | 22 Ų | 22 | 35.4 Ų | 35.4 | 12% | 0.118 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 96.7 | 172.2 | -175.5 | 13.8 | 0 | 0 | 0 | 109 | C415 K416 A535 I538 | D408-C415 CarbonylContact O-C 3.59Å; D408-C415 WeakPolarHBondContact O-CA 3.36Å; D408-K416 HydrophobicContact CB-CB 4.29Å; D408-K416 PolarHBondContact N-O 2.86Å; D408-K416 PolarHBondContact O-N 2.88Å; D408-A535 HydrophobicContact CB-CB 4Å; D408-I538 HydrophobicContact CB-CD1 3.78Å |
| 409 | P | 92.2 | Very high | 88.3 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | trans | -66.9 | 144.7 | -172.4 | 29.2 | -34.9 | 0 | 0 | 0 | 112 | L407 L475 G476 Q479 | L407-P409 WeakPolarHBondContact O-CD 3.46Å; P409-L475 HydrophobicContact CG-CD1 4.48Å; P409-G476 WeakPolarHBondContact CG-O 3.43Å; P409-Q479 CarbonylContact C-O 3.55Å; P409-Q479 VanDerWaalsContact C-O 3.25Å; P409-Q479 VanDerWaalsContact O-O 3.11Å | ||
| 410 | G | 87.7 | Confident | 90.6 | Very high | 16 Ų | 16 | 31 Ų | 31 | 17% | 0.165 | 14% | 0.142 | C | C | . | . | trans | -163.4 | 154.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G414 Q479 | G410-G414 WeakPolarHBondContact CA-O 3.09Å; G410-G414 CarbonylContact O-C 3.53Å; G410-Q479 PolarHBondContact N-O 3.3Å | ||
| 411 | W | 80.3 | Confident | 92 | Very high | 86 Ų | 86 | 30.6 Ų | 30.6 | 33% | 0.326 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -91.1 | -75.1 | 180 | -62.1 | 118.7 | 0 | 0 | 0 | 112.3 | N413 G414 W433 H436 Q483 | W411-N413 VanDerWaalsContact C-N 3.28Å; W411-N413 PolarHBondContact O-N 3.14Å; W411-G414 PolarHBondContact O-N 2.93Å; W411-W433 WeakPolarHBondContact O-CZ3 3.2Å; W411-H436 AromaticContact CE3-CE1 3.28Å; W411-H436 AromaticContact CE3-ND1 3.18Å; W411-H436 AromaticContact CH2-ND1 3.91Å; W411-H436 AromaticContact CZ3-CE1 3.58Å; W411-H436 AromaticContact CZ3-ND1 2.96Å; W411-H436 WeakPolarHBondContact CZ3-ND1 3.43Å; W411-Q483 HydrophobicContact CH2-CB 3.79Å; W411-Q483 HydrophobicContact CH2-CG 3.55Å; W411-Q483 HydrophobicContact CZ2-CG 4.21Å; W411-Q483 HydrophobicContact CZ3-CB 4.39Å |
| 412 | R | 84.1 | Confident | 92.6 | Very high | 230 Ų | 230 | 29.5 Ų | 29.5 | 87% | 0.868 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -31.5 | -172.1 | -70.7 | -176.1 | -179.6 | 163.6 | -0.8 | 113.6 | W433 | R412-W433 WeakPolarHBondContact O-CH2 3.38Š|
| 413 | N | 86 | Confident | 92.5 | Very high | 115 Ų | 115 | 33.3 Ų | 33.3 | 62% | 0.615 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 17.1 | -173.4 | -62.2 | -6.2 | 0 | 0 | 0 | 111.7 | W411 K416 | W411-N413 VanDerWaalsContact C-N 3.28Å; W411-N413 PolarHBondContact O-N 3.14Å; N413-K416 VanDerWaalsContact O-CE 3.25Å; N413-K416 WeakPolarHBondContact O-CE 3.36Å; N413-K416 PolarHBondContact O-NZ 3.39Å |
| 414 | G | 88.4 | Confident | 92.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | 64.4 | 173.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G410 W411 K416 W433 | G410-G414 WeakPolarHBondContact CA-O 3.09Å; G410-G414 CarbonylContact O-C 3.53Å; W411-G414 PolarHBondContact O-N 2.93Å; G414-K416 WeakPolarHBondContact O-CD 3.38Å; G414-K416 PolarHBondContact O-NZ 2.93Å; G414-W433 VanDerWaalsContact N-CH2 3.32Å | ||
| 415 | C | 92.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 116.9 | 172.5 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | D408 L432 P434 | D408-C415 CarbonylContact O-C 3.59Å; D408-C415 WeakPolarHBondContact O-CA 3.36Å; C415-L432 HydrophobicContact CB-CB 4.26Å; C415-L432 WeakPolarHBondContact CB-O 3.42Å; C415-L432 PolarHBondContact N-O 2.97Å; C415-L432 PolarHBondContact O-N 3.33Å; C415-P434 HydrophobicContact CB-CG 4.08Å |
| 416 | K | 95.8 | Very high | 92.2 | Very high | 23 Ų | 23 | 38.9 Ų | 38.9 | 10% | 0.1 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 143.2 | -177.4 | -69.1 | 66.6 | 164.2 | -177.2 | 0 | 107.8 | L407 D408 N413 G414 F532 A535 | L407-K416 CarbonylContact C-O 3.55Å; L407-K416 WeakPolarHBondContact CA-O 3.5Å; D408-K416 HydrophobicContact CB-CB 4.29Å; D408-K416 PolarHBondContact N-O 2.86Å; D408-K416 PolarHBondContact O-N 2.88Å; N413-K416 VanDerWaalsContact O-CE 3.25Å; N413-K416 WeakPolarHBondContact O-CE 3.36Å; N413-K416 PolarHBondContact O-NZ 3.39Å; G414-K416 WeakPolarHBondContact O-CD 3.38Å; G414-K416 PolarHBondContact O-NZ 2.93Å; K416-F532 HydrophobicContact CB-CD1 4Å; K416-F532 HydrophobicContact CB-CE1 4.32Å; K416-F532 HydrophobicContact CG-CD1 4.01Å; K416-F532 HydrophobicContact CG-CE1 4.03Å; K416-A535 HydrophobicContact CB-CB 4.31Å |
| 417 | W | 97.3 | Very high | 92.1 | Very high | 6 Ų | 6 | 42 Ų | 42 | 2% | 0.023 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 147.4 | 175.9 | 66.6 | -99.4 | 0 | 0 | 0 | 112 | I405 G406 L407 A419 S428 T429 G430 L461 V464 | I405-W417 HydrophobicContact CG2-CB 4.32Å; G406-W417 CarbonylContact O-C 3.57Å; G406-W417 WeakPolarHBondContact O-CA 3.21Å; L407-W417 HydrophobicContact CD2-CB 3.38Å; L407-W417 HydrophobicContact CD2-CG 4.45Å; W417-A419 HydrophobicContact CZ3-CB 4.35Å; W417-S428 WeakPolarHBondContact CH2-OG 3.47Å; W417-T429 CarbonylContact O-C 3.36Å; W417-T429 VanDerWaalsContact O-CA 3.23Å; W417-T429 WeakPolarHBondContact O-CA 3.48Å; W417-T429 WeakPolarHBondContact O-CB 2.94Å; W417-G430 VanDerWaalsContact CD1-O 3.27Å; W417-G430 VanDerWaalsContact CE2-CA 3.41Å; W417-G430 PolarHBondContact N-O 3.34Å; W417-G430 VanDerWaalsContact NE1-C 3.26Å; W417-G430 PolarHBondContact O-N 2.82Å; W417-L461 HydrophobicContact CD2-CD1 3.86Å; W417-L461 HydrophobicContact CE3-CD1 4Å; W417-L461 HydrophobicContact CG-CD1 4.12Å; W417-V464 HydrophobicContact CH2-CB 4.38Å; W417-V464 HydrophobicContact CH2-CG2 3.93Å; W417-V464 HydrophobicContact CZ3-CG1 4.25Å; W417-V464 HydrophobicContact CZ3-CG2 4.46Å |
| 418 | A | 98.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 126.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | I405 G406 S428 T429 A535 V536 | I405-A418 CarbonylContact C-O 3.57Å; I405-A418 WeakPolarHBondContact CA-O 3.48Å; G406-A418 PolarHBondContact N-O 3.48Å; G406-A418 PolarHBondContact O-N 3.39Å; A418-S428 WeakPolarHBondContact CA-O 3.34Å; A418-T429 HydrophobicContact CB-CG2 3.92Å; A418-A535 HydrophobicContact CB-CB 3.88Å; A418-V536 HydrophobicContact CB-CB 4.46Å; A418-V536 HydrophobicContact CB-CG2 3.62Å |
| 419 | A | 98.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 125.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | I405 W417 L427 S428 V464 I470 | I405-A419 HydrophobicContact CD1-CB 3.38Å; W417-A419 HydrophobicContact CZ3-CB 4.35Å; A419-L427 HydrophobicContact CB-CB 4.04Å; A419-L427 PolarHBondContact O-N 3.04Å; A419-S428 PolarHBondContact N-O 3.4Å; A419-V464 HydrophobicContact CB-CG1 3.73Å; A419-I470 HydrophobicContact CB-CD1 3.91Å |
| 420 | C | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138.1 | 177.1 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | P403 V404 N425 A539 | P403-C420 CarbonylContact C-O 3.58Å; P403-C420 VanDerWaalsContact CA-O 3.25Å; P403-C420 WeakPolarHBondContact CA-O 3.25Å; P403-C420 WeakPolarHBondContact CB-O 3.44Å; V404-C420 PolarHBondContact N-O 3.01Å; V404-C420 PolarHBondContact O-N 2.95Å; C420-N425 CarbonylContact C-O 3.59Å; C420-N425 VanDerWaalsContact CA-O 3.23Å; C420-N425 WeakPolarHBondContact CA-O 3.47Å; C420-A539 HydrophobicContact CB-CB 4.19Å |
| 421 | D | 93.7 | Very high | 92.7 | Very high | 28 Ų | 28 | 47.5 Ų | 47.5 | 15% | 0.15 | 24% | 0.237 | C | C | . | . | trans | -71.5 | 173.6 | 170.4 | 79.8 | -0 | 0 | 0 | 0 | 111.2 | H423 G424 N425 L427 Q543 | D421-H423 PolarHBondContact O-N 2.77Å; D421-H423 VanDerWaalsContact O-N 3.13Å; D421-H423 WeakPolarHBondContact OD1-CA 3.43Å; D421-H423 WeakPolarHBondContact OD1-CB 3.4Å; D421-H423 PolarHBondContact OD1-N 3.39Å; D421-G424 PolarHBondContact O-N 3.38Å; D421-G424 PolarHBondContact OD1-N 3.11Å; D421-N425 PolarHBondContact N-O 2.9Å; D421-N425 PolarHBondContact OD1-N 2.67Å; D421-N425 PolarHBondContact OD1-ND2 3.3Å; D421-N425 WeakPolarHBondContact OD2-CB 3.34Å; D421-N425 PolarHBondContact OD2-ND2 2.91Å; D421-L427 HydrophobicContact CB-CD1 4.08Å; D421-L427 HydrophobicContact CB-CD2 4.07Å; D421-L427 HydrophobicContact CB-CG 4.1Å; D421-Q543 PolarHBondContact O-NE2 3.15Å | ||
| 422 | P | 89.1 | Confident | 93.3 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 22% | 0.221 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -31.7 | 175.3 | -34.3 | 41.7 | 0 | 0 | 0 | 115.5 | R401 G424 | R401-P422 HydrophobicContact CB-CB 4.27Å; R401-P422 VanDerWaalsContact CB-O 3.24Å; R401-P422 WeakPolarHBondContact CB-O 3.49Å; R401-P422 WeakPolarHBondContact CD-O 3.46Å; R401-P422 WeakPolarHBondContact O-CB 3.27Å; R401-P422 WeakPolarHBondContact O-CG 3.41Å; P422-G424 VanDerWaalsContact C-N 3.29Å |
| 423 | H | 85.7 | Confident | 93.5 | Very high | 106 Ų | 106 | 38.3 Ų | 38.3 | 49% | 0.491 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -6.4 | -179.7 | -58.3 | -63.8 | 0 | 0 | 0 | 113 | P398 D421 | P398-H423 WeakPolarHBondContact CB-ND1 3.06Å; D421-H423 PolarHBondContact O-N 2.77Å; D421-H423 VanDerWaalsContact O-N 3.13Å; D421-H423 WeakPolarHBondContact OD1-CA 3.43Å; D421-H423 WeakPolarHBondContact OD1-CB 3.4Å; D421-H423 PolarHBondContact OD1-N 3.39Å |
| 424 | G | 89.4 | Confident | 93.4 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | trans | 85.7 | 12.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D421 P422 R540 | D421-G424 PolarHBondContact O-N 3.38Å; D421-G424 PolarHBondContact OD1-N 3.11Å; P422-G424 VanDerWaalsContact C-N 3.29Å; G424-R540 VanDerWaalsContact O-CZ 3.26Å; G424-R540 PolarHBondContact O-NE 3.23Å; G424-R540 PolarHBondContact O-NH2 3.36Å | ||
| 425 | N | 93.2 | Very high | 92.8 | Very high | 89 Ų | 89 | 34.6 Ų | 34.6 | 48% | 0.476 | 18% | 0.184 | S | C | . | . | trans | -74 | 143 | 173 | -54.5 | -54.1 | 0 | 0 | 0 | 110.1 | C420 D421 L427 | C420-N425 CarbonylContact C-O 3.59Å; C420-N425 VanDerWaalsContact CA-O 3.23Å; C420-N425 WeakPolarHBondContact CA-O 3.47Å; D421-N425 PolarHBondContact N-O 2.9Å; D421-N425 PolarHBondContact OD1-N 2.67Å; D421-N425 PolarHBondContact OD1-ND2 3.3Å; D421-N425 WeakPolarHBondContact OD2-CB 3.34Å; D421-N425 PolarHBondContact OD2-ND2 2.91Å; N425-L427 PolarHBondContact O-N 2.71Å | ||
| 426 | V | 97 | Very high | 91.5 | Very high | 51 Ų | 51 | 40.5 Ų | 40.5 | 31% | 0.309 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 120.5 | -178.2 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | T429 L525 V536 | V426-T429 HydrophobicContact CG1-CG2 3.71Å; V426-L525 HydrophobicContact CG2-CD2 3.96Å; V426-V536 HydrophobicContact CG2-CB 4.49Å; V426-V536 HydrophobicContact CG2-CG1 3.94Å; V426-V536 HydrophobicContact CG2-CG2 3.65Å |
| 427 | L | 96.7 | Very high | 89.7 | Confident | 65 Ų | 65 | 43.5 Ų | 43.5 | 34% | 0.34 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -43.1 | 177.2 | -64.6 | 172.1 | 0 | 0 | 0 | 111.9 | A419 D421 N425 H468 I470 | A419-L427 HydrophobicContact CB-CB 4.04Å; A419-L427 PolarHBondContact O-N 3.04Å; D421-L427 HydrophobicContact CB-CD1 4.08Å; D421-L427 HydrophobicContact CB-CD2 4.07Å; D421-L427 HydrophobicContact CB-CG 4.1Å; N425-L427 PolarHBondContact O-N 2.71Å; L427-H468 HydrophobicContact CD1-CB 4.1Å; L427-I470 HydrophobicContact CD1-CD1 4.2Å |
| 428 | S | 97.1 | Very high | 87.5 | Confident | 40 Ų | 40 | 46.5 Ų | 46.5 | 28% | 0.28 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 158.4 | -179.1 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | W417 A418 A419 | W417-S428 WeakPolarHBondContact CH2-OG 3.47Å; A418-S428 WeakPolarHBondContact CA-O 3.34Å; A419-S428 PolarHBondContact N-O 3.4Å |
| 429 | T | 97.5 | Very high | 85.1 | Confident | 40 Ų | 40 | 52.2 Ų | 52.2 | 25% | 0.245 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 161.1 | 175.4 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | W417 A418 V426 L528 F532 | W417-T429 CarbonylContact O-C 3.36Å; W417-T429 VanDerWaalsContact O-CA 3.23Å; W417-T429 WeakPolarHBondContact O-CA 3.48Å; W417-T429 WeakPolarHBondContact O-CB 2.94Å; A418-T429 HydrophobicContact CB-CG2 3.92Å; V426-T429 HydrophobicContact CG1-CG2 3.71Å; T429-L528 HydrophobicContact CG2-CD1 3.87Å; T429-F532 HydrophobicContact CG2-CB 4.21Å; T429-F532 HydrophobicContact CG2-CG 4.44Å |
| 430 | G | 95.7 | Very high | 82.6 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.5 | -174.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | W417 F532 | W417-G430 VanDerWaalsContact CD1-O 3.27Å; W417-G430 VanDerWaalsContact CE2-CA 3.41Å; W417-G430 PolarHBondContact N-O 3.34Å; W417-G430 VanDerWaalsContact NE1-C 3.26Å; W417-G430 PolarHBondContact O-N 2.82Å; G430-F532 WeakPolarHBondContact O-CE1 3.37Å |
| 431 | I | 94.3 | Very high | 80.3 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 34% | 0.338 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133 | -179.9 | -54.9 | 177.2 | 0 | 0 | 0 | 108.8 | W433 F532 | I431-W433 HydrophobicContact CG2-CZ2 4.32Å; I431-F532 HydrophobicContact CD1-CZ 4.36Å; I431-F532 HydrophobicContact CG1-CE1 3.87Å; I431-F532 HydrophobicContact CG1-CZ 4.07Å |
| 432 | L | 91.6 | Very high | 77.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.6 | 175.1 | -176.2 | 68.8 | 0 | 0 | 0 | 108.3 | C415 P434 N456 L458 L461 W487 | C415-L432 HydrophobicContact CB-CB 4.26Å; C415-L432 WeakPolarHBondContact CB-O 3.42Å; C415-L432 PolarHBondContact N-O 2.97Å; C415-L432 PolarHBondContact O-N 3.33Å; L432-P434 HydrophobicContact CG-CG 4.45Å; L432-P434 VanDerWaalsContact O-CD 3.3Å; L432-P434 WeakPolarHBondContact O-CD 3.25Å; L432-N456 CarbonylContact C-O 3.59Å; L432-N456 WeakPolarHBondContact CA-O 3.36Å; L432-L458 HydrophobicContact CD1-CB 4.03Å; L432-L458 HydrophobicContact CD1-CD1 4.37Å; L432-L461 HydrophobicContact CD2-CD2 4.17Å; L432-W487 HydrophobicContact CD1-CH2 3.78Å; L432-W487 HydrophobicContact CD1-CZ3 3.82Å; L432-W487 HydrophobicContact CD2-CH2 4.45Å; L432-W487 HydrophobicContact CD2-CZ3 3.67Å; L432-W487 HydrophobicContact CG-CH2 4.2Å; L432-W487 HydrophobicContact CG-CZ3 3.73Å |
| 433 | W | 89.4 | Confident | 75.7 | Confident | 124 Ų | 124 | 61.6 Ų | 61.6 | 47% | 0.47 | 35% | 0.354 | S | S | . | . | trans | -117 | 85.1 | 177 | -66.2 | 89.9 | 0 | 0 | 0 | 110.1 | W411 R412 G414 I431 N456 | W411-W433 WeakPolarHBondContact O-CZ3 3.2Å; R412-W433 WeakPolarHBondContact O-CH2 3.38Å; G414-W433 VanDerWaalsContact N-CH2 3.32Å; I431-W433 HydrophobicContact CG2-CZ2 4.32Å; W433-N456 HydrophobicContact CB-CB 4.33Å; W433-N456 PolarHBondContact N-O 3.37Å | ||
| 434 | P | 82.9 | Confident | 73.7 | Confident | 15 Ų | 15 | 65.6 Ų | 65.6 | 10% | 0.097 | 37% | 0.369 | C | S | . | . | trans | -61.2 | 142.8 | 176.7 | -21 | 32.2 | 0 | 0 | 0 | 111.7 | C415 L432 T484 W487 | C415-P434 HydrophobicContact CB-CG 4.08Å; L432-P434 HydrophobicContact CG-CG 4.45Å; L432-P434 VanDerWaalsContact O-CD 3.3Å; L432-P434 WeakPolarHBondContact O-CD 3.25Å; P434-T484 HydrophobicContact CG-CG2 4.08Å; P434-W487 HydrophobicContact CB-CD2 4.29Å; P434-W487 HydrophobicContact CB-CE3 3.54Å; P434-W487 HydrophobicContact CB-CZ3 3.84Å; P434-W487 HydrophobicContact CG-CE3 3.97Å; P434-W487 HydrophobicContact CG-CZ3 3.95Å | ||
| 435 | P | 76.9 | Confident | 71.4 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 14% | 0.143 | 40% | 0.399 | C | S | . | . | trans | -65.2 | 136.6 | 172.9 | 26.2 | -30.2 | 0 | 0 | 0 | 110.9 | T437 I441 W487 | P435-T437 VanDerWaalsContact C-N 3.29Å; P435-T437 PolarHBondContact O-N 3.42Å; P435-I441 HydrophobicContact CG-CD1 3.88Å; P435-I441 HydrophobicContact CG-CG1 4.21Å; P435-W487 VanDerWaalsContact CD-CE2 3.47Å; P435-W487 HydrophobicContact CG-CD2 4.25Å; P435-W487 HydrophobicContact CG-CG 4.08Å | ||
| 436 | H | 64.9 | Low | 69.1 | Low | 123 Ų | 123 | 72.6 Ų | 72.6 | 57% | 0.569 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -68.8 | -26.3 | -179.6 | -63.9 | -77.8 | 0 | 0 | 0 | 113.5 | W411 | W411-H436 AromaticContact CE3-CE1 3.28Å; W411-H436 AromaticContact CE3-ND1 3.18Å; W411-H436 AromaticContact CH2-ND1 3.91Å; W411-H436 AromaticContact CZ3-CE1 3.58Å; W411-H436 AromaticContact CZ3-ND1 2.96Å; W411-H436 WeakPolarHBondContact CZ3-ND1 3.43Å |
| 437 | T | 57.4 | Low | 66.4 | Low | 86 Ų | 86 | 75.3 Ų | 75.3 | 53% | 0.528 | 42% | 0.42 | S | S | . | . | trans | -138.3 | 133 | 177 | 47.1 | 0 | 0 | 0 | 0 | 110 | P435 S439 A440 | P435-T437 VanDerWaalsContact C-N 3.29Å; P435-T437 PolarHBondContact O-N 3.42Å; T437-S439 PolarHBondContact O-N 3.42Å; T437-A440 WeakPolarHBondContact O-CB 3.45Å; T437-A440 PolarHBondContact O-N 3.1Å | ||
| 438 | L | 52.8 | Low | 63.5 | Low | 70 Ų | 70 | 76.5 Ų | 76.5 | 37% | 0.366 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -63 | -23 | 177.9 | -69.1 | 169.7 | 0 | 0 | 0 | 112.5 | A440 I441 | L438-A440 PolarHBondContact O-N 2.8Å; L438-I441 HydrophobicContact CD2-CD1 3.9Å; L438-I441 WeakPolarHBondContact O-CB 3.43Å; L438-I441 PolarHBondContact O-N 2.97Å |
| 439 | S | 46 | Very low | 60.7 | Low | 120 Ų | 120 | 82.7 Ų | 82.7 | 84% | 0.839 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -64.9 | -15.6 | 173.5 | -53.7 | 0 | 0 | 0 | 0 | 113.8 | T437 I441 | T437-S439 PolarHBondContact O-N 3.42Å; S439-I441 PolarHBondContact O-N 2.98Å |
| 440 | A | 46.4 | Very low | 57.7 | Low | 53 Ų | 53 | 87.7 Ų | 87.7 | 44% | 0.438 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -77.7 | -2.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T437 L438 P442 | T437-A440 WeakPolarHBondContact O-CB 3.45Å; T437-A440 PolarHBondContact O-N 3.1Å; L438-A440 PolarHBondContact O-N 2.8Å; A440-P442 WeakPolarHBondContact O-CD 3.49Å |
| 441 | I | 49.3 | Very low | 54.8 | Low | 17 Ų | 17 | 88.3 Ų | 88.3 | 9% | 0.087 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -103.2 | 95.2 | 179 | -48.2 | 176.7 | 0 | 0 | 0 | 108.6 | P435 L438 S439 L446 M453 Y490 | P435-I441 HydrophobicContact CG-CD1 3.88Å; P435-I441 HydrophobicContact CG-CG1 4.21Å; L438-I441 HydrophobicContact CD2-CD1 3.9Å; L438-I441 WeakPolarHBondContact O-CB 3.43Å; L438-I441 PolarHBondContact O-N 2.97Å; S439-I441 PolarHBondContact O-N 2.98Å; I441-L446 HydrophobicContact CG2-CD1 3.92Å; I441-M453 HydrophobicContact CG1-CE 4.27Å; I441-Y490 HydrophobicContact CD1-CD1 4.42Å; I441-Y490 HydrophobicContact CD1-CE1 4.26Å; I441-Y490 HydrophobicContact CG2-CE1 4.44Å |
| 442 | P | 41.6 | Very low | 52.3 | Low | 66 Ų | 66 | 92.1 Ų | 92.1 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | trans | -65.3 | 130.5 | 173.1 | 21.4 | -28 | 0 | 0 | 0 | 110 | A440 K444 K445 | A440-P442 WeakPolarHBondContact O-CD 3.49Å; P442-K444 PolarHBondContact O-N 3.47Å; P442-K445 HydrophobicContact CG-CB 4.21Å; P442-K445 PolarHBondContact O-N 3.18Å | ||
| 443 | P | 43.1 | Very low | 49.9 | Very low | 122 Ų | 122 | 96.2 Ų | 96.2 | 79% | 0.792 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -7.9 | -171.1 | 21.6 | -31.7 | 0 | 0 | 0 | 115 | ||
| 444 | K | 43.8 | Very low | 48.1 | Very low | 190 Ų | 190 | 94 Ų | 94 | 83% | 0.826 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 3.2 | -177 | -84.3 | -175.1 | 173.8 | -178.6 | 0 | 115.6 | P442 | P442-K444 PolarHBondContact O-N 3.47Š|
| 445 | K | 41.1 | Very low | 47.1 | Very low | 152 Ų | 152 | 100.5 Ų | 100.5 | 66% | 0.661 | 57% | 0.572 | S | S | * | * | trans | -114.1 | 13.7 | -173.5 | -97.1 | -171.4 | 179.7 | -176.4 | 0 | 116.6 | P442 S447 | P442-K445 HydrophobicContact CG-CB 4.21Å; P442-K445 PolarHBondContact O-N 3.18Å; K445-S447 VanDerWaalsContact C-N 3.3Å | ||
| 446 | L | 46 | Very low | 47.3 | Very low | 88 Ų | 88 | 100.5 Ų | 100.5 | 46% | 0.461 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | -12.8 | 172.5 | -106.8 | 85.5 | 0 | 0 | 0 | 114.2 | I441 I494 | I441-L446 HydrophobicContact CG2-CD1 3.92Å; L446-I494 HydrophobicContact CD2-CD1 3.38Å |
| 447 | S | 39.8 | Very low | 48.4 | Very low | 107 Ų | 107 | 95.3 Ų | 95.3 | 75% | 0.748 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 10.3 | -177.2 | 54.5 | 0 | 0 | 0 | 0 | 115.1 | K445 | K445-S447 VanDerWaalsContact C-N 3.3Š|
| 448 | V | 35.8 | Very low | 50 | Low | 90 Ų | 90 | 92.1 Ų | 92.1 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | trans | -129.8 | 112.2 | 177.8 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | N450 | V448-N450 HydrophobicContact CG1-CB 4.18Å; V448-N450 PolarHBondContact O-N 3.43Å | ||
| 449 | Q | 38.6 | Very low | 51.8 | Low | 170 Ų | 170 | 91.2 Ų | 91.2 | 79% | 0.794 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -58.9 | 2.1 | 177.5 | -76.2 | 179.2 | -15.9 | 0 | 0 | 115 | S454 | Q449-S454 VanDerWaalsContact O-CB 3.29Å; Q449-S454 WeakPolarHBondContact O-CB 3.18Å; Q449-S454 PolarHBondContact O-OG 2.89Å |
| 450 | N | 34.3 | Very low | 54 | Low | 145 Ų | 145 | 88.2 Ų | 88.2 | 78% | 0.775 | 52% | 0.521 | S | S | * | . | trans | -127.4 | 44.8 | -166.1 | -64.5 | -23.7 | 0 | 0 | 0 | 113.8 | V448 | V448-N450 HydrophobicContact CG1-CB 4.18Å; V448-N450 PolarHBondContact O-N 3.43Å | ||
| 451 | G | 35.8 | Very low | 56.3 | Low | 28 Ų | 28 | 85.7 Ų | 85.7 | 29% | 0.289 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -114.9 | 161.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M453 S454 | G451-M453 PolarHBondContact O-N 2.94Å; G451-S454 WeakPolarHBondContact O-CB 3.37Å; G451-S454 PolarHBondContact O-N 3.44Å |
| 452 | P | 40.2 | Very low | 58.5 | Low | 146 Ų | 146 | 85.6 Ų | 85.6 | 95% | 0.948 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -0.8 | -179 | 22.9 | -32.1 | 0 | 0 | 0 | 115.5 | ||
| 453 | M | 42.5 | Very low | 61 | Low | 87 Ų | 87 | 84.5 Ų | 84.5 | 43% | 0.429 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -4.8 | 165.1 | -83.9 | 175.1 | 72.6 | 0 | 0 | 114.1 | I441 G451 N455 N456 | I441-M453 HydrophobicContact CG1-CE 4.27Å; G451-M453 PolarHBondContact O-N 2.94Å; M453-N455 PolarHBondContact O-N 2.98Å; M453-N456 PolarHBondContact O-N 2.89Å |
| 454 | S | 50.1 | Low | 63.6 | Low | 76 Ų | 76 | 79.1 Ų | 79.1 | 53% | 0.531 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.9 | -177.4 | 178.1 | 0 | 0 | 0 | 0 | 113 | Q449 G451 | Q449-S454 VanDerWaalsContact O-CB 3.29Å; Q449-S454 WeakPolarHBondContact O-CB 3.18Å; Q449-S454 PolarHBondContact O-OG 2.89Å; G451-S454 WeakPolarHBondContact O-CB 3.37Å; G451-S454 PolarHBondContact O-N 3.44Å |
| 455 | N | 62.4 | Low | 66.1 | Low | 152 Ų | 152 | 70 Ų | 70 | 81% | 0.813 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 38.9 | -176.3 | -148.8 | 10 | 0 | 0 | 0 | 113.9 | M453 G457 | M453-N455 PolarHBondContact O-N 2.98Å; N455-G457 PolarHBondContact O-N 3.13Å |
| 456 | N | 81.5 | Confident | 68.7 | Low | 23 Ų | 23 | 66.6 Ų | 66.6 | 12% | 0.123 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -82 | 7.6 | 173.5 | 72.8 | -9.7 | 0 | 0 | 0 | 113.6 | L432 W433 M453 L458 W487 | L432-N456 CarbonylContact C-O 3.59Å; L432-N456 WeakPolarHBondContact CA-O 3.36Å; W433-N456 HydrophobicContact CB-CB 4.33Å; W433-N456 PolarHBondContact N-O 3.37Å; M453-N456 PolarHBondContact O-N 2.89Å; N456-L458 VanDerWaalsContact C-N 3.33Å; N456-L458 PolarHBondContact O-N 3.3Å; N456-L458 WeakPolarHBondContact OD1-CB 3.43Å; N456-L458 PolarHBondContact OD1-N 2.83Å; N456-W487 WeakPolarHBondContact ND2-CH2 3.47Å; N456-W487 WeakPolarHBondContact ND2-CZ2 3.49Å |
| 457 | G | 88 | Confident | 71.1 | Confident | 14 Ų | 14 | 71.2 Ų | 71.2 | 14% | 0.144 | 42% | 0.419 | C | S | . | . | S | Bend | trans | 85 | -8.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | N455 G459 A460 L461 | N455-G457 PolarHBondContact O-N 3.13Å; G457-G459 PolarHBondContact O-N 2.78Å; G457-A460 PolarHBondContact O-N 2.87Å; G457-L461 PolarHBondContact O-N 3.44Å; G457-L461 VanDerWaalsContact O-N 3.13Å |
| 458 | L | 91.3 | Very high | 73.8 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 9% | 0.094 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.8 | -40.7 | -178.1 | -177.1 | 61.9 | 0 | 0 | 0 | 112.2 | L432 N456 A460 L461 T462 W487 L491 F497 | L432-L458 HydrophobicContact CD1-CB 4.03Å; L432-L458 HydrophobicContact CD1-CD1 4.37Å; N456-L458 VanDerWaalsContact C-N 3.33Å; N456-L458 PolarHBondContact O-N 3.3Å; N456-L458 WeakPolarHBondContact OD1-CB 3.43Å; N456-L458 PolarHBondContact OD1-N 2.83Å; L458-A460 VanDerWaalsContact C-N 3.32Å; L458-A460 PolarHBondContact O-N 2.99Å; L458-L461 PolarHBondContact O-N 2.9Å; L458-T462 WeakPolarHBondContact O-CB 3.44Å; L458-T462 PolarHBondContact O-N 3.26Å; L458-T462 PolarHBondContact O-OG1 2.92Å; L458-T462 VanDerWaalsContact O-OG1 3.06Å; L458-W487 HydrophobicContact CB-CH2 4.31Å; L458-W487 HydrophobicContact CD1-CH2 4.36Å; L458-W487 HydrophobicContact CD2-CH2 4.27Å; L458-W487 HydrophobicContact CD2-CZ2 3.97Å; L458-L491 HydrophobicContact CD1-CD1 3.91Å; L458-L491 HydrophobicContact CD2-CD1 3.93Å; L458-L491 HydrophobicContact CD2-CD2 4.03Å; L458-F497 HydrophobicContact CD1-CE1 4.39Å; L458-F497 HydrophobicContact CD1-CZ 4.44Å |
| 459 | G | 90.7 | Very high | 76.6 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 53% | 0.526 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G457 A463 | G457-G459 PolarHBondContact O-N 2.78Å; G459-A463 WeakPolarHBondContact O-CB 3.41Å; G459-A463 PolarHBondContact O-N 3.48Å |
| 460 | A | 92.2 | Very high | 79.2 | Confident | 58 Ų | 58 | 63.1 Ų | 63.1 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G457 L458 A463 V464 | G457-A460 PolarHBondContact O-N 2.87Å; L458-A460 VanDerWaalsContact C-N 3.32Å; L458-A460 PolarHBondContact O-N 2.99Å; A460-A463 PolarHBondContact O-N 2.94Å; A460-V464 WeakPolarHBondContact O-CG2 3.38Å; A460-V464 PolarHBondContact O-N 2.97Å; A460-V464 VanDerWaalsContact O-N 3.12Å |
| 461 | L | 95 | Very high | 82 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.5 | -50.7 | 175.6 | 176.4 | 62.7 | 0 | 0 | 0 | 111.4 | I405 W417 L432 G457 L458 A463 V464 M465 | I405-L461 HydrophobicContact CD1-CD1 4.16Å; I405-L461 HydrophobicContact CG1-CD1 4.16Å; I405-L461 HydrophobicContact CG2-CD1 3.9Å; W417-L461 HydrophobicContact CD2-CD1 3.86Å; W417-L461 HydrophobicContact CE3-CD1 4Å; W417-L461 HydrophobicContact CG-CD1 4.12Å; L432-L461 HydrophobicContact CD2-CD2 4.17Å; G457-L461 PolarHBondContact O-N 3.44Å; G457-L461 VanDerWaalsContact O-N 3.13Å; L458-L461 PolarHBondContact O-N 2.9Å; L461-A463 VanDerWaalsContact C-N 3.31Å; L461-A463 PolarHBondContact O-N 3.39Å; L461-V464 PolarHBondContact O-N 3.43Å; L461-M465 HydrophobicContact CD1-CG 4.2Å; L461-M465 HydrophobicContact CD1-SD 4.14Å; L461-M465 HydrophobicContact CG-CG 4.45Å; L461-M465 HydrophobicContact CG-SD 3.95Å; L461-M465 WeakPolarHBondContact O-CG 3.36Å; L461-M465 PolarHBondContact O-N 3.19Å |
| 462 | T | 94.9 | Very high | 84.8 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 9% | 0.086 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 179.9 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | L458 V464 M465 Q466 F497 | L458-T462 WeakPolarHBondContact O-CB 3.44Å; L458-T462 PolarHBondContact O-N 3.26Å; L458-T462 PolarHBondContact O-OG1 2.92Å; L458-T462 VanDerWaalsContact O-OG1 3.06Å; T462-V464 PolarHBondContact O-N 3.36Å; T462-M465 PolarHBondContact O-N 2.71Å; T462-Q466 HydrophobicContact CG2-CG 4.49Å; T462-Q466 WeakPolarHBondContact O-CB 3.43Å; T462-Q466 WeakPolarHBondContact O-CG 3.49Å; T462-Q466 PolarHBondContact O-N 3.22Å; T462-F497 HydrophobicContact CG2-CD1 4.39Å |
| 463 | A | 94.7 | Very high | 87.4 | Confident | 43 Ų | 43 | 51.8 Ų | 51.8 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G459 A460 L461 R467 | G459-A463 WeakPolarHBondContact O-CB 3.41Å; G459-A463 PolarHBondContact O-N 3.48Å; A460-A463 PolarHBondContact O-N 2.94Å; L461-A463 VanDerWaalsContact C-N 3.31Å; L461-A463 PolarHBondContact O-N 3.39Å; A463-R467 VanDerWaalsContact O-CB 3.3Å; A463-R467 WeakPolarHBondContact O-CB 3.31Å; A463-R467 PolarHBondContact O-N 3.36Å |
| 464 | V | 97 | Very high | 89.9 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 175.6 | 169.4 | 0 | 0 | 0 | 0 | 111 | W417 A419 A460 L461 T462 Q466 R467 H468 | W417-V464 HydrophobicContact CH2-CB 4.38Å; W417-V464 HydrophobicContact CH2-CG2 3.93Å; W417-V464 HydrophobicContact CZ3-CG1 4.25Å; W417-V464 HydrophobicContact CZ3-CG2 4.46Å; A419-V464 HydrophobicContact CB-CG1 3.73Å; A460-V464 WeakPolarHBondContact O-CG2 3.38Å; A460-V464 PolarHBondContact O-N 2.97Å; A460-V464 VanDerWaalsContact O-N 3.12Å; L461-V464 PolarHBondContact O-N 3.43Å; T462-V464 PolarHBondContact O-N 3.36Å; V464-Q466 VanDerWaalsContact C-N 3.34Å; V464-Q466 PolarHBondContact O-N 2.87Å; V464-R467 PolarHBondContact O-N 3.14Å; V464-H468 PolarHBondContact O-CD2 3.14Å; V464-H468 PolarHBondContact O-N 2.87Å |
| 465 | M | 97 | Very high | 92 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -45.2 | 177.5 | -69.8 | 177.3 | 71.5 | 0 | 0 | 111.5 | I405 L461 T462 Q469 I470 I473 F497 L500 V502 | I405-M465 HydrophobicContact CD1-CG 4.15Å; I405-M465 HydrophobicContact CG1-CG 3.85Å; I405-M465 HydrophobicContact CG1-SD 4.29Å; L461-M465 HydrophobicContact CD1-CG 4.2Å; L461-M465 HydrophobicContact CD1-SD 4.14Å; L461-M465 HydrophobicContact CG-CG 4.45Å; L461-M465 HydrophobicContact CG-SD 3.95Å; L461-M465 WeakPolarHBondContact O-CG 3.36Å; L461-M465 PolarHBondContact O-N 3.19Å; T462-M465 PolarHBondContact O-N 2.71Å; M465-Q469 CarbonylContact O-C 3.49Å; M465-Q469 WeakPolarHBondContact O-CA 3.34Å; M465-Q469 PolarHBondContact O-N 3.37Å; M465-I470 VanDerWaalsContact CE-O 3.24Å; M465-I470 WeakPolarHBondContact CE-O 3.42Å; M465-I470 PolarHBondContact O-N 2.99Å; M465-I473 HydrophobicContact CE-CD1 3.95Å; M465-I473 HydrophobicContact CE-CG1 4.1Å; M465-I473 HydrophobicContact SD-CD1 4.35Å; M465-F497 HydrophobicContact CE-CD1 4.39Å; M465-F497 HydrophobicContact SD-CD1 4.28Å; M465-F497 HydrophobicContact SD-CE1 4.07Å; M465-L500 HydrophobicContact CB-CD1 3.86Å; M465-V502 HydrophobicContact CE-CB 4.42Å; M465-V502 HydrophobicContact CE-CG1 3.96Å; M465-V502 HydrophobicContact CE-CG2 3.5Å |
| 466 | Q | 95.6 | Very high | 93.4 | Very high | 80 Ų | 80 | 36.9 Ų | 36.9 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.1 | -43.9 | 177.5 | -73.4 | 176.9 | -15.5 | 0 | 0 | 112.4 | T462 V464 H468 Q469 L500 | T462-Q466 HydrophobicContact CG2-CG 4.49Å; T462-Q466 WeakPolarHBondContact O-CB 3.43Å; T462-Q466 WeakPolarHBondContact O-CG 3.49Å; T462-Q466 PolarHBondContact O-N 3.22Å; V464-Q466 VanDerWaalsContact C-N 3.34Å; V464-Q466 PolarHBondContact O-N 2.87Å; Q466-H468 VanDerWaalsContact C-N 3.29Å; Q466-H468 PolarHBondContact O-N 2.89Å; Q466-Q469 PolarHBondContact O-N 3.03Å; Q466-Q469 PolarHBondContact O-NE2 2.89Å; Q466-L500 HydrophobicContact CG-CD1 4.09Å |
| 467 | R | 96.6 | Very high | 93.6 | Very high | 185 Ų | 185 | 38.9 Ų | 38.9 | 70% | 0.698 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -59.7 | -40.2 | 179.7 | -178.2 | -179.4 | -64 | 151.8 | 1.2 | 112.4 | A463 V464 | A463-R467 VanDerWaalsContact O-CB 3.3Å; A463-R467 WeakPolarHBondContact O-CB 3.31Å; A463-R467 PolarHBondContact O-N 3.36Å; V464-R467 PolarHBondContact O-N 3.14Å |
| 468 | H | 95.3 | Very high | 93.5 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 32% | 0.315 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 8.5 | -175.3 | -64.2 | -77 | 0 | 0 | 0 | 113.7 | L427 V464 Q466 I470 | L427-H468 HydrophobicContact CD1-CB 4.1Å; V464-H468 PolarHBondContact O-CD2 3.14Å; V464-H468 PolarHBondContact O-N 2.87Å; Q466-H468 VanDerWaalsContact C-N 3.29Å; Q466-H468 PolarHBondContact O-N 2.89Å; H468-I470 VanDerWaalsContact C-N 3.3Å; H468-I470 HydrophobicContact CB-CD1 3.84Å; H468-I470 HydrophobicContact CB-CG1 3.7Å; H468-I470 PolarHBondContact O-N 2.98Å |
| 469 | Q | 94.2 | Very high | 93.1 | Very high | 128 Ų | 128 | 45.6 Ų | 45.6 | 60% | 0.598 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 45.5 | -179.2 | -58.3 | -65.8 | -24.5 | 0 | 0 | 112.9 | M465 Q466 L500 | M465-Q469 CarbonylContact O-C 3.49Å; M465-Q469 WeakPolarHBondContact O-CA 3.34Å; M465-Q469 PolarHBondContact O-N 3.37Å; Q466-Q469 PolarHBondContact O-N 3.03Å; Q466-Q469 PolarHBondContact O-NE2 2.89Å; Q469-L500 VanDerWaalsContact OE1-CD2 3.25Å |
| 470 | I | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -91.9 | 112 | -177.2 | -48.1 | -175.9 | 0 | 0 | 0 | 110 | P403 I405 A419 L427 M465 H468 | P403-I470 HydrophobicContact CB-CD1 4.37Å; P403-I470 HydrophobicContact CB-CG1 4.01Å; P403-I470 HydrophobicContact CB-CG2 4.41Å; P403-I470 HydrophobicContact CG-CG1 4.29Å; I405-I470 HydrophobicContact CD1-CD1 3.8Å; I405-I470 HydrophobicContact CD1-CG2 4.28Å; I405-I470 HydrophobicContact CG1-CG2 3.91Å; A419-I470 HydrophobicContact CB-CD1 3.91Å; L427-I470 HydrophobicContact CD1-CD1 4.2Å; M465-I470 VanDerWaalsContact CE-O 3.24Å; M465-I470 WeakPolarHBondContact CE-O 3.42Å; M465-I470 PolarHBondContact O-N 2.99Å; H468-I470 VanDerWaalsContact C-N 3.3Å; H468-I470 HydrophobicContact CB-CD1 3.84Å; H468-I470 HydrophobicContact CB-CG1 3.7Å; H468-I470 PolarHBondContact O-N 2.98Å | ||
| 471 | E | 93.1 | Very high | 92.5 | Very high | 79 Ų | 79 | 41.3 Ų | 41.3 | 37% | 0.369 | 21% | 0.205 | S | C | . | . | trans | -101.8 | -8.8 | -179.6 | -59.7 | -166.8 | 134.4 | 0 | 0 | 113.7 | L500 N501 V502 R503 | E471-L500 HydrophobicContact CG-CB 4.34Å; E471-L500 HydrophobicContact CG-CD2 4.25Å; E471-N501 PolarHBondContact OE1-N 3.11Å; E471-V502 WeakPolarHBondContact O-CA 3.47Å; E471-R503 PolarHBondContact O-N 3.09Å | ||
| 472 | T | 93.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.3 | -172.3 | -57.6 | 0 | 0 | 0 | 0 | 112 | L371 V404 I405 L542 F814 | L371-T472 HydrophobicContact CD2-CG2 3.78Å; V404-T472 WeakPolarHBondContact CA-O 3.28Å; V404-T472 HydrophobicContact CG2-CG2 4.22Å; I405-T472 PolarHBondContact N-O 2.82Å; T472-L542 HydrophobicContact CG2-CD2 3.71Å; T472-F814 HydrophobicContact CG2-CE1 3.94Å; T472-F814 HydrophobicContact CG2-CZ 4.43Å |
| 473 | I | 95.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128.2 | 176.5 | -56 | -179.7 | 0 | 0 | 0 | 110.3 | I405 L407 M465 L488 V502 R503 Y504 A505 | I405-I473 HydrophobicContact CB-CG1 4.2Å; I405-I473 HydrophobicContact CG2-CG2 4.46Å; I405-I473 CarbonylContact O-C 3.6Å; I405-I473 WeakPolarHBondContact O-CA 3.36Å; L407-I473 HydrophobicContact CD1-CG2 3.48Å; L407-I473 VanDerWaalsContact CD1-CG2 3.48Å; L407-I473 HydrophobicContact CG-CG2 3.73Å; M465-I473 HydrophobicContact CE-CD1 3.95Å; M465-I473 HydrophobicContact CE-CG1 4.1Å; M465-I473 HydrophobicContact SD-CD1 4.35Å; I473-L488 HydrophobicContact CD1-CD2 4.03Å; I473-V502 HydrophobicContact CD1-CG1 3.72Å; I473-V502 HydrophobicContact CG1-CG1 4.14Å; I473-R503 PolarHBondContact N-O 2.85Å; I473-Y504 CarbonylContact O-C 3.59Å; I473-Y504 WeakPolarHBondContact O-CA 3.22Å; I473-Y504 WeakPolarHBondContact O-CB 3.41Å; I473-A505 PolarHBondContact O-N 3.41Å |
| 474 | A | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V404 I405 G406 L407 V507 I538 L542 | V404-A474 HydrophobicContact CG1-CB 3.85Å; I405-A474 PolarHBondContact O-N 2.9Å; G406-A474 CarbonylContact C-O 3.59Å; G406-A474 WeakPolarHBondContact CA-O 3.3Å; L407-A474 PolarHBondContact N-O 2.92Å; A474-V507 HydrophobicContact CB-CG2 3.91Å; A474-I538 HydrophobicContact CB-CG2 3.82Å; A474-L542 HydrophobicContact CB-CB 3.84Å; A474-L542 HydrophobicContact CB-CD2 3.69Å; A474-L542 HydrophobicContact CB-CG 4.39Å |
| 475 | L | 93.6 | Very high | 90 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 118.4 | 178.5 | 174.7 | 62.5 | 0 | 0 | 0 | 110.6 | L407 P409 T484 G485 L488 Y504 A505 V506 V507 | L407-L475 HydrophobicContact CB-CD1 3.95Å; L407-L475 HydrophobicContact CD1-CD1 4.36Å; P409-L475 HydrophobicContact CG-CD1 4.48Å; L475-T484 HydrophobicContact CD1-CG2 3.76Å; L475-G485 VanDerWaalsContact CD2-CA 3.45Å; L475-L488 HydrophobicContact CD2-CD1 4.27Å; L475-Y504 HydrophobicContact CB-CD2 4.31Å; L475-Y504 HydrophobicContact CD2-CD2 4.22Å; L475-Y504 HydrophobicContact CD2-CE2 4.14Å; L475-A505 PolarHBondContact N-O 3.49Å; L475-V506 CarbonylContact O-C 3.59Å; L475-V506 WeakPolarHBondContact O-CA 3.39Å; L475-V507 PolarHBondContact O-N 2.92Å |
| 476 | G | 92.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 144.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L407 P409 S481 V507 | L407-G476 PolarHBondContact O-N 3.44Å; P409-G476 WeakPolarHBondContact CG-O 3.43Å; G476-S481 WeakPolarHBondContact O-CB 3.42Å; G476-V507 CarbonylContact C-O 3.47Å; G476-V507 WeakPolarHBondContact CA-O 3.43Å |
| 477 | N | 86.6 | Confident | 88.7 | Confident | 65 Ų | 65 | 44.6 Ų | 44.6 | 35% | 0.348 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -95.2 | 15.2 | -172.9 | 71.4 | -18 | 0 | 0 | 0 | 115.4 | S481 V506 V507 S508 E509 | N477-S481 PolarHBondContact O-OG 3.05Å; N477-V506 HydrophobicContact CB-CG1 3.6Å; N477-V507 PolarHBondContact N-O 3.23Å; N477-S508 WeakPolarHBondContact OD1-CA 3.47Å; N477-E509 PolarHBondContact OD1-N 3.23Å |
| 478 | G | 84.8 | Confident | 88.3 | Confident | 22 Ų | 22 | 35.8 Ų | 35.8 | 23% | 0.227 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -95.5 | -140.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G480 S481 E509 | G478-G480 PolarHBondContact O-N 2.85Å; G478-S481 WeakPolarHBondContact O-CB 3.33Å; G478-S481 PolarHBondContact O-N 2.93Å; G478-S481 VanDerWaalsContact O-N 3.11Å; G478-S481 PolarHBondContact O-OG 3.24Å; G478-E509 VanDerWaalsContact CA-OE1 3.22Å; G478-E509 WeakPolarHBondContact CA-OE1 3.47Å; G478-E509 WeakPolarHBondContact CA-OE2 3.44Å; G478-E509 PolarHBondContact N-OE2 3.36Å |
| 479 | Q | 83.9 | Confident | 87.7 | Confident | 150 Ų | 150 | 32.6 Ų | 32.6 | 70% | 0.701 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | 117.7 | -166.3 | -69.8 | -164.8 | -12.8 | 0 | 0 | 112 | P409 G410 S481 | P409-Q479 CarbonylContact C-O 3.55Å; P409-Q479 VanDerWaalsContact C-O 3.25Å; P409-Q479 VanDerWaalsContact O-O 3.11Å; G410-Q479 PolarHBondContact N-O 3.3Å; Q479-S481 VanDerWaalsContact C-N 3.34Å |
