| 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 | 31.9 | Very low | 33.8 | Very low | 242 Ų | 242 | 149.3 Ų | 149.3 | 100% | 1.192 | 74% | 0.741 | S | S | * | * | 0 | 103.4 | 0 | -108.4 | -177.5 | -86.7 | 0 | 0 | 107.3 | S3 | M1-S3 PolarHBondContact O-N 3.24Š| |||
| 2 | F | 29.5 | Very low | 34.3 | Very low | 207 Ų | 207 | 156.3 Ų | 156.3 | 91% | 0.908 | 75% | 0.753 | S | S | * | * | trans | -77.4 | 114.5 | -179.2 | -81.6 | -90.2 | 0 | 0 | 0 | 109.3 | ||||
| 3 | S | 26.4 | Very low | 35.3 | Very low | 106 Ų | 106 | 146.9 Ų | 146.9 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | trans | -87 | 110.3 | 171.3 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | M1 V5 | M1-S3 PolarHBondContact O-N 3.24Å; S3-V5 PolarHBondContact O-N 3.27Å | ||
| 4 | W | 28.5 | Very low | 36 | Very low | 236 Ų | 236 | 152.1 Ų | 152.1 | 89% | 0.894 | 73% | 0.727 | S | S | * | * | trans | -77.8 | 98.6 | 168.4 | -83.5 | 68.5 | 0 | 0 | 0 | 108.8 | ||||
| 5 | V | 29.4 | Very low | 36.8 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 75% | 0.745 | 71% | 0.709 | S | S | * | * | trans | -85.7 | 112.1 | 164.1 | 178.4 | 0 | 0 | 0 | 0 | 107.3 | S3 Q7 | S3-V5 PolarHBondContact O-N 3.27Å; V5-Q7 PolarHBondContact O-N 2.97Å; V5-Q7 VanDerWaalsContact O-N 3.13Å | ||
| 6 | K | 30.8 | Very low | 37.5 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 74% | 0.735 | 71% | 0.711 | S | S | * | * | trans | -59.1 | 110.9 | 171.5 | -88.5 | -178.9 | 168.9 | -172.4 | 0 | 109.8 | E8 | K6-E8 PolarHBondContact O-N 3.34Š| ||
| 7 | Q | 35.3 | Very low | 38.4 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 86% | 0.86 | 68% | 0.684 | S | S | * | * | trans | -73.2 | 93.4 | 157.7 | -90.8 | 177 | -30.6 | 0 | 0 | 108.6 | V5 | V5-Q7 PolarHBondContact O-N 2.97Å; V5-Q7 VanDerWaalsContact O-N 3.13Å | ||
| 8 | E | 36.1 | Very low | 39.4 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 77% | 0.766 | 68% | 0.678 | S | S | * | * | trans | -100.1 | 78.6 | 156 | -78.8 | -176.4 | -176.8 | 0 | 0 | 107.6 | K6 | K6-E8 PolarHBondContact O-N 3.34Š| ||
| 9 | Q | 42 | Very low | 41.1 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 72% | 0.715 | 65% | 0.645 | S | S | * | * | trans | -128.3 | 98.6 | 168.4 | -73.5 | -170 | 11 | 0 | 0 | 108.5 | ||||
| 10 | G | 39.4 | Very low | 42.6 | Very low | 29 Ų | 29 | 131.9 Ų | 131.9 | 30% | 0.299 | 65% | 0.649 | S | S | . | * | trans | -171 | 112.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | R12 | G10-R12 PolarHBondContact O-N 3.38Å; G10-R12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | G | 42.2 | Very low | 44.5 | Very low | 29 Ų | 29 | 128.6 Ų | 128.6 | 30% | 0.299 | 64% | 0.636 | S | S | . | * | trans | -60.7 | 113.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N13 | G11-N13 PolarHBondContact O-N 3.35Š| ||
| 12 | R | 39.4 | Very low | 46.9 | Very low | 234 Ų | 234 | 117.1 Ų | 117.1 | 88% | 0.883 | 58% | 0.58 | S | S | * | * | trans | -69.4 | 123.1 | 178.3 | -90.9 | -179.7 | 173 | 157.3 | -0.2 | 110.3 | G10 | G10-R12 PolarHBondContact O-N 3.38Å; G10-R12 VanDerWaalsContact O-N 3.13Å | ||
| 13 | N | 47.7 | Very low | 49.6 | Very low | 34 Ų | 34 | 109.6 Ų | 109.6 | 18% | 0.182 | 55% | 0.551 | C | S | . | * | trans | -98.2 | 150.9 | 166 | -135.7 | -14.5 | 0 | 0 | 0 | 110.4 | G11 E15 G16 V393 | G11-N13 PolarHBondContact O-N 3.35Å; N13-E15 PolarHBondContact O-N 2.81Å; N13-G16 PolarHBondContact O-N 3Å; N13-V393 VanDerWaalsContact CG-CG2 3.44Å; N13-V393 WeakPolarHBondContact ND2-CG2 3.36Å; N13-V393 WeakPolarHBondContact OD1-CG2 3.27Å | ||
| 14 | K | 44.7 | Very low | 52.5 | Low | 220 Ų | 220 | 108 Ų | 108 | 96% | 0.957 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -5.9 | -178.1 | -76.9 | -176.2 | 177 | 178.7 | 0 | 115.1 | ||
| 15 | E | 48.1 | Very low | 55.5 | Low | 99 Ų | 99 | 96.8 Ų | 96.8 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | 9.4 | -180 | -63.2 | -174.1 | 159.1 | 0 | 0 | 114 | N13 E17 K385 K390 | N13-E15 PolarHBondContact O-N 2.81Å; E15-E17 VanDerWaalsContact C-N 3.31Å; E15-E17 PolarHBondContact O-N 2.95Å; E15-K385 WeakPolarHBondContact OE1-CE 3Å; E15-K385 IonicContact OE1-NZ 2.85Å; E15-K385 PolarHBondContact OE1-NZ 3.32Å; E15-K385 IonicContact OE2-NZ 3.71Å; E15-K390 WeakPolarHBondContact OE2-CE 3.3Å; E15-K390 IonicContact OE2-NZ 3.55Å; E15-K390 PolarHBondContact OE2-NZ 3.28Å |
| 16 | G | 48.3 | Very low | 58.4 | Low | 72 Ų | 72 | 91 Ų | 91 | 74% | 0.742 | 45% | 0.454 | S | S | * | . | trans | 78.1 | 1.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | N13 M18 | N13-G16 PolarHBondContact O-N 3Å; G16-M18 PolarHBondContact O-N 3.07Å | ||
| 17 | E | 53.4 | Low | 61.4 | Low | 52 Ų | 52 | 85.7 Ų | 85.7 | 24% | 0.243 | 43% | 0.432 | C | S | . | . | trans | -78 | 113.5 | 170.9 | -68.4 | 175.5 | 146.5 | 0 | 0 | 109.6 | E15 K390 | E15-E17 VanDerWaalsContact C-N 3.31Å; E15-E17 PolarHBondContact O-N 2.95Å; E17-K390 IonicContact OE2-NZ 3.56Å; E17-K390 PolarHBondContact OE2-NZ 3.47Å | ||
| 18 | M | 56.8 | Low | 64.2 | Low | 118 Ų | 118 | 78.4 Ų | 78.4 | 58% | 0.581 | 40% | 0.4 | S | S | * | . | trans | -102.3 | 123.7 | 174.1 | -170.4 | -173.2 | -71.8 | 0 | 0 | 108.1 | G16 | G16-M18 PolarHBondContact O-N 3.07Š| ||
| 19 | Y | 71.1 | Confident | 67 | Low | 11 Ų | 11 | 70.6 Ų | 70.6 | 4% | 0.043 | 36% | 0.364 | C | S | . | . | trans | -102.1 | 137.8 | 173 | -53 | -64.5 | 0 | 0 | 0 | 109 | G25 T28 L394 M397 | Y19-G25 VanDerWaalsContact CD1-CA 3.48Å; Y19-T28 HydrophobicContact CE1-CG2 3.95Å; Y19-L394 HydrophobicContact CD2-CD2 4.12Å; Y19-L394 HydrophobicContact CE2-CD2 4.34Å; Y19-M397 HydrophobicContact CD2-SD 4.33Å | ||
| 20 | Q | 71.4 | Confident | 69.5 | Low | 156 Ų | 156 | 63.4 Ų | 63.4 | 73% | 0.729 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -80.3 | -30.7 | 176.9 | -60.7 | -174.2 | -14.2 | 0 | 0 | 111.8 | E24 | Q20-E24 VanDerWaalsContact CB-OE2 3.31Å; Q20-E24 WeakPolarHBondContact CB-OE2 3.32Å; Q20-E24 PolarHBondContact N-OE2 3.19Å |
| 21 | T | 81.2 | Confident | 72.2 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 39% | 0.387 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -140.5 | 158.2 | 177.9 | 62.7 | 0 | 0 | 0 | 0 | 111.3 | T23 E24 G25 | T21-T23 VanDerWaalsContact C-N 3.27Å; T21-T23 PolarHBondContact O-N 3.29Å; T21-E24 PolarHBondContact O-N 3.31Å; T21-E24 WeakPolarHBondContact OG1-CB 3.36Å; T21-E24 PolarHBondContact OG1-N 2.78Å; T21-G25 PolarHBondContact O-N 3.22Å; T21-G25 VanDerWaalsContact O-N 3.11Å |
| 22 | V | 84.2 | Confident | 74.7 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.5 | -39.8 | 173 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | E24 G25 L26 A291 M397 I398 E401 | V22-E24 PolarHBondContact O-N 2.84Å; V22-G25 PolarHBondContact O-N 3.26Å; V22-L26 HydrophobicContact CG1-CD1 4.12Å; V22-L26 HydrophobicContact CG1-CG 4.32Å; V22-L26 WeakPolarHBondContact O-CG 3.37Å; V22-L26 PolarHBondContact O-N 2.85Å; V22-A291 HydrophobicContact CB-CB 4.47Å; V22-A291 HydrophobicContact CG1-CB 3.95Å; V22-M397 HydrophobicContact CG2-CB 3.85Å; V22-I398 HydrophobicContact CB-CG1 4.29Å; V22-I398 HydrophobicContact CG1-CD1 3.99Å; V22-I398 HydrophobicContact CG1-CG1 3.65Å; V22-I398 HydrophobicContact CG2-CG1 3.72Å; V22-E401 WeakPolarHBondContact CG2-OE2 3.41Å; V22-E401 PolarHBondContact N-OE1 2.99Å |
| 23 | T | 84.6 | Confident | 77.4 | Confident | 48 Ų | 48 | 61.1 Ų | 61.1 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 179.7 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | T21 G25 L26 Q27 F56 Q57 | T21-T23 VanDerWaalsContact C-N 3.27Å; T21-T23 PolarHBondContact O-N 3.29Å; T23-G25 VanDerWaalsContact C-N 3.3Å; T23-G25 PolarHBondContact O-N 3.17Å; T23-L26 PolarHBondContact O-N 2.97Å; T23-Q27 PolarHBondContact O-N 3.28Å; T23-F56 HydrophobicContact CG2-CB 3.86Å; T23-F56 WeakPolarHBondContact CG2-O 3.17Å; T23-Q57 HydrophobicContact CG2-CG 4.44Å |
| 24 | E | 88.3 | Confident | 79.8 | Confident | 73 Ų | 73 | 59.5 Ų | 59.5 | 34% | 0.341 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 174.8 | -175.3 | -169.9 | -170.2 | 0 | 0 | 111.2 | Q20 T21 V22 Q27 T28 | Q20-E24 VanDerWaalsContact CB-OE2 3.31Å; Q20-E24 WeakPolarHBondContact CB-OE2 3.32Å; Q20-E24 PolarHBondContact N-OE2 3.19Å; T21-E24 PolarHBondContact O-N 3.31Å; T21-E24 WeakPolarHBondContact OG1-CB 3.36Å; T21-E24 PolarHBondContact OG1-N 2.78Å; V22-E24 PolarHBondContact O-N 2.84Å; E24-Q27 PolarHBondContact O-N 3.23Å; E24-T28 VanDerWaalsContact O-CB 3.3Å; E24-T28 WeakPolarHBondContact O-CB 3.02Å; E24-T28 PolarHBondContact O-N 3.08Å; E24-T28 PolarHBondContact O-OG1 3.26Å |
| 25 | G | 90.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y19 T21 V22 T23 T28 L29 | Y19-G25 VanDerWaalsContact CD1-CA 3.48Å; T21-G25 PolarHBondContact O-N 3.22Å; T21-G25 VanDerWaalsContact O-N 3.11Å; V22-G25 PolarHBondContact O-N 3.26Å; T23-G25 VanDerWaalsContact C-N 3.3Å; T23-G25 PolarHBondContact O-N 3.17Å; G25-T28 PolarHBondContact O-N 3.04Å; G25-L29 WeakPolarHBondContact O-CG 3.32Å; G25-L29 PolarHBondContact O-N 3.34Å |
| 26 | L | 91.8 | Very high | 84.8 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 176.3 | -72.9 | 171.7 | 0 | 0 | 0 | 112 | V22 T23 T28 L29 Y30 F56 K294 L295 L298 L394 | V22-L26 HydrophobicContact CG1-CD1 4.12Å; V22-L26 HydrophobicContact CG1-CG 4.32Å; V22-L26 WeakPolarHBondContact O-CG 3.37Å; V22-L26 PolarHBondContact O-N 2.85Å; T23-L26 PolarHBondContact O-N 2.97Å; L26-T28 VanDerWaalsContact C-N 3.3Å; L26-T28 PolarHBondContact O-N 3.12Å; L26-L29 PolarHBondContact O-N 3.25Å; L26-Y30 PolarHBondContact O-N 3.11Å; L26-F56 HydrophobicContact CB-CD1 3.99Å; L26-F56 HydrophobicContact CB-CE1 4.2Å; L26-K294 HydrophobicContact CD1-CB 3.83Å; L26-L295 HydrophobicContact CD2-CB 3.96Å; L26-L295 HydrophobicContact CD2-CD1 3.57Å; L26-L295 HydrophobicContact CD2-CG 4.37Å; L26-L298 HydrophobicContact CD2-CD2 3.82Å; L26-L394 HydrophobicContact CD2-CD1 3.78Å; L26-L394 HydrophobicContact CG-CD1 4.15Å |
| 27 | Q | 93.1 | Very high | 87.1 | Confident | 58 Ų | 58 | 44.2 Ų | 44.2 | 27% | 0.271 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 179.1 | -175.2 | 178.5 | 2.1 | 0 | 0 | 111.5 | T23 E24 Y30 T31 F56 | T23-Q27 PolarHBondContact O-N 3.28Å; E24-Q27 PolarHBondContact O-N 3.23Å; Q27-Y30 PolarHBondContact O-N 3.22Å; Q27-T31 WeakPolarHBondContact O-CB 3.03Å; Q27-T31 PolarHBondContact O-N 3.15Å; Q27-T31 PolarHBondContact O-OG1 3.46Å; Q27-F56 HydrophobicContact CB-CB 4.27Å; Q27-F56 HydrophobicContact CB-CD1 4.14Å; Q27-F56 HydrophobicContact CB-CD2 3.9Å; Q27-F56 HydrophobicContact CB-CE2 4.3Å; Q27-F56 HydrophobicContact CB-CG 3.82Å; Q27-F56 HydrophobicContact CG-CD2 3.78Å; Q27-F56 HydrophobicContact CG-CE2 4.09Å; Q27-F56 HydrophobicContact CG-CG 4.22Å |
| 28 | T | 93.6 | Very high | 89.3 | Confident | 30 Ų | 30 | 41.8 Ų | 41.8 | 18% | 0.184 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.7 | -44.8 | 178.7 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | Y19 E24 G25 L26 T31 K32 | Y19-T28 HydrophobicContact CE1-CG2 3.95Å; E24-T28 VanDerWaalsContact O-CB 3.3Å; E24-T28 WeakPolarHBondContact O-CB 3.02Å; E24-T28 PolarHBondContact O-N 3.08Å; E24-T28 PolarHBondContact O-OG1 3.26Å; G25-T28 PolarHBondContact O-N 3.04Å; L26-T28 VanDerWaalsContact C-N 3.3Å; L26-T28 PolarHBondContact O-N 3.12Å; T28-T31 PolarHBondContact O-N 3.4Å; T28-K32 HydrophobicContact CG2-CD 3.74Å; T28-K32 HydrophobicContact CG2-CG 4.24Å; T28-K32 VanDerWaalsContact O-CB 3.31Å; T28-K32 WeakPolarHBondContact O-CB 3.13Å; T28-K32 WeakPolarHBondContact O-CG 3.5Å; T28-K32 PolarHBondContact O-N 3.49Å |
| 29 | L | 94.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.3 | -45.2 | 175.9 | -72.2 | -173.2 | 0 | 0 | 0 | 111.3 | G25 L26 K33 L34 M386 K390 L394 | G25-L29 WeakPolarHBondContact O-CG 3.32Å; G25-L29 PolarHBondContact O-N 3.34Å; L26-L29 PolarHBondContact O-N 3.25Å; L29-K33 HydrophobicContact CD2-CG 4.33Å; L29-K33 WeakPolarHBondContact O-CA 3.29Å; L29-K33 WeakPolarHBondContact O-CB 3.31Å; L29-K33 PolarHBondContact O-N 3.43Å; L29-L34 PolarHBondContact O-N 3.15Å; L29-M386 HydrophobicContact CB-CG 4.31Å; L29-M386 HydrophobicContact CB-SD 3.99Å; L29-M386 HydrophobicContact CD1-CG 4.09Å; L29-M386 HydrophobicContact CD2-CG 4.21Å; L29-M386 HydrophobicContact CG-CG 4.45Å; L29-K390 HydrophobicContact CD1-CB 3.97Å; L29-K390 HydrophobicContact CD2-CB 3.85Å; L29-K390 HydrophobicContact CD2-CG 4.15Å; L29-L394 HydrophobicContact CD1-CD1 3.46Å; L29-L394 VanDerWaalsContact CD1-CD1 3.46Å; L29-L394 HydrophobicContact CD1-CG 4.3Å; L29-L394 HydrophobicContact CG-CD1 4.4Å |
| 30 | Y | 96 | Very high | 92.5 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -55.7 | -58.5 | 174.8 | 175.4 | -105.9 | 0 | 0 | 0 | 111.2 | L26 Q27 K32 L34 L35 E38 A50 L51 F56 L298 | L26-Y30 PolarHBondContact O-N 3.11Å; Q27-Y30 PolarHBondContact O-N 3.22Å; Y30-K32 PolarHBondContact O-N 3.18Å; Y30-L34 HydrophobicContact CD2-CB 4.1Å; Y30-L34 HydrophobicContact CD2-CD2 3.96Å; Y30-L34 HydrophobicContact CD2-CG 4.25Å; Y30-L34 HydrophobicContact CE2-CD2 4.17Å; Y30-L34 HydrophobicContact CE2-CG 4.3Å; Y30-L34 PolarHBondContact O-N 2.63Å; Y30-L35 HydrophobicContact CE1-CB 4.11Å; Y30-L35 HydrophobicContact CE1-CD1 4.22Å; Y30-L35 HydrophobicContact CE1-CD2 4.46Å; Y30-L35 PolarHBondContact O-N 2.89Å; Y30-L35 WeakPolarHBondContact OH-CD1 3.43Å; Y30-E38 WeakPolarHBondContact CE2-OE2 3.47Å; Y30-E38 PolarHBondContact OH-OE2 2.76Å; Y30-A50 VanDerWaalsContact OH-CA 3.31Å; Y30-A50 WeakPolarHBondContact OH-CA 3.42Å; Y30-L51 HydrophobicContact CD1-CB 4.02Å; Y30-L51 HydrophobicContact CD2-CD1 3.99Å; Y30-L51 HydrophobicContact CE1-CB 3.57Å; Y30-L51 HydrophobicContact CE1-CG 4.31Å; Y30-L51 WeakPolarHBondContact CE1-O 2.94Å; Y30-L51 HydrophobicContact CE2-CB 4.22Å; Y30-L51 HydrophobicContact CE2-CD1 3.98Å; Y30-L51 HydrophobicContact CE2-CG 4.06Å; Y30-L51 HydrophobicContact CG-CD1 4.37Å; Y30-L51 PolarHBondContact OH-N 3.41Å; Y30-F56 HydrophobicContact CD1-CE2 4.04Å; Y30-F56 AromaticContact CD1-CZ 3.83Å; Y30-F56 HydrophobicContact CD1-CZ 3.83Å; Y30-F56 HydrophobicContact CG-CE2 4.37Å; Y30-F56 AromaticContact CG-CZ 3.69Å; Y30-F56 HydrophobicContact CG-CZ 3.69Å; Y30-L298 HydrophobicContact CD2-CD1 3.84Å; Y30-L298 HydrophobicContact CG-CD1 4.39Å |
| 31 | T | 95.7 | Very high | 93.8 | Very high | 66 Ų | 66 | 35.3 Ų | 35.3 | 41% | 0.405 | 18% | 0.183 | S | C | . | . | I | π-helix | trans | -64.6 | -39.8 | -171.9 | -50.3 | 0 | 0 | 0 | 0 | 112.2 | Q27 T28 L35 | Q27-T31 WeakPolarHBondContact O-CB 3.03Å; Q27-T31 PolarHBondContact O-N 3.15Å; Q27-T31 PolarHBondContact O-OG1 3.46Å; T28-T31 PolarHBondContact O-N 3.4Å; T31-L35 HydrophobicContact CG2-CD2 4.32Å |
| 32 | K | 95.6 | Very high | 94.6 | Very high | 123 Ų | 123 | 35.3 Ų | 35.3 | 54% | 0.535 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -89.6 | -26.9 | -174.9 | -66.5 | -172.9 | -179.9 | 174 | 0 | 114.2 | T28 Y30 | T28-K32 HydrophobicContact CG2-CD 3.74Å; T28-K32 HydrophobicContact CG2-CG 4.24Å; T28-K32 VanDerWaalsContact O-CB 3.31Å; T28-K32 WeakPolarHBondContact O-CB 3.13Å; T28-K32 WeakPolarHBondContact O-CG 3.5Å; T28-K32 PolarHBondContact O-N 3.49Å; Y30-K32 PolarHBondContact O-N 3.18Å |
| 33 | K | 96.1 | Very high | 95.2 | Very high | 55 Ų | 55 | 35.3 Ų | 35.3 | 24% | 0.239 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -114.2 | -42.4 | -170.6 | -52 | -63.3 | 178.4 | -174.7 | 0 | 112.8 | L29 S382 V383 M386 | L29-K33 HydrophobicContact CD2-CG 4.33Å; L29-K33 WeakPolarHBondContact O-CA 3.29Å; L29-K33 WeakPolarHBondContact O-CB 3.31Å; L29-K33 PolarHBondContact O-N 3.43Å; K33-S382 VanDerWaalsContact CD-OG 3.32Å; K33-S382 WeakPolarHBondContact CD-OG 3.39Å; K33-V383 VanDerWaalsContact O-CG2 3.31Å; K33-V383 WeakPolarHBondContact O-CG2 3.48Å; K33-M386 HydrophobicContact CB-CB 4.17Å; K33-M386 HydrophobicContact CB-CG 4.34Å; K33-M386 HydrophobicContact CB-SD 3.78Å; K33-M386 HydrophobicContact CG-CB 4.33Å; K33-M386 HydrophobicContact CG-SD 4.42Å |
| 34 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -94.9 | -47.1 | -173.8 | -175.9 | 55.6 | 0 | 0 | 0 | 113 | L29 Y30 P36 L37 E38 L298 R301 A302 A305 V383 | L29-L34 PolarHBondContact O-N 3.15Å; Y30-L34 HydrophobicContact CD2-CB 4.1Å; Y30-L34 HydrophobicContact CD2-CD2 3.96Å; Y30-L34 HydrophobicContact CD2-CG 4.25Å; Y30-L34 HydrophobicContact CE2-CD2 4.17Å; Y30-L34 HydrophobicContact CE2-CG 4.3Å; Y30-L34 PolarHBondContact O-N 2.63Å; L34-P36 VanDerWaalsContact C-CD 3.48Å; L34-L37 WeakPolarHBondContact O-CA 3.49Å; L34-L37 VanDerWaalsContact O-CB 3.3Å; L34-L37 WeakPolarHBondContact O-CB 3.48Å; L34-L37 PolarHBondContact O-N 3.49Å; L34-E38 HydrophobicContact CD1-CG 4.28Å; L34-E38 WeakPolarHBondContact CD2-OE1 3.33Å; L34-E38 HydrophobicContact CG-CG 4.16Å; L34-E38 WeakPolarHBondContact CG-OE1 3.33Å; L34-E38 PolarHBondContact O-N 2.77Å; L34-L298 HydrophobicContact CD2-CD1 3.84Å; L34-R301 HydrophobicContact CD2-CG 4.2Å; L34-A302 HydrophobicContact CD1-CB 4.12Å; L34-A302 HydrophobicContact CD2-CB 3.97Å; L34-A305 HydrophobicContact CD1-CB 3.75Å; L34-V383 HydrophobicContact CD1-CG1 4.39Å; L34-V383 HydrophobicContact CD1-CG2 4.14Å |
| 35 | L | 97.9 | Very high | 95.8 | Very high | 27 Ų | 27 | 36.1 Ų | 36.1 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.3 | -42.9 | -177.6 | 178.9 | 65.4 | 0 | 0 | 0 | 113.5 | Y30 T31 L37 E38 E39 A50 | Y30-L35 HydrophobicContact CE1-CB 4.11Å; Y30-L35 HydrophobicContact CE1-CD1 4.22Å; Y30-L35 HydrophobicContact CE1-CD2 4.46Å; Y30-L35 PolarHBondContact O-N 2.89Å; Y30-L35 WeakPolarHBondContact OH-CD1 3.43Å; T31-L35 HydrophobicContact CG2-CD2 4.32Å; L35-L37 PolarHBondContact O-N 3.44Å; L35-E38 PolarHBondContact O-N 2.81Å; L35-E38 VanDerWaalsContact O-N 3.07Å; L35-E39 HydrophobicContact CD1-CG 3.86Å; L35-E39 HydrophobicContact CG-CG 4.18Å; L35-E39 WeakPolarHBondContact O-CG 3.28Å; L35-E39 PolarHBondContact O-N 3.37Å; L35-A50 HydrophobicContact CD1-CB 3.92Å |
| 36 | P | 98.4 | Very high | 95.8 | Very high | 42 Ų | 42 | 36.4 Ų | 36.4 | 27% | 0.273 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.2 | -29.9 | 177.4 | -24.7 | 35.9 | 0 | 0 | 0 | 113.8 | L34 T40 L379 | L34-P36 VanDerWaalsContact C-CD 3.48Å; P36-T40 VanDerWaalsContact O-CB 3.27Å; P36-T40 WeakPolarHBondContact O-CB 3.33Å; P36-T40 PolarHBondContact O-N 3.4Å; P36-T40 PolarHBondContact O-OG1 3.13Å; P36-L379 HydrophobicContact CB-CD2 4.15Å |