| 480 | G | 82.8 | Confident | 87.2 | Confident | 7 Ų | 7 | 29.3 Ų | 29.3 | 7% | 0.072 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -0.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | G478 R482 Q483 T484 | G478-G480 PolarHBondContact O-N 2.85Å; G480-R482 VanDerWaalsContact C-N 3.33Å; G480-R482 PolarHBondContact O-N 2.82Å; G480-Q483 PolarHBondContact O-N 3.3Å; G480-T484 WeakPolarHBondContact O-CB 3.44Å; G480-T484 PolarHBondContact O-N 3.44Å; G480-T484 PolarHBondContact O-OG1 3.15Å |
| 481 | S | 86.7 | Confident | 87 | Confident | 12 Ų | 12 | 29.5 Ų | 29.5 | 8% | 0.084 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.8 | -46.9 | 177.1 | 58 | 0 | 0 | 0 | 0 | 112 | G476 N477 G478 Q479 Q483 T484 G485 | G476-S481 WeakPolarHBondContact O-CB 3.42Å; N477-S481 PolarHBondContact O-OG 3.05Å; G478-S481 WeakPolarHBondContact O-CB 3.33Å; G478-S481 PolarHBondContact O-N 2.93Å; G478-S481 VanDerWaalsContact O-N 3.11Å; G478-S481 PolarHBondContact O-OG 3.24Å; Q479-S481 VanDerWaalsContact C-N 3.34Å; S481-Q483 PolarHBondContact O-N 2.99Å; S481-T484 PolarHBondContact O-N 2.99Å; S481-G485 PolarHBondContact O-N 3.33Å |
| 482 | R | 76.1 | Confident | 86.7 | Confident | 91 Ų | 91 | 27.1 Ų | 27.1 | 34% | 0.343 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63.8 | -43.5 | -175 | -61.4 | 174.8 | -171.6 | -179.6 | -6.9 | 113.2 | G480 G485 S486 E849 E850 | G480-R482 VanDerWaalsContact C-N 3.33Å; G480-R482 PolarHBondContact O-N 2.82Å; R482-G485 PolarHBondContact O-N 2.93Å; R482-S486 WeakPolarHBondContact O-CB 3.42Å; R482-S486 PolarHBondContact O-N 3.23Å; R482-S486 PolarHBondContact O-OG 2.88Å; R482-E849 WeakPolarHBondContact CD-O 3.22Å; R482-E849 PolarHBondContact NE-O 3.25Å; R482-E849 PolarHBondContact NH1-O 3.37Å; R482-E849 PolarHBondContact NH2-O 3.05Å; R482-E850 IonicContact CZ-OE1 2.75Å; R482-E850 IonicContact CZ-OE2 2.86Å; R482-E850 IonicContact NH1-OE1 2.7Å; R482-E850 PolarHBondContact NH1-OE1 3.42Å; R482-E850 IonicContact NH1-OE2 2.72Å; R482-E850 IonicContact NH2-OE1 3.02Å; R482-E850 PolarHBondContact NH2-OE1 3Å; R482-E850 IonicContact NH2-OE2 3.75Å; R482-E850 PolarHBondContact NH2-OE2 3.3Å |
| 483 | Q | 79.8 | Confident | 86.3 | Confident | 73 Ų | 73 | 33.4 Ų | 33.4 | 34% | 0.341 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -70.9 | -40.7 | 178.7 | -63.6 | 89.1 | -14.9 | 0 | 0 | 110.6 | W411 G480 S481 S486 W487 | W411-Q483 HydrophobicContact CH2-CB 3.79Å; W411-Q483 HydrophobicContact CH2-CG 3.55Å; W411-Q483 HydrophobicContact CZ2-CG 4.21Å; W411-Q483 HydrophobicContact CZ3-CB 4.39Å; G480-Q483 PolarHBondContact O-N 3.3Å; S481-Q483 PolarHBondContact O-N 2.99Å; Q483-S486 PolarHBondContact O-N 3.13Å; Q483-W487 WeakPolarHBondContact O-CB 3.43Å; Q483-W487 PolarHBondContact O-N 3.35Å |
| 484 | T | 86.9 | Confident | 85.9 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.8 | -47.1 | 173.2 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | L407 P434 L475 G480 S481 W487 L488 | L407-T484 HydrophobicContact CD1-CG2 4.34Å; P434-T484 HydrophobicContact CG-CG2 4.08Å; L475-T484 HydrophobicContact CD1-CG2 3.76Å; G480-T484 WeakPolarHBondContact O-CB 3.44Å; G480-T484 PolarHBondContact O-N 3.44Å; G480-T484 PolarHBondContact O-OG1 3.15Å; S481-T484 PolarHBondContact O-N 2.99Å; T484-W487 PolarHBondContact O-N 2.93Å; T484-L488 HydrophobicContact CG2-CD1 4.12Å; T484-L488 VanDerWaalsContact O-CG 3.31Å; T484-L488 WeakPolarHBondContact O-CG 3.47Å; T484-L488 PolarHBondContact O-N 3.28Å |
| 485 | G | 86.1 | Confident | 85.6 | Confident | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -44.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L475 S481 R482 W487 L488 A489 | L475-G485 VanDerWaalsContact CD2-CA 3.45Å; S481-G485 PolarHBondContact O-N 3.33Å; R482-G485 PolarHBondContact O-N 2.93Å; G485-W487 VanDerWaalsContact C-N 3.26Å; G485-W487 PolarHBondContact O-N 3.29Å; G485-L488 PolarHBondContact O-N 2.59Å; G485-A489 WeakPolarHBondContact O-CB 3.47Å; G485-A489 PolarHBondContact O-N 3Å |
| 486 | S | 80.1 | Confident | 85.4 | Confident | 38 Ų | 38 | 45.1 Ų | 45.1 | 27% | 0.266 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.9 | -39.1 | 175.5 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | R482 Q483 Y490 | R482-S486 WeakPolarHBondContact O-CB 3.42Å; R482-S486 PolarHBondContact O-N 3.23Å; R482-S486 PolarHBondContact O-OG 2.88Å; Q483-S486 PolarHBondContact O-N 3.13Å; S486-Y490 PolarHBondContact O-N 3.39Å; S486-Y490 VanDerWaalsContact O-N 3.11Å |
| 487 | W | 84.8 | Confident | 85.4 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.9 | -41.5 | 177.3 | -178.1 | 52.4 | 0 | 0 | 0 | 112.4 | L432 P434 P435 N456 L458 Q483 T484 G485 Y490 L491 | L432-W487 HydrophobicContact CD1-CH2 3.78Å; L432-W487 HydrophobicContact CD1-CZ3 3.82Å; L432-W487 HydrophobicContact CD2-CH2 4.45Å; L432-W487 HydrophobicContact CD2-CZ3 3.67Å; L432-W487 HydrophobicContact CG-CH2 4.2Å; L432-W487 HydrophobicContact CG-CZ3 3.73Å; P434-W487 HydrophobicContact CB-CD2 4.29Å; P434-W487 HydrophobicContact CB-CE3 3.54Å; P434-W487 HydrophobicContact CB-CZ3 3.84Å; P434-W487 HydrophobicContact CG-CE3 3.97Å; P434-W487 HydrophobicContact CG-CZ3 3.95Å; P435-W487 VanDerWaalsContact CD-CE2 3.47Å; P435-W487 HydrophobicContact CG-CD2 4.25Å; P435-W487 HydrophobicContact CG-CG 4.08Å; N456-W487 WeakPolarHBondContact ND2-CH2 3.47Å; N456-W487 WeakPolarHBondContact ND2-CZ2 3.49Å; L458-W487 HydrophobicContact CB-CH2 4.31Å; L458-W487 HydrophobicContact CD1-CH2 4.36Å; L458-W487 HydrophobicContact CD2-CH2 4.27Å; L458-W487 HydrophobicContact CD2-CZ2 3.97Å; Q483-W487 WeakPolarHBondContact O-CB 3.43Å; Q483-W487 PolarHBondContact O-N 3.35Å; T484-W487 PolarHBondContact O-N 2.93Å; G485-W487 VanDerWaalsContact C-N 3.26Å; G485-W487 PolarHBondContact O-N 3.29Å; W487-Y490 WeakPolarHBondContact O-CB 3.38Å; W487-Y490 PolarHBondContact O-N 3.41Å; W487-L491 HydrophobicContact CD2-CD1 4.04Å; W487-L491 HydrophobicContact CE3-CD1 4.41Å; W487-L491 HydrophobicContact CH2-CD1 4.38Å; W487-L491 HydrophobicContact CZ2-CD1 3.96Å; W487-L491 WeakPolarHBondContact O-CG 3.49Å; W487-L491 PolarHBondContact O-N 3.18Å |
| 488 | L | 88.4 | Confident | 85.5 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59 | -47.3 | 173.3 | -74.6 | 165.7 | 0 | 0 | 0 | 111.7 | L407 I473 L475 T484 G485 Y490 L491 I492 Y504 | L407-L488 HydrophobicContact CD1-CD1 3.47Å; L407-L488 VanDerWaalsContact CD1-CD1 3.47Å; L407-L488 HydrophobicContact CD1-CD2 4.16Å; L407-L488 HydrophobicContact CD1-CG 4.35Å; I473-L488 HydrophobicContact CD1-CD2 4.03Å; L475-L488 HydrophobicContact CD2-CD1 4.27Å; T484-L488 HydrophobicContact CG2-CD1 4.12Å; T484-L488 VanDerWaalsContact O-CG 3.31Å; T484-L488 WeakPolarHBondContact O-CG 3.47Å; T484-L488 PolarHBondContact O-N 3.28Å; G485-L488 PolarHBondContact O-N 2.59Å; L488-Y490 VanDerWaalsContact C-N 3.3Å; L488-Y490 PolarHBondContact O-N 2.93Å; L488-L491 WeakPolarHBondContact O-CB 3.38Å; L488-L491 PolarHBondContact O-N 3.48Å; L488-L491 VanDerWaalsContact O-N 3.14Å; L488-I492 VanDerWaalsContact O-CG1 3.29Å; L488-I492 WeakPolarHBondContact O-CG1 3.15Å; L488-I492 PolarHBondContact O-N 3.25Å; L488-Y504 HydrophobicContact CB-CD1 4.42Å |
| 489 | A | 83.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | G485 I492 Q493 Y504 V818 | G485-A489 WeakPolarHBondContact O-CB 3.47Å; G485-A489 PolarHBondContact O-N 3Å; A489-I492 PolarHBondContact O-N 3.47Å; A489-Q493 WeakPolarHBondContact O-CB 3.23Å; A489-Q493 PolarHBondContact O-N 3.47Å; A489-Y504 HydrophobicContact CB-CE1 4.04Å; A489-V818 HydrophobicContact CB-CG2 3.38Å |
| 490 | Y | 84.2 | Confident | 86.3 | Confident | 60 Ų | 60 | 46.1 Ų | 46.1 | 24% | 0.235 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -48 | 172 | 169.1 | -102.6 | 0 | 0 | 0 | 112.1 | I441 S486 W487 L488 I492 Q493 I494 | I441-Y490 HydrophobicContact CD1-CD1 4.42Å; I441-Y490 HydrophobicContact CD1-CE1 4.26Å; I441-Y490 HydrophobicContact CG2-CE1 4.44Å; S486-Y490 PolarHBondContact O-N 3.39Å; S486-Y490 VanDerWaalsContact O-N 3.11Å; W487-Y490 WeakPolarHBondContact O-CB 3.38Å; W487-Y490 PolarHBondContact O-N 3.41Å; L488-Y490 VanDerWaalsContact C-N 3.3Å; L488-Y490 PolarHBondContact O-N 2.93Å; Y490-I492 VanDerWaalsContact C-N 3.31Å; Y490-I492 PolarHBondContact O-N 3Å; Y490-Q493 PolarHBondContact O-N 3.33Å; Y490-I494 HydrophobicContact CD1-CD1 4.46Å; Y490-I494 HydrophobicContact CD2-CG2 4.11Å; Y490-I494 HydrophobicContact CE1-CD1 3.83Å; Y490-I494 HydrophobicContact CE1-CG2 4.49Å; Y490-I494 HydrophobicContact CE2-CG2 3.62Å; Y490-I494 WeakPolarHBondContact O-CG1 3.5Å; Y490-I494 PolarHBondContact O-N 3.41Å |
| 491 | L | 88.6 | Confident | 86.7 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 178.5 | -69.8 | 173.7 | 0 | 0 | 0 | 112.4 | L458 W487 L488 I494 Q495 H496 F497 | L458-L491 HydrophobicContact CD1-CD1 3.91Å; L458-L491 HydrophobicContact CD2-CD1 3.93Å; L458-L491 HydrophobicContact CD2-CD2 4.03Å; W487-L491 HydrophobicContact CD2-CD1 4.04Å; W487-L491 HydrophobicContact CE3-CD1 4.41Å; W487-L491 HydrophobicContact CH2-CD1 4.38Å; W487-L491 HydrophobicContact CZ2-CD1 3.96Å; W487-L491 WeakPolarHBondContact O-CG 3.49Å; W487-L491 PolarHBondContact O-N 3.18Å; L488-L491 WeakPolarHBondContact O-CB 3.38Å; L488-L491 PolarHBondContact O-N 3.48Å; L488-L491 VanDerWaalsContact O-N 3.14Å; L491-I494 HydrophobicContact CD2-CD1 4.37Å; L491-I494 VanDerWaalsContact O-CG1 3.3Å; L491-I494 WeakPolarHBondContact O-CG1 3.35Å; L491-Q495 PolarHBondContact O-N 3.45Å; L491-H496 HydrophobicContact CB-CB 4.28Å; L491-H496 HydrophobicContact CD2-CB 4.24Å; L491-H496 WeakPolarHBondContact O-CB 3.47Å; L491-H496 PolarHBondContact O-N 3.48Å; L491-F497 HydrophobicContact CB-CE2 3.74Å; L491-F497 HydrophobicContact CB-CZ 4.2Å; L491-F497 HydrophobicContact CD1-CZ 4.16Å |
| 492 | I | 87.8 | Confident | 86.9 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 174.8 | -67.9 | 164.5 | 0 | 0 | 0 | 110.1 | L488 A489 Y490 I494 Q495 F497 V502 Y504 | L488-I492 VanDerWaalsContact O-CG1 3.29Å; L488-I492 WeakPolarHBondContact O-CG1 3.15Å; L488-I492 PolarHBondContact O-N 3.25Å; A489-I492 PolarHBondContact O-N 3.47Å; Y490-I492 VanDerWaalsContact C-N 3.31Å; Y490-I492 PolarHBondContact O-N 3Å; I492-I494 VanDerWaalsContact C-N 3.31Å; I492-I494 PolarHBondContact O-N 3.06Å; I492-Q495 WeakPolarHBondContact O-CA 3.26Å; I492-Q495 PolarHBondContact O-N 2.93Å; I492-F497 HydrophobicContact CG1-CD2 4.21Å; I492-F497 HydrophobicContact CG1-CE2 4.13Å; I492-V502 HydrophobicContact CD1-CG1 4.18Å; I492-V502 HydrophobicContact CG1-CB 4.34Å; I492-V502 HydrophobicContact CG1-CG1 4.11Å; I492-Y504 HydrophobicContact CD1-CD1 3.77Å; I492-Y504 HydrophobicContact CD1-CE1 4.39Å |
| 493 | Q | 84.7 | Confident | 87.4 | Confident | 134 Ų | 134 | 49.1 Ų | 49.1 | 63% | 0.626 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -60.6 | -38.5 | -178.8 | -174.2 | 178.6 | 3.8 | 0 | 0 | 112.6 | A489 Y490 Q495 | A489-Q493 WeakPolarHBondContact O-CB 3.23Å; A489-Q493 PolarHBondContact O-N 3.47Å; Y490-Q493 PolarHBondContact O-N 3.33Å; Q493-Q495 PolarHBondContact O-N 3.24Å |
| 494 | I | 88 | Confident | 87.9 | Confident | 66 Ų | 66 | 46.4 Ų | 46.4 | 34% | 0.338 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 6.6 | 175.9 | 69.2 | 169.3 | 0 | 0 | 0 | 113.5 | L446 Y490 L491 I492 H496 | L446-I494 HydrophobicContact CD2-CD1 3.38Å; Y490-I494 HydrophobicContact CD1-CD1 4.46Å; Y490-I494 HydrophobicContact CD2-CG2 4.11Å; Y490-I494 HydrophobicContact CE1-CD1 3.83Å; Y490-I494 HydrophobicContact CE1-CG2 4.49Å; Y490-I494 HydrophobicContact CE2-CG2 3.62Å; Y490-I494 WeakPolarHBondContact O-CG1 3.5Å; Y490-I494 PolarHBondContact O-N 3.41Å; L491-I494 HydrophobicContact CD2-CD1 4.37Å; L491-I494 VanDerWaalsContact O-CG1 3.3Å; L491-I494 WeakPolarHBondContact O-CG1 3.35Å; I492-I494 VanDerWaalsContact C-N 3.31Å; I492-I494 PolarHBondContact O-N 3.06Å; I494-H496 VanDerWaalsContact C-N 3.29Å; I494-H496 HydrophobicContact CD1-CB 4.41Å; I494-H496 HydrophobicContact CG1-CB 4.21Å; I494-H496 PolarHBondContact O-N 2.85Å |
| 495 | Q | 87.7 | Confident | 87.9 | Confident | 115 Ų | 115 | 46.3 Ų | 46.3 | 54% | 0.537 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 33.1 | 177.8 | -54.7 | 179.2 | -9.6 | 0 | 0 | 114.1 | L491 I492 Q493 F497 K498 | L491-Q495 PolarHBondContact O-N 3.45Å; I492-Q495 WeakPolarHBondContact O-CA 3.26Å; I492-Q495 PolarHBondContact O-N 2.93Å; Q493-Q495 PolarHBondContact O-N 3.24Å; Q495-F497 PolarHBondContact O-N 2.94Å; Q495-K498 HydrophobicContact CB-CD 4.02Å; Q495-K498 HydrophobicContact CB-CG 4.18Å; Q495-K498 PolarHBondContact O-N 2.92Å |
| 496 | H | 89.6 | Confident | 87.9 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 31% | 0.31 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -33.1 | -178.4 | 180 | 73 | 0 | 0 | 0 | 113.2 | L491 I494 | L491-H496 HydrophobicContact CB-CB 4.28Å; L491-H496 HydrophobicContact CD2-CB 4.24Å; L491-H496 WeakPolarHBondContact O-CB 3.47Å; L491-H496 PolarHBondContact O-N 3.48Å; I494-H496 VanDerWaalsContact C-N 3.29Å; I494-H496 HydrophobicContact CD1-CB 4.41Å; I494-H496 HydrophobicContact CG1-CB 4.21Å; I494-H496 PolarHBondContact O-N 2.85Å |
| 497 | F | 91.6 | Very high | 88.2 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 2% | 0.022 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 4.5 | -172.4 | -60.1 | -72.3 | 0 | 0 | 0 | 115 | L458 T462 M465 L491 I492 Q495 L500 V502 | L458-F497 HydrophobicContact CD1-CE1 4.39Å; L458-F497 HydrophobicContact CD1-CZ 4.44Å; T462-F497 HydrophobicContact CG2-CD1 4.39Å; M465-F497 HydrophobicContact CE-CD1 4.39Å; M465-F497 HydrophobicContact SD-CD1 4.28Å; M465-F497 HydrophobicContact SD-CE1 4.07Å; L491-F497 HydrophobicContact CB-CE2 3.74Å; L491-F497 HydrophobicContact CB-CZ 4.2Å; L491-F497 HydrophobicContact CD1-CZ 4.16Å; I492-F497 HydrophobicContact CG1-CD2 4.21Å; I492-F497 HydrophobicContact CG1-CE2 4.13Å; Q495-F497 PolarHBondContact O-N 2.94Å; F497-L500 VanDerWaalsContact O-CB 3.31Å; F497-L500 WeakPolarHBondContact O-CB 3.31Å; F497-L500 PolarHBondContact O-N 3.43Å; F497-V502 HydrophobicContact CB-CB 4.04Å; F497-V502 HydrophobicContact CB-CG2 3.34Å; F497-V502 HydrophobicContact CD1-CG2 4.2Å; F497-V502 HydrophobicContact CD2-CB 3.78Å; F497-V502 HydrophobicContact CD2-CG1 3.99Å; F497-V502 HydrophobicContact CD2-CG2 3.87Å; F497-V502 HydrophobicContact CE2-CB 4.49Å; F497-V502 HydrophobicContact CE2-CG1 4.2Å; F497-V502 HydrophobicContact CG-CB 4.02Å; F497-V502 HydrophobicContact CG-CG1 4.43Å; F497-V502 HydrophobicContact CG-CG2 3.56Å |
| 498 | K | 89.8 | Confident | 88.3 | Confident | 128 Ų | 128 | 48.7 Ų | 48.7 | 56% | 0.557 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 139.5 | 179.5 | -88.2 | -176.1 | 167.3 | 178.8 | 0 | 111.7 | Q495 | Q495-K498 HydrophobicContact CB-CD 4.02Å; Q495-K498 HydrophobicContact CB-CG 4.18Å; Q495-K498 PolarHBondContact O-N 2.92Å |
| 499 | P | 93.5 | Very high | 88.4 | Confident | 115 Ų | 115 | 50.5 Ų | 50.5 | 75% | 0.747 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -82.8 | -1.3 | 9.6 | 34.3 | -36.8 | 0 | 0 | 0 | 115.7 | ||
| 500 | L | 91.9 | Very high | 88.6 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -69.9 | 140.2 | -178 | -56.8 | 174.8 | 0 | 0 | 0 | 111.9 | M465 Q466 Q469 E471 F497 V502 | M465-L500 HydrophobicContact CB-CD1 3.86Å; Q466-L500 HydrophobicContact CG-CD1 4.09Å; Q469-L500 VanDerWaalsContact OE1-CD2 3.25Å; E471-L500 HydrophobicContact CG-CB 4.34Å; E471-L500 HydrophobicContact CG-CD2 4.25Å; F497-L500 VanDerWaalsContact O-CB 3.31Å; F497-L500 WeakPolarHBondContact O-CB 3.31Å; F497-L500 PolarHBondContact O-N 3.43Å; L500-V502 HydrophobicContact CB-CG2 3.92Å; L500-V502 PolarHBondContact O-N 2.69Å |
| 501 | N | 90.2 | Very high | 88.9 | Confident | 115 Ų | 115 | 50.3 Ų | 50.3 | 62% | 0.615 | 26% | 0.262 | S | S | * | . | trans | -92.1 | 76.3 | 173 | -171.4 | 16.3 | 0 | 0 | 0 | 111 | E471 | E471-N501 PolarHBondContact OE1-N 3.11Š| ||
| 502 | V | 91 | Very high | 89.1 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | trans | -72.8 | 134.6 | -172.1 | 176.9 | 0 | 0 | 0 | 0 | 112.7 | M465 E471 I473 I492 F497 L500 | M465-V502 HydrophobicContact CE-CB 4.42Å; M465-V502 HydrophobicContact CE-CG1 3.96Å; M465-V502 HydrophobicContact CE-CG2 3.5Å; E471-V502 WeakPolarHBondContact O-CA 3.47Å; I473-V502 HydrophobicContact CD1-CG1 3.72Å; I473-V502 HydrophobicContact CG1-CG1 4.14Å; I492-V502 HydrophobicContact CD1-CG1 4.18Å; I492-V502 HydrophobicContact CG1-CB 4.34Å; I492-V502 HydrophobicContact CG1-CG1 4.11Å; F497-V502 HydrophobicContact CB-CB 4.04Å; F497-V502 HydrophobicContact CB-CG2 3.34Å; F497-V502 HydrophobicContact CD1-CG2 4.2Å; F497-V502 HydrophobicContact CD2-CB 3.78Å; F497-V502 HydrophobicContact CD2-CG1 3.99Å; F497-V502 HydrophobicContact CD2-CG2 3.87Å; F497-V502 HydrophobicContact CE2-CB 4.49Å; F497-V502 HydrophobicContact CE2-CG1 4.2Å; F497-V502 HydrophobicContact CG-CB 4.02Å; F497-V502 HydrophobicContact CG-CG1 4.43Å; F497-V502 HydrophobicContact CG-CG2 3.56Å; L500-V502 HydrophobicContact CB-CG2 3.92Å; L500-V502 PolarHBondContact O-N 2.69Å | ||
| 503 | R | 87.9 | Confident | 89.3 | Confident | 49 Ų | 49 | 52.3 Ų | 52.3 | 19% | 0.185 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 156.7 | 172.5 | 58.8 | -178 | 179.9 | 166.1 | -2.5 | 110.8 | E471 I473 F814 | E471-R503 PolarHBondContact O-N 3.09Å; I473-R503 PolarHBondContact N-O 2.85Å; R503-F814 HydrophobicContact CB-CD1 4.04Å; R503-F814 HydrophobicContact CG-CD1 3.81Å; R503-F814 HydrophobicContact CG-CE1 4.08Å; R503-F814 HydrophobicContact CG-CG 4.48Å |
| 504 | Y | 90.1 | Very high | 89.7 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.7 | 174.1 | 80.2 | -82.7 | 0 | 0 | 0 | 113.2 | I473 L475 L488 A489 I492 V506 F814 H815 | I473-Y504 CarbonylContact O-C 3.59Å; I473-Y504 WeakPolarHBondContact O-CA 3.22Å; I473-Y504 WeakPolarHBondContact O-CB 3.41Å; L475-Y504 HydrophobicContact CB-CD2 4.31Å; L475-Y504 HydrophobicContact CD2-CD2 4.22Å; L475-Y504 HydrophobicContact CD2-CE2 4.14Å; L488-Y504 HydrophobicContact CB-CD1 4.42Å; A489-Y504 HydrophobicContact CB-CE1 4.04Å; I492-Y504 HydrophobicContact CD1-CD1 3.77Å; I492-Y504 HydrophobicContact CD1-CE1 4.39Å; Y504-V506 HydrophobicContact CE2-CG2 4.18Å; Y504-F814 VanDerWaalsContact O-CA 3.31Å; Y504-F814 WeakPolarHBondContact O-CA 3.31Å; Y504-H815 HydrophobicContact CD1-CB 4.37Å; Y504-H815 WeakPolarHBondContact CD1-O 3.4Å; Y504-H815 HydrophobicContact CE1-CB 3.65Å; Y504-H815 WeakPolarHBondContact CE1-O 3.44Å; Y504-H815 HydrophobicContact CE2-CB 3.95Å; Y504-H815 VanDerWaalsContact CZ-CB 3.4Å; Y504-H815 PolarHBondContact O-N 2.89Å; Y504-H815 WeakPolarHBondContact OH-CB 3.27Å |
| 505 | A | 86.3 | Confident | 90 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | I473 L475 L542 P812 F814 | I473-A505 PolarHBondContact O-N 3.41Å; L475-A505 PolarHBondContact N-O 3.49Å; A505-L542 HydrophobicContact CB-CD1 4.09Å; A505-L542 HydrophobicContact CB-CD2 4.27Å; A505-P812 HydrophobicContact CB-CB 4Å; A505-F814 HydrophobicContact CB-CD1 3.88Å; A505-F814 HydrophobicContact CB-CE1 3.79Å; A505-F814 HydrophobicContact CB-CZ 4.45Å |
| 506 | V | 85.1 | Confident | 90.3 | Very high | 49 Ų | 49 | 45 Ų | 45 | 30% | 0.297 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 132.7 | 172.8 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | L475 N477 Y504 | L475-V506 CarbonylContact O-C 3.59Å; L475-V506 WeakPolarHBondContact O-CA 3.39Å; N477-V506 HydrophobicContact CB-CG1 3.6Å; Y504-V506 HydrophobicContact CE2-CG2 4.18Å |
| 507 | V | 88 | Confident | 90.6 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 141.2 | -177.3 | -177 | 0 | 0 | 0 | 0 | 108.8 | A474 L475 G476 N477 E509 I538 R541 L542 | A474-V507 HydrophobicContact CB-CG2 3.91Å; L475-V507 PolarHBondContact O-N 2.92Å; G476-V507 CarbonylContact C-O 3.47Å; G476-V507 WeakPolarHBondContact CA-O 3.43Å; N477-V507 PolarHBondContact N-O 3.23Å; V507-E509 PolarHBondContact O-N 3.28Å; V507-I538 HydrophobicContact CB-CG2 4.42Å; V507-R541 HydrophobicContact CG1-CB 3.74Å; V507-L542 HydrophobicContact CG2-CB 4.12Å; V507-L542 HydrophobicContact CG2-CD1 4.14Å |
| 508 | S | 86.1 | Confident | 90.7 | Very high | 31 Ų | 31 | 46.3 Ų | 46.3 | 22% | 0.217 | 26% | 0.261 | C | S | . | . | trans | -59.9 | 124.3 | 173.6 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | N477 C510 R541 | N477-S508 WeakPolarHBondContact OD1-CA 3.47Å; S508-C510 VanDerWaalsContact C-N 3.32Å; S508-C510 WeakPolarHBondContact OG-CB 3.17Å; S508-C510 PolarHBondContact OG-N 3.15Å; S508-R541 WeakPolarHBondContact O-CD 3.49Å; S508-R541 PolarHBondContact O-NH1 3.16Å | ||
| 509 | E | 90.1 | Very high | 90.8 | Very high | 39 Ų | 39 | 49 Ų | 49 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | trans | -90.1 | 1.9 | 171 | 73.9 | 176.2 | -139.1 | 0 | 0 | 112.4 | N477 G478 V507 G511 A512 I538 | N477-E509 PolarHBondContact OD1-N 3.23Å; G478-E509 VanDerWaalsContact CA-OE1 3.22Å; G478-E509 WeakPolarHBondContact CA-OE1 3.47Å; G478-E509 WeakPolarHBondContact CA-OE2 3.44Å; G478-E509 PolarHBondContact N-OE2 3.36Å; V507-E509 PolarHBondContact O-N 3.28Å; E509-G511 PolarHBondContact O-N 3.31Å; E509-G511 VanDerWaalsContact O-N 3.14Å; E509-A512 HydrophobicContact CB-CB 4.42Å; E509-A512 WeakPolarHBondContact O-CB 3.1Å; E509-A512 PolarHBondContact O-N 3.07Å; E509-I538 HydrophobicContact CB-CD1 4.16Å; E509-I538 HydrophobicContact CB-CG1 4.45Å | ||
| 510 | C | 88.6 | Confident | 90.7 | Very high | 45 Ų | 45 | 46.2 Ų | 46.2 | 30% | 0.304 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 123.8 | -179.1 | -75.7 | 0 | 0 | 0 | 0 | 110.8 | S508 A512 R541 H556 | S508-C510 VanDerWaalsContact C-N 3.32Å; S508-C510 WeakPolarHBondContact OG-CB 3.17Å; S508-C510 PolarHBondContact OG-N 3.15Å; C510-A512 VanDerWaalsContact C-N 3.27Å; C510-A512 PolarHBondContact O-N 3.26Å; C510-R541 PolarHBondContact O-NH1 3.46Å; C510-R541 PolarHBondContact O-NH2 2.88Å; C510-H556 CarbonylContact C-O 3.53Å |
| 511 | G | 90.5 | Very high | 90.8 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -2.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | E509 S513 Y514 Y515 L552 H556 | E509-G511 PolarHBondContact O-N 3.31Å; E509-G511 VanDerWaalsContact O-N 3.14Å; G511-S513 PolarHBondContact O-N 3.45Å; G511-Y514 PolarHBondContact O-N 3.11Å; G511-Y514 VanDerWaalsContact O-N 3.07Å; G511-Y515 PolarHBondContact O-N 3.23Å; G511-L552 VanDerWaalsContact O-CD2 3.26Å; G511-L552 WeakPolarHBondContact O-CD2 3.31Å; G511-H556 PolarHBondContact N-O 3.3Å |
| 512 | A | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | E509 C510 Y514 Y515 S516 | E509-A512 HydrophobicContact CB-CB 4.42Å; E509-A512 WeakPolarHBondContact O-CB 3.1Å; E509-A512 PolarHBondContact O-N 3.07Å; C510-A512 VanDerWaalsContact C-N 3.27Å; C510-A512 PolarHBondContact O-N 3.26Å; A512-Y514 VanDerWaalsContact C-N 3.28Å; A512-Y514 PolarHBondContact O-N 3.02Å; A512-Y515 PolarHBondContact O-N 3.08Å; A512-S516 PolarHBondContact O-N 3.15Å |
| 513 | S | 92.1 | Very high | 91 | Very high | 76 Ų | 76 | 48.2 Ų | 48.2 | 53% | 0.531 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.7 | -25.5 | 174.1 | -39.1 | 0 | 0 | 0 | 0 | 113.4 | G511 S516 | G511-S513 PolarHBondContact O-N 3.45Å; S513-S516 WeakPolarHBondContact CA-OG 3.21Å; S513-S516 PolarHBondContact O-OG 3.14Å |
| 514 | Y | 92.5 | Very high | 91.1 | Very high | 146 Ų | 146 | 48.9 Ų | 48.9 | 57% | 0.573 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -78.5 | -39.9 | 174.7 | -75.6 | -82.2 | 0 | 0 | 0 | 111.1 | G511 A512 S518 H556 | G511-Y514 PolarHBondContact O-N 3.11Å; G511-Y514 VanDerWaalsContact O-N 3.07Å; A512-Y514 VanDerWaalsContact C-N 3.28Å; A512-Y514 PolarHBondContact O-N 3.02Å; Y514-S518 WeakPolarHBondContact O-CB 3.45Å; Y514-S518 PolarHBondContact O-N 2.8Å; Y514-H556 AromaticContact CD1-CD2 3.7Å; Y514-H556 AromaticContact CD1-CE1 3.51Å; Y514-H556 AromaticContact CD1-NE2 3.18Å; Y514-H556 WeakPolarHBondContact CD1-NE2 3.26Å; Y514-H556 HydrophobicContact CD2-CB 4.34Å; Y514-H556 AromaticContact CD2-CD2 3.99Å; Y514-H556 AromaticContact CD2-CE1 3.72Å; Y514-H556 AromaticContact CD2-CG 3.74Å; Y514-H556 AromaticContact CD2-ND1 3.57Å; Y514-H556 AromaticContact CD2-NE2 3.99Å; Y514-H556 AromaticContact CE1-CE1 3.24Å; Y514-H556 WeakPolarHBondContact CE1-CE1 3.27Å; Y514-H556 AromaticContact CE1-NE2 3.34Å; Y514-H556 VanDerWaalsContact CE1-NE2 3.34Å; Y514-H556 WeakPolarHBondContact CE1-NE2 3.39Å; Y514-H556 AromaticContact CE2-CE1 3.47Å; Y514-H556 VanDerWaalsContact CE2-CE1 3.47Å; Y514-H556 WeakPolarHBondContact CE2-CE1 3.47Å; Y514-H556 AromaticContact CE2-ND1 3.48Å; Y514-H556 WeakPolarHBondContact CE2-ND1 3.45Å; Y514-H556 AromaticContact CG-CD2 3.54Å; Y514-H556 AromaticContact CG-CE1 3.72Å; Y514-H556 AromaticContact CG-CG 3.78Å; Y514-H556 AromaticContact CG-ND1 3.89Å; Y514-H556 AromaticContact CG-NE2 3.52Å; Y514-H556 AromaticContact CZ-CE1 3.2Å; Y514-H556 AromaticContact CZ-ND1 3.73Å; Y514-H556 AromaticContact CZ-NE2 3.8Å |
| 515 | Y | 94.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.5 | -48.5 | 171 | 166.5 | -100.6 | 0 | 0 | 0 | 110.7 | G511 A512 A517 S518 V520 A521 E524 R540 K551 | G511-Y515 PolarHBondContact O-N 3.23Å; A512-Y515 PolarHBondContact O-N 3.08Å; Y515-A517 PolarHBondContact O-N 3.47Å; Y515-A517 VanDerWaalsContact O-N 3.16Å; Y515-S518 WeakPolarHBondContact O-CB 3.45Å; Y515-S518 PolarHBondContact O-N 3.11Å; Y515-S518 PolarHBondContact O-OG 3.13Å; Y515-V520 HydrophobicContact CE2-CG1 4.46Å; Y515-A521 HydrophobicContact CD1-CB 4.19Å; Y515-A521 HydrophobicContact CD2-CB 4.12Å; Y515-A521 HydrophobicContact CE1-CB 3.86Å; Y515-A521 HydrophobicContact CE2-CB 3.78Å; Y515-A521 HydrophobicContact CG-CB 4.32Å; Y515-A521 WeakPolarHBondContact O-CB 3.37Å; Y515-E524 PolarHBondContact OH-OE2 3.23Å; Y515-R540 PolarHBondContact OH-NH1 3.12Å; Y515-K551 HydrophobicContact CD2-CB 4.27Å; Y515-K551 HydrophobicContact CD2-CD 4.43Å; Y515-K551 HydrophobicContact CE2-CB 4.44Å; Y515-K551 HydrophobicContact CE2-CD 3.83Å |
| 516 | S | 94.9 | Very high | 91.7 | Very high | 11 Ų | 11 | 53 Ų | 53 | 8% | 0.077 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.8 | -36.9 | -175.3 | 62.5 | 0 | 0 | 0 | 0 | 113.5 | A512 S513 V530 R533 | A512-S516 PolarHBondContact O-N 3.15Å; S513-S516 WeakPolarHBondContact CA-OG 3.21Å; S513-S516 PolarHBondContact O-OG 3.14Å; S516-V530 WeakPolarHBondContact CB-O 3.5Å; S516-R533 VanDerWaalsContact O-CD 3.25Å; S516-R533 WeakPolarHBondContact O-CD 3.44Å; S516-R533 PolarHBondContact O-NH1 3.16Å; S516-R533 VanDerWaalsContact O-NH1 3.08Å |
| 517 | A | 94.3 | Very high | 92.2 | Very high | 71 Ų | 71 | 58.5 Ų | 58.5 | 59% | 0.587 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 1.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y515 | Y515-A517 PolarHBondContact O-N 3.47Å; Y515-A517 VanDerWaalsContact O-N 3.16Å |
| 518 | S | 94 | Very high | 92.5 | Very high | 29 Ų | 29 | 58.8 Ų | 58.8 | 20% | 0.203 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -78.8 | 156.5 | -177.3 | 76.2 | 0 | 0 | 0 | 0 | 112.7 | Y514 Y515 V520 A521 C522 | Y514-S518 WeakPolarHBondContact O-CB 3.45Å; Y514-S518 PolarHBondContact O-N 2.8Å; Y515-S518 WeakPolarHBondContact O-CB 3.45Å; Y515-S518 PolarHBondContact O-N 3.11Å; Y515-S518 PolarHBondContact O-OG 3.13Å; S518-V520 PolarHBondContact O-N 3.27Å; S518-V520 PolarHBondContact OG-N 3.14Å; S518-A521 PolarHBondContact O-N 2.89Å; S518-A521 PolarHBondContact OG-N 3.08Å; S518-A521 VanDerWaalsContact OG-N 3.14Å; S518-C522 PolarHBondContact O-N 2.84Å; S518-C522 PolarHBondContact O-SG 3.32Å; S518-C522 VanDerWaalsContact O-SG 3.36Å |
| 519 | K | 92.5 | Very high | 92.9 | Very high | 185 Ų | 185 | 61.7 Ų | 61.7 | 80% | 0.804 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59 | -34.4 | 172.3 | -65.2 | -178.2 | -179.2 | 179.5 | 0 | 112.2 | C522 T523 | K519-C522 PolarHBondContact O-N 3.47Å; K519-T523 PolarHBondContact O-N 3.14Å; K519-T523 PolarHBondContact O-OG1 2.87Å |
| 520 | V | 91.2 | Very high | 93.1 | Very high | 57 Ų | 57 | 62.9 Ų | 62.9 | 35% | 0.345 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.1 | -50.6 | 178.2 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | Y515 S518 C522 T523 E524 K551 | Y515-V520 HydrophobicContact CE2-CG1 4.46Å; S518-V520 PolarHBondContact O-N 3.27Å; S518-V520 PolarHBondContact OG-N 3.14Å; V520-C522 PolarHBondContact O-N 2.87Å; V520-T523 PolarHBondContact O-N 3.44Å; V520-T523 VanDerWaalsContact O-N 3.12Å; V520-E524 HydrophobicContact CG1-CG 4.38Å; V520-E524 WeakPolarHBondContact O-CG 3.33Å; V520-E524 PolarHBondContact O-N 3.48Å; V520-K551 HydrophobicContact CG1-CD 4.46Å |
| 521 | A | 93.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y515 S518 T523 E524 L525 | Y515-A521 HydrophobicContact CD1-CB 4.19Å; Y515-A521 HydrophobicContact CD2-CB 4.12Å; Y515-A521 HydrophobicContact CE1-CB 3.86Å; Y515-A521 HydrophobicContact CE2-CB 3.78Å; Y515-A521 HydrophobicContact CG-CB 4.32Å; Y515-A521 WeakPolarHBondContact O-CB 3.37Å; S518-A521 PolarHBondContact O-N 2.89Å; S518-A521 PolarHBondContact OG-N 3.08Å; S518-A521 VanDerWaalsContact OG-N 3.14Å; A521-T523 PolarHBondContact O-N 3.09Å; A521-E524 PolarHBondContact O-N 3.09Å; A521-L525 PolarHBondContact O-N 3.26Å |
| 522 | C | 93.7 | Very high | 93.5 | Very high | 60 Ų | 60 | 64.1 Ų | 64.1 | 41% | 0.405 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.2 | -32.4 | 173 | -66.8 | 0 | 0 | 0 | 0 | 112.7 | S518 K519 V520 P526 R533 | S518-C522 PolarHBondContact O-N 2.84Å; S518-C522 PolarHBondContact O-SG 3.32Å; S518-C522 VanDerWaalsContact O-SG 3.36Å; K519-C522 PolarHBondContact O-N 3.47Å; V520-C522 PolarHBondContact O-N 2.87Å; C522-P526 WeakPolarHBondContact O-CA 3.19Å; C522-R533 PolarHBondContact SG-NH1 3.03Å |
| 523 | T | 92.3 | Very high | 93.7 | Very high | 116 Ų | 116 | 64.8 Ų | 64.8 | 71% | 0.712 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -80.3 | -39.2 | 178.2 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | K519 V520 A521 | K519-T523 PolarHBondContact O-N 3.14Å; K519-T523 PolarHBondContact O-OG1 2.87Å; V520-T523 PolarHBondContact O-N 3.44Å; V520-T523 VanDerWaalsContact O-N 3.12Å; A521-T523 PolarHBondContact O-N 3.09Å |
| 524 | E | 90.7 | Very high | 93.9 | Very high | 63 Ų | 63 | 61.2 Ų | 61.2 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -73.9 | -35.1 | -179 | -72.8 | -175.7 | 175 | 0 | 0 | 113 | Y515 V520 A521 R540 K551 H596 | Y515-E524 PolarHBondContact OH-OE2 3.23Å; V520-E524 HydrophobicContact CG1-CG 4.38Å; V520-E524 WeakPolarHBondContact O-CG 3.33Å; V520-E524 PolarHBondContact O-N 3.48Å; A521-E524 PolarHBondContact O-N 3.09Å; E524-R540 IonicContact OE2-NH1 3.46Å; E524-R540 PolarHBondContact OE2-NH1 2.97Å; E524-K551 VanDerWaalsContact OE1-CE 3.29Å; E524-K551 WeakPolarHBondContact OE1-CE 3.39Å; E524-K551 IonicContact OE1-NZ 2.69Å; E524-K551 PolarHBondContact OE1-NZ 3.32Å; E524-K551 IonicContact OE2-NZ 2.87Å; E524-K551 PolarHBondContact OE2-NZ 3.28Å; E524-H596 IonicContact OE1-CE1 3.22Å |
| 525 | L | 94.8 | Very high | 94.1 | Very high | 20 Ų | 20 | 54.3 Ų | 54.3 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | trans | -136.5 | 61.9 | -171 | -60.9 | 170 | 0 | 0 | 0 | 110.9 | V426 A521 D527 L528 R533 V536 | V426-L525 HydrophobicContact CG2-CD2 3.96Å; A521-L525 PolarHBondContact O-N 3.26Å; L525-D527 VanDerWaalsContact C-N 3.33Å; L525-D527 PolarHBondContact O-N 3.01Å; L525-L528 HydrophobicContact CB-CB 4.07Å; L525-L528 HydrophobicContact CD1-CD2 4.17Å; L525-L528 PolarHBondContact O-N 3.16Å; L525-R533 HydrophobicContact CB-CG 4.46Å; L525-R533 HydrophobicContact CD1-CG 4.18Å; L525-R533 PolarHBondContact O-NE 3.02Å; L525-R533 PolarHBondContact O-NH2 3.07Å; L525-R533 VanDerWaalsContact O-NH2 3.12Å; L525-V536 HydrophobicContact CD1-CB 4.25Å; L525-V536 HydrophobicContact CD1-CG1 3.93Å; L525-V536 HydrophobicContact CD1-CG2 4.37Å | ||
| 526 | P | 94.4 | Very high | 94.2 | Very high | 83 Ų | 83 | 54.1 Ų | 54.1 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -39.1 | -173.4 | 25.2 | -33.9 | 0 | 0 | 0 | 112.5 | C522 L528 | C522-P526 WeakPolarHBondContact O-CA 3.19Å; P526-L528 VanDerWaalsContact C-N 3.32Å; P526-L528 PolarHBondContact O-N 3.24Å |
| 527 | D | 94.3 | Very high | 94.3 | Very high | 164 Ų | 164 | 53.6 Ų | 53.6 | 88% | 0.877 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -5.2 | -175.2 | -52.4 | -48.7 | 0 | 0 | 0 | 113.5 | L525 | L525-D527 VanDerWaalsContact C-N 3.33Å; L525-D527 PolarHBondContact O-N 3.01Å |
| 528 | L | 95.3 | Very high | 94.4 | Very high | 26 Ų | 26 | 50.2 Ų | 50.2 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -96.7 | 129.4 | -179.6 | -167.9 | 68.1 | 0 | 0 | 0 | 110.9 | T429 L525 P526 F532 R533 V536 | T429-L528 HydrophobicContact CG2-CD1 3.87Å; L525-L528 HydrophobicContact CB-CB 4.07Å; L525-L528 HydrophobicContact CD1-CD2 4.17Å; L525-L528 PolarHBondContact O-N 3.16Å; P526-L528 VanDerWaalsContact C-N 3.32Å; P526-L528 PolarHBondContact O-N 3.24Å; L528-F532 HydrophobicContact CD1-CB 4Å; L528-F532 HydrophobicContact CD1-CD2 4.37Å; L528-F532 HydrophobicContact CD2-CB 3.99Å; L528-F532 HydrophobicContact CG-CB 3.98Å; L528-R533 HydrophobicContact CD2-CG 4.08Å; L528-R533 HydrophobicContact CG-CG 4.41Å; L528-R533 PolarHBondContact O-NE 2.81Å; L528-R533 PolarHBondContact O-NH2 3.12Å; L528-V536 HydrophobicContact CD2-CG2 3.68Å |
| 529 | D | 93.8 | Very high | 94.5 | Very high | 92 Ų | 92 | 48.9 Ų | 48.9 | 49% | 0.492 | 27% | 0.268 | S | S | . | . | trans | -57.4 | 144 | 174.7 | 179.2 | -97.4 | 0 | 0 | 0 | 111.9 | S531 F532 | D529-S531 PolarHBondContact O-N 3.24Å; D529-S531 VanDerWaalsContact O-N 3.11Å; D529-S531 WeakPolarHBondContact OD1-CB 3.27Å; D529-S531 PolarHBondContact OD1-N 3.07Å; D529-S531 PolarHBondContact OD1-OG 2.88Å; D529-F532 HydrophobicContact CB-CD2 3.98Å; D529-F532 HydrophobicContact CB-CE2 4.31Å; D529-F532 PolarHBondContact O-N 2.84Å | ||
| 530 | V | 94 | Very high | 94.6 | Very high | 63 Ų | 63 | 41.7 Ų | 41.7 | 38% | 0.382 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -56.8 | -32.3 | -175.1 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | S516 F532 R533 | S516-V530 WeakPolarHBondContact CB-O 3.5Å; V530-F532 VanDerWaalsContact C-N 3.29Å; V530-F532 PolarHBondContact O-N 3.09Å; V530-R533 PolarHBondContact O-N 2.6Å |
| 531 | S | 91.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 32% | 0.322 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.7 | -25.4 | -179.1 | 69.6 | 0 | 0 | 0 | 0 | 114 | D529 | D529-S531 PolarHBondContact O-N 3.24Å; D529-S531 VanDerWaalsContact O-N 3.11Å; D529-S531 WeakPolarHBondContact OD1-CB 3.27Å; D529-S531 PolarHBondContact OD1-N 3.07Å; D529-S531 PolarHBondContact OD1-OG 2.88Å |
| 532 | F | 96.1 | Very high | 94.7 | Very high | 35 Ų | 35 | 39.8 Ų | 39.8 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -92.9 | -20.7 | -179.8 | -61.9 | -68.6 | 0 | 0 | 0 | 113.7 | K416 T429 G430 I431 L528 D529 V530 G534 A535 V536 | K416-F532 HydrophobicContact CB-CD1 4Å; K416-F532 HydrophobicContact CB-CE1 4.32Å; K416-F532 HydrophobicContact CG-CD1 4.01Å; K416-F532 HydrophobicContact CG-CE1 4.03Å; T429-F532 HydrophobicContact CG2-CB 4.21Å; T429-F532 HydrophobicContact CG2-CG 4.44Å; G430-F532 WeakPolarHBondContact O-CE1 3.37Å; I431-F532 HydrophobicContact CD1-CZ 4.36Å; I431-F532 HydrophobicContact CG1-CE1 3.87Å; I431-F532 HydrophobicContact CG1-CZ 4.07Å; L528-F532 HydrophobicContact CD1-CB 4Å; L528-F532 HydrophobicContact CD1-CD2 4.37Å; L528-F532 HydrophobicContact CD2-CB 3.99Å; L528-F532 HydrophobicContact CG-CB 3.98Å; D529-F532 HydrophobicContact CB-CD2 3.98Å; D529-F532 HydrophobicContact CB-CE2 4.31Å; D529-F532 PolarHBondContact O-N 2.84Å; V530-F532 VanDerWaalsContact C-N 3.29Å; V530-F532 PolarHBondContact O-N 3.09Å; F532-G534 PolarHBondContact O-N 2.52Å; F532-A535 WeakPolarHBondContact O-CB 3.37Å; F532-A535 PolarHBondContact O-N 3.36Å; F532-V536 PolarHBondContact O-N 2.9Å; F532-V536 VanDerWaalsContact O-N 3.15Å |
| 533 | R | 97 | Very high | 94.5 | Very high | 15 Ų | 15 | 37 Ų | 37 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.4 | -28.3 | -178.8 | -62.5 | 172.7 | -171.1 | -176.7 | -4.8 | 112.6 | S516 C522 L525 L528 V530 V536 S537 | S516-R533 VanDerWaalsContact O-CD 3.25Å; S516-R533 WeakPolarHBondContact O-CD 3.44Å; S516-R533 PolarHBondContact O-NH1 3.16Å; S516-R533 VanDerWaalsContact O-NH1 3.08Å; C522-R533 PolarHBondContact SG-NH1 3.03Å; L525-R533 HydrophobicContact CB-CG 4.46Å; L525-R533 HydrophobicContact CD1-CG 4.18Å; L525-R533 PolarHBondContact O-NE 3.02Å; L525-R533 PolarHBondContact O-NH2 3.07Å; L525-R533 VanDerWaalsContact O-NH2 3.12Å; L528-R533 HydrophobicContact CD2-CG 4.08Å; L528-R533 HydrophobicContact CG-CG 4.41Å; L528-R533 PolarHBondContact O-NE 2.81Å; L528-R533 PolarHBondContact O-NH2 3.12Å; V530-R533 PolarHBondContact O-N 2.6Å; R533-V536 PolarHBondContact O-N 3.08Å; R533-S537 PolarHBondContact O-N 3.32Å |
| 534 | G | 95.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.3 | -47.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F532 V536 S537 I538 | F532-G534 PolarHBondContact O-N 2.52Å; G534-V536 VanDerWaalsContact C-N 3.33Å; G534-V536 PolarHBondContact O-N 2.95Å; G534-S537 WeakPolarHBondContact O-CB 3.35Å; G534-S537 PolarHBondContact O-N 3.39Å; G534-S537 VanDerWaalsContact O-N 3.16Å; G534-I538 WeakPolarHBondContact O-CG1 3.24Å; G534-I538 PolarHBondContact O-N 3.44Å |
| 535 | A | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D408 K416 A418 F532 I538 A539 | D408-A535 HydrophobicContact CB-CB 4Å; K416-A535 HydrophobicContact CB-CB 4.31Å; A418-A535 HydrophobicContact CB-CB 3.88Å; F532-A535 WeakPolarHBondContact O-CB 3.37Å; F532-A535 PolarHBondContact O-N 3.36Å; A535-I538 PolarHBondContact O-N 3.21Å; A535-A539 PolarHBondContact O-N 3.12Å |
| 536 | V | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 173 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | A418 V426 L525 L528 F532 R533 G534 I538 A539 R540 | A418-V536 HydrophobicContact CB-CB 4.46Å; A418-V536 HydrophobicContact CB-CG2 3.62Å; V426-V536 HydrophobicContact CG2-CB 4.49Å; V426-V536 HydrophobicContact CG2-CG1 3.94Å; V426-V536 HydrophobicContact CG2-CG2 3.65Å; L525-V536 HydrophobicContact CD1-CB 4.25Å; L525-V536 HydrophobicContact CD1-CG1 3.93Å; L525-V536 HydrophobicContact CD1-CG2 4.37Å; L528-V536 HydrophobicContact CD2-CG2 3.68Å; F532-V536 PolarHBondContact O-N 2.9Å; F532-V536 VanDerWaalsContact O-N 3.15Å; R533-V536 PolarHBondContact O-N 3.08Å; G534-V536 VanDerWaalsContact C-N 3.33Å; G534-V536 PolarHBondContact O-N 2.95Å; V536-I538 VanDerWaalsContact C-N 3.33Å; V536-I538 PolarHBondContact O-N 3.43Å; V536-A539 PolarHBondContact O-N 2.69Å; V536-R540 HydrophobicContact CG1-CG 4.34Å; V536-R540 WeakPolarHBondContact O-CB 3.42Å; V536-R540 WeakPolarHBondContact O-CG 3.36Å; V536-R540 PolarHBondContact O-N 3.14Å |
| 537 | S | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 176.5 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | R533 G534 A539 R540 R541 E548 | R533-S537 PolarHBondContact O-N 3.32Å; G534-S537 WeakPolarHBondContact O-CB 3.35Å; G534-S537 PolarHBondContact O-N 3.39Å; G534-S537 VanDerWaalsContact O-N 3.16Å; S537-A539 PolarHBondContact O-N 3Å; S537-R540 PolarHBondContact O-N 3.18Å; S537-R541 WeakPolarHBondContact O-CB 3.48Å; S537-R541 WeakPolarHBondContact O-CG 3.32Å; S537-R541 PolarHBondContact O-N 2.83Å; S537-R541 PolarHBondContact OG-NE 3.02Å; S537-R541 PolarHBondContact OG-NH2 2.88Å; S537-E548 WeakPolarHBondContact CA-OE1 3.44Å; S537-E548 VanDerWaalsContact CB-OE1 3.25Å; S537-E548 WeakPolarHBondContact CB-OE1 3.43Å; S537-E548 PolarHBondContact OG-OE1 3.32Å |
| 538 | I | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 177.3 | -69 | 165.8 | 0 | 0 | 0 | 111.4 | D408 A474 V507 E509 G534 A535 V536 L542 | D408-I538 HydrophobicContact CB-CD1 3.78Å; A474-I538 HydrophobicContact CB-CG2 3.82Å; V507-I538 HydrophobicContact CB-CG2 4.42Å; E509-I538 HydrophobicContact CB-CD1 4.16Å; E509-I538 HydrophobicContact CB-CG1 4.45Å; G534-I538 WeakPolarHBondContact O-CG1 3.24Å; G534-I538 PolarHBondContact O-N 3.44Å; A535-I538 PolarHBondContact O-N 3.21Å; V536-I538 VanDerWaalsContact C-N 3.33Å; V536-I538 PolarHBondContact O-N 3.43Å; I538-L542 PolarHBondContact O-N 2.82Å |
| 539 | A | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.2 | -51.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V404 C420 A535 V536 S537 R541 L542 Q543 | V404-A539 HydrophobicContact CB-CB 4.43Å; V404-A539 HydrophobicContact CG1-CB 4.07Å; C420-A539 HydrophobicContact CB-CB 4.19Å; A535-A539 PolarHBondContact O-N 3.12Å; V536-A539 PolarHBondContact O-N 2.69Å; S537-A539 PolarHBondContact O-N 3Å; A539-R541 VanDerWaalsContact C-N 3.31Å; A539-R541 PolarHBondContact O-N 3.08Å; A539-L542 PolarHBondContact O-N 2.8Å; A539-L542 VanDerWaalsContact O-N 3.12Å; A539-Q543 PolarHBondContact O-N 3.29Å |
| 540 | R | 94.7 | Very high | 93.7 | Very high | 35 Ų | 35 | 13.9 Ų | 13.9 | 13% | 0.132 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.6 | -33.3 | -177.8 | -72.2 | 176.4 | 177.4 | 174 | -4.7 | 112.9 | G424 Y515 E524 V536 S537 L542 Q543 D544 E548 | G424-R540 VanDerWaalsContact O-CZ 3.26Å; G424-R540 PolarHBondContact O-NE 3.23Å; G424-R540 PolarHBondContact O-NH2 3.36Å; Y515-R540 PolarHBondContact OH-NH1 3.12Å; E524-R540 IonicContact OE2-NH1 3.46Å; E524-R540 PolarHBondContact OE2-NH1 2.97Å; V536-R540 HydrophobicContact CG1-CG 4.34Å; V536-R540 WeakPolarHBondContact O-CB 3.42Å; V536-R540 WeakPolarHBondContact O-CG 3.36Å; V536-R540 PolarHBondContact O-N 3.14Å; S537-R540 PolarHBondContact O-N 3.18Å; R540-L542 VanDerWaalsContact C-N 3.33Å; R540-L542 PolarHBondContact O-N 2.73Å; R540-Q543 PolarHBondContact O-N 3.02Å; R540-D544 PolarHBondContact O-N 3.08Å; R540-E548 HydrophobicContact CB-CB 4.2Å; R540-E548 HydrophobicContact CB-CG 3.84Å; R540-E548 WeakPolarHBondContact CD-OE2 3.37Å |
| 541 | R | 93.2 | Very high | 93.6 | Very high | 8 Ų | 8 | 12.5 Ų | 12.5 | 3% | 0.03 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.6 | -38.8 | 173.7 | -77 | 171.8 | -157.3 | -149 | -3.1 | 112.5 | V507 S508 C510 S537 A539 Q543 P545 E548 L549 | V507-R541 HydrophobicContact CG1-CB 3.74Å; S508-R541 WeakPolarHBondContact O-CD 3.49Å; S508-R541 PolarHBondContact O-NH1 3.16Å; C510-R541 PolarHBondContact O-NH1 3.46Å; C510-R541 PolarHBondContact O-NH2 2.88Å; S537-R541 WeakPolarHBondContact O-CB 3.48Å; S537-R541 WeakPolarHBondContact O-CG 3.32Å; S537-R541 PolarHBondContact O-N 2.83Å; S537-R541 PolarHBondContact OG-NE 3.02Å; S537-R541 PolarHBondContact OG-NH2 2.88Å; A539-R541 VanDerWaalsContact C-N 3.31Å; A539-R541 PolarHBondContact O-N 3.08Å; R541-Q543 VanDerWaalsContact C-N 3.34Å; R541-P545 WeakPolarHBondContact O-CA 3.37Å; R541-P545 VanDerWaalsContact O-CD 3.24Å; R541-P545 WeakPolarHBondContact O-CD 3.44Å; R541-P545 VanDerWaalsContact O-CG 3.23Å; R541-P545 WeakPolarHBondContact O-CG 3.42Å; R541-E548 HydrophobicContact CB-CG 4.49Å; R541-E548 HydrophobicContact CG-CB 4.02Å; R541-E548 HydrophobicContact CG-CG 3.59Å; R541-L549 HydrophobicContact CG-CD2 4.34Å |
| 542 | L | 91.5 | Very high | 93.6 | Very high | 9 Ų | 9 | 10.8 Ų | 10.8 | 5% | 0.047 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -70.9 | -33.9 | 176.4 | -172.3 | 59.5 | 0 | 0 | 0 | 111.5 | L371 V404 T472 A474 A505 V507 I538 A539 R540 P812 | L371-L542 WeakPolarHBondContact CB-O 3.29Å; L371-L542 HydrophobicContact CD2-CD2 4.38Å; L371-L542 HydrophobicContact CD2-CG 4.21Å; V404-L542 HydrophobicContact CG1-CB 4.47Å; V404-L542 HydrophobicContact CG1-CD2 4.14Å; T472-L542 HydrophobicContact CG2-CD2 3.71Å; A474-L542 HydrophobicContact CB-CB 3.84Å; A474-L542 HydrophobicContact CB-CD2 3.69Å; A474-L542 HydrophobicContact CB-CG 4.39Å; A505-L542 HydrophobicContact CB-CD1 4.09Å; A505-L542 HydrophobicContact CB-CD2 4.27Å; V507-L542 HydrophobicContact CG2-CB 4.12Å; V507-L542 HydrophobicContact CG2-CD1 4.14Å; I538-L542 PolarHBondContact O-N 2.82Å; A539-L542 PolarHBondContact O-N 2.8Å; A539-L542 VanDerWaalsContact O-N 3.12Å; R540-L542 VanDerWaalsContact C-N 3.33Å; R540-L542 PolarHBondContact O-N 2.73Å; L542-P812 HydrophobicContact CD1-CB 3.9Å; L542-P812 HydrophobicContact CD1-CG 3.63Å |
| 543 | Q | 91.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.009 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -69.5 | -49.4 | 177.3 | -66.9 | 179.9 | -46.5 | 0 | 0 | 112.2 | P370 L371 L402 V404 D421 A539 R540 R541 | P370-Q543 CarbonylContact C-O 3.39Å; P370-Q543 WeakPolarHBondContact CA-O 3.19Å; P370-Q543 WeakPolarHBondContact CB-O 3.44Å; L371-Q543 PolarHBondContact N-O 3.22Å; L402-Q543 PolarHBondContact O-NE2 3.46Å; V404-Q543 HydrophobicContact CB-CG 4.17Å; V404-Q543 HydrophobicContact CG2-CG 3.65Å; D421-Q543 PolarHBondContact O-NE2 3.15Å; A539-Q543 PolarHBondContact O-N 3.29Å; R540-Q543 PolarHBondContact O-N 3.02Å; R541-Q543 VanDerWaalsContact C-N 3.34Å |
| 544 | D | 89.6 | Confident | 92.6 | Very high | 11 Ų | 11 | 14.5 Ų | 14.5 | 6% | 0.059 | 8% | 0.075 | C | C | . | . | trans | -152.1 | 97.4 | 177.3 | -173.3 | -9.8 | 0 | 0 | 0 | 110.9 | P370 R401 R540 L546 A547 E548 R806 | P370-D544 HydrophobicContact CB-CB 4.28Å; R401-D544 IonicContact CZ-OD2 2.89Å; R401-D544 IonicContact NH1-OD2 3.44Å; R401-D544 IonicContact NH2-OD2 2.81Å; R401-D544 PolarHBondContact NH2-OD2 3.43Å; R540-D544 PolarHBondContact O-N 3.08Å; D544-L546 VanDerWaalsContact C-N 3.28Å; D544-L546 PolarHBondContact O-N 2.92Å; D544-L546 WeakPolarHBondContact OD1-CB 3.39Å; D544-L546 PolarHBondContact OD1-N 2.93Å; D544-A547 HydrophobicContact CB-CB 4.04Å; D544-A547 PolarHBondContact O-N 3.32Å; D544-A547 PolarHBondContact OD1-N 3.41Å; D544-A547 WeakPolarHBondContact OD2-CB 3.46Å; D544-E548 PolarHBondContact O-N 3.5Å; D544-R806 IonicContact OD1-CZ 3.22Å; D544-R806 IonicContact OD1-NH1 2.82Å; D544-R806 PolarHBondContact OD1-NH1 2.87Å; D544-R806 IonicContact OD1-NH2 2.69Å; D544-R806 IonicContact OD2-NH2 3.64Å | ||
| 545 | P | 90.1 | Very high | 92 | Very high | 12 Ų | 12 | 19 Ų | 19 | 8% | 0.078 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.3 | -40.7 | -180 | -26.1 | 32.9 | 0 | 0 | 0 | 113.2 | T368 R541 L549 | T368-P545 HydrophobicContact CG2-CG 3.79Å; R541-P545 WeakPolarHBondContact O-CA 3.37Å; R541-P545 VanDerWaalsContact O-CD 3.24Å; R541-P545 WeakPolarHBondContact O-CD 3.44Å; R541-P545 VanDerWaalsContact O-CG 3.23Å; R541-P545 WeakPolarHBondContact O-CG 3.42Å; P545-L549 HydrophobicContact CB-CD1 4.16Å; P545-L549 WeakPolarHBondContact O-CB 3.5Å; P545-L549 WeakPolarHBondContact O-CD1 3.48Å; P545-L549 WeakPolarHBondContact O-CG 3.23Å; P545-L549 PolarHBondContact O-N 2.9Å |
| 546 | L | 92 | Very high | 91.6 | Very high | 10 Ų | 10 | 20 Ų | 20 | 5% | 0.052 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.9 | -52.5 | -178.5 | -178.3 | 68.4 | 0 | 0 | 0 | 110.5 | L366 D544 E548 V550 C582 I583 V586 R806 | L366-L546 HydrophobicContact CB-CD1 3.81Å; L366-L546 HydrophobicContact CD1-CD1 4.39Å; L366-L546 HydrophobicContact CD2-CD1 4.14Å; L366-L546 HydrophobicContact CG-CD1 4.32Å; D544-L546 VanDerWaalsContact C-N 3.28Å; D544-L546 PolarHBondContact O-N 2.92Å; D544-L546 WeakPolarHBondContact OD1-CB 3.39Å; D544-L546 PolarHBondContact OD1-N 2.93Å; L546-E548 VanDerWaalsContact C-N 3.25Å; L546-E548 PolarHBondContact O-N 3.45Å; L546-V550 HydrophobicContact CD1-CG1 4.27Å; L546-V550 WeakPolarHBondContact O-CG1 3.25Å; L546-V550 WeakPolarHBondContact O-CG2 3.4Å; L546-V550 PolarHBondContact O-N 3.5Å; L546-C582 HydrophobicContact CD1-CB 4.11Å; L546-I583 HydrophobicContact CD1-CG1 3.92Å; L546-I583 HydrophobicContact CD2-CG1 4.34Å; L546-I583 HydrophobicContact CG-CG1 4.33Å; L546-V586 HydrophobicContact CD2-CB 4.23Å; L546-V586 HydrophobicContact CD2-CG1 4.24Å; L546-V586 HydrophobicContact CD2-CG2 4.1Å; L546-R806 VanDerWaalsContact CB-NH1 3.27Å |
| 547 | A | 89.9 | Confident | 91.1 | Very high | 27 Ų | 27 | 20.1 Ų | 20.1 | 22% | 0.223 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.8 | -29.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D544 V550 K551 | D544-A547 HydrophobicContact CB-CB 4.04Å; D544-A547 PolarHBondContact O-N 3.32Å; D544-A547 PolarHBondContact OD1-N 3.41Å; D544-A547 WeakPolarHBondContact OD2-CB 3.46Å; A547-V550 WeakPolarHBondContact O-CG2 3.34Å; A547-K551 WeakPolarHBondContact O-CE 3.44Å |
| 548 | E | 92.7 | Very high | 90.3 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -91.8 | -40.2 | -177.8 | -171.5 | 57 | -161 | 0 | 0 | 112.8 | S537 R540 R541 D544 L546 V550 K551 | S537-E548 WeakPolarHBondContact CA-OE1 3.44Å; S537-E548 VanDerWaalsContact CB-OE1 3.25Å; S537-E548 WeakPolarHBondContact CB-OE1 3.43Å; S537-E548 PolarHBondContact OG-OE1 3.32Å; R540-E548 HydrophobicContact CB-CB 4.2Å; R540-E548 HydrophobicContact CB-CG 3.84Å; R540-E548 WeakPolarHBondContact CD-OE2 3.37Å; R541-E548 HydrophobicContact CB-CG 4.49Å; R541-E548 HydrophobicContact CG-CB 4.02Å; R541-E548 HydrophobicContact CG-CG 3.59Å; D544-E548 PolarHBondContact O-N 3.5Å; L546-E548 VanDerWaalsContact C-N 3.25Å; L546-E548 PolarHBondContact O-N 3.45Å; E548-V550 PolarHBondContact O-N 3.07Å; E548-K551 WeakPolarHBondContact O-CB 3.29Å; E548-K551 PolarHBondContact O-N 3.11Å; E548-K551 WeakPolarHBondContact OE2-CE 3.44Å; E548-K551 IonicContact OE2-NZ 3.95Å; E548-K551 PolarHBondContact OE2-NZ 3.26Å |
| 549 | L | 92.7 | Very high | 89.6 | Confident | 7 Ų | 7 | 22.2 Ų | 22.2 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -72.4 | -26.2 | -176.2 | -68.6 | 171 | 0 | 0 | 0 | 113.7 | L365 L366 R541 P545 K551 L552 L557 | L365-L549 HydrophobicContact CD1-CD1 4.2Å; L365-L549 HydrophobicContact CD2-CD1 3.5Å; L365-L549 HydrophobicContact CG-CD1 3.45Å; L365-L549 VanDerWaalsContact CG-CD1 3.45Å; L366-L549 HydrophobicContact CD2-CB 3.82Å; L366-L549 HydrophobicContact CD2-CD1 4.16Å; R541-L549 HydrophobicContact CG-CD2 4.34Å; P545-L549 HydrophobicContact CB-CD1 4.16Å; P545-L549 WeakPolarHBondContact O-CB 3.5Å; P545-L549 WeakPolarHBondContact O-CD1 3.48Å; P545-L549 WeakPolarHBondContact O-CG 3.23Å; P545-L549 PolarHBondContact O-N 2.9Å; L549-K551 PolarHBondContact O-N 3.49Å; L549-K551 VanDerWaalsContact O-N 3.12Å; L549-L552 HydrophobicContact CD2-CD1 3.87Å; L549-L552 WeakPolarHBondContact O-CB 3.34Å; L549-L552 PolarHBondContact O-N 3.36Å; L549-L552 VanDerWaalsContact O-N 3.07Å; L549-L557 HydrophobicContact CB-CD2 4.28Å |
| 550 | V | 91.8 | Very high | 88.8 | Confident | 7 Ų | 7 | 22.8 Ų | 22.8 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.2 | 176.9 | -64.9 | 0 | 0 | 0 | 0 | 113.5 | L546 A547 E548 L552 M579 I583 I597 | L546-V550 HydrophobicContact CD1-CG1 4.27Å; L546-V550 WeakPolarHBondContact O-CG1 3.25Å; L546-V550 WeakPolarHBondContact O-CG2 3.4Å; L546-V550 PolarHBondContact O-N 3.5Å; A547-V550 WeakPolarHBondContact O-CG2 3.34Å; E548-V550 PolarHBondContact O-N 3.07Å; V550-L552 VanDerWaalsContact C-N 3.29Å; V550-M579 HydrophobicContact CG1-CG 4.37Å; V550-M579 HydrophobicContact CG1-SD 4.39Å; V550-I583 HydrophobicContact CG1-CD1 3.89Å; V550-I597 HydrophobicContact CG2-CD1 3.69Å |
| 551 | K | 91.3 | Very high | 88.1 | Confident | 34 Ų | 34 | 24.8 Ų | 24.8 | 15% | 0.148 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -13.8 | 176.6 | -55.8 | 177.5 | -175.8 | 175.5 | 0 | 112.6 | Y515 V520 E524 A547 E548 L549 | Y515-K551 HydrophobicContact CD2-CB 4.27Å; Y515-K551 HydrophobicContact CD2-CD 4.43Å; Y515-K551 HydrophobicContact CE2-CB 4.44Å; Y515-K551 HydrophobicContact CE2-CD 3.83Å; V520-K551 HydrophobicContact CG1-CD 4.46Å; E524-K551 VanDerWaalsContact OE1-CE 3.29Å; E524-K551 WeakPolarHBondContact OE1-CE 3.39Å; E524-K551 IonicContact OE1-NZ 2.69Å; E524-K551 PolarHBondContact OE1-NZ 3.32Å; E524-K551 IonicContact OE2-NZ 2.87Å; E524-K551 PolarHBondContact OE2-NZ 3.28Å; A547-K551 WeakPolarHBondContact O-CE 3.44Å; E548-K551 WeakPolarHBondContact O-CB 3.29Å; E548-K551 PolarHBondContact O-N 3.11Å; E548-K551 WeakPolarHBondContact OE2-CE 3.44Å; E548-K551 IonicContact OE2-NZ 3.95Å; E548-K551 PolarHBondContact OE2-NZ 3.26Å; L549-K551 PolarHBondContact O-N 3.49Å; L549-K551 VanDerWaalsContact O-N 3.12Å |
| 552 | L | 91.1 | Very high | 87.5 | Confident | 10 Ų | 10 | 25.4 Ų | 25.4 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -88.1 | 148.1 | -177.1 | -61.7 | 177.3 | 0 | 0 | 0 | 112.5 | G511 L549 V550 L557 | G511-L552 VanDerWaalsContact O-CD2 3.26Å; G511-L552 WeakPolarHBondContact O-CD2 3.31Å; L549-L552 HydrophobicContact CD2-CD1 3.87Å; L549-L552 WeakPolarHBondContact O-CB 3.34Å; L549-L552 PolarHBondContact O-N 3.36Å; L549-L552 VanDerWaalsContact O-N 3.07Å; V550-L552 VanDerWaalsContact C-N 3.29Å; L552-L557 HydrophobicContact CB-CD2 4.08Å; L552-L557 HydrophobicContact CB-CG 4.48Å; L552-L557 HydrophobicContact CD1-CD2 4.17Å |
| 553 | E | 86.2 | Confident | 87.1 | Confident | 107 Ų | 107 | 25.8 Ų | 25.8 | 50% | 0.5 | 14% | 0.141 | S | C | . | . | trans | -70.4 | 146.3 | 169.4 | -62.1 | -173.3 | 173 | 0 | 0 | 111.1 | K555 H556 | E553-K555 VanDerWaalsContact C-N 3.28Å; E553-K555 HydrophobicContact CB-CG 4.46Å; E553-K555 PolarHBondContact O-N 2.81Å; E553-K555 VanDerWaalsContact O-N 3.08Å; E553-K555 WeakPolarHBondContact OE2-CE 3.42Å; E553-K555 IonicContact OE2-NZ 3.84Å; E553-K555 PolarHBondContact OE2-NZ 3.31Å; E553-H556 PolarHBondContact O-N 3.09Å | ||
| 554 | P | 85.6 | Confident | 86.9 | Confident | 20 Ų | 20 | 32.2 Ų | 32.2 | 13% | 0.13 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -43.7 | -46.3 | -178.4 | -35.5 | 37.2 | 0 | 0 | 0 | 115.7 | H556 L571 T572 V575 | P554-H556 PolarHBondContact O-N 3.4Å; P554-L571 HydrophobicContact CB-CD2 4.45Å; P554-L571 HydrophobicContact CB-CG 4.25Å; P554-T572 HydrophobicContact CG-CG2 4.31Å; P554-V575 HydrophobicContact CB-CB 3.98Å; P554-V575 HydrophobicContact CB-CG1 4.21Å; P554-V575 HydrophobicContact CB-CG2 3.67Å; P554-V575 HydrophobicContact CG-CB 3.91Å; P554-V575 HydrophobicContact CG-CG1 3.88Å; P554-V575 HydrophobicContact CG-CG2 4.18Å |
| 555 | K | 83.1 | Confident | 86.8 | Confident | 95 Ų | 95 | 33 Ų | 33 | 41% | 0.413 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -68.8 | -9.6 | -178.2 | 61.8 | -177.1 | 171.9 | -170 | 0 | 114.5 | E553 Q563 | E553-K555 VanDerWaalsContact C-N 3.28Å; E553-K555 HydrophobicContact CB-CG 4.46Å; E553-K555 PolarHBondContact O-N 2.81Å; E553-K555 VanDerWaalsContact O-N 3.08Å; E553-K555 WeakPolarHBondContact OE2-CE 3.42Å; E553-K555 IonicContact OE2-NZ 3.84Å; E553-K555 PolarHBondContact OE2-NZ 3.31Å; K555-Q563 PolarHBondContact O-NE2 3.28Å |
| 556 | H | 88.4 | Confident | 86.8 | Confident | 23 Ų | 23 | 32.8 Ų | 32.8 | 11% | 0.106 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -111.7 | -4.2 | -175.1 | -60.9 | -41 | 0 | 0 | 0 | 114 | C510 G511 Y514 E553 P554 G558 | C510-H556 CarbonylContact C-O 3.53Å; G511-H556 PolarHBondContact N-O 3.3Å; Y514-H556 AromaticContact CD1-CD2 3.7Å; Y514-H556 AromaticContact CD1-CE1 3.51Å; Y514-H556 AromaticContact CD1-NE2 3.18Å; Y514-H556 WeakPolarHBondContact CD1-NE2 3.26Å; Y514-H556 HydrophobicContact CD2-CB 4.34Å; Y514-H556 AromaticContact CD2-CD2 3.99Å; Y514-H556 AromaticContact CD2-CE1 3.72Å; Y514-H556 AromaticContact CD2-CG 3.74Å; Y514-H556 AromaticContact CD2-ND1 3.57Å; Y514-H556 AromaticContact CD2-NE2 3.99Å; Y514-H556 AromaticContact CE1-CE1 3.24Å; Y514-H556 WeakPolarHBondContact CE1-CE1 3.27Å; Y514-H556 AromaticContact CE1-NE2 3.34Å; Y514-H556 VanDerWaalsContact CE1-NE2 3.34Å; Y514-H556 WeakPolarHBondContact CE1-NE2 3.39Å; Y514-H556 AromaticContact CE2-CE1 3.47Å; Y514-H556 VanDerWaalsContact CE2-CE1 3.47Å; Y514-H556 WeakPolarHBondContact CE2-CE1 3.47Å; Y514-H556 AromaticContact CE2-ND1 3.48Å; Y514-H556 WeakPolarHBondContact CE2-ND1 3.45Å; Y514-H556 AromaticContact CG-CD2 3.54Å; Y514-H556 AromaticContact CG-CE1 3.72Å; Y514-H556 AromaticContact CG-CG 3.78Å; Y514-H556 AromaticContact CG-ND1 3.89Å; Y514-H556 AromaticContact CG-NE2 3.52Å; Y514-H556 AromaticContact CZ-CE1 3.2Å; Y514-H556 AromaticContact CZ-ND1 3.73Å; Y514-H556 AromaticContact CZ-NE2 3.8Å; E553-H556 PolarHBondContact O-N 3.09Å; P554-H556 PolarHBondContact O-N 3.4Å; H556-G558 VanDerWaalsContact C-N 3.26Å; H556-G558 PolarHBondContact O-N 2.93Å |
| 557 | L | 87.8 | Confident | 86.8 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -64.3 | -31.6 | 177.1 | -71.2 | 162.3 | 0 | 0 | 0 | 112.3 | L362 L549 L552 V559 V575 M579 | L362-L557 HydrophobicContact CD1-CD1 3.85Å; L362-L557 HydrophobicContact CD1-CD2 4.16Å; L362-L557 HydrophobicContact CD1-CG 4.46Å; L362-L557 HydrophobicContact CD2-CD1 3.97Å; L549-L557 HydrophobicContact CB-CD2 4.28Å; L552-L557 HydrophobicContact CB-CD2 4.08Å; L552-L557 HydrophobicContact CB-CG 4.48Å; L552-L557 HydrophobicContact CD1-CD2 4.17Å; L557-V559 HydrophobicContact CB-CG1 4.33Å; L557-V559 HydrophobicContact CB-CG2 4.29Å; L557-V559 PolarHBondContact O-N 2.94Å; L557-V575 HydrophobicContact CD1-CG1 3.77Å; L557-V575 HydrophobicContact CD1-CG2 3.92Å; L557-M579 HydrophobicContact CD1-CE 4.06Å; L557-M579 HydrophobicContact CD2-CE 4.37Å |
| 558 | G | 81.3 | Confident | 86.8 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 34% | 0.34 | 21% | 0.205 | S | C | . | . | trans | 70.7 | 28.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | H556 | H556-G558 VanDerWaalsContact C-N 3.26Å; H556-G558 PolarHBondContact O-N 2.93Å | ||
| 559 | V | 80.6 | Confident | 86.8 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | trans | -97 | 3.3 | -175.5 | -61.1 | 0 | 0 | 0 | 0 | 113.8 | F358 N361 L362 L365 L557 | F358-V559 HydrophobicContact CD1-CG2 4.35Å; F358-V559 HydrophobicContact CD2-CG2 3.49Å; F358-V559 VanDerWaalsContact CD2-CG2 3.49Å; F358-V559 HydrophobicContact CE1-CG2 4.04Å; F358-V559 HydrophobicContact CE2-CB 4.46Å; F358-V559 HydrophobicContact CE2-CG2 3.15Å; F358-V559 HydrophobicContact CG-CG2 4.07Å; F358-V559 HydrophobicContact CZ-CG2 3.44Å; F358-V559 VanDerWaalsContact CZ-CG2 3.44Å; N361-V559 HydrophobicContact CB-CB 4.16Å; N361-V559 PolarHBondContact ND2-O 3.09Å; L362-V559 HydrophobicContact CB-CG2 4.06Å; L362-V559 HydrophobicContact CD1-CG1 4.47Å; L365-V559 HydrophobicContact CD2-CG1 3.65Å; L557-V559 HydrophobicContact CB-CG1 4.33Å; L557-V559 HydrophobicContact CB-CG2 4.29Å; L557-V559 PolarHBondContact O-N 2.94Å | ||
| 560 | G | 80.1 | Confident | 86.7 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 13% | 0.134 | 25% | 0.252 | C | S | . | . | trans | -148.5 | 137.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y562 Q563 | G560-Y562 VanDerWaalsContact C-N 3.34Å; G560-Y562 PolarHBondContact O-N 2.77Å; G560-Q563 WeakPolarHBondContact O-CG 3.15Å; G560-Q563 PolarHBondContact O-N 2.89Å | ||
| 561 | M | 80.2 | Confident | 86.7 | Confident | 76 Ų | 76 | 47.5 Ų | 47.5 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -30 | -175.3 | -165.5 | 178.5 | 73.7 | 0 | 0 | 113.9 | R281 F840 | R281-M561 PolarHBondContact NH2-O 3.24Å; M561-F840 HydrophobicContact CE-CE1 3.45Å; M561-F840 VanDerWaalsContact CE-CE1 3.45Å; M561-F840 HydrophobicContact CE-CZ 3.56Å; M561-F840 HydrophobicContact SD-CE1 4.37Å; M561-F840 HydrophobicContact SD-CZ 3.95Å |
| 562 | Y | 81.1 | Confident | 86.7 | Confident | 22 Ų | 22 | 48 Ų | 48 | 9% | 0.086 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 20 | -179.8 | -60.1 | -76.8 | 0 | 0 | 0 | 112.8 | H274 L277 A278 G560 H564 D565 F840 | H274-Y562 HydrophobicContact CB-CD2 4.44Å; H274-Y562 HydrophobicContact CB-CE2 3.46Å; H274-Y562 VanDerWaalsContact CB-CE2 3.46Å; H274-Y562 PolarHBondContact O-OH 2.7Å; L277-Y562 HydrophobicContact CB-CD1 3.88Å; L277-Y562 HydrophobicContact CB-CE1 4.23Å; L277-Y562 HydrophobicContact CB-CG 4.13Å; L277-Y562 HydrophobicContact CD1-CD1 4.39Å; L277-Y562 HydrophobicContact CD1-CD2 4.02Å; L277-Y562 HydrophobicContact CD1-CG 3.78Å; A278-Y562 HydrophobicContact CB-CE1 4.34Å; G560-Y562 VanDerWaalsContact C-N 3.34Å; G560-Y562 PolarHBondContact O-N 2.77Å; Y562-H564 PolarHBondContact O-N 3.41Å; Y562-D565 WeakPolarHBondContact CA-OD2 3.26Å; Y562-D565 WeakPolarHBondContact CB-OD2 3.31Å; Y562-D565 VanDerWaalsContact CD1-OD2 3.29Å; Y562-D565 WeakPolarHBondContact CD1-OD2 3.43Å; Y562-D565 PolarHBondContact O-N 2.94Å; Y562-F840 HydrophobicContact CE2-CE1 4.28Å |
| 563 | Q | 83.3 | Confident | 86.7 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -57.3 | -26.3 | -178.2 | 68.6 | -176.5 | 17.7 | 0 | 0 | 113.2 | F358 K555 G560 L571 | F358-Q563 HydrophobicContact CD2-CB 4.25Å; F358-Q563 HydrophobicContact CE2-CB 4.19Å; K555-Q563 PolarHBondContact O-NE2 3.28Å; G560-Q563 WeakPolarHBondContact O-CG 3.15Å; G560-Q563 PolarHBondContact O-N 2.89Å; Q563-L571 HydrophobicContact CB-CD2 4.41Å |
| 564 | H | 85.1 | Confident | 87 | Confident | 136 Ų | 136 | 45.9 Ų | 45.9 | 63% | 0.63 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -80.7 | -12 | 176.7 | -63.8 | -71 | 0 | 0 | 0 | 114.3 | Y562 | Y562-H564 PolarHBondContact O-N 3.41Š|
| 565 | D | 88.9 | Confident | 87.3 | Confident | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.15 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -99.6 | 0.3 | 175.9 | -41.6 | -76.9 | 0 | 0 | 0 | 112.4 | L277 R281 Q351 Y562 | L277-D565 HydrophobicContact CD2-CB 4.45Å; R281-D565 WeakPolarHBondContact CG-OD1 3.32Å; R281-D565 IonicContact CZ-OD1 2.84Å; R281-D565 IonicContact CZ-OD2 3.94Å; R281-D565 VanDerWaalsContact CZ-OD2 3.25Å; R281-D565 IonicContact NE-OD1 3.14Å; R281-D565 PolarHBondContact NE-OD1 2.81Å; R281-D565 IonicContact NE-OD2 2.71Å; R281-D565 PolarHBondContact NE-OD2 3.25Å; R281-D565 IonicContact NH2-OD1 2.76Å; R281-D565 IonicContact NH2-OD2 2.69Å; R281-D565 PolarHBondContact NH2-OD2 3.42Å; Q351-D565 PolarHBondContact NE2-O 3.39Å; Y562-D565 WeakPolarHBondContact CA-OD2 3.26Å; Y562-D565 WeakPolarHBondContact CB-OD2 3.31Å; Y562-D565 VanDerWaalsContact CD1-OD2 3.29Å; Y562-D565 WeakPolarHBondContact CD1-OD2 3.43Å; Y562-D565 PolarHBondContact O-N 2.94Å |
| 566 | I | 89.7 | Confident | 87.8 | Confident | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -90.5 | 138.1 | 173.6 | -60.9 | 175.5 | 0 | 0 | 0 | 108.2 | L355 V568 Q570 L571 | L355-I566 HydrophobicContact CB-CD1 4.4Å; L355-I566 HydrophobicContact CD1-CD1 4.23Å; L355-I566 HydrophobicContact CD1-CG2 4.3Å; I566-V568 PolarHBondContact O-N 2.92Å; I566-Q570 HydrophobicContact CG2-CB 4.27Å; I566-L571 HydrophobicContact CG2-CB 4.13Å |
| 567 | P | 91.5 | Very high | 88 | Confident | 51 Ų | 51 | 45 Ų | 45 | 33% | 0.331 | 25% | 0.253 | S | S | . | . | trans | -54.7 | 131.1 | 174 | -25.1 | 35.1 | 0 | 0 | 0 | 111.3 | N569 Q570 L571 | P567-N569 PolarHBondContact O-N 2.74Å; P567-N569 VanDerWaalsContact O-N 3.14Å; P567-Q570 HydrophobicContact CB-CB 4.42Å; P567-Q570 HydrophobicContact CB-CG 4.31Å; P567-Q570 PolarHBondContact O-N 2.99Å; P567-L571 PolarHBondContact O-N 2.99Å | ||
| 568 | V | 91.4 | Very high | 88.3 | Confident | 104 Ų | 104 | 45.3 Ų | 45.3 | 63% | 0.63 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -54 | -41.1 | -173.4 | 179.4 | 0 | 0 | 0 | 0 | 112.2 | I566 Q570 L571 T572 | I566-V568 PolarHBondContact O-N 2.92Å; V568-Q570 PolarHBondContact O-N 3.4Å; V568-L571 PolarHBondContact O-N 3.49Å; V568-T572 VanDerWaalsContact O-CB 3.32Å; V568-T572 WeakPolarHBondContact O-CB 3.41Å; V568-T572 PolarHBondContact O-N 2.91Å; V568-T572 PolarHBondContact O-OG1 3.3Å |
| 569 | N | 91.5 | Very high | 88.9 | Confident | 138 Ų | 138 | 43.8 Ų | 43.8 | 74% | 0.738 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -65.2 | -39.9 | -179.6 | -65.7 | -9.5 | 0 | 0 | 0 | 112.5 | P567 S573 | P567-N569 PolarHBondContact O-N 2.74Å; P567-N569 VanDerWaalsContact O-N 3.14Å; N569-S573 WeakPolarHBondContact O-CB 3.37Å; N569-S573 PolarHBondContact O-N 2.72Å |
| 570 | Q | 90.7 | Very high | 89.6 | Confident | 64 Ų | 64 | 45.3 Ų | 45.3 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.7 | -44.9 | 177.4 | -71.4 | 179.9 | -11.3 | 0 | 0 | 110.8 | L355 I566 P567 V568 T572 S573 A574 | L355-Q570 HydrophobicContact CD2-CB 4.38Å; I566-Q570 HydrophobicContact CG2-CB 4.27Å; P567-Q570 HydrophobicContact CB-CB 4.42Å; P567-Q570 HydrophobicContact CB-CG 4.31Å; P567-Q570 PolarHBondContact O-N 2.99Å; V568-Q570 PolarHBondContact O-N 3.4Å; Q570-T572 PolarHBondContact O-N 3.29Å; Q570-S573 PolarHBondContact O-N 3.11Å; Q570-A574 WeakPolarHBondContact O-CB 3.38Å; Q570-A574 PolarHBondContact O-N 2.98Å |
| 571 | L | 90.9 | Very high | 90.3 | Very high | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.7 | -47.5 | 176.8 | -176.5 | 66.5 | 0 | 0 | 0 | 111.6 | L355 F358 P554 Q563 I566 P567 V568 A574 V575 | L355-L571 HydrophobicContact CD1-CD1 4.21Å; F358-L571 HydrophobicContact CD1-CD1 4.04Å; F358-L571 HydrophobicContact CD2-CD1 4.08Å; F358-L571 HydrophobicContact CE1-CD1 3.75Å; F358-L571 HydrophobicContact CE2-CD1 3.74Å; F358-L571 HydrophobicContact CG-CD1 4.24Å; F358-L571 HydrophobicContact CZ-CD1 3.59Å; P554-L571 HydrophobicContact CB-CD2 4.45Å; P554-L571 HydrophobicContact CB-CG 4.25Å; Q563-L571 HydrophobicContact CB-CD2 4.41Å; I566-L571 HydrophobicContact CG2-CB 4.13Å; P567-L571 PolarHBondContact O-N 2.99Å; V568-L571 PolarHBondContact O-N 3.49Å; L571-A574 PolarHBondContact O-N 2.77Å; L571-V575 WeakPolarHBondContact O-CG2 3.21Å; L571-V575 PolarHBondContact O-N 3.31Å |
| 572 | T | 92.4 | Very high | 91 | Very high | 43 Ų | 43 | 41.4 Ų | 41.4 | 26% | 0.264 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 178.6 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | P554 V568 Q570 A574 V575 H576 | P554-T572 HydrophobicContact CG-CG2 4.31Å; V568-T572 VanDerWaalsContact O-CB 3.32Å; V568-T572 WeakPolarHBondContact O-CB 3.41Å; V568-T572 PolarHBondContact O-N 2.91Å; V568-T572 PolarHBondContact O-OG1 3.3Å; Q570-T572 PolarHBondContact O-N 3.29Å; T572-A574 PolarHBondContact O-N 3.34Å; T572-V575 PolarHBondContact O-N 2.88Å; T572-H576 VanDerWaalsContact CG2-CD2 3.4Å; T572-H576 WeakPolarHBondContact CG2-CD2 3.15Å; T572-H576 WeakPolarHBondContact CG2-NE2 3.44Å; T572-H576 PolarHBondContact O-CD2 2.94Å; T572-H576 PolarHBondContact O-N 2.89Å |
| 573 | S | 91.6 | Very high | 91.6 | Very high | 63 Ų | 63 | 40.4 Ų | 40.4 | 44% | 0.441 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58 | -48.6 | 176.5 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | N569 Q570 V575 H576 N577 | N569-S573 WeakPolarHBondContact O-CB 3.37Å; N569-S573 PolarHBondContact O-N 2.72Å; Q570-S573 PolarHBondContact O-N 3.11Å; S573-V575 PolarHBondContact O-N 3.39Å; S573-H576 PolarHBondContact O-N 3.41Å; S573-N577 WeakPolarHBondContact O-CB 3.15Å; S573-N577 PolarHBondContact O-N 2.84Å; S573-N577 PolarHBondContact O-ND2 3.35Å |
| 574 | A | 91.6 | Very high | 92.2 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L355 Q570 L571 T572 H576 N577 V578 | L355-A574 HydrophobicContact CD1-CB 3.48Å; L355-A574 VanDerWaalsContact CD1-CB 3.48Å; L355-A574 HydrophobicContact CD2-CB 3.97Å; L355-A574 HydrophobicContact CG-CB 3.77Å; Q570-A574 WeakPolarHBondContact O-CB 3.38Å; Q570-A574 PolarHBondContact O-N 2.98Å; L571-A574 PolarHBondContact O-N 2.77Å; T572-A574 PolarHBondContact O-N 3.34Å; A574-H576 PolarHBondContact O-N 3.21Å; A574-N577 PolarHBondContact O-N 3.48Å; A574-V578 WeakPolarHBondContact O-CG2 3.49Å; A574-V578 PolarHBondContact O-N 3.12Å |
| 575 | V | 92.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 175.5 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | F358 L362 P554 L557 L571 T572 S573 N577 V578 M579 | F358-V575 HydrophobicContact CE1-CG2 3.37Å; F358-V575 HydrophobicContact CZ-CG2 3.54Å; L362-V575 HydrophobicContact CD2-CB 4.24Å; L362-V575 HydrophobicContact CD2-CG1 4.07Å; L362-V575 HydrophobicContact CD2-CG2 3.91Å; P554-V575 HydrophobicContact CB-CB 3.98Å; P554-V575 HydrophobicContact CB-CG1 4.21Å; P554-V575 HydrophobicContact CB-CG2 3.67Å; P554-V575 HydrophobicContact CG-CB 3.91Å; P554-V575 HydrophobicContact CG-CG1 3.88Å; P554-V575 HydrophobicContact CG-CG2 4.18Å; L557-V575 HydrophobicContact CD1-CG1 3.77Å; L557-V575 HydrophobicContact CD1-CG2 3.92Å; L571-V575 WeakPolarHBondContact O-CG2 3.21Å; L571-V575 PolarHBondContact O-N 3.31Å; T572-V575 PolarHBondContact O-N 2.88Å; S573-V575 PolarHBondContact O-N 3.39Å; V575-N577 VanDerWaalsContact C-N 3.34Å; V575-N577 PolarHBondContact O-N 3.02Å; V575-V578 PolarHBondContact O-N 3.33Å; V575-M579 HydrophobicContact CG1-CE 3.56Å; V575-M579 HydrophobicContact CG1-CG 4.3Å; V575-M579 HydrophobicContact CG1-SD 3.75Å; V575-M579 WeakPolarHBondContact O-CB 3.41Å; V575-M579 VanDerWaalsContact O-CG 3.27Å; V575-M579 WeakPolarHBondContact O-CG 3.31Å; V575-M579 PolarHBondContact O-N 2.93Å |
| 576 | H | 92.6 | Very high | 92.6 | Very high | 74 Ų | 74 | 34.4 Ų | 34.4 | 34% | 0.343 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 178.4 | -75.7 | -61 | 0 | 0 | 0 | 112.2 | T572 S573 A574 M579 E580 R600 | T572-H576 VanDerWaalsContact CG2-CD2 3.4Å; T572-H576 WeakPolarHBondContact CG2-CD2 3.15Å; T572-H576 WeakPolarHBondContact CG2-NE2 3.44Å; T572-H576 PolarHBondContact O-CD2 2.94Å; T572-H576 PolarHBondContact O-N 2.89Å; S573-H576 PolarHBondContact O-N 3.41Å; A574-H576 PolarHBondContact O-N 3.21Å; H576-M579 PolarHBondContact O-N 3.01Å; H576-E580 WeakPolarHBondContact O-CB 3.32Å; H576-E580 PolarHBondContact O-N 3.2Å; H576-R600 PolarHBondContact CE1-NH2 2.92Å; H576-R600 VanDerWaalsContact ND1-CZ 3.3Å; H576-R600 PolarHBondContact ND1-NH1 3.22Å |
| 577 | N | 93.7 | Very high | 92.8 | Very high | 44 Ų | 44 | 34.7 Ų | 34.7 | 24% | 0.235 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60 | -50.1 | 176.6 | -71.3 | -18.1 | 0 | 0 | 0 | 111.6 | H59 S573 A574 V575 M579 E580 E581 | H59-N577 VanDerWaalsContact CE1-CB 3.41Å; H59-N577 WeakPolarHBondContact CE1-CB 3.42Å; H59-N577 PolarHBondContact CE1-OD1 2.99Å; H59-N577 PolarHBondContact ND1-ND2 3.41Å; S573-N577 WeakPolarHBondContact O-CB 3.15Å; S573-N577 PolarHBondContact O-N 2.84Å; S573-N577 PolarHBondContact O-ND2 3.35Å; A574-N577 PolarHBondContact O-N 3.48Å; V575-N577 VanDerWaalsContact C-N 3.34Å; V575-N577 PolarHBondContact O-N 3.02Å; N577-M579 VanDerWaalsContact C-N 3.34Å; N577-M579 PolarHBondContact O-N 2.92Å; N577-E580 PolarHBondContact O-N 2.84Å; N577-E581 WeakPolarHBondContact O-CB 3.3Å; N577-E581 PolarHBondContact O-N 2.93Å |
| 578 | V | 94 | Very high | 92.8 | Very high | 10 Ų | 10 | 32.7 Ų | 32.7 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 178.5 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | L362 R363 L366 A574 V575 E581 C582 | L362-V578 HydrophobicContact CB-CG1 4.14Å; L362-V578 HydrophobicContact CD2-CB 4.09Å; L362-V578 HydrophobicContact CD2-CG1 4.02Å; L362-V578 HydrophobicContact CG-CB 4.48Å; L362-V578 HydrophobicContact CG-CG1 3.86Å; R363-V578 HydrophobicContact CB-CG1 3.84Å; L366-V578 HydrophobicContact CD1-CG1 4.23Å; A574-V578 WeakPolarHBondContact O-CG2 3.49Å; A574-V578 PolarHBondContact O-N 3.12Å; V575-V578 PolarHBondContact O-N 3.33Å; V578-E581 PolarHBondContact O-N 3.43Å; V578-C582 WeakPolarHBondContact O-CB 3.44Å; V578-C582 PolarHBondContact O-N 3.26Å; V578-C582 PolarHBondContact O-SG 2.92Å |
| 579 | M | 94 | Very high | 92.8 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65 | -43.8 | 176.1 | -73.5 | 177.9 | 174.4 | 0 | 0 | 112.1 | L366 V550 L557 V575 H576 N577 E581 I583 R600 | L366-M579 HydrophobicContact CD1-CG 3.86Å; V550-M579 HydrophobicContact CG1-CG 4.37Å; V550-M579 HydrophobicContact CG1-SD 4.39Å; L557-M579 HydrophobicContact CD1-CE 4.06Å; L557-M579 HydrophobicContact CD2-CE 4.37Å; V575-M579 HydrophobicContact CG1-CE 3.56Å; V575-M579 HydrophobicContact CG1-CG 4.3Å; V575-M579 HydrophobicContact CG1-SD 3.75Å; V575-M579 WeakPolarHBondContact O-CB 3.41Å; V575-M579 VanDerWaalsContact O-CG 3.27Å; V575-M579 WeakPolarHBondContact O-CG 3.31Å; V575-M579 PolarHBondContact O-N 2.93Å; H576-M579 PolarHBondContact O-N 3.01Å; N577-M579 VanDerWaalsContact C-N 3.34Å; N577-M579 PolarHBondContact O-N 2.92Å; M579-E581 VanDerWaalsContact C-N 3.33Å; M579-I583 VanDerWaalsContact O-CB 3.28Å; M579-I583 WeakPolarHBondContact O-CB 3.11Å; M579-I583 WeakPolarHBondContact O-CD1 3.3Å; M579-I583 VanDerWaalsContact O-CG1 3.22Å; M579-I583 WeakPolarHBondContact O-CG1 3.5Å; M579-I583 PolarHBondContact O-N 3.07Å; M579-R600 PolarHBondContact SD-NH1 3.4Å |
| 580 | E | 95 | Very high | 92.8 | Very high | 41 Ų | 41 | 22.2 Ų | 22.2 | 19% | 0.192 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 176 | -171.7 | -173 | -142.7 | 0 | 0 | 110.7 | P40 H576 N577 S584 R600 A602 | P40-E580 HydrophobicContact CG-CG 4.14Å; H576-E580 WeakPolarHBondContact O-CB 3.32Å; H576-E580 PolarHBondContact O-N 3.2Å; N577-E580 PolarHBondContact O-N 2.84Å; E580-S584 WeakPolarHBondContact O-CB 3.46Å; E580-S584 PolarHBondContact O-N 3.49Å; E580-S584 PolarHBondContact O-OG 3.4Å; E580-R600 WeakPolarHBondContact CA-O 3.35Å; E580-R600 WeakPolarHBondContact CG-O 3.05Å; E580-A602 HydrophobicContact CG-CB 4.43Å |
| 581 | E | 94.8 | Very high | 92.8 | Very high | 7 Ų | 7 | 20 Ų | 20 | 3% | 0.033 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.5 | -59.2 | 175.2 | -173.3 | -164.9 | 144 | 0 | 0 | 111.5 | P40 P55 R363 N577 V578 M579 I583 S584 F585 | P40-E581 HydrophobicContact CG-CB 4.5Å; P55-E581 HydrophobicContact CB-CG 4.3Å; P55-E581 WeakPolarHBondContact CB-OE2 3.36Å; P55-E581 HydrophobicContact CG-CG 4.27Å; R363-E581 IonicContact CZ-OE1 3.6Å; R363-E581 IonicContact NE-OE1 3.24Å; R363-E581 PolarHBondContact NE-OE1 3.05Å; R363-E581 IonicContact NH2-OE1 3.74Å; R363-E581 PolarHBondContact NH2-OE1 3.41Å; N577-E581 WeakPolarHBondContact O-CB 3.3Å; N577-E581 PolarHBondContact O-N 2.93Å; V578-E581 PolarHBondContact O-N 3.43Å; M579-E581 VanDerWaalsContact C-N 3.33Å; E581-I583 PolarHBondContact O-N 2.78Å; E581-S584 PolarHBondContact O-N 2.91Å; E581-F585 HydrophobicContact CG-CD2 4.11Å; E581-F585 HydrophobicContact CG-CE2 4.17Å; E581-F585 WeakPolarHBondContact O-CB 3.38Å; E581-F585 VanDerWaalsContact O-CD2 3.28Å; E581-F585 WeakPolarHBondContact O-CD2 3.29Å; E581-F585 PolarHBondContact O-N 2.76Å |
| 582 | C | 93.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.2 | -47.1 | -176.1 | -69.7 | 0 | 0 | 0 | 0 | 112 | L366 M367 L546 V578 S584 F585 V586 | L366-C582 HydrophobicContact CB-CB 4.1Å; L366-C582 HydrophobicContact CD1-CB 4.26Å; M367-C582 HydrophobicContact SD-CB 3.98Å; L546-C582 HydrophobicContact CD1-CB 4.11Å; V578-C582 WeakPolarHBondContact O-CB 3.44Å; V578-C582 PolarHBondContact O-N 3.26Å; V578-C582 PolarHBondContact O-SG 2.92Å; C582-S584 PolarHBondContact O-N 3.02Å; C582-F585 PolarHBondContact O-N 3.09Å; C582-V586 WeakPolarHBondContact O-CB 3.48Å; C582-V586 VanDerWaalsContact O-CG2 3.24Å; C582-V586 WeakPolarHBondContact O-CG2 3.28Å; C582-V586 PolarHBondContact O-N 3.32Å |
| 583 | I | 94.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | -178.9 | -69 | 169.2 | 0 | 0 | 0 | 110.7 | L546 V550 M579 E581 G587 V588 I597 R600 V601 | L546-I583 HydrophobicContact CD1-CG1 3.92Å; L546-I583 HydrophobicContact CD2-CG1 4.34Å; L546-I583 HydrophobicContact CG-CG1 4.33Å; V550-I583 HydrophobicContact CG1-CD1 3.89Å; M579-I583 VanDerWaalsContact O-CB 3.28Å; M579-I583 WeakPolarHBondContact O-CB 3.11Å; M579-I583 WeakPolarHBondContact O-CD1 3.3Å; M579-I583 VanDerWaalsContact O-CG1 3.22Å; M579-I583 WeakPolarHBondContact O-CG1 3.5Å; M579-I583 PolarHBondContact O-N 3.07Å; E581-I583 PolarHBondContact O-N 2.78Å; I583-G587 PolarHBondContact O-N 2.88Å; I583-V588 HydrophobicContact CG2-CG2 3.55Å; I583-I597 HydrophobicContact CD1-CD1 4.17Å; I583-I597 HydrophobicContact CG2-CG2 3.98Å; I583-R600 HydrophobicContact CD1-CB 3.48Å; I583-R600 VanDerWaalsContact CD1-CB 3.48Å; I583-R600 HydrophobicContact CD1-CG 4Å; I583-V601 HydrophobicContact CG2-CG2 4.05Å |