| 37 | L | 98.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.6 | -47.3 | 173.2 | -172.6 | 77.3 | 0 | 0 | 0 | 109.9 | L34 L35 E39 T40 Y41 A305 K306 A309 L379 I380 V383 | L34-L37 WeakPolarHBondContact O-CA 3.49Å; L34-L37 VanDerWaalsContact O-CB 3.3Å; L34-L37 WeakPolarHBondContact O-CB 3.48Å; L34-L37 PolarHBondContact O-N 3.49Å; L35-L37 PolarHBondContact O-N 3.44Å; L37-E39 PolarHBondContact O-N 2.87Å; L37-T40 PolarHBondContact O-N 3.21Å; L37-Y41 HydrophobicContact CD1-CD2 3.8Å; L37-Y41 HydrophobicContact CD1-CE2 3.57Å; L37-Y41 HydrophobicContact CG-CD2 4.22Å; L37-Y41 HydrophobicContact CG-CE2 4.47Å; L37-Y41 WeakPolarHBondContact O-CD2 3.19Å; L37-Y41 PolarHBondContact O-N 2.89Å; L37-A305 HydrophobicContact CD2-CB 4.24Å; L37-K306 HydrophobicContact CD2-CG 4.16Å; L37-A309 HydrophobicContact CD1-CB 4.03Å; L37-A309 HydrophobicContact CD2-CB 4.46Å; L37-A309 HydrophobicContact CG-CB 4.32Å; L37-L379 HydrophobicContact CD1-CB 3.61Å; L37-L379 HydrophobicContact CD1-CD1 4.46Å; L37-I380 HydrophobicContact CD1-CD1 3.79Å; L37-I380 HydrophobicContact CD1-CG1 4.46Å; L37-I380 HydrophobicContact CD2-CD1 4.33Å; L37-V383 HydrophobicContact CB-CG2 4.29Å; L37-V383 HydrophobicContact CD2-CG2 3.87Å |
| 38 | E | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.6 | -49 | 179 | -67.2 | -175.6 | 172.6 | 0 | 0 | 111.7 | Y30 L34 L35 L42 F43 H44 R301 A305 | Y30-E38 WeakPolarHBondContact CE2-OE2 3.47Å; Y30-E38 PolarHBondContact OH-OE2 2.76Å; L34-E38 HydrophobicContact CD1-CG 4.28Å; L34-E38 WeakPolarHBondContact CD2-OE1 3.33Å; L34-E38 HydrophobicContact CG-CG 4.16Å; L34-E38 WeakPolarHBondContact CG-OE1 3.33Å; L34-E38 PolarHBondContact O-N 2.77Å; L35-E38 PolarHBondContact O-N 2.81Å; L35-E38 VanDerWaalsContact O-N 3.07Å; E38-L42 PolarHBondContact O-N 3.38Å; E38-F43 HydrophobicContact CB-CB 3.78Å; E38-F43 HydrophobicContact CB-CD1 4.16Å; E38-F43 HydrophobicContact CB-CG 4.14Å; E38-F43 HydrophobicContact CG-CB 4.1Å; E38-F43 HydrophobicContact CG-CD1 3.86Å; E38-F43 HydrophobicContact CG-CE1 4.45Å; E38-F43 HydrophobicContact CG-CG 3.93Å; E38-F43 VanDerWaalsContact O-CB 3.31Å; E38-F43 WeakPolarHBondContact O-CB 3.33Å; E38-F43 PolarHBondContact O-N 3.34Å; E38-H44 IonicContact OE2-CE1 3.09Å; E38-H44 PolarHBondContact OE2-CE1 2.64Å; E38-H44 IonicContact OE2-NE2 3.48Å; E38-R301 WeakPolarHBondContact OE1-CD 3.42Å; E38-R301 WeakPolarHBondContact OE1-CG 3.46Å; E38-R301 IonicContact OE1-CZ 3.9Å; E38-R301 IonicContact OE1-NE 3.79Å; E38-R301 PolarHBondContact OE1-NE 3.2Å; E38-R301 IonicContact OE1-NH2 3.49Å; E38-R301 IonicContact OE2-CZ 3.15Å; E38-R301 IonicContact OE2-NE 2.62Å; E38-R301 PolarHBondContact OE2-NE 2.71Å; E38-R301 IonicContact OE2-NH2 2.79Å; E38-R301 PolarHBondContact OE2-NH2 3.29Å; E38-A305 HydrophobicContact CG-CB 4.07Å |
| 39 | E | 97.9 | Very high | 95.1 | Very high | 115 Ų | 115 | 36.4 Ų | 36.4 | 54% | 0.537 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65 | -42.9 | 179 | -69.4 | 177.6 | 158.4 | 0 | 0 | 112.3 | L35 L37 Y41 L42 | L35-E39 HydrophobicContact CD1-CG 3.86Å; L35-E39 HydrophobicContact CG-CG 4.18Å; L35-E39 WeakPolarHBondContact O-CG 3.28Å; L35-E39 PolarHBondContact O-N 3.37Å; L37-E39 PolarHBondContact O-N 2.87Å; E39-Y41 VanDerWaalsContact C-N 3.29Å; E39-Y41 PolarHBondContact O-N 3.2Å; E39-L42 PolarHBondContact O-N 2.91Å |
| 40 | T | 98.3 | Very high | 95 | Very high | 33 Ų | 33 | 37.9 Ų | 37.9 | 20% | 0.202 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | -177.9 | -68.3 | 0 | 0 | 0 | 0 | 111.4 | P36 L37 P373 K376 L379 | P36-T40 VanDerWaalsContact O-CB 3.27Å; P36-T40 WeakPolarHBondContact O-CB 3.33Å; P36-T40 PolarHBondContact O-N 3.4Å; P36-T40 PolarHBondContact O-OG1 3.13Å; L37-T40 PolarHBondContact O-N 3.21Å; T40-P373 HydrophobicContact CG2-CB 4.12Å; T40-P373 HydrophobicContact CG2-CG 4.3Å; T40-P373 WeakPolarHBondContact O-CG 3.34Å; T40-K376 HydrophobicContact CG2-CD 4.03Å; T40-L379 HydrophobicContact CG2-CD1 4.06Å; T40-L379 WeakPolarHBondContact OG1-CD1 3.49Å |
| 41 | Y | 98.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 18.5 | -173.8 | -64.2 | -81.2 | 0 | 0 | 0 | 113.7 | L37 E39 F43 H308 A309 I312 S313 P373 S374 L375 K376 L379 | L37-Y41 HydrophobicContact CD1-CD2 3.8Å; L37-Y41 HydrophobicContact CD1-CE2 3.57Å; L37-Y41 HydrophobicContact CG-CD2 4.22Å; L37-Y41 HydrophobicContact CG-CE2 4.47Å; L37-Y41 WeakPolarHBondContact O-CD2 3.19Å; L37-Y41 PolarHBondContact O-N 2.89Å; E39-Y41 VanDerWaalsContact C-N 3.29Å; E39-Y41 PolarHBondContact O-N 3.2Å; Y41-F43 PolarHBondContact O-N 3.38Å; Y41-H308 PolarHBondContact O-CD2 2.85Å; Y41-H308 PolarHBondContact O-NE2 2.98Å; Y41-A309 HydrophobicContact CD1-CB 4.14Å; Y41-A309 HydrophobicContact CD2-CB 3.47Å; Y41-A309 VanDerWaalsContact CD2-CB 3.47Å; Y41-A309 HydrophobicContact CE1-CB 4.36Å; Y41-A309 HydrophobicContact CE2-CB 3.69Å; Y41-A309 HydrophobicContact CG-CB 3.71Å; Y41-I312 HydrophobicContact CD1-CB 4.15Å; Y41-I312 HydrophobicContact CD1-CG2 3.99Å; Y41-S313 WeakPolarHBondContact CE1-OG 3.26Å; Y41-P373 HydrophobicContact CD1-CB 4.37Å; Y41-P373 HydrophobicContact CD1-CG 3.34Å; Y41-P373 HydrophobicContact CE1-CB 4.14Å; Y41-P373 HydrophobicContact CE1-CG 3.56Å; Y41-P373 HydrophobicContact CG-CG 4.17Å; Y41-S374 PolarHBondContact OH-O 3.3Å; Y41-L375 WeakPolarHBondContact OH-CA 3.38Å; Y41-K376 PolarHBondContact OH-N 3.44Å; Y41-L379 HydrophobicContact CE2-CD1 4.49Å |
| 42 | L | 97.3 | Very high | 94.4 | Very high | 62 Ų | 62 | 39.1 Ų | 39.1 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 29.3 | 176.1 | -51.9 | 175.6 | 0 | 0 | 0 | 113.7 | E38 E39 H44 D45 F46 Y367 F372 | E38-L42 PolarHBondContact O-N 3.38Å; E39-L42 PolarHBondContact O-N 2.91Å; L42-H44 PolarHBondContact O-N 2.86Å; L42-D45 PolarHBondContact O-N 3.43Å; L42-F46 HydrophobicContact CB-CE2 4.32Å; L42-F46 WeakPolarHBondContact O-CD2 3.29Å; L42-Y367 HydrophobicContact CD1-CD1 4.29Å; L42-Y367 HydrophobicContact CD1-CE1 4.16Å; L42-F372 HydrophobicContact CD1-CD1 4.39Å; L42-F372 HydrophobicContact CD1-CE1 4.32Å |
| 43 | F | 97.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53.3 | -35.9 | -174.5 | 177.2 | -91 | 0 | 0 | 0 | 113.3 | E38 Y41 D45 F46 H47 R301 L304 A305 H308 | E38-F43 HydrophobicContact CB-CB 3.78Å; E38-F43 HydrophobicContact CB-CD1 4.16Å; E38-F43 HydrophobicContact CB-CG 4.14Å; E38-F43 HydrophobicContact CG-CB 4.1Å; E38-F43 HydrophobicContact CG-CD1 3.86Å; E38-F43 HydrophobicContact CG-CE1 4.45Å; E38-F43 HydrophobicContact CG-CG 3.93Å; E38-F43 VanDerWaalsContact O-CB 3.31Å; E38-F43 WeakPolarHBondContact O-CB 3.33Å; E38-F43 PolarHBondContact O-N 3.34Å; Y41-F43 PolarHBondContact O-N 3.38Å; F43-D45 PolarHBondContact O-N 2.84Å; F43-F46 PolarHBondContact O-N 2.89Å; F43-H47 HydrophobicContact CD1-CB 4.47Å; F43-H47 HydrophobicContact CD2-CB 4.4Å; F43-H47 AromaticContact CD2-CD2 3.46Å; F43-H47 VanDerWaalsContact CD2-CD2 3.46Å; F43-H47 WeakPolarHBondContact CD2-CD2 3.39Å; F43-H47 HydrophobicContact CE1-CB 3.97Å; F43-H47 HydrophobicContact CE2-CB 3.9Å; F43-H47 AromaticContact CE2-CD2 3.46Å; F43-H47 VanDerWaalsContact CE2-CD2 3.46Å; F43-H47 WeakPolarHBondContact CE2-CD2 3.2Å; F43-H47 AromaticContact CE2-CG 3.86Å; F43-H47 HydrophobicContact CZ-CB 3.66Å; F43-H47 PolarHBondContact O-N 3.27Å; F43-R301 HydrophobicContact CZ-CG 4.37Å; F43-L304 HydrophobicContact CE2-CB 4.48Å; F43-L304 HydrophobicContact CE2-CD2 4.25Å; F43-L304 HydrophobicContact CE2-CG 4.01Å; F43-L304 HydrophobicContact CZ-CD2 4.19Å; F43-L304 HydrophobicContact CZ-CG 4.41Å; F43-A305 HydrophobicContact CD2-CB 3.91Å; F43-A305 HydrophobicContact CE2-CB 3.85Å; F43-H308 HydrophobicContact CD2-CB 4.2Å |
| 44 | H | 93.5 | Very high | 93.7 | Very high | 47 Ų | 47 | 32.2 Ų | 32.2 | 22% | 0.218 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.7 | -24.2 | -177.2 | -55.6 | -45.5 | 0 | 0 | 0 | 114 | E38 L42 S48 A50 | E38-H44 IonicContact OE2-CE1 3.09Å; E38-H44 PolarHBondContact OE2-CE1 2.64Å; E38-H44 IonicContact OE2-NE2 3.48Å; L42-H44 PolarHBondContact O-N 2.86Å; H44-S48 WeakPolarHBondContact CA-O 3.25Å; H44-S48 PolarHBondContact ND1-O 3.21Å; H44-A50 WeakPolarHBondContact CE1-CA 3.49Å; H44-A50 VanDerWaalsContact CE1-CB 3.44Å; H44-A50 WeakPolarHBondContact CE1-CB 3.2Å; H44-A50 PolarHBondContact CE1-N 3.35Å; H44-A50 PolarHBondContact ND1-N 3.01Å; H44-A50 VanDerWaalsContact ND1-N 3.12Å; H44-A50 WeakPolarHBondContact NE2-CB 3.44Å |
| 45 | D | 91.6 | Very high | 93.2 | Very high | 91 Ų | 91 | 33.2 Ų | 33.2 | 49% | 0.487 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -85.7 | -14.9 | -178.7 | -49.7 | -25.9 | 0 | 0 | 0 | 112.1 | L42 F43 Y367 | L42-D45 PolarHBondContact O-N 3.43Å; F43-D45 PolarHBondContact O-N 2.84Å; D45-Y367 WeakPolarHBondContact CB-OH 3.49Å |
| 46 | F | 91.8 | Very high | 92.8 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -107.6 | -39.9 | -179 | -69.7 | -97.2 | 0 | 0 | 0 | 113.1 | L42 F43 H308 I312 M360 M363 L364 Y367 F372 | L42-F46 HydrophobicContact CB-CE2 4.32Å; L42-F46 WeakPolarHBondContact O-CD2 3.29Å; F43-F46 PolarHBondContact O-N 2.89Å; F46-H308 AromaticContact CD2-CE1 3.49Å; F46-H308 VanDerWaalsContact CD2-CE1 3.49Å; F46-H308 WeakPolarHBondContact CD2-CE1 3.48Å; F46-H308 AromaticContact CD2-NE2 3.67Å; F46-H308 AromaticContact CG-CE1 3.48Å; F46-H308 VanDerWaalsContact CG-CE1 3.48Å; F46-H308 WeakPolarHBondContact CG-CE1 3.48Å; F46-I312 HydrophobicContact CE2-CD1 4.41Å; F46-I312 HydrophobicContact CZ-CD1 4.23Å; F46-M360 HydrophobicContact CB-SD 4.37Å; F46-M360 HydrophobicContact CD1-CE 3.96Å; F46-M360 HydrophobicContact CD1-SD 3.82Å; F46-M360 HydrophobicContact CE1-CE 4.31Å; F46-M360 HydrophobicContact CG-SD 4.47Å; F46-M363 HydrophobicContact CB-CE 4.04Å; F46-M363 HydrophobicContact CB-SD 4.28Å; F46-M363 HydrophobicContact CD1-CB 3.71Å; F46-M363 HydrophobicContact CD1-CE 3.98Å; F46-M363 HydrophobicContact CD1-SD 4.28Å; F46-M363 HydrophobicContact CE1-CB 3.87Å; F46-M363 HydrophobicContact CG-CE 4.5Å; F46-M363 WeakPolarHBondContact O-CE 3.47Å; F46-L364 HydrophobicContact CE1-CD2 3.69Å; F46-L364 HydrophobicContact CE1-CG 3.98Å; F46-L364 HydrophobicContact CZ-CD2 3.96Å; F46-Y367 HydrophobicContact CE1-CD2 4.12Å; F46-Y367 HydrophobicContact CE1-CE2 4.06Å; F46-Y367 HydrophobicContact CE2-CD1 4.46Å; F46-Y367 HydrophobicContact CE2-CD2 4.26Å; F46-Y367 HydrophobicContact CE2-CE1 4.12Å; F46-Y367 AromaticContact CE2-CE2 3.91Å; F46-Y367 HydrophobicContact CE2-CE2 3.91Å; F46-Y367 AromaticContact CE2-CZ 3.86Å; F46-Y367 HydrophobicContact CZ-CD1 4.3Å; F46-Y367 AromaticContact CZ-CD2 3.51Å; F46-Y367 HydrophobicContact CZ-CD2 3.51Å; F46-Y367 HydrophobicContact CZ-CE1 4.3Å; F46-Y367 AromaticContact CZ-CE2 3.5Å; F46-Y367 HydrophobicContact CZ-CE2 3.5Å; F46-Y367 AromaticContact CZ-CG 3.94Å; F46-Y367 HydrophobicContact CZ-CG 3.94Å; F46-Y367 AromaticContact CZ-CZ 3.93Å; F46-F372 HydrophobicContact CZ-CZ 4.43Å |
| 47 | H | 89.3 | Confident | 92.3 | Very high | 38 Ų | 38 | 37.1 Ų | 37.1 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -74.6 | -167.4 | -56 | -66.7 | 0 | 0 | 0 | 112.5 | F43 L304 H308 | F43-H47 HydrophobicContact CD1-CB 4.47Å; F43-H47 HydrophobicContact CD2-CB 4.4Å; F43-H47 AromaticContact CD2-CD2 3.46Å; F43-H47 VanDerWaalsContact CD2-CD2 3.46Å; F43-H47 WeakPolarHBondContact CD2-CD2 3.39Å; F43-H47 HydrophobicContact CE1-CB 3.97Å; F43-H47 HydrophobicContact CE2-CB 3.9Å; F43-H47 AromaticContact CE2-CD2 3.46Å; F43-H47 VanDerWaalsContact CE2-CD2 3.46Å; F43-H47 WeakPolarHBondContact CE2-CD2 3.2Å; F43-H47 AromaticContact CE2-CG 3.86Å; F43-H47 HydrophobicContact CZ-CB 3.66Å; F43-H47 PolarHBondContact O-N 3.27Å; H47-L304 HydrophobicContact CB-CD2 4.3Å; H47-H308 AromaticContact CD2-CG 3.83Å; H47-H308 AromaticContact CD2-ND1 3.85Å; H47-H308 AromaticContact NE2-CE1 3.63Å; H47-H308 AromaticContact NE2-CG 3.35Å; H47-H308 VanDerWaalsContact NE2-CG 3.35Å; H47-H308 AromaticContact NE2-ND1 3.04Å; H47-H308 PolarHBondContact NE2-ND1 3.07Å |
| 48 | S | 86.4 | Confident | 91.7 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 8% | 0.077 | 21% | 0.208 | C | C | . | . | trans | -152.1 | 147.3 | -176.2 | 64.6 | 0 | 0 | 0 | 0 | 112.4 | H44 R301 | H44-S48 WeakPolarHBondContact CA-O 3.25Å; H44-S48 PolarHBondContact ND1-O 3.21Å; S48-R301 PolarHBondContact O-NH2 2.96Å; S48-R301 PolarHBondContact OG-NH1 3.05Å | ||
| 49 | P | 88.4 | Confident | 91.4 | Very high | 41 Ų | 41 | 42 Ų | 42 | 27% | 0.266 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -62.7 | 157.5 | -178.3 | 25.3 | -36.6 | 0 | 0 | 0 | 113.3 | L51 K125 R301 | P49-L51 PolarHBondContact O-N 2.98Å; P49-K125 HydrophobicContact CB-CD 3.84Å; P49-K125 HydrophobicContact CB-CG 4.19Å; P49-K125 HydrophobicContact CG-CB 4.28Å; P49-K125 HydrophobicContact CG-CD 3.64Å; P49-K125 HydrophobicContact CG-CG 4.17Å; P49-R301 PolarHBondContact O-NH1 2.77Å; P49-R301 PolarHBondContact O-NH2 3.32Å |
| 50 | A | 91.7 | Very high | 91.2 | Very high | 32 Ų | 32 | 36.9 Ų | 36.9 | 26% | 0.264 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -61.6 | 128.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y30 L35 H44 K125 | Y30-A50 VanDerWaalsContact OH-CA 3.31Å; Y30-A50 WeakPolarHBondContact OH-CA 3.42Å; L35-A50 HydrophobicContact CD1-CB 3.92Å; H44-A50 WeakPolarHBondContact CE1-CA 3.49Å; H44-A50 VanDerWaalsContact CE1-CB 3.44Å; H44-A50 WeakPolarHBondContact CE1-CB 3.2Å; H44-A50 PolarHBondContact CE1-N 3.35Å; H44-A50 PolarHBondContact ND1-N 3.01Å; H44-A50 VanDerWaalsContact ND1-N 3.12Å; H44-A50 WeakPolarHBondContact NE2-CB 3.44Å; A50-K125 WeakPolarHBondContact O-CE 3.42Å; A50-K125 PolarHBondContact O-NZ 3.37Å |
| 51 | L | 90.4 | Very high | 91.1 | Very high | 37 Ų | 37 | 35.5 Ų | 35.5 | 19% | 0.194 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 139.9 | -178.7 | -57.6 | 177.2 | 0 | 0 | 0 | 112 | Y30 P49 D55 F56 | Y30-L51 HydrophobicContact CD1-CB 4.02Å; Y30-L51 HydrophobicContact CD2-CD1 3.99Å; Y30-L51 HydrophobicContact CE1-CB 3.57Å; Y30-L51 HydrophobicContact CE1-CG 4.31Å; Y30-L51 WeakPolarHBondContact CE1-O 2.94Å; Y30-L51 HydrophobicContact CE2-CB 4.22Å; Y30-L51 HydrophobicContact CE2-CD1 3.98Å; Y30-L51 HydrophobicContact CE2-CG 4.06Å; Y30-L51 HydrophobicContact CG-CD1 4.37Å; Y30-L51 PolarHBondContact OH-N 3.41Å; P49-L51 PolarHBondContact O-N 2.98Å; L51-D55 WeakPolarHBondContact CA-OD2 3.3Å; L51-D55 HydrophobicContact CB-CB 4.44Å; L51-D55 HydrophobicContact CD2-CB 4.31Å; L51-F56 HydrophobicContact CB-CE2 3.8Å; L51-F56 HydrophobicContact CB-CZ 3.98Å; L51-F56 HydrophobicContact CD1-CE1 4.44Å; L51-F56 HydrophobicContact CD1-CE2 4.42Å; L51-F56 HydrophobicContact CD1-CZ 3.79Å |
| 52 | E | 89.1 | Confident | 91.1 | Very high | 57 Ų | 57 | 35.4 Ų | 35.4 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | trans | -106.7 | 164.7 | 178 | -67.7 | -179.7 | -142.7 | 0 | 0 | 110.5 | A54 D55 F56 R124 K125 | E52-A54 PolarHBondContact O-N 3.13Å; E52-A54 VanDerWaalsContact O-N 3.13Å; E52-D55 PolarHBondContact N-OD2 3.47Å; E52-D55 WeakPolarHBondContact O-CB 3.47Å; E52-D55 PolarHBondContact O-N 2.69Å; E52-F56 VanDerWaalsContact O-CD2 3.29Å; E52-F56 WeakPolarHBondContact O-CD2 3.43Å; E52-R124 IonicContact OE2-NH1 3.95Å; E52-K125 WeakPolarHBondContact OE1-CE 3.02Å | ||
| 53 | G | 87.8 | Confident | 91.2 | Very high | 24 Ų | 24 | 32.5 Ų | 32.5 | 25% | 0.247 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54.3 | -35.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D55 F56 Q57 | G53-D55 VanDerWaalsContact C-N 3.27Å; G53-D55 PolarHBondContact O-N 3.23Å; G53-F56 PolarHBondContact O-N 3.09Å; G53-F56 VanDerWaalsContact O-N 3.15Å; G53-Q57 WeakPolarHBondContact O-CG 3.29Å; G53-Q57 PolarHBondContact O-N 2.66Å; G53-Q57 VanDerWaalsContact O-N 3.11Å |
| 54 | A | 88.4 | Confident | 91.2 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 7% | 0.066 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.9 | -29.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E52 F56 Q57 S58 | E52-A54 PolarHBondContact O-N 3.13Å; E52-A54 VanDerWaalsContact O-N 3.13Å; A54-F56 VanDerWaalsContact C-N 3.28Å; A54-F56 PolarHBondContact O-N 2.97Å; A54-Q57 PolarHBondContact O-N 3.26Å; A54-S58 VanDerWaalsContact O-CB 3.23Å; A54-S58 WeakPolarHBondContact O-CB 3.09Å; A54-S58 PolarHBondContact O-N 2.96Å; A54-S58 PolarHBondContact O-OG 2.73Å |
| 55 | D | 87.8 | Confident | 91.4 | Very high | 21 Ų | 21 | 30.2 Ų | 30.2 | 11% | 0.112 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.1 | -32 | 177 | -65.4 | -54 | 0 | 0 | 0 | 110.9 | L51 E52 G53 S58 K125 K294 | L51-D55 WeakPolarHBondContact CA-OD2 3.3Å; L51-D55 HydrophobicContact CB-CB 4.44Å; L51-D55 HydrophobicContact CD2-CB 4.31Å; E52-D55 PolarHBondContact N-OD2 3.47Å; E52-D55 WeakPolarHBondContact O-CB 3.47Å; E52-D55 PolarHBondContact O-N 2.69Å; G53-D55 VanDerWaalsContact C-N 3.27Å; G53-D55 PolarHBondContact O-N 3.23Å; D55-S58 PolarHBondContact O-OG 3.04Å; D55-S58 VanDerWaalsContact O-OG 3.05Å; D55-K125 IonicContact OD2-NZ 2.83Å; D55-K125 PolarHBondContact OD2-NZ 2.99Å; D55-K294 PolarHBondContact O-NZ 2.57Å; D55-K294 VanDerWaalsContact O-NZ 3.13Å |
| 56 | F | 88.5 | Confident | 91.4 | Very high | 12 Ų | 12 | 25.9 Ų | 25.9 | 5% | 0.053 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -82.9 | -34.7 | 178 | -61.3 | -82.6 | 0 | 0 | 0 | 112.5 | T23 L26 Q27 Y30 L51 E52 G53 A54 K294 | T23-F56 HydrophobicContact CG2-CB 3.86Å; T23-F56 WeakPolarHBondContact CG2-O 3.17Å; L26-F56 HydrophobicContact CB-CD1 3.99Å; L26-F56 HydrophobicContact CB-CE1 4.2Å; Q27-F56 HydrophobicContact CB-CB 4.27Å; Q27-F56 HydrophobicContact CB-CD1 4.14Å; Q27-F56 HydrophobicContact CB-CD2 3.9Å; Q27-F56 HydrophobicContact CB-CE2 4.3Å; Q27-F56 HydrophobicContact CB-CG 3.82Å; Q27-F56 HydrophobicContact CG-CD2 3.78Å; Q27-F56 HydrophobicContact CG-CE2 4.09Å; Q27-F56 HydrophobicContact CG-CG 4.22Å; Y30-F56 HydrophobicContact CD1-CE2 4.04Å; Y30-F56 AromaticContact CD1-CZ 3.83Å; Y30-F56 HydrophobicContact CD1-CZ 3.83Å; Y30-F56 HydrophobicContact CG-CE2 4.37Å; Y30-F56 AromaticContact CG-CZ 3.69Å; Y30-F56 HydrophobicContact CG-CZ 3.69Å; L51-F56 HydrophobicContact CB-CE2 3.8Å; L51-F56 HydrophobicContact CB-CZ 3.98Å; L51-F56 HydrophobicContact CD1-CE1 4.44Å; L51-F56 HydrophobicContact CD1-CE2 4.42Å; L51-F56 HydrophobicContact CD1-CZ 3.79Å; E52-F56 VanDerWaalsContact O-CD2 3.29Å; E52-F56 WeakPolarHBondContact O-CD2 3.43Å; G53-F56 PolarHBondContact O-N 3.09Å; G53-F56 VanDerWaalsContact O-N 3.15Å; A54-F56 VanDerWaalsContact C-N 3.28Å; A54-F56 PolarHBondContact O-N 2.97Å; F56-K294 VanDerWaalsContact C-NZ 3.3Å; F56-K294 PolarHBondContact O-NZ 2.71Å |