| 584 | S | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.4 | -43.5 | 179.7 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | E580 E581 C582 G587 A602 F645 | E580-S584 WeakPolarHBondContact O-CB 3.46Å; E580-S584 PolarHBondContact O-N 3.49Å; E580-S584 PolarHBondContact O-OG 3.4Å; E581-S584 PolarHBondContact O-N 2.91Å; C582-S584 PolarHBondContact O-N 3.02Å; S584-G587 PolarHBondContact O-N 3.41Å; S584-A602 WeakPolarHBondContact OG-CB 3.5Å; S584-A602 PolarHBondContact OG-N 3.3Å; S584-F645 WeakPolarHBondContact O-CD1 3.27Å |
| 585 | F | 92.5 | Very high | 92.3 | Very high | 44 Ų | 44 | 22.3 Ų | 22.3 | 19% | 0.193 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.7 | -46.9 | -179.9 | -88.3 | -122.1 | 0 | 0 | 0 | 112 | P40 A43 R44 E581 C582 G587 E805 | P40-F585 HydrophobicContact CB-CD2 4.37Å; P40-F585 HydrophobicContact CB-CE2 4.04Å; A43-F585 HydrophobicContact CB-CZ 4.22Å; R44-F585 HydrophobicContact CB-CZ 4.33Å; R44-F585 PolarHBondContact NH1-O 3.01Å; E581-F585 HydrophobicContact CG-CD2 4.11Å; E581-F585 HydrophobicContact CG-CE2 4.17Å; E581-F585 WeakPolarHBondContact O-CB 3.38Å; E581-F585 VanDerWaalsContact O-CD2 3.28Å; E581-F585 WeakPolarHBondContact O-CD2 3.29Å; E581-F585 PolarHBondContact O-N 2.76Å; C582-F585 PolarHBondContact O-N 3.09Å; F585-G587 PolarHBondContact O-N 2.72Å; F585-E805 WeakPolarHBondContact O-CG 3.49Å |
| 586 | V | 91.4 | Very high | 92.1 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 7% | 0.067 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.2 | -39.3 | 174.2 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | M367 L546 C582 R647 R806 | M367-V586 HydrophobicContact CE-CG2 3.98Å; M367-V586 HydrophobicContact SD-CG2 3.72Å; L546-V586 HydrophobicContact CD2-CB 4.23Å; L546-V586 HydrophobicContact CD2-CG1 4.24Å; L546-V586 HydrophobicContact CD2-CG2 4.1Å; C582-V586 WeakPolarHBondContact O-CB 3.48Å; C582-V586 VanDerWaalsContact O-CG2 3.24Å; C582-V586 WeakPolarHBondContact O-CG2 3.28Å; C582-V586 PolarHBondContact O-N 3.32Å; V586-R647 VanDerWaalsContact O-CZ 3.24Å; V586-R647 PolarHBondContact O-NH2 3.13Å; V586-R806 HydrophobicContact CG2-CG 3.69Å |
| 587 | G | 92 | Very high | 92.1 | Very high | 14 Ų | 14 | 22 Ų | 22 | 14% | 0.144 | 13% | 0.127 | C | C | . | . | trans | 82.5 | 150.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I583 S584 F585 F645 | I583-G587 PolarHBondContact O-N 2.88Å; S584-G587 PolarHBondContact O-N 3.41Å; F585-G587 PolarHBondContact O-N 2.72Å; G587-F645 CarbonylContact C-O 3.5Å; G587-F645 WeakPolarHBondContact CA-O 3.44Å | ||
| 588 | V | 92.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 19.9 Ų | 19.9 | 6% | 0.055 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.4 | -164.9 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | I583 L590 A593 I597 L598 V601 F645 V646 R647 | I583-V588 HydrophobicContact CG2-CG2 3.55Å; V588-L590 PolarHBondContact O-N 2.91Å; V588-A593 HydrophobicContact CG1-CB 3.16Å; V588-I597 HydrophobicContact CB-CG2 4.49Å; V588-I597 HydrophobicContact CG1-CG2 3.84Å; V588-I597 HydrophobicContact CG2-CG2 3.73Å; V588-L598 HydrophobicContact CG1-CD1 4.31Å; V588-V601 HydrophobicContact CB-CG2 4.05Å; V588-V601 HydrophobicContact CG1-CG2 4.46Å; V588-V601 HydrophobicContact CG2-CG2 3.67Å; V588-F645 PolarHBondContact N-O 3.33Å; V588-V646 CarbonylContact O-C 3.55Å; V588-V646 VanDerWaalsContact O-CA 3.3Å; V588-V646 WeakPolarHBondContact O-CA 3.41Å; V588-R647 PolarHBondContact O-N 2.95Å |
| 589 | D | 90.7 | Very high | 92.1 | Very high | 22 Ų | 22 | 20.4 Ų | 20.4 | 12% | 0.118 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 114.6 | 171.5 | -178.6 | -11.9 | 0 | 0 | 0 | 110.5 | N591 A592 A593 R647 K649 | D589-N591 PolarHBondContact O-N 3.47Å; D589-N591 PolarHBondContact OD1-N 3.01Å; D589-A592 HydrophobicContact CB-CB 4.08Å; D589-A592 PolarHBondContact O-N 3.39Å; D589-A592 PolarHBondContact OD1-N 3.1Å; D589-A593 WeakPolarHBondContact O-CB 3.33Å; D589-A593 PolarHBondContact O-N 3.2Å; D589-R647 WeakPolarHBondContact CA-O 3.14Å; D589-K649 WeakPolarHBondContact OD2-CD 3.37Å; D589-K649 WeakPolarHBondContact OD2-CE 3.48Å; D589-K649 WeakPolarHBondContact OD2-CG 3.34Å |
| 590 | L | 91.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -31.9 | -175.7 | -157.5 | 76.4 | 0 | 0 | 0 | 112.6 | V588 L598 I612 R616 F622 L628 V646 R647 | V588-L590 PolarHBondContact O-N 2.91Å; L590-L598 HydrophobicContact CD1-CD1 4.19Å; L590-I612 HydrophobicContact CD1-CG2 4.22Å; L590-I612 HydrophobicContact CG-CG2 4.29Å; L590-R616 PolarHBondContact O-NH1 3.02Å; L590-F622 HydrophobicContact CB-CD2 4.42Å; L590-F622 HydrophobicContact CD2-CB 3.67Å; L590-F622 HydrophobicContact CD2-CD1 3.55Å; L590-F622 HydrophobicContact CD2-CD2 3.31Å; L590-F622 HydrophobicContact CD2-CE1 3.96Å; L590-F622 HydrophobicContact CD2-CE2 3.73Å; L590-F622 HydrophobicContact CD2-CG 3.22Å; L590-F622 HydrophobicContact CD2-CZ 4.04Å; L590-F622 HydrophobicContact CG-CD2 3.77Å; L590-F622 HydrophobicContact CG-CE2 4.02Å; L590-F622 HydrophobicContact CG-CG 4.18Å; L590-L628 HydrophobicContact CD1-CD1 4.34Å; L590-L628 HydrophobicContact CD1-CD2 3.86Å; L590-L628 HydrophobicContact CD1-CG 4.43Å; L590-L628 HydrophobicContact CD2-CD1 4.4Å; L590-L628 HydrophobicContact CD2-CD2 3.68Å; L590-L628 HydrophobicContact CD2-CG 3.85Å; L590-L628 HydrophobicContact CG-CD2 4.37Å; L590-V646 HydrophobicContact CD1-CB 4.03Å; L590-V646 HydrophobicContact CD1-CG1 3.8Å; L590-R647 PolarHBondContact N-O 3.07Å |
| 591 | N | 91.2 | Very high | 92.1 | Very high | 16 Ų | 16 | 21.1 Ų | 21.1 | 9% | 0.086 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -22.6 | -176.8 | -71.9 | -43.4 | 0 | 0 | 0 | 113.2 | D589 R616 P621 F622 Y652 | D589-N591 PolarHBondContact O-N 3.47Å; D589-N591 PolarHBondContact OD1-N 3.01Å; N591-R616 WeakPolarHBondContact O-CD 2.88Å; N591-R616 PolarHBondContact O-NH1 3.23Å; N591-R616 VanDerWaalsContact O-NH1 3.09Å; N591-P621 VanDerWaalsContact OD1-CA 3.3Å; N591-P621 WeakPolarHBondContact OD1-CA 3.29Å; N591-F622 PolarHBondContact ND2-O 2.9Å; N591-F622 WeakPolarHBondContact OD1-CD2 3.19Å; N591-F622 PolarHBondContact OD1-N 2.79Å; N591-Y652 HydrophobicContact CB-CD1 4.42Å; N591-Y652 HydrophobicContact CB-CD2 3.96Å; N591-Y652 HydrophobicContact CB-CE1 4.05Å; N591-Y652 HydrophobicContact CB-CE2 3.5Å; N591-Y652 HydrophobicContact CB-CG 4.38Å; N591-Y652 WeakPolarHBondContact ND2-CD2 3.33Å; N591-Y652 WeakPolarHBondContact ND2-CE2 3.4Å; N591-Y652 VanDerWaalsContact ND2-CG 3.32Å |
| 592 | A | 87.6 | Confident | 92.2 | Very high | 52 Ų | 52 | 20.8 Ų | 20.8 | 43% | 0.43 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -25.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | D589 | D589-A592 HydrophobicContact CB-CB 4.08Å; D589-A592 PolarHBondContact O-N 3.39Å; D589-A592 PolarHBondContact OD1-N 3.1Å |
| 593 | A | 89.6 | Confident | 92.3 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 7% | 0.066 | 13% | 0.128 | C | C | . | . | trans | -64.8 | 139.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V588 D589 I597 R616 | V588-A593 HydrophobicContact CG1-CB 3.16Å; D589-A593 WeakPolarHBondContact O-CB 3.33Å; D589-A593 PolarHBondContact O-N 3.2Å; A593-I597 HydrophobicContact CB-CG2 4.46Å; A593-R616 PolarHBondContact O-NH1 3.46Å | ||
| 594 | P | 89.1 | Confident | 92.4 | Very high | 57 Ų | 57 | 22.1 Ų | 22.1 | 37% | 0.37 | 13% | 0.131 | S | C | . | . | trans | -78.8 | 162.7 | 172.5 | 33.2 | -35.5 | 0 | 0 | 0 | 111.6 | H596 I597 L598 | P594-H596 VanDerWaalsContact C-N 3.31Å; P594-H596 VanDerWaalsContact CG-CE1 3.48Å; P594-H596 WeakPolarHBondContact CG-CE1 3.27Å; P594-H596 PolarHBondContact O-N 3.28Å; P594-I597 HydrophobicContact CG-CB 4.06Å; P594-I597 HydrophobicContact CG-CG1 3.73Å; P594-I597 PolarHBondContact O-N 2.75Å; P594-I597 VanDerWaalsContact O-N 3.14Å; P594-L598 PolarHBondContact O-N 3.31Å | ||
| 595 | L | 90 | Very high | 92.3 | Very high | 56 Ų | 56 | 24.6 Ų | 24.6 | 29% | 0.293 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -52.1 | -46.6 | -178.3 | 178 | 59.4 | 0 | 0 | 0 | 113 | I597 L598 S599 A609 K610 L613 | L595-I597 VanDerWaalsContact C-N 3.27Å; L595-I597 PolarHBondContact O-N 2.94Å; L595-L598 PolarHBondContact O-N 2.9Å; L595-S599 VanDerWaalsContact O-CB 3.27Å; L595-S599 WeakPolarHBondContact O-CB 3.19Å; L595-S599 PolarHBondContact O-N 2.91Å; L595-S599 PolarHBondContact O-OG 3Å; L595-S599 VanDerWaalsContact O-OG 3.11Å; L595-A609 HydrophobicContact CD1-CB 3.71Å; L595-K610 HydrophobicContact CD1-CG 3.69Å; L595-K610 HydrophobicContact CD2-CG 4.11Å; L595-L613 HydrophobicContact CB-CD1 3.62Å; L595-L613 HydrophobicContact CD1-CD1 3.96Å; L595-L613 HydrophobicContact CG-CD1 4.3Å |
| 596 | H | 88.1 | Confident | 92.4 | Very high | 50 Ų | 50 | 27.6 Ų | 27.6 | 23% | 0.231 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.2 | -25.2 | -174.4 | 61.1 | -98.7 | 0 | 0 | 0 | 113 | E524 P594 S599 R600 | E524-H596 IonicContact OE1-CE1 3.22Å; P594-H596 VanDerWaalsContact C-N 3.31Å; P594-H596 VanDerWaalsContact CG-CE1 3.48Å; P594-H596 WeakPolarHBondContact CG-CE1 3.27Å; P594-H596 PolarHBondContact O-N 3.28Å; H596-S599 PolarHBondContact O-OG 3.19Å; H596-R600 WeakPolarHBondContact O-CG 3.37Å |
| 597 | I | 92.8 | Very high | 92.7 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 9% | 0.087 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -80.5 | -50.7 | 171.7 | -67.7 | -69.6 | 0 | 0 | 0 | 110.1 | V550 I583 V588 A593 P594 L595 S599 R600 | V550-I597 HydrophobicContact CG2-CD1 3.69Å; I583-I597 HydrophobicContact CD1-CD1 4.17Å; I583-I597 HydrophobicContact CG2-CG2 3.98Å; V588-I597 HydrophobicContact CB-CG2 4.49Å; V588-I597 HydrophobicContact CG1-CG2 3.84Å; V588-I597 HydrophobicContact CG2-CG2 3.73Å; A593-I597 HydrophobicContact CB-CG2 4.46Å; P594-I597 HydrophobicContact CG-CB 4.06Å; P594-I597 HydrophobicContact CG-CG1 3.73Å; P594-I597 PolarHBondContact O-N 2.75Å; P594-I597 VanDerWaalsContact O-N 3.14Å; L595-I597 VanDerWaalsContact C-N 3.27Å; L595-I597 PolarHBondContact O-N 2.94Å; I597-S599 VanDerWaalsContact C-N 3.25Å; I597-S599 PolarHBondContact O-N 3.46Å; I597-R600 PolarHBondContact O-N 3.09Å |
| 598 | L | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62 | -35 | -175 | -166.2 | 70.7 | 0 | 0 | 0 | 112.3 | V588 L590 P594 L595 R600 V601 L604 A609 I612 | V588-L598 HydrophobicContact CG1-CD1 4.31Å; L590-L598 HydrophobicContact CD1-CD1 4.19Å; P594-L598 PolarHBondContact O-N 3.31Å; L595-L598 PolarHBondContact O-N 2.9Å; L598-R600 PolarHBondContact O-N 3.3Å; L598-R600 VanDerWaalsContact O-N 3.12Å; L598-V601 PolarHBondContact O-N 3.02Å; L598-L604 HydrophobicContact CD1-CD1 3.93Å; L598-L604 HydrophobicContact CG-CD1 3.99Å; L598-A609 HydrophobicContact CB-CB 4.05Å; L598-A609 HydrophobicContact CD2-CB 3.99Å; L598-A609 HydrophobicContact CG-CB 4Å; L598-I612 HydrophobicContact CD1-CD1 4.49Å; L598-I612 HydrophobicContact CD2-CB 3.73Å; L598-I612 HydrophobicContact CD2-CD1 3.86Å; L598-I612 HydrophobicContact CD2-CG1 4.41Å; L598-I612 HydrophobicContact CD2-CG2 3.65Å; L598-I612 HydrophobicContact CG-CD1 4.29Å |
| 599 | S | 94 | Very high | 93.2 | Very high | 22 Ų | 22 | 35.9 Ų | 35.9 | 15% | 0.154 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -8.2 | 176.3 | 67.8 | 0 | 0 | 0 | 0 | 114.9 | L595 H596 I597 | L595-S599 VanDerWaalsContact O-CB 3.27Å; L595-S599 WeakPolarHBondContact O-CB 3.19Å; L595-S599 PolarHBondContact O-N 2.91Å; L595-S599 PolarHBondContact O-OG 3Å; L595-S599 VanDerWaalsContact O-OG 3.11Å; H596-S599 PolarHBondContact O-OG 3.19Å; I597-S599 VanDerWaalsContact C-N 3.25Å; I597-S599 PolarHBondContact O-N 3.46Å |
| 600 | R | 94.4 | Very high | 93.5 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 21% | 0.211 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 2.6 | -179.9 | -56.4 | -60.9 | -169 | 90 | 9.8 | 113 | H576 M579 E580 I583 H596 I597 L598 | H576-R600 PolarHBondContact CE1-NH2 2.92Å; H576-R600 VanDerWaalsContact ND1-CZ 3.3Å; H576-R600 PolarHBondContact ND1-NH1 3.22Å; M579-R600 PolarHBondContact SD-NH1 3.4Å; E580-R600 WeakPolarHBondContact CA-O 3.35Å; E580-R600 WeakPolarHBondContact CG-O 3.05Å; I583-R600 HydrophobicContact CD1-CB 3.48Å; I583-R600 VanDerWaalsContact CD1-CB 3.48Å; I583-R600 HydrophobicContact CD1-CG 4Å; H596-R600 WeakPolarHBondContact O-CG 3.37Å; I597-R600 PolarHBondContact O-N 3.09Å; L598-R600 PolarHBondContact O-N 3.3Å; L598-R600 VanDerWaalsContact O-N 3.12Å |
| 601 | V | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -71 | 135.7 | 171.6 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | I583 V588 L598 G603 L604 C642 F645 V646 | I583-V601 HydrophobicContact CG2-CG2 4.05Å; V588-V601 HydrophobicContact CB-CG2 4.05Å; V588-V601 HydrophobicContact CG1-CG2 4.46Å; V588-V601 HydrophobicContact CG2-CG2 3.67Å; L598-V601 PolarHBondContact O-N 3.02Å; V601-G603 PolarHBondContact O-N 3.49Å; V601-L604 HydrophobicContact CB-CB 4.4Å; V601-L604 HydrophobicContact CB-CD1 3.94Å; V601-L604 HydrophobicContact CB-CG 4.17Å; V601-L604 HydrophobicContact CG1-CD1 4.27Å; V601-L604 HydrophobicContact CG1-CG 4.39Å; V601-L604 WeakPolarHBondContact O-CB 3.46Å; V601-L604 PolarHBondContact O-N 3.2Å; V601-C642 HydrophobicContact CG1-CB 4.23Å; V601-F645 HydrophobicContact CG1-CB 3.8Å; V601-V646 HydrophobicContact CG1-CG1 4.31Å |
| 602 | A | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 127.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T38 P40 E580 S584 L604 C642 F645 | T38-A602 HydrophobicContact CG2-CB 4.44Å; P40-A602 HydrophobicContact CB-CB 4.03Å; P40-A602 HydrophobicContact CG-CB 4.13Å; E580-A602 HydrophobicContact CG-CB 4.43Å; S584-A602 WeakPolarHBondContact OG-CB 3.5Å; S584-A602 PolarHBondContact OG-N 3.3Å; A602-L604 VanDerWaalsContact C-N 3.31Å; A602-L604 PolarHBondContact O-N 2.86Å; A602-C642 WeakPolarHBondContact O-CA 3.46Å; A602-C642 WeakPolarHBondContact O-CB 3.48Å; A602-F645 HydrophobicContact CB-CD2 3.76Å; A602-F645 HydrophobicContact CB-CE2 3.64Å |
| 603 | G | 95.4 | Very high | 94.4 | Very high | 17 Ų | 17 | 39 Ų | 39 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -13.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V601 K608 | V601-G603 PolarHBondContact O-N 3.49Å; G603-K608 PolarHBondContact O-NZ 2.86Å |
| 604 | L | 96.1 | Very high | 94.8 | Very high | 14 Ų | 14 | 41.9 Ų | 41.9 | 7% | 0.073 | 22% | 0.223 | C | C | . | . | trans | -95.4 | 137.1 | 175.5 | -57.5 | -170.4 | 0 | 0 | 0 | 111.1 | L598 V601 A602 K608 I612 I634 T638 C642 | L598-L604 HydrophobicContact CD1-CD1 3.93Å; L598-L604 HydrophobicContact CG-CD1 3.99Å; V601-L604 HydrophobicContact CB-CB 4.4Å; V601-L604 HydrophobicContact CB-CD1 3.94Å; V601-L604 HydrophobicContact CB-CG 4.17Å; V601-L604 HydrophobicContact CG1-CD1 4.27Å; V601-L604 HydrophobicContact CG1-CG 4.39Å; V601-L604 WeakPolarHBondContact O-CB 3.46Å; V601-L604 PolarHBondContact O-N 3.2Å; A602-L604 VanDerWaalsContact C-N 3.31Å; A602-L604 PolarHBondContact O-N 2.86Å; L604-K608 HydrophobicContact CD2-CB 4.34Å; L604-K608 HydrophobicContact CD2-CD 4.44Å; L604-I612 HydrophobicContact CD1-CD1 3.68Å; L604-I612 HydrophobicContact CD2-CD1 4.16Å; L604-I634 HydrophobicContact CD2-CD1 4.46Å; L604-T638 HydrophobicContact CD2-CG2 4.09Å; L604-C642 HydrophobicContact CD2-CB 3.98Å; L604-C642 HydrophobicContact CG-CB 3.98Å | ||
| 605 | S | 94.4 | Very high | 95.1 | Very high | 51 Ų | 51 | 41 Ų | 41 | 36% | 0.357 | 21% | 0.212 | S | C | . | . | trans | -104.8 | 167.6 | 168.6 | 68.3 | 0 | 0 | 0 | 0 | 109.7 | M607 K608 A609 | S605-M607 PolarHBondContact O-N 3.33Å; S605-K608 PolarHBondContact O-N 2.98Å; S605-K608 PolarHBondContact OG-N 3.22Å; S605-A609 WeakPolarHBondContact O-CB 3.33Å; S605-A609 PolarHBondContact O-N 3.21Å | ||
| 606 | E | 94.4 | Very high | 95.3 | Very high | 108 Ų | 108 | 41.4 Ų | 41.4 | 51% | 0.505 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -54.5 | -37.4 | 174.3 | -165.3 | -170.7 | 152 | 0 | 0 | 112.2 | A609 K610 | E606-A609 PolarHBondContact O-N 3.42Å; E606-K610 WeakPolarHBondContact O-CG 3.49Å; E606-K610 PolarHBondContact O-N 2.89Å; E606-K610 WeakPolarHBondContact OE1-CE 3.29Å; E606-K610 IonicContact OE1-NZ 2.95Å; E606-K610 PolarHBondContact OE1-NZ 3.12Å |
| 607 | M | 96.9 | Very high | 95.5 | Very high | 155 Ų | 155 | 43.9 Ų | 43.9 | 76% | 0.764 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.2 | -45.7 | 176.1 | -172.9 | -174.5 | -64.9 | 0 | 0 | 112 | S605 K610 A611 | S605-M607 PolarHBondContact O-N 3.33Å; M607-K610 PolarHBondContact O-N 2.84Å; M607-A611 PolarHBondContact O-N 3.36Å; M607-A611 VanDerWaalsContact O-N 3.09Å |
| 608 | K | 97.5 | Very high | 95.6 | Very high | 52 Ų | 52 | 50.4 Ų | 50.4 | 23% | 0.226 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 178 | -66.3 | 174 | -179.8 | -179.7 | 0 | 111.5 | G603 L604 S605 K610 A611 I612 T638 | G603-K608 PolarHBondContact O-NZ 2.86Å; L604-K608 HydrophobicContact CD2-CB 4.34Å; L604-K608 HydrophobicContact CD2-CD 4.44Å; S605-K608 PolarHBondContact O-N 2.98Å; S605-K608 PolarHBondContact OG-N 3.22Å; K608-K610 PolarHBondContact O-N 3.3Å; K608-A611 WeakPolarHBondContact O-CB 3.37Å; K608-A611 PolarHBondContact O-N 3.1Å; K608-A611 VanDerWaalsContact O-N 3.13Å; K608-I612 WeakPolarHBondContact O-CG1 3.43Å; K608-I612 PolarHBondContact O-N 3.38Å; K608-T638 HydrophobicContact CD-CG2 3.8Å; K608-T638 VanDerWaalsContact NZ-CG2 3.31Å; K608-T638 PolarHBondContact NZ-OG1 2.84Å |
| 609 | A | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L595 L598 S605 E606 A611 I612 L613 | L595-A609 HydrophobicContact CD1-CB 3.71Å; L598-A609 HydrophobicContact CB-CB 4.05Å; L598-A609 HydrophobicContact CD2-CB 3.99Å; L598-A609 HydrophobicContact CG-CB 4Å; S605-A609 WeakPolarHBondContact O-CB 3.33Å; S605-A609 PolarHBondContact O-N 3.21Å; E606-A609 PolarHBondContact O-N 3.42Å; A609-A611 VanDerWaalsContact C-N 3.32Å; A609-A611 PolarHBondContact O-N 2.87Å; A609-I612 PolarHBondContact O-N 3.43Å; A609-L613 WeakPolarHBondContact O-CG 3.33Å; A609-L613 PolarHBondContact O-N 3.4Å |
| 610 | K | 97.2 | Very high | 95.5 | Very high | 98 Ų | 98 | 54.9 Ų | 54.9 | 43% | 0.426 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 171.9 | -73.7 | 175 | -174.7 | 166.9 | 0 | 112.2 | L595 E606 M607 K608 L613 T614 | L595-K610 HydrophobicContact CD1-CG 3.69Å; L595-K610 HydrophobicContact CD2-CG 4.11Å; E606-K610 WeakPolarHBondContact O-CG 3.49Å; E606-K610 PolarHBondContact O-N 2.89Å; E606-K610 WeakPolarHBondContact OE1-CE 3.29Å; E606-K610 IonicContact OE1-NZ 2.95Å; E606-K610 PolarHBondContact OE1-NZ 3.12Å; M607-K610 PolarHBondContact O-N 2.84Å; K608-K610 PolarHBondContact O-N 3.3Å; K610-L613 PolarHBondContact O-N 3.39Å; K610-T614 WeakPolarHBondContact O-CB 3.19Å; K610-T614 PolarHBondContact O-N 3.25Å; K610-T614 PolarHBondContact O-OG1 3.46Å |
| 611 | A | 97.6 | Very high | 95.3 | Very high | 26 Ų | 26 | 55.6 Ų | 55.6 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | M607 K608 A609 T614 Y615 V631 | M607-A611 PolarHBondContact O-N 3.36Å; M607-A611 VanDerWaalsContact O-N 3.09Å; K608-A611 WeakPolarHBondContact O-CB 3.37Å; K608-A611 PolarHBondContact O-N 3.1Å; K608-A611 VanDerWaalsContact O-N 3.13Å; A609-A611 VanDerWaalsContact C-N 3.32Å; A609-A611 PolarHBondContact O-N 2.87Å; A611-T614 PolarHBondContact O-N 3.31Å; A611-Y615 WeakPolarHBondContact O-CB 3.24Å; A611-Y615 PolarHBondContact O-N 2.83Å; A611-V631 HydrophobicContact CB-CG1 3.84Å |
| 612 | I | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 175 | -66.4 | 165.2 | 0 | 0 | 0 | 110.9 | L590 L598 L604 K608 A609 T614 Y615 R616 F622 L628 V631 I634 | L590-I612 HydrophobicContact CD1-CG2 4.22Å; L590-I612 HydrophobicContact CG-CG2 4.29Å; L598-I612 HydrophobicContact CD1-CD1 4.49Å; L598-I612 HydrophobicContact CD2-CB 3.73Å; L598-I612 HydrophobicContact CD2-CD1 3.86Å; L598-I612 HydrophobicContact CD2-CG1 4.41Å; L598-I612 HydrophobicContact CD2-CG2 3.65Å; L598-I612 HydrophobicContact CG-CD1 4.29Å; L604-I612 HydrophobicContact CD1-CD1 3.68Å; L604-I612 HydrophobicContact CD2-CD1 4.16Å; K608-I612 WeakPolarHBondContact O-CG1 3.43Å; K608-I612 PolarHBondContact O-N 3.38Å; A609-I612 PolarHBondContact O-N 3.43Å; I612-T614 VanDerWaalsContact C-N 3.3Å; I612-T614 PolarHBondContact O-N 3.19Å; I612-Y615 PolarHBondContact O-N 3.41Å; I612-R616 WeakPolarHBondContact O-CB 3.4Å; I612-R616 PolarHBondContact O-N 3.12Å; I612-F622 HydrophobicContact CG2-CE2 3.69Å; I612-F622 HydrophobicContact CG2-CZ 3.76Å; I612-L628 HydrophobicContact CD1-CD2 3.99Å; I612-L628 HydrophobicContact CG1-CD2 4.05Å; I612-V631 HydrophobicContact CG1-CG1 4.2Å; I612-I634 HydrophobicContact CD1-CD1 3.71Å; I612-I634 HydrophobicContact CG1-CD1 3.59Å |
| 613 | L | 95.3 | Very high | 94.9 | Very high | 32 Ų | 32 | 60.6 Ų | 60.6 | 17% | 0.168 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 177.8 | -68.5 | 178.3 | 0 | 0 | 0 | 112.5 | L595 A609 K610 R616 S617 | L595-L613 HydrophobicContact CB-CD1 3.62Å; L595-L613 HydrophobicContact CD1-CD1 3.96Å; L595-L613 HydrophobicContact CG-CD1 4.3Å; A609-L613 WeakPolarHBondContact O-CG 3.33Å; A609-L613 PolarHBondContact O-N 3.4Å; K610-L613 PolarHBondContact O-N 3.39Å; L613-R616 VanDerWaalsContact CD2-NH2 3.3Å; L613-R616 PolarHBondContact O-N 2.69Å; L613-S617 WeakPolarHBondContact O-CB 3.47Å; L613-S617 PolarHBondContact O-N 3.27Å; L613-S617 PolarHBondContact O-OG 3.13Å |
| 614 | T | 96.6 | Very high | 94.8 | Very high | 69 Ų | 69 | 60.7 Ų | 60.7 | 42% | 0.423 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 176.3 | -56.2 | 0 | 0 | 0 | 0 | 110.3 | K610 A611 I612 S617 Q618 | K610-T614 WeakPolarHBondContact O-CB 3.19Å; K610-T614 PolarHBondContact O-N 3.25Å; K610-T614 PolarHBondContact O-OG1 3.46Å; A611-T614 PolarHBondContact O-N 3.31Å; I612-T614 VanDerWaalsContact C-N 3.3Å; I612-T614 PolarHBondContact O-N 3.19Å; T614-S617 PolarHBondContact O-N 3.37Å; T614-Q618 WeakPolarHBondContact O-CB 3.35Å; T614-Q618 WeakPolarHBondContact O-CG 3.3Å; T614-Q618 PolarHBondContact O-N 3.4Å |
| 615 | Y | 96.7 | Very high | 94.8 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 15% | 0.153 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 175.6 | -175.6 | -82.5 | 0 | 0 | 0 | 111.3 | A611 I612 S617 Q618 V619 F622 K630 V631 | A611-Y615 WeakPolarHBondContact O-CB 3.24Å; A611-Y615 PolarHBondContact O-N 2.83Å; I612-Y615 PolarHBondContact O-N 3.41Å; Y615-S617 PolarHBondContact O-N 3Å; Y615-Q618 PolarHBondContact O-N 3.05Å; Y615-Q618 VanDerWaalsContact O-N 3.1Å; Y615-V619 HydrophobicContact CD1-CB 4.16Å; Y615-V619 HydrophobicContact CD1-CG2 4.35Å; Y615-V619 HydrophobicContact CD2-CG2 3.91Å; Y615-V619 HydrophobicContact CE1-CB 3.82Å; Y615-V619 HydrophobicContact CE1-CG1 4Å; Y615-V619 HydrophobicContact CE1-CG2 4.17Å; Y615-V619 HydrophobicContact CE2-CB 4.28Å; Y615-V619 HydrophobicContact CE2-CG1 4.48Å; Y615-V619 HydrophobicContact CE2-CG2 3.72Å; Y615-V619 HydrophobicContact CG-CG2 4.23Å; Y615-V619 PolarHBondContact O-N 3.05Å; Y615-F622 HydrophobicContact CD1-CD1 4.28Å; Y615-F622 AromaticContact CD1-CE1 3.45Å; Y615-F622 HydrophobicContact CD1-CE1 3.45Å; Y615-F622 VanDerWaalsContact CD1-CE1 3.45Å; Y615-F622 HydrophobicContact CD1-CE2 4.14Å; Y615-F622 AromaticContact CD1-CZ 3.36Å; Y615-F622 HydrophobicContact CD1-CZ 3.36Å; Y615-F622 HydrophobicContact CE1-CD1 4.1Å; Y615-F622 AromaticContact CE1-CE1 3.61Å; Y615-F622 HydrophobicContact CE1-CE1 3.61Å; Y615-F622 HydrophobicContact CE1-CZ 4.01Å; Y615-F622 HydrophobicContact CG-CE1 4.32Å; Y615-F622 HydrophobicContact CG-CZ 4.1Å; Y615-K630 HydrophobicContact CE2-CB 3.84Å; Y615-K630 WeakPolarHBondContact OH-CD 3.18Å; Y615-V631 HydrophobicContact CD1-CG2 4.23Å; Y615-V631 HydrophobicContact CD2-CG2 4.05Å; Y615-V631 HydrophobicContact CG-CG2 3.84Å |
| 616 | R | 93.8 | Very high | 94.8 | Very high | 64 Ų | 64 | 60.2 Ų | 60.2 | 24% | 0.242 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.9 | -38.9 | 177.1 | -171.8 | 176.4 | 74.1 | -167.6 | 10.5 | 112.6 | L590 N591 A593 I612 L613 G620 F622 | L590-R616 PolarHBondContact O-NH1 3.02Å; N591-R616 WeakPolarHBondContact O-CD 2.88Å; N591-R616 PolarHBondContact O-NH1 3.23Å; N591-R616 VanDerWaalsContact O-NH1 3.09Å; A593-R616 PolarHBondContact O-NH1 3.46Å; I612-R616 WeakPolarHBondContact O-CB 3.4Å; I612-R616 PolarHBondContact O-N 3.12Å; L613-R616 VanDerWaalsContact CD2-NH2 3.3Å; L613-R616 PolarHBondContact O-N 2.69Å; R616-G620 WeakPolarHBondContact CA-O 3.38Å; R616-G620 CarbonylContact O-C 3.57Å; R616-G620 WeakPolarHBondContact O-CA 3.42Å; R616-G620 PolarHBondContact O-N 3.22Å; R616-F622 HydrophobicContact CB-CE2 4.07Å |
| 617 | S | 92.9 | Very high | 94.8 | Very high | 101 Ų | 101 | 55.6 Ų | 55.6 | 71% | 0.706 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -77.3 | -27.9 | -178.5 | -52.7 | 0 | 0 | 0 | 0 | 113.1 | L613 T614 Y615 | L613-S617 WeakPolarHBondContact O-CB 3.47Å; L613-S617 PolarHBondContact O-N 3.27Å; L613-S617 PolarHBondContact O-OG 3.13Å; T614-S617 PolarHBondContact O-N 3.37Å; Y615-S617 PolarHBondContact O-N 3Å |
| 618 | Q | 95 | Very high | 94.7 | Very high | 155 Ų | 155 | 48.2 Ų | 48.2 | 72% | 0.724 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -95.6 | -42.1 | -175.2 | -71.5 | 177.3 | -8.1 | 0 | 0 | 113.3 | T614 Y615 | T614-Q618 WeakPolarHBondContact O-CB 3.35Å; T614-Q618 WeakPolarHBondContact O-CG 3.3Å; T614-Q618 PolarHBondContact O-N 3.4Å; Y615-Q618 PolarHBondContact O-N 3.05Å; Y615-Q618 VanDerWaalsContact O-N 3.1Å |
| 619 | V | 93.2 | Very high | 94.7 | Very high | 95 Ų | 95 | 49.1 Ų | 49.1 | 58% | 0.576 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -97.5 | -26.9 | -174.6 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | Y615 | Y615-V619 HydrophobicContact CD1-CB 4.16Å; Y615-V619 HydrophobicContact CD1-CG2 4.35Å; Y615-V619 HydrophobicContact CD2-CG2 3.91Å; Y615-V619 HydrophobicContact CE1-CB 3.82Å; Y615-V619 HydrophobicContact CE1-CG1 4Å; Y615-V619 HydrophobicContact CE1-CG2 4.17Å; Y615-V619 HydrophobicContact CE2-CB 4.28Å; Y615-V619 HydrophobicContact CE2-CG1 4.48Å; Y615-V619 HydrophobicContact CE2-CG2 3.72Å; Y615-V619 HydrophobicContact CG-CG2 4.23Å; Y615-V619 PolarHBondContact O-N 3.05Å |
| 620 | G | 90.1 | Very high | 94.7 | Very high | 21 Ų | 21 | 55 Ų | 55 | 22% | 0.216 | 30% | 0.298 | C | S | . | . | trans | 105.9 | -166.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R616 | R616-G620 WeakPolarHBondContact CA-O 3.38Å; R616-G620 CarbonylContact O-C 3.57Å; R616-G620 WeakPolarHBondContact O-CA 3.42Å; R616-G620 PolarHBondContact O-N 3.22Å | ||
| 621 | P | 91 | Very high | 94.6 | Very high | 70 Ų | 70 | 50.6 Ų | 50.6 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | trans | -69.8 | 146.3 | -174.5 | 30.2 | -35.3 | 0 | 0 | 0 | 111.9 | N591 Y652 | N591-P621 VanDerWaalsContact OD1-CA 3.3Å; N591-P621 WeakPolarHBondContact OD1-CA 3.29Å; P621-Y652 HydrophobicContact CB-CD1 3.96Å; P621-Y652 HydrophobicContact CB-CG 4.2Å | ||
| 622 | F | 93.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | trans | -68.5 | 136.7 | 169.3 | -63.1 | -90.7 | 0 | 0 | 0 | 109.8 | L590 N591 I612 Y615 R616 D627 L628 V631 V648 | L590-F622 HydrophobicContact CB-CD2 4.42Å; L590-F622 HydrophobicContact CD2-CB 3.67Å; L590-F622 HydrophobicContact CD2-CD1 3.55Å; L590-F622 HydrophobicContact CD2-CD2 3.31Å; L590-F622 HydrophobicContact CD2-CE1 3.96Å; L590-F622 HydrophobicContact CD2-CE2 3.73Å; L590-F622 HydrophobicContact CD2-CG 3.22Å; L590-F622 HydrophobicContact CD2-CZ 4.04Å; L590-F622 HydrophobicContact CG-CD2 3.77Å; L590-F622 HydrophobicContact CG-CE2 4.02Å; L590-F622 HydrophobicContact CG-CG 4.18Å; N591-F622 PolarHBondContact ND2-O 2.9Å; N591-F622 WeakPolarHBondContact OD1-CD2 3.19Å; N591-F622 PolarHBondContact OD1-N 2.79Å; I612-F622 HydrophobicContact CG2-CE2 3.69Å; I612-F622 HydrophobicContact CG2-CZ 3.76Å; Y615-F622 HydrophobicContact CD1-CD1 4.28Å; Y615-F622 AromaticContact CD1-CE1 3.45Å; Y615-F622 HydrophobicContact CD1-CE1 3.45Å; Y615-F622 VanDerWaalsContact CD1-CE1 3.45Å; Y615-F622 HydrophobicContact CD1-CE2 4.14Å; Y615-F622 AromaticContact CD1-CZ 3.36Å; Y615-F622 HydrophobicContact CD1-CZ 3.36Å; Y615-F622 HydrophobicContact CE1-CD1 4.1Å; Y615-F622 AromaticContact CE1-CE1 3.61Å; Y615-F622 HydrophobicContact CE1-CE1 3.61Å; Y615-F622 HydrophobicContact CE1-CZ 4.01Å; Y615-F622 HydrophobicContact CG-CE1 4.32Å; Y615-F622 HydrophobicContact CG-CZ 4.1Å; R616-F622 HydrophobicContact CB-CE2 4.07Å; F622-D627 HydrophobicContact CB-CB 4.48Å; F622-D627 HydrophobicContact CD1-CB 3.66Å; F622-D627 HydrophobicContact CE1-CB 4.46Å; F622-L628 HydrophobicContact CE1-CD2 4.28Å; F622-V631 HydrophobicContact CE1-CG2 3.66Å; F622-V631 HydrophobicContact CZ-CG2 3.81Å; F622-V648 WeakPolarHBondContact O-CG1 3.48Å | ||
| 623 | R | 90.7 | Very high | 94.3 | Very high | 104 Ų | 104 | 61.5 Ų | 61.5 | 39% | 0.392 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -101.8 | -27.6 | -178.6 | -60.2 | -175.3 | 179.2 | -165.7 | 0.3 | 112.5 | D627 | R623-D627 WeakPolarHBondContact CA-OD2 3.18Å; R623-D627 PolarHBondContact N-OD2 3.4Å |
| 624 | S | 93.5 | Very high | 94.4 | Very high | 20 Ų | 20 | 60.3 Ų | 60.3 | 14% | 0.14 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -143 | 167 | 172.6 | 69.5 | 0 | 0 | 0 | 0 | 111.2 | A626 D627 D729 | S624-A626 PolarHBondContact O-N 3.27Å; S624-A626 PolarHBondContact OG-N 3.31Å; S624-D627 PolarHBondContact N-OD2 3.18Å; S624-D627 VanDerWaalsContact N-OD2 3.09Å; S624-D627 WeakPolarHBondContact O-CB 3.48Å; S624-D627 PolarHBondContact O-N 3.01Å; S624-D729 WeakPolarHBondContact CA-OD2 3.29Å; S624-D729 WeakPolarHBondContact CB-OD2 3.04Å |
| 625 | R | 95.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -57.8 | -38.5 | 170.7 | -72.3 | 175.2 | 174.7 | 165.7 | -8.7 | 111.9 | D627 L628 F639 A643 V646 L728 D729 T731 V733 Y738 | R625-D627 PolarHBondContact O-N 3.04Å; R625-D627 VanDerWaalsContact O-N 3.1Å; R625-L628 VanDerWaalsContact O-CB 3.29Å; R625-L628 WeakPolarHBondContact O-CB 3.31Å; R625-L628 PolarHBondContact O-N 2.97Å; R625-F639 HydrophobicContact CB-CE2 4.3Å; R625-F639 HydrophobicContact CB-CZ 4.48Å; R625-F639 VanDerWaalsContact O-CE2 3.28Å; R625-F639 WeakPolarHBondContact O-CE2 3.46Å; R625-A643 VanDerWaalsContact CD-O 3.29Å; R625-A643 WeakPolarHBondContact CD-O 3.35Å; R625-A643 PolarHBondContact NE-O 3.46Å; R625-V646 HydrophobicContact CG-CG2 4.18Å; R625-V646 VanDerWaalsContact CZ-O 3.25Å; R625-V646 PolarHBondContact NE-O 3.11Å; R625-V646 PolarHBondContact NH2-O 3.14Å; R625-L728 PolarHBondContact NH1-O 3.31Å; R625-D729 WeakPolarHBondContact CD-OD1 3.43Å; R625-D729 HydrophobicContact CG-CB 4.18Å; R625-D729 PolarHBondContact N-OD2 3.47Å; R625-D729 PolarHBondContact NH2-O 2.76Å; R625-T731 PolarHBondContact NH2-O 3.14Å; R625-V733 PolarHBondContact NH1-O 3.47Å; R625-Y738 WeakPolarHBondContact CD-OH 3.47Å; R625-Y738 PolarHBondContact NH1-OH 3.05Å |
| 626 | A | 94.5 | Very high | 94.3 | Very high | 53 Ų | 53 | 62.8 Ų | 62.8 | 44% | 0.438 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -59.1 | -25.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | S624 L628 L629 | S624-A626 PolarHBondContact O-N 3.27Å; S624-A626 PolarHBondContact OG-N 3.31Å; A626-L628 PolarHBondContact O-N 3.15Å; A626-L628 VanDerWaalsContact O-N 3.12Å; A626-L629 WeakPolarHBondContact O-CB 3.17Å; A626-L629 PolarHBondContact O-N 3.46Å; A626-L629 VanDerWaalsContact O-N 3.07Å |
| 627 | D | 94.3 | Very high | 94.3 | Very high | 10 Ų | 10 | 63.5 Ų | 63.5 | 5% | 0.053 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -60.9 | -19.6 | 174.6 | -69.1 | -30.9 | 0 | 0 | 0 | 113.3 | F622 R623 S624 R625 L629 K630 | F622-D627 HydrophobicContact CB-CB 4.48Å; F622-D627 HydrophobicContact CD1-CB 3.66Å; F622-D627 HydrophobicContact CE1-CB 4.46Å; R623-D627 WeakPolarHBondContact CA-OD2 3.18Å; R623-D627 PolarHBondContact N-OD2 3.4Å; S624-D627 PolarHBondContact N-OD2 3.18Å; S624-D627 VanDerWaalsContact N-OD2 3.09Å; S624-D627 WeakPolarHBondContact O-CB 3.48Å; S624-D627 PolarHBondContact O-N 3.01Å; R625-D627 PolarHBondContact O-N 3.04Å; R625-D627 VanDerWaalsContact O-N 3.1Å; D627-L629 PolarHBondContact O-N 3.22Å; D627-K630 HydrophobicContact CB-CD 4.4Å; D627-K630 VanDerWaalsContact O-CB 3.26Å; D627-K630 WeakPolarHBondContact O-CB 3.3Å; D627-K630 PolarHBondContact O-N 2.85Å; D627-K630 WeakPolarHBondContact OD1-CE 3.38Å; D627-K630 IonicContact OD1-NZ 2.69Å; D627-K630 PolarHBondContact OD1-NZ 2.85Å |
| 628 | L | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -59.1 | -30.1 | 172.9 | -81 | 174.9 | 0 | 0 | 0 | 113.2 | L590 I612 F622 R625 A626 K630 V631 I634 F639 V646 | L590-L628 HydrophobicContact CD1-CD1 4.34Å; L590-L628 HydrophobicContact CD1-CD2 3.86Å; L590-L628 HydrophobicContact CD1-CG 4.43Å; L590-L628 HydrophobicContact CD2-CD1 4.4Å; L590-L628 HydrophobicContact CD2-CD2 3.68Å; L590-L628 HydrophobicContact CD2-CG 3.85Å; L590-L628 HydrophobicContact CG-CD2 4.37Å; I612-L628 HydrophobicContact CD1-CD2 3.99Å; I612-L628 HydrophobicContact CG1-CD2 4.05Å; F622-L628 HydrophobicContact CE1-CD2 4.28Å; R625-L628 VanDerWaalsContact O-CB 3.29Å; R625-L628 WeakPolarHBondContact O-CB 3.31Å; R625-L628 PolarHBondContact O-N 2.97Å; A626-L628 PolarHBondContact O-N 3.15Å; A626-L628 VanDerWaalsContact O-N 3.12Å; L628-K630 PolarHBondContact O-N 2.87Å; L628-V631 HydrophobicContact CD2-CG2 4.46Å; L628-V631 WeakPolarHBondContact O-CB 3.35Å; L628-V631 PolarHBondContact O-N 3.4Å; L628-I634 HydrophobicContact CB-CG2 4.39Å; L628-I634 HydrophobicContact CD2-CD1 4.01Å; L628-I634 WeakPolarHBondContact O-CB 3.38Å; L628-I634 WeakPolarHBondContact O-CG2 3.33Å; L628-F639 HydrophobicContact CB-CD2 3.99Å; L628-F639 HydrophobicContact CB-CE2 4.35Å; L628-F639 HydrophobicContact CD1-CD2 4.43Å; L628-V646 HydrophobicContact CD1-CG2 3.85Å |
| 629 | L | 96.9 | Very high | 94.6 | Very high | 72 Ų | 72 | 52.9 Ų | 52.9 | 38% | 0.377 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -67.7 | -16.7 | 176.7 | -67.6 | 168.7 | 0 | 0 | 0 | 112.5 | A626 D627 V631 F639 | A626-L629 WeakPolarHBondContact O-CB 3.17Å; A626-L629 PolarHBondContact O-N 3.46Å; A626-L629 VanDerWaalsContact O-N 3.07Å; D627-L629 PolarHBondContact O-N 3.22Å; L629-V631 VanDerWaalsContact C-N 3.29Å; L629-F639 HydrophobicContact CD1-CG 4.49Å; L629-F639 HydrophobicContact CD2-CB 3.65Å; L629-F639 HydrophobicContact CD2-CD1 4.46Å; L629-F639 HydrophobicContact CD2-CD2 4.38Å; L629-F639 HydrophobicContact CD2-CG 3.91Å; L629-F639 HydrophobicContact CG-CB 4.32Å; L629-F639 HydrophobicContact CG-CD2 4.13Å; L629-F639 HydrophobicContact CG-CG 4.07Å |
| 630 | K | 96 | Very high | 94.7 | Very high | 123 Ų | 123 | 49.1 Ų | 49.1 | 54% | 0.535 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -79.3 | -13.9 | 174.2 | -55.7 | 172 | 179.2 | 169 | 0 | 112 | Y615 D627 L628 | Y615-K630 HydrophobicContact CE2-CB 3.84Å; Y615-K630 WeakPolarHBondContact OH-CD 3.18Å; D627-K630 HydrophobicContact CB-CD 4.4Å; D627-K630 VanDerWaalsContact O-CB 3.26Å; D627-K630 WeakPolarHBondContact O-CB 3.3Å; D627-K630 PolarHBondContact O-N 2.85Å; D627-K630 WeakPolarHBondContact OD1-CE 3.38Å; D627-K630 IonicContact OD1-NZ 2.69Å; D627-K630 PolarHBondContact OD1-NZ 2.85Å; L628-K630 PolarHBondContact O-N 2.87Å |
| 631 | V | 96.9 | Very high | 95 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -80.7 | 126.3 | -179.3 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | A611 I612 Y615 F622 L628 L629 G633 I634 | A611-V631 HydrophobicContact CB-CG1 3.84Å; I612-V631 HydrophobicContact CG1-CG1 4.2Å; Y615-V631 HydrophobicContact CD1-CG2 4.23Å; Y615-V631 HydrophobicContact CD2-CG2 4.05Å; Y615-V631 HydrophobicContact CG-CG2 3.84Å; F622-V631 HydrophobicContact CE1-CG2 3.66Å; F622-V631 HydrophobicContact CZ-CG2 3.81Å; L628-V631 HydrophobicContact CD2-CG2 4.46Å; L628-V631 WeakPolarHBondContact O-CB 3.35Å; L628-V631 PolarHBondContact O-N 3.4Å; L629-V631 VanDerWaalsContact C-N 3.29Å; V631-G633 PolarHBondContact O-N 3.22Å; V631-I634 HydrophobicContact CB-CB 4.36Å; V631-I634 HydrophobicContact CB-CD1 3.93Å; V631-I634 HydrophobicContact CB-CG1 4.17Å; V631-I634 HydrophobicContact CG1-CD1 3.98Å; V631-I634 HydrophobicContact CG1-CG1 4.2Å; V631-I634 HydrophobicContact CG2-CD1 4.48Å; V631-I634 PolarHBondContact O-N 2.9Å |
| 632 | K | 94.4 | Very high | 95.2 | Very high | 196 Ų | 196 | 45.6 Ų | 45.6 | 85% | 0.852 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 124.5 | 177.1 | -174 | 179.6 | 179.8 | 179.8 | 0 | 111.3 | ||
| 633 | G | 94.3 | Very high | 95.4 | Very high | 59 Ų | 59 | 45.5 Ų | 45.5 | 61% | 0.608 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.6 | -2.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V631 | V631-G633 PolarHBondContact O-N 3.22Š|
| 634 | I | 96.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | trans | -103.9 | 97.6 | 171.9 | -58.9 | -171.8 | 0 | 0 | 0 | 108.6 | L604 I612 L628 V631 T638 | L604-I634 HydrophobicContact CD2-CD1 4.46Å; I612-I634 HydrophobicContact CD1-CD1 3.71Å; I612-I634 HydrophobicContact CG1-CD1 3.59Å; L628-I634 HydrophobicContact CB-CG2 4.39Å; L628-I634 HydrophobicContact CD2-CD1 4.01Å; L628-I634 WeakPolarHBondContact O-CB 3.38Å; L628-I634 WeakPolarHBondContact O-CG2 3.33Å; V631-I634 HydrophobicContact CB-CB 4.36Å; V631-I634 HydrophobicContact CB-CD1 3.93Å; V631-I634 HydrophobicContact CB-CG1 4.17Å; V631-I634 HydrophobicContact CG1-CD1 3.98Å; V631-I634 HydrophobicContact CG1-CG1 4.2Å; V631-I634 HydrophobicContact CG2-CD1 4.48Å; V631-I634 PolarHBondContact O-N 2.9Å; I634-T638 HydrophobicContact CB-CG2 4.48Å; I634-T638 HydrophobicContact CG1-CG2 4.37Å; I634-T638 HydrophobicContact CG2-CG2 3.95Å | ||