| 57 | Q | 87.1 | Confident | 91.4 | Very high | 140 Ų | 140 | 26.6 Ų | 26.6 | 65% | 0.654 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -89.9 | -13.3 | -176.5 | -64.2 | 173.7 | 10 | 0 | 0 | 113.9 | T23 G53 A54 | T23-Q57 HydrophobicContact CG2-CG 4.44Å; G53-Q57 WeakPolarHBondContact O-CG 3.29Å; G53-Q57 PolarHBondContact O-N 2.66Å; G53-Q57 VanDerWaalsContact O-N 3.11Å; A54-Q57 PolarHBondContact O-N 3.26Å |
| 58 | S | 87.7 | Confident | 91.2 | Very high | 26 Ų | 26 | 27.7 Ų | 27.7 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -57 | 140.7 | 179.1 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | A54 D55 K294 | A54-S58 VanDerWaalsContact O-CB 3.23Å; A54-S58 WeakPolarHBondContact O-CB 3.09Å; A54-S58 PolarHBondContact O-N 2.96Å; A54-S58 PolarHBondContact O-OG 2.73Å; D55-S58 PolarHBondContact O-OG 3.04Å; D55-S58 VanDerWaalsContact O-OG 3.05Å; S58-K294 PolarHBondContact O-NZ 2.99Å; S58-K294 PolarHBondContact OG-NZ 3.44Å |
| 59 | K | 91.6 | Very high | 91.2 | Very high | 77 Ų | 77 | 29.8 Ų | 29.8 | 34% | 0.335 | 16% | 0.164 | S | C | . | . | P | Polyproline II helix | trans | -64.5 | 155.6 | 167.4 | -60.9 | -175.9 | -170.3 | -175.2 | 0 | 109.8 | M61 L147 Q148 | K59-M61 PolarHBondContact O-N 3.22Å; K59-L147 PolarHBondContact NZ-O 2.94Å; K59-L147 VanDerWaalsContact NZ-O 3.07Å; K59-Q148 WeakPolarHBondContact CD-O 3.38Å; K59-Q148 VanDerWaalsContact CE-O 3.23Å; K59-Q148 WeakPolarHBondContact CE-O 3.39Å; K59-Q148 VanDerWaalsContact NZ-C 3.3Å; K59-Q148 VanDerWaalsContact NZ-CA 3.33Å; K59-Q148 PolarHBondContact NZ-O 3.19Å |
| 60 | P | 94.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -55.6 | 139.1 | 175.3 | -21.9 | 30.9 | 0 | 0 | 0 | 111.8 | S149 I150 S151 D184 L286 P287 A290 | P60-S149 WeakPolarHBondContact CD-O 3.27Å; P60-I150 HydrophobicContact CB-CG2 4.17Å; P60-I150 HydrophobicContact CG-CG2 4.48Å; P60-I150 CarbonylContact O-C 3.52Å; P60-I150 WeakPolarHBondContact O-CA 3.42Å; P60-S151 PolarHBondContact O-N 3.45Å; P60-D184 WeakPolarHBondContact CA-OD2 3.22Å; P60-D184 HydrophobicContact CB-CB 4.14Å; P60-D184 WeakPolarHBondContact CB-OD2 3.32Å; P60-L286 HydrophobicContact CB-CB 4.06Å; P60-L286 HydrophobicContact CG-CB 4.46Å; P60-P287 HydrophobicContact CG-CB 4.46Å; P60-A290 HydrophobicContact CG-CB 3.78Å |
| 61 | M | 96.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.02 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 135.7 | -179.3 | -67.8 | -176.9 | -69.4 | 0 | 0 | 111.7 | K59 P122 F123 S151 I153 R182 V183 D184 R185 | K59-M61 PolarHBondContact O-N 3.22Å; M61-P122 HydrophobicContact SD-CG 4.44Å; M61-F123 HydrophobicContact SD-CE1 4.27Å; M61-F123 HydrophobicContact SD-CZ 4.45Å; M61-S151 CarbonylContact C-O 3.48Å; M61-S151 VanDerWaalsContact CA-O 3.3Å; M61-S151 WeakPolarHBondContact CA-O 3.3Å; M61-I153 HydrophobicContact SD-CD1 4.48Å; M61-R182 HydrophobicContact CE-CB 4.02Å; M61-R182 WeakPolarHBondContact CE-O 3.41Å; M61-V183 HydrophobicContact CB-CB 4.21Å; M61-V183 HydrophobicContact CB-CG1 3.87Å; M61-V183 WeakPolarHBondContact O-CB 3.5Å; M61-D184 PolarHBondContact N-OD2 3.23Å; M61-D184 PolarHBondContact O-N 3.25Å; M61-R185 PolarHBondContact O-N 3.3Å |
| 62 | V | 98.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 118.4 | 172.5 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | L64 I150 S151 I152 I153 R185 I187 L286 | V62-L64 HydrophobicContact CG1-CD2 4.18Å; V62-I150 HydrophobicContact CG2-CD1 4.24Å; V62-S151 PolarHBondContact N-O 3.35Å; V62-I152 CarbonylContact O-C 3.29Å; V62-I152 WeakPolarHBondContact O-CA 3.35Å; V62-I153 PolarHBondContact O-N 3.05Å; V62-R185 WeakPolarHBondContact CA-O 3.22Å; V62-R185 HydrophobicContact CG1-CB 4.31Å; V62-R185 HydrophobicContact CG2-CB 4.27Å; V62-I187 HydrophobicContact CG1-CD1 3.6Å; V62-I187 HydrophobicContact CG1-CG1 3.87Å; V62-L286 HydrophobicContact CG2-CD1 3.4Å; V62-L286 VanDerWaalsContact CG2-CD1 3.4Å |
| 63 | L | 98.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.7 | 177.6 | -179.1 | 69 | 0 | 0 | 0 | 110.2 | V65 I153 T155 L176 F179 V183 R185 I186 I187 F208 | L63-V65 HydrophobicContact CD2-CG2 3.9Å; L63-V65 HydrophobicContact CG-CG2 3.83Å; L63-I153 HydrophobicContact CD1-CB 3.71Å; L63-I153 HydrophobicContact CD1-CG2 3.57Å; L63-T155 HydrophobicContact CD1-CG2 3.5Å; L63-T155 HydrophobicContact CG-CG2 4.35Å; L63-L176 HydrophobicContact CD2-CD2 4.38Å; L63-F179 HydrophobicContact CD1-CB 4.17Å; L63-F179 HydrophobicContact CD1-CG 4.27Å; L63-F179 HydrophobicContact CD2-CB 3.89Å; L63-V183 HydrophobicContact CB-CB 4.29Å; L63-V183 HydrophobicContact CB-CG1 3.86Å; L63-V183 HydrophobicContact CB-CG2 4.12Å; L63-R185 PolarHBondContact N-O 2.89Å; L63-I186 HydrophobicContact CD2-CG1 4.42Å; L63-I186 HydrophobicContact CD2-CG2 4.49Å; L63-I186 CarbonylContact O-C 3.6Å; L63-I186 WeakPolarHBondContact O-CA 3.34Å; L63-I187 PolarHBondContact O-N 3.4Å; L63-F208 HydrophobicContact CD2-CE1 3.79Å; L63-F208 HydrophobicContact CD2-CZ 3.7Å |
| 64 | L | 98 | Very high | 92.2 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.4 | 173.5 | -56.5 | -168.7 | 0 | 0 | 0 | 110.3 | V62 K72 F75 I76 I152 I153 T155 I187 L189 | V62-L64 HydrophobicContact CG1-CD2 4.18Å; L64-K72 HydrophobicContact CB-CB 4.39Å; L64-K72 HydrophobicContact CB-CD 4.38Å; L64-K72 HydrophobicContact CB-CG 4.36Å; L64-K72 HydrophobicContact CD1-CB 4.33Å; L64-F75 HydrophobicContact CD1-CD1 3.81Å; L64-F75 HydrophobicContact CD2-CD1 4.1Å; L64-F75 HydrophobicContact CD2-CE1 4.14Å; L64-I76 HydrophobicContact CD1-CD1 3.78Å; L64-I76 HydrophobicContact CD1-CG1 3.32Å; L64-I76 HydrophobicContact CG-CG1 4.42Å; L64-I152 HydrophobicContact CD1-CG2 4.44Å; L64-I152 HydrophobicContact CG-CG2 4.25Å; L64-I153 PolarHBondContact N-O 3.24Å; L64-T155 WeakPolarHBondContact O-CB 3.48Å; L64-T155 WeakPolarHBondContact O-CG2 3.22Å; L64-T155 PolarHBondContact O-OG1 3.42Å; L64-I187 HydrophobicContact CD2-CB 3.65Å; L64-I187 HydrophobicContact CD2-CD1 3.82Å; L64-I187 HydrophobicContact CD2-CG1 4.04Å; L64-I187 HydrophobicContact CD2-CG2 4.28Å; L64-L189 HydrophobicContact CB-CD1 4.26Å; L64-L189 HydrophobicContact CD2-CD1 4.14Å |
| 65 | V | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 141.1 | 177.1 | -171 | 0 | 0 | 0 | 0 | 109.8 | L63 T155 I158 L176 I186 I187 L188 L189 F201 F208 | L63-V65 HydrophobicContact CD2-CG2 3.9Å; L63-V65 HydrophobicContact CG-CG2 3.83Å; V65-T155 HydrophobicContact CG2-CG2 4.29Å; V65-I158 HydrophobicContact CG1-CD1 3.75Å; V65-L176 HydrophobicContact CG1-CD1 4.17Å; V65-L176 HydrophobicContact CG2-CD2 4.05Å; V65-I186 HydrophobicContact CG2-CG2 4.48Å; V65-I187 PolarHBondContact N-O 2.92Å; V65-L188 HydrophobicContact CB-CD2 3.92Å; V65-L188 HydrophobicContact CG1-CD2 4.49Å; V65-L188 CarbonylContact O-C 3.57Å; V65-L188 VanDerWaalsContact O-CA 3.31Å; V65-L188 WeakPolarHBondContact O-CA 3.42Å; V65-L189 PolarHBondContact O-N 2.78Å; V65-F201 HydrophobicContact CG1-CE2 3.99Å; V65-F208 HydrophobicContact CG2-CE2 4.06Å; V65-F208 HydrophobicContact CG2-CZ 3.86Å |
| 66 | G | 93.3 | Very high | 93 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.8 | 163.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K72 I158 | G66-K72 PolarHBondContact O-NZ 3.46Å; G66-I158 PolarHBondContact O-N 3.07Å |
| 67 | Q | 89.9 | Confident | 93.4 | Very high | 20 Ų | 20 | 27.7 Ų | 27.7 | 9% | 0.093 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | -62.1 | 171.5 | 176.9 | -74.6 | -174.4 | -22.2 | 0 | 0 | 112.9 | T70 K72 I158 D196 S198 F201 | Q67-T70 HydrophobicContact CB-CG2 3.97Å; Q67-T70 WeakPolarHBondContact O-CG2 3.34Å; Q67-T70 PolarHBondContact O-OG1 3.09Å; Q67-T70 VanDerWaalsContact O-OG1 3.07Å; Q67-K72 PolarHBondContact O-NZ 3.12Å; Q67-I158 CarbonylContact C-O 3.59Å; Q67-I158 VanDerWaalsContact CA-O 3.28Å; Q67-I158 WeakPolarHBondContact CA-O 3.23Å; Q67-I158 HydrophobicContact CG-CB 4.36Å; Q67-D196 VanDerWaalsContact CD-O 3.29Å; Q67-D196 PolarHBondContact NE2-O 3.36Å; Q67-D196 PolarHBondContact OE1-O 2.88Å; Q67-S198 VanDerWaalsContact NE2-CB 3.35Å; Q67-S198 PolarHBondContact NE2-OG 3.2Å; Q67-F201 HydrophobicContact CG-CB 4.32Å; Q67-F201 HydrophobicContact CG-CD1 3.71Å; Q67-F201 HydrophobicContact CG-CE1 4.27Å; Q67-F201 HydrophobicContact CG-CG 4.22Å |
| 68 | Y | 86.4 | Confident | 93.7 | Very high | 62 Ų | 62 | 23.7 Ų | 23.7 | 24% | 0.243 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 140.7 | 175.1 | -173.7 | -102 | 0 | 0 | 0 | 111.9 | T70 G90 P91 E92 P93 I158 | Y68-T70 PolarHBondContact O-N 3.07Å; Y68-T70 VanDerWaalsContact O-N 3.17Å; Y68-G90 PolarHBondContact OH-O 3.36Å; Y68-P91 WeakPolarHBondContact CE1-O 3.43Å; Y68-P91 PolarHBondContact OH-O 2.97Å; Y68-E92 VanDerWaalsContact CZ-O 3.32Å; Y68-E92 VanDerWaalsContact OH-CA 3.3Å; Y68-E92 WeakPolarHBondContact OH-CA 3.47Å; Y68-E92 PolarHBondContact OH-N 3.12Å; Y68-E92 VanDerWaalsContact OH-N 3.09Å; Y68-E92 PolarHBondContact OH-O 3.36Å; Y68-P93 HydrophobicContact CD2-CB 4.43Å; Y68-P93 HydrophobicContact CD2-CG 4.42Å; Y68-P93 HydrophobicContact CE2-CB 4.2Å; Y68-P93 HydrophobicContact CE2-CG 4.29Å; Y68-P93 VanDerWaalsContact CZ-N 3.31Å; Y68-I158 PolarHBondContact N-O 3.31Å |
| 69 | S | 86.3 | Confident | 94.1 | Very high | 55 Ų | 55 | 22.6 Ų | 22.6 | 39% | 0.385 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 9.2 | 179.4 | -148 | 0 | 0 | 0 | 0 | 117.7 | G71 K221 | S69-G71 PolarHBondContact O-N 3.24Å; S69-K221 PolarHBondContact O-NZ 3.23Å |
| 70 | T | 91.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -71.6 | -9.6 | 177.3 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | Q67 Y68 D191 N220 | Q67-T70 HydrophobicContact CB-CG2 3.97Å; Q67-T70 WeakPolarHBondContact O-CG2 3.34Å; Q67-T70 PolarHBondContact O-OG1 3.09Å; Q67-T70 VanDerWaalsContact O-OG1 3.07Å; Y68-T70 PolarHBondContact O-N 3.07Å; Y68-T70 VanDerWaalsContact O-N 3.17Å; T70-D191 HydrophobicContact CG2-CB 4.32Å; T70-N220 PolarHBondContact O-ND2 3.17Å |
| 71 | G | 92.8 | Very high | 94.2 | Very high | 13 Ų | 13 | 25.2 Ų | 25.2 | 13% | 0.134 | 12% | 0.122 | C | C | . | . | trans | 97 | 22.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S69 T74 F75 | S69-G71 PolarHBondContact O-N 3.24Å; G71-T74 PolarHBondContact O-N 3.26Å; G71-F75 VanDerWaalsContact O-CB 3.3Å; G71-F75 WeakPolarHBondContact O-CB 3.41Å; G71-F75 PolarHBondContact O-N 3.25Å | ||
| 72 | K | 94.6 | Very high | 94 | Very high | 13 Ų | 13 | 28 Ų | 28 | 6% | 0.057 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -52.3 | -58 | 178.1 | -62.3 | -177.9 | -67.6 | -67.1 | 0 | 113.5 | L64 G66 Q67 T74 F75 I76 D154 T155 L189 | L64-K72 HydrophobicContact CB-CB 4.39Å; L64-K72 HydrophobicContact CB-CD 4.38Å; L64-K72 HydrophobicContact CB-CG 4.36Å; L64-K72 HydrophobicContact CD1-CB 4.33Å; G66-K72 PolarHBondContact O-NZ 3.46Å; Q67-K72 PolarHBondContact O-NZ 3.12Å; K72-T74 VanDerWaalsContact C-N 3.29Å; K72-T74 PolarHBondContact O-N 3.01Å; K72-F75 WeakPolarHBondContact O-CA 3.46Å; K72-F75 VanDerWaalsContact O-CB 3.29Å; K72-F75 WeakPolarHBondContact O-CB 3.23Å; K72-F75 PolarHBondContact O-N 3.13Å; K72-I76 PolarHBondContact O-N 2.92Å; K72-D154 WeakPolarHBondContact CB-OD1 3.49Å; K72-T155 WeakPolarHBondContact CE-O 3.31Å; K72-L189 HydrophobicContact CG-CB 4.43Å; K72-L189 HydrophobicContact CG-CD1 4.34Å; K72-L189 HydrophobicContact CG-CD2 4.18Å |
| 73 | T | 94.6 | Very high | 93.9 | Very high | 14 Ų | 14 | 31.9 Ų | 31.9 | 9% | 0.086 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.4 | -38 | 179.6 | -48.3 | 0 | 0 | 0 | 0 | 112 | F75 I76 R77 F84 M87 I89 D154 | T73-F75 VanDerWaalsContact C-N 3.35Å; T73-I76 PolarHBondContact O-N 3.26Å; T73-R77 PolarHBondContact O-N 3.5Å; T73-F84 HydrophobicContact CG2-CE1 4.25Å; T73-F84 HydrophobicContact CG2-CZ 3.81Å; T73-M87 HydrophobicContact CG2-CB 4.08Å; T73-M87 HydrophobicContact CG2-CE 4.24Å; T73-I89 HydrophobicContact CG2-CD1 4.45Å; T73-I89 HydrophobicContact CG2-CG1 3.82Å; T73-D154 WeakPolarHBondContact CA-OD2 3.29Å; T73-D154 WeakPolarHBondContact CB-OD2 3.46Å; T73-D154 PolarHBondContact OG1-OD2 3.33Å |
| 74 | T | 95 | Very high | 93.8 | Very high | 33 Ų | 33 | 32.2 Ų | 32.2 | 20% | 0.202 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.1 | -38.1 | 173.9 | -52 | 0 | 0 | 0 | 0 | 112 | G71 K72 R77 Y78 W259 | G71-T74 PolarHBondContact O-N 3.26Å; K72-T74 VanDerWaalsContact C-N 3.29Å; K72-T74 PolarHBondContact O-N 3.01Å; T74-R77 WeakPolarHBondContact O-CB 3.39Å; T74-R77 PolarHBondContact O-N 2.83Å; T74-Y78 VanDerWaalsContact O-CB 3.29Å; T74-Y78 WeakPolarHBondContact O-CB 3.45Å; T74-Y78 PolarHBondContact O-N 3.1Å; T74-W259 HydrophobicContact CG2-CB 3.94Å |
| 75 | F | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.4 | -42.5 | 177 | -178.5 | -88.7 | 0 | 0 | 0 | 110.9 | L64 G71 K72 T73 Y78 L79 I187 L189 F258 L279 | L64-F75 HydrophobicContact CD1-CD1 3.81Å; L64-F75 HydrophobicContact CD2-CD1 4.1Å; L64-F75 HydrophobicContact CD2-CE1 4.14Å; G71-F75 VanDerWaalsContact O-CB 3.3Å; G71-F75 WeakPolarHBondContact O-CB 3.41Å; G71-F75 PolarHBondContact O-N 3.25Å; K72-F75 WeakPolarHBondContact O-CA 3.46Å; K72-F75 VanDerWaalsContact O-CB 3.29Å; K72-F75 WeakPolarHBondContact O-CB 3.23Å; K72-F75 PolarHBondContact O-N 3.13Å; T73-F75 VanDerWaalsContact C-N 3.35Å; F75-Y78 WeakPolarHBondContact O-CB 3.4Å; F75-Y78 PolarHBondContact O-N 3.49Å; F75-L79 HydrophobicContact CD1-CD1 4Å; F75-L79 HydrophobicContact CD1-CG 4.25Å; F75-L79 HydrophobicContact CE1-CD1 3.45Å; F75-L79 VanDerWaalsContact CE1-CD1 3.45Å; F75-L79 HydrophobicContact CE1-CD2 4.42Å; F75-L79 HydrophobicContact CE1-CG 3.93Å; F75-L79 HydrophobicContact CZ-CD1 4.09Å; F75-L79 HydrophobicContact CZ-CD2 4.3Å; F75-L79 HydrophobicContact CZ-CG 4.29Å; F75-L79 WeakPolarHBondContact O-CG 3.43Å; F75-L79 PolarHBondContact O-N 2.9Å; F75-I187 HydrophobicContact CE1-CD1 3.98Å; F75-I187 HydrophobicContact CZ-CD1 4.22Å; F75-L189 HydrophobicContact CB-CD2 4.03Å; F75-L189 HydrophobicContact CD2-CD2 4.47Å; F75-L189 HydrophobicContact CG-CD2 4.27Å; F75-F258 HydrophobicContact CD2-CB 3.38Å; F75-F258 HydrophobicContact CD2-CD1 4.09Å; F75-F258 HydrophobicContact CD2-CD2 4.27Å; F75-F258 AromaticContact CD2-CG 3.66Å; F75-F258 HydrophobicContact CD2-CG 3.66Å; F75-F258 HydrophobicContact CE2-CB 3.79Å; F75-F258 AromaticContact CE2-CD1 3.55Å; F75-F258 HydrophobicContact CE2-CD1 3.55Å; F75-F258 HydrophobicContact CE2-CD2 4.17Å; F75-F258 HydrophobicContact CE2-CE1 4.16Å; F75-F258 AromaticContact CE2-CG 3.55Å; F75-F258 HydrophobicContact CE2-CG 3.55Å; F75-F258 HydrophobicContact CG-CB 4.48Å; F75-L279 HydrophobicContact CE2-CD2 3.84Å; F75-L279 HydrophobicContact CZ-CD2 3.7Å |
| 76 | I | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -51.9 | 173.5 | -58.6 | 179.6 | 0 | 0 | 0 | 110.3 | L64 K72 T73 Y78 L79 L80 F84 V101 I152 D154 | L64-I76 HydrophobicContact CD1-CD1 3.78Å; L64-I76 HydrophobicContact CD1-CG1 3.32Å; L64-I76 HydrophobicContact CG-CG1 4.42Å; K72-I76 PolarHBondContact O-N 2.92Å; T73-I76 PolarHBondContact O-N 3.26Å; I76-Y78 PolarHBondContact O-N 3.5Å; I76-L79 PolarHBondContact O-N 3.3Å; I76-L79 VanDerWaalsContact O-N 3.13Å; I76-L80 HydrophobicContact CG2-CD1 3.76Å; I76-L80 HydrophobicContact CG2-CG 4.16Å; I76-L80 WeakPolarHBondContact O-CG 3.25Å; I76-L80 PolarHBondContact O-N 2.86Å; I76-F84 HydrophobicContact CB-CE1 3.81Å; I76-F84 HydrophobicContact CB-CZ 4.3Å; I76-F84 HydrophobicContact CD1-CZ 4.29Å; I76-F84 HydrophobicContact CG2-CD1 3.97Å; I76-F84 HydrophobicContact CG2-CE1 3.53Å; I76-F84 HydrophobicContact CG2-CZ 4.1Å; I76-V101 HydrophobicContact CD1-CG2 4.5Å; I76-V101 HydrophobicContact CG2-CG2 4.43Å; I76-I152 HydrophobicContact CD1-CG2 3.77Å; I76-I152 HydrophobicContact CG1-CG2 3.84Å; I76-I152 HydrophobicContact CG2-CD1 4.22Å; I76-I152 HydrophobicContact CG2-CG2 4.5Å; I76-D154 HydrophobicContact CD1-CB 3.47Å; I76-D154 VanDerWaalsContact CD1-CB 3.47Å |
| 77 | R | 95.6 | Very high | 93 | Very high | 109 Ų | 109 | 37.1 Ų | 37.1 | 41% | 0.411 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -54.5 | -41 | 177.3 | -174 | -158 | -174.1 | 176.5 | 10 | 111.7 | T73 T74 L80 E81 Q82 D83 M87 | T73-R77 PolarHBondContact O-N 3.5Å; T74-R77 WeakPolarHBondContact O-CB 3.39Å; T74-R77 PolarHBondContact O-N 2.83Å; R77-L80 PolarHBondContact O-N 2.55Å; R77-E81 WeakPolarHBondContact O-CA 3.26Å; R77-E81 PolarHBondContact O-N 2.79Å; R77-Q82 PolarHBondContact O-N 3.07Å; R77-D83 IonicContact CZ-OD1 3.39Å; R77-D83 IonicContact NE-OD1 3.96Å; R77-D83 PolarHBondContact NE-OD1 2.89Å; R77-D83 IonicContact NH2-OD1 3.76Å; R77-D83 PolarHBondContact NH2-OD1 3.48Å; R77-D83 IonicContact NH2-OD2 2.77Å; R77-D83 PolarHBondContact NH2-OD2 2.85Å; R77-M87 HydrophobicContact CB-CE 4.02Å; R77-M87 HydrophobicContact CG-CE 4.04Å |
| 78 | Y | 94.6 | Very high | 92.5 | Very high | 56 Ų | 56 | 43.7 Ų | 43.7 | 22% | 0.22 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.8 | -48.1 | 177.4 | 177.2 | -115.9 | 0 | 0 | 0 | 111.6 | T74 F75 I76 L80 E81 F258 F280 A414 | T74-Y78 VanDerWaalsContact O-CB 3.29Å; T74-Y78 WeakPolarHBondContact O-CB 3.45Å; T74-Y78 PolarHBondContact O-N 3.1Å; F75-Y78 WeakPolarHBondContact O-CB 3.4Å; F75-Y78 PolarHBondContact O-N 3.49Å; I76-Y78 PolarHBondContact O-N 3.5Å; Y78-L80 VanDerWaalsContact C-N 3.33Å; Y78-L80 PolarHBondContact O-N 3.18Å; Y78-E81 WeakPolarHBondContact O-CG 3.29Å; Y78-E81 PolarHBondContact O-N 3.22Å; Y78-F258 HydrophobicContact CD1-CB 3.81Å; Y78-F258 HydrophobicContact CD1-CD1 4.35Å; Y78-F258 HydrophobicContact CE1-CB 4.05Å; Y78-F258 AromaticContact CE1-CD1 3.98Å; Y78-F258 HydrophobicContact CE1-CD1 3.98Å; Y78-F280 HydrophobicContact CD1-CZ 4.44Å; Y78-F280 HydrophobicContact CE1-CE1 4.18Å; Y78-F280 AromaticContact CE1-CZ 3.58Å; Y78-F280 HydrophobicContact CE1-CZ 3.58Å; Y78-A414 WeakPolarHBondContact O-CB 3.43Å |