| 635 | G | 95.6 | Very high | 95.8 | Very high | 39 Ų | 39 | 39.8 Ų | 39.8 | 40% | 0.402 | 24% | 0.237 | S | C | . | . | trans | -95.6 | -179.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A637 T638 F639 | G635-A637 VanDerWaalsContact C-N 3.31Å; G635-A637 PolarHBondContact O-N 3.25Å; G635-T638 WeakPolarHBondContact O-CB 3.39Å; G635-T638 PolarHBondContact O-N 2.84Å; G635-F639 PolarHBondContact O-N 2.77Å | ||
| 636 | Q | 95.6 | Very high | 95.8 | Very high | 122 Ų | 122 | 39.7 Ų | 39.7 | 57% | 0.57 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -52.4 | -44 | -175.2 | -164.7 | 64.5 | 19 | 0 | 0 | 113.8 | T638 F639 A640 | Q636-T638 VanDerWaalsContact C-N 3.33Å; Q636-T638 PolarHBondContact O-N 2.85Å; Q636-F639 PolarHBondContact O-N 3.44Å; Q636-A640 WeakPolarHBondContact O-CB 3.24Å; Q636-A640 PolarHBondContact O-N 2.77Å |
| 637 | A | 94.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 38.1 Ų | 38.1 | 65% | 0.653 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -63.4 | -39 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G635 Q641 | G635-A637 VanDerWaalsContact C-N 3.31Å; G635-A637 PolarHBondContact O-N 3.25Å; A637-Q641 WeakPolarHBondContact O-CG 3.47Å; A637-Q641 PolarHBondContact O-N 2.85Å |
| 638 | T | 96.5 | Very high | 95.5 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 12% | 0.117 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.7 | -43.3 | 177.1 | -62.3 | 0 | 0 | 0 | 0 | 110.9 | L604 K608 I634 G635 Q636 A640 Q641 C642 | L604-T638 HydrophobicContact CD2-CG2 4.09Å; K608-T638 HydrophobicContact CD-CG2 3.8Å; K608-T638 VanDerWaalsContact NZ-CG2 3.31Å; K608-T638 PolarHBondContact NZ-OG1 2.84Å; I634-T638 HydrophobicContact CB-CG2 4.48Å; I634-T638 HydrophobicContact CG1-CG2 4.37Å; I634-T638 HydrophobicContact CG2-CG2 3.95Å; G635-T638 WeakPolarHBondContact O-CB 3.39Å; G635-T638 PolarHBondContact O-N 2.84Å; Q636-T638 VanDerWaalsContact C-N 3.33Å; Q636-T638 PolarHBondContact O-N 2.85Å; T638-A640 VanDerWaalsContact C-N 3.35Å; T638-A640 PolarHBondContact O-N 3.36Å; T638-Q641 PolarHBondContact O-N 3.26Å; T638-Q641 VanDerWaalsContact O-N 3.14Å; T638-C642 PolarHBondContact O-N 3.11Å; T638-C642 VanDerWaalsContact O-N 3.13Å; T638-C642 PolarHBondContact O-SG 3.15Å |
| 639 | F | 97.5 | Very high | 94.9 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 6% | 0.057 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.3 | -49.5 | 176.6 | 177.6 | -102.8 | 0 | 0 | 0 | 111.1 | R625 L628 L629 G635 Q636 Q641 C642 A643 P735 | R625-F639 HydrophobicContact CB-CE2 4.3Å; R625-F639 HydrophobicContact CB-CZ 4.48Å; R625-F639 VanDerWaalsContact O-CE2 3.28Å; R625-F639 WeakPolarHBondContact O-CE2 3.46Å; L628-F639 HydrophobicContact CB-CD2 3.99Å; L628-F639 HydrophobicContact CB-CE2 4.35Å; L628-F639 HydrophobicContact CD1-CD2 4.43Å; L629-F639 HydrophobicContact CD1-CG 4.49Å; L629-F639 HydrophobicContact CD2-CB 3.65Å; L629-F639 HydrophobicContact CD2-CD1 4.46Å; L629-F639 HydrophobicContact CD2-CD2 4.38Å; L629-F639 HydrophobicContact CD2-CG 3.91Å; L629-F639 HydrophobicContact CG-CB 4.32Å; L629-F639 HydrophobicContact CG-CD2 4.13Å; L629-F639 HydrophobicContact CG-CG 4.07Å; G635-F639 PolarHBondContact O-N 2.77Å; Q636-F639 PolarHBondContact O-N 3.44Å; F639-Q641 VanDerWaalsContact C-N 3.27Å; F639-Q641 PolarHBondContact O-N 2.96Å; F639-C642 PolarHBondContact O-N 3.3Å; F639-A643 HydrophobicContact CD1-CB 4.39Å; F639-A643 HydrophobicContact CD2-CB 3.99Å; F639-A643 HydrophobicContact CE1-CB 4.09Å; F639-A643 HydrophobicContact CE2-CB 3.64Å; F639-A643 HydrophobicContact CG-CB 4.35Å; F639-A643 HydrophobicContact CZ-CB 3.71Å; F639-A643 WeakPolarHBondContact O-CB 3.35Å; F639-A643 PolarHBondContact O-N 3.27Å; F639-P735 HydrophobicContact CE1-CB 4.35Å; F639-P735 HydrophobicContact CE1-CG 4.44Å; F639-P735 HydrophobicContact CZ-CB 4.34Å; F639-P735 HydrophobicContact CZ-CG 4.09Å |
| 640 | A | 94.9 | Very high | 93.8 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.1 | -38.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F41 Q636 T638 H734 | F41-A640 WeakPolarHBondContact CD2-O 3.29Å; F41-A640 WeakPolarHBondContact CE2-O 3.39Å; Q636-A640 WeakPolarHBondContact O-CB 3.24Å; Q636-A640 PolarHBondContact O-N 2.77Å; T638-A640 VanDerWaalsContact C-N 3.35Å; T638-A640 PolarHBondContact O-N 3.36Å; A640-H734 PolarHBondContact O-NE2 2.89Å |
| 641 | Q | 95.8 | Very high | 92.7 | Very high | 16 Ų | 16 | 36.1 Ų | 36.1 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.8 | -36.1 | 179 | -65.6 | -62.2 | -46.4 | 0 | 0 | 113.6 | T38 A637 T638 F639 F645 | T38-Q641 PolarHBondContact OG1-OE1 2.97Å; A637-Q641 WeakPolarHBondContact O-CG 3.47Å; A637-Q641 PolarHBondContact O-N 2.85Å; T638-Q641 PolarHBondContact O-N 3.26Å; T638-Q641 VanDerWaalsContact O-N 3.14Å; F639-Q641 VanDerWaalsContact C-N 3.27Å; F639-Q641 PolarHBondContact O-N 2.96Å; Q641-F645 VanDerWaalsContact O-CD2 3.28Å; Q641-F645 WeakPolarHBondContact O-CD2 3.39Å; Q641-F645 VanDerWaalsContact O-CE2 3.25Å; Q641-F645 WeakPolarHBondContact O-CE2 3.19Å |
| 642 | C | 96.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -105.4 | -21.8 | -169 | 70.7 | 0 | 0 | 0 | 0 | 114.8 | V601 A602 L604 T638 F639 G644 F645 V646 | V601-C642 HydrophobicContact CG1-CB 4.23Å; A602-C642 WeakPolarHBondContact O-CA 3.46Å; A602-C642 WeakPolarHBondContact O-CB 3.48Å; L604-C642 HydrophobicContact CD2-CB 3.98Å; L604-C642 HydrophobicContact CG-CB 3.98Å; T638-C642 PolarHBondContact O-N 3.11Å; T638-C642 VanDerWaalsContact O-N 3.13Å; T638-C642 PolarHBondContact O-SG 3.15Å; F639-C642 PolarHBondContact O-N 3.3Å; C642-G644 VanDerWaalsContact C-N 3.33Å; C642-G644 PolarHBondContact O-N 3.19Å; C642-F645 PolarHBondContact O-N 2.95Å; C642-V646 PolarHBondContact O-N 3.05Å |
| 643 | A | 96.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -61.5 | -38.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R625 F639 F645 V646 P735 | R625-A643 VanDerWaalsContact CD-O 3.29Å; R625-A643 WeakPolarHBondContact CD-O 3.35Å; R625-A643 PolarHBondContact NE-O 3.46Å; F639-A643 HydrophobicContact CD1-CB 4.39Å; F639-A643 HydrophobicContact CD2-CB 3.99Å; F639-A643 HydrophobicContact CE1-CB 4.09Å; F639-A643 HydrophobicContact CE2-CB 3.64Å; F639-A643 HydrophobicContact CG-CB 4.35Å; F639-A643 HydrophobicContact CZ-CB 3.71Å; F639-A643 WeakPolarHBondContact O-CB 3.35Å; F639-A643 PolarHBondContact O-N 3.27Å; A643-F645 PolarHBondContact O-N 3.31Å; A643-V646 VanDerWaalsContact O-CG2 3.31Å; A643-V646 WeakPolarHBondContact O-CG2 3.14Å; A643-V646 PolarHBondContact O-N 2.92Å; A643-P735 HydrophobicContact CB-CG 3.78Å |
| 644 | G | 95.5 | Very high | 87 | Confident | 3 Ų | 3 | 32 Ų | 32 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -68 | -15.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y45 C642 | Y45-G644 WeakPolarHBondContact OH-CA 3.42Å; Y45-G644 PolarHBondContact OH-O 3.34Å; C642-G644 VanDerWaalsContact C-N 3.33Å; C642-G644 PolarHBondContact O-N 3.19Å |
| 645 | F | 96.5 | Very high | 84.2 | Confident | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -102.8 | -4 | -177.6 | -55.5 | -57.9 | 0 | 0 | 0 | 113.7 | P40 F41 R44 Y45 S584 G587 V588 V601 A602 Q641 C642 A643 | P40-F645 HydrophobicContact CB-CE1 4.49Å; P40-F645 HydrophobicContact CB-CE2 4.43Å; P40-F645 HydrophobicContact CB-CZ 3.95Å; F41-F645 HydrophobicContact CB-CE2 4.15Å; F41-F645 HydrophobicContact CB-CZ 4.42Å; F41-F645 HydrophobicContact CD2-CE2 4.45Å; R44-F645 HydrophobicContact CB-CE1 4.32Å; R44-F645 HydrophobicContact CB-CZ 4.45Å; Y45-F645 HydrophobicContact CD2-CZ 4.11Å; Y45-F645 HydrophobicContact CE2-CD1 4.31Å; Y45-F645 AromaticContact CE2-CE1 3.73Å; Y45-F645 HydrophobicContact CE2-CE1 3.73Å; Y45-F645 HydrophobicContact CE2-CE2 4.02Å; Y45-F645 AromaticContact CE2-CZ 3.56Å; Y45-F645 HydrophobicContact CE2-CZ 3.56Å; S584-F645 WeakPolarHBondContact O-CD1 3.27Å; G587-F645 CarbonylContact C-O 3.5Å; G587-F645 WeakPolarHBondContact CA-O 3.44Å; V588-F645 PolarHBondContact N-O 3.33Å; V601-F645 HydrophobicContact CG1-CB 3.8Å; A602-F645 HydrophobicContact CB-CD2 3.76Å; A602-F645 HydrophobicContact CB-CE2 3.64Å; Q641-F645 VanDerWaalsContact O-CD2 3.28Å; Q641-F645 WeakPolarHBondContact O-CD2 3.39Å; Q641-F645 VanDerWaalsContact O-CE2 3.25Å; Q641-F645 WeakPolarHBondContact O-CE2 3.19Å; C642-F645 PolarHBondContact O-N 2.95Å; A643-F645 PolarHBondContact O-N 3.31Å |
| 646 | V | 95.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 151.7 | 176.1 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | V588 L590 V601 R625 L628 C642 A643 | V588-V646 CarbonylContact O-C 3.55Å; V588-V646 VanDerWaalsContact O-CA 3.3Å; V588-V646 WeakPolarHBondContact O-CA 3.41Å; L590-V646 HydrophobicContact CD1-CB 4.03Å; L590-V646 HydrophobicContact CD1-CG1 3.8Å; V601-V646 HydrophobicContact CG1-CG1 4.31Å; R625-V646 HydrophobicContact CG-CG2 4.18Å; R625-V646 VanDerWaalsContact CZ-O 3.25Å; R625-V646 PolarHBondContact NE-O 3.11Å; R625-V646 PolarHBondContact NH2-O 3.14Å; L628-V646 HydrophobicContact CD1-CG2 3.85Å; C642-V646 PolarHBondContact O-N 3.05Å; A643-V646 VanDerWaalsContact O-CG2 3.31Å; A643-V646 WeakPolarHBondContact O-CG2 3.14Å; A643-V646 PolarHBondContact O-N 2.92Å |
| 647 | R | 92.4 | Very high | 78.2 | Confident | 19 Ų | 19 | 37 Ų | 37 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 150.2 | -179.8 | -57.2 | 175.7 | -172.3 | -163.1 | -7.5 | 110.4 | V586 V588 D589 L590 D729 D802 F803 | V586-R647 VanDerWaalsContact O-CZ 3.24Å; V586-R647 PolarHBondContact O-NH2 3.13Å; V588-R647 PolarHBondContact O-N 2.95Å; D589-R647 WeakPolarHBondContact CA-O 3.14Å; L590-R647 PolarHBondContact N-O 3.07Å; R647-D729 VanDerWaalsContact CA-O 3.28Å; R647-D729 WeakPolarHBondContact CA-O 3.25Å; R647-D802 IonicContact CZ-OD1 2.89Å; R647-D802 PolarHBondContact NH1-O 2.82Å; R647-D802 IonicContact NH1-OD1 2.69Å; R647-D802 PolarHBondContact NH1-OD1 3.27Å; R647-F803 VanDerWaalsContact CZ-O 3.26Å; R647-F803 PolarHBondContact NH1-O 3.33Å; R647-F803 PolarHBondContact NH2-O 3.48Å |
| 648 | V | 90.7 | Very high | 75.2 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | trans | -127.9 | 125.7 | 172 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | F622 Y652 F725 D729 Q730 | F622-V648 WeakPolarHBondContact O-CG1 3.48Å; V648-Y652 HydrophobicContact CG1-CD2 4.36Å; V648-F725 WeakPolarHBondContact O-CE2 3.41Å; V648-D729 HydrophobicContact CB-CB 4.46Å; V648-D729 PolarHBondContact N-O 3.14Å; V648-Q730 WeakPolarHBondContact O-CG 3.31Å | ||
| 649 | K | 83.3 | Confident | 72.1 | Confident | 21 Ų | 21 | 41.1 Ų | 41.1 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | trans | -81.7 | 150.4 | -179.9 | -55.9 | -167.5 | 170.9 | -164.1 | 0 | 112.9 | G396 D589 T651 Y652 D802 | G396-K649 PolarHBondContact O-NZ 3.21Å; D589-K649 WeakPolarHBondContact OD2-CD 3.37Å; D589-K649 WeakPolarHBondContact OD2-CE 3.48Å; D589-K649 WeakPolarHBondContact OD2-CG 3.34Å; K649-T651 PolarHBondContact O-N 3.27Å; K649-Y652 HydrophobicContact CB-CD2 3.73Å; K649-Y652 HydrophobicContact CB-CE2 3.54Å; K649-Y652 HydrophobicContact CD-CE2 4.43Å; K649-Y652 HydrophobicContact CG-CE2 3.94Å; K649-Y652 VanDerWaalsContact O-CD2 3.23Å; K649-Y652 WeakPolarHBondContact O-CD2 3.46Å; K649-Y652 PolarHBondContact O-N 2.93Å; K649-Y652 VanDerWaalsContact O-N 3.15Å; K649-D802 WeakPolarHBondContact CE-OD2 3.19Å; K649-D802 IonicContact NZ-OD2 2.7Å; K649-D802 PolarHBondContact NZ-OD2 3.24Å | ||
| 650 | P | 73.7 | Confident | 68.8 | Low | 30 Ų | 30 | 46.2 Ų | 46.2 | 20% | 0.195 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -63.3 | -26.2 | 179.2 | 20.3 | -29.8 | 0 | 0 | 0 | 113.2 | Y652 S653 L657 F725 Q730 | P650-Y652 PolarHBondContact O-N 3.43Å; P650-S653 PolarHBondContact O-N 3.03Å; P650-L657 HydrophobicContact CB-CD1 3.68Å; P650-L657 HydrophobicContact CG-CD1 4.29Å; P650-F725 HydrophobicContact CB-CD1 3.91Å; P650-F725 HydrophobicContact CB-CD2 3.94Å; P650-F725 HydrophobicContact CB-CE1 3.79Å; P650-F725 HydrophobicContact CB-CE2 3.84Å; P650-F725 HydrophobicContact CB-CG 3.96Å; P650-F725 HydrophobicContact CB-CZ 3.76Å; P650-F725 HydrophobicContact CG-CE1 4.22Å; P650-F725 HydrophobicContact CG-CE2 4.31Å; P650-F725 HydrophobicContact CG-CZ 3.96Å; P650-Q730 VanDerWaalsContact CD-NE2 3.31Å; P650-Q730 VanDerWaalsContact CD-OE1 3.28Å |
| 651 | T | 73.3 | Confident | 65.6 | Low | 111 Ų | 111 | 52.6 Ų | 52.6 | 68% | 0.681 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -58.1 | -13.6 | 175.5 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | K649 | K649-T651 PolarHBondContact O-N 3.27Š|
| 652 | Y | 62.7 | Low | 62.4 | Low | 66 Ų | 66 | 59.7 Ų | 59.7 | 26% | 0.259 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -99.2 | -8.5 | 178.5 | -52.1 | -55.8 | 0 | 0 | 0 | 113.6 | N591 P621 V648 K649 P650 | N591-Y652 HydrophobicContact CB-CD1 4.42Å; N591-Y652 HydrophobicContact CB-CD2 3.96Å; N591-Y652 HydrophobicContact CB-CE1 4.05Å; N591-Y652 HydrophobicContact CB-CE2 3.5Å; N591-Y652 HydrophobicContact CB-CG 4.38Å; N591-Y652 WeakPolarHBondContact ND2-CD2 3.33Å; N591-Y652 WeakPolarHBondContact ND2-CE2 3.4Å; N591-Y652 VanDerWaalsContact ND2-CG 3.32Å; P621-Y652 HydrophobicContact CB-CD1 3.96Å; P621-Y652 HydrophobicContact CB-CG 4.2Å; V648-Y652 HydrophobicContact CG1-CD2 4.36Å; K649-Y652 HydrophobicContact CB-CD2 3.73Å; K649-Y652 HydrophobicContact CB-CE2 3.54Å; K649-Y652 HydrophobicContact CD-CE2 4.43Å; K649-Y652 HydrophobicContact CG-CE2 3.94Å; K649-Y652 VanDerWaalsContact O-CD2 3.23Å; K649-Y652 WeakPolarHBondContact O-CD2 3.46Å; K649-Y652 PolarHBondContact O-N 2.93Å; K649-Y652 VanDerWaalsContact O-N 3.15Å; P650-Y652 PolarHBondContact O-N 3.43Å |
| 653 | S | 57.9 | Low | 59.2 | Low | 14 Ų | 14 | 65.7 Ų | 65.7 | 10% | 0.098 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -93.6 | 152.3 | 174.9 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | P650 T655 N723 F725 | P650-S653 PolarHBondContact O-N 3.03Å; S653-T655 PolarHBondContact O-N 3.35Å; S653-N723 PolarHBondContact OG-O 3.44Å; S653-F725 PolarHBondContact OG-N 3.07Å |
| 654 | T | 44.8 | Very low | 55.7 | Low | 95 Ų | 95 | 74.5 Ų | 74.5 | 58% | 0.583 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -71.7 | -5.6 | 179 | 41.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 655 | T | 39.3 | Very low | 52.3 | Low | 48 Ų | 48 | 81.1 Ų | 81.1 | 29% | 0.294 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -91 | 107.1 | 176.8 | -33.4 | 0 | 0 | 0 | 0 | 109.8 | S653 L657 | S653-T655 PolarHBondContact O-N 3.35Å; T655-L657 PolarHBondContact O-N 2.79Å |
| 656 | T | 29.6 | Very low | 48.9 | Very low | 127 Ų | 127 | 88.7 Ų | 88.7 | 78% | 0.779 | 49% | 0.494 | S | S | * | . | trans | -63.8 | 102.4 | 167.2 | 44.2 | 0 | 0 | 0 | 0 | 108.9 | D658 | T656-D658 PolarHBondContact O-N 3.23Š| ||
| 657 | L | 34.7 | Very low | 45.5 | Very low | 96 Ų | 96 | 92.7 Ų | 92.7 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | trans | -72.3 | 101.7 | 159.6 | -76.3 | 165.8 | 0 | 0 | 0 | 106.3 | P650 T655 G659 F725 | P650-L657 HydrophobicContact CB-CD1 3.68Å; P650-L657 HydrophobicContact CG-CD1 4.29Å; T655-L657 PolarHBondContact O-N 2.79Å; L657-G659 PolarHBondContact O-N 3.28Å; L657-F725 HydrophobicContact CD1-CD1 3.66Å; L657-F725 HydrophobicContact CD1-CE1 3.85Å | ||
| 658 | D | 30.4 | Very low | 42.3 | Very low | 104 Ų | 104 | 99.4 Ų | 99.4 | 56% | 0.556 | 56% | 0.558 | S | S | * | * | trans | -61.9 | 105.2 | 178.7 | -122.1 | 3.6 | 0 | 0 | 0 | 108.3 | T656 T660 | T656-D658 PolarHBondContact O-N 3.23Å; D658-T660 PolarHBondContact O-N 3.36Å | ||
| 659 | G | 32.4 | Very low | 39.1 | Very low | 82 Ų | 82 | 104.3 Ų | 104.3 | 85% | 0.845 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 20.2 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | L657 | L657-G659 PolarHBondContact O-N 3.28Š|
| 660 | T | 28.3 | Very low | 36.4 | Very low | 119 Ų | 119 | 109 Ų | 109 | 73% | 0.73 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.6 | 8.2 | -170.7 | 52.6 | 0 | 0 | 0 | 0 | 114.8 | D658 | D658-T660 PolarHBondContact O-N 3.36Š|
| 661 | K | 27.6 | Very low | 34 | Very low | 151 Ų | 151 | 110.7 Ų | 110.7 | 66% | 0.657 | 65% | 0.651 | S | S | * | * | trans | -121.4 | 106.6 | -179.2 | -70.3 | -176.6 | -179.9 | 168.7 | 0 | 112.8 | V663 | K661-V663 PolarHBondContact O-N 3.02Š| ||
| 662 | D | 28.2 | Very low | 32 | Very low | 165 Ų | 165 | 113.1 Ų | 113.1 | 88% | 0.882 | 66% | 0.66 | S | S | * | * | trans | -45.5 | 125.3 | 145.5 | -68.8 | -50.3 | 0 | 0 | 0 | 108.5 | E664 | D662-E664 PolarHBondContact O-N 2.86Š| ||
| 663 | V | 30.9 | Very low | 30.4 | Very low | 127 Ų | 127 | 116.8 Ų | 116.8 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | trans | -74.9 | 108 | -168 | 175.6 | 0 | 0 | 0 | 0 | 110 | K661 | K661-V663 PolarHBondContact O-N 3.02Š| ||
| 664 | E | 23.2 | Very low | 29.2 | Very low | 184 Ų | 184 | 122.9 Ų | 122.9 | 86% | 0.86 | 72% | 0.715 | S | S | * | * | trans | -117.9 | 116.6 | 150.1 | -89.6 | -169.6 | 166.3 | 0 | 0 | 110.4 | D662 | D662-E664 PolarHBondContact O-N 2.86Š| ||
| 665 | M | 24.2 | Very low | 28.5 | Very low | 143 Ų | 143 | 125.6 Ų | 125.6 | 70% | 0.704 | 73% | 0.726 | S | S | * | * | trans | 52.9 | 108.8 | 148.2 | -65.9 | -70.7 | -83.3 | 0 | 0 | 120 | S667 | M665-S667 WeakPolarHBondContact CE-OG 3.39Š| ||
| 666 | I | 23.7 | Very low | 27.9 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | trans | -126.1 | 109.1 | 134.4 | -61 | 179.3 | 0 | 0 | 0 | 107.6 | ||||
| 667 | S | 24.7 | Very low | 28 | Very low | 85 Ų | 85 | 128.2 Ų | 128.2 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | trans | -65.4 | 132.6 | 168 | -63.5 | 0 | 0 | 0 | 0 | 110.2 | M665 | M665-S667 WeakPolarHBondContact CE-OG 3.39Š| ||
| 668 | I | 24.4 | Very low | 27.7 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 82% | 0.821 | 76% | 0.759 | S | S | * | * | trans | -124.8 | 97.1 | 158.2 | -51.6 | 176.9 | 0 | 0 | 0 | 106.6 | ||||
| 669 | S | 23.6 | Very low | 27.6 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -94.9 | 122.4 | 160.1 | 43.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 670 | S | 27.2 | Very low | 27.6 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | 178.2 | 110.7 | 131.6 | 31.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 671 | G | 22.7 | Very low | 27.4 | Very low | 67 Ų | 67 | 132.9 Ų | 132.9 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | -124.5 | 115.7 | 134 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 672 | D | 32.3 | Very low | 27.4 | Very low | 162 Ų | 162 | 132.2 Ų | 132.2 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | -177 | 131.1 | 127.8 | -87 | -11.3 | 0 | 0 | 0 | 110.1 | |||||
| 673 | D | 28.6 | Very low | 27.3 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -65.9 | 145.3 | 179.2 | -56.3 | -60.3 | 0 | 0 | 0 | 112.2 | ||||
| 674 | N | 33.3 | Very low | 27.1 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | 160.8 | 118.9 | 119.8 | -85.5 | -43.4 | 0 | 0 | 0 | 111.8 | |||||
| 675 | D | 30.1 | Very low | 27.4 | Very low | 152 Ų | 152 | 130 Ų | 130 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | 34.5 | 111.5 | 128.4 | -63.3 | -26.8 | 0 | 0 | 0 | 119.5 | |||||
| 676 | G | 25.7 | Very low | 27.5 | Very low | 67 Ų | 67 | 128.7 Ų | 128.7 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | 68.1 | 105.6 | 117 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 677 | D | 31.1 | Very low | 27.5 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | -163.8 | 126.5 | 124.7 | -94.1 | -22.7 | 0 | 0 | 0 | 112.5 | |||||
| 678 | D | 29.7 | Very low | 27.4 | Very low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 69.9 | 122.9 | 140.3 | -97.2 | -11.5 | 0 | 0 | 0 | 125.9 | ||||
| 679 | L | 28.4 | Very low | 27.5 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | trans | 63.4 | 110.1 | 136.2 | -71.6 | 152.2 | 0 | 0 | 0 | 118 | ||||
| 680 | T | 31.5 | Very low | 27.4 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | -172 | 150.3 | 65.4 | 35 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 681 | C | 23.5 | Very low | 27.4 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 69% | 0.689 | 76% | 0.76 | S | S | * | * | trans | -54.8 | 148.3 | 166.6 | 53.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 682 | D | 28.6 | Very low | 27.4 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | -163.4 | 128.3 | 77 | -95.6 | -41.3 | 0 | 0 | 0 | 113.7 | |||||
| 683 | T | 25.8 | Very low | 27.1 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | 50.5 | 109.3 | 122.7 | -29.3 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 684 | Q | 27.5 | Very low | 27.2 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | 160.5 | 138.4 | 104.4 | -82.8 | -166.9 | 11.7 | 0 | 0 | 114.1 | |||||
| 685 | I | 27.9 | Very low | 26.7 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | 92.7 | 103.3 | 154.5 | -34.7 | -161.1 | 0 | 0 | 0 | 119.7 | ||||
| 686 | T | 26.5 | Very low | 26.6 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | trans | -63 | 137.9 | 162 | 45.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 687 | N | 24.1 | Very low | 26.5 | Very low | 141 Ų | 141 | 147 Ų | 147 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | 56.5 | 127.4 | 127.5 | -80.5 | -11.1 | 0 | 0 | 0 | 123.9 | |||||
| 688 | I | 23.1 | Very low | 26.3 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 67% | 0.672 | 78% | 0.783 | S | S | * | * | trans | 77 | 116.5 | 133.3 | -59.5 | 162.9 | 0 | 0 | 0 | 117.2 | ||||
| 689 | F | 25.4 | Very low | 26.1 | Very low | 207 Ų | 207 | 145.4 Ų | 145.4 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | -158.1 | 122.8 | 126.2 | -116.3 | -80.9 | 0 | 0 | 0 | 111.9 | |||||
| 690 | T | 22.9 | Very low | 26.1 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -84 | 136 | 159.5 | 41.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 691 | G | 25.9 | Very low | 25.7 | Very low | 79 Ų | 79 | 149.2 Ų | 149.2 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | -116.6 | 117.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 692 | S | 23.8 | Very low | 26 | Very low | 113 Ų | 113 | 150 Ų | 150 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -118.6 | 146.7 | 163.1 | -77.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 693 | T | 25.8 | Very low | 25.7 | Very low | 137 Ų | 137 | 151.5 Ų | 151.5 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | 167.6 | 142.3 | 145 | 46.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 694 | K | 29.8 | Very low | 25.8 | Very low | 186 Ų | 186 | 155.6 Ų | 155.6 | 81% | 0.809 | 81% | 0.813 | S | S | * | * | cis | -154.4 | 131.1 | 35.7 | -76.6 | -179 | 173.9 | 162.8 | 0 | 110.6 | ||||
| 695 | R | 24.4 | Very low | 25.6 | Very low | 240 Ų | 240 | 158.1 Ų | 158.1 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | 54.3 | 121.9 | 108.1 | -71 | -177.2 | 173.4 | 171.4 | -0.7 | 119 | |||||
| 696 | K | 26.7 | Very low | 25.4 | Very low | 212 Ų | 212 | 156.2 Ų | 156.2 | 92% | 0.922 | 82% | 0.82 | S | S | * | * | -166.8 | 136.6 | 101.8 | -116.2 | 178.7 | 179.3 | 177.9 | 0 | 113.3 | |||||
| 697 | H | 23.3 | Very low | 25.2 | Very low | 169 Ų | 169 | 160.9 Ų | 160.9 | 78% | 0.782 | 83% | 0.83 | S | S | * | * | trans | -76.4 | 154.8 | 170.9 | -99.4 | -95.6 | 0 | 0 | 0 | 112.1 | ||||
| 698 | I | 28.5 | Very low | 25.1 | Very low | 171 Ų | 171 | 163.9 Ų | 163.9 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | -158.6 | 129.5 | 123.5 | -88.4 | 147.7 | 0 | 0 | 0 | 107.8 | |||||
| 699 | S | 24.2 | Very low | 25.1 | Very low | 89 Ų | 89 | 160.8 Ų | 160.8 | 62% | 0.622 | 84% | 0.837 | S | S | * | * | trans | -87.8 | 147.3 | 172.9 | 47.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 700 | N | 28.2 | Very low | 25 | Very low | 163 Ų | 163 | 161.7 Ų | 161.7 | 87% | 0.872 | 83% | 0.834 | S | S | * | * | trans | -158.3 | 134.5 | 136 | -103.3 | -8.8 | 0 | 0 | 0 | 111.8 | ||||
| 701 | E | 23.8 | Very low | 24.9 | Very low | 183 Ų | 183 | 162.8 Ų | 162.8 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | trans | -68.4 | 144.3 | -179.6 | -64.1 | 171.9 | 128.2 | 0 | 0 | 112.3 | ||||
| 702 | S | 29.2 | Very low | 24.8 | Very low | 117 Ų | 117 | 165.5 Ų | 165.5 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -155.6 | 116.2 | 137.3 | 43.8 | 0 | 0 | 0 | 0 | 110.3 | K704 | S702-K704 PolarHBondContact O-N 2.71Å; S702-K704 VanDerWaalsContact O-N 3.14Å | ||
| 703 | N | 23.5 | Very low | 24.7 | Very low | 169 Ų | 169 | 167.6 Ų | 167.6 | 90% | 0.904 | 83% | 0.829 | S | S | * | * | trans | -60.4 | 105.1 | 173 | -92.2 | -41.4 | 0 | 0 | 0 | 110.8 | ||||
| 704 | K | 27.9 | Very low | 24.6 | Very low | 195 Ų | 195 | 166.3 Ų | 166.3 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | -126.2 | 112.4 | 154.4 | -89.8 | -177.5 | 178.6 | 174.3 | 0 | 109.4 | S702 C706 | S702-K704 PolarHBondContact O-N 2.71Å; S702-K704 VanDerWaalsContact O-N 3.14Å; K704-C706 PolarHBondContact O-N 2.84Å | ||
| 705 | K | 23.3 | Very low | 24.2 | Very low | 221 Ų | 221 | 161.8 Ų | 161.8 | 96% | 0.961 | 82% | 0.818 | S | S | * | * | trans | -48.6 | 102.1 | 169 | -73.9 | 174.9 | 175.1 | 174.5 | 0 | 109.6 | ||||
| 706 | C | 22.7 | Very low | 24.2 | Very low | 112 Ų | 112 | 155 Ų | 155 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | trans | -132.4 | 121.7 | 165.1 | -131.4 | 0 | 0 | 0 | 0 | 107.5 | K704 K708 | K704-C706 PolarHBondContact O-N 2.84Å; C706-K708 PolarHBondContact O-N 3.06Å | ||
| 707 | K | 22.7 | Very low | 24 | Very low | 216 Ų | 216 | 151 Ų | 151 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | trans | -53.6 | 97.7 | 173 | -76.5 | 171.7 | 171.1 | 174.4 | 0 | 108.8 | ||||
| 708 | K | 22.2 | Very low | 24.1 | Very low | 203 Ų | 203 | 148.5 Ų | 148.5 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -90 | 117.7 | 168.2 | -92.6 | -174.7 | 175 | -179.1 | 0 | 108.8 | C706 | C706-K708 PolarHBondContact O-N 3.06Š| ||
| 709 | G | 23.2 | Very low | 24 | Very low | 66 Ų | 66 | 150.5 Ų | 150.5 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | -54.1 | 140.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I711 | G709-I711 PolarHBondContact O-N 2.8Š| ||
| 710 | R | 22.5 | Very low | 24.2 | Very low | 227 Ų | 227 | 150.8 Ų | 150.8 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -56 | 100.5 | 171.4 | -162.1 | 175.5 | -171 | 168.4 | 0.2 | 108.1 | M712 | R710-M712 HydrophobicContact CG-CG 4.13Å; R710-M712 PolarHBondContact O-N 3.39Å | ||
| 711 | I | 21.9 | Very low | 24.4 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -73.9 | 105.3 | 158.6 | -65.3 | 174.3 | 0 | 0 | 0 | 103.9 | G709 D713 | G709-I711 PolarHBondContact O-N 2.8Å; I711-D713 PolarHBondContact O-N 2.94Å | ||
| 712 | M | 23.5 | Very low | 25.1 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | trans | -76.1 | 107.8 | 168.7 | -68.1 | -179.2 | 75.3 | 0 | 0 | 106.3 | R710 V714 | R710-M712 HydrophobicContact CG-CG 4.13Å; R710-M712 PolarHBondContact O-N 3.39Å; M712-V714 VanDerWaalsContact C-N 3.34Å; M712-V714 HydrophobicContact CB-CG2 4.34Å; M712-V714 PolarHBondContact O-N 2.99Å | ||
| 713 | D | 20.9 | Very low | 26.1 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | -60.5 | 102.6 | 155.4 | -77.6 | -35.6 | 0 | 0 | 0 | 106.7 | I711 A715 | I711-D713 PolarHBondContact O-N 2.94Å; D713-A715 PolarHBondContact O-N 3.35Å | ||
| 714 | V | 24 | Very low | 28.1 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 66% | 0.661 | 74% | 0.735 | S | S | * | * | trans | -88.2 | 91.8 | 168.4 | -170.2 | 0 | 0 | 0 | 0 | 106.4 | M712 V716 | M712-V714 VanDerWaalsContact C-N 3.34Å; M712-V714 HydrophobicContact CB-CG2 4.34Å; M712-V714 PolarHBondContact O-N 2.99Å; V714-V716 HydrophobicContact CB-CG2 4.44Å; V714-V716 HydrophobicContact CG1-CG2 3.31Å; V714-V716 PolarHBondContact O-N 3.32Å | ||
| 715 | A | 22.4 | Very low | 30.7 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 76% | 0.76 | 70% | 0.698 | S | S | * | * | trans | -69.9 | 98.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | D713 T717 | D713-A715 PolarHBondContact O-N 3.35Å; A715-T717 PolarHBondContact O-N 2.92Å | ||
| 716 | V | 23.3 | Very low | 33.9 | Very low | 98 Ų | 98 | 120.7 Ų | 120.7 | 59% | 0.594 | 66% | 0.661 | S | S | * | * | trans | -86 | 94.5 | 166.4 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | V714 D718 | V714-V716 HydrophobicContact CB-CG2 4.44Å; V714-V716 HydrophobicContact CG1-CG2 3.31Å; V714-V716 PolarHBondContact O-N 3.32Å; V716-D718 HydrophobicContact CG1-CB 4.24Å | ||
| 717 | T | 23.3 | Very low | 37.2 | Very low | 128 Ų | 128 | 115.8 Ų | 115.8 | 79% | 0.785 | 63% | 0.628 | S | S | * | * | trans | -87.1 | 95.1 | 148.9 | 42.4 | 0 | 0 | 0 | 0 | 106.9 | A715 | A715-T717 PolarHBondContact O-N 2.92Š| ||
| 718 | D | 24.8 | Very low | 40.7 | Very low | 116 Ų | 116 | 105.6 Ų | 105.6 | 62% | 0.62 | 58% | 0.584 | S | S | * | * | trans | -152.2 | 111.9 | 158 | -102.2 | -22.8 | 0 | 0 | 0 | 109 | V716 S720 | V716-D718 HydrophobicContact CG1-CB 4.24Å; D718-S720 PolarHBondContact O-N 3.44Å; D718-S720 VanDerWaalsContact O-N 3.13Å | ||
| 719 | Q | 25.8 | Very low | 44.1 | Very low | 212 Ų | 212 | 96.1 Ų | 96.1 | 99% | 0.991 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 34.7 | 178.4 | -77.5 | 178.7 | -20.1 | 0 | 0 | 112.5 | ||
| 720 | S | 29.3 | Very low | 47.4 | Very low | 95 Ų | 95 | 93.5 Ų | 93.5 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129 | 5.2 | 176.8 | 56.8 | 0 | 0 | 0 | 0 | 114.8 | D718 V722 | D718-S720 PolarHBondContact O-N 3.44Å; D718-S720 VanDerWaalsContact O-N 3.13Å; S720-V722 PolarHBondContact O-N 3.12Å |
| 721 | D | 32.2 | Very low | 50.8 | Low | 107 Ų | 107 | 83.3 Ų | 83.3 | 57% | 0.572 | 48% | 0.476 | S | S | * | . | trans | -100.1 | 40.8 | -172.1 | -111.7 | 0.3 | 0 | 0 | 0 | 114 | N723 | D721-N723 PolarHBondContact O-N 3.23Š| ||
| 722 | V | 39.7 | Very low | 54.2 | Low | 120 Ų | 120 | 77.1 Ų | 77.1 | 73% | 0.727 | 45% | 0.447 | S | S | * | . | trans | -75.9 | 78.1 | 159.1 | -169.7 | 0 | 0 | 0 | 0 | 106.6 | S720 C724 | S720-V722 PolarHBondContact O-N 3.12Å; V722-C724 PolarHBondContact O-N 3.19Å | ||
| 723 | N | 49.9 | Very low | 57.6 | Low | 63 Ų | 63 | 70.9 Ų | 70.9 | 34% | 0.337 | 42% | 0.417 | S | S | . | . | trans | -67.6 | 74 | 173.9 | -122.6 | -35.6 | 0 | 0 | 0 | 108.2 | S653 D721 | S653-N723 PolarHBondContact OG-O 3.44Å; D721-N723 PolarHBondContact O-N 3.23Å | ||
| 724 | C | 65.4 | Low | 61.2 | Low | 77 Ų | 77 | 63.8 Ų | 63.8 | 52% | 0.52 | 38% | 0.378 | S | S | . | . | trans | -64.7 | 133.3 | -177.3 | -169.6 | 0 | 0 | 0 | 0 | 108.4 | V722 N726 | V722-C724 PolarHBondContact O-N 3.19Å; C724-N726 PolarHBondContact O-N 3.22Å | ||
| 725 | F | 82.2 | Confident | 64.6 | Low | 13 Ų | 13 | 59.8 Ų | 59.8 | 6% | 0.057 | 36% | 0.355 | C | S | . | . | trans | -48.1 | 126.9 | 174.4 | 170.6 | -107.6 | 0 | 0 | 0 | 110.8 | V648 P650 S653 L657 P727 Q730 | V648-F725 WeakPolarHBondContact O-CE2 3.41Å; P650-F725 HydrophobicContact CB-CD1 3.91Å; P650-F725 HydrophobicContact CB-CD2 3.94Å; P650-F725 HydrophobicContact CB-CE1 3.79Å; P650-F725 HydrophobicContact CB-CE2 3.84Å; P650-F725 HydrophobicContact CB-CG 3.96Å; P650-F725 HydrophobicContact CB-CZ 3.76Å; P650-F725 HydrophobicContact CG-CE1 4.22Å; P650-F725 HydrophobicContact CG-CE2 4.31Å; P650-F725 HydrophobicContact CG-CZ 3.96Å; S653-F725 PolarHBondContact OG-N 3.07Å; L657-F725 HydrophobicContact CD1-CD1 3.66Å; L657-F725 HydrophobicContact CD1-CE1 3.85Å; F725-P727 HydrophobicContact CD1-CG 4.14Å; F725-P727 HydrophobicContact CE1-CB 4.09Å; F725-P727 HydrophobicContact CE1-CG 3.98Å; F725-P727 WeakPolarHBondContact O-CD 3.45Å; F725-Q730 HydrophobicContact CE2-CG 4.18Å; F725-Q730 HydrophobicContact CZ-CG 3.85Å | ||
| 726 | N | 91 | Very high | 68 | Low | 36 Ų | 36 | 60 Ų | 60 | 19% | 0.193 | 34% | 0.343 | C | S | . | . | trans | -92 | 112.4 | 171.6 | -174.9 | -15.5 | 0 | 0 | 0 | 109.4 | C724 L728 D729 Y738 | C724-N726 PolarHBondContact O-N 3.22Å; N726-L728 PolarHBondContact O-N 2.86Å; N726-L728 VanDerWaalsContact O-N 3.12Å; N726-L728 WeakPolarHBondContact OD1-CB 3.28Å; N726-L728 PolarHBondContact OD1-N 3.42Å; N726-D729 WeakPolarHBondContact O-CB 3.47Å; N726-D729 PolarHBondContact O-N 3.17Å; N726-Y738 WeakPolarHBondContact ND2-CD2 3.38Å; N726-Y738 VanDerWaalsContact ND2-CE2 3.31Å; N726-Y738 WeakPolarHBondContact ND2-CE2 3.44Å | ||
| 727 | P | 92.3 | Very high | 71.5 | Confident | 10 Ų | 10 | 56 Ų | 56 | 7% | 0.065 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -58.4 | -26.6 | 179.6 | -27.5 | 38.6 | 0 | 0 | 0 | 114.4 | F725 D729 Q730 L752 V755 L801 | F725-P727 HydrophobicContact CD1-CG 4.14Å; F725-P727 HydrophobicContact CE1-CB 4.09Å; F725-P727 HydrophobicContact CE1-CG 3.98Å; F725-P727 WeakPolarHBondContact O-CD 3.45Å; P727-D729 PolarHBondContact O-N 3.43Å; P727-Q730 PolarHBondContact O-N 3.45Å; P727-Q730 VanDerWaalsContact O-N 3.11Å; P727-L752 WeakPolarHBondContact CG-O 3.5Å; P727-V755 HydrophobicContact CB-CB 3.71Å; P727-V755 HydrophobicContact CB-CG1 3.96Å; P727-L801 HydrophobicContact CB-CD2 4.23Å |
| 728 | L | 95 | Very high | 75 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -65.8 | -22.3 | 176.8 | -63 | 176.3 | 0 | 0 | 0 | 112.5 | R625 N726 Q730 T731 V733 Y738 A741 L752 V755 L797 | R625-L728 PolarHBondContact NH1-O 3.31Å; N726-L728 PolarHBondContact O-N 2.86Å; N726-L728 VanDerWaalsContact O-N 3.12Å; N726-L728 WeakPolarHBondContact OD1-CB 3.28Å; N726-L728 PolarHBondContact OD1-N 3.42Å; L728-Q730 PolarHBondContact O-N 3.18Å; L728-Q730 VanDerWaalsContact O-N 3.16Å; L728-T731 HydrophobicContact CD2-CG2 4.43Å; L728-T731 PolarHBondContact O-N 2.69Å; L728-T731 PolarHBondContact O-OG1 3.24Å; L728-V733 HydrophobicContact CD2-CG2 4.41Å; L728-Y738 HydrophobicContact CB-CD1 4.21Å; L728-Y738 HydrophobicContact CB-CE1 3.75Å; L728-Y738 HydrophobicContact CD1-CD1 3.83Å; L728-Y738 HydrophobicContact CD1-CE1 4.25Å; L728-Y738 HydrophobicContact CD1-CG 4.09Å; L728-A741 HydrophobicContact CD1-CB 3.94Å; L728-L752 HydrophobicContact CD1-CD1 3.8Å; L728-L752 HydrophobicContact CG-CD1 3.87Å; L728-V755 HydrophobicContact CD2-CG1 4.37Å; L728-V755 HydrophobicContact CD2-CG2 4.35Å; L728-L797 HydrophobicContact CD2-CD2 4.45Å |
| 729 | D | 94.6 | Very high | 78.3 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -66.2 | -13 | 174.5 | -73.8 | -0.5 | 0 | 0 | 0 | 112.6 | S624 R625 R647 V648 N726 P727 Y738 | S624-D729 WeakPolarHBondContact CA-OD2 3.29Å; S624-D729 WeakPolarHBondContact CB-OD2 3.04Å; R625-D729 WeakPolarHBondContact CD-OD1 3.43Å; R625-D729 HydrophobicContact CG-CB 4.18Å; R625-D729 PolarHBondContact N-OD2 3.47Å; R625-D729 PolarHBondContact NH2-O 2.76Å; R647-D729 VanDerWaalsContact CA-O 3.28Å; R647-D729 WeakPolarHBondContact CA-O 3.25Å; V648-D729 HydrophobicContact CB-CB 4.46Å; V648-D729 PolarHBondContact N-O 3.14Å; N726-D729 WeakPolarHBondContact O-CB 3.47Å; N726-D729 PolarHBondContact O-N 3.17Å; P727-D729 PolarHBondContact O-N 3.43Å; D729-Y738 PolarHBondContact OD1-OH 3.14Å |
| 730 | Q | 91.8 | Very high | 81.6 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -99.2 | 3.5 | 171 | -72.4 | -159.5 | -57.3 | 0 | 0 | 114.3 | V648 P650 F725 P727 L728 L801 | V648-Q730 WeakPolarHBondContact O-CG 3.31Å; P650-Q730 VanDerWaalsContact CD-NE2 3.31Å; P650-Q730 VanDerWaalsContact CD-OE1 3.28Å; F725-Q730 HydrophobicContact CE2-CG 4.18Å; F725-Q730 HydrophobicContact CZ-CG 3.85Å; P727-Q730 PolarHBondContact O-N 3.45Å; P727-Q730 VanDerWaalsContact O-N 3.11Å; L728-Q730 PolarHBondContact O-N 3.18Å; L728-Q730 VanDerWaalsContact O-N 3.16Å; Q730-L801 HydrophobicContact CB-CB 4.39Å; Q730-L801 HydrophobicContact CB-CD2 4.18Å |
| 731 | T | 93.1 | Very high | 84.9 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -108 | 172.1 | 178.9 | 75.3 | 0 | 0 | 0 | 0 | 111.1 | R625 L728 V733 V755 | R625-T731 PolarHBondContact NH2-O 3.14Å; L728-T731 HydrophobicContact CD2-CG2 4.43Å; L728-T731 PolarHBondContact O-N 2.69Å; L728-T731 PolarHBondContact O-OG1 3.24Å; T731-V733 PolarHBondContact O-N 3.03Å; T731-V733 WeakPolarHBondContact OG1-CB 3.3Å; T731-V733 WeakPolarHBondContact OG1-CG2 3.39Å; T731-V733 PolarHBondContact OG1-N 2.93Å; T731-V755 HydrophobicContact CG2-CG1 4.1Å |
| 732 | A | 92.9 | Very high | 87.9 | Confident | 21 Ų | 21 | 37.2 Ų | 37.2 | 17% | 0.174 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -75.6 | -6.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y45 H734 | Y45-A732 WeakPolarHBondContact CE1-O 3.37Å; Y45-A732 PolarHBondContact OH-O 2.91Å; A732-H734 PolarHBondContact O-N 3.24Å |
| 733 | V | 96 | Very high | 90.6 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | trans | -63.3 | 129.2 | -177.4 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | R625 L728 T731 Y738 A741 I793 A796 | R625-V733 PolarHBondContact NH1-O 3.47Å; L728-V733 HydrophobicContact CD2-CG2 4.41Å; T731-V733 PolarHBondContact O-N 3.03Å; T731-V733 WeakPolarHBondContact OG1-CB 3.3Å; T731-V733 WeakPolarHBondContact OG1-CG2 3.39Å; T731-V733 PolarHBondContact OG1-N 2.93Å; V733-Y738 HydrophobicContact CB-CE1 4.5Å; V733-Y738 HydrophobicContact CG1-CD1 3.96Å; V733-Y738 HydrophobicContact CG1-CE1 4.12Å; V733-A741 HydrophobicContact CG1-CB 4.11Å; V733-I793 HydrophobicContact CG1-CG1 4.22Å; V733-I793 HydrophobicContact CG2-CB 4.48Å; V733-I793 HydrophobicContact CG2-CG1 4.24Å; V733-I793 HydrophobicContact CG2-CG2 4.24Å; V733-A796 HydrophobicContact CG2-CB 3.66Å | ||
| 734 | H | 96.5 | Very high | 92.8 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 3% | 0.032 | 18% | 0.18 | C | C | . | . | trans | -76.3 | 143.7 | 178.4 | -167.9 | -91.5 | 0 | 0 | 0 | 111 | F41 Y45 A640 A732 D736 S737 Y738 | F41-H734 AromaticContact CE2-NE2 3.85Å; Y45-H734 HydrophobicContact CD1-CB 3.81Å; Y45-H734 HydrophobicContact CE1-CB 3.71Å; Y45-H734 HydrophobicContact CG-CB 4.4Å; A640-H734 PolarHBondContact O-NE2 2.89Å; A732-H734 PolarHBondContact O-N 3.24Å; H734-D736 IonicContact CE1-OD1 3.03Å; H734-D736 PolarHBondContact CE1-OD1 2.74Å; H734-D736 IonicContact CE1-OD2 3.45Å; H734-D736 PolarHBondContact CE1-OD2 2.69Å; H734-D736 VanDerWaalsContact ND1-CB 3.34Å; H734-D736 WeakPolarHBondContact ND1-CB 3.32Å; H734-D736 PolarHBondContact ND1-N 2.92Å; H734-D736 VanDerWaalsContact ND1-N 3.14Å; H734-D736 IonicContact ND1-OD1 2.69Å; H734-D736 IonicContact ND1-OD2 3.39Å; H734-D736 PolarHBondContact O-N 3.44Å; H734-S737 PolarHBondContact O-N 2.84Å; H734-Y738 WeakPolarHBondContact O-CD1 3.42Å | ||
| 735 | P | 95.9 | Very high | 94.3 | Very high | 26 Ų | 26 | 28.6 Ų | 28.6 | 17% | 0.169 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -52 | -37.4 | 176.6 | -31.1 | 37.8 | 0 | 0 | 0 | 115.2 | F639 A643 S737 Y738 | F639-P735 HydrophobicContact CE1-CB 4.35Å; F639-P735 HydrophobicContact CE1-CG 4.44Å; F639-P735 HydrophobicContact CZ-CB 4.34Å; F639-P735 HydrophobicContact CZ-CG 4.09Å; A643-P735 HydrophobicContact CB-CG 3.78Å; P735-S737 PolarHBondContact O-N 2.92Å; P735-Y738 VanDerWaalsContact CA-CE1 3.49Å; P735-Y738 HydrophobicContact CB-CD2 4.48Å; P735-Y738 HydrophobicContact CB-CE1 4.41Å; P735-Y738 HydrophobicContact CB-CE2 4.2Å; P735-Y738 HydrophobicContact CG-CE1 4.35Å; P735-Y738 HydrophobicContact CG-CE2 4.38Å; P735-Y738 WeakPolarHBondContact O-CB 3.28Å; P735-Y738 PolarHBondContact O-N 3.31Å; P735-Y738 VanDerWaalsContact O-N 3.09Å |
| 736 | D | 94 | Very high | 95 | Very high | 95 Ų | 95 | 31.9 Ų | 31.9 | 51% | 0.508 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -58.8 | -14 | 175.2 | -61.2 | 1.4 | 0 | 0 | 0 | 113.7 | H734 | H734-D736 IonicContact CE1-OD1 3.03Å; H734-D736 PolarHBondContact CE1-OD1 2.74Å; H734-D736 IonicContact CE1-OD2 3.45Å; H734-D736 PolarHBondContact CE1-OD2 2.69Å; H734-D736 VanDerWaalsContact ND1-CB 3.34Å; H734-D736 WeakPolarHBondContact ND1-CB 3.32Å; H734-D736 PolarHBondContact ND1-N 2.92Å; H734-D736 VanDerWaalsContact ND1-N 3.14Å; H734-D736 IonicContact ND1-OD1 2.69Å; H734-D736 IonicContact ND1-OD2 3.39Å; H734-D736 PolarHBondContact O-N 3.44Å |
| 737 | S | 95.7 | Very high | 95.2 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 10% | 0.098 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -114.1 | 11.2 | -179.4 | -51.1 | 0 | 0 | 0 | 0 | 113.5 | H734 P735 E739 V740 A741 | H734-S737 PolarHBondContact O-N 2.84Å; P735-S737 PolarHBondContact O-N 2.92Å; S737-E739 PolarHBondContact O-N 3.31Å; S737-V740 PolarHBondContact O-N 3.45Å; S737-A741 WeakPolarHBondContact O-CB 3.49Å; S737-A741 PolarHBondContact O-N 2.85Å |
| 738 | Y | 96 | Very high | 95.3 | Very high | 42 Ų | 42 | 32.9 Ų | 32.9 | 17% | 0.165 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | -178.1 | -77.4 | 4.3 | 0 | 0 | 0 | 113.3 | R625 N726 L728 D729 V733 H734 P735 A741 A742 | R625-Y738 WeakPolarHBondContact CD-OH 3.47Å; R625-Y738 PolarHBondContact NH1-OH 3.05Å; N726-Y738 WeakPolarHBondContact ND2-CD2 3.38Å; N726-Y738 VanDerWaalsContact ND2-CE2 3.31Å; N726-Y738 WeakPolarHBondContact ND2-CE2 3.44Å; L728-Y738 HydrophobicContact CB-CD1 4.21Å; L728-Y738 HydrophobicContact CB-CE1 3.75Å; L728-Y738 HydrophobicContact CD1-CD1 3.83Å; L728-Y738 HydrophobicContact CD1-CE1 4.25Å; L728-Y738 HydrophobicContact CD1-CG 4.09Å; D729-Y738 PolarHBondContact OD1-OH 3.14Å; V733-Y738 HydrophobicContact CB-CE1 4.5Å; V733-Y738 HydrophobicContact CG1-CD1 3.96Å; V733-Y738 HydrophobicContact CG1-CE1 4.12Å; H734-Y738 WeakPolarHBondContact O-CD1 3.42Å; P735-Y738 VanDerWaalsContact CA-CE1 3.49Å; P735-Y738 HydrophobicContact CB-CD2 4.48Å; P735-Y738 HydrophobicContact CB-CE1 4.41Å; P735-Y738 HydrophobicContact CB-CE2 4.2Å; P735-Y738 HydrophobicContact CG-CE1 4.35Å; P735-Y738 HydrophobicContact CG-CE2 4.38Å; P735-Y738 WeakPolarHBondContact O-CB 3.28Å; P735-Y738 PolarHBondContact O-N 3.31Å; P735-Y738 VanDerWaalsContact O-N 3.09Å; Y738-A741 PolarHBondContact O-N 3.17Å; Y738-A742 PolarHBondContact O-N 3.12Å |
| 739 | E | 95.1 | Very high | 95.4 | Very high | 165 Ų | 165 | 41.1 Ų | 41.1 | 77% | 0.771 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61 | -47 | 176.4 | -72.7 | -170.5 | 156.3 | 0 | 0 | 111.7 | S737 A741 A742 N743 | S737-E739 PolarHBondContact O-N 3.31Å; E739-A741 VanDerWaalsContact C-N 3.33Å; E739-A741 PolarHBondContact O-N 3.21Å; E739-A742 WeakPolarHBondContact O-CB 3.25Å; E739-A742 PolarHBondContact O-N 2.91Å; E739-N743 VanDerWaalsContact O-CG 3.31Å; E739-N743 PolarHBondContact O-N 3.46Å; E739-N743 PolarHBondContact O-ND2 3.37Å |
| 740 | V | 95.9 | Very high | 95.4 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 13% | 0.127 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | 176.7 | 147.7 | 0 | 0 | 0 | 0 | 111.7 | S737 A742 N743 I744 V785 L790 I793 | S737-V740 PolarHBondContact O-N 3.45Å; V740-A742 VanDerWaalsContact C-N 3.34Å; V740-N743 PolarHBondContact O-N 3.12Å; V740-I744 HydrophobicContact CG1-CD1 4.11Å; V740-I744 WeakPolarHBondContact O-CG1 3.31Å; V740-I744 PolarHBondContact O-N 2.93Å; V740-V785 HydrophobicContact CG1-CG1 4.39Å; V740-L790 HydrophobicContact CG1-CD2 3.28Å; V740-I793 HydrophobicContact CG1-CD1 3.76Å |
| 741 | A | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L728 V733 S737 Y738 E739 N743 I744 I745 I793 | L728-A741 HydrophobicContact CD1-CB 3.94Å; V733-A741 HydrophobicContact CG1-CB 4.11Å; S737-A741 WeakPolarHBondContact O-CB 3.49Å; S737-A741 PolarHBondContact O-N 2.85Å; Y738-A741 PolarHBondContact O-N 3.17Å; E739-A741 VanDerWaalsContact C-N 3.33Å; E739-A741 PolarHBondContact O-N 3.21Å; A741-N743 VanDerWaalsContact C-N 3.33Å; A741-N743 PolarHBondContact O-N 3.28Å; A741-I744 PolarHBondContact O-N 3.43Å; A741-I745 WeakPolarHBondContact O-CD1 3.48Å; A741-I745 VanDerWaalsContact O-CG1 3.25Å; A741-I745 WeakPolarHBondContact O-CG1 3.32Å; A741-I745 PolarHBondContact O-N 2.93Å; A741-I793 HydrophobicContact CB-CG2 3.77Å |
| 742 | A | 96.5 | Very high | 95.5 | Very high | 37 Ų | 37 | 48.7 Ų | 48.7 | 31% | 0.306 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y738 E739 V740 I744 I745 S746 | Y738-A742 PolarHBondContact O-N 3.12Å; E739-A742 WeakPolarHBondContact O-CB 3.25Å; E739-A742 PolarHBondContact O-N 2.91Å; V740-A742 VanDerWaalsContact C-N 3.34Å; A742-I744 PolarHBondContact O-N 3.37Å; A742-I745 WeakPolarHBondContact O-CB 3.5Å; A742-I745 PolarHBondContact O-N 3.35Å; A742-S746 PolarHBondContact O-N 3.22Å; A742-S746 PolarHBondContact O-OG 3Å |
| 743 | N | 96.1 | Very high | 95.4 | Very high | 76 Ų | 76 | 52.5 Ų | 52.5 | 41% | 0.406 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 176.3 | -66 | -23.1 | 0 | 0 | 0 | 112.8 | E739 V740 A741 S746 L747 F780 | E739-N743 VanDerWaalsContact O-CG 3.31Å; E739-N743 PolarHBondContact O-N 3.46Å; E739-N743 PolarHBondContact O-ND2 3.37Å; V740-N743 PolarHBondContact O-N 3.12Å; A741-N743 VanDerWaalsContact C-N 3.33Å; A741-N743 PolarHBondContact O-N 3.28Å; N743-S746 PolarHBondContact O-N 3.45Å; N743-L747 PolarHBondContact O-N 3.44Å; N743-F780 HydrophobicContact CB-CD1 3.99Å; N743-F780 HydrophobicContact CB-CE1 3.68Å; N743-F780 HydrophobicContact CB-CZ 4.26Å |
| 744 | I | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 173.8 | -66.9 | 167.3 | 0 | 0 | 0 | 110.5 | V740 A741 A742 S746 L747 L748 L777 F780 L790 I793 L794 L797 | V740-I744 HydrophobicContact CG1-CD1 4.11Å; V740-I744 WeakPolarHBondContact O-CG1 3.31Å; V740-I744 PolarHBondContact O-N 2.93Å; A741-I744 PolarHBondContact O-N 3.43Å; A742-I744 PolarHBondContact O-N 3.37Å; I744-S746 VanDerWaalsContact C-N 3.32Å; I744-S746 PolarHBondContact O-N 2.83Å; I744-L747 WeakPolarHBondContact O-CB 3.47Å; I744-L747 PolarHBondContact O-N 3.39Å; I744-L747 VanDerWaalsContact O-N 3.15Å; I744-L748 WeakPolarHBondContact O-CG 3.24Å; I744-L748 PolarHBondContact O-N 3.46Å; I744-L777 HydrophobicContact CD1-CD2 4.18Å; I744-L777 HydrophobicContact CG1-CD2 4.19Å; I744-F780 HydrophobicContact CG1-CD2 4Å; I744-F780 HydrophobicContact CG1-CE2 4.12Å; I744-L790 HydrophobicContact CD1-CD2 3.95Å; I744-I793 HydrophobicContact CD1-CB 4.25Å; I744-I793 HydrophobicContact CD1-CG2 3.87Å; I744-L794 HydrophobicContact CG2-CD1 4.37Å; I744-L797 HydrophobicContact CG2-CD1 4.01Å |
| 745 | I | 96.9 | Very high | 95 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 176.3 | -72.5 | 163.5 | 0 | 0 | 0 | 110.8 | A741 A742 L747 L748 Q749 L750 L752 V755 M760 L797 | A741-I745 WeakPolarHBondContact O-CD1 3.48Å; A741-I745 VanDerWaalsContact O-CG1 3.25Å; A741-I745 WeakPolarHBondContact O-CG1 3.32Å; A741-I745 PolarHBondContact O-N 2.93Å; A742-I745 WeakPolarHBondContact O-CB 3.5Å; A742-I745 PolarHBondContact O-N 3.35Å; I745-L747 VanDerWaalsContact C-N 3.34Å; I745-L747 PolarHBondContact O-N 2.9Å; I745-L748 CarbonylContact O-C 3.32Å; I745-L748 WeakPolarHBondContact O-CA 3.37Å; I745-L748 WeakPolarHBondContact O-CB 3.4Å; I745-L748 PolarHBondContact O-N 3.16Å; I745-L748 VanDerWaalsContact O-N 3.1Å; I745-Q749 PolarHBondContact O-N 3.12Å; I745-L750 HydrophobicContact CG2-CB 4.21Å; I745-L750 WeakPolarHBondContact CG2-O 3.26Å; I745-L750 PolarHBondContact O-N 3.33Å; I745-L752 HydrophobicContact CD1-CD1 3.87Å; I745-V755 HydrophobicContact CD1-CG2 3.59Å; I745-V755 HydrophobicContact CG1-CG2 4.46Å; I745-M760 HydrophobicContact CB-CE 4.32Å; I745-M760 HydrophobicContact CD1-CE 4.49Å; I745-M760 HydrophobicContact CG1-CE 3.87Å; I745-M760 HydrophobicContact CG2-CE 3.77Å; I745-L797 HydrophobicContact CD1-CD2 4.04Å; I745-L797 HydrophobicContact CG1-CD1 3.87Å; I745-L797 HydrophobicContact CG1-CD2 4.04Å |
| 746 | S | 96.1 | Very high | 94.6 | Very high | 81 Ų | 81 | 52.5 Ų | 52.5 | 57% | 0.566 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.3 | -36.3 | 174.5 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | A742 N743 I744 L748 Q749 | A742-S746 PolarHBondContact O-N 3.22Å; A742-S746 PolarHBondContact O-OG 3Å; N743-S746 PolarHBondContact O-N 3.45Å; I744-S746 VanDerWaalsContact C-N 3.32Å; I744-S746 PolarHBondContact O-N 2.83Å; S746-L748 PolarHBondContact O-N 2.94Å; S746-Q749 WeakPolarHBondContact O-CA 3.47Å; S746-Q749 PolarHBondContact O-N 2.57Å |
| 747 | L | 95 | Very high | 94.3 | Very high | 46 Ų | 46 | 50 Ų | 50 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -31.1 | 172.6 | 179.2 | 64.8 | 0 | 0 | 0 | 112.2 | N743 I744 I745 Q749 F767 F780 | N743-L747 PolarHBondContact O-N 3.44Å; I744-L747 WeakPolarHBondContact O-CB 3.47Å; I744-L747 PolarHBondContact O-N 3.39Å; I744-L747 VanDerWaalsContact O-N 3.15Å; I745-L747 VanDerWaalsContact C-N 3.34Å; I745-L747 PolarHBondContact O-N 2.9Å; L747-Q749 PolarHBondContact O-N 3.42Å; L747-F767 HydrophobicContact CD2-CE2 3.67Å; L747-F767 HydrophobicContact CD2-CZ 3.73Å; L747-F767 HydrophobicContact CG-CE2 4.13Å; L747-F780 HydrophobicContact CB-CE2 4.43Å; L747-F780 HydrophobicContact CB-CZ 4.25Å; L747-F780 HydrophobicContact CD2-CE2 3.72Å; L747-F780 HydrophobicContact CD2-CZ 4.18Å |
| 748 | L | 95.5 | Very high | 94 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | 1.6 | 173 | -61 | 176.9 | 0 | 0 | 0 | 113.3 | I744 I745 S746 L750 M760 A764 F767 L797 | I744-L748 WeakPolarHBondContact O-CG 3.24Å; I744-L748 PolarHBondContact O-N 3.46Å; I745-L748 CarbonylContact O-C 3.32Å; I745-L748 WeakPolarHBondContact O-CA 3.37Å; I745-L748 WeakPolarHBondContact O-CB 3.4Å; I745-L748 PolarHBondContact O-N 3.16Å; I745-L748 VanDerWaalsContact O-N 3.1Å; S746-L748 PolarHBondContact O-N 2.94Å; L748-L750 VanDerWaalsContact C-N 3.31Å; L748-L750 HydrophobicContact CB-CD1 4.36Å; L748-L750 HydrophobicContact CB-CG 4.48Å; L748-L750 PolarHBondContact O-N 3.49Å; L748-M760 HydrophobicContact CD1-SD 4.03Å; L748-A764 HydrophobicContact CD1-CB 4.01Å; L748-F767 HydrophobicContact CD2-CB 3.6Å; L748-F767 HydrophobicContact CD2-CD2 3.47Å; L748-F767 VanDerWaalsContact CD2-CD2 3.47Å; L748-F767 HydrophobicContact CD2-CE2 4.27Å; L748-F767 HydrophobicContact CD2-CG 3.68Å; L748-L797 HydrophobicContact CD1-CD1 4.49Å |
| 749 | Q | 96.1 | Very high | 93.9 | Very high | 175 Ų | 175 | 59.5 Ų | 59.5 | 82% | 0.818 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 38.5 | -177 | -54 | 176.4 | -1.6 | 0 | 0 | 112.9 | I745 S746 L747 | I745-Q749 PolarHBondContact O-N 3.12Å; S746-Q749 WeakPolarHBondContact O-CA 3.47Å; S746-Q749 PolarHBondContact O-N 2.57Å; L747-Q749 PolarHBondContact O-N 3.42Å |
| 750 | L | 95.8 | Very high | 93.8 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | trans | -127.4 | 169.3 | 180 | -65.1 | 176.2 | 0 | 0 | 0 | 111 | I745 L748 D754 K759 M760 A763 | I745-L750 HydrophobicContact CG2-CB 4.21Å; I745-L750 WeakPolarHBondContact CG2-O 3.26Å; I745-L750 PolarHBondContact O-N 3.33Å; L748-L750 VanDerWaalsContact C-N 3.31Å; L748-L750 HydrophobicContact CB-CD1 4.36Å; L748-L750 HydrophobicContact CB-CG 4.48Å; L748-L750 PolarHBondContact O-N 3.49Å; L750-D754 HydrophobicContact CB-CB 4.32Å; L750-K759 HydrophobicContact CD2-CD 3.53Å; L750-K759 HydrophobicContact CD2-CG 3.84Å; L750-M760 HydrophobicContact CB-CE 3.67Å; L750-M760 VanDerWaalsContact CD1-CA 3.49Å; L750-M760 HydrophobicContact CD1-CB 4.05Å; L750-M760 HydrophobicContact CD1-CE 3.7Å; L750-M760 HydrophobicContact CD1-CG 4.47Å; L750-M760 HydrophobicContact CD1-SD 3.66Å; L750-M760 HydrophobicContact CG-CE 4.35Å; L750-A763 HydrophobicContact CD1-CB 3.86Å | ||
| 751 | N | 94.4 | Very high | 93.7 | Very high | 108 Ų | 108 | 53.8 Ų | 53.8 | 58% | 0.578 | 29% | 0.29 | S | S | * | . | trans | -106.4 | 162 | 178.2 | -65.6 | -56.4 | 0 | 0 | 0 | 111.7 | T753 D754 | N751-T753 PolarHBondContact O-N 3.02Å; N751-D754 PolarHBondContact N-OD2 3.08Å; N751-D754 VanDerWaalsContact O-CB 3.31Å; N751-D754 WeakPolarHBondContact O-CB 3.46Å; N751-D754 PolarHBondContact O-N 3.19Å | ||
| 752 | L | 92.8 | Very high | 93.7 | Very high | 68 Ų | 68 | 57.1 Ų | 57.1 | 36% | 0.356 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -58.1 | -33.2 | 177.7 | -171.4 | 66.7 | 0 | 0 | 0 | 112.4 | P727 L728 I745 D754 V755 | P727-L752 WeakPolarHBondContact CG-O 3.5Å; L728-L752 HydrophobicContact CD1-CD1 3.8Å; L728-L752 HydrophobicContact CG-CD1 3.87Å; I745-L752 HydrophobicContact CD1-CD1 3.87Å; L752-D754 PolarHBondContact O-N 3.44Å; L752-V755 HydrophobicContact CD1-CG2 4.33Å; L752-V755 WeakPolarHBondContact O-CB 3.19Å; L752-V755 WeakPolarHBondContact O-CG2 3.37Å; L752-V755 PolarHBondContact O-N 2.99Å |
| 753 | T | 90.3 | Very high | 93.7 | Very high | 102 Ų | 102 | 56.6 Ų | 56.6 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -67.4 | -19.2 | 176.4 | 52 | 0 | 0 | 0 | 0 | 113.5 | N751 V755 | N751-T753 PolarHBondContact O-N 3.02Å; T753-V755 VanDerWaalsContact C-N 3.26Å; T753-V755 PolarHBondContact O-N 2.66Å |
| 754 | D | 91.2 | Very high | 93.6 | Very high | 15 Ų | 15 | 53 Ų | 53 | 8% | 0.08 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -79.2 | -9.6 | 178.5 | -62.5 | -42.1 | 0 | 0 | 0 | 112.2 | L750 N751 L752 G756 S757 M760 | L750-D754 HydrophobicContact CB-CB 4.32Å; N751-D754 PolarHBondContact N-OD2 3.08Å; N751-D754 VanDerWaalsContact O-CB 3.31Å; N751-D754 WeakPolarHBondContact O-CB 3.46Å; N751-D754 PolarHBondContact O-N 3.19Å; L752-D754 PolarHBondContact O-N 3.44Å; D754-G756 PolarHBondContact O-N 2.81Å; D754-S757 WeakPolarHBondContact O-CB 3.45Å; D754-S757 PolarHBondContact O-N 3.09Å; D754-S757 PolarHBondContact O-OG 2.71Å; D754-M760 HydrophobicContact CB-CB 4.42Å; D754-M760 HydrophobicContact CB-CE 4.05Å; D754-M760 WeakPolarHBondContact O-CB 3.25Å |
| 755 | V | 92 | Very high | 93.6 | Very high | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 126.6 | -178 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | P727 L728 T731 I745 L752 T753 S757 M760 L797 L801 | P727-V755 HydrophobicContact CB-CB 3.71Å; P727-V755 HydrophobicContact CB-CG1 3.96Å; L728-V755 HydrophobicContact CD2-CG1 4.37Å; L728-V755 HydrophobicContact CD2-CG2 4.35Å; T731-V755 HydrophobicContact CG2-CG1 4.1Å; I745-V755 HydrophobicContact CD1-CG2 3.59Å; I745-V755 HydrophobicContact CG1-CG2 4.46Å; L752-V755 HydrophobicContact CD1-CG2 4.33Å; L752-V755 WeakPolarHBondContact O-CB 3.19Å; L752-V755 WeakPolarHBondContact O-CG2 3.37Å; L752-V755 PolarHBondContact O-N 2.99Å; T753-V755 VanDerWaalsContact C-N 3.26Å; T753-V755 PolarHBondContact O-N 2.66Å; V755-S757 VanDerWaalsContact C-N 3.27Å; V755-S757 PolarHBondContact O-N 3.33Å; V755-M760 HydrophobicContact CG2-CE 4.15Å; V755-L797 HydrophobicContact CG1-CD2 4.29Å; V755-L797 HydrophobicContact CG2-CD2 4Å; V755-L801 HydrophobicContact CG1-CD2 3.99Å |
| 756 | G | 87.1 | Confident | 93.5 | Very high | 16 Ų | 16 | 62.4 Ų | 62.4 | 17% | 0.165 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | -8.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | D754 | D754-G756 PolarHBondContact O-N 2.81Š|
| 757 | S | 89.5 | Confident | 93.5 | Very high | 42 Ų | 42 | 59 Ų | 59 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -65.8 | 158.4 | 170.7 | 74.1 | 0 | 0 | 0 | 0 | 111.6 | D754 V755 K759 M760 R761 | D754-S757 WeakPolarHBondContact O-CB 3.45Å; D754-S757 PolarHBondContact O-N 3.09Å; D754-S757 PolarHBondContact O-OG 2.71Å; V755-S757 VanDerWaalsContact C-N 3.27Å; V755-S757 PolarHBondContact O-N 3.33Å; S757-K759 PolarHBondContact O-N 3.33Å; S757-K759 PolarHBondContact OG-N 3.42Å; S757-M760 PolarHBondContact O-N 2.96Å; S757-M760 PolarHBondContact OG-N 3.21Å; S757-M760 VanDerWaalsContact OG-N 3.14Å; S757-R761 WeakPolarHBondContact O-CG 3.41Å; S757-R761 PolarHBondContact O-N 3.41Å |
| 758 | M | 89.1 | Confident | 93.4 | Very high | 126 Ų | 126 | 59 Ų | 59 | 62% | 0.621 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.9 | -36.9 | 174.2 | -167.5 | 64 | -173.7 | 0 | 0 | 111.9 | R761 T762 | M758-R761 PolarHBondContact O-N 3.06Å; M758-R761 PolarHBondContact SD-NH2 2.98Å; M758-T762 WeakPolarHBondContact O-CB 3.35Å; M758-T762 PolarHBondContact O-N 3.22Å; M758-T762 PolarHBondContact O-OG1 3.04Å |
| 759 | K | 93.3 | Very high | 93.3 | Very high | 131 Ų | 131 | 64.2 Ų | 64.2 | 57% | 0.57 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.1 | -49.5 | 177.8 | -168.6 | -173.8 | -178.5 | -163.1 | 0 | 111.6 | L750 S757 A763 | L750-K759 HydrophobicContact CD2-CD 3.53Å; L750-K759 HydrophobicContact CD2-CG 3.84Å; S757-K759 PolarHBondContact O-N 3.33Å; S757-K759 PolarHBondContact OG-N 3.42Å; K759-A763 WeakPolarHBondContact O-CB 3.49Å; K759-A763 PolarHBondContact O-N 2.94Å |
| 760 | M | 93.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 175.9 | 177.6 | 66.2 | 69.4 | 0 | 0 | 112.1 | I745 L748 L750 D754 V755 S757 T762 A763 A764 L797 | I745-M760 HydrophobicContact CB-CE 4.32Å; I745-M760 HydrophobicContact CD1-CE 4.49Å; I745-M760 HydrophobicContact CG1-CE 3.87Å; I745-M760 HydrophobicContact CG2-CE 3.77Å; L748-M760 HydrophobicContact CD1-SD 4.03Å; L750-M760 HydrophobicContact CB-CE 3.67Å; L750-M760 VanDerWaalsContact CD1-CA 3.49Å; L750-M760 HydrophobicContact CD1-CB 4.05Å; L750-M760 HydrophobicContact CD1-CE 3.7Å; L750-M760 HydrophobicContact CD1-CG 4.47Å; L750-M760 HydrophobicContact CD1-SD 3.66Å; L750-M760 HydrophobicContact CG-CE 4.35Å; D754-M760 HydrophobicContact CB-CB 4.42Å; D754-M760 HydrophobicContact CB-CE 4.05Å; D754-M760 WeakPolarHBondContact O-CB 3.25Å; V755-M760 HydrophobicContact CG2-CE 4.15Å; S757-M760 PolarHBondContact O-N 2.96Å; S757-M760 PolarHBondContact OG-N 3.21Å; S757-M760 VanDerWaalsContact OG-N 3.14Å; M760-T762 VanDerWaalsContact C-N 3.32Å; M760-T762 PolarHBondContact O-N 3.15Å; M760-A763 PolarHBondContact O-N 3.4Å; M760-A764 VanDerWaalsContact O-CB 3.25Å; M760-A764 WeakPolarHBondContact O-CB 3.4Å; M760-A764 PolarHBondContact O-N 3.05Å; M760-L797 HydrophobicContact CG-CB 4.47Å; M760-L797 HydrophobicContact SD-CB 4.35Å; M760-L797 HydrophobicContact SD-CD2 4.39Å |
| 761 | R | 94.2 | Very high | 93.2 | Very high | 65 Ų | 65 | 66.5 Ų | 66.5 | 25% | 0.245 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | -176.8 | -66 | -170.8 | -54.7 | 157.3 | -1.2 | 111.9 | S757 M758 T765 T798 | S757-R761 WeakPolarHBondContact O-CG 3.41Å; S757-R761 PolarHBondContact O-N 3.41Å; M758-R761 PolarHBondContact O-N 3.06Å; M758-R761 PolarHBondContact SD-NH2 2.98Å; R761-T765 VanDerWaalsContact O-CB 3.22Å; R761-T765 WeakPolarHBondContact O-CB 3.27Å; R761-T765 PolarHBondContact O-N 3.38Å; R761-T765 PolarHBondContact O-OG1 3.29Å; R761-T798 WeakPolarHBondContact CD-O 3.22Å; R761-T798 WeakPolarHBondContact CG-O 3.41Å |
| 762 | T | 95 | Very high | 93.2 | Very high | 71 Ų | 71 | 64.9 Ų | 64.9 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.3 | -48.5 | 177.1 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | M758 M760 T765 Q766 | M758-T762 WeakPolarHBondContact O-CB 3.35Å; M758-T762 PolarHBondContact O-N 3.22Å; M758-T762 PolarHBondContact O-OG1 3.04Å; M760-T762 VanDerWaalsContact C-N 3.32Å; M760-T762 PolarHBondContact O-N 3.15Å; T762-T765 PolarHBondContact O-N 3.37Å; T762-Q766 WeakPolarHBondContact O-CB 3.37Å; T762-Q766 PolarHBondContact O-N 3.23Å |
| 763 | A | 96.5 | Very high | 93.2 | Very high | 25 Ų | 25 | 64.5 Ų | 64.5 | 21% | 0.207 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L750 K759 M760 T765 Q766 F767 | L750-A763 HydrophobicContact CD1-CB 3.86Å; K759-A763 WeakPolarHBondContact O-CB 3.49Å; K759-A763 PolarHBondContact O-N 2.94Å; M760-A763 PolarHBondContact O-N 3.4Å; A763-T765 VanDerWaalsContact C-N 3.35Å; A763-T765 PolarHBondContact O-N 3.39Å; A763-Q766 PolarHBondContact O-N 3.11Å; A763-F767 WeakPolarHBondContact O-CB 3.41Å; A763-F767 PolarHBondContact O-N 3.11Å |
| 764 | A | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L748 M760 F767 M768 L794 L797 T798 | L748-A764 HydrophobicContact CD1-CB 4.01Å; M760-A764 VanDerWaalsContact O-CB 3.25Å; M760-A764 WeakPolarHBondContact O-CB 3.4Å; M760-A764 PolarHBondContact O-N 3.05Å; A764-F767 PolarHBondContact O-N 3.14Å; A764-M768 WeakPolarHBondContact O-CB 3.36Å; A764-M768 PolarHBondContact O-N 3.31Å; A764-L794 HydrophobicContact CB-CD1 4.18Å; A764-L797 HydrophobicContact CB-CB 3.91Å; A764-T798 HydrophobicContact CB-CG2 3.71Å |
| 765 | T | 95.1 | Very high | 93.6 | Very high | 64 Ų | 64 | 68.6 Ų | 68.6 | 39% | 0.393 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 177.9 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | R761 T762 A763 F767 M768 I769 | R761-T765 VanDerWaalsContact O-CB 3.22Å; R761-T765 WeakPolarHBondContact O-CB 3.27Å; R761-T765 PolarHBondContact O-N 3.38Å; R761-T765 PolarHBondContact O-OG1 3.29Å; T762-T765 PolarHBondContact O-N 3.37Å; A763-T765 VanDerWaalsContact C-N 3.35Å; A763-T765 PolarHBondContact O-N 3.39Å; T765-F767 VanDerWaalsContact C-N 3.32Å; T765-F767 PolarHBondContact O-N 3.11Å; T765-M768 WeakPolarHBondContact O-CB 3.46Å; T765-M768 PolarHBondContact O-N 3.15Å; T765-M768 VanDerWaalsContact O-N 3.15Å; T765-I769 WeakPolarHBondContact O-CG1 3.41Å; T765-I769 PolarHBondContact O-N 3.31Å |
| 766 | Q | 95.6 | Very high | 93.8 | Very high | 137 Ų | 137 | 72.2 Ų | 72.2 | 64% | 0.64 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.9 | -39.1 | 175.9 | -171.8 | 174.3 | 8.1 | 0 | 0 | 111.8 | T762 A763 I769 S770 | T762-Q766 WeakPolarHBondContact O-CB 3.37Å; T762-Q766 PolarHBondContact O-N 3.23Å; A763-Q766 PolarHBondContact O-N 3.11Å; Q766-I769 VanDerWaalsContact O-CG1 3.23Å; Q766-I769 WeakPolarHBondContact O-CG1 3.35Å; Q766-S770 PolarHBondContact O-N 2.92Å |
| 767 | F | 95.7 | Very high | 94.1 | Very high | 9 Ų | 9 | 71.5 Ų | 71.5 | 4% | 0.039 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.4 | -36.4 | 173.4 | -170 | -77.8 | 0 | 0 | 0 | 112 | L747 L748 A763 A764 T765 I769 S770 R773 R776 L777 L794 | L747-F767 HydrophobicContact CD2-CE2 3.67Å; L747-F767 HydrophobicContact CD2-CZ 3.73Å; L747-F767 HydrophobicContact CG-CE2 4.13Å; L748-F767 HydrophobicContact CD2-CB 3.6Å; L748-F767 HydrophobicContact CD2-CD2 3.47Å; L748-F767 VanDerWaalsContact CD2-CD2 3.47Å; L748-F767 HydrophobicContact CD2-CE2 4.27Å; L748-F767 HydrophobicContact CD2-CG 3.68Å; A763-F767 WeakPolarHBondContact O-CB 3.41Å; A763-F767 PolarHBondContact O-N 3.11Å; A764-F767 PolarHBondContact O-N 3.14Å; T765-F767 VanDerWaalsContact C-N 3.32Å; T765-F767 PolarHBondContact O-N 3.11Å; F767-I769 VanDerWaalsContact C-N 3.29Å; F767-I769 PolarHBondContact O-N 3.21Å; F767-S770 PolarHBondContact O-N 3.02Å; F767-S770 PolarHBondContact O-OG 3.01Å; F767-R773 HydrophobicContact CD1-CG 3.89Å; F767-R773 HydrophobicContact CE1-CB 4.41Å; F767-R773 HydrophobicContact CE1-CG 3.68Å; F767-R776 HydrophobicContact CE2-CB 4.46Å; F767-R776 VanDerWaalsContact CE2-NH2 3.33Å; F767-R776 HydrophobicContact CZ-CB 3.91Å; F767-L777 HydrophobicContact CE1-CD1 4.41Å; F767-L777 HydrophobicContact CE1-CD2 3.96Å; F767-L777 HydrophobicContact CE1-CG 3.98Å; F767-L777 HydrophobicContact CZ-CD2 4.23Å; F767-L777 HydrophobicContact CZ-CG 4.38Å; F767-L794 HydrophobicContact CB-CD1 4.5Å; F767-L794 HydrophobicContact CD1-CD1 3.91Å; F767-L794 HydrophobicContact CD1-CD2 3.58Å; F767-L794 HydrophobicContact CD1-CG 4.41Å; F767-L794 HydrophobicContact CE1-CD2 4.12Å; F767-L794 HydrophobicContact CG-CD1 4.46Å |
| 768 | M | 92.8 | Very high | 94.4 | Very high | 46 Ų | 46 | 74.9 Ų | 74.9 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.2 | -32.2 | -178.6 | -168.5 | 177.6 | -68.1 | 0 | 0 | 113.7 | A764 T765 R773 L794 V795 T798 | A764-M768 WeakPolarHBondContact O-CB 3.36Å; A764-M768 PolarHBondContact O-N 3.31Å; T765-M768 WeakPolarHBondContact O-CB 3.46Å; T765-M768 PolarHBondContact O-N 3.15Å; T765-M768 VanDerWaalsContact O-N 3.15Å; M768-R773 WeakPolarHBondContact O-CD 3.32Å; M768-R773 PolarHBondContact O-NH1 2.9Å; M768-R773 VanDerWaalsContact O-NH1 3.08Å; M768-L794 HydrophobicContact CB-CD2 3.94Å; M768-L794 HydrophobicContact CE-CB 4.48Å; M768-L794 HydrophobicContact CE-CD2 4.31Å; M768-L794 HydrophobicContact CE-CG 3.97Å; M768-L794 HydrophobicContact CG-CD2 4.18Å; M768-V795 VanDerWaalsContact CE-CA 3.42Å; M768-V795 HydrophobicContact CE-CB 4.07Å; M768-V795 HydrophobicContact CE-CG2 3.54Å; M768-V795 HydrophobicContact SD-CG2 4.12Å; M768-T798 HydrophobicContact CE-CG2 3.25Å; M768-T798 HydrophobicContact SD-CG2 4.29Å |
| 769 | I | 94.4 | Very high | 94.6 | Very high | 133 Ų | 133 | 74.8 Ų | 74.8 | 68% | 0.682 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -3.4 | 178.5 | 64.6 | 176.5 | 0 | 0 | 0 | 113.4 | T765 Q766 F767 | T765-I769 WeakPolarHBondContact O-CG1 3.41Å; T765-I769 PolarHBondContact O-N 3.31Å; Q766-I769 VanDerWaalsContact O-CG1 3.23Å; Q766-I769 WeakPolarHBondContact O-CG1 3.35Å; F767-I769 VanDerWaalsContact C-N 3.29Å; F767-I769 PolarHBondContact O-N 3.21Å |
| 770 | S | 94.5 | Very high | 94.7 | Very high | 32 Ų | 32 | 70.2 Ų | 70.2 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | trans | -72.6 | 142.1 | -179.4 | 84 | 0 | 0 | 0 | 0 | 111.6 | Q766 F767 D772 R773 | Q766-S770 PolarHBondContact O-N 2.92Å; F767-S770 PolarHBondContact O-N 3.02Å; F767-S770 PolarHBondContact O-OG 3.01Å; S770-D772 VanDerWaalsContact C-N 3.26Å; S770-D772 WeakPolarHBondContact CB-OD1 3.33Å; S770-D772 PolarHBondContact O-N 3.08Å; S770-D772 PolarHBondContact OG-OD1 2.97Å; S770-R773 VanDerWaalsContact O-CB 3.29Å; S770-R773 WeakPolarHBondContact O-CB 3.4Å; S770-R773 PolarHBondContact O-N 3.46Å; S770-R773 PolarHBondContact OG-N 2.91Å | ||
| 771 | E | 93.5 | Very high | 94.7 | Very high | 199 Ų | 199 | 72.9 Ų | 72.9 | 93% | 0.93 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -30.7 | -178.6 | -65 | -172 | 165.4 | 0 | 0 | 112.5 | R773 | E771-R773 VanDerWaalsContact C-N 3.34Š|
| 772 | D | 94.3 | Very high | 94.5 | Very high | 75 Ų | 75 | 72.9 Ų | 72.9 | 40% | 0.401 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 5.4 | -179 | 69.4 | -16.6 | 0 | 0 | 0 | 114 | S770 D774 K775 R776 | S770-D772 VanDerWaalsContact C-N 3.26Å; S770-D772 WeakPolarHBondContact CB-OD1 3.33Å; S770-D772 PolarHBondContact O-N 3.08Å; S770-D772 PolarHBondContact OG-OD1 2.97Å; D772-D774 VanDerWaalsContact C-N 3.35Å; D772-D774 PolarHBondContact O-N 3.49Å; D772-K775 PolarHBondContact O-N 3.48Å; D772-R776 VanDerWaalsContact CG-CD 3.45Å; D772-R776 WeakPolarHBondContact O-CG 3.2Å; D772-R776 PolarHBondContact O-N 2.78Å; D772-R776 IonicContact OD1-NH1 2.85Å; D772-R776 WeakPolarHBondContact OD2-CD 3.46Å |
| 773 | R | 94.4 | Very high | 93.9 | Very high | 59 Ų | 59 | 80 Ų | 80 | 22% | 0.223 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -47.8 | -54.6 | -175.3 | 178.9 | -161.4 | 68.7 | -144.9 | -3 | 112.1 | F767 M768 S770 E771 R776 L777 L794 | F767-R773 HydrophobicContact CD1-CG 3.89Å; F767-R773 HydrophobicContact CE1-CB 4.41Å; F767-R773 HydrophobicContact CE1-CG 3.68Å; M768-R773 WeakPolarHBondContact O-CD 3.32Å; M768-R773 PolarHBondContact O-NH1 2.9Å; M768-R773 VanDerWaalsContact O-NH1 3.08Å; S770-R773 VanDerWaalsContact O-CB 3.29Å; S770-R773 WeakPolarHBondContact O-CB 3.4Å; S770-R773 PolarHBondContact O-N 3.46Å; S770-R773 PolarHBondContact OG-N 2.91Å; E771-R773 VanDerWaalsContact C-N 3.34Å; R773-R776 PolarHBondContact O-N 3.27Å; R773-L777 HydrophobicContact CG-CD1 3.95Å; R773-L777 HydrophobicContact CG-CG 4.5Å; R773-L777 WeakPolarHBondContact O-CG 3.16Å; R773-L777 PolarHBondContact O-N 2.94Å; R773-L794 HydrophobicContact CG-CD2 4.14Å |
| 774 | D | 94.7 | Very high | 93.2 | Very high | 40 Ų | 40 | 84.1 Ų | 84.1 | 21% | 0.214 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.2 | -41.6 | -172.7 | -70.9 | -21.6 | 0 | 0 | 0 | 111.5 | D772 R776 L777 E778 L787 R791 | D772-D774 VanDerWaalsContact C-N 3.35Å; D772-D774 PolarHBondContact O-N 3.49Å; D774-R776 VanDerWaalsContact C-N 3.27Å; D774-R776 PolarHBondContact O-N 3.26Å; D774-L777 PolarHBondContact O-N 3.36Å; D774-L777 VanDerWaalsContact O-N 3.09Å; D774-E778 WeakPolarHBondContact O-CG 3.37Å; D774-E778 PolarHBondContact O-N 2.83Å; D774-L787 HydrophobicContact CB-CD1 4.13Å; D774-L787 HydrophobicContact CB-CD2 3.97Å; D774-R791 VanDerWaalsContact CG-NH2 3.29Å; D774-R791 IonicContact OD1-CZ 2.73Å; D774-R791 IonicContact OD1-NE 2.74Å; D774-R791 PolarHBondContact OD1-NE 3.46Å; D774-R791 IonicContact OD1-NH2 3.77Å; D774-R791 IonicContact OD2-CZ 3.79Å; D774-R791 IonicContact OD2-NE 3.82Å; D774-R791 IonicContact OD2-NH2 3.17Å; D774-R791 PolarHBondContact OD2-NH2 3.17Å |
| 775 | K | 94.6 | Very high | 92.9 | Very high | 163 Ų | 163 | 84.7 Ų | 84.7 | 71% | 0.709 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.5 | -37.1 | 174.8 | -171.1 | 179.2 | -178.9 | -178.6 | 0 | 112 | D772 | D772-K775 PolarHBondContact O-N 3.48Å |
| 776 | R | 95.4 | Very high | 92.7 | Very high | 84 Ų | 84 | 82.3 Ų | 82.3 | 32% | 0.317 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -74.4 | -28.4 | 175.9 | -72.7 | 175.9 | 63.4 | -169.9 | 7.1 | 113 | F767 D772 R773 D774 Q779 | F767-R776 HydrophobicContact CE2-CB 4.46Å; F767-R776 VanDerWaalsContact CE2-NH2 3.33Å; F767-R776 HydrophobicContact CZ-CB 3.91Å; D772-R776 VanDerWaalsContact CG-CD 3.45Å; D772-R776 WeakPolarHBondContact O-CG 3.2Å; D772-R776 PolarHBondContact O-N 2.78Å; D772-R776 IonicContact OD1-NH1 2.85Å; D772-R776 WeakPolarHBondContact OD2-CD 3.46Å; R773-R776 PolarHBondContact O-N 3.27Å; D774-R776 VanDerWaalsContact C-N 3.27Å; D774-R776 PolarHBondContact O-N 3.26Å; R776-Q779 WeakPolarHBondContact O-CG 3.46Å; R776-Q779 PolarHBondContact O-NE2 3.18Å |
| 777 | L | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -78.4 | -31.4 | 174.9 | -70.8 | 176.2 | 0 | 0 | 0 | 112 | I744 F767 R773 D774 Q779 F780 L787 L790 R791 | I744-L777 HydrophobicContact CD1-CD2 4.18Å; I744-L777 HydrophobicContact CG1-CD2 4.19Å; F767-L777 HydrophobicContact CE1-CD1 4.41Å; F767-L777 HydrophobicContact CE1-CD2 3.96Å; F767-L777 HydrophobicContact CE1-CG 3.98Å; F767-L777 HydrophobicContact CZ-CD2 4.23Å; F767-L777 HydrophobicContact CZ-CG 4.38Å; R773-L777 HydrophobicContact CG-CD1 3.95Å; R773-L777 HydrophobicContact CG-CG 4.5Å; R773-L777 WeakPolarHBondContact O-CG 3.16Å; R773-L777 PolarHBondContact O-N 2.94Å; D774-L777 PolarHBondContact O-N 3.36Å; D774-L777 VanDerWaalsContact O-N 3.09Å; L777-Q779 PolarHBondContact O-N 3.03Å; L777-F780 PolarHBondContact O-N 2.92Å; L777-L787 HydrophobicContact CB-CD1 3.84Å; L777-L787 HydrophobicContact CD1-CD1 4.48Å; L777-L790 HydrophobicContact CB-CB 4.3Å; L777-L790 HydrophobicContact CB-CD1 4.05Å; L777-L790 HydrophobicContact CD1-CB 4.22Å; L777-L790 HydrophobicContact CD2-CB 4.39Å; L777-L790 WeakPolarHBondContact O-CD1 3.25Å; L777-R791 HydrophobicContact CD1-CG 4.39Å |
| 778 | E | 94.6 | Very high | 92.6 | Very high | 113 Ų | 113 | 79.8 Ų | 79.8 | 53% | 0.528 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -52.7 | -28.8 | -178.7 | -84.6 | 173.6 | -177.5 | 0 | 0 | 114.3 | D774 F780 C781 | D774-E778 WeakPolarHBondContact O-CG 3.37Å; D774-E778 PolarHBondContact O-N 2.83Å; E778-F780 PolarHBondContact O-N 3.42Å; E778-F780 VanDerWaalsContact O-N 3.16Å; E778-C781 VanDerWaalsContact O-CB 3.31Å; E778-C781 WeakPolarHBondContact O-CB 3.38Å; E778-C781 PolarHBondContact O-N 3.49Å; E778-C781 VanDerWaalsContact O-N 3.08Å |
| 779 | Q | 93.8 | Very high | 92.7 | Very high | 124 Ų | 124 | 78.2 Ų | 78.2 | 58% | 0.579 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -62.3 | -20.5 | 175.9 | 75 | -172.8 | -45.6 | 0 | 0 | 113.9 | R776 L777 | R776-Q779 WeakPolarHBondContact O-CG 3.46Å; R776-Q779 PolarHBondContact O-NE2 3.18Å; L777-Q779 PolarHBondContact O-N 3.03Å |
| 780 | F | 94.6 | Very high | 92.7 | Very high | 35 Ų | 35 | 71.9 Ų | 71.9 | 15% | 0.154 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -99.2 | 0.6 | 178.2 | -53.8 | -60.5 | 0 | 0 | 0 | 113.1 | N743 I744 L747 L777 E778 L790 | N743-F780 HydrophobicContact CB-CD1 3.99Å; N743-F780 HydrophobicContact CB-CE1 3.68Å; N743-F780 HydrophobicContact CB-CZ 4.26Å; I744-F780 HydrophobicContact CG1-CD2 4Å; I744-F780 HydrophobicContact CG1-CE2 4.12Å; L747-F780 HydrophobicContact CB-CE2 4.43Å; L747-F780 HydrophobicContact CB-CZ 4.25Å; L747-F780 HydrophobicContact CD2-CE2 3.72Å; L747-F780 HydrophobicContact CD2-CZ 4.18Å; L777-F780 PolarHBondContact O-N 2.92Å; E778-F780 PolarHBondContact O-N 3.42Å; E778-F780 VanDerWaalsContact O-N 3.16Å; F780-L790 HydrophobicContact CB-CD1 4.09Å; F780-L790 HydrophobicContact CB-CD2 3.95Å |
| 781 | C | 93.5 | Very high | 92.8 | Very high | 56 Ų | 56 | 74 Ų | 74 | 38% | 0.378 | 36% | 0.363 | S | S | . | . | trans | -65.1 | 139.6 | 174.8 | -73.2 | 0 | 0 | 0 | 0 | 110.5 | E778 V785 | E778-C781 VanDerWaalsContact O-CB 3.31Å; E778-C781 WeakPolarHBondContact O-CB 3.38Å; E778-C781 PolarHBondContact O-N 3.49Å; E778-C781 VanDerWaalsContact O-N 3.08Å; C781-V785 WeakPolarHBondContact CA-O 3.42Å | ||
| 782 | S | 90.1 | Very high | 92.8 | Very high | 65 Ų | 65 | 67.2 Ų | 67.2 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | trans | -135.9 | -176.9 | 176.2 | 70 | 0 | 0 | 0 | 0 | 110.3 | T784 V785 | S782-T784 PolarHBondContact O-N 2.87Å; S782-T784 PolarHBondContact OG-N 3.31Å; S782-T784 PolarHBondContact OG-OG1 2.86Å; S782-V785 PolarHBondContact N-O 3.23Å; S782-V785 VanDerWaalsContact O-O 3.14Å; S782-V785 PolarHBondContact OG-N 3.47Å; S782-V785 VanDerWaalsContact OG-N 3.12Å | ||
| 783 | K | 83.8 | Confident | 92.9 | Very high | 220 Ų | 220 | 63.9 Ų | 63.9 | 96% | 0.957 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -61.2 | -25.5 | 176.1 | -70.9 | -175.3 | -179.9 | 178.5 | 0 | 113.2 | ||
| 784 | T | 80.7 | Confident | 93 | Very high | 112 Ų | 112 | 61.1 Ų | 61.1 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -110.8 | -23.8 | -174.8 | 49.2 | 0 | 0 | 0 | 0 | 113.6 | S782 | S782-T784 PolarHBondContact O-N 2.87Å; S782-T784 PolarHBondContact OG-N 3.31Å; S782-T784 PolarHBondContact OG-OG1 2.86Å |
| 785 | V | 89.2 | Confident | 93 | Very high | 12 Ų | 12 | 61.4 Ų | 61.4 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | trans | -115.9 | 115.8 | -178.9 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | V740 C781 S782 T789 L790 | V740-V785 HydrophobicContact CG1-CG1 4.39Å; C781-V785 WeakPolarHBondContact CA-O 3.42Å; S782-V785 PolarHBondContact N-O 3.23Å; S782-V785 VanDerWaalsContact O-O 3.14Å; S782-V785 PolarHBondContact OG-N 3.47Å; S782-V785 VanDerWaalsContact OG-N 3.12Å; V785-T789 HydrophobicContact CG1-CG2 3.93Å; V785-L790 HydrophobicContact CG1-CD2 3.76Å; V785-L790 HydrophobicContact CG1-CG 4.06Å | ||
| 786 | G | 92.5 | Very high | 93 | Very high | 15 Ų | 15 | 54 Ų | 54 | 16% | 0.155 | 28% | 0.276 | C | S | . | . | trans | -108.9 | -172.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E48 D788 T789 L790 | E48-G786 PolarHBondContact OE1-N 3.39Å; G786-D788 VanDerWaalsContact C-N 3.3Å; G786-D788 PolarHBondContact O-N 3.44Å; G786-T789 PolarHBondContact O-N 2.88Å; G786-L790 WeakPolarHBondContact O-CG 2.76Å; G786-L790 PolarHBondContact O-N 3.21Å | ||
| 787 | L | 94 | Very high | 93 | Very high | 36 Ų | 36 | 50 Ų | 50 | 19% | 0.188 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -33.5 | -170.8 | -171.6 | 64.2 | 0 | 0 | 0 | 113.4 | D774 L777 L790 R791 | D774-L787 HydrophobicContact CB-CD1 4.13Å; D774-L787 HydrophobicContact CB-CD2 3.97Å; L777-L787 HydrophobicContact CB-CD1 3.84Å; L777-L787 HydrophobicContact CD1-CD1 4.48Å; L787-L790 PolarHBondContact O-N 3.23Å; L787-R791 VanDerWaalsContact CD2-NH2 3.33Å; L787-R791 VanDerWaalsContact O-CG 3.27Å; L787-R791 WeakPolarHBondContact O-CG 3.27Å; L787-R791 PolarHBondContact O-N 2.99Å |