| 79 | L | 95.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -40.9 | 176.6 | -68.8 | -175.1 | 0 | 0 | 0 | 112.9 | F75 I76 E81 I152 F280 I283 A414 F415 | F75-L79 HydrophobicContact CD1-CD1 4Å; F75-L79 HydrophobicContact CD1-CG 4.25Å; F75-L79 HydrophobicContact CE1-CD1 3.45Å; F75-L79 VanDerWaalsContact CE1-CD1 3.45Å; F75-L79 HydrophobicContact CE1-CD2 4.42Å; F75-L79 HydrophobicContact CE1-CG 3.93Å; F75-L79 HydrophobicContact CZ-CD1 4.09Å; F75-L79 HydrophobicContact CZ-CD2 4.3Å; F75-L79 HydrophobicContact CZ-CG 4.29Å; F75-L79 WeakPolarHBondContact O-CG 3.43Å; F75-L79 PolarHBondContact O-N 2.9Å; I76-L79 PolarHBondContact O-N 3.3Å; I76-L79 VanDerWaalsContact O-N 3.13Å; L79-E81 VanDerWaalsContact C-N 3.32Å; L79-I152 HydrophobicContact CD1-CD1 4.37Å; L79-F280 HydrophobicContact CD2-CD1 4.05Å; L79-F280 HydrophobicContact CD2-CE1 3.54Å; L79-F280 HydrophobicContact CD2-CZ 4.33Å; L79-I283 HydrophobicContact CD1-CD1 4.23Å; L79-A414 PolarHBondContact O-N 2.69Å; L79-A414 VanDerWaalsContact O-N 3.08Å; L79-F415 HydrophobicContact CB-CE2 4.33Å; L79-F415 HydrophobicContact CD1-CZ 4.42Å; L79-F415 HydrophobicContact CD2-CE1 4.41Å; L79-F415 HydrophobicContact CD2-CE2 4.28Å; L79-F415 HydrophobicContact CD2-CZ 3.8Å; L79-F415 HydrophobicContact CG-CZ 4.49Å |
| 80 | L | 94.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -78.9 | -17 | -178.4 | -61.2 | -176.5 | 0 | 0 | 0 | 113.3 | I76 R77 Y78 Q82 F84 V101 M142 N144 V146 L147 I152 | I76-L80 HydrophobicContact CG2-CD1 3.76Å; I76-L80 HydrophobicContact CG2-CG 4.16Å; I76-L80 WeakPolarHBondContact O-CG 3.25Å; I76-L80 PolarHBondContact O-N 2.86Å; R77-L80 PolarHBondContact O-N 2.55Å; Y78-L80 VanDerWaalsContact C-N 3.33Å; Y78-L80 PolarHBondContact O-N 3.18Å; L80-Q82 HydrophobicContact CB-CB 4.38Å; L80-Q82 PolarHBondContact O-N 2.73Å; L80-Q82 VanDerWaalsContact O-N 3.08Å; L80-F84 HydrophobicContact CD1-CD1 4.25Å; L80-V101 HydrophobicContact CD1-CG1 4.03Å; L80-M142 HydrophobicContact CD1-SD 4.32Å; L80-N144 PolarHBondContact O-ND2 3.39Å; L80-V146 HydrophobicContact CD2-CB 3.71Å; L80-V146 HydrophobicContact CD2-CG1 3.75Å; L80-V146 HydrophobicContact CD2-CG2 4.33Å; L80-L147 HydrophobicContact CD1-CD1 4.44Å; L80-L147 HydrophobicContact CD2-CD1 4.48Å; L80-L147 HydrophobicContact CD2-CD2 3.85Å; L80-L147 HydrophobicContact CD2-CG 3.89Å; L80-I152 HydrophobicContact CD2-CD1 4.25Å |
| 81 | E | 93.6 | Very high | 89.6 | Confident | 138 Ų | 138 | 48.6 Ų | 48.6 | 65% | 0.645 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 26.8 | -165.6 | -63.4 | -172.4 | 164.9 | 0 | 0 | 113.7 | R77 Y78 L79 G413 A414 | R77-E81 WeakPolarHBondContact O-CA 3.26Å; R77-E81 PolarHBondContact O-N 2.79Å; Y78-E81 WeakPolarHBondContact O-CG 3.29Å; Y78-E81 PolarHBondContact O-N 3.22Å; L79-E81 VanDerWaalsContact C-N 3.32Å; E81-G413 VanDerWaalsContact CD-C 3.49Å; E81-A414 HydrophobicContact CG-CB 4.36Å; E81-A414 WeakPolarHBondContact OE1-CA 3.34Å |
| 82 | Q | 93 | Very high | 88.2 | Confident | 62 Ų | 62 | 55.1 Ų | 55.1 | 29% | 0.29 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -151.2 | 145.6 | -171.8 | -163.6 | -178.7 | -7.9 | 0 | 0 | 109.9 | R77 L80 E107 M142 N144 | R77-Q82 PolarHBondContact O-N 3.07Å; L80-Q82 HydrophobicContact CB-CB 4.38Å; L80-Q82 PolarHBondContact O-N 2.73Å; L80-Q82 VanDerWaalsContact O-N 3.08Å; Q82-E107 PolarHBondContact NE2-OE1 3.34Å; Q82-M142 HydrophobicContact CB-CE 4.07Å; Q82-M142 HydrophobicContact CG-CE 3.61Å; Q82-M142 VanDerWaalsContact OE1-CE 3.24Å; Q82-N144 PolarHBondContact OE1-ND2 3.27Å |
| 83 | D | 95.1 | Very high | 86.6 | Confident | 83 Ų | 83 | 59.2 Ų | 59.2 | 44% | 0.444 | 31% | 0.31 | S | S | . | . | trans | -72.7 | 145.2 | 170 | -70.2 | 9.9 | 0 | 0 | 0 | 109.5 | R77 M87 M142 | R77-D83 IonicContact CZ-OD1 3.39Å; R77-D83 IonicContact NE-OD1 3.96Å; R77-D83 PolarHBondContact NE-OD1 2.89Å; R77-D83 IonicContact NH2-OD1 3.76Å; R77-D83 PolarHBondContact NH2-OD1 3.48Å; R77-D83 IonicContact NH2-OD2 2.77Å; R77-D83 PolarHBondContact NH2-OD2 2.85Å; D83-M87 WeakPolarHBondContact CA-SD 3.25Å; D83-M87 HydrophobicContact CB-SD 3.47Å; D83-M87 WeakPolarHBondContact CB-SD 3.35Å; D83-M142 VanDerWaalsContact O-CE 3.25Å; D83-M142 WeakPolarHBondContact O-CE 3.41Å | ||
| 84 | F | 95.4 | Very high | 85 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | trans | -119.8 | 145.4 | 179.9 | 60.7 | -89.9 | 0 | 0 | 0 | 112 | T73 I76 L80 G86 M87 I99 V101 M142 | T73-F84 HydrophobicContact CG2-CE1 4.25Å; T73-F84 HydrophobicContact CG2-CZ 3.81Å; I76-F84 HydrophobicContact CB-CE1 3.81Å; I76-F84 HydrophobicContact CB-CZ 4.3Å; I76-F84 HydrophobicContact CD1-CZ 4.29Å; I76-F84 HydrophobicContact CG2-CD1 3.97Å; I76-F84 HydrophobicContact CG2-CE1 3.53Å; I76-F84 HydrophobicContact CG2-CZ 4.1Å; L80-F84 HydrophobicContact CD1-CD1 4.25Å; F84-G86 PolarHBondContact O-N 3.39Å; F84-M87 HydrophobicContact CD1-CB 4.13Å; F84-M87 HydrophobicContact CD1-SD 4.15Å; F84-M87 HydrophobicContact CD2-CB 3.8Å; F84-M87 HydrophobicContact CE1-CB 3.92Å; F84-M87 HydrophobicContact CE1-CE 4.26Å; F84-M87 HydrophobicContact CE1-SD 4.42Å; F84-M87 HydrophobicContact CE2-CB 3.57Å; F84-M87 HydrophobicContact CG-CB 4.08Å; F84-M87 HydrophobicContact CZ-CB 3.66Å; F84-M87 PolarHBondContact N-SD 2.63Å; F84-M87 VanDerWaalsContact O-CB 3.27Å; F84-M87 WeakPolarHBondContact O-CB 3.33Å; F84-M87 WeakPolarHBondContact O-CG 3.34Å; F84-M87 PolarHBondContact O-N 3.11Å; F84-M87 VanDerWaalsContact O-N 3.11Å; F84-I99 HydrophobicContact CE2-CD1 4.42Å; F84-I99 HydrophobicContact CE2-CG2 4.16Å; F84-V101 HydrophobicContact CB-CG1 4.24Å; F84-V101 HydrophobicContact CD2-CG1 4.37Å; F84-V101 HydrophobicContact CD2-CG2 3.74Å; F84-V101 HydrophobicContact CE2-CG2 3.66Å; F84-V101 HydrophobicContact CG-CG1 4.24Å; F84-V101 HydrophobicContact CG-CG2 4.3Å; F84-V101 HydrophobicContact CZ-CG2 4.15Å; F84-M142 HydrophobicContact CB-CE 4.47Å; F84-M142 HydrophobicContact CB-SD 3.35Å; F84-M142 WeakPolarHBondContact CB-SD 3.25Å | ||
| 85 | P | 94.4 | Very high | 83.4 | Confident | 27 Ų | 27 | 59.7 Ų | 59.7 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 134 | -178.6 | -28.3 | 35 | 0 | 0 | 0 | 113.2 | M87 E107 V109 S140 | P85-M87 VanDerWaalsContact C-N 3.27Å; P85-M87 PolarHBondContact O-N 3.29Å; P85-E107 HydrophobicContact CG-CB 4.04Å; P85-V109 HydrophobicContact CB-CG2 3.58Å; P85-S140 WeakPolarHBondContact CD-OG 3.4Å; P85-S140 WeakPolarHBondContact O-CB 3.43Å; P85-S140 PolarHBondContact O-OG 2.77Å |
| 86 | G | 88.1 | Confident | 82.4 | Confident | 41 Ų | 41 | 64.8 Ų | 64.8 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -0.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | F84 | F84-G86 PolarHBondContact O-N 3.39Š|
| 87 | M | 89 | Confident | 81.9 | Confident | 36 Ų | 36 | 65.1 Ų | 65.1 | 18% | 0.177 | 34% | 0.344 | C | S | . | . | trans | -64.9 | 145.1 | 173.2 | 75.7 | -179.3 | -64.3 | 0 | 0 | 111.9 | T73 R77 D83 F84 P85 I89 | T73-M87 HydrophobicContact CG2-CB 4.08Å; T73-M87 HydrophobicContact CG2-CE 4.24Å; R77-M87 HydrophobicContact CB-CE 4.02Å; R77-M87 HydrophobicContact CG-CE 4.04Å; D83-M87 WeakPolarHBondContact CA-SD 3.25Å; D83-M87 HydrophobicContact CB-SD 3.47Å; D83-M87 WeakPolarHBondContact CB-SD 3.35Å; F84-M87 HydrophobicContact CD1-CB 4.13Å; F84-M87 HydrophobicContact CD1-SD 4.15Å; F84-M87 HydrophobicContact CD2-CB 3.8Å; F84-M87 HydrophobicContact CE1-CB 3.92Å; F84-M87 HydrophobicContact CE1-CE 4.26Å; F84-M87 HydrophobicContact CE1-SD 4.42Å; F84-M87 HydrophobicContact CE2-CB 3.57Å; F84-M87 HydrophobicContact CG-CB 4.08Å; F84-M87 HydrophobicContact CZ-CB 3.66Å; F84-M87 PolarHBondContact N-SD 2.63Å; F84-M87 VanDerWaalsContact O-CB 3.27Å; F84-M87 WeakPolarHBondContact O-CB 3.33Å; F84-M87 WeakPolarHBondContact O-CG 3.34Å; F84-M87 PolarHBondContact O-N 3.11Å; F84-M87 VanDerWaalsContact O-N 3.11Å; P85-M87 VanDerWaalsContact C-N 3.27Å; P85-M87 PolarHBondContact O-N 3.29Å; M87-I89 HydrophobicContact CE-CD1 3.36Å; M87-I89 HydrophobicContact CE-CG1 3.85Å | ||
| 88 | R | 79.2 | Confident | 81.9 | Confident | 158 Ų | 158 | 59.9 Ų | 59.9 | 60% | 0.596 | 32% | 0.324 | S | S | * | . | trans | -137.9 | 119.7 | 171.5 | -65.4 | -176.8 | 177.6 | -177.7 | 0.8 | 109.3 | T94 | R88-T94 HydrophobicContact CB-CG2 4.15Å; R88-T94 WeakPolarHBondContact CD-O 3.31Å | ||
| 89 | I | 77.9 | Confident | 82 | Confident | 84 Ų | 84 | 57.6 Ų | 57.6 | 43% | 0.431 | 32% | 0.316 | S | S | . | . | trans | -115 | 119.4 | 174.8 | -61.7 | 175.6 | 0 | 0 | 0 | 107.8 | T73 M87 | T73-I89 HydrophobicContact CG2-CD1 4.45Å; T73-I89 HydrophobicContact CG2-CG1 3.82Å; M87-I89 HydrophobicContact CE-CD1 3.36Å; M87-I89 HydrophobicContact CE-CG1 3.85Å | ||
| 90 | G | 68.2 | Low | 82.1 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 27% | 0.268 | 32% | 0.315 | S | S | . | . | trans | -164.7 | 163.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y68 E92 | Y68-G90 PolarHBondContact OH-O 3.36Å; G90-E92 VanDerWaalsContact C-N 3.28Å; G90-E92 PolarHBondContact O-N 2.88Å | ||
| 91 | P | 57.4 | Low | 82.3 | Confident | 116 Ų | 116 | 57.3 Ų | 57.3 | 75% | 0.753 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -75.2 | -12.8 | 179.9 | 31 | -35.1 | 0 | 0 | 0 | 114 | Y68 | Y68-P91 WeakPolarHBondContact CE1-O 3.43Å; Y68-P91 PolarHBondContact OH-O 2.97Å |
| 92 | E | 62.5 | Low | 82.4 | Confident | 150 Ų | 150 | 51.6 Ų | 51.6 | 70% | 0.701 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -101.7 | 154.3 | 174.7 | -57.9 | -172.9 | 169 | 0 | 0 | 112.1 | Y68 G90 T94 | Y68-E92 VanDerWaalsContact CZ-O 3.32Å; Y68-E92 VanDerWaalsContact OH-CA 3.3Å; Y68-E92 WeakPolarHBondContact OH-CA 3.47Å; Y68-E92 PolarHBondContact OH-N 3.12Å; Y68-E92 VanDerWaalsContact OH-N 3.09Å; Y68-E92 PolarHBondContact OH-O 3.36Å; G90-E92 VanDerWaalsContact C-N 3.28Å; G90-E92 PolarHBondContact O-N 2.88Å; E92-T94 WeakPolarHBondContact O-CA 2.92Å; E92-T94 WeakPolarHBondContact O-CB 3.27Å; E92-T94 VanDerWaalsContact O-CG2 3.29Å; E92-T94 WeakPolarHBondContact O-CG2 3.48Å; E92-T94 PolarHBondContact O-N 3.47Å; E92-T94 PolarHBondContact O-OG1 2.93Å |
| 93 | P | 61.9 | Low | 82.6 | Confident | 98 Ų | 98 | 50.5 Ų | 50.5 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | trans | -43.3 | 93.9 | 176.8 | -30.4 | 37.1 | 0 | 0 | 0 | 113.4 | Y68 | Y68-P93 HydrophobicContact CD2-CB 4.43Å; Y68-P93 HydrophobicContact CD2-CG 4.42Å; Y68-P93 HydrophobicContact CE2-CB 4.2Å; Y68-P93 HydrophobicContact CE2-CG 4.29Å; Y68-P93 VanDerWaalsContact CZ-N 3.31Å | ||
| 94 | T | 60 | Low | 82.6 | Confident | 37 Ų | 37 | 47 Ų | 47 | 23% | 0.227 | 27% | 0.266 | C | S | . | . | trans | -102.8 | -36.9 | -165.1 | 20.6 | 0 | 0 | 0 | 0 | 112.2 | R88 E92 | R88-T94 HydrophobicContact CB-CG2 4.15Å; R88-T94 WeakPolarHBondContact CD-O 3.31Å; E92-T94 WeakPolarHBondContact O-CA 2.92Å; E92-T94 WeakPolarHBondContact O-CB 3.27Å; E92-T94 VanDerWaalsContact O-CG2 3.29Å; E92-T94 WeakPolarHBondContact O-CG2 3.48Å; E92-T94 PolarHBondContact O-N 3.47Å; E92-T94 PolarHBondContact O-OG1 2.93Å | ||
| 95 | T | 62.4 | Low | 82.5 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 13% | 0.129 | 30% | 0.301 | C | S | . | . | trans | -102.3 | 104 | 175.6 | -51.5 | 0 | 0 | 0 | 0 | 109.2 | G97 I99 | T95-G97 WeakPolarHBondContact CG2-O 3.44Å; T95-I99 HydrophobicContact CG2-CD1 4.18Å; T95-I99 HydrophobicContact CG2-CG1 4.49Å | ||
| 96 | D | 75.4 | Confident | 82.5 | Confident | 106 Ų | 106 | 58 Ų | 58 | 57% | 0.567 | 32% | 0.322 | S | S | * | . | trans | -99.1 | -2.3 | -179 | 65.1 | -23.4 | 0 | 0 | 0 | 113.5 | ||||
| 97 | G | 87.4 | Confident | 82.9 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 7% | 0.072 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -140.8 | 168.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T95 R136 | T95-G97 WeakPolarHBondContact CG2-O 3.44Å; G97-R136 CarbonylContact C-O 3.22Å; G97-R136 VanDerWaalsContact C-O 3.29Å; G97-R136 WeakPolarHBondContact CA-O 3.45Å |
| 98 | F | 94.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 139.3 | 173.3 | -73.6 | -103.9 | 0 | 0 | 0 | 110.1 | F133 R136 F137 I138 I153 D154 T155 P156 Y170 F172 V175 L176 F179 | F98-F133 HydrophobicContact CD2-CD2 4.42Å; F98-F133 AromaticContact CD2-CE2 3.56Å; F98-F133 HydrophobicContact CD2-CE2 3.56Å; F98-F133 HydrophobicContact CD2-CZ 4.37Å; F98-F133 AromaticContact CE2-CE2 3.82Å; F98-F133 HydrophobicContact CE2-CE2 3.82Å; F98-F133 HydrophobicContact CG-CE2 4.16Å; F98-R136 PolarHBondContact N-O 3.32Å; F98-F137 HydrophobicContact CB-CD2 3.53Å; F98-F137 HydrophobicContact CB-CE2 4.15Å; F98-F137 HydrophobicContact CB-CG 4.45Å; F98-F137 WeakPolarHBondContact O-CA 3.12Å; F98-F137 WeakPolarHBondContact O-CD2 3.45Å; F98-I138 PolarHBondContact O-N 3.34Å; F98-I153 HydrophobicContact CD1-CG2 4.35Å; F98-D154 WeakPolarHBondContact CA-O 3.46Å; F98-T155 HydrophobicContact CD1-CG2 3.83Å; F98-T155 HydrophobicContact CE1-CG2 3.58Å; F98-P156 HydrophobicContact CD2-CG 3.89Å; F98-P156 HydrophobicContact CE2-CG 3.97Å; F98-Y170 AromaticContact CE2-CE2 3.9Å; F98-Y170 HydrophobicContact CE2-CE2 3.9Å; F98-F172 HydrophobicContact CE1-CE2 4.44Å; F98-F172 AromaticContact CE2-CD2 3.92Å; F98-F172 HydrophobicContact CE2-CD2 3.92Å; F98-F172 AromaticContact CE2-CE2 3.87Å; F98-F172 HydrophobicContact CE2-CE2 3.87Å; F98-F172 AromaticContact CZ-CD2 3.76Å; F98-F172 HydrophobicContact CZ-CD2 3.76Å; F98-F172 AromaticContact CZ-CE2 3.48Å; F98-F172 HydrophobicContact CZ-CE2 3.48Å; F98-F172 VanDerWaalsContact CZ-CE2 3.48Å; F98-F172 HydrophobicContact CZ-CZ 4.49Å; F98-V175 HydrophobicContact CE1-CG1 3.83Å; F98-V175 HydrophobicContact CE2-CG1 3.89Å; F98-V175 HydrophobicContact CZ-CB 4.27Å; F98-V175 HydrophobicContact CZ-CG1 3.48Å; F98-V175 VanDerWaalsContact CZ-CG1 3.48Å; F98-L176 HydrophobicContact CE1-CD2 4.07Å; F98-L176 HydrophobicContact CZ-CD2 4.28Å; F98-F179 HydrophobicContact CD1-CD2 4.35Å; F98-F179 AromaticContact CD1-CE2 3.78Å; F98-F179 HydrophobicContact CD1-CE2 3.78Å; F98-F179 HydrophobicContact CD1-CZ 4.46Å; F98-F179 HydrophobicContact CE1-CD2 4.13Å; F98-F179 AromaticContact CE1-CE2 3.95Å; F98-F179 HydrophobicContact CE1-CE2 3.95Å |
| 99 | I | 96.8 | Very high | 84 | Confident | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 112.6 | 177.9 | -50.2 | -178.6 | 0 | 0 | 0 | 108.8 | F84 T95 V101 I138 I153 D154 | F84-I99 HydrophobicContact CE2-CD1 4.42Å; F84-I99 HydrophobicContact CE2-CG2 4.16Å; T95-I99 HydrophobicContact CG2-CD1 4.18Å; T95-I99 HydrophobicContact CG2-CG1 4.49Å; I99-V101 HydrophobicContact CG2-CG2 3.85Å; I99-V101 PolarHBondContact O-N 3.15Å; I99-I138 CarbonylContact C-O 3.56Å; I99-I138 WeakPolarHBondContact CA-O 3.3Å; I99-I138 HydrophobicContact CB-CG1 4.22Å; I99-I138 HydrophobicContact CD1-CD1 4.21Å; I99-I138 HydrophobicContact CG1-CD1 3.98Å; I99-I138 HydrophobicContact CG1-CG1 3.85Å; I99-I138 HydrophobicContact CG2-CD1 4.21Å; I99-I138 HydrophobicContact CG2-CG1 4.04Å; I99-I153 WeakPolarHBondContact O-CA 3.27Å; I99-D154 HydrophobicContact CB-CB 4.08Å; I99-D154 PolarHBondContact N-O 2.99Å; I99-D154 PolarHBondContact O-N 3.21Å |
| 100 | A | 97.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 98.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | M102 F123 F137 I138 C139 S140 I153 | A100-M102 HydrophobicContact CB-CG 4.38Å; A100-M102 PolarHBondContact O-N 3.22Å; A100-F123 HydrophobicContact CB-CE2 4.1Å; A100-F123 HydrophobicContact CB-CZ 3.85Å; A100-F137 HydrophobicContact CB-CE2 3.94Å; A100-F137 HydrophobicContact CB-CZ 4.1Å; A100-I138 PolarHBondContact N-O 3.17Å; A100-C139 HydrophobicContact CB-CB 4.31Å; A100-C139 CarbonylContact O-C 3.58Å; A100-C139 VanDerWaalsContact O-CA 3.25Å; A100-C139 WeakPolarHBondContact O-CA 3.3Å; A100-C139 PolarHBondContact O-SG 3.48Å; A100-C139 VanDerWaalsContact O-SG 3.38Å; A100-S140 PolarHBondContact O-N 2.82Å; A100-I153 HydrophobicContact CB-CD1 3.67Å |
| 101 | V | 98 | Very high | 86.2 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 112.8 | 175.9 | -169.2 | 0 | 0 | 0 | 0 | 108.6 | I76 L80 F84 I99 S140 L147 I152 | I76-V101 HydrophobicContact CD1-CG2 4.5Å; I76-V101 HydrophobicContact CG2-CG2 4.43Å; L80-V101 HydrophobicContact CD1-CG1 4.03Å; F84-V101 HydrophobicContact CB-CG1 4.24Å; F84-V101 HydrophobicContact CD2-CG1 4.37Å; F84-V101 HydrophobicContact CD2-CG2 3.74Å; F84-V101 HydrophobicContact CE2-CG2 3.66Å; F84-V101 HydrophobicContact CG-CG1 4.24Å; F84-V101 HydrophobicContact CG-CG2 4.3Å; F84-V101 HydrophobicContact CZ-CG2 4.15Å; I99-V101 HydrophobicContact CG2-CG2 3.85Å; I99-V101 PolarHBondContact O-N 3.15Å; V101-S140 WeakPolarHBondContact CA-O 3.29Å; V101-L147 HydrophobicContact CG1-CD1 3.85Å; V101-L147 HydrophobicContact CG1-CD2 4.09Å; V101-I152 WeakPolarHBondContact CA-O 3.4Å; V101-I152 HydrophobicContact CB-CB 4.49Å; V101-I152 PolarHBondContact N-O 3.41Å; V101-I152 PolarHBondContact O-N 3.02Å |
| 102 | M | 96.8 | Very high | 87.9 | Confident | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 161.2 | -172.3 | -56 | -170.9 | 89.5 | 0 | 0 | 111.2 | A100 K121 F123 S140 Q141 M142 | A100-M102 HydrophobicContact CB-CG 4.38Å; A100-M102 PolarHBondContact O-N 3.22Å; M102-K121 HydrophobicContact CE-CD 4.24Å; M102-K121 HydrophobicContact SD-CD 4.01Å; M102-F123 HydrophobicContact CE-CE2 4.19Å; M102-F123 HydrophobicContact CE-CZ 4.33Å; M102-F123 HydrophobicContact SD-CE2 3.59Å; M102-F123 VanDerWaalsContact SD-CE2 3.59Å; M102-F123 HydrophobicContact SD-CZ 4.04Å; M102-S140 PolarHBondContact N-O 3.15Å; M102-Q141 WeakPolarHBondContact O-CA 3.12Å; M102-M142 PolarHBondContact O-N 3.46Å |
| 103 | H | 96.5 | Very high | 89.4 | Confident | 39 Ų | 39 | 48.1 Ų | 48.1 | 18% | 0.181 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 140.5 | 171.7 | -175.1 | 76.9 | 0 | 0 | 0 | 111.4 | N144 L147 | H103-N144 PolarHBondContact ND1-O 3.01Å; H103-L147 HydrophobicContact CB-CB 3.82Å; H103-L147 WeakPolarHBondContact CB-O 3.5Å |
| 104 | G | 94.8 | Very high | 90.9 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 9% | 0.093 | 27% | 0.265 | C | S | . | . | trans | -150.6 | 157 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | T106 M142 P143 | G104-T106 PolarHBondContact O-N 3.36Å; G104-M142 PolarHBondContact N-O 2.92Å; G104-M142 VanDerWaalsContact N-O 3.1Å; G104-M142 CarbonylContact O-C 3.55Å; G104-P143 VanDerWaalsContact O-CA 3.25Å; G104-P143 WeakPolarHBondContact O-CA 3.23Å | ||
| 105 | E | 94.3 | Very high | 92.5 | Very high | 161 Ų | 161 | 44.1 Ų | 44.1 | 75% | 0.752 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -66.8 | -25.5 | 179.1 | -60.2 | -61.8 | 158.7 | 0 | 0 | 112.4 | ||