| 788 | D | 93.4 | Very high | 93 | Very high | 56 Ų | 56 | 51.3 Ų | 51.3 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 179.3 | -66.9 | -38.2 | 0 | 0 | 0 | 111.8 | K47 G786 L790 R791 D792 | K47-D788 HydrophobicContact CB-CB 4.02Å; K47-D788 HydrophobicContact CD-CB 4.36Å; G786-D788 VanDerWaalsContact C-N 3.3Å; G786-D788 PolarHBondContact O-N 3.44Å; D788-L790 VanDerWaalsContact C-N 3.32Å; D788-L790 PolarHBondContact O-N 2.91Å; D788-R791 PolarHBondContact O-N 3.33Å; D788-R791 IonicContact OD1-NH1 2.9Å; D788-R791 PolarHBondContact OD1-NH1 3.25Å; D788-D792 PolarHBondContact O-N 3.04Å |
| 789 | T | 94.8 | Very high | 92.7 | Very high | 14 Ų | 14 | 48.9 Ų | 48.9 | 9% | 0.086 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 173 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | E48 V785 G786 R791 D792 I793 | E48-T789 VanDerWaalsContact CD-OG1 3.29Å; E48-T789 WeakPolarHBondContact OE1-CB 3.31Å; E48-T789 PolarHBondContact OE1-N 3.35Å; E48-T789 PolarHBondContact OE1-OG1 3.34Å; E48-T789 PolarHBondContact OE2-OG1 2.78Å; V785-T789 HydrophobicContact CG1-CG2 3.93Å; G786-T789 PolarHBondContact O-N 2.88Å; T789-R791 PolarHBondContact O-N 3.27Å; T789-D792 PolarHBondContact O-N 3.11Å; T789-I793 HydrophobicContact CG2-CD1 4.08Å; T789-I793 VanDerWaalsContact O-CG1 3.29Å; T789-I793 WeakPolarHBondContact O-CG1 3.44Å; T789-I793 PolarHBondContact O-N 2.79Å |
| 790 | L | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -40.4 | 177.7 | -61.6 | 174.3 | 0 | 0 | 0 | 112.1 | V740 I744 L777 F780 V785 G786 L787 D788 I793 L794 | V740-L790 HydrophobicContact CG1-CD2 3.28Å; I744-L790 HydrophobicContact CD1-CD2 3.95Å; L777-L790 HydrophobicContact CB-CB 4.3Å; L777-L790 HydrophobicContact CB-CD1 4.05Å; L777-L790 HydrophobicContact CD1-CB 4.22Å; L777-L790 HydrophobicContact CD2-CB 4.39Å; L777-L790 WeakPolarHBondContact O-CD1 3.25Å; F780-L790 HydrophobicContact CB-CD1 4.09Å; F780-L790 HydrophobicContact CB-CD2 3.95Å; V785-L790 HydrophobicContact CG1-CD2 3.76Å; V785-L790 HydrophobicContact CG1-CG 4.06Å; G786-L790 WeakPolarHBondContact O-CG 2.76Å; G786-L790 PolarHBondContact O-N 3.21Å; L787-L790 PolarHBondContact O-N 3.23Å; D788-L790 VanDerWaalsContact C-N 3.32Å; D788-L790 PolarHBondContact O-N 2.91Å; L790-I793 PolarHBondContact O-N 3.21Å; L790-L794 PolarHBondContact O-N 3.41Å |
| 791 | R | 95.5 | Very high | 92 | Very high | 77 Ų | 77 | 44.4 Ų | 44.4 | 29% | 0.291 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 173.6 | -71.6 | 165.7 | 178.3 | 163.1 | -7.4 | 111.4 | D774 L777 L787 D788 T789 I793 L794 V795 | D774-R791 VanDerWaalsContact CG-NH2 3.29Å; D774-R791 IonicContact OD1-CZ 2.73Å; D774-R791 IonicContact OD1-NE 2.74Å; D774-R791 PolarHBondContact OD1-NE 3.46Å; D774-R791 IonicContact OD1-NH2 3.77Å; D774-R791 IonicContact OD2-CZ 3.79Å; D774-R791 IonicContact OD2-NE 3.82Å; D774-R791 IonicContact OD2-NH2 3.17Å; D774-R791 PolarHBondContact OD2-NH2 3.17Å; L777-R791 HydrophobicContact CD1-CG 4.39Å; L787-R791 VanDerWaalsContact CD2-NH2 3.33Å; L787-R791 VanDerWaalsContact O-CG 3.27Å; L787-R791 WeakPolarHBondContact O-CG 3.27Å; L787-R791 PolarHBondContact O-N 2.99Å; D788-R791 PolarHBondContact O-N 3.33Å; D788-R791 IonicContact OD1-NH1 2.9Å; D788-R791 PolarHBondContact OD1-NH1 3.25Å; T789-R791 PolarHBondContact O-N 3.27Å; R791-I793 VanDerWaalsContact C-N 3.34Å; R791-I793 PolarHBondContact O-N 3.05Å; R791-L794 PolarHBondContact O-N 2.97Å; R791-V795 WeakPolarHBondContact O-CG2 3.45Å; R791-V795 PolarHBondContact O-N 2.99Å |
| 792 | D | 94.3 | Very high | 91.3 | Very high | 56 Ų | 56 | 42.7 Ų | 42.7 | 30% | 0.299 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.5 | -39.1 | 176.8 | -75.4 | -28.7 | 0 | 0 | 0 | 112.1 | K47 D788 T789 V795 A796 | K47-D792 WeakPolarHBondContact CD-OD2 3.39Å; K47-D792 VanDerWaalsContact CE-OD2 3.25Å; K47-D792 WeakPolarHBondContact CE-OD2 3.35Å; K47-D792 IonicContact NZ-OD1 2.71Å; K47-D792 PolarHBondContact NZ-OD1 3.19Å; K47-D792 IonicContact NZ-OD2 3.79Å; K47-D792 PolarHBondContact NZ-OD2 3.33Å; D788-D792 PolarHBondContact O-N 3.04Å; T789-D792 PolarHBondContact O-N 3.11Å; D792-V795 PolarHBondContact O-N 3.41Å; D792-A796 PolarHBondContact O-N 3.02Å |
| 793 | I | 96.6 | Very high | 91 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | 173.8 | -67.7 | 166.9 | 0 | 0 | 0 | 109.9 | V733 V740 A741 I744 T789 L790 R791 V795 A796 L797 | V733-I793 HydrophobicContact CG1-CG1 4.22Å; V733-I793 HydrophobicContact CG2-CB 4.48Å; V733-I793 HydrophobicContact CG2-CG1 4.24Å; V733-I793 HydrophobicContact CG2-CG2 4.24Å; V740-I793 HydrophobicContact CG1-CD1 3.76Å; A741-I793 HydrophobicContact CB-CG2 3.77Å; I744-I793 HydrophobicContact CD1-CB 4.25Å; I744-I793 HydrophobicContact CD1-CG2 3.87Å; T789-I793 HydrophobicContact CG2-CD1 4.08Å; T789-I793 VanDerWaalsContact O-CG1 3.29Å; T789-I793 WeakPolarHBondContact O-CG1 3.44Å; T789-I793 PolarHBondContact O-N 2.79Å; L790-I793 PolarHBondContact O-N 3.21Å; R791-I793 VanDerWaalsContact C-N 3.34Å; R791-I793 PolarHBondContact O-N 3.05Å; I793-V795 VanDerWaalsContact C-N 3.31Å; I793-V795 PolarHBondContact O-N 3.3Å; I793-A796 WeakPolarHBondContact O-CB 3.4Å; I793-A796 PolarHBondContact O-N 3.18Å; I793-A796 VanDerWaalsContact O-N 3.07Å; I793-L797 HydrophobicContact CG2-CD1 4.44Å; I793-L797 WeakPolarHBondContact O-CG 3.26Å; I793-L797 PolarHBondContact O-N 2.91Å |
| 794 | L | 96.3 | Very high | 91 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 176.9 | -173.1 | 69.7 | 0 | 0 | 0 | 111.9 | I744 A764 F767 M768 R773 L790 R791 A796 L797 T798 | I744-L794 HydrophobicContact CG2-CD1 4.37Å; A764-L794 HydrophobicContact CB-CD1 4.18Å; F767-L794 HydrophobicContact CB-CD1 4.5Å; F767-L794 HydrophobicContact CD1-CD1 3.91Å; F767-L794 HydrophobicContact CD1-CD2 3.58Å; F767-L794 HydrophobicContact CD1-CG 4.41Å; F767-L794 HydrophobicContact CE1-CD2 4.12Å; F767-L794 HydrophobicContact CG-CD1 4.46Å; M768-L794 HydrophobicContact CB-CD2 3.94Å; M768-L794 HydrophobicContact CE-CB 4.48Å; M768-L794 HydrophobicContact CE-CD2 4.31Å; M768-L794 HydrophobicContact CE-CG 3.97Å; M768-L794 HydrophobicContact CG-CD2 4.18Å; R773-L794 HydrophobicContact CG-CD2 4.14Å; L790-L794 PolarHBondContact O-N 3.41Å; R791-L794 PolarHBondContact O-N 2.97Å; L794-A796 VanDerWaalsContact C-N 3.31Å; L794-A796 PolarHBondContact O-N 3.12Å; L794-L797 PolarHBondContact O-N 3.38Å; L794-L797 VanDerWaalsContact O-N 3.14Å; L794-T798 PolarHBondContact O-N 3.3Å |
| 795 | V | 94.6 | Very high | 91.1 | Very high | 46 Ų | 46 | 27.8 Ų | 27.8 | 28% | 0.279 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.5 | -38.1 | 172.3 | 172.6 | 0 | 0 | 0 | 0 | 112.1 | M768 R791 D792 I793 L797 T798 R799 | M768-V795 VanDerWaalsContact CE-CA 3.42Å; M768-V795 HydrophobicContact CE-CB 4.07Å; M768-V795 HydrophobicContact CE-CG2 3.54Å; M768-V795 HydrophobicContact SD-CG2 4.12Å; R791-V795 WeakPolarHBondContact O-CG2 3.45Å; R791-V795 PolarHBondContact O-N 2.99Å; D792-V795 PolarHBondContact O-N 3.41Å; I793-V795 VanDerWaalsContact C-N 3.31Å; I793-V795 PolarHBondContact O-N 3.3Å; V795-L797 VanDerWaalsContact C-N 3.29Å; V795-L797 PolarHBondContact O-N 3.1Å; V795-T798 PolarHBondContact O-N 3.25Å; V795-T798 PolarHBondContact O-OG1 3.33Å; V795-R799 VanDerWaalsContact O-CD 3.31Å; V795-R799 WeakPolarHBondContact O-CD 3.41Å; V795-R799 WeakPolarHBondContact O-CG 3.42Å |
| 796 | A | 94.3 | Very high | 90.9 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 5% | 0.05 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.2 | -35.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V733 D792 I793 L794 R799 | V733-A796 HydrophobicContact CG2-CB 3.66Å; D792-A796 PolarHBondContact O-N 3.02Å; I793-A796 WeakPolarHBondContact O-CB 3.4Å; I793-A796 PolarHBondContact O-N 3.18Å; I793-A796 VanDerWaalsContact O-N 3.07Å; L794-A796 VanDerWaalsContact C-N 3.31Å; L794-A796 PolarHBondContact O-N 3.12Å; A796-R799 PolarHBondContact O-N 3.01Å |
| 797 | L | 95.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -74.9 | -21.5 | 180 | -64.1 | 175.7 | 0 | 0 | 0 | 114.1 | L728 I744 I745 L748 V755 M760 A764 I793 L794 V795 R799 | L728-L797 HydrophobicContact CD2-CD2 4.45Å; I744-L797 HydrophobicContact CG2-CD1 4.01Å; I745-L797 HydrophobicContact CD1-CD2 4.04Å; I745-L797 HydrophobicContact CG1-CD1 3.87Å; I745-L797 HydrophobicContact CG1-CD2 4.04Å; L748-L797 HydrophobicContact CD1-CD1 4.49Å; V755-L797 HydrophobicContact CG1-CD2 4.29Å; V755-L797 HydrophobicContact CG2-CD2 4Å; M760-L797 HydrophobicContact CG-CB 4.47Å; M760-L797 HydrophobicContact SD-CB 4.35Å; M760-L797 HydrophobicContact SD-CD2 4.39Å; A764-L797 HydrophobicContact CB-CB 3.91Å; I793-L797 HydrophobicContact CG2-CD1 4.44Å; I793-L797 WeakPolarHBondContact O-CG 3.26Å; I793-L797 PolarHBondContact O-N 2.91Å; L794-L797 PolarHBondContact O-N 3.38Å; L794-L797 VanDerWaalsContact O-N 3.14Å; V795-L797 VanDerWaalsContact C-N 3.29Å; V795-L797 PolarHBondContact O-N 3.1Å; L797-R799 PolarHBondContact O-N 3.32Å |
| 798 | T | 93.6 | Very high | 88.3 | Confident | 29 Ų | 29 | 32.3 Ų | 32.3 | 18% | 0.178 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -10.4 | 173.4 | 62.5 | 0 | 0 | 0 | 0 | 113.3 | R761 A764 M768 L794 V795 | R761-T798 WeakPolarHBondContact CD-O 3.22Å; R761-T798 WeakPolarHBondContact CG-O 3.41Å; A764-T798 HydrophobicContact CB-CG2 3.71Å; M768-T798 HydrophobicContact CE-CG2 3.25Å; M768-T798 HydrophobicContact SD-CG2 4.29Å; L794-T798 PolarHBondContact O-N 3.3Å; V795-T798 PolarHBondContact O-N 3.25Å; V795-T798 PolarHBondContact O-OG1 3.33Å |
| 799 | R | 88.6 | Confident | 86.7 | Confident | 61 Ų | 61 | 31.4 Ų | 31.4 | 23% | 0.23 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -99.5 | 149.9 | -173.6 | -67.4 | 164 | 170.9 | -165.8 | -13.1 | 111.3 | V795 A796 L797 F803 E805 | V795-R799 VanDerWaalsContact O-CD 3.31Å; V795-R799 WeakPolarHBondContact O-CD 3.41Å; V795-R799 WeakPolarHBondContact O-CG 3.42Å; A796-R799 PolarHBondContact O-N 3.01Å; L797-R799 PolarHBondContact O-N 3.32Å; R799-F803 HydrophobicContact CB-CB 3.92Å; R799-F803 HydrophobicContact CB-CD1 4.34Å; R799-F803 HydrophobicContact CB-CD2 4.21Å; R799-F803 HydrophobicContact CB-CG 3.9Å; R799-F803 HydrophobicContact CG-CD1 4.04Å; R799-F803 HydrophobicContact CG-CD2 4.24Å; R799-F803 HydrophobicContact CG-CE1 4.28Å; R799-F803 HydrophobicContact CG-CE2 4.45Å; R799-F803 HydrophobicContact CG-CG 4.01Å; R799-F803 HydrophobicContact CG-CZ 4.47Å; R799-E805 IonicContact CZ-OE1 3.67Å; R799-E805 IonicContact CZ-OE2 2.98Å; R799-E805 IonicContact NH1-OE1 2.99Å; R799-E805 PolarHBondContact NH1-OE1 2.97Å; R799-E805 IonicContact NH1-OE2 3.51Å; R799-E805 PolarHBondContact NH1-OE2 2.92Å; R799-E805 IonicContact NH2-OE2 3.6Å; R799-E805 PolarHBondContact NH2-OE2 2.84Å |
| 800 | P | 87.9 | Confident | 85.3 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 14% | 0.143 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 163.7 | 170.9 | 29.3 | -33.2 | 0 | 0 | 0 | 110.8 | S393 F803 | S393-P800 VanDerWaalsContact O-CG 3.26Å; S393-P800 WeakPolarHBondContact O-CG 3.32Å; P800-F803 HydrophobicContact CG-CB 4.38Å; P800-F803 HydrophobicContact CG-CD2 4.05Å; P800-F803 WeakPolarHBondContact O-CB 3.29Å; P800-F803 PolarHBondContact O-N 3.35Å |
| 801 | L | 85.9 | Confident | 83.9 | Confident | 44 Ų | 44 | 35.3 Ų | 35.3 | 23% | 0.23 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 144.4 | 171.7 | -63.5 | -177.1 | 0 | 0 | 0 | 110.9 | P727 Q730 V755 F803 | P727-L801 HydrophobicContact CB-CD2 4.23Å; Q730-L801 HydrophobicContact CB-CB 4.39Å; Q730-L801 HydrophobicContact CB-CD2 4.18Å; V755-L801 HydrophobicContact CG1-CD2 3.99Å; L801-F803 PolarHBondContact O-N 2.84Å |
| 802 | D | 79 | Confident | 82.8 | Confident | 19 Ų | 19 | 32.8 Ų | 32.8 | 10% | 0.102 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 26.9 | -178.5 | -157.1 | 25.7 | 0 | 0 | 0 | 114.3 | G396 R647 K649 D804 | G396-D802 VanDerWaalsContact C-OD2 3.31Å; G396-D802 VanDerWaalsContact CA-OD2 3.27Å; G396-D802 WeakPolarHBondContact CA-OD2 3.48Å; R647-D802 IonicContact CZ-OD1 2.89Å; R647-D802 PolarHBondContact NH1-O 2.82Å; R647-D802 IonicContact NH1-OD1 2.69Å; R647-D802 PolarHBondContact NH1-OD1 3.27Å; K649-D802 WeakPolarHBondContact CE-OD2 3.19Å; K649-D802 IonicContact NZ-OD2 2.7Å; K649-D802 PolarHBondContact NZ-OD2 3.24Å; D802-D804 PolarHBondContact O-N 2.92Å |
| 803 | F | 84.3 | Confident | 81.8 | Confident | 35 Ų | 35 | 32 Ų | 32 | 15% | 0.154 | 17% | 0.17 | C | C | . | . | trans | -54 | 129.7 | 174.9 | -178.2 | -98.2 | 0 | 0 | 0 | 111.4 | R647 R799 P800 L801 Q807 | R647-F803 VanDerWaalsContact CZ-O 3.26Å; R647-F803 PolarHBondContact NH1-O 3.33Å; R647-F803 PolarHBondContact NH2-O 3.48Å; R799-F803 HydrophobicContact CB-CB 3.92Å; R799-F803 HydrophobicContact CB-CD1 4.34Å; R799-F803 HydrophobicContact CB-CD2 4.21Å; R799-F803 HydrophobicContact CB-CG 3.9Å; R799-F803 HydrophobicContact CG-CD1 4.04Å; R799-F803 HydrophobicContact CG-CD2 4.24Å; R799-F803 HydrophobicContact CG-CE1 4.28Å; R799-F803 HydrophobicContact CG-CE2 4.45Å; R799-F803 HydrophobicContact CG-CG 4.01Å; R799-F803 HydrophobicContact CG-CZ 4.47Å; P800-F803 HydrophobicContact CG-CB 4.38Å; P800-F803 HydrophobicContact CG-CD2 4.05Å; P800-F803 WeakPolarHBondContact O-CB 3.29Å; P800-F803 PolarHBondContact O-N 3.35Å; L801-F803 PolarHBondContact O-N 2.84Å; F803-Q807 HydrophobicContact CE2-CB 4.09Å; F803-Q807 HydrophobicContact CE2-CG 4.38Å; F803-Q807 HydrophobicContact CZ-CB 4.01Å | ||
| 804 | D | 83.5 | Confident | 81 | Confident | 11 Ų | 11 | 34.4 Ų | 34.4 | 6% | 0.059 | 18% | 0.18 | C | C | . | . | trans | -92.7 | 120.1 | 177.4 | -172.2 | -24.3 | 0 | 0 | 0 | 108.6 | R372 D802 R806 Q807 | R372-D804 IonicContact NH2-OD2 3.93Å; R372-D804 PolarHBondContact NH2-OD2 3.2Å; D802-D804 PolarHBondContact O-N 2.92Å; D804-R806 PolarHBondContact O-N 2.73Å; D804-R806 VanDerWaalsContact OD1-CB 3.29Å; D804-R806 WeakPolarHBondContact OD1-CB 3.45Å; D804-R806 WeakPolarHBondContact OD1-CG 3.35Å; D804-R806 IonicContact OD1-CZ 3.36Å; D804-R806 PolarHBondContact OD1-N 3.01Å; D804-R806 IonicContact OD1-NE 3.84Å; D804-R806 PolarHBondContact OD1-NE 2.92Å; D804-R806 IonicContact OD1-NH2 2.94Å; D804-R806 IonicContact OD2-CZ 3.6Å; D804-R806 IonicContact OD2-NE 3.64Å; D804-R806 PolarHBondContact OD2-NE 2.92Å; D804-R806 IonicContact OD2-NH2 3.99Å; D804-R806 PolarHBondContact OD2-NH2 3.46Å; D804-Q807 WeakPolarHBondContact O-CB 3.34Å; D804-Q807 PolarHBondContact O-N 2.87Å | ||
| 805 | E | 83.2 | Confident | 79.7 | Confident | 39 Ų | 39 | 35.5 Ų | 35.5 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -12.1 | -178.4 | -60.5 | -70.9 | -178.1 | 0 | 0 | 113.3 | R44 M367 F585 R799 Q807 | R44-E805 IonicContact NH2-OE1 3.55Å; R44-E805 PolarHBondContact NH2-OE1 3.4Å; M367-E805 HydrophobicContact CE-CB 4.43Å; F585-E805 WeakPolarHBondContact O-CG 3.49Å; R799-E805 IonicContact CZ-OE1 3.67Å; R799-E805 IonicContact CZ-OE2 2.98Å; R799-E805 IonicContact NH1-OE1 2.99Å; R799-E805 PolarHBondContact NH1-OE1 2.97Å; R799-E805 IonicContact NH1-OE2 3.51Å; R799-E805 PolarHBondContact NH1-OE2 2.92Å; R799-E805 IonicContact NH2-OE2 3.6Å; R799-E805 PolarHBondContact NH2-OE2 2.84Å; E805-Q807 VanDerWaalsContact C-N 3.27Å |
| 806 | R | 85.4 | Confident | 78.2 | Confident | 8 Ų | 8 | 36.8 Ų | 36.8 | 3% | 0.03 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -3.1 | 174 | -57.7 | 172.9 | -67.7 | 173 | 1.2 | 112.4 | M367 A369 D544 L546 V586 D804 D808 C809 | M367-R806 HydrophobicContact CB-CG 4.42Å; M367-R806 HydrophobicContact CE-CG 3.77Å; M367-R806 WeakPolarHBondContact O-CB 3.31Å; M367-R806 WeakPolarHBondContact O-CG 3.47Å; M367-R806 HydrophobicContact SD-CG 4.09Å; A369-R806 VanDerWaalsContact CB-O 3.3Å; A369-R806 WeakPolarHBondContact CB-O 3.4Å; D544-R806 IonicContact OD1-CZ 3.22Å; D544-R806 IonicContact OD1-NH1 2.82Å; D544-R806 PolarHBondContact OD1-NH1 2.87Å; D544-R806 IonicContact OD1-NH2 2.69Å; D544-R806 IonicContact OD2-NH2 3.64Å; L546-R806 VanDerWaalsContact CB-NH1 3.27Å; V586-R806 HydrophobicContact CG2-CG 3.69Å; D804-R806 PolarHBondContact O-N 2.73Å; D804-R806 VanDerWaalsContact OD1-CB 3.29Å; D804-R806 WeakPolarHBondContact OD1-CB 3.45Å; D804-R806 WeakPolarHBondContact OD1-CG 3.35Å; D804-R806 IonicContact OD1-CZ 3.36Å; D804-R806 PolarHBondContact OD1-N 3.01Å; D804-R806 IonicContact OD1-NE 3.84Å; D804-R806 PolarHBondContact OD1-NE 2.92Å; D804-R806 IonicContact OD1-NH2 2.94Å; D804-R806 IonicContact OD2-CZ 3.6Å; D804-R806 IonicContact OD2-NE 3.64Å; D804-R806 PolarHBondContact OD2-NE 2.92Å; D804-R806 IonicContact OD2-NH2 3.99Å; D804-R806 PolarHBondContact OD2-NH2 3.46Å; R806-D808 PolarHBondContact O-N 3.22Å; R806-C809 WeakPolarHBondContact O-CB 3.42Å; R806-C809 PolarHBondContact O-N 3.49Å |
| 807 | Q | 68.1 | Low | 76.7 | Confident | 31 Ų | 31 | 41 Ų | 41 | 15% | 0.145 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 138.8 | 176.9 | -174.7 | 156.2 | 15 | 0 | 0 | 110 | I391 S392 S393 F803 D804 E805 C809 | I391-Q807 PolarHBondContact O-NE2 3.38Å; S392-Q807 VanDerWaalsContact C-NE2 3.33Å; S393-Q807 VanDerWaalsContact CA-OE1 3.26Å; F803-Q807 HydrophobicContact CE2-CB 4.09Å; F803-Q807 HydrophobicContact CE2-CG 4.38Å; F803-Q807 HydrophobicContact CZ-CB 4.01Å; D804-Q807 WeakPolarHBondContact O-CB 3.34Å; D804-Q807 PolarHBondContact O-N 2.87Å; E805-Q807 VanDerWaalsContact C-N 3.27Å; Q807-C809 PolarHBondContact O-N 3.22Å; Q807-C809 VanDerWaalsContact O-N 3.09Å |
| 808 | D | 62.1 | Low | 75.1 | Confident | 118 Ų | 118 | 43.2 Ų | 43.2 | 63% | 0.631 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 3.8 | -174.4 | -48.2 | -42 | 0 | 0 | 0 | 115.6 | R806 | R806-D808 PolarHBondContact O-N 3.22Š|
| 809 | C | 61.4 | Low | 74 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 25% | 0.25 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -92.3 | 111.4 | 177.3 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | M367 A369 R806 Q807 | M367-C809 WeakPolarHBondContact O-CB 3.35Å; A369-C809 WeakPolarHBondContact CB-O 3.41Å; A369-C809 PolarHBondContact N-O 3.4Å; R806-C809 WeakPolarHBondContact O-CB 3.42Å; R806-C809 PolarHBondContact O-N 3.49Å; Q807-C809 PolarHBondContact O-N 3.22Å; Q807-C809 VanDerWaalsContact O-N 3.09Å |
| 810 | F | 64.2 | Low | 73.4 | Confident | 43 Ų | 43 | 46.7 Ų | 46.7 | 19% | 0.189 | 25% | 0.251 | C | S | . | . | trans | 59.5 | 63.4 | 160.4 | -47 | -67.9 | 0 | 0 | 0 | 116.4 | R364 T368 | R364-F810 HydrophobicContact CB-CE2 4.49Å; R364-F810 HydrophobicContact CG-CE2 4.31Å; R364-F810 HydrophobicContact CG-CZ 4.26Å; R364-F810 VanDerWaalsContact CZ-CZ 3.47Å; R364-F810 VanDerWaalsContact NH1-CZ 3.34Å; T368-F810 HydrophobicContact CG2-CB 4.48Å; T368-F810 WeakPolarHBondContact CG2-O 3.46Å | ||
| 811 | T | 67.2 | Low | 73 | Confident | 53 Ų | 53 | 46 Ų | 46 | 33% | 0.325 | 25% | 0.247 | S | C | . | . | trans | -62.2 | 145.5 | 176.6 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | I391 | I391-T811 HydrophobicContact CD1-CG2 3.79Š| ||
| 812 | P | 72.3 | Confident | 72.9 | Confident | 24 Ų | 24 | 47.2 Ų | 47.2 | 16% | 0.156 | 26% | 0.258 | C | S | . | . | trans | -59.8 | 139.7 | 175.6 | -23.2 | 32.9 | 0 | 0 | 0 | 112.3 | A505 L542 F814 | A505-P812 HydrophobicContact CB-CB 4Å; L542-P812 HydrophobicContact CD1-CB 3.9Å; L542-P812 HydrophobicContact CD1-CG 3.63Å; P812-F814 HydrophobicContact CB-CE2 4.12Å; P812-F814 HydrophobicContact CB-CZ 4.23Å; P812-F814 WeakPolarHBondContact O-CD2 3.17Å; P812-F814 PolarHBondContact O-N 2.93Å | ||
| 813 | L | 74.5 | Confident | 73.2 | Confident | 41 Ų | 41 | 50.2 Ų | 50.2 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | trans | -79.5 | 108.7 | 171.6 | -174.8 | 67.2 | 0 | 0 | 0 | 109 | R833 | L813-R833 HydrophobicContact CB-CB 4.38Å; L813-R833 HydrophobicContact CD2-CB 4.11Å | ||
| 814 | F | 78.1 | Confident | 73.4 | Confident | 54 Ų | 54 | 49.1 Ų | 49.1 | 24% | 0.237 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 137 | 173.5 | -68.6 | -79.2 | 0 | 0 | 0 | 110.8 | L371 T472 R503 Y504 A505 P812 | L371-F814 HydrophobicContact CD1-CE2 4.32Å; L371-F814 HydrophobicContact CD1-CZ 3.98Å; L371-F814 HydrophobicContact CD2-CZ 4.31Å; T472-F814 HydrophobicContact CG2-CE1 3.94Å; T472-F814 HydrophobicContact CG2-CZ 4.43Å; R503-F814 HydrophobicContact CB-CD1 4.04Å; R503-F814 HydrophobicContact CG-CD1 3.81Å; R503-F814 HydrophobicContact CG-CE1 4.08Å; R503-F814 HydrophobicContact CG-CG 4.48Å; Y504-F814 VanDerWaalsContact O-CA 3.31Å; Y504-F814 WeakPolarHBondContact O-CA 3.31Å; A505-F814 HydrophobicContact CB-CD1 3.88Å; A505-F814 HydrophobicContact CB-CE1 3.79Å; A505-F814 HydrophobicContact CB-CZ 4.45Å; P812-F814 HydrophobicContact CB-CE2 4.12Å; P812-F814 HydrophobicContact CB-CZ 4.23Å; P812-F814 WeakPolarHBondContact O-CD2 3.17Å; P812-F814 PolarHBondContact O-N 2.93Å |
| 815 | H | 70 | Confident | 73.7 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 12% | 0.116 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 144 | 178.4 | -60.4 | -85.9 | 0 | 0 | 0 | 111 | Y504 D845 | Y504-H815 HydrophobicContact CD1-CB 4.37Å; Y504-H815 WeakPolarHBondContact CD1-O 3.4Å; Y504-H815 HydrophobicContact CE1-CB 3.65Å; Y504-H815 WeakPolarHBondContact CE1-O 3.44Å; Y504-H815 HydrophobicContact CE2-CB 3.95Å; Y504-H815 VanDerWaalsContact CZ-CB 3.4Å; Y504-H815 PolarHBondContact O-N 2.89Å; Y504-H815 WeakPolarHBondContact OH-CB 3.27Å; H815-D845 IonicContact CE1-OD2 2.73Å; H815-D845 IonicContact NE2-OD2 3Å |
| 816 | S | 63.1 | Low | 74.1 | Confident | 72 Ų | 72 | 64 Ų | 64 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | trans | -134.9 | -6.5 | 174.4 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 817 | T | 63.4 | Low | 74.5 | Confident | 94 Ų | 94 | 66 Ų | 66 | 58% | 0.577 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -132.4 | 151.6 | -175 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | ||
| 818 | V | 61.3 | Low | 75.6 | Confident | 48 Ų | 48 | 67.5 Ų | 67.5 | 29% | 0.291 | 36% | 0.359 | S | S | . | . | trans | -101 | 120.2 | -179.8 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | A489 | A489-V818 HydrophobicContact CB-CG2 3.38Š| ||
| 819 | M | 70.7 | Confident | 77 | Confident | 63 Ų | 63 | 67.7 Ų | 67.7 | 31% | 0.31 | 36% | 0.356 | S | S | . | . | trans | -119.5 | 137.1 | 166.2 | -74.5 | -176 | 57 | 0 | 0 | 110.7 | L824 M828 V848 | M819-L824 HydrophobicContact CE-CD2 3.87Å; M819-M828 HydrophobicContact CE-CE 3.4Å; M819-V848 HydrophobicContact CB-CG1 3.97Å | ||
| 820 | K | 75 | Confident | 78.4 | Confident | 99 Ų | 99 | 66.4 Ų | 66.4 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | trans | -101.5 | 159 | 175.3 | -60.8 | 177.7 | -177.5 | 174.2 | 0 | 111.1 | S822 D823 | K820-S822 WeakPolarHBondContact CB-OG 3.48Å; K820-S822 PolarHBondContact O-N 2.92Å; K820-D823 WeakPolarHBondContact CB-OD2 3.25Å; K820-D823 PolarHBondContact N-OD2 3.13Å; K820-D823 WeakPolarHBondContact O-CB 3.37Å; K820-D823 PolarHBondContact O-N 3.44Å | ||
| 821 | I | 81.1 | Confident | 79.5 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 5% | 0.046 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -61.1 | -30 | 173.8 | -165.9 | 168.4 | 0 | 0 | 0 | 112.2 | D823 L824 V907 K912 V914 | I821-D823 PolarHBondContact O-N 3.31Å; I821-L824 HydrophobicContact CG1-CD1 4.42Å; I821-L824 WeakPolarHBondContact O-CB 3.4Å; I821-L824 PolarHBondContact O-N 3.49Å; I821-V907 HydrophobicContact CD1-CG1 4.47Å; I821-V907 HydrophobicContact CG1-CG1 3.94Å; I821-K912 HydrophobicContact CD1-CB 4.18Å; I821-V914 HydrophobicContact CD1-CG2 3.66Å; I821-V914 HydrophobicContact CG1-CG2 3.82Å |
| 822 | S | 83.5 | Confident | 80.3 | Confident | 68 Ų | 68 | 68.3 Ų | 68.3 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -63.7 | -21.8 | 174.4 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | K820 L824 | K820-S822 WeakPolarHBondContact CB-OG 3.48Å; K820-S822 PolarHBondContact O-N 2.92Å; S822-L824 VanDerWaalsContact C-N 3.31Å |
| 823 | D | 84.9 | Confident | 80.9 | Confident | 83 Ų | 83 | 68.6 Ų | 68.6 | 44% | 0.444 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -87.4 | -11.4 | -176 | -48.9 | -22.3 | 0 | 0 | 0 | 110.7 | K820 I821 | K820-D823 WeakPolarHBondContact CB-OD2 3.25Å; K820-D823 PolarHBondContact N-OD2 3.13Å; K820-D823 WeakPolarHBondContact O-CB 3.37Å; K820-D823 PolarHBondContact O-N 3.44Å; I821-D823 PolarHBondContact O-N 3.31Å |
| 824 | L | 87.7 | Confident | 81.5 | Confident | 11 Ų | 11 | 66.7 Ų | 66.7 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | trans | -80.2 | 135.7 | 178.7 | -62.5 | 179.8 | 0 | 0 | 0 | 111.7 | M819 I821 S822 M828 V830 I846 V848 V904 V907 V914 | M819-L824 HydrophobicContact CE-CD2 3.87Å; I821-L824 HydrophobicContact CG1-CD1 4.42Å; I821-L824 WeakPolarHBondContact O-CB 3.4Å; I821-L824 PolarHBondContact O-N 3.49Å; S822-L824 VanDerWaalsContact C-N 3.31Å; L824-M828 HydrophobicContact CD2-CE 4.35Å; L824-M828 HydrophobicContact CD2-SD 3.9Å; L824-V830 HydrophobicContact CD2-CG1 4.02Å; L824-I846 HydrophobicContact CD1-CD1 3.88Å; L824-I846 HydrophobicContact CD2-CD1 4.47Å; L824-V848 HydrophobicContact CD1-CG1 4.03Å; L824-V848 HydrophobicContact CD1-CG2 4.16Å; L824-V848 HydrophobicContact CD2-CG1 4.16Å; L824-V848 HydrophobicContact CG-CG1 4.16Å; L824-V904 HydrophobicContact CD2-CG2 4.44Å; L824-V907 HydrophobicContact CB-CG2 3.81Å; L824-V914 HydrophobicContact CD1-CB 4.49Å; L824-V914 HydrophobicContact CD1-CG1 3.93Å; L824-V914 HydrophobicContact CD1-CG2 3.71Å | ||
| 825 | R | 89.6 | Confident | 81.6 | Confident | 195 Ų | 195 | 66.8 Ų | 66.8 | 74% | 0.736 | 34% | 0.341 | S | S | * | . | trans | -124.1 | 148 | 170.7 | -64.1 | -139.3 | -78.5 | -93.6 | 7 | 111.4 | G827 M828 | R825-G827 PolarHBondContact O-N 3Å; R825-M828 WeakPolarHBondContact O-CB 3.44Å; R825-M828 PolarHBondContact O-N 3.38Å | ||
| 826 | K | 92.6 | Very high | 82.3 | Confident | 168 Ų | 168 | 67.2 Ų | 67.2 | 73% | 0.73 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 131.9 | 171.5 | -177.7 | 174.4 | -179.2 | 179.8 | 0 | 109.6 | V904 S905 | K826-V904 CarbonylContact C-O 3.56Å; K826-V904 WeakPolarHBondContact CA-O 3.39Å; K826-S905 VanDerWaalsContact CD-O 3.27Å; K826-S905 WeakPolarHBondContact CD-O 3.38Å; K826-S905 WeakPolarHBondContact CE-O 3.42Å; K826-S905 WeakPolarHBondContact CG-O 3.46Å |
| 827 | G | 92.9 | Very high | 83.5 | Confident | 49 Ų | 49 | 64.2 Ų | 64.2 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | -10.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R825 V904 | R825-G827 PolarHBondContact O-N 3Å; G827-V904 PolarHBondContact N-O 3.04Å |
| 828 | M | 92.5 | Very high | 84.6 | Confident | 64 Ų | 64 | 60.1 Ų | 60.1 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | trans | -65.2 | 135.2 | 176.3 | -174.6 | 173.7 | 172.7 | 0 | 0 | 110.9 | M819 L824 R825 V830 T903 V904 | M819-M828 HydrophobicContact CE-CE 3.4Å; L824-M828 HydrophobicContact CD2-CE 4.35Å; L824-M828 HydrophobicContact CD2-SD 3.9Å; R825-M828 WeakPolarHBondContact O-CB 3.44Å; R825-M828 PolarHBondContact O-N 3.38Å; M828-V830 HydrophobicContact CE-CG1 4.44Å; M828-V830 HydrophobicContact CG-CG1 4.32Å; M828-T903 CarbonylContact O-C 3.48Å; M828-T903 WeakPolarHBondContact O-CA 3.4Å; M828-V904 HydrophobicContact CB-CB 4.48Å; M828-V904 HydrophobicContact CB-CG2 4.25Å; M828-V904 PolarHBondContact O-N 3.12Å | ||
| 829 | Q | 91.8 | Very high | 85.6 | Confident | 122 Ų | 122 | 58.9 Ų | 58.9 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 131.4 | 170.6 | -69.7 | -166.6 | -8.8 | 0 | 0 | 109.8 | A902 | Q829-A902 WeakPolarHBondContact CA-O 3.07Å |
| 830 | V | 89.5 | Confident | 86.4 | Confident | 10 Ų | 10 | 58 Ų | 58 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 153.1 | 179.2 | -64.7 | 0 | 0 | 0 | 0 | 109.7 | L824 M828 I846 K901 A902 V904 L916 | L824-V830 HydrophobicContact CD2-CG1 4.02Å; M828-V830 HydrophobicContact CE-CG1 4.44Å; M828-V830 HydrophobicContact CG-CG1 4.32Å; V830-I846 HydrophobicContact CB-CB 4.37Å; V830-I846 HydrophobicContact CB-CG2 4.45Å; V830-I846 HydrophobicContact CG1-CD1 4.43Å; V830-I846 HydrophobicContact CG2-CB 4.35Å; V830-I846 HydrophobicContact CG2-CD1 4.23Å; V830-I846 HydrophobicContact CG2-CG2 3.96Å; V830-K901 WeakPolarHBondContact O-CA 3.5Å; V830-A902 PolarHBondContact N-O 3.16Å; V830-A902 PolarHBondContact O-N 2.83Å; V830-V904 HydrophobicContact CG1-CG2 3.87Å; V830-V904 HydrophobicContact CG2-CG2 4.17Å; V830-L916 HydrophobicContact CG2-CD2 3.75Å |
| 831 | K | 87.5 | Confident | 87.1 | Confident | 132 Ų | 132 | 53.2 Ų | 53.2 | 57% | 0.574 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 151.7 | 167.1 | -66.5 | -179.2 | -179.2 | 177.9 | 0 | 108.4 | I846 I900 M922 | K831-I846 WeakPolarHBondContact O-CA 3.46Å; K831-I900 CarbonylContact C-O 3.57Å; K831-I900 VanDerWaalsContact CA-O 3.25Å; K831-I900 WeakPolarHBondContact CA-O 3.44Å; K831-M922 HydrophobicContact CD-CE 4.36Å; K831-M922 HydrophobicContact CD-SD 4.15Å; K831-M922 HydrophobicContact CG-SD 4.25Å |
| 832 | G | 83.9 | Confident | 87.6 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165 | -177.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | C844 D845 R899 I900 | G832-C844 VanDerWaalsContact C-SG 3.6Å; G832-D845 CarbonylContact C-O 3.52Å; G832-D845 WeakPolarHBondContact CA-O 3.47Å; G832-R899 CarbonylContact O-C 3.59Å; G832-R899 WeakPolarHBondContact O-CA 3.29Å; G832-I900 PolarHBondContact N-O 3.32Å; G832-I900 PolarHBondContact O-N 3.03Å |
| 833 | R | 84.6 | Confident | 88 | Confident | 30 Ų | 30 | 52 Ų | 52 | 11% | 0.113 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 133.5 | 176.7 | -177.6 | 176 | -179.2 | -103.7 | 6 | 110.1 | L813 E835 C844 D845 D898 | L813-R833 HydrophobicContact CB-CB 4.38Å; L813-R833 HydrophobicContact CD2-CB 4.11Å; R833-E835 IonicContact CZ-OE1 2.84Å; R833-E835 IonicContact NH1-OE1 3.69Å; R833-E835 PolarHBondContact NH1-OE1 3.09Å; R833-E835 IonicContact NH1-OE2 2.65Å; R833-E835 PolarHBondContact O-N 2.94Å; R833-C844 PolarHBondContact N-SG 3.42Å; R833-C844 CarbonylContact O-C 3.25Å; R833-C844 VanDerWaalsContact O-CA 3.26Å; R833-C844 WeakPolarHBondContact O-CA 3.47Å; R833-C844 PolarHBondContact O-SG 3.33Å; R833-D845 PolarHBondContact N-O 3.11Å; R833-D845 PolarHBondContact O-N 2.78Å; R833-D898 WeakPolarHBondContact CA-O 3.39Å |
| 834 | V | 87.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 116.3 | 176.7 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | V837 A842 L894 R895 G897 D898 I900 | V834-V837 HydrophobicContact CG1-CG2 3.67Å; V834-A842 HydrophobicContact CG1-CB 4.07Å; V834-L894 HydrophobicContact CG1-CD2 4.37Å; V834-L894 HydrophobicContact CG2-CD2 3.41Å; V834-L894 VanDerWaalsContact CG2-CD2 3.41Å; V834-L894 HydrophobicContact CG2-CG 3.9Å; V834-R895 WeakPolarHBondContact CB-O 3.42Å; V834-R895 WeakPolarHBondContact CG1-O 3.29Å; V834-G897 WeakPolarHBondContact O-CA 3.45Å; V834-G897 PolarHBondContact O-N 2.82Å; V834-D898 HydrophobicContact CG2-CB 4.15Å; V834-D898 PolarHBondContact N-O 3.47Å; V834-I900 HydrophobicContact CG2-CG2 3.98Å |
| 835 | E | 80.5 | Confident | 88.1 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -19.9 | -178.2 | -73.4 | -58.3 | 134 | 0 | 0 | 113.1 | R833 F843 D845 L896 | R833-E835 IonicContact CZ-OE1 2.84Å; R833-E835 IonicContact NH1-OE1 3.69Å; R833-E835 PolarHBondContact NH1-OE1 3.09Å; R833-E835 IonicContact NH1-OE2 2.65Å; R833-E835 PolarHBondContact O-N 2.94Å; E835-F843 PolarHBondContact N-O 3.04Å; E835-D845 HydrophobicContact CG-CB 3.71Å; E835-L896 WeakPolarHBondContact O-CD1 3.44Å |
| 836 | N | 84.6 | Confident | 87.8 | Confident | 35 Ų | 35 | 39.6 Ų | 39.6 | 19% | 0.187 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 140.8 | 174 | -165.4 | 2.4 | 0 | 0 | 0 | 111.1 | N361 A842 F843 | N361-N836 PolarHBondContact ND2-OD1 3.11Å; N836-A842 CarbonylContact O-C 3.47Å; N836-A842 VanDerWaalsContact O-CA 3.28Å; N836-A842 WeakPolarHBondContact O-CA 3.43Å; N836-F843 HydrophobicContact CB-CB 4.23Å; N836-F843 HydrophobicContact CB-CD2 4.22Å; N836-F843 PolarHBondContact N-O 2.96Å; N836-F843 VanDerWaalsContact N-O 3.14Å; N836-F843 PolarHBondContact O-N 3.08Å |
| 837 | V | 87.6 | Confident | 87 | Confident | 9 Ų | 9 | 32.8 Ų | 32.8 | 6% | 0.055 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.5 | 171.7 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | V357 N361 V834 A842 L896 | V357-V837 WeakPolarHBondContact CG1-O 3.45Å; N361-V837 PolarHBondContact ND2-O 3.33Å; V834-V837 HydrophobicContact CG1-CG2 3.67Å; V837-A842 HydrophobicContact CG2-CB 4.41Å; V837-L896 HydrophobicContact CG2-CB 4.49Å |
| 838 | T | 86.9 | Confident | 86.3 | Confident | 7 Ų | 7 | 31.1 Ų | 31.1 | 4% | 0.043 | 16% | 0.155 | C | C | . | . | trans | -128.2 | 171.6 | 179.9 | 71.6 | 0 | 0 | 0 | 0 | 110.2 | F840 G841 F843 | T838-F840 HydrophobicContact CG2-CE1 4.18Å; T838-F840 HydrophobicContact CG2-CZ 4Å; T838-F840 PolarHBondContact O-N 3.23Å; T838-F840 VanDerWaalsContact O-N 3.09Å; T838-F840 WeakPolarHBondContact OG1-CD1 3.4Å; T838-F840 WeakPolarHBondContact OG1-CD2 3.32Å; T838-F840 WeakPolarHBondContact OG1-CE1 3.41Å; T838-F840 WeakPolarHBondContact OG1-CE2 3.36Å; T838-F840 WeakPolarHBondContact OG1-CG 3.42Å; T838-F840 WeakPolarHBondContact OG1-CZ 3.17Å; T838-F840 PolarHBondContact OG1-N 3.34Å; T838-G841 WeakPolarHBondContact CA-O 3.4Å; T838-G841 PolarHBondContact N-O 3.31Å; T838-G841 PolarHBondContact OG1-N 2.94Å; T838-G841 PolarHBondContact OG1-O 3.1Å; T838-F843 HydrophobicContact CG2-CD2 4.2Å; T838-F843 HydrophobicContact CG2-CE2 3.81Å | ||
| 839 | T | 82.5 | Confident | 85.2 | Confident | 23 Ų | 23 | 31 Ų | 31 | 14% | 0.141 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -63.6 | -16.5 | 177.1 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | V357 R856 | V357-T839 HydrophobicContact CG2-CG2 3.9Å; T839-R856 PolarHBondContact O-NH1 2.94Å |
| 840 | F | 86.8 | Confident | 84.5 | Confident | 43 Ų | 43 | 27.7 Ų | 27.7 | 19% | 0.189 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -115.1 | -10.1 | -175 | 56.2 | -94 | 0 | 0 | 0 | 115 | H274 M561 Y562 T838 F843 Y853 R856 | H274-F840 HydrophobicContact CB-CD1 3.91Å; H274-F840 HydrophobicContact CB-CE1 4.32Å; H274-F840 AromaticContact CG-CD1 3.67Å; H274-F840 AromaticContact ND1-CD1 3.78Å; M561-F840 HydrophobicContact CE-CE1 3.45Å; M561-F840 VanDerWaalsContact CE-CE1 3.45Å; M561-F840 HydrophobicContact CE-CZ 3.56Å; M561-F840 HydrophobicContact SD-CE1 4.37Å; M561-F840 HydrophobicContact SD-CZ 3.95Å; Y562-F840 HydrophobicContact CE2-CE1 4.28Å; T838-F840 HydrophobicContact CG2-CE1 4.18Å; T838-F840 HydrophobicContact CG2-CZ 4Å; T838-F840 PolarHBondContact O-N 3.23Å; T838-F840 VanDerWaalsContact O-N 3.09Å; T838-F840 WeakPolarHBondContact OG1-CD1 3.4Å; T838-F840 WeakPolarHBondContact OG1-CD2 3.32Å; T838-F840 WeakPolarHBondContact OG1-CE1 3.41Å; T838-F840 WeakPolarHBondContact OG1-CE2 3.36Å; T838-F840 WeakPolarHBondContact OG1-CG 3.42Å; T838-F840 WeakPolarHBondContact OG1-CZ 3.17Å; T838-F840 PolarHBondContact OG1-N 3.34Å; F840-F843 HydrophobicContact CE2-CE2 4.17Å; F840-F843 HydrophobicContact CE2-CZ 4.09Å; F840-F843 HydrophobicContact CZ-CE2 4.29Å; F840-F843 HydrophobicContact CZ-CZ 4.39Å; F840-Y853 AromaticContact CD2-CE2 3.87Å; F840-Y853 HydrophobicContact CD2-CE2 3.87Å; F840-Y853 AromaticContact CE2-CE2 3.94Å; F840-Y853 HydrophobicContact CE2-CE2 3.94Å; F840-Y853 PolarHBondContact O-OH 3.19Å; F840-Y853 VanDerWaalsContact O-OH 3.11Å; F840-R856 WeakPolarHBondContact O-CB 3.44Å; F840-R856 PolarHBondContact O-N 2.9Å; F840-R856 VanDerWaalsContact O-N 3.12Å |
| 841 | G | 90.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.9 | -176.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T838 I854 Y859 | T838-G841 WeakPolarHBondContact CA-O 3.4Å; T838-G841 PolarHBondContact N-O 3.31Å; T838-G841 PolarHBondContact OG1-N 2.94Å; T838-G841 PolarHBondContact OG1-O 3.1Å; G841-I854 CarbonylContact C-O 3.55Å; G841-I854 WeakPolarHBondContact CA-O 2.81Å; G841-Y859 WeakPolarHBondContact CA-OH 3.32Å; G841-Y859 PolarHBondContact O-OH 2.84Å |
| 842 | A | 91.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 155.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V834 N836 V837 Y853 I854 Y859 L894 | V834-A842 HydrophobicContact CG1-CB 4.07Å; N836-A842 CarbonylContact O-C 3.47Å; N836-A842 VanDerWaalsContact O-CA 3.28Å; N836-A842 WeakPolarHBondContact O-CA 3.43Å; V837-A842 HydrophobicContact CG2-CB 4.41Å; A842-Y853 WeakPolarHBondContact O-CA 3.4Å; A842-Y853 WeakPolarHBondContact O-CD2 3.33Å; A842-I854 HydrophobicContact CB-CB 4.41Å; A842-I854 PolarHBondContact N-O 3.49Å; A842-I854 PolarHBondContact O-N 3.42Å; A842-Y859 HydrophobicContact CB-CE1 4.03Å; A842-Y859 WeakPolarHBondContact CB-OH 3.27Å; A842-Y859 PolarHBondContact N-OH 3.36Å; A842-L894 HydrophobicContact CB-CD2 3.52Å |
| 843 | F | 91.5 | Very high | 85.1 | Confident | 50 Ų | 50 | 27.7 Ų | 27.7 | 22% | 0.219 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.9 | 172 | -62.9 | -85.7 | 0 | 0 | 0 | 108.3 | E835 N836 T838 F840 N851 A852 Y853 | E835-F843 PolarHBondContact N-O 3.04Å; N836-F843 HydrophobicContact CB-CB 4.23Å; N836-F843 HydrophobicContact CB-CD2 4.22Å; N836-F843 PolarHBondContact N-O 2.96Å; N836-F843 VanDerWaalsContact N-O 3.14Å; N836-F843 PolarHBondContact O-N 3.08Å; T838-F843 HydrophobicContact CG2-CD2 4.2Å; T838-F843 HydrophobicContact CG2-CE2 3.81Å; F840-F843 HydrophobicContact CE2-CE2 4.17Å; F840-F843 HydrophobicContact CE2-CZ 4.09Å; F840-F843 HydrophobicContact CZ-CE2 4.29Å; F840-F843 HydrophobicContact CZ-CZ 4.39Å; F843-N851 HydrophobicContact CB-CB 4.1Å; F843-A852 CarbonylContact C-O 3.46Å; F843-A852 WeakPolarHBondContact CA-O 3.38Å; F843-Y853 HydrophobicContact CD1-CD2 4.27Å; F843-Y853 AromaticContact CE1-CD2 3.83Å; F843-Y853 HydrophobicContact CE1-CD2 3.83Å; F843-Y853 HydrophobicContact CE1-CG 4.49Å; F843-Y853 AromaticContact CZ-CD2 3.99Å; F843-Y853 HydrophobicContact CZ-CD2 3.99Å; F843-Y853 HydrophobicContact CZ-CE2 4.42Å |