| 106 | T | 93.5 | Very high | 93.9 | Very high | 103 Ų | 103 | 43.5 Ų | 43.5 | 63% | 0.632 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -130.3 | 147.9 | -178.5 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | G104 | G104-T106 PolarHBondContact O-N 3.36Š|
| 107 | E | 96.1 | Very high | 94.7 | Very high | 121 Ų | 121 | 43.5 Ų | 43.5 | 57% | 0.565 | 26% | 0.255 | S | S | * | . | trans | -67.1 | 131.3 | 172 | -66.6 | -172.1 | 172.4 | 0 | 0 | 111.2 | Q82 P85 Q141 M142 | Q82-E107 PolarHBondContact NE2-OE1 3.34Å; P85-E107 HydrophobicContact CG-CB 4.04Å; E107-Q141 CarbonylContact C-O 3.3Å; E107-Q141 VanDerWaalsContact CA-O 3.26Å; E107-Q141 WeakPolarHBondContact CA-O 3.47Å; E107-M142 HydrophobicContact CG-CB 3.96Å | ||
| 108 | G | 95.8 | Very high | 94.8 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | 169 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q141 | G108-Q141 PolarHBondContact N-O 3.48Å; G108-Q141 PolarHBondContact O-N 2.97Å |
| 109 | V | 96.4 | Very high | 94.3 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 39% | 0.388 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.1 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | P85 I138 C139 | P85-V109 HydrophobicContact CB-CG2 3.58Å; V109-I138 HydrophobicContact CG1-CB 3.84Å; V109-I138 HydrophobicContact CG1-CD1 3.91Å; V109-I138 HydrophobicContact CG1-CG1 4.39Å; V109-I138 HydrophobicContact CG1-CG2 4.17Å; V109-C139 CarbonylContact C-O 3.58Å; V109-C139 WeakPolarHBondContact CA-O 3.47Å |
| 110 | V | 95.8 | Very high | 93.9 | Very high | 43 Ų | 43 | 57.9 Ų | 57.9 | 26% | 0.261 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 119.5 | 174.3 | -176 | 0 | 0 | 0 | 0 | 108.9 | A114 L115 I138 C139 | V110-A114 HydrophobicContact CG1-CB 3.98Å; V110-L115 HydrophobicContact CG1-CB 4.33Å; V110-I138 WeakPolarHBondContact O-CA 3.16Å; V110-C139 HydrophobicContact CB-CB 4.29Å; V110-C139 PolarHBondContact N-O 2.9Å; V110-C139 PolarHBondContact O-N 3.22Å |
| 111 | P | 95.9 | Very high | 93.4 | Very high | 78 Ų | 78 | 59.4 Ų | 59.4 | 51% | 0.506 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 149.8 | 176.5 | -22.6 | 33.5 | 0 | 0 | 0 | 113 | N113 A114 L115 | P111-N113 VanDerWaalsContact C-N 3.31Å; P111-N113 PolarHBondContact O-N 3.18Å; P111-A114 PolarHBondContact O-N 2.67Å; P111-L115 PolarHBondContact O-N 2.86Å |
| 112 | G | 93.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55 | -40.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | A114 L115 V116 F137 | G112-A114 VanDerWaalsContact C-N 3.26Å; G112-A114 PolarHBondContact O-N 2.95Å; G112-L115 WeakPolarHBondContact O-CB 3.31Å; G112-L115 PolarHBondContact O-N 3.18Å; G112-V116 WeakPolarHBondContact O-CG1 3.27Å; G112-V116 PolarHBondContact O-N 3.04Å; G112-F137 WeakPolarHBondContact CA-O 3.21Å; G112-F137 PolarHBondContact N-O 3.01Å |
| 113 | N | 93.3 | Very high | 92.9 | Very high | 69 Ų | 69 | 59 Ų | 59 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.1 | -35.8 | 176.7 | -66.6 | -22.3 | 0 | 0 | 0 | 112.8 | P111 L134 N135 | P111-N113 VanDerWaalsContact C-N 3.31Å; P111-N113 PolarHBondContact O-N 3.18Å; N113-L134 WeakPolarHBondContact OD1-CB 3.5Å; N113-L134 VanDerWaalsContact OD1-CD1 3.32Å; N113-L134 WeakPolarHBondContact OD1-CD1 3.25Å; N113-N135 PolarHBondContact ND2-OD1 3.44Å |
| 114 | A | 94 | Very high | 92.6 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 41% | 0.405 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -81.6 | -30.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V110 P111 G112 V117 | V110-A114 HydrophobicContact CG1-CB 3.98Å; P111-A114 PolarHBondContact O-N 2.67Å; G112-A114 VanDerWaalsContact C-N 3.26Å; G112-A114 PolarHBondContact O-N 2.95Å; A114-V117 WeakPolarHBondContact O-CG2 3.39Å |
| 115 | L | 93 | Very high | 92.3 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.2 | -37.7 | -178.9 | -174.2 | 64.5 | 0 | 0 | 0 | 112.7 | V110 P111 G112 V117 D118 K121 F123 F137 C139 | V110-L115 HydrophobicContact CG1-CB 4.33Å; P111-L115 PolarHBondContact O-N 2.86Å; G112-L115 WeakPolarHBondContact O-CB 3.31Å; G112-L115 PolarHBondContact O-N 3.18Å; L115-V117 PolarHBondContact O-N 3.37Å; L115-D118 PolarHBondContact O-N 2.92Å; L115-K121 HydrophobicContact CD1-CB 4.29Å; L115-K121 HydrophobicContact CD1-CD 4.45Å; L115-K121 HydrophobicContact CD1-CG 3.99Å; L115-F123 HydrophobicContact CD1-CD2 3.87Å; L115-F123 HydrophobicContact CD1-CE2 4.39Å; L115-F123 HydrophobicContact CD2-CB 4.39Å; L115-F123 HydrophobicContact CD2-CD2 3.59Å; L115-F123 HydrophobicContact CD2-CE2 4.15Å; L115-F123 HydrophobicContact CD2-CG 4.17Å; L115-F123 HydrophobicContact CG-CB 4.23Å; L115-F123 HydrophobicContact CG-CD2 3.67Å; L115-F123 HydrophobicContact CG-CE2 4.5Å; L115-F123 HydrophobicContact CG-CG 4.33Å; L115-F137 HydrophobicContact CD2-CD1 4.08Å; L115-F137 HydrophobicContact CD2-CE1 3.38Å; L115-F137 HydrophobicContact CD2-CZ 3.64Å; L115-F137 HydrophobicContact CG-CE1 4.43Å; L115-C139 HydrophobicContact CD1-CB 3.72Å; L115-C139 HydrophobicContact CD2-CB 3.54Å; L115-C139 HydrophobicContact CG-CB 4.23Å |
| 116 | V | 93 | Very high | 92.2 | Very high | 8 Ų | 8 | 56.5 Ų | 56.5 | 5% | 0.048 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -9.9 | -179.2 | -61 | 0 | 0 | 0 | 0 | 113.8 | G112 F123 R124 L126 N127 L134 | G112-V116 WeakPolarHBondContact O-CG1 3.27Å; G112-V116 PolarHBondContact O-N 3.04Å; V116-F123 WeakPolarHBondContact CG1-O 3.43Å; V116-R124 VanDerWaalsContact O-CA 3.29Å; V116-R124 WeakPolarHBondContact O-CA 3.35Å; V116-R124 WeakPolarHBondContact O-CB 3.49Å; V116-R124 VanDerWaalsContact O-CG 3.31Å; V116-R124 WeakPolarHBondContact O-CG 3.46Å; V116-L126 HydrophobicContact CG1-CB 4.1Å; V116-N127 HydrophobicContact CB-CB 4.41Å; V116-N127 HydrophobicContact CG2-CB 4.3Å; V116-L134 HydrophobicContact CG1-CD2 3.51Å; V116-L134 HydrophobicContact CG2-CD1 4.11Å; V116-L134 HydrophobicContact CG2-CD2 4.37Å |
| 117 | V | 91.3 | Very high | 92 | Very high | 106 Ų | 106 | 56.3 Ų | 56.3 | 64% | 0.642 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -8.8 | 173.9 | -61.3 | 0 | 0 | 0 | 0 | 113 | A114 L115 P119 | A114-V117 WeakPolarHBondContact O-CG2 3.39Å; L115-V117 PolarHBondContact O-N 3.37Å; V117-P119 WeakPolarHBondContact O-CD 3.34Å |
| 118 | D | 88.6 | Confident | 91.6 | Very high | 52 Ų | 52 | 55 Ų | 55 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | trans | -79.6 | 113 | 179.2 | -173.9 | -11.2 | 0 | 0 | 0 | 111 | L115 K120 K121 | L115-D118 PolarHBondContact O-N 2.92Å; D118-K120 PolarHBondContact O-N 3.26Å; D118-K120 WeakPolarHBondContact OD1-CB 3.48Å; D118-K120 PolarHBondContact OD1-N 2.97Å; D118-K121 HydrophobicContact CB-CB 4.23Å; D118-K121 HydrophobicContact CB-CG 3.94Å; D118-K121 PolarHBondContact O-N 3.05Å; D118-K121 VanDerWaalsContact OD2-CG 3.29Å; D118-K121 WeakPolarHBondContact OD2-CG 3.42Å | ||
| 119 | P | 85.9 | Confident | 91.4 | Very high | 85 Ų | 85 | 56.1 Ų | 56.1 | 55% | 0.552 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -13.2 | -179.4 | 31 | -36.8 | 0 | 0 | 0 | 113.4 | V117 K121 | V117-P119 WeakPolarHBondContact O-CD 3.34Å; P119-K121 VanDerWaalsContact C-N 3.34Å |
| 120 | K | 86.8 | Confident | 91.1 | Very high | 180 Ų | 180 | 54.3 Ų | 54.3 | 78% | 0.783 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -9.8 | 177.5 | -60.2 | -178.9 | 179.2 | 179.1 | 0 | 112.4 | D118 | D118-K120 PolarHBondContact O-N 3.26Å; D118-K120 WeakPolarHBondContact OD1-CB 3.48Å; D118-K120 PolarHBondContact OD1-N 2.97Å |
| 121 | K | 88.5 | Confident | 90.8 | Very high | 32 Ų | 32 | 57.3 Ų | 57.3 | 14% | 0.139 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -106.5 | 139.9 | -177.5 | -62.7 | -70.2 | -172.4 | 173.6 | 0 | 110.1 | M102 L115 D118 P119 F123 | M102-K121 HydrophobicContact CE-CD 4.24Å; M102-K121 HydrophobicContact SD-CD 4.01Å; L115-K121 HydrophobicContact CD1-CB 4.29Å; L115-K121 HydrophobicContact CD1-CD 4.45Å; L115-K121 HydrophobicContact CD1-CG 3.99Å; D118-K121 HydrophobicContact CB-CB 4.23Å; D118-K121 HydrophobicContact CB-CG 3.94Å; D118-K121 PolarHBondContact O-N 3.05Å; D118-K121 VanDerWaalsContact OD2-CG 3.29Å; D118-K121 WeakPolarHBondContact OD2-CG 3.42Å; P119-K121 VanDerWaalsContact C-N 3.34Å; K121-F123 HydrophobicContact CB-CD2 3.87Å; K121-F123 HydrophobicContact CB-CE2 4.46Å; K121-F123 PolarHBondContact O-N 3.03Å |
| 122 | P | 89.9 | Confident | 90.5 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 21.2 | -177.1 | 34.2 | -37.4 | 0 | 0 | 0 | 113.2 | M61 W178 | M61-P122 HydrophobicContact SD-CG 4.44Å; P122-W178 VanDerWaalsContact O-CH2 3.25Å; P122-W178 WeakPolarHBondContact O-CH2 3.47Å |
| 123 | F | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -5.8 | -169.1 | -58 | -51.1 | 0 | 0 | 0 | 114.2 | M61 A100 M102 L115 V116 K121 K125 L126 F137 I153 W178 F179 | M61-F123 HydrophobicContact SD-CE1 4.27Å; M61-F123 HydrophobicContact SD-CZ 4.45Å; A100-F123 HydrophobicContact CB-CE2 4.1Å; A100-F123 HydrophobicContact CB-CZ 3.85Å; M102-F123 HydrophobicContact CE-CE2 4.19Å; M102-F123 HydrophobicContact CE-CZ 4.33Å; M102-F123 HydrophobicContact SD-CE2 3.59Å; M102-F123 VanDerWaalsContact SD-CE2 3.59Å; M102-F123 HydrophobicContact SD-CZ 4.04Å; L115-F123 HydrophobicContact CD1-CD2 3.87Å; L115-F123 HydrophobicContact CD1-CE2 4.39Å; L115-F123 HydrophobicContact CD2-CB 4.39Å; L115-F123 HydrophobicContact CD2-CD2 3.59Å; L115-F123 HydrophobicContact CD2-CE2 4.15Å; L115-F123 HydrophobicContact CD2-CG 4.17Å; L115-F123 HydrophobicContact CG-CB 4.23Å; L115-F123 HydrophobicContact CG-CD2 3.67Å; L115-F123 HydrophobicContact CG-CE2 4.5Å; L115-F123 HydrophobicContact CG-CG 4.33Å; V116-F123 WeakPolarHBondContact CG1-O 3.43Å; K121-F123 HydrophobicContact CB-CD2 3.87Å; K121-F123 HydrophobicContact CB-CE2 4.46Å; K121-F123 PolarHBondContact O-N 3.03Å; F123-K125 PolarHBondContact O-N 3.23Å; F123-L126 HydrophobicContact CB-CD1 4.03Å; F123-L126 HydrophobicContact CD1-CD1 3.96Å; F123-L126 HydrophobicContact CG-CD1 4.34Å; F123-L126 WeakPolarHBondContact O-CB 3.48Å; F123-L126 WeakPolarHBondContact O-CG 3.37Å; F123-L126 PolarHBondContact O-N 3.48Å; F123-F137 HydrophobicContact CB-CE1 4.14Å; F123-F137 HydrophobicContact CD1-CE1 4.35Å; F123-F137 AromaticContact CD1-CZ 3.95Å; F123-F137 HydrophobicContact CD1-CZ 3.95Å; F123-F137 HydrophobicContact CD2-CZ 4.37Å; F123-F137 HydrophobicContact CE1-CZ 4.26Å; F123-F137 HydrophobicContact CG-CE1 4.11Å; F123-F137 HydrophobicContact CG-CZ 4.03Å; F123-I153 HydrophobicContact CE1-CD1 4.42Å; F123-I153 HydrophobicContact CZ-CD1 4.34Å; F123-W178 HydrophobicContact CD1-CH2 4.23Å; F123-F179 HydrophobicContact CE1-CE1 4.23Å |
| 124 | R | 90.9 | Very high | 90.5 | Very high | 129 Ų | 129 | 53.5 Ų | 53.5 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -50.6 | -39.5 | -174.7 | -178.9 | 169.8 | -172.7 | -176.2 | 2 | 114.4 | E52 V116 L126 N127 | E52-R124 IonicContact OE2-NH1 3.95Å; V116-R124 VanDerWaalsContact O-CA 3.29Å; V116-R124 WeakPolarHBondContact O-CA 3.35Å; V116-R124 WeakPolarHBondContact O-CB 3.49Å; V116-R124 VanDerWaalsContact O-CG 3.31Å; V116-R124 WeakPolarHBondContact O-CG 3.46Å; R124-L126 PolarHBondContact O-N 3.23Å; R124-N127 WeakPolarHBondContact O-CB 3.38Å; R124-N127 PolarHBondContact O-N 3.4Å |
| 125 | K | 89.4 | Confident | 90.4 | Very high | 28 Ų | 28 | 56.5 Ų | 56.5 | 12% | 0.122 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -71.6 | -13.1 | -179 | -66.5 | 156.8 | -178.4 | 167.6 | 0 | 114.1 | P49 A50 E52 D55 F123 N127 A128 W178 | P49-K125 HydrophobicContact CB-CD 3.84Å; P49-K125 HydrophobicContact CB-CG 4.19Å; P49-K125 HydrophobicContact CG-CB 4.28Å; P49-K125 HydrophobicContact CG-CD 3.64Å; P49-K125 HydrophobicContact CG-CG 4.17Å; A50-K125 WeakPolarHBondContact O-CE 3.42Å; A50-K125 PolarHBondContact O-NZ 3.37Å; E52-K125 WeakPolarHBondContact OE1-CE 3.02Å; D55-K125 IonicContact OD2-NZ 2.83Å; D55-K125 PolarHBondContact OD2-NZ 2.99Å; F123-K125 PolarHBondContact O-N 3.23Å; K125-N127 PolarHBondContact O-N 2.79Å; K125-A128 WeakPolarHBondContact O-CB 3.49Å; K125-A128 PolarHBondContact O-N 3.5Å; K125-W178 HydrophobicContact CB-CZ2 4.29Å |
| 126 | L | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -65.7 | -14.3 | 172.2 | -67.4 | 175.9 | 0 | 0 | 0 | 112.4 | V116 F123 R124 A128 F129 F133 L134 F137 W178 F179 | V116-L126 HydrophobicContact CG1-CB 4.1Å; F123-L126 HydrophobicContact CB-CD1 4.03Å; F123-L126 HydrophobicContact CD1-CD1 3.96Å; F123-L126 HydrophobicContact CG-CD1 4.34Å; F123-L126 WeakPolarHBondContact O-CB 3.48Å; F123-L126 WeakPolarHBondContact O-CG 3.37Å; F123-L126 PolarHBondContact O-N 3.48Å; R124-L126 PolarHBondContact O-N 3.23Å; L126-A128 PolarHBondContact O-N 3.42Å; L126-A128 VanDerWaalsContact O-N 3.12Å; L126-F129 HydrophobicContact CB-CD2 4.42Å; L126-F129 HydrophobicContact CD2-CD2 3.71Å; L126-F129 HydrophobicContact CD2-CE2 3.62Å; L126-F129 PolarHBondContact O-N 2.94Å; L126-F133 HydrophobicContact CB-CE1 3.9Å; L126-F133 HydrophobicContact CD1-CE1 4.06Å; L126-F133 HydrophobicContact CD1-CZ 4.32Å; L126-F133 HydrophobicContact CD2-CE1 4.11Å; L126-F133 HydrophobicContact CD2-CZ 4.35Å; L126-F133 HydrophobicContact CG-CE1 4.26Å; L126-L134 HydrophobicContact CB-CD2 4.45Å; L126-F137 HydrophobicContact CD1-CD1 3.94Å; L126-F137 HydrophobicContact CD1-CE1 3.32Å; L126-F137 HydrophobicContact CD1-CZ 3.73Å; L126-W178 HydrophobicContact CD1-CH2 4.14Å; L126-W178 HydrophobicContact CD1-CZ3 4.03Å; L126-W178 HydrophobicContact CD2-CD2 3.55Å; L126-W178 HydrophobicContact CD2-CE3 3.47Å; L126-W178 VanDerWaalsContact CD2-CE3 3.47Å; L126-W178 HydrophobicContact CD2-CG 4.19Å; L126-W178 HydrophobicContact CD2-CH2 4.02Å; L126-W178 HydrophobicContact CD2-CZ2 4.06Å; L126-W178 HydrophobicContact CD2-CZ3 3.73Å; L126-W178 HydrophobicContact CG-CD2 4.37Å; L126-W178 HydrophobicContact CG-CE3 4.21Å; L126-W178 HydrophobicContact CG-CH2 3.84Å; L126-W178 HydrophobicContact CG-CZ2 3.98Å; L126-W178 HydrophobicContact CG-CZ3 3.95Å; L126-F179 HydrophobicContact CD1-CZ 4.08Å |
| 127 | N | 88.8 | Confident | 90.4 | Very high | 99 Ų | 99 | 60.1 Ų | 60.1 | 53% | 0.529 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -55.6 | -26.7 | 171.5 | -169.1 | 51.7 | 0 | 0 | 0 | 112.9 | V116 R124 K125 F129 G130 | V116-N127 HydrophobicContact CB-CB 4.41Å; V116-N127 HydrophobicContact CG2-CB 4.3Å; R124-N127 WeakPolarHBondContact O-CB 3.38Å; R124-N127 PolarHBondContact O-N 3.4Å; K125-N127 PolarHBondContact O-N 2.79Å; N127-F129 PolarHBondContact O-N 3.38Å; N127-G130 PolarHBondContact O-N 2.98Å; N127-G130 VanDerWaalsContact O-N 3.08Å |
| 128 | A | 89 | Confident | 90.7 | Very high | 94 Ų | 94 | 57 Ų | 57 | 78% | 0.777 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -63 | -24 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K125 L126 G130 | K125-A128 WeakPolarHBondContact O-CB 3.49Å; K125-A128 PolarHBondContact O-N 3.5Å; L126-A128 PolarHBondContact O-N 3.42Å; L126-A128 VanDerWaalsContact O-N 3.12Å; A128-G130 VanDerWaalsContact C-N 3.25Å; A128-G130 PolarHBondContact O-N 3.37Å |
| 129 | F | 90.3 | Very high | 91.1 | Very high | 50 Ų | 50 | 54.6 Ų | 54.6 | 22% | 0.219 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -80.9 | -5.3 | 176.7 | -63.1 | -70.7 | 0 | 0 | 0 | 113.4 | L126 N127 F133 E174 V175 W178 | L126-F129 HydrophobicContact CB-CD2 4.42Å; L126-F129 HydrophobicContact CD2-CD2 3.71Å; L126-F129 HydrophobicContact CD2-CE2 3.62Å; L126-F129 PolarHBondContact O-N 2.94Å; N127-F129 PolarHBondContact O-N 3.38Å; F129-F133 HydrophobicContact CB-CB 3.7Å; F129-F133 HydrophobicContact CB-CD1 3.78Å; F129-F133 HydrophobicContact CB-CG 3.79Å; F129-F133 HydrophobicContact CD2-CD1 4.47Å; F129-F133 HydrophobicContact CG-CD1 4.48Å; F129-E174 HydrophobicContact CE1-CB 3.84Å; F129-E174 HydrophobicContact CZ-CB 4.48Å; F129-V175 HydrophobicContact CB-CG2 4.47Å; F129-V175 HydrophobicContact CD1-CG2 3.62Å; F129-V175 HydrophobicContact CD2-CG2 3.96Å; F129-V175 HydrophobicContact CE1-CG2 3.72Å; F129-V175 HydrophobicContact CE2-CG2 4.06Å; F129-V175 HydrophobicContact CG-CG2 3.75Å; F129-V175 HydrophobicContact CZ-CB 4.49Å; F129-V175 HydrophobicContact CZ-CG2 3.94Å; F129-W178 HydrophobicContact CE2-CB 4.12Å; F129-W178 HydrophobicContact CE2-CG 4.06Å; F129-W178 HydrophobicContact CZ-CB 4Å; F129-W178 HydrophobicContact CZ-CG 4.35Å |
| 130 | G | 90 | Very high | 91.6 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 28% | 0.278 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | 74.3 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | N127 A128 S132 F133 L134 | N127-G130 PolarHBondContact O-N 2.98Å; N127-G130 VanDerWaalsContact O-N 3.08Å; A128-G130 VanDerWaalsContact C-N 3.25Å; A128-G130 PolarHBondContact O-N 3.37Å; G130-S132 VanDerWaalsContact C-N 3.29Å; G130-S132 PolarHBondContact O-N 3.4Å; G130-F133 PolarHBondContact O-N 3.38Å; G130-F133 VanDerWaalsContact O-N 3.15Å; G130-L134 WeakPolarHBondContact O-CG 3.36Å; G130-L134 PolarHBondContact O-N 3.45Å; G130-L134 VanDerWaalsContact O-N 3.11Å |
| 131 | N | 90.3 | Very high | 92.1 | Very high | 106 Ų | 106 | 43.9 Ų | 43.9 | 57% | 0.567 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -60.6 | -32.7 | -171.1 | -73.8 | -33.8 | 0 | 0 | 0 | 114 | F133 L134 N135 | N131-F133 VanDerWaalsContact C-N 3.28Å; N131-F133 PolarHBondContact O-N 3.45Å; N131-L134 PolarHBondContact O-N 3.43Å; N131-N135 WeakPolarHBondContact O-CB 3.03Å; N131-N135 PolarHBondContact O-N 3.49Å; N131-N135 PolarHBondContact O-ND2 3.1Å |
| 132 | S | 90.1 | Very high | 92.5 | Very high | 66 Ų | 66 | 42.4 Ų | 42.4 | 46% | 0.462 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.3 | -40.5 | 177.9 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | G130 G169 | G130-S132 VanDerWaalsContact C-N 3.29Å; G130-S132 PolarHBondContact O-N 3.4Å; S132-G169 WeakPolarHBondContact CB-O 3.5Å; S132-G169 PolarHBondContact OG-O 3.32Å |
| 133 | F | 93.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -74.3 | -48.9 | 174.4 | 170.6 | -102.1 | 0 | 0 | 0 | 111.3 | F98 L126 F129 G130 N131 N135 R136 F137 Y170 V175 | F98-F133 HydrophobicContact CD2-CD2 4.42Å; F98-F133 AromaticContact CD2-CE2 3.56Å; F98-F133 HydrophobicContact CD2-CE2 3.56Å; F98-F133 HydrophobicContact CD2-CZ 4.37Å; F98-F133 AromaticContact CE2-CE2 3.82Å; F98-F133 HydrophobicContact CE2-CE2 3.82Å; F98-F133 HydrophobicContact CG-CE2 4.16Å; L126-F133 HydrophobicContact CB-CE1 3.9Å; L126-F133 HydrophobicContact CD1-CE1 4.06Å; L126-F133 HydrophobicContact CD1-CZ 4.32Å; L126-F133 HydrophobicContact CD2-CE1 4.11Å; L126-F133 HydrophobicContact CD2-CZ 4.35Å; L126-F133 HydrophobicContact CG-CE1 4.26Å; F129-F133 HydrophobicContact CB-CB 3.7Å; F129-F133 HydrophobicContact CB-CD1 3.78Å; F129-F133 HydrophobicContact CB-CG 3.79Å; F129-F133 HydrophobicContact CD2-CD1 4.47Å; F129-F133 HydrophobicContact CG-CD1 4.48Å; G130-F133 PolarHBondContact O-N 3.38Å; G130-F133 VanDerWaalsContact O-N 3.15Å; N131-F133 VanDerWaalsContact C-N 3.28Å; N131-F133 PolarHBondContact O-N 3.45Å; F133-N135 VanDerWaalsContact C-N 3.27Å; F133-N135 PolarHBondContact O-N 3.05Å; F133-R136 CarbonylContact O-C 3.57Å; F133-R136 VanDerWaalsContact O-C 3.22Å; F133-R136 WeakPolarHBondContact O-CA 3.33Å; F133-R136 PolarHBondContact O-N 2.95Å; F133-F137 HydrophobicContact CE1-CB 3.92Å; F133-F137 HydrophobicContact CE1-CD1 4Å; F133-F137 HydrophobicContact CE1-CG 4.05Å; F133-F137 HydrophobicContact CE2-CB 4.45Å; F133-F137 HydrophobicContact CZ-CB 3.89Å; F133-F137 HydrophobicContact CZ-CD1 4.27Å; F133-F137 HydrophobicContact CZ-CD2 4.38Å; F133-F137 AromaticContact CZ-CG 3.94Å; F133-F137 HydrophobicContact CZ-CG 3.94Å; F133-F137 PolarHBondContact O-N 3.44Å; F133-F137 VanDerWaalsContact O-N 3.17Å; F133-Y170 HydrophobicContact CB-CD1 4.11Å; F133-Y170 HydrophobicContact CB-CD2 4.38Å; F133-Y170 HydrophobicContact CB-CG 3.87Å; F133-Y170 HydrophobicContact CD2-CD1 4.35Å; F133-Y170 AromaticContact CD2-CD2 3.79Å; F133-Y170 HydrophobicContact CD2-CD2 3.79Å; F133-Y170 HydrophobicContact CD2-CE1 4.41Å; F133-Y170 AromaticContact CD2-CE2 3.84Å; F133-Y170 HydrophobicContact CD2-CE2 3.84Å; F133-Y170 HydrophobicContact CD2-CG 4.06Å; F133-Y170 HydrophobicContact CE2-CE2 4.43Å; F133-Y170 HydrophobicContact CG-CG 4.46Å; F133-V175 HydrophobicContact CD2-CG1 4.4Å; F133-V175 HydrophobicContact CD2-CG2 3.89Å; F133-V175 HydrophobicContact CE2-CB 4.4Å; F133-V175 HydrophobicContact CE2-CG1 3.61Å; F133-V175 HydrophobicContact CE2-CG2 3.91Å; F133-V175 HydrophobicContact CG-CG2 4.45Å; F133-V175 HydrophobicContact CZ-CG1 3.95Å |
| 134 | L | 93.4 | Very high | 93 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.8 | -30.4 | -173.5 | -62.3 | 177.8 | 0 | 0 | 0 | 113.6 | N113 V116 L126 G130 N131 R136 F137 | N113-L134 WeakPolarHBondContact OD1-CB 3.5Å; N113-L134 VanDerWaalsContact OD1-CD1 3.32Å; N113-L134 WeakPolarHBondContact OD1-CD1 3.25Å; V116-L134 HydrophobicContact CG1-CD2 3.51Å; V116-L134 HydrophobicContact CG2-CD1 4.11Å; V116-L134 HydrophobicContact CG2-CD2 4.37Å; L126-L134 HydrophobicContact CB-CD2 4.45Å; G130-L134 WeakPolarHBondContact O-CG 3.36Å; G130-L134 PolarHBondContact O-N 3.45Å; G130-L134 VanDerWaalsContact O-N 3.11Å; N131-L134 PolarHBondContact O-N 3.43Å; L134-R136 PolarHBondContact O-N 3.03Å; L134-F137 PolarHBondContact O-N 2.62Å |
| 135 | N | 91.4 | Very high | 93.2 | Very high | 112 Ų | 112 | 43.7 Ų | 43.7 | 60% | 0.599 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.7 | 172.7 | -71.3 | -19.7 | 0 | 0 | 0 | 112.9 | N113 N131 F133 | N113-N135 PolarHBondContact ND2-OD1 3.44Å; N131-N135 WeakPolarHBondContact O-CB 3.03Å; N131-N135 PolarHBondContact O-N 3.49Å; N131-N135 PolarHBondContact O-ND2 3.1Å; F133-N135 VanDerWaalsContact C-N 3.27Å; F133-N135 PolarHBondContact O-N 3.05Å |
| 136 | R | 91.9 | Very high | 93.4 | Very high | 84 Ų | 84 | 42.3 Ų | 42.3 | 32% | 0.317 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | 24.1 | 176.5 | -61.2 | -179.3 | -176.3 | -164.5 | 12.8 | 111.3 | G97 F98 F133 L134 S167 | G97-R136 CarbonylContact C-O 3.22Å; G97-R136 VanDerWaalsContact C-O 3.29Å; G97-R136 WeakPolarHBondContact CA-O 3.45Å; F98-R136 PolarHBondContact N-O 3.32Å; F133-R136 CarbonylContact O-C 3.57Å; F133-R136 VanDerWaalsContact O-C 3.22Å; F133-R136 WeakPolarHBondContact O-CA 3.33Å; F133-R136 PolarHBondContact O-N 2.95Å; L134-R136 PolarHBondContact O-N 3.03Å; R136-S167 PolarHBondContact NH2-O 3.19Å |
| 137 | F | 95.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.2 | 172.3 | -179.9 | -136.2 | 0 | 0 | 0 | 108.4 | F98 A100 G112 L115 F123 L126 F133 L134 F179 | F98-F137 HydrophobicContact CB-CD2 3.53Å; F98-F137 HydrophobicContact CB-CE2 4.15Å; F98-F137 HydrophobicContact CB-CG 4.45Å; F98-F137 WeakPolarHBondContact O-CA 3.12Å; F98-F137 WeakPolarHBondContact O-CD2 3.45Å; A100-F137 HydrophobicContact CB-CE2 3.94Å; A100-F137 HydrophobicContact CB-CZ 4.1Å; G112-F137 WeakPolarHBondContact CA-O 3.21Å; G112-F137 PolarHBondContact N-O 3.01Å; L115-F137 HydrophobicContact CD2-CD1 4.08Å; L115-F137 HydrophobicContact CD2-CE1 3.38Å; L115-F137 HydrophobicContact CD2-CZ 3.64Å; L115-F137 HydrophobicContact CG-CE1 4.43Å; F123-F137 HydrophobicContact CB-CE1 4.14Å; F123-F137 HydrophobicContact CD1-CE1 4.35Å; F123-F137 AromaticContact CD1-CZ 3.95Å; F123-F137 HydrophobicContact CD1-CZ 3.95Å; F123-F137 HydrophobicContact CD2-CZ 4.37Å; F123-F137 HydrophobicContact CE1-CZ 4.26Å; F123-F137 HydrophobicContact CG-CE1 4.11Å; F123-F137 HydrophobicContact CG-CZ 4.03Å; L126-F137 HydrophobicContact CD1-CD1 3.94Å; L126-F137 HydrophobicContact CD1-CE1 3.32Å; L126-F137 HydrophobicContact CD1-CZ 3.73Å; F133-F137 HydrophobicContact CE1-CB 3.92Å; F133-F137 HydrophobicContact CE1-CD1 4Å; F133-F137 HydrophobicContact CE1-CG 4.05Å; F133-F137 HydrophobicContact CE2-CB 4.45Å; F133-F137 HydrophobicContact CZ-CB 3.89Å; F133-F137 HydrophobicContact CZ-CD1 4.27Å; F133-F137 HydrophobicContact CZ-CD2 4.38Å; F133-F137 AromaticContact CZ-CG 3.94Å; F133-F137 HydrophobicContact CZ-CG 3.94Å; F133-F137 PolarHBondContact O-N 3.44Å; F133-F137 VanDerWaalsContact O-N 3.17Å; L134-F137 PolarHBondContact O-N 2.62Å; F137-F179 HydrophobicContact CE2-CZ 4.27Å; F137-F179 HydrophobicContact CZ-CZ 4.37Å |
| 138 | I | 95.8 | Very high | 93.9 | Very high | 42 Ų | 42 | 42.6 Ų | 42.6 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 153.2 | 177.4 | 62.3 | 169.1 | 0 | 0 | 0 | 110 | F98 I99 A100 V109 V110 | F98-I138 PolarHBondContact O-N 3.34Å; I99-I138 CarbonylContact C-O 3.56Å; I99-I138 WeakPolarHBondContact CA-O 3.3Å; I99-I138 HydrophobicContact CB-CG1 4.22Å; I99-I138 HydrophobicContact CD1-CD1 4.21Å; I99-I138 HydrophobicContact CG1-CD1 3.98Å; I99-I138 HydrophobicContact CG1-CG1 3.85Å; I99-I138 HydrophobicContact CG2-CD1 4.21Å; I99-I138 HydrophobicContact CG2-CG1 4.04Å; A100-I138 PolarHBondContact N-O 3.17Å; V109-I138 HydrophobicContact CG1-CB 3.84Å; V109-I138 HydrophobicContact CG1-CD1 3.91Å; V109-I138 HydrophobicContact CG1-CG1 4.39Å; V109-I138 HydrophobicContact CG1-CG2 4.17Å; V110-I138 WeakPolarHBondContact O-CA 3.16Å |
| 139 | C | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.4 | 165.4 | 176.2 | 0 | 0 | 0 | 0 | 109.1 | A100 V109 V110 L115 Q141 | A100-C139 HydrophobicContact CB-CB 4.31Å; A100-C139 CarbonylContact O-C 3.58Å; A100-C139 VanDerWaalsContact O-CA 3.25Å; A100-C139 WeakPolarHBondContact O-CA 3.3Å; A100-C139 PolarHBondContact O-SG 3.48Å; A100-C139 VanDerWaalsContact O-SG 3.38Å; V109-C139 CarbonylContact C-O 3.58Å; V109-C139 WeakPolarHBondContact CA-O 3.47Å; V110-C139 HydrophobicContact CB-CB 4.29Å; V110-C139 PolarHBondContact N-O 2.9Å; V110-C139 PolarHBondContact O-N 3.22Å; L115-C139 HydrophobicContact CD1-CB 3.72Å; L115-C139 HydrophobicContact CD2-CB 3.54Å; L115-C139 HydrophobicContact CG-CB 4.23Å; C139-Q141 VanDerWaalsContact SG-CG 3.53Å |
| 140 | S | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 122.4 | 171.2 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | P85 A100 V101 M102 | P85-S140 WeakPolarHBondContact CD-OG 3.4Å; P85-S140 WeakPolarHBondContact O-CB 3.43Å; P85-S140 PolarHBondContact O-OG 2.77Å; A100-S140 PolarHBondContact O-N 2.82Å; V101-S140 WeakPolarHBondContact CA-O 3.29Å; M102-S140 PolarHBondContact N-O 3.15Å |
| 141 | Q | 96.5 | Very high | 94.7 | Very high | 41 Ų | 41 | 35.8 Ų | 35.8 | 19% | 0.192 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137 | -178.9 | -66 | -175.1 | -10.6 | 0 | 0 | 109.8 | M102 E107 G108 C139 | M102-Q141 WeakPolarHBondContact O-CA 3.12Å; E107-Q141 CarbonylContact C-O 3.3Å; E107-Q141 VanDerWaalsContact CA-O 3.26Å; E107-Q141 WeakPolarHBondContact CA-O 3.47Å; G108-Q141 PolarHBondContact N-O 3.48Å; G108-Q141 PolarHBondContact O-N 2.97Å; C139-Q141 VanDerWaalsContact SG-CG 3.53Å |
| 142 | M | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 153.4 | 178.2 | 62.1 | -171.9 | -64.3 | 0 | 0 | 111.6 | L80 Q82 D83 F84 M102 G104 E107 N144 L147 | L80-M142 HydrophobicContact CD1-SD 4.32Å; Q82-M142 HydrophobicContact CB-CE 4.07Å; Q82-M142 HydrophobicContact CG-CE 3.61Å; Q82-M142 VanDerWaalsContact OE1-CE 3.24Å; D83-M142 VanDerWaalsContact O-CE 3.25Å; D83-M142 WeakPolarHBondContact O-CE 3.41Å; F84-M142 HydrophobicContact CB-CE 4.47Å; F84-M142 HydrophobicContact CB-SD 3.35Å; F84-M142 WeakPolarHBondContact CB-SD 3.25Å; M102-M142 PolarHBondContact O-N 3.46Å; G104-M142 PolarHBondContact N-O 2.92Å; G104-M142 VanDerWaalsContact N-O 3.1Å; G104-M142 CarbonylContact O-C 3.55Å; E107-M142 HydrophobicContact CG-CB 3.96Å; M142-N144 HydrophobicContact CE-CB 4.33Å; M142-N144 HydrophobicContact CG-CB 4.31Å; M142-N144 PolarHBondContact O-N 3.46Å; M142-L147 HydrophobicContact CG-CD1 3.53Å; M142-L147 HydrophobicContact SD-CD1 4.07Å |
| 143 | P | 97.3 | Very high | 95.5 | Very high | 58 Ų | 58 | 27.7 Ų | 27.7 | 38% | 0.377 | 14% | 0.139 | S | C | . | . | trans | -75.3 | 109.1 | 170.8 | 29.3 | -31.8 | 0 | 0 | 0 | 109 | G104 | G104-P143 VanDerWaalsContact O-CA 3.25Å; G104-P143 WeakPolarHBondContact O-CA 3.23Å | ||
| 144 | N | 96.7 | Very high | 95.7 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 9% | 0.086 | 14% | 0.139 | C | C | . | . | trans | -150.7 | 139.1 | 175.6 | -177 | -76.7 | 0 | 0 | 0 | 109.5 | L80 Q82 H103 M142 V146 L147 Q148 | L80-N144 PolarHBondContact O-ND2 3.39Å; Q82-N144 PolarHBondContact OE1-ND2 3.27Å; H103-N144 PolarHBondContact ND1-O 3.01Å; M142-N144 HydrophobicContact CE-CB 4.33Å; M142-N144 HydrophobicContact CG-CB 4.31Å; M142-N144 PolarHBondContact O-N 3.46Å; N144-V146 VanDerWaalsContact OD1-CB 3.28Å; N144-V146 WeakPolarHBondContact OD1-CB 3.43Å; N144-V146 PolarHBondContact OD1-N 3.42Å; N144-L147 HydrophobicContact CB-CB 4.37Å; N144-L147 HydrophobicContact CB-CD1 3.97Å; N144-L147 HydrophobicContact CB-CG 4.08Å; N144-L147 PolarHBondContact O-N 3.02Å; N144-Q148 PolarHBondContact O-N 3.42Å | ||
| 145 | Q | 93.8 | Very high | 95.7 | Very high | 91 Ų | 91 | 27.6 Ų | 27.6 | 43% | 0.425 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64.3 | -40.2 | -176.1 | -67.8 | -167.3 | 40.4 | 0 | 0 | 112.8 | L147 Q148 S411 | Q145-L147 PolarHBondContact O-N 2.83Å; Q145-Q148 VanDerWaalsContact O-CB 3.27Å; Q145-Q148 WeakPolarHBondContact O-CB 3.36Å; Q145-Q148 PolarHBondContact O-N 3.43Å; Q145-S411 CarbonylContact C-O 3.27Å; Q145-S411 VanDerWaalsContact C-O 3.3Å; Q145-S411 WeakPolarHBondContact CB-O 3.39Å |
| 146 | V | 95.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58 | -43.1 | 176.9 | 175.2 | 0 | 0 | 0 | 0 | 110.1 | L80 N144 Q148 S149 I150 V410 S411 G412 F415 | L80-V146 HydrophobicContact CD2-CB 3.71Å; L80-V146 HydrophobicContact CD2-CG1 3.75Å; L80-V146 HydrophobicContact CD2-CG2 4.33Å; N144-V146 VanDerWaalsContact OD1-CB 3.28Å; N144-V146 WeakPolarHBondContact OD1-CB 3.43Å; N144-V146 PolarHBondContact OD1-N 3.42Å; V146-Q148 PolarHBondContact O-N 3.21Å; V146-S149 PolarHBondContact O-N 2.9Å; V146-S149 VanDerWaalsContact O-N 3.09Å; V146-I150 HydrophobicContact CG1-CD1 3.95Å; V146-I150 HydrophobicContact CG1-CG1 3.93Å; V146-I150 WeakPolarHBondContact O-CG1 3.28Å; V146-I150 PolarHBondContact O-N 3.37Å; V146-V410 HydrophobicContact CB-CG1 4.17Å; V146-V410 HydrophobicContact CG1-CG1 3.73Å; V146-V410 HydrophobicContact CG2-CG1 4.25Å; V146-S411 WeakPolarHBondContact CA-O 3.44Å; V146-S411 PolarHBondContact N-O 2.7Å; V146-S411 VanDerWaalsContact N-O 3.17Å; V146-G412 VanDerWaalsContact CG2-O 3.26Å; V146-G412 WeakPolarHBondContact CG2-O 3.46Å; V146-F415 HydrophobicContact CG1-CD2 4.45Å; V146-F415 HydrophobicContact CG1-CE2 3.85Å; V146-F415 HydrophobicContact CG2-CD2 3.81Å; V146-F415 HydrophobicContact CG2-CE2 3.97Å |
| 147 | L | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -72.3 | -17.1 | -179.3 | -57.3 | 178.9 | 0 | 0 | 0 | 113 | K59 L80 V101 H103 M142 N144 Q145 S149 I150 | K59-L147 PolarHBondContact NZ-O 2.94Å; K59-L147 VanDerWaalsContact NZ-O 3.07Å; L80-L147 HydrophobicContact CD1-CD1 4.44Å; L80-L147 HydrophobicContact CD2-CD1 4.48Å; L80-L147 HydrophobicContact CD2-CD2 3.85Å; L80-L147 HydrophobicContact CD2-CG 3.89Å; V101-L147 HydrophobicContact CG1-CD1 3.85Å; V101-L147 HydrophobicContact CG1-CD2 4.09Å; H103-L147 HydrophobicContact CB-CB 3.82Å; H103-L147 WeakPolarHBondContact CB-O 3.5Å; M142-L147 HydrophobicContact CG-CD1 3.53Å; M142-L147 HydrophobicContact SD-CD1 4.07Å; N144-L147 HydrophobicContact CB-CB 4.37Å; N144-L147 HydrophobicContact CB-CD1 3.97Å; N144-L147 HydrophobicContact CB-CG 4.08Å; N144-L147 PolarHBondContact O-N 3.02Å; Q145-L147 PolarHBondContact O-N 2.83Å; L147-S149 PolarHBondContact O-N 3.15Å; L147-I150 CarbonylContact C-O 3.54Å; L147-I150 VanDerWaalsContact CA-O 3.25Å; L147-I150 WeakPolarHBondContact CA-O 3.33Å |
| 148 | Q | 93.7 | Very high | 94.9 | Very high | 104 Ų | 104 | 18.9 Ų | 18.9 | 49% | 0.486 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -65.6 | -30.3 | 170.3 | -67 | 177.6 | 1 | 0 | 0 | 111.1 | K59 N144 Q145 V146 | K59-Q148 WeakPolarHBondContact CD-O 3.38Å; K59-Q148 VanDerWaalsContact CE-O 3.23Å; K59-Q148 WeakPolarHBondContact CE-O 3.39Å; K59-Q148 VanDerWaalsContact NZ-C 3.3Å; K59-Q148 VanDerWaalsContact NZ-CA 3.33Å; K59-Q148 PolarHBondContact NZ-O 3.19Å; N144-Q148 PolarHBondContact O-N 3.42Å; Q145-Q148 VanDerWaalsContact O-CB 3.27Å; Q145-Q148 WeakPolarHBondContact O-CB 3.36Å; Q145-Q148 PolarHBondContact O-N 3.43Å; V146-Q148 PolarHBondContact O-N 3.21Å |
| 149 | S | 92.4 | Very high | 93.8 | Very high | 26 Ų | 26 | 18.7 Ų | 18.7 | 18% | 0.182 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -98 | -34.7 | -178.9 | -62.6 | 0 | 0 | 0 | 0 | 113.8 | P60 V146 L147 M409 | P60-S149 WeakPolarHBondContact CD-O 3.27Å; V146-S149 PolarHBondContact O-N 2.9Å; V146-S149 VanDerWaalsContact O-N 3.09Å; L147-S149 PolarHBondContact O-N 3.15Å; S149-M409 PolarHBondContact OG-O 2.93Å |
| 150 | I | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -135.6 | 172.5 | -177.2 | 58.1 | 167.6 | 0 | 0 | 0 | 112.6 | P60 V62 V146 L147 I152 I283 L286 P287 V410 | P60-I150 HydrophobicContact CB-CG2 4.17Å; P60-I150 HydrophobicContact CG-CG2 4.48Å; P60-I150 CarbonylContact O-C 3.52Å; P60-I150 WeakPolarHBondContact O-CA 3.42Å; V62-I150 HydrophobicContact CG2-CD1 4.24Å; V146-I150 HydrophobicContact CG1-CD1 3.95Å; V146-I150 HydrophobicContact CG1-CG1 3.93Å; V146-I150 WeakPolarHBondContact O-CG1 3.28Å; V146-I150 PolarHBondContact O-N 3.37Å; L147-I150 CarbonylContact C-O 3.54Å; L147-I150 VanDerWaalsContact CA-O 3.25Å; L147-I150 WeakPolarHBondContact CA-O 3.33Å; I150-I152 HydrophobicContact CD1-CD1 4.45Å; I150-I152 HydrophobicContact CD1-CG1 4.26Å; I150-I283 HydrophobicContact CD1-CG2 3.84Å; I150-L286 HydrophobicContact CG2-CB 4.34Å; I150-P287 HydrophobicContact CG2-CG 4.1Å; I150-V410 HydrophobicContact CD1-CG1 4.5Å; I150-V410 HydrophobicContact CD1-CG2 4.2Å; I150-V410 HydrophobicContact CG1-CG2 4.19Å; I150-V410 HydrophobicContact CG2-CG2 3.68Å | ||
| 151 | S | 97.2 | Very high | 90.3 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 148 | 166.2 | -63.6 | 0 | 0 | 0 | 0 | 109.6 | P60 M61 V62 | P60-S151 PolarHBondContact O-N 3.45Å; M61-S151 CarbonylContact C-O 3.48Å; M61-S151 VanDerWaalsContact CA-O 3.3Å; M61-S151 WeakPolarHBondContact CA-O 3.3Å; V62-S151 PolarHBondContact N-O 3.35Å |
| 152 | I | 98.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.3 | -174.6 | -52.4 | 171.3 | 0 | 0 | 0 | 108.7 | V62 L64 I76 L79 L80 V101 I150 | V62-I152 CarbonylContact O-C 3.29Å; V62-I152 WeakPolarHBondContact O-CA 3.35Å; L64-I152 HydrophobicContact CD1-CG2 4.44Å; L64-I152 HydrophobicContact CG-CG2 4.25Å; I76-I152 HydrophobicContact CD1-CG2 3.77Å; I76-I152 HydrophobicContact CG1-CG2 3.84Å; I76-I152 HydrophobicContact CG2-CD1 4.22Å; I76-I152 HydrophobicContact CG2-CG2 4.5Å; L79-I152 HydrophobicContact CD1-CD1 4.37Å; L80-I152 HydrophobicContact CD2-CD1 4.25Å; V101-I152 WeakPolarHBondContact CA-O 3.4Å; V101-I152 HydrophobicContact CB-CB 4.49Å; V101-I152 PolarHBondContact N-O 3.41Å; V101-I152 PolarHBondContact O-N 3.02Å; I150-I152 HydrophobicContact CD1-CD1 4.45Å; I150-I152 HydrophobicContact CD1-CG1 4.26Å |
| 153 | I | 97.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 109.7 | 177.3 | -50.7 | -57.9 | 0 | 0 | 0 | 108.3 | M61 V62 L63 L64 F98 I99 A100 F123 F179 | M61-I153 HydrophobicContact SD-CD1 4.48Å; V62-I153 PolarHBondContact O-N 3.05Å; L63-I153 HydrophobicContact CD1-CB 3.71Å; L63-I153 HydrophobicContact CD1-CG2 3.57Å; L64-I153 PolarHBondContact N-O 3.24Å; F98-I153 HydrophobicContact CD1-CG2 4.35Å; I99-I153 WeakPolarHBondContact O-CA 3.27Å; A100-I153 HydrophobicContact CB-CD1 3.67Å; F123-I153 HydrophobicContact CE1-CD1 4.42Å; F123-I153 HydrophobicContact CZ-CD1 4.34Å; I153-F179 HydrophobicContact CD1-CE1 4.13Å; I153-F179 HydrophobicContact CG1-CD1 4.22Å; I153-F179 HydrophobicContact CG1-CE1 4.01Å; I153-F179 HydrophobicContact CG2-CD1 4.3Å; I153-F179 HydrophobicContact CG2-CE1 3.94Å; I153-F179 HydrophobicContact CG2-CE2 4.49Å; I153-F179 HydrophobicContact CG2-CZ 4.05Å |
| 154 | D | 96.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 137.5 | 167.7 | -155.2 | -1.1 | 0 | 0 | 0 | 109.4 | K72 T73 I76 F98 I99 | K72-D154 WeakPolarHBondContact CB-OD1 3.49Å; T73-D154 WeakPolarHBondContact CA-OD2 3.29Å; T73-D154 WeakPolarHBondContact CB-OD2 3.46Å; T73-D154 PolarHBondContact OG1-OD2 3.33Å; I76-D154 HydrophobicContact CD1-CB 3.47Å; I76-D154 VanDerWaalsContact CD1-CB 3.47Å; F98-D154 WeakPolarHBondContact CA-O 3.46Å; I99-D154 HydrophobicContact CB-CB 4.08Å; I99-D154 PolarHBondContact N-O 2.99Å; I99-D154 PolarHBondContact O-N 3.21Å |
| 155 | T | 94.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -112.6 | 151.7 | 178.9 | 65.3 | 0 | 0 | 0 | 0 | 111.2 | L63 L64 V65 K72 F98 L176 | L63-T155 HydrophobicContact CD1-CG2 3.5Å; L63-T155 HydrophobicContact CG-CG2 4.35Å; L64-T155 WeakPolarHBondContact O-CB 3.48Å; L64-T155 WeakPolarHBondContact O-CG2 3.22Å; L64-T155 PolarHBondContact O-OG1 3.42Å; V65-T155 HydrophobicContact CG2-CG2 4.29Å; K72-T155 WeakPolarHBondContact CE-O 3.31Å; F98-T155 HydrophobicContact CD1-CG2 3.83Å; F98-T155 HydrophobicContact CE1-CG2 3.58Å; T155-L176 HydrophobicContact CG2-CD2 4.07Å | ||
| 156 | P | 90.3 | Very high | 79.4 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -51.9 | 144.4 | 169.2 | -23.8 | 30.6 | 0 | 0 | 0 | 111.7 | F98 I158 F172 | F98-P156 HydrophobicContact CD2-CG 3.89Å; F98-P156 HydrophobicContact CE2-CG 3.97Å; P156-I158 PolarHBondContact O-N 3.45Å; P156-F172 HydrophobicContact CG-CE2 4.35Å |
| 157 | G | 87.6 | Confident | 77.8 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 9% | 0.093 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 127.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L159 | G157-L159 PolarHBondContact O-N 3.28Š|
| 158 | I | 84.6 | Confident | 76.8 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 127.2 | 172.5 | -59.5 | 172 | 0 | 0 | 0 | 108.1 | V65 G66 Q67 Y68 P156 F172 E200 F201 A204 | V65-I158 HydrophobicContact CG1-CD1 3.75Å; G66-I158 PolarHBondContact O-N 3.07Å; Q67-I158 CarbonylContact C-O 3.59Å; Q67-I158 VanDerWaalsContact CA-O 3.28Å; Q67-I158 WeakPolarHBondContact CA-O 3.23Å; Q67-I158 HydrophobicContact CG-CB 4.36Å; Y68-I158 PolarHBondContact N-O 3.31Å; P156-I158 PolarHBondContact O-N 3.45Å; I158-F172 HydrophobicContact CD1-CE1 3.9Å; I158-F172 HydrophobicContact CD1-CZ 4.34Å; I158-F172 HydrophobicContact CG1-CE1 3.72Å; I158-F172 HydrophobicContact CG1-CZ 3.93Å; I158-E200 HydrophobicContact CG2-CB 3.97Å; I158-E200 HydrophobicContact CG2-CG 3.93Å; I158-F201 HydrophobicContact CD1-CB 4.3Å; I158-F201 HydrophobicContact CD1-CD2 3.36Å; I158-F201 HydrophobicContact CD1-CE2 3.93Å; I158-F201 HydrophobicContact CD1-CG 4.05Å; I158-F201 HydrophobicContact CG2-CB 4.02Å; I158-A204 HydrophobicContact CD1-CB 3.68Å |
| 159 | L | 72.6 | Confident | 76.3 | Confident | 38 Ų | 38 | 51.3 Ų | 51.3 | 20% | 0.199 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -89 | 145.5 | -175.5 | -64.9 | 161.4 | 0 | 0 | 0 | 109.4 | G157 G161 Q164 | G157-L159 PolarHBondContact O-N 3.28Å; L159-G161 PolarHBondContact O-N 2.72Å; L159-Q164 HydrophobicContact CB-CB 4.35Å; L159-Q164 HydrophobicContact CD1-CB 3.83Å; L159-Q164 HydrophobicContact CD1-CG 4.39Å; L159-Q164 VanDerWaalsContact CD1-OE1 3.25Å |
| 160 | S | 64 | Low | 76.1 | Confident | 85 Ų | 85 | 51.3 Ų | 51.3 | 59% | 0.594 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -87.4 | 101.3 | 173.8 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | ||
| 161 | G | 57.3 | Low | 75.7 | Confident | 43 Ų | 43 | 55.5 Ų | 55.5 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 132.5 | 146.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | L159 K163 Q164 | L159-G161 PolarHBondContact O-N 2.72Å; G161-K163 VanDerWaalsContact C-N 3.35Å; G161-K163 PolarHBondContact O-N 2.91Å; G161-Q164 PolarHBondContact O-N 3.47Å |
| 162 | E | 49.1 | Very low | 75.3 | Confident | 139 Ų | 139 | 56 Ų | 56 | 65% | 0.65 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -61.6 | -31.3 | -171.8 | -70.3 | -176.8 | 142.9 | 0 | 0 | 115.2 | Q164 R165 | E162-Q164 PolarHBondContact O-N 3.11Å; E162-Q164 VanDerWaalsContact O-N 3.12Å; E162-R165 PolarHBondContact O-N 3.44Å |
| 163 | K | 48.5 | Very low | 74.8 | Confident | 198 Ų | 198 | 56.5 Ų | 56.5 | 86% | 0.861 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -66.3 | -16.4 | -174.4 | -71.3 | -175.5 | 178.1 | 179.4 | 0 | 114 | G161 | G161-K163 VanDerWaalsContact C-N 3.35Å; G161-K163 PolarHBondContact O-N 2.91Å |
| 164 | Q | 52.2 | Low | 74.3 | Confident | 102 Ų | 102 | 59.7 Ų | 59.7 | 48% | 0.477 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -104 | -9.8 | -179.3 | -70.1 | 178.7 | -19.2 | 0 | 0 | 113.8 | L159 G161 E162 I166 S167 | L159-Q164 HydrophobicContact CB-CB 4.35Å; L159-Q164 HydrophobicContact CD1-CB 3.83Å; L159-Q164 HydrophobicContact CD1-CG 4.39Å; L159-Q164 VanDerWaalsContact CD1-OE1 3.25Å; G161-Q164 PolarHBondContact O-N 3.47Å; E162-Q164 PolarHBondContact O-N 3.11Å; E162-Q164 VanDerWaalsContact O-N 3.12Å; Q164-I166 PolarHBondContact O-N 3.44Å; Q164-I166 VanDerWaalsContact O-N 3.13Å; Q164-S167 PolarHBondContact O-N 3.15Å |
| 165 | R | 51.7 | Low | 74.2 | Confident | 99 Ų | 99 | 59.7 Ų | 59.7 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -56.3 | -27.5 | 171.2 | -78.5 | -177.4 | 169.8 | 169.6 | -7.7 | 112.6 | E162 S167 E203 | E162-R165 PolarHBondContact O-N 3.44Å; R165-S167 VanDerWaalsContact C-N 3.33Å; R165-S167 PolarHBondContact O-N 3.33Å; R165-E203 IonicContact NH2-OE2 2.6Å |
| 166 | I | 51 | Low | 74.1 | Confident | 154 Ų | 154 | 59.7 Ų | 59.7 | 79% | 0.79 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -79.3 | -7.6 | -170.3 | -56.4 | 172.8 | 0 | 0 | 0 | 113 | Q164 | Q164-I166 PolarHBondContact O-N 3.44Å; Q164-I166 VanDerWaalsContact O-N 3.13Å |
| 167 | S | 62 | Low | 74.2 | Confident | 90 Ų | 90 | 62.8 Ų | 62.8 | 63% | 0.629 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -112.4 | 1.7 | -164.1 | -161.3 | 0 | 0 | 0 | 0 | 117.2 | R136 Q164 R165 | R136-S167 PolarHBondContact NH2-O 3.19Å; Q164-S167 PolarHBondContact O-N 3.15Å; R165-S167 VanDerWaalsContact C-N 3.33Å; R165-S167 PolarHBondContact O-N 3.33Å |
| 168 | R | 75.6 | Confident | 74.4 | Confident | 28 Ų | 28 | 63.1 Ų | 63.1 | 11% | 0.106 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -77.6 | -33.1 | -179.3 | -71 | -169 | -177.6 | 133 | 11.4 | 114 | Y170 F172 E200 | R168-Y170 HydrophobicContact CB-CD1 4.15Å; R168-Y170 HydrophobicContact CB-CE1 3.89Å; R168-Y170 WeakPolarHBondContact O-CD1 3.38Å; R168-Y170 WeakPolarHBondContact O-CE1 3.23Å; R168-Y170 PolarHBondContact O-N 3.47Å; R168-F172 VanDerWaalsContact NH1-CB 3.3Å; R168-E200 IonicContact CZ-OE1 3.07Å; R168-E200 IonicContact NH1-OE1 2.66Å; R168-E200 PolarHBondContact NH1-OE1 2.74Å; R168-E200 IonicContact NH2-OE1 2.71Å; R168-E200 PolarHBondContact NH2-OE1 2.94Å |
| 169 | G | 82.5 | Confident | 74.8 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 59% | 0.588 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 74.4 | 9.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S132 | S132-G169 WeakPolarHBondContact CB-O 3.5Å; S132-G169 PolarHBondContact OG-O 3.32Å |
| 170 | Y | 87.5 | Confident | 75.8 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 10% | 0.102 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -151.4 | 159.1 | 172.7 | 62.6 | -89.1 | 0 | 0 | 0 | 109.8 | F98 F133 R168 F172 V175 | F98-Y170 AromaticContact CE2-CE2 3.9Å; F98-Y170 HydrophobicContact CE2-CE2 3.9Å; F133-Y170 HydrophobicContact CB-CD1 4.11Å; F133-Y170 HydrophobicContact CB-CD2 4.38Å; F133-Y170 HydrophobicContact CB-CG 3.87Å; F133-Y170 HydrophobicContact CD2-CD1 4.35Å; F133-Y170 AromaticContact CD2-CD2 3.79Å; F133-Y170 HydrophobicContact CD2-CD2 3.79Å; F133-Y170 HydrophobicContact CD2-CE1 4.41Å; F133-Y170 AromaticContact CD2-CE2 3.84Å; F133-Y170 HydrophobicContact CD2-CE2 3.84Å; F133-Y170 HydrophobicContact CD2-CG 4.06Å; F133-Y170 HydrophobicContact CE2-CE2 4.43Å; F133-Y170 HydrophobicContact CG-CG 4.46Å; R168-Y170 HydrophobicContact CB-CD1 4.15Å; R168-Y170 HydrophobicContact CB-CE1 3.89Å; R168-Y170 WeakPolarHBondContact O-CD1 3.38Å; R168-Y170 WeakPolarHBondContact O-CE1 3.23Å; R168-Y170 PolarHBondContact O-N 3.47Å; Y170-F172 HydrophobicContact CE2-CB 4.31Å; Y170-F172 HydrophobicContact CE2-CD2 4.12Å; Y170-F172 PolarHBondContact O-N 2.84Å; Y170-V175 HydrophobicContact CD2-CG2 3.99Å; Y170-V175 HydrophobicContact CE2-CG2 4.39Å |
| 171 | D | 87.4 | Confident | 76.9 | Confident | 87 Ų | 87 | 60.3 Ų | 60.3 | 47% | 0.465 | 31% | 0.314 | S | S | . | . | trans | -77.3 | 105.8 | 177 | -170.1 | -36.2 | 0 | 0 | 0 | 110.5 | A173 E174 V175 | D171-A173 PolarHBondContact OD1-N 2.92Å; D171-E174 HydrophobicContact CB-CB 4.04Å; D171-E174 HydrophobicContact CB-CG 4.1Å; D171-E174 VanDerWaalsContact CG-CG 3.42Å; D171-E174 PolarHBondContact OD1-N 3.45Å; D171-E174 WeakPolarHBondContact OD2-CG 3.37Å; D171-V175 WeakPolarHBondContact O-CG2 3.28Å; D171-V175 PolarHBondContact O-N 3.38Å | ||
| 172 | F | 88.8 | Confident | 78.4 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.9 | -36.4 | -177.9 | -178.9 | -106 | 0 | 0 | 0 | 112.9 | F98 P156 I158 R168 Y170 V175 L176 A204 | F98-F172 HydrophobicContact CE1-CE2 4.44Å; F98-F172 AromaticContact CE2-CD2 3.92Å; F98-F172 HydrophobicContact CE2-CD2 3.92Å; F98-F172 AromaticContact CE2-CE2 3.87Å; F98-F172 HydrophobicContact CE2-CE2 3.87Å; F98-F172 AromaticContact CZ-CD2 3.76Å; F98-F172 HydrophobicContact CZ-CD2 3.76Å; F98-F172 AromaticContact CZ-CE2 3.48Å; F98-F172 HydrophobicContact CZ-CE2 3.48Å; F98-F172 VanDerWaalsContact CZ-CE2 3.48Å; F98-F172 HydrophobicContact CZ-CZ 4.49Å; P156-F172 HydrophobicContact CG-CE2 4.35Å; I158-F172 HydrophobicContact CD1-CE1 3.9Å; I158-F172 HydrophobicContact CD1-CZ 4.34Å; I158-F172 HydrophobicContact CG1-CE1 3.72Å; I158-F172 HydrophobicContact CG1-CZ 3.93Å; R168-F172 VanDerWaalsContact NH1-CB 3.3Å; Y170-F172 HydrophobicContact CE2-CB 4.31Å; Y170-F172 HydrophobicContact CE2-CD2 4.12Å; Y170-F172 PolarHBondContact O-N 2.84Å; F172-V175 PolarHBondContact O-N 2.94Å; F172-L176 HydrophobicContact CD1-CD1 3.92Å; F172-L176 HydrophobicContact CD1-CG 4.3Å; F172-L176 HydrophobicContact CE1-CD1 3.35Å; F172-L176 HydrophobicContact CE1-CG 3.95Å; F172-L176 HydrophobicContact CE2-CG 4.43Å; F172-L176 HydrophobicContact CZ-CD1 3.76Å; F172-L176 HydrophobicContact CZ-CD2 4.17Å; F172-L176 HydrophobicContact CZ-CG 4.02Å; F172-L176 WeakPolarHBondContact O-CG 3.25Å; F172-L176 PolarHBondContact O-N 2.88Å; F172-A204 HydrophobicContact CE1-CB 4.25Å |
| 173 | A | 88.9 | Confident | 80.5 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 10% | 0.099 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.2 | -39.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | D171 L176 R177 E203 A207 | D171-A173 PolarHBondContact OD1-N 2.92Å; A173-L176 PolarHBondContact O-N 3.45Å; A173-R177 WeakPolarHBondContact O-CB 3.47Å; A173-R177 PolarHBondContact O-N 3.21Å; A173-E203 HydrophobicContact CB-CG 4.4Å; A173-A207 HydrophobicContact CB-CB 4.42Å |
| 174 | E | 88.1 | Confident | 82.7 | Confident | 68 Ų | 68 | 44.2 Ų | 44.2 | 32% | 0.318 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.8 | -39.5 | 173.8 | -68 | -65 | 142 | 0 | 0 | 112.6 | F129 D171 R177 W178 | F129-E174 HydrophobicContact CE1-CB 3.84Å; F129-E174 HydrophobicContact CZ-CB 4.48Å; D171-E174 HydrophobicContact CB-CB 4.04Å; D171-E174 HydrophobicContact CB-CG 4.1Å; D171-E174 VanDerWaalsContact CG-CG 3.42Å; D171-E174 PolarHBondContact OD1-N 3.45Å; D171-E174 WeakPolarHBondContact OD2-CG 3.37Å; E174-R177 PolarHBondContact O-N 3.01Å; E174-R177 IonicContact OE1-CZ 2.85Å; E174-R177 IonicContact OE1-NH1 2.63Å; E174-R177 PolarHBondContact OE1-NH1 3.05Å; E174-R177 IonicContact OE1-NH2 3.84Å; E174-R177 IonicContact OE2-CZ 3.3Å; E174-R177 IonicContact OE2-NH1 3.43Å; E174-R177 PolarHBondContact OE2-NH1 2.93Å; E174-W178 WeakPolarHBondContact O-CB 3.34Å; E174-W178 PolarHBondContact O-N 2.8Å |
| 175 | V | 93.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 173.9 | 173 | 0 | 0 | 0 | 0 | 111.1 | F98 F129 F133 Y170 D171 F172 R177 W178 F179 | F98-V175 HydrophobicContact CE1-CG1 3.83Å; F98-V175 HydrophobicContact CE2-CG1 3.89Å; F98-V175 HydrophobicContact CZ-CB 4.27Å; F98-V175 HydrophobicContact CZ-CG1 3.48Å; F98-V175 VanDerWaalsContact CZ-CG1 3.48Å; F129-V175 HydrophobicContact CB-CG2 4.47Å; F129-V175 HydrophobicContact CD1-CG2 3.62Å; F129-V175 HydrophobicContact CD2-CG2 3.96Å; F129-V175 HydrophobicContact CE1-CG2 3.72Å; F129-V175 HydrophobicContact CE2-CG2 4.06Å; F129-V175 HydrophobicContact CG-CG2 3.75Å; F129-V175 HydrophobicContact CZ-CB 4.49Å; F129-V175 HydrophobicContact CZ-CG2 3.94Å; F133-V175 HydrophobicContact CD2-CG1 4.4Å; F133-V175 HydrophobicContact CD2-CG2 3.89Å; F133-V175 HydrophobicContact CE2-CB 4.4Å; F133-V175 HydrophobicContact CE2-CG1 3.61Å; F133-V175 HydrophobicContact CE2-CG2 3.91Å; F133-V175 HydrophobicContact CG-CG2 4.45Å; F133-V175 HydrophobicContact CZ-CG1 3.95Å; Y170-V175 HydrophobicContact CD2-CG2 3.99Å; Y170-V175 HydrophobicContact CE2-CG2 4.39Å; D171-V175 WeakPolarHBondContact O-CG2 3.28Å; D171-V175 PolarHBondContact O-N 3.38Å; F172-V175 PolarHBondContact O-N 2.94Å; V175-R177 VanDerWaalsContact C-N 3.35Å; V175-R177 PolarHBondContact O-N 2.96Å; V175-W178 WeakPolarHBondContact O-CB 3.3Å; V175-W178 PolarHBondContact O-N 3.19Å; V175-F179 HydrophobicContact CG1-CD2 3.84Å; V175-F179 HydrophobicContact CG1-CE2 3.74Å; V175-F179 WeakPolarHBondContact O-CD2 3.33Å; V175-F179 PolarHBondContact O-N 2.96Å |
| 176 | L | 94.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 176.5 | -74.8 | -174 | 0 | 0 | 0 | 111.7 | L63 V65 F98 T155 F172 A173 W178 F179 G180 A204 A207 F208 | L63-L176 HydrophobicContact CD2-CD2 4.38Å; V65-L176 HydrophobicContact CG1-CD1 4.17Å; V65-L176 HydrophobicContact CG2-CD2 4.05Å; F98-L176 HydrophobicContact CE1-CD2 4.07Å; F98-L176 HydrophobicContact CZ-CD2 4.28Å; T155-L176 HydrophobicContact CG2-CD2 4.07Å; F172-L176 HydrophobicContact CD1-CD1 3.92Å; F172-L176 HydrophobicContact CD1-CG 4.3Å; F172-L176 HydrophobicContact CE1-CD1 3.35Å; F172-L176 HydrophobicContact CE1-CG 3.95Å; F172-L176 HydrophobicContact CE2-CG 4.43Å; F172-L176 HydrophobicContact CZ-CD1 3.76Å; F172-L176 HydrophobicContact CZ-CD2 4.17Å; F172-L176 HydrophobicContact CZ-CG 4.02Å; F172-L176 WeakPolarHBondContact O-CG 3.25Å; F172-L176 PolarHBondContact O-N 2.88Å; A173-L176 PolarHBondContact O-N 3.45Å; L176-W178 VanDerWaalsContact C-N 3.3Å; L176-W178 PolarHBondContact O-N 3.13Å; L176-F179 PolarHBondContact O-N 3.06Å; L176-G180 PolarHBondContact O-N 3.4Å; L176-A204 HydrophobicContact CD1-CB 3.49Å; L176-A204 VanDerWaalsContact CD1-CB 3.49Å; L176-A207 HydrophobicContact CB-CB 4.47Å; L176-F208 HydrophobicContact CB-CE1 4.03Å; L176-F208 HydrophobicContact CB-CZ 3.89Å; L176-F208 HydrophobicContact CD1-CZ 4.16Å; L176-F208 HydrophobicContact CD2-CZ 4.18Å; L176-F208 HydrophobicContact CG-CZ 4.31Å; L176-F208 VanDerWaalsContact O-CE1 3.28Å; L176-F208 WeakPolarHBondContact O-CE1 3.3Å |
| 177 | R | 91.3 | Very high | 89.2 | Confident | 68 Ų | 68 | 27.8 Ų | 27.8 | 26% | 0.257 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -57.1 | -45.3 | 174.6 | -173.4 | 177.6 | -58.9 | 97.4 | -1.2 | 111.6 | A173 E174 V175 F179 G180 E181 A207 | A173-R177 WeakPolarHBondContact O-CB 3.47Å; A173-R177 PolarHBondContact O-N 3.21Å; E174-R177 PolarHBondContact O-N 3.01Å; E174-R177 IonicContact OE1-CZ 2.85Å; E174-R177 IonicContact OE1-NH1 2.63Å; E174-R177 PolarHBondContact OE1-NH1 3.05Å; E174-R177 IonicContact OE1-NH2 3.84Å; E174-R177 IonicContact OE2-CZ 3.3Å; E174-R177 IonicContact OE2-NH1 3.43Å; E174-R177 PolarHBondContact OE2-NH1 2.93Å; V175-R177 VanDerWaalsContact C-N 3.35Å; V175-R177 PolarHBondContact O-N 2.96Å; R177-F179 VanDerWaalsContact C-N 3.31Å; R177-F179 PolarHBondContact O-N 3.18Å; R177-G180 PolarHBondContact O-N 2.93Å; R177-G180 VanDerWaalsContact O-N 3.15Å; R177-E181 WeakPolarHBondContact O-CG 3.37Å; R177-E181 PolarHBondContact O-N 3.49Å; R177-E181 VanDerWaalsContact O-N 3.08Å; R177-A207 HydrophobicContact CB-CB 4.34Å |
| 178 | W | 91.4 | Very high | 90.9 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 6% | 0.064 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58 | -42.4 | 177.4 | -177.2 | 99 | 0 | 0 | 0 | 112.3 | P122 F123 K125 L126 F129 E174 V175 L176 R182 | P122-W178 VanDerWaalsContact O-CH2 3.25Å; P122-W178 WeakPolarHBondContact O-CH2 3.47Å; F123-W178 HydrophobicContact CD1-CH2 4.23Å; K125-W178 HydrophobicContact CB-CZ2 4.29Å; L126-W178 HydrophobicContact CD1-CH2 4.14Å; L126-W178 HydrophobicContact CD1-CZ3 4.03Å; L126-W178 HydrophobicContact CD2-CD2 3.55Å; L126-W178 HydrophobicContact CD2-CE3 3.47Å; L126-W178 VanDerWaalsContact CD2-CE3 3.47Å; L126-W178 HydrophobicContact CD2-CG 4.19Å; L126-W178 HydrophobicContact CD2-CH2 4.02Å; L126-W178 HydrophobicContact CD2-CZ2 4.06Å; L126-W178 HydrophobicContact CD2-CZ3 3.73Å; L126-W178 HydrophobicContact CG-CD2 4.37Å; L126-W178 HydrophobicContact CG-CE3 4.21Å; L126-W178 HydrophobicContact CG-CH2 3.84Å; L126-W178 HydrophobicContact CG-CZ2 3.98Å; L126-W178 HydrophobicContact CG-CZ3 3.95Å; F129-W178 HydrophobicContact CE2-CB 4.12Å; F129-W178 HydrophobicContact CE2-CG 4.06Å; F129-W178 HydrophobicContact CZ-CB 4Å; F129-W178 HydrophobicContact CZ-CG 4.35Å; E174-W178 WeakPolarHBondContact O-CB 3.34Å; E174-W178 PolarHBondContact O-N 2.8Å; V175-W178 WeakPolarHBondContact O-CB 3.3Å; V175-W178 PolarHBondContact O-N 3.19Å; L176-W178 VanDerWaalsContact C-N 3.3Å; L176-W178 PolarHBondContact O-N 3.13Å; W178-R182 VanDerWaalsContact CZ2-CD 3.48Å; W178-R182 PolarHBondContact O-NH1 3.25Å |
| 179 | F | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.1 | -43.2 | 174.4 | -82.4 | -71.4 | 0 | 0 | 0 | 111.6 | L63 F98 F123 L126 F137 I153 V175 L176 R177 E181 R182 V183 | L63-F179 HydrophobicContact CD1-CB 4.17Å; L63-F179 HydrophobicContact CD1-CG 4.27Å; L63-F179 HydrophobicContact CD2-CB 3.89Å; F98-F179 HydrophobicContact CD1-CD2 4.35Å; F98-F179 AromaticContact CD1-CE2 3.78Å; F98-F179 HydrophobicContact CD1-CE2 3.78Å; F98-F179 HydrophobicContact CD1-CZ 4.46Å; F98-F179 HydrophobicContact CE1-CD2 4.13Å; F98-F179 AromaticContact CE1-CE2 3.95Å; F98-F179 HydrophobicContact CE1-CE2 3.95Å; F123-F179 HydrophobicContact CE1-CE1 4.23Å; L126-F179 HydrophobicContact CD1-CZ 4.08Å; F137-F179 HydrophobicContact CE2-CZ 4.27Å; F137-F179 HydrophobicContact CZ-CZ 4.37Å; I153-F179 HydrophobicContact CD1-CE1 4.13Å; I153-F179 HydrophobicContact CG1-CD1 4.22Å; I153-F179 HydrophobicContact CG1-CE1 4.01Å; I153-F179 HydrophobicContact CG2-CD1 4.3Å; I153-F179 HydrophobicContact CG2-CE1 3.94Å; I153-F179 HydrophobicContact CG2-CE2 4.49Å; I153-F179 HydrophobicContact CG2-CZ 4.05Å; V175-F179 HydrophobicContact CG1-CD2 3.84Å; V175-F179 HydrophobicContact CG1-CE2 3.74Å; V175-F179 WeakPolarHBondContact O-CD2 3.33Å; V175-F179 PolarHBondContact O-N 2.96Å; L176-F179 PolarHBondContact O-N 3.06Å; R177-F179 VanDerWaalsContact C-N 3.31Å; R177-F179 PolarHBondContact O-N 3.18Å; F179-E181 PolarHBondContact O-N 3.05Å; F179-R182 CarbonylContact O-C 3.45Å; F179-R182 PolarHBondContact O-N 2.95Å; F179-V183 HydrophobicContact CB-CG1 4.28Å; F179-V183 HydrophobicContact CD1-CG1 4.43Å; F179-V183 WeakPolarHBondContact O-CG1 3.38Å; F179-V183 WeakPolarHBondContact O-CG2 3.31Å; F179-V183 PolarHBondContact O-N 2.8Å |
| 180 | G | 92.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56.2 | -34.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L176 R177 R182 | L176-G180 PolarHBondContact O-N 3.4Å; R177-G180 PolarHBondContact O-N 2.93Å; R177-G180 VanDerWaalsContact O-N 3.15Å; G180-R182 VanDerWaalsContact C-N 3.28Å; G180-R182 PolarHBondContact O-N 3.13Å |
| 181 | E | 86.9 | Confident | 92.7 | Very high | 63 Ų | 63 | 19 Ų | 19 | 29% | 0.294 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -22.5 | 174.2 | -70.4 | 175.5 | 173.2 | 0 | 0 | 114.1 | R177 F179 | R177-E181 WeakPolarHBondContact O-CG 3.37Å; R177-E181 PolarHBondContact O-N 3.49Å; R177-E181 VanDerWaalsContact O-N 3.08Å; F179-E181 PolarHBondContact O-N 3.05Å |
| 182 | R | 89.3 | Confident | 92.9 | Very high | 30 Ų | 30 | 14.9 Ų | 14.9 | 11% | 0.113 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -18.5 | -169 | -72 | 167.2 | -178.3 | 68.4 | 10.5 | 114.3 | M61 W178 F179 G180 | M61-R182 HydrophobicContact CE-CB 4.02Å; M61-R182 WeakPolarHBondContact CE-O 3.41Å; W178-R182 VanDerWaalsContact CZ2-CD 3.48Å; W178-R182 PolarHBondContact O-NH1 3.25Å; F179-R182 CarbonylContact O-C 3.45Å; F179-R182 PolarHBondContact O-N 2.95Å; G180-R182 VanDerWaalsContact C-N 3.28Å; G180-R182 PolarHBondContact O-N 3.13Å |
| 183 | V | 93.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | trans | -82.7 | 157.3 | 178.4 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | M61 L63 F179 I186 K214 | M61-V183 HydrophobicContact CB-CB 4.21Å; M61-V183 HydrophobicContact CB-CG1 3.87Å; M61-V183 WeakPolarHBondContact O-CB 3.5Å; L63-V183 HydrophobicContact CB-CB 4.29Å; L63-V183 HydrophobicContact CB-CG1 3.86Å; L63-V183 HydrophobicContact CB-CG2 4.12Å; F179-V183 HydrophobicContact CB-CG1 4.28Å; F179-V183 HydrophobicContact CD1-CG1 4.43Å; F179-V183 WeakPolarHBondContact O-CG1 3.38Å; F179-V183 WeakPolarHBondContact O-CG2 3.31Å; F179-V183 PolarHBondContact O-N 2.8Å; V183-I186 HydrophobicContact CG2-CD1 4.24Å; V183-I186 HydrophobicContact CG2-CG1 3.57Å; V183-K214 WeakPolarHBondContact O-CD 3.3Å; V183-K214 PolarHBondContact O-NZ 2.97Å | ||
| 184 | D | 94.3 | Very high | 92.3 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 6% | 0.059 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -93.2 | -24.8 | 177.6 | -65.3 | -107.2 | 0 | 0 | 0 | 111.7 | P60 M61 L286 R293 | P60-D184 WeakPolarHBondContact CA-OD2 3.22Å; P60-D184 HydrophobicContact CB-CB 4.14Å; P60-D184 WeakPolarHBondContact CB-OD2 3.32Å; M61-D184 PolarHBondContact N-OD2 3.23Å; M61-D184 PolarHBondContact O-N 3.25Å; D184-L286 HydrophobicContact CB-CD2 4.17Å; D184-R293 IonicContact OD1-NH1 2.68Å |
| 185 | R | 95.9 | Very high | 92 | Very high | 11 Ų | 11 | 25 Ų | 25 | 4% | 0.042 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 136.2 | -178 | -165.9 | 65.1 | 69.1 | -148.8 | 4.1 | 110.7 | M61 V62 L63 I187 D213 K214 D282 L286 | M61-R185 PolarHBondContact O-N 3.3Å; V62-R185 WeakPolarHBondContact CA-O 3.22Å; V62-R185 HydrophobicContact CG1-CB 4.31Å; V62-R185 HydrophobicContact CG2-CB 4.27Å; L63-R185 PolarHBondContact N-O 2.89Å; R185-I187 HydrophobicContact CG-CG1 4.16Å; R185-D213 PolarHBondContact NH1-O 2.85Å; R185-K214 VanDerWaalsContact CD-O 3.31Å; R185-K214 WeakPolarHBondContact CD-O 3.28Å; R185-D282 IonicContact CZ-OD1 3.54Å; R185-D282 IonicContact CZ-OD2 3.39Å; R185-D282 VanDerWaalsContact CZ-OD2 3.3Å; R185-D282 IonicContact NE-OD1 2.72Å; R185-D282 IonicContact NE-OD2 2.7Å; R185-D282 PolarHBondContact NE-OD2 2.86Å; R185-D282 IonicContact NH2-OD1 2.88Å; R185-D282 PolarHBondContact NH2-OD1 2.88Å; R185-D282 IonicContact NH2-OD2 3.58Å; R185-D282 PolarHBondContact NH2-OD2 3.39Å; R185-L286 HydrophobicContact CB-CD1 4.12Å; R185-L286 HydrophobicContact CB-CD2 4.24Å |
| 186 | I | 97.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 115.9 | 173.7 | -57.7 | 164.5 | 0 | 0 | 0 | 106.8 | L63 V65 V183 L188 F208 Q211 K214 I215 R216 | L63-I186 HydrophobicContact CD2-CG1 4.42Å; L63-I186 HydrophobicContact CD2-CG2 4.49Å; L63-I186 CarbonylContact O-C 3.6Å; L63-I186 WeakPolarHBondContact O-CA 3.34Å; V65-I186 HydrophobicContact CG2-CG2 4.48Å; V183-I186 HydrophobicContact CG2-CD1 4.24Å; V183-I186 HydrophobicContact CG2-CG1 3.57Å; I186-L188 HydrophobicContact CG2-CD2 3.94Å; I186-F208 HydrophobicContact CD1-CB 4.18Å; I186-F208 HydrophobicContact CD1-CD1 3.57Å; I186-F208 HydrophobicContact CD1-CD2 4.4Å; I186-F208 HydrophobicContact CD1-CE1 3.97Å; I186-F208 HydrophobicContact CD1-CG 3.81Å; I186-F208 HydrophobicContact CG2-CD2 4.17Å; I186-F208 HydrophobicContact CG2-CE2 3.89Å; I186-F208 HydrophobicContact CG2-CZ 4.09Å; I186-Q211 HydrophobicContact CD1-CB 4.41Å; I186-K214 HydrophobicContact CD1-CB 4.25Å; I186-K214 HydrophobicContact CG1-CB 4.39Å; I186-K214 PolarHBondContact N-O 2.72Å; I186-I215 HydrophobicContact CB-CG1 4.38Å; I186-I215 HydrophobicContact CD1-CG1 4.36Å; I186-I215 CarbonylContact O-C 3.29Å; I186-I215 WeakPolarHBondContact O-CA 3.5Å; I186-R216 PolarHBondContact O-N 2.8Å |
| 187 | I | 98.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 114.8 | 177 | -53.2 | -176.4 | 0 | 0 | 0 | 108.3 | V62 L63 L64 V65 F75 R185 L189 R216 V218 L279 I283 | V62-I187 HydrophobicContact CG1-CD1 3.6Å; V62-I187 HydrophobicContact CG1-CG1 3.87Å; L63-I187 PolarHBondContact O-N 3.4Å; L64-I187 HydrophobicContact CD2-CB 3.65Å; L64-I187 HydrophobicContact CD2-CD1 3.82Å; L64-I187 HydrophobicContact CD2-CG1 4.04Å; L64-I187 HydrophobicContact CD2-CG2 4.28Å; V65-I187 PolarHBondContact N-O 2.92Å; F75-I187 HydrophobicContact CE1-CD1 3.98Å; F75-I187 HydrophobicContact CZ-CD1 4.22Å; R185-I187 HydrophobicContact CG-CG1 4.16Å; I187-L189 HydrophobicContact CB-CD1 4.16Å; I187-L189 HydrophobicContact CG2-CD1 3.57Å; I187-L189 HydrophobicContact CG2-CG 4.43Å; I187-R216 CarbonylContact C-O 3.58Å; I187-R216 WeakPolarHBondContact CA-O 3.47Å; I187-V218 HydrophobicContact CG2-CB 4.13Å; I187-V218 HydrophobicContact CG2-CG2 3.46Å; I187-V218 VanDerWaalsContact CG2-CG2 3.46Å; I187-L279 HydrophobicContact CD1-CD1 4.45Å; I187-I283 HydrophobicContact CD1-CD1 3.99Å |
| 188 | L | 97.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 112 | 173.8 | -55.9 | -178 | 0 | 0 | 0 | 109.3 | V65 I186 F190 F201 I205 F208 I215 R216 V217 V218 | V65-L188 HydrophobicContact CB-CD2 3.92Å; V65-L188 HydrophobicContact CG1-CD2 4.49Å; V65-L188 CarbonylContact O-C 3.57Å; V65-L188 VanDerWaalsContact O-CA 3.31Å; V65-L188 WeakPolarHBondContact O-CA 3.42Å; I186-L188 HydrophobicContact CG2-CD2 3.94Å; L188-F190 HydrophobicContact CB-CE2 3.78Å; L188-F201 HydrophobicContact CD2-CE2 4.46Å; L188-I205 HydrophobicContact CD1-CD1 4.36Å; L188-I205 HydrophobicContact CD1-CG1 4.08Å; L188-F208 HydrophobicContact CD2-CE2 4.29Å; L188-I215 HydrophobicContact CD1-CG2 3.61Å; L188-I215 HydrophobicContact CG-CG2 3.93Å; L188-R216 PolarHBondContact N-O 3.38Å; L188-V217 HydrophobicContact CB-CG2 4.29Å; L188-V217 HydrophobicContact CD1-CG2 4.33Å; L188-V217 CarbonylContact O-C 3.54Å; L188-V217 WeakPolarHBondContact O-CA 3.34Å; L188-V218 PolarHBondContact O-N 3.05Å |
| 189 | L | 96.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.5 | -179.1 | -78.2 | 83.7 | 0 | 0 | 0 | 111.4 | L64 V65 K72 F75 I187 V218 | L64-L189 HydrophobicContact CB-CD1 4.26Å; L64-L189 HydrophobicContact CD2-CD1 4.14Å; V65-L189 PolarHBondContact O-N 2.78Å; K72-L189 HydrophobicContact CG-CB 4.43Å; K72-L189 HydrophobicContact CG-CD1 4.34Å; K72-L189 HydrophobicContact CG-CD2 4.18Å; F75-L189 HydrophobicContact CB-CD2 4.03Å; F75-L189 HydrophobicContact CD2-CD2 4.47Å; F75-L189 HydrophobicContact CG-CD2 4.27Å; I187-L189 HydrophobicContact CB-CD1 4.16Å; I187-L189 HydrophobicContact CG2-CD1 3.57Å; I187-L189 HydrophobicContact CG2-CG 4.43Å; L189-V218 HydrophobicContact CG-CB 4.33Å |
| 190 | F | 95.4 | Very high | 89.6 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 2% | 0.022 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 151.9 | 172.8 | -63.8 | -92.9 | 0 | 0 | 0 | 110.2 | L188 L195 I197 F201 I205 V217 V218 L219 N220 L237 L241 | L188-F190 HydrophobicContact CB-CE2 3.78Å; F190-L195 HydrophobicContact CB-CD1 4.23Å; F190-L195 HydrophobicContact CD1-CD1 4Å; F190-L195 HydrophobicContact CG-CD1 4.42Å; F190-I197 HydrophobicContact CE1-CD1 3.74Å; F190-I197 HydrophobicContact CE1-CG1 3.88Å; F190-I197 HydrophobicContact CZ-CD1 4.24Å; F190-F201 AromaticContact CD1-CE1 3.95Å; F190-F201 HydrophobicContact CD1-CE1 3.95Å; F190-F201 AromaticContact CE1-CD1 3.99Å; F190-F201 HydrophobicContact CE1-CD1 3.99Å; F190-F201 AromaticContact CE1-CE1 3.26Å; F190-F201 HydrophobicContact CE1-CE1 3.26Å; F190-F201 HydrophobicContact CE1-CZ 4.01Å; F190-F201 HydrophobicContact CE2-CE1 4.31Å; F190-F201 HydrophobicContact CE2-CZ 4.28Å; F190-F201 HydrophobicContact CZ-CD1 4.41Å; F190-F201 AromaticContact CZ-CE1 3.48Å; F190-F201 HydrophobicContact CZ-CE1 3.48Å; F190-F201 VanDerWaalsContact CZ-CE1 3.48Å; F190-F201 AromaticContact CZ-CZ 3.73Å; F190-F201 HydrophobicContact CZ-CZ 3.73Å; F190-I205 HydrophobicContact CZ-CD1 4.46Å; F190-V217 HydrophobicContact CD2-CG1 3.67Å; F190-V217 HydrophobicContact CE2-CG1 3.77Å; F190-V218 PolarHBondContact N-O 3.05Å; F190-L219 HydrophobicContact CB-CD1 3.96Å; F190-N220 WeakPolarHBondContact O-CA 3.13Å; F190-N220 WeakPolarHBondContact O-CB 3.25Å; F190-N220 PolarHBondContact O-N 2.83Å; F190-L237 HydrophobicContact CB-CD1 4.48Å; F190-L237 HydrophobicContact CD1-CD1 3.64Å; F190-L237 HydrophobicContact CD2-CD1 3.82Å; F190-L237 HydrophobicContact CD2-CD2 4.37Å; F190-L237 HydrophobicContact CE1-CD1 3.69Å; F190-L237 HydrophobicContact CE2-CD1 3.87Å; F190-L237 HydrophobicContact CG-CD1 3.7Å; F190-L237 HydrophobicContact CG-CD2 4.43Å; F190-L237 HydrophobicContact CZ-CD1 3.82Å; F190-L241 HydrophobicContact CE2-CD2 4.33Å; F190-L241 HydrophobicContact CZ-CD2 3.9Å |
| 191 | D | 92.6 | Very high | 89.5 | Confident | 10 Ų | 10 | 32.9 Ų | 32.9 | 5% | 0.053 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 123 | 175.9 | -172.6 | -33.8 | 0 | 0 | 0 | 109.2 | T70 H193 K194 L195 K221 | T70-D191 HydrophobicContact CG2-CB 4.32Å; D191-H193 PolarHBondContact O-N 3.41Å; D191-H193 WeakPolarHBondContact OD1-CB 3.43Å; D191-H193 PolarHBondContact OD1-N 2.96Å; D191-K194 HydrophobicContact CB-CB 4.49Å; D191-K194 CarbonylContact O-C 3.04Å; D191-K194 VanDerWaalsContact O-C 3.29Å; D191-K194 PolarHBondContact O-N 3.03Å; D191-L195 PolarHBondContact O-N 3.33Å; D191-K221 WeakPolarHBondContact OD2-CD 3.33Å; D191-K221 WeakPolarHBondContact OD2-CE 3.44Å; D191-K221 IonicContact OD2-NZ 3.7Å; D191-K221 PolarHBondContact OD2-NZ 2.98Å |
| 192 | A | 91.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -63.8 | -25.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L219 N220 A222 V225 V233 | A192-L219 HydrophobicContact CB-CD1 4Å; A192-L219 HydrophobicContact CB-CG 4.11Å; A192-N220 WeakPolarHBondContact CB-O 3.35Å; A192-N220 PolarHBondContact N-O 3.07Å; A192-A222 HydrophobicContact CB-CB 4.48Å; A192-V225 HydrophobicContact CB-CG2 4.27Å; A192-V233 WeakPolarHBondContact O-CG2 3.35Å |
| 193 | H | 84.7 | Confident | 89.6 | Confident | 106 Ų | 106 | 33.9 Ų | 33.9 | 49% | 0.491 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -83.6 | -28.9 | 178.1 | -172.1 | 74.5 | 0 | 0 | 0 | 112.4 | D191 | D191-H193 PolarHBondContact O-N 3.41Å; D191-H193 WeakPolarHBondContact OD1-CB 3.43Å; D191-H193 PolarHBondContact OD1-N 2.96Å |
| 194 | K | 80.9 | Confident | 89.4 | Confident | 151 Ų | 151 | 33.9 Ų | 33.9 | 66% | 0.657 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -131.4 | 68.7 | -176.5 | -64.6 | -175.6 | -178.4 | -179.8 | 0 | 111 | D191 D196 | D191-K194 HydrophobicContact CB-CB 4.49Å; D191-K194 CarbonylContact O-C 3.04Å; D191-K194 VanDerWaalsContact O-C 3.29Å; D191-K194 PolarHBondContact O-N 3.03Å; K194-D196 PolarHBondContact O-N 2.87Å |
| 195 | L | 81.4 | Confident | 89.4 | Confident | 49 Ų | 49 | 33.6 Ų | 33.6 | 26% | 0.257 | 17% | 0.166 | S | C | . | . | trans | -77.5 | 106.1 | 175.8 | -171.8 | 78.2 | 0 | 0 | 0 | 110.5 | F190 D191 V233 A236 L237 | F190-L195 HydrophobicContact CB-CD1 4.23Å; F190-L195 HydrophobicContact CD1-CD1 4Å; F190-L195 HydrophobicContact CG-CD1 4.42Å; D191-L195 PolarHBondContact O-N 3.33Å; L195-V233 HydrophobicContact CB-CG1 4.01Å; L195-V233 HydrophobicContact CD1-CG1 4.45Å; L195-V233 HydrophobicContact CD2-CG1 4.07Å; L195-V233 WeakPolarHBondContact CD2-O 3.38Å; L195-V233 HydrophobicContact CG-CG1 4.4Å; L195-A236 HydrophobicContact CD2-CB 3.7Å; L195-L237 HydrophobicContact CD1-CB 3.94Å; L195-L237 HydrophobicContact CD1-CD1 3.89Å; L195-L237 HydrophobicContact CD1-CG 4.36Å; L195-L237 HydrophobicContact CD2-CB 4Å | ||
| 196 | D | 79.1 | Confident | 89.1 | Confident | 86 Ų | 86 | 39.1 Ų | 39.1 | 46% | 0.46 | 19% | 0.191 | S | C | . | . | trans | -138.6 | 139.6 | 167.9 | -172.9 | 14.1 | 0 | 0 | 0 | 109.4 | Q67 K194 | Q67-D196 VanDerWaalsContact CD-O 3.29Å; Q67-D196 PolarHBondContact NE2-O 3.36Å; Q67-D196 PolarHBondContact OE1-O 2.88Å; K194-D196 PolarHBondContact O-N 2.87Å | ||
| 197 | I | 83.2 | Confident | 88.7 | Confident | 26 Ų | 26 | 39.4 Ų | 39.4 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | trans | -117.4 | 85 | 171.6 | -46.6 | -163 | 0 | 0 | 0 | 107.4 | F190 F201 S202 I205 L237 S240 L241 | F190-I197 HydrophobicContact CE1-CD1 3.74Å; F190-I197 HydrophobicContact CE1-CG1 3.88Å; F190-I197 HydrophobicContact CZ-CD1 4.24Å; I197-F201 HydrophobicContact CG2-CB 4.38Å; I197-F201 HydrophobicContact CG2-CD1 4.25Å; I197-S202 WeakPolarHBondContact CG2-OG 3.5Å; I197-I205 HydrophobicContact CG2-CD1 4.49Å; I197-L237 HydrophobicContact CD1-CD1 4.29Å; I197-S240 VanDerWaalsContact CD1-CB 3.46Å; I197-L241 HydrophobicContact CD1-CD2 4.33Å | ||
| 198 | S | 84.1 | Confident | 88.4 | Confident | 13 Ų | 13 | 39.5 Ų | 39.5 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | trans | -56.2 | 156.7 | 174.9 | 59.6 | 0 | 0 | 0 | 0 | 111.9 | Q67 E200 F201 S202 | Q67-S198 VanDerWaalsContact NE2-CB 3.35Å; Q67-S198 PolarHBondContact NE2-OG 3.2Å; S198-E200 PolarHBondContact O-N 2.79Å; S198-F201 PolarHBondContact O-N 3.08Å; S198-F201 WeakPolarHBondContact OG-CB 3.29Å; S198-F201 PolarHBondContact OG-N 3.45Å; S198-S202 PolarHBondContact O-N 2.93Å; S198-S202 PolarHBondContact O-OG 3.43Å | ||
| 199 | D | 83.9 | Confident | 87.9 | Confident | 113 Ų | 113 | 47.7 Ų | 47.7 | 60% | 0.604 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -56.3 | -38.5 | 176.6 | -66.4 | -32.1 | 0 | 0 | 0 | 113 | S202 E203 | D199-S202 WeakPolarHBondContact O-CB 3.29Å; D199-S202 PolarHBondContact O-N 3.38Å; D199-E203 WeakPolarHBondContact O-CB 3.36Å; D199-E203 PolarHBondContact O-N 3.19Å |
| 200 | E | 83.8 | Confident | 87.1 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 7% | 0.065 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -38.4 | 176.5 | -166.4 | -173.5 | 140.4 | 0 | 0 | 112 | I158 R168 S198 E203 A204 | I158-E200 HydrophobicContact CG2-CB 3.97Å; I158-E200 HydrophobicContact CG2-CG 3.93Å; R168-E200 IonicContact CZ-OE1 3.07Å; R168-E200 IonicContact NH1-OE1 2.66Å; R168-E200 PolarHBondContact NH1-OE1 2.74Å; R168-E200 IonicContact NH2-OE1 2.71Å; R168-E200 PolarHBondContact NH2-OE1 2.94Å; S198-E200 PolarHBondContact O-N 2.79Å; E200-E203 PolarHBondContact O-N 3.15Å; E200-A204 WeakPolarHBondContact O-CB 3.47Å; E200-A204 PolarHBondContact O-N 3.21Å |
| 201 | F | 89.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 174.8 | -166.2 | -166.4 | 0 | 0 | 0 | 111.2 | V65 Q67 I158 L188 F190 I197 S198 E203 A204 I205 | V65-F201 HydrophobicContact CG1-CE2 3.99Å; Q67-F201 HydrophobicContact CG-CB 4.32Å; Q67-F201 HydrophobicContact CG-CD1 3.71Å; Q67-F201 HydrophobicContact CG-CE1 4.27Å; Q67-F201 HydrophobicContact CG-CG 4.22Å; I158-F201 HydrophobicContact CD1-CB 4.3Å; I158-F201 HydrophobicContact CD1-CD2 3.36Å; I158-F201 HydrophobicContact CD1-CE2 3.93Å; I158-F201 HydrophobicContact CD1-CG 4.05Å; I158-F201 HydrophobicContact CG2-CB 4.02Å; L188-F201 HydrophobicContact CD2-CE2 4.46Å; F190-F201 AromaticContact CD1-CE1 3.95Å; F190-F201 HydrophobicContact CD1-CE1 3.95Å; F190-F201 AromaticContact CE1-CD1 3.99Å; F190-F201 HydrophobicContact CE1-CD1 3.99Å; F190-F201 AromaticContact CE1-CE1 3.26Å; F190-F201 HydrophobicContact CE1-CE1 3.26Å; F190-F201 HydrophobicContact CE1-CZ 4.01Å; F190-F201 HydrophobicContact CE2-CE1 4.31Å; F190-F201 HydrophobicContact CE2-CZ 4.28Å; F190-F201 HydrophobicContact CZ-CD1 4.41Å; F190-F201 AromaticContact CZ-CE1 3.48Å; F190-F201 HydrophobicContact CZ-CE1 3.48Å; F190-F201 VanDerWaalsContact CZ-CE1 3.48Å; F190-F201 AromaticContact CZ-CZ 3.73Å; F190-F201 HydrophobicContact CZ-CZ 3.73Å; I197-F201 HydrophobicContact CG2-CB 4.38Å; I197-F201 HydrophobicContact CG2-CD1 4.25Å; S198-F201 PolarHBondContact O-N 3.08Å; S198-F201 WeakPolarHBondContact OG-CB 3.29Å; S198-F201 PolarHBondContact OG-N 3.45Å; F201-E203 VanDerWaalsContact C-N 3.3Å; F201-E203 PolarHBondContact O-N 2.87Å; F201-A204 HydrophobicContact CD2-CB 4.32Å; F201-A204 WeakPolarHBondContact O-CB 3.46Å; F201-A204 PolarHBondContact O-N 3.43Å; F201-I205 HydrophobicContact CD2-CD1 4.03Å; F201-I205 HydrophobicContact CD2-CG1 3.97Å; F201-I205 HydrophobicContact CE2-CD1 4.01Å; F201-I205 HydrophobicContact CE2-CG1 3.9Å; F201-I205 HydrophobicContact CG-CD1 4.34Å; F201-I205 HydrophobicContact CZ-CD1 4.31Å; F201-I205 VanDerWaalsContact O-CG1 3.28Å; F201-I205 WeakPolarHBondContact O-CG1 3.46Å; F201-I205 PolarHBondContact O-N 3.04Å |
| 202 | S | 89.7 | Confident | 86.5 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 12% | 0.119 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -40.6 | 172.7 | -66.3 | 0 | 0 | 0 | 0 | 112 | I197 S198 D199 I205 K206 | I197-S202 WeakPolarHBondContact CG2-OG 3.5Å; S198-S202 PolarHBondContact O-N 2.93Å; S198-S202 PolarHBondContact O-OG 3.43Å; D199-S202 WeakPolarHBondContact O-CB 3.29Å; D199-S202 PolarHBondContact O-N 3.38Å; S202-I205 PolarHBondContact O-N 2.68Å; S202-K206 WeakPolarHBondContact O-CB 3.49Å; S202-K206 VanDerWaalsContact O-CG 3.23Å; S