| 844 | C | 89.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.7 | -172.9 | 179 | 0 | 0 | 0 | 0 | 110.3 | G832 R833 N851 A852 I854 I900 L916 | G832-C844 VanDerWaalsContact C-SG 3.6Å; R833-C844 PolarHBondContact N-SG 3.42Å; R833-C844 CarbonylContact O-C 3.25Å; R833-C844 VanDerWaalsContact O-CA 3.26Å; R833-C844 WeakPolarHBondContact O-CA 3.47Å; R833-C844 PolarHBondContact O-SG 3.33Å; C844-N851 CarbonylContact O-C 3.58Å; C844-N851 WeakPolarHBondContact O-CA 3.37Å; C844-A852 PolarHBondContact N-O 3.23Å; C844-A852 PolarHBondContact O-N 3.42Å; C844-I854 HydrophobicContact CB-CD1 4.16Å; C844-I900 HydrophobicContact CB-CD1 4.01Å; C844-I900 WeakPolarHBondContact SG-CD1 3.3Å; C844-L916 HydrophobicContact CB-CD1 4.42Å |
| 845 | D | 84.4 | Confident | 85.8 | Confident | 18 Ų | 18 | 27.4 Ų | 27.4 | 10% | 0.096 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 117 | 167.3 | -178.9 | 9.9 | 0 | 0 | 0 | 109.2 | H815 G832 R833 E835 G847 | H815-D845 IonicContact CE1-OD2 2.73Å; H815-D845 IonicContact NE2-OD2 3Å; G832-D845 CarbonylContact C-O 3.52Å; G832-D845 WeakPolarHBondContact CA-O 3.47Å; R833-D845 PolarHBondContact N-O 3.11Å; R833-D845 PolarHBondContact O-N 2.78Å; E835-D845 HydrophobicContact CG-CB 3.71Å; D845-G847 PolarHBondContact OD1-N 2.87Å |
| 846 | I | 84.3 | Confident | 86.1 | Confident | 11 Ų | 11 | 29.9 Ų | 29.9 | 6% | 0.056 | 15% | 0.148 | C | C | . | . | trans | -107.4 | 15.9 | 177.2 | 61.3 | 171.5 | 0 | 0 | 0 | 112.3 | L824 V830 K831 V848 A852 V914 L916 | L824-I846 HydrophobicContact CD1-CD1 3.88Å; L824-I846 HydrophobicContact CD2-CD1 4.47Å; V830-I846 HydrophobicContact CB-CB 4.37Å; V830-I846 HydrophobicContact CB-CG2 4.45Å; V830-I846 HydrophobicContact CG1-CD1 4.43Å; V830-I846 HydrophobicContact CG2-CB 4.35Å; V830-I846 HydrophobicContact CG2-CD1 4.23Å; V830-I846 HydrophobicContact CG2-CG2 3.96Å; K831-I846 WeakPolarHBondContact O-CA 3.46Å; I846-V848 HydrophobicContact CD1-CG1 4.43Å; I846-V848 HydrophobicContact CD1-CG2 3.9Å; I846-V848 HydrophobicContact CG1-CB 4.45Å; I846-V848 HydrophobicContact CG1-CG1 4.26Å; I846-V848 HydrophobicContact CG1-CG2 3.62Å; I846-A852 HydrophobicContact CD1-CB 3.91Å; I846-A852 HydrophobicContact CG1-CB 4.24Å; I846-A852 HydrophobicContact CG2-CB 4.21Å; I846-V914 HydrophobicContact CD1-CG1 4.07Å; I846-L916 HydrophobicContact CG2-CD1 3.95Å | ||
| 847 | G | 75.3 | Confident | 86.2 | Confident | 25 Ų | 25 | 35.5 Ų | 35.5 | 26% | 0.258 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 76.1 | 26.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D845 | D845-G847 PolarHBondContact OD1-N 2.87Š|
| 848 | V | 77.7 | Confident | 86.3 | Confident | 14 Ų | 14 | 37.7 Ų | 37.7 | 9% | 0.085 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -119.9 | 177.4 | 172.9 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | M819 L824 I846 E850 | M819-V848 HydrophobicContact CB-CG1 3.97Å; L824-V848 HydrophobicContact CD1-CG1 4.03Å; L824-V848 HydrophobicContact CD1-CG2 4.16Å; L824-V848 HydrophobicContact CD2-CG1 4.16Å; L824-V848 HydrophobicContact CG-CG1 4.16Å; I846-V848 HydrophobicContact CD1-CG1 4.43Å; I846-V848 HydrophobicContact CD1-CG2 3.9Å; I846-V848 HydrophobicContact CG1-CB 4.45Å; I846-V848 HydrophobicContact CG1-CG1 4.26Å; I846-V848 HydrophobicContact CG1-CG2 3.62Å; V848-E850 VanDerWaalsContact C-N 3.34Å; V848-E850 WeakPolarHBondContact CG2-O 3.36Å; V848-E850 PolarHBondContact O-N 3.2Å |
| 849 | E | 69.4 | Low | 86.4 | Confident | 62 Ų | 62 | 38.3 Ų | 38.3 | 29% | 0.29 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -54.5 | -44.4 | -177.1 | -66.5 | -178.4 | -159.9 | 0 | 0 | 113.3 | R482 K912 | R482-E849 WeakPolarHBondContact CD-O 3.22Å; R482-E849 PolarHBondContact NE-O 3.25Å; R482-E849 PolarHBondContact NH1-O 3.37Å; R482-E849 PolarHBondContact NH2-O 3.05Å; E849-K912 IonicContact OE2-NZ 3.28Å; E849-K912 PolarHBondContact OE2-NZ 2.87Å |
| 850 | E | 76.8 | Confident | 86.4 | Confident | 53 Ų | 53 | 38.9 Ų | 38.9 | 25% | 0.248 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -115.4 | 146.3 | -175 | -63.6 | -71.1 | 169 | 0 | 0 | 112.5 | R482 V848 A852 K912 | R482-E850 IonicContact CZ-OE1 2.75Å; R482-E850 IonicContact CZ-OE2 2.86Å; R482-E850 IonicContact NH1-OE1 2.7Å; R482-E850 PolarHBondContact NH1-OE1 3.42Å; R482-E850 IonicContact NH1-OE2 2.72Å; R482-E850 IonicContact NH2-OE1 3.02Å; R482-E850 PolarHBondContact NH2-OE1 3Å; R482-E850 IonicContact NH2-OE2 3.75Å; R482-E850 PolarHBondContact NH2-OE2 3.3Å; V848-E850 VanDerWaalsContact C-N 3.34Å; V848-E850 WeakPolarHBondContact CG2-O 3.36Å; V848-E850 PolarHBondContact O-N 3.2Å; E850-A852 PolarHBondContact O-N 3.32Å; E850-K912 HydrophobicContact CG-CB 3.57Å; E850-K912 HydrophobicContact CG-CD 4.24Å; E850-K912 WeakPolarHBondContact CG-O 3.31Å |
| 851 | N | 86.5 | Confident | 85.7 | Confident | 72 Ų | 72 | 47.9 Ų | 47.9 | 39% | 0.385 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -59.6 | 131.8 | 170.5 | -74 | -1.1 | 0 | 0 | 0 | 110 | F843 C844 | F843-N851 HydrophobicContact CB-CB 4.1Å; C844-N851 CarbonylContact O-C 3.58Å; C844-N851 WeakPolarHBondContact O-CA 3.37Å |
| 852 | A | 92.2 | Very high | 84 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 140.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F843 C844 I846 E850 V914 L916 | F843-A852 CarbonylContact C-O 3.46Å; F843-A852 WeakPolarHBondContact CA-O 3.38Å; C844-A852 PolarHBondContact N-O 3.23Å; C844-A852 PolarHBondContact O-N 3.42Å; I846-A852 HydrophobicContact CD1-CB 3.91Å; I846-A852 HydrophobicContact CG1-CB 4.24Å; I846-A852 HydrophobicContact CG2-CB 4.21Å; E850-A852 PolarHBondContact O-N 3.32Å; A852-V914 CarbonylContact C-O 3.53Å; A852-V914 WeakPolarHBondContact CA-O 3.45Å; A852-V914 HydrophobicContact CB-CB 3.87Å; A852-V914 HydrophobicContact CB-CG1 3.81Å; A852-L916 HydrophobicContact CB-CD1 3.58Å; A852-L916 HydrophobicContact CB-CD2 4.07Å; A852-L916 HydrophobicContact CB-CG 3.61Å |
| 853 | Y | 95.2 | Very high | 81.3 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 29% | 0.29 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 132.1 | -177.3 | 174.8 | -112.3 | 0 | 0 | 0 | 111.6 | F840 A842 F843 P855 V914 A915 L916 | F840-Y853 AromaticContact CD2-CE2 3.87Å; F840-Y853 HydrophobicContact CD2-CE2 3.87Å; F840-Y853 AromaticContact CE2-CE2 3.94Å; F840-Y853 HydrophobicContact CE2-CE2 3.94Å; F840-Y853 PolarHBondContact O-OH 3.19Å; F840-Y853 VanDerWaalsContact O-OH 3.11Å; A842-Y853 WeakPolarHBondContact O-CA 3.4Å; A842-Y853 WeakPolarHBondContact O-CD2 3.33Å; F843-Y853 HydrophobicContact CD1-CD2 4.27Å; F843-Y853 AromaticContact CE1-CD2 3.83Å; F843-Y853 HydrophobicContact CE1-CD2 3.83Å; F843-Y853 HydrophobicContact CE1-CG 4.49Å; F843-Y853 AromaticContact CZ-CD2 3.99Å; F843-Y853 HydrophobicContact CZ-CD2 3.99Å; F843-Y853 HydrophobicContact CZ-CE2 4.42Å; Y853-P855 HydrophobicContact CD1-CG 4.19Å; Y853-P855 HydrophobicContact CE1-CB 4.14Å; Y853-P855 HydrophobicContact CE1-CG 3.74Å; Y853-V914 PolarHBondContact N-O 3.07Å; Y853-A915 WeakPolarHBondContact O-CA 3.49Å; Y853-L916 PolarHBondContact O-N 3.27Å |
| 854 | I | 94.9 | Very high | 78.5 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 110.6 | 172.9 | -62.7 | 161.3 | 0 | 0 | 0 | 108.1 | G841 A842 C844 E858 Y859 L894 I900 L916 V919 | G841-I854 CarbonylContact C-O 3.55Å; G841-I854 WeakPolarHBondContact CA-O 2.81Å; A842-I854 HydrophobicContact CB-CB 4.41Å; A842-I854 PolarHBondContact N-O 3.49Å; A842-I854 PolarHBondContact O-N 3.42Å; C844-I854 HydrophobicContact CB-CD1 4.16Å; I854-E858 HydrophobicContact CG2-CB 4.04Å; I854-Y859 HydrophobicContact CB-CE1 4.38Å; I854-Y859 HydrophobicContact CG2-CD1 3.77Å; I854-Y859 HydrophobicContact CG2-CE1 3.77Å; I854-L894 HydrophobicContact CD1-CD2 3.71Å; I854-I900 HydrophobicContact CD1-CD1 3.46Å; I854-I900 VanDerWaalsContact CD1-CD1 3.46Å; I854-L916 HydrophobicContact CD1-CD1 4.18Å; I854-L916 HydrophobicContact CG1-CB 3.77Å; I854-L916 HydrophobicContact CG1-CD1 4.03Å; I854-L916 HydrophobicContact CG1-CG 4.39Å; I854-V919 HydrophobicContact CD1-CG1 4.23Å; I854-V919 HydrophobicContact CD1-CG2 4.04Å; I854-V919 HydrophobicContact CG1-CG2 4.06Å; I854-V919 HydrophobicContact CG2-CG2 3.82Å |
| 855 | P | 91.6 | Very high | 75.5 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 16% | 0.156 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 145.3 | 171.5 | -19.1 | 30 | 0 | 0 | 0 | 111.7 | Y853 H857 E858 | Y853-P855 HydrophobicContact CD1-CG 4.19Å; Y853-P855 HydrophobicContact CE1-CB 4.14Å; Y853-P855 HydrophobicContact CE1-CG 3.74Å; P855-H857 WeakPolarHBondContact CB-CE1 3.48Å; P855-H857 PolarHBondContact O-N 3.28Å; P855-H857 VanDerWaalsContact O-N 3.08Å; P855-E858 HydrophobicContact CB-CG 4.49Å; P855-E858 HydrophobicContact CG-CG 4.41Å; P855-E858 WeakPolarHBondContact O-CB 3.33Å; P855-E858 PolarHBondContact O-N 2.73Å |
| 856 | R | 87.5 | Confident | 72.7 | Confident | 108 Ų | 108 | 68.6 Ų | 68.6 | 41% | 0.408 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -56 | -30.2 | -178.5 | -174.5 | 170.7 | -180 | 158.1 | 1.7 | 115.1 | T839 F840 E858 Y859 | T839-R856 PolarHBondContact O-NH1 2.94Å; F840-R856 WeakPolarHBondContact O-CB 3.44Å; F840-R856 PolarHBondContact O-N 2.9Å; F840-R856 VanDerWaalsContact O-N 3.12Å; R856-E858 PolarHBondContact O-N 3.25Å; R856-Y859 WeakPolarHBondContact O-CB 3.46Å; R856-Y859 PolarHBondContact O-N 3.13Å |
| 857 | H | 87.2 | Confident | 70 | Confident | 153 Ų | 153 | 76 Ų | 76 | 71% | 0.708 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -74 | -13.5 | 178.6 | 62.3 | -93.3 | 0 | 0 | 0 | 113.8 | P855 Y859 | P855-H857 WeakPolarHBondContact CB-CE1 3.48Å; P855-H857 PolarHBondContact O-N 3.28Å; P855-H857 VanDerWaalsContact O-N 3.08Å; H857-Y859 VanDerWaalsContact C-N 3.34Å |
| 858 | E | 90 | Very high | 67.8 | Low | 55 Ų | 55 | 82.7 Ų | 82.7 | 26% | 0.257 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -91.2 | 1.7 | 174.9 | -69.2 | -68.2 | 159.1 | 0 | 0 | 112.5 | I854 P855 R856 H917 K918 | I854-E858 HydrophobicContact CG2-CB 4.04Å; P855-E858 HydrophobicContact CB-CG 4.49Å; P855-E858 HydrophobicContact CG-CG 4.41Å; P855-E858 WeakPolarHBondContact O-CB 3.33Å; P855-E858 PolarHBondContact O-N 2.73Å; R856-E858 PolarHBondContact O-N 3.25Å; E858-H917 HydrophobicContact CG-CB 4.14Å; E858-H917 WeakPolarHBondContact OE2-CA 3.38Å; E858-H917 WeakPolarHBondContact OE2-CB 3.47Å; E858-K918 PolarHBondContact OE2-N 3.39Å |
| 859 | Y | 88.6 | Confident | 65.2 | Low | 20 Ų | 20 | 91.3 Ų | 91.3 | 8% | 0.078 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -64.5 | 140.3 | 176.2 | -77.4 | 21 | 0 | 0 | 0 | 109.1 | G841 A842 I854 R856 H857 F892 L894 | G841-Y859 WeakPolarHBondContact CA-OH 3.32Å; G841-Y859 PolarHBondContact O-OH 2.84Å; A842-Y859 HydrophobicContact CB-CE1 4.03Å; A842-Y859 WeakPolarHBondContact CB-OH 3.27Å; A842-Y859 PolarHBondContact N-OH 3.36Å; I854-Y859 HydrophobicContact CB-CE1 4.38Å; I854-Y859 HydrophobicContact CG2-CD1 3.77Å; I854-Y859 HydrophobicContact CG2-CE1 3.77Å; R856-Y859 WeakPolarHBondContact O-CB 3.46Å; R856-Y859 PolarHBondContact O-N 3.13Å; H857-Y859 VanDerWaalsContact C-N 3.34Å; Y859-F892 HydrophobicContact CD2-CB 4.39Å; Y859-F892 HydrophobicContact CD2-CD1 4.32Å; Y859-F892 HydrophobicContact CE2-CB 4.27Å; Y859-F892 AromaticContact CE2-CD1 3.86Å; Y859-F892 HydrophobicContact CE2-CD1 3.86Å; Y859-L894 HydrophobicContact CD1-CB 4.06Å; Y859-L894 HydrophobicContact CD2-CB 3.7Å; Y859-L894 HydrophobicContact CE1-CB 4.08Å; Y859-L894 HydrophobicContact CE1-CD2 4.23Å; Y859-L894 HydrophobicContact CE2-CB 3.71Å; Y859-L894 HydrophobicContact CG-CB 3.88Å |
| 860 | P | 82.5 | Confident | 63 | Low | 34 Ų | 34 | 96 Ų | 96 | 22% | 0.221 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -50.8 | 150.1 | 174 | -6.6 | 5.3 | 0 | 0 | 0 | 110.5 | T893 L894 V921 | P860-T893 WeakPolarHBondContact CD-OG1 3.49Å; P860-T893 WeakPolarHBondContact O-CB 3.28Å; P860-T893 WeakPolarHBondContact O-CG2 3.19Å; P860-T893 PolarHBondContact O-OG1 3.03Å; P860-L894 HydrophobicContact CG-CD1 4.03Å; P860-V921 HydrophobicContact CG-CG2 3.93Å |
| 861 | R | 71.6 | Confident | 60.5 | Low | 232 Ų | 232 | 97.6 Ų | 97.6 | 88% | 0.875 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -89.9 | 138.2 | 169.3 | -65 | -175.9 | -172.8 | 172.5 | 2.7 | 108 | C863 | R861-C863 PolarHBondContact O-N 3.48Š|
| 862 | N | 55.5 | Low | 57.7 | Low | 90 Ų | 90 | 99.6 Ų | 99.6 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | trans | -63.3 | 103.5 | 174.8 | -96.4 | -1.9 | 0 | 0 | 0 | 108.4 | S864 T893 | N862-S864 PolarHBondContact O-N 3.18Å; N862-T893 HydrophobicContact CB-CG2 4.16Å; N862-T893 WeakPolarHBondContact OD1-CG2 3.44Å | ||
| 863 | C | 34.7 | Very low | 54.4 | Low | 112 Ų | 112 | 108.4 Ų | 108.4 | 76% | 0.757 | 57% | 0.573 | S | S | * | * | trans | -84 | 67.6 | 162.7 | -74.3 | 0 | 0 | 0 | 0 | 108.3 | R861 | R861-C863 PolarHBondContact O-N 3.48Š| ||
| 864 | S | 32.2 | Very low | 51.1 | Low | 91 Ų | 91 | 111.1 Ų | 111.1 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | trans | -118.8 | 61.4 | 173.2 | 61.7 | 0 | 0 | 0 | 0 | 109.9 | N862 | N862-S864 PolarHBondContact O-N 3.18Š| ||
| 865 | T | 28 | Very low | 47.9 | Very low | 136 Ų | 136 | 116.7 Ų | 116.7 | 83% | 0.834 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -144.8 | 8 | 159 | 42.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 866 | S | 25.2 | Very low | 44.6 | Very low | 75 Ų | 75 | 122.4 Ų | 122.4 | 52% | 0.524 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -107 | -1.6 | -174 | 55 | 0 | 0 | 0 | 0 | 116.4 | ||
| 867 | N | 26.8 | Very low | 41.8 | Very low | 166 Ų | 166 | 123.8 Ų | 123.8 | 89% | 0.888 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -111.8 | 17.1 | 177.2 | -73 | -6.6 | 0 | 0 | 0 | 114.4 | ||
| 868 | L | 28.8 | Very low | 38.8 | Very low | 166 Ų | 166 | 120.1 Ų | 120.1 | 87% | 0.869 | 70% | 0.695 | S | S | * | * | trans | -115.5 | 40.3 | 169.4 | -94.9 | 152.4 | 0 | 0 | 0 | 110.7 | ||||
| 869 | K | 23.2 | Very low | 35.7 | Very low | 194 Ų | 194 | 125 Ų | 125 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | trans | -108.7 | 52.7 | 168.8 | -92.4 | -168.5 | 175.5 | -174.5 | 0 | 110.5 | ||||
| 870 | I | 24.9 | Very low | 32.5 | Very low | 161 Ų | 161 | 127.8 Ų | 127.8 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -142.4 | 124.2 | 157.7 | -56 | -178.4 | 0 | 0 | 0 | 105.5 | ||
| 871 | A | 24.2 | Very low | 29.8 | Very low | 86 Ų | 86 | 132.7 Ų | 132.7 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 93.6 | 117.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 872 | S | 27.2 | Very low | 27.7 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 84 | 82.5 | 161.5 | 70.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 873 | E | 22.9 | Very low | 26.2 | Very low | 185 Ų | 185 | 130.8 Ų | 130.8 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -58.4 | 140.1 | 134.4 | -70.1 | 174.6 | 158 | 0 | 0 | 109.2 | ||||
| 874 | T | 24.9 | Very low | 25.7 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 112.4 | 97.4 | 168.1 | 64 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 875 | S | 28 | Very low | 25.3 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | 168.8 | 102.9 | 123.4 | 40 | 0 | 0 | 0 | 0 | 110.5 | T877 | S875-T877 PolarHBondContact O-N 3.46Š| |||
| 876 | T | 22.8 | Very low | 25.2 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -75.7 | 104 | 172.9 | -38.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 877 | T | 28.4 | Very low | 25.4 | Very low | 137 Ų | 137 | 133 Ų | 133 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -146.2 | 119.1 | 152.3 | 44.8 | 0 | 0 | 0 | 0 | 109.4 | S875 | S875-T877 PolarHBondContact O-N 3.46Š| ||
| 878 | G | 23.8 | Very low | 25.5 | Very low | 77 Ų | 77 | 130.3 Ų | 130.3 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -79.2 | 135.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 879 | I | 24.7 | Very low | 25.8 | Very low | 156 Ų | 156 | 127.6 Ų | 127.6 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -131.4 | 108.4 | 149.3 | -62.1 | -179.5 | 0 | 0 | 0 | 105.6 | V881 | I879-V881 PolarHBondContact O-N 3.16Š| ||
| 880 | G | 23 | Very low | 26.4 | Very low | 80 Ų | 80 | 127.6 Ų | 127.6 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -68.6 | 110.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 881 | V | 25.7 | Very low | 27.3 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -87.9 | 111.8 | 161.2 | -178 | 0 | 0 | 0 | 0 | 106.3 | I879 D883 | I879-V881 PolarHBondContact O-N 3.16Å; V881-D883 PolarHBondContact O-N 2.93Å | ||
| 882 | S | 26.7 | Very low | 28.5 | Very low | 109 Ų | 109 | 123 Ų | 123 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | -59.2 | 128.7 | 178.2 | 49.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 883 | D | 23.4 | Very low | 30.7 | Very low | 174 Ų | 174 | 118.4 Ų | 118.4 | 93% | 0.93 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -48.5 | 135.9 | 168.9 | -149.1 | -0.9 | 0 | 0 | 0 | 112.5 | V881 | V881-D883 PolarHBondContact O-N 2.93Š|
| 884 | G | 24.2 | Very low | 33.6 | Very low | 77 Ų | 77 | 109.6 Ų | 109.6 | 79% | 0.794 | 67% | 0.673 | S | S | * | * | trans | 132.1 | 49 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 885 | G | 23.7 | Very low | 36.2 | Very low | 76 Ų | 76 | 107.3 Ų | 107.3 | 78% | 0.784 | 65% | 0.65 | S | S | * | * | trans | -153 | 41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I887 | G885-I887 PolarHBondContact O-N 3.01Š| ||
| 886 | D | 27.7 | Very low | 38.8 | Very low | 153 Ų | 153 | 102.6 Ų | 102.6 | 82% | 0.818 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 122.7 | 170.4 | -113.6 | -25.4 | 0 | 0 | 0 | 110.1 | ||
| 887 | I | 28.9 | Very low | 41.4 | Very low | 153 Ų | 153 | 96 Ų | 96 | 79% | 0.785 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 173.3 | -17.6 | 146.8 | -86.4 | 151.4 | 0 | 0 | 0 | 112.4 | G885 H889 | G885-I887 PolarHBondContact O-N 3.01Å; I887-H889 PolarHBondContact O-N 3.24Å |
| 888 | H | 29.4 | Very low | 44 | Very low | 110 Ų | 110 | 90.3 Ų | 90.3 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -83.7 | 106.3 | -178.1 | -88.1 | -84.2 | 0 | 0 | 0 | 113.3 | ||
| 889 | H | 35.4 | Very low | 46.8 | Very low | 109 Ų | 109 | 92.1 Ų | 92.1 | 51% | 0.505 | 52% | 0.523 | S | S | . | . | trans | 76 | 57 | 162.6 | -53.7 | -69.8 | 0 | 0 | 0 | 119.1 | I887 M891 | I887-H889 PolarHBondContact O-N 3.24Å; H889-M891 HydrophobicContact CB-CG 4.28Å; H889-M891 PolarHBondContact O-N 2.88Å | ||
| 890 | K | 35.8 | Very low | 49.9 | Very low | 195 Ų | 195 | 84.8 Ų | 84.8 | 85% | 0.848 | 49% | 0.485 | S | S | * | . | trans | -68.5 | 73.9 | 134.2 | -80.2 | 179.3 | -178.1 | 165.1 | 0 | 107.8 | F892 | K890-F892 PolarHBondContact O-N 3.37Š| ||
| 891 | M | 42.4 | Very low | 53.1 | Low | 92 Ų | 92 | 84.9 Ų | 84.9 | 45% | 0.453 | 46% | 0.463 | S | S | . | . | trans | -49.3 | 127.5 | 178.3 | -98.8 | -175.5 | 169.5 | 0 | 0 | 108.9 | H889 T893 R895 | H889-M891 HydrophobicContact CB-CG 4.28Å; H889-M891 PolarHBondContact O-N 2.88Å; M891-T893 PolarHBondContact O-N 2.99Å; M891-R895 PolarHBondContact SD-NH2 3.12Å | ||
| 892 | F | 50.3 | Low | 56.3 | Low | 58 Ų | 58 | 78.5 Ų | 78.5 | 25% | 0.254 | 42% | 0.424 | S | S | . | . | trans | -52 | 113.6 | 162.9 | -59.1 | -102 | 0 | 0 | 0 | 107.3 | Y859 K890 L894 R895 | Y859-F892 HydrophobicContact CD2-CB 4.39Å; Y859-F892 HydrophobicContact CD2-CD1 4.32Å; Y859-F892 HydrophobicContact CE2-CB 4.27Å; Y859-F892 AromaticContact CE2-CD1 3.86Å; Y859-F892 HydrophobicContact CE2-CD1 3.86Å; K890-F892 PolarHBondContact O-N 3.37Å; F892-L894 VanDerWaalsContact C-N 3.31Å; F892-R895 VanDerWaalsContact O-CG 3.26Å; F892-R895 WeakPolarHBondContact O-CG 3.49Å; F892-R895 PolarHBondContact O-NE 3.37Å | ||
| 893 | T | 73 | Confident | 59.6 | Low | 17 Ų | 17 | 74.1 Ų | 74.1 | 10% | 0.104 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -74.7 | -31.5 | -179.4 | 54.3 | 0 | 0 | 0 | 0 | 111.1 | P860 N862 M891 | P860-T893 WeakPolarHBondContact CD-OG1 3.49Å; P860-T893 WeakPolarHBondContact O-CB 3.28Å; P860-T893 WeakPolarHBondContact O-CG2 3.19Å; P860-T893 PolarHBondContact O-OG1 3.03Å; N862-T893 HydrophobicContact CB-CG2 4.16Å; N862-T893 WeakPolarHBondContact OD1-CG2 3.44Å; M891-T893 PolarHBondContact O-N 2.99Å |
| 894 | L | 82.8 | Confident | 63 | Low | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -87.2 | 127.7 | 170.3 | -135.2 | 94.9 | 0 | 0 | 0 | 109.7 | V834 A842 I854 Y859 P860 F892 I900 V919 V921 | V834-L894 HydrophobicContact CG1-CD2 4.37Å; V834-L894 HydrophobicContact CG2-CD2 3.41Å; V834-L894 VanDerWaalsContact CG2-CD2 3.41Å; V834-L894 HydrophobicContact CG2-CG 3.9Å; A842-L894 HydrophobicContact CB-CD2 3.52Å; I854-L894 HydrophobicContact CD1-CD2 3.71Å; Y859-L894 HydrophobicContact CD1-CB 4.06Å; Y859-L894 HydrophobicContact CD2-CB 3.7Å; Y859-L894 HydrophobicContact CE1-CB 4.08Å; Y859-L894 HydrophobicContact CE1-CD2 4.23Å; Y859-L894 HydrophobicContact CE2-CB 3.71Å; Y859-L894 HydrophobicContact CG-CB 3.88Å; P860-L894 HydrophobicContact CG-CD1 4.03Å; F892-L894 VanDerWaalsContact C-N 3.31Å; L894-I900 HydrophobicContact CD1-CG2 4.03Å; L894-V919 HydrophobicContact CD1-CB 4.41Å; L894-V919 HydrophobicContact CD1-CG1 3.47Å; L894-V919 VanDerWaalsContact CD1-CG1 3.47Å; L894-V921 HydrophobicContact CD1-CG2 4.09Å |
| 895 | R | 81.2 | Confident | 66.3 | Low | 84 Ų | 84 | 63.9 Ų | 63.9 | 32% | 0.317 | 32% | 0.323 | S | S | . | . | trans | -140.4 | 162.8 | -173.1 | -51.8 | 175.4 | 179.6 | 178.4 | -9.1 | 110 | R364 V834 M891 F892 G897 D898 | R364-R895 VanDerWaalsContact NH1-C 3.31Å; V834-R895 WeakPolarHBondContact CB-O 3.42Å; V834-R895 WeakPolarHBondContact CG1-O 3.29Å; M891-R895 PolarHBondContact SD-NH2 3.12Å; F892-R895 VanDerWaalsContact O-CG 3.26Å; F892-R895 WeakPolarHBondContact O-CG 3.49Å; F892-R895 PolarHBondContact O-NE 3.37Å; R895-G897 PolarHBondContact O-N 2.63Å; R895-D898 WeakPolarHBondContact CB-OD2 3.19Å; R895-D898 PolarHBondContact N-OD2 3.43Å; R895-D898 WeakPolarHBondContact O-CB 3.18Å; R895-D898 PolarHBondContact O-N 3.03Å | ||
| 896 | L | 81.4 | Confident | 69.6 | Low | 18 Ų | 18 | 61.5 Ų | 61.5 | 9% | 0.094 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 131.9 | -173.4 | -174.7 | 77.3 | 0 | 0 | 0 | 111.9 | N361 R364 L365 E835 V837 D898 | N361-L896 HydrophobicContact CB-CD2 4.19Å; N361-L896 WeakPolarHBondContact O-CD2 3.32Å; R364-L896 HydrophobicContact CB-CB 4.11Å; R364-L896 HydrophobicContact CB-CD2 4.18Å; R364-L896 WeakPolarHBondContact CD-O 3.38Å; R364-L896 PolarHBondContact NH1-O 3.18Å; L365-L896 HydrophobicContact CB-CD2 4.18Å; E835-L896 WeakPolarHBondContact O-CD1 3.44Å; V837-L896 HydrophobicContact CG2-CB 4.49Å; L896-D898 VanDerWaalsContact C-N 3.3Å |
| 897 | G | 77.4 | Confident | 72.6 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -7.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V834 R895 R899 | V834-G897 WeakPolarHBondContact O-CA 3.45Å; V834-G897 PolarHBondContact O-N 2.82Å; R895-G897 PolarHBondContact O-N 2.63Å; G897-R899 PolarHBondContact O-N 3.48Å |
| 898 | D | 83.3 | Confident | 75.6 | Confident | 18 Ų | 18 | 52 Ų | 52 | 10% | 0.096 | 25% | 0.251 | C | S | . | . | trans | -59.7 | 133.2 | 177.3 | -67.7 | -1.3 | 0 | 0 | 0 | 110.2 | R364 R833 V834 R895 L896 V921 | R364-D898 IonicContact CZ-OD1 3.38Å; R364-D898 IonicContact NH1-OD1 2.83Å; R364-D898 PolarHBondContact NH1-OD1 3.3Å; R833-D898 WeakPolarHBondContact CA-O 3.39Å; V834-D898 HydrophobicContact CG2-CB 4.15Å; V834-D898 PolarHBondContact N-O 3.47Å; R895-D898 WeakPolarHBondContact CB-OD2 3.19Å; R895-D898 PolarHBondContact N-OD2 3.43Å; R895-D898 WeakPolarHBondContact O-CB 3.18Å; R895-D898 PolarHBondContact O-N 3.03Å; L896-D898 VanDerWaalsContact C-N 3.3Å; D898-V921 HydrophobicContact CB-CG1 4.2Å | ||
| 899 | R | 83.3 | Confident | 78.2 | Confident | 116 Ų | 116 | 51.8 Ų | 51.8 | 44% | 0.438 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 133.1 | 169.8 | -65.9 | 180 | 76.4 | -169.5 | 8.2 | 108.1 | G832 G897 V921 M922 | G832-R899 CarbonylContact O-C 3.59Å; G832-R899 WeakPolarHBondContact O-CA 3.29Å; G897-R899 PolarHBondContact O-N 3.48Å; R899-V921 CarbonylContact O-C 3.55Å; R899-V921 WeakPolarHBondContact O-CA 3.44Å; R899-M922 HydrophobicContact CB-CB 4.08Å; R899-M922 PolarHBondContact O-N 2.97Å |
| 900 | I | 88.7 | Confident | 80.6 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 153.1 | -176.5 | 68.2 | 164 | 0 | 0 | 0 | 111.9 | K831 G832 V834 C844 I854 L894 A902 L916 V919 F920 | K831-I900 CarbonylContact C-O 3.57Å; K831-I900 VanDerWaalsContact CA-O 3.25Å; K831-I900 WeakPolarHBondContact CA-O 3.44Å; G832-I900 PolarHBondContact N-O 3.32Å; G832-I900 PolarHBondContact O-N 3.03Å; V834-I900 HydrophobicContact CG2-CG2 3.98Å; C844-I900 HydrophobicContact CB-CD1 4.01Å; C844-I900 WeakPolarHBondContact SG-CD1 3.3Å; I854-I900 HydrophobicContact CD1-CD1 3.46Å; I854-I900 VanDerWaalsContact CD1-CD1 3.46Å; L894-I900 HydrophobicContact CD1-CG2 4.03Å; I900-A902 HydrophobicContact CD1-CB 4.15Å; I900-L916 HydrophobicContact CD1-CD1 4.16Å; I900-V919 HydrophobicContact CB-CG1 4Å; I900-V919 HydrophobicContact CD1-CG1 4Å; I900-V919 HydrophobicContact CG2-CG1 4.01Å; I900-F920 CarbonylContact C-O 3.51Å; I900-F920 WeakPolarHBondContact CA-O 3.49Å |
| 901 | K | 90.2 | Very high | 82.8 | Confident | 82 Ų | 82 | 51.8 Ų | 51.8 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 128.9 | 158.3 | -170.4 | 178 | 179.6 | -174.5 | 0 | 107.9 | V830 F920 M922 | V830-K901 WeakPolarHBondContact O-CA 3.5Å; K901-F920 PolarHBondContact N-O 3Å; K901-F920 PolarHBondContact O-N 2.97Å; K901-M922 HydrophobicContact CB-CG 4.38Å; K901-M922 HydrophobicContact CB-SD 4.31Å |
| 902 | A | 93.5 | Very high | 84.8 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 166.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q829 V830 I900 L916 V919 | Q829-A902 WeakPolarHBondContact CA-O 3.07Å; V830-A902 PolarHBondContact N-O 3.16Å; V830-A902 PolarHBondContact O-N 2.83Å; I900-A902 HydrophobicContact CD1-CB 4.15Å; A902-L916 HydrophobicContact CB-CB 4.06Å; A902-L916 HydrophobicContact CB-CD1 3.97Å; A902-L916 HydrophobicContact CB-CD2 4.44Å; A902-L916 HydrophobicContact CB-CG 4.38Å; A902-V919 HydrophobicContact CB-CG2 4.05Å |
| 903 | T | 94.9 | Very high | 86.6 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 10% | 0.104 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 139.4 | 174.2 | -54.8 | 0 | 0 | 0 | 0 | 109.2 | M828 S905 L916 H917 | M828-T903 CarbonylContact O-C 3.48Å; M828-T903 WeakPolarHBondContact O-CA 3.4Å; T903-S905 PolarHBondContact O-N 3.01Å; T903-L916 WeakPolarHBondContact O-CA 3.44Å; T903-H917 PolarHBondContact N-O 2.87Å; T903-H917 PolarHBondContact O-CD2 2.77Å; T903-H917 VanDerWaalsContact O-CD2 3.24Å; T903-H917 PolarHBondContact O-N 3.13Å |
| 904 | V | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 112.7 | 174.8 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | L824 K826 G827 M828 V830 V907 V914 L916 | L824-V904 HydrophobicContact CD2-CG2 4.44Å; K826-V904 CarbonylContact C-O 3.56Å; K826-V904 WeakPolarHBondContact CA-O 3.39Å; G827-V904 PolarHBondContact N-O 3.04Å; M828-V904 HydrophobicContact CB-CB 4.48Å; M828-V904 HydrophobicContact CB-CG2 4.25Å; M828-V904 PolarHBondContact O-N 3.12Å; V830-V904 HydrophobicContact CG1-CG2 3.87Å; V830-V904 HydrophobicContact CG2-CG2 4.17Å; V904-V907 HydrophobicContact CG1-CG2 3.38Å; V904-V914 HydrophobicContact CG1-CG1 4.34Å; V904-L916 HydrophobicContact CG2-CD2 4.09Å |
| 905 | S | 95.2 | Very high | 88.1 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -29.9 | 179.3 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | K826 T903 A915 H917 | K826-S905 VanDerWaalsContact CD-O 3.27Å; K826-S905 WeakPolarHBondContact CD-O 3.38Å; K826-S905 WeakPolarHBondContact CE-O 3.42Å; K826-S905 WeakPolarHBondContact CG-O 3.46Å; T903-S905 PolarHBondContact O-N 3.01Å; S905-A915 PolarHBondContact N-O 2.97Å; S905-A915 WeakPolarHBondContact OG-CB 3.37Å; S905-A915 PolarHBondContact OG-O 3.34Å; S905-A915 VanDerWaalsContact OG-O 3.05Å; S905-H917 WeakPolarHBondContact CB-CD2 2.94Å |
| 906 | G | 92.9 | Very high | 88.8 | Confident | 26 Ų | 26 | 54.2 Ų | 54.2 | 27% | 0.268 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 147 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A915 | G906-A915 PolarHBondContact N-O 2.98Å; G906-A915 PolarHBondContact O-N 3.1Å |
| 907 | V | 91 | Very high | 89.4 | Confident | 45 Ų | 45 | 55.6 Ų | 55.6 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 124 | 175.5 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | I821 L824 V904 I909 R913 | I821-V907 HydrophobicContact CD1-CG1 4.47Å; I821-V907 HydrophobicContact CG1-CG1 3.94Å; L824-V907 HydrophobicContact CB-CG2 3.81Å; V904-V907 HydrophobicContact CG1-CG2 3.38Å; V907-I909 HydrophobicContact CG1-CG1 4.1Å; V907-R913 WeakPolarHBondContact CA-O 3.19Å |
| 908 | D | 89.9 | Confident | 90 | Very high | 61 Ų | 61 | 61.5 Ų | 61.5 | 33% | 0.326 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 100.7 | 170.2 | -168.8 | -44.4 | 0 | 0 | 0 | 108.3 | K910 Y911 K912 R913 | D908-K910 VanDerWaalsContact C-N 3.28Å; D908-K910 PolarHBondContact O-N 3.41Å; D908-K910 WeakPolarHBondContact OD1-CB 3.36Å; D908-K910 PolarHBondContact OD1-N 3.07Å; D908-Y911 WeakPolarHBondContact OD1-CD2 3.37Å; D908-Y911 PolarHBondContact OD1-N 3.23Å; D908-Y911 VanDerWaalsContact OD2-CD2 3.27Å; D908-Y911 WeakPolarHBondContact OD2-CD2 3.41Å; D908-K912 CarbonylContact O-C 3.58Å; D908-K912 WeakPolarHBondContact O-CA 3.43Å; D908-K912 PolarHBondContact O-N 3.18Å; D908-R913 HydrophobicContact CB-CB 4.24Å; D908-R913 PolarHBondContact N-O 3.33Å; D908-R913 PolarHBondContact O-N 2.95Å |
| 909 | I | 85.4 | Confident | 90.4 | Very high | 107 Ų | 107 | 61 Ų | 61 | 55% | 0.549 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -34 | -177.6 | -59.5 | 174.3 | 0 | 0 | 0 | 110.5 | V907 K912 | V907-I909 HydrophobicContact CG1-CG1 4.1Å; I909-K912 PolarHBondContact O-N 3.39Å |
| 910 | K | 84.5 | Confident | 90.7 | Very high | 164 Ų | 164 | 62 Ų | 62 | 71% | 0.713 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -44.4 | -175.8 | -178.3 | -178.9 | 179.4 | 179.4 | 0 | 111.6 | D908 | D908-K910 VanDerWaalsContact C-N 3.28Å; D908-K910 PolarHBondContact O-N 3.41Å; D908-K910 WeakPolarHBondContact OD1-CB 3.36Å; D908-K910 PolarHBondContact OD1-N 3.07Å |
| 911 | Y | 82.8 | Confident | 90.5 | Very high | 140 Ų | 140 | 64.8 Ų | 64.8 | 55% | 0.549 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 5.3 | 177.5 | -59 | -65.7 | 0 | 0 | 0 | 113.2 | D908 R913 | D908-Y911 WeakPolarHBondContact OD1-CD2 3.37Å; D908-Y911 PolarHBondContact OD1-N 3.23Å; D908-Y911 VanDerWaalsContact OD2-CD2 3.27Å; D908-Y911 WeakPolarHBondContact OD2-CD2 3.41Å; Y911-R913 PolarHBondContact O-N 3.46Å |
| 912 | K | 83.5 | Confident | 89.9 | Confident | 90 Ų | 90 | 63.8 Ų | 63.8 | 39% | 0.391 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 55.3 | -174.3 | -49.1 | -171.1 | 168.7 | -153.9 | 0 | 112.9 | I821 E849 E850 D908 I909 | I821-K912 HydrophobicContact CD1-CB 4.18Å; E849-K912 IonicContact OE2-NZ 3.28Å; E849-K912 PolarHBondContact OE2-NZ 2.87Å; E850-K912 HydrophobicContact CG-CB 3.57Å; E850-K912 HydrophobicContact CG-CD 4.24Å; E850-K912 WeakPolarHBondContact CG-O 3.31Å; D908-K912 CarbonylContact O-C 3.58Å; D908-K912 WeakPolarHBondContact O-CA 3.43Å; D908-K912 PolarHBondContact O-N 3.18Å; I909-K912 PolarHBondContact O-N 3.39Å |
| 913 | R | 88.7 | Confident | 88.4 | Confident | 176 Ų | 176 | 73.7 Ų | 73.7 | 66% | 0.664 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.9 | 178.7 | -63.4 | -178.2 | 178.6 | 176.7 | -2.3 | 110.4 | V907 D908 Y911 | V907-R913 WeakPolarHBondContact CA-O 3.19Å; D908-R913 HydrophobicContact CB-CB 4.24Å; D908-R913 PolarHBondContact N-O 3.33Å; D908-R913 PolarHBondContact O-N 2.95Å; Y911-R913 PolarHBondContact O-N 3.46Å |
| 914 | V | 92.2 | Very high | 88 | Confident | 5 Ų | 5 | 76.5 Ų | 76.5 | 3% | 0.03 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129.7 | 171 | -174.8 | 0 | 0 | 0 | 0 | 107.6 | I821 L824 I846 A852 Y853 V904 L916 | I821-V914 HydrophobicContact CD1-CG2 3.66Å; I821-V914 HydrophobicContact CG1-CG2 3.82Å; L824-V914 HydrophobicContact CD1-CB 4.49Å; L824-V914 HydrophobicContact CD1-CG1 3.93Å; L824-V914 HydrophobicContact CD1-CG2 3.71Å; I846-V914 HydrophobicContact CD1-CG1 4.07Å; A852-V914 CarbonylContact C-O 3.53Å; A852-V914 WeakPolarHBondContact CA-O 3.45Å; A852-V914 HydrophobicContact CB-CB 3.87Å; A852-V914 HydrophobicContact CB-CG1 3.81Å; Y853-V914 PolarHBondContact N-O 3.07Å; V904-V914 HydrophobicContact CG1-CG1 4.34Å; V914-L916 HydrophobicContact CG1-CD2 4.22Å |
| 915 | A | 95.2 | Very high | 87.7 | Confident | 30 Ų | 30 | 80.5 Ų | 80.5 | 25% | 0.248 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 140.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y853 S905 G906 | Y853-A915 WeakPolarHBondContact O-CA 3.49Å; S905-A915 PolarHBondContact N-O 2.97Å; S905-A915 WeakPolarHBondContact OG-CB 3.37Å; S905-A915 PolarHBondContact OG-O 3.34Å; S905-A915 VanDerWaalsContact OG-O 3.05Å; G906-A915 PolarHBondContact N-O 2.98Å; G906-A915 PolarHBondContact O-N 3.1Å |
| 916 | L | 95.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 83 Ų | 83 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 152.4 | 178.5 | -58.3 | 179.9 | 0 | 0 | 0 | 110.7 | V830 C844 I846 A852 Y853 I854 I900 A902 T903 V904 V914 | V830-L916 HydrophobicContact CG2-CD2 3.75Å; C844-L916 HydrophobicContact CB-CD1 4.42Å; I846-L916 HydrophobicContact CG2-CD1 3.95Å; A852-L916 HydrophobicContact CB-CD1 3.58Å; A852-L916 HydrophobicContact CB-CD2 4.07Å; A852-L916 HydrophobicContact CB-CG 3.61Å; Y853-L916 PolarHBondContact O-N 3.27Å; I854-L916 HydrophobicContact CD1-CD1 4.18Å; I854-L916 HydrophobicContact CG1-CB 3.77Å; I854-L916 HydrophobicContact CG1-CD1 4.03Å; I854-L916 HydrophobicContact CG1-CG 4.39Å; I900-L916 HydrophobicContact CD1-CD1 4.16Å; A902-L916 HydrophobicContact CB-CB 4.06Å; A902-L916 HydrophobicContact CB-CD1 3.97Å; A902-L916 HydrophobicContact CB-CD2 4.44Å; A902-L916 HydrophobicContact CB-CG 4.38Å; T903-L916 WeakPolarHBondContact O-CA 3.44Å; V904-L916 HydrophobicContact CG2-CD2 4.09Å; V914-L916 HydrophobicContact CG1-CD2 4.22Å |
| 917 | H | 94.1 | Very high | 86.9 | Confident | 46 Ų | 46 | 86.4 Ų | 86.4 | 21% | 0.213 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 173.6 | 173.6 | 78.8 | 129.5 | 0 | 0 | 0 | 110.2 | E858 T903 S905 | E858-H917 HydrophobicContact CG-CB 4.14Å; E858-H917 WeakPolarHBondContact OE2-CA 3.38Å; E858-H917 WeakPolarHBondContact OE2-CB 3.47Å; T903-H917 PolarHBondContact N-O 2.87Å; T903-H917 PolarHBondContact O-CD2 2.77Å; T903-H917 VanDerWaalsContact O-CD2 3.24Å; T903-H917 PolarHBondContact O-N 3.13Å; S905-H917 WeakPolarHBondContact CB-CD2 2.94Å |
| 918 | K | 91.1 | Very high | 86.7 | Confident | 128 Ų | 128 | 88.9 Ų | 88.9 | 56% | 0.557 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.3 | 57.8 | -177.2 | -63.3 | 177.7 | 177.4 | -175.6 | 0 | 111.7 | E858 F920 | E858-K918 PolarHBondContact OE2-N 3.39Å; K918-F920 HydrophobicContact CB-CE2 4.46Å; K918-F920 VanDerWaalsContact O-CD2 3.32Å; K918-F920 WeakPolarHBondContact O-CD2 3.44Å; K918-F920 WeakPolarHBondContact O-CE2 3.36Å |
| 919 | V | 91 | Very high | 86.5 | Confident | 7 Ų | 7 | 90.8 Ų | 90.8 | 4% | 0.042 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 132.5 | -172.4 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | I854 L894 I900 A902 | I854-V919 HydrophobicContact CD1-CG1 4.23Å; I854-V919 HydrophobicContact CD1-CG2 4.04Å; I854-V919 HydrophobicContact CG1-CG2 4.06Å; I854-V919 HydrophobicContact CG2-CG2 3.82Å; L894-V919 HydrophobicContact CD1-CB 4.41Å; L894-V919 HydrophobicContact CD1-CG1 3.47Å; L894-V919 VanDerWaalsContact CD1-CG1 3.47Å; I900-V919 HydrophobicContact CB-CG1 4Å; I900-V919 HydrophobicContact CD1-CG1 4Å; I900-V919 HydrophobicContact CG2-CG1 4.01Å; A902-V919 HydrophobicContact CB-CG2 4.05Å |
| 920 | F | 89.5 | Confident | 86.5 | Confident | 138 Ų | 138 | 89.6 Ų | 89.6 | 61% | 0.605 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.6 | 174.3 | -60.1 | -89.2 | 0 | 0 | 0 | 109.3 | I900 K901 K918 | I900-F920 CarbonylContact C-O 3.51Å; I900-F920 WeakPolarHBondContact CA-O 3.49Å; K901-F920 PolarHBondContact N-O 3Å; K901-F920 PolarHBondContact O-N 2.97Å; K918-F920 HydrophobicContact CB-CE2 4.46Å; K918-F920 VanDerWaalsContact O-CD2 3.32Å; K918-F920 WeakPolarHBondContact O-CD2 3.44Å; K918-F920 WeakPolarHBondContact O-CE2 3.36Å |
| 921 | V | 84.4 | Confident | 86.7 | Confident | 59 Ų | 59 | 83.9 Ų | 83.9 | 36% | 0.358 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 128.2 | 171.8 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | P860 L894 D898 R899 | P860-V921 HydrophobicContact CG-CG2 3.93Å; L894-V921 HydrophobicContact CD1-CG2 4.09Å; D898-V921 HydrophobicContact CB-CG1 4.2Å; R899-V921 CarbonylContact O-C 3.55Å; R899-V921 WeakPolarHBondContact O-CA 3.44Å |
| 922 | M | 77.1 | Confident | 87 | Confident | 61 Ų | 61 | 79.3 Ų | 79.3 | 30% | 0.3 | 39% | 0.392 | S | S | . | . | trans | -85.9 | 123 | 175.2 | -60.9 | 180 | 58.5 | 0 | 0 | 108 | K831 R899 K901 | K831-M922 HydrophobicContact CD-CE 4.36Å; K831-M922 HydrophobicContact CD-SD 4.15Å; K831-M922 HydrophobicContact CG-SD 4.25Å; R899-M922 HydrophobicContact CB-CB 4.08Å; R899-M922 PolarHBondContact O-N 2.97Å; K901-M922 HydrophobicContact CB-CG 4.38Å; K901-M922 HydrophobicContact CB-SD 4.31Å | ||
| 923 | T | 62.2 | Low | 87.3 | Confident | 210 Ų | 210 | 78.3 Ų | 78.3 | 100% | 1.288 | 39% | 0.392 | S | S | * | . | trans | -74.9 | 0 | 173.8 | 51.2 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 923 of 923 residues in 212.1 ms
(Link to these results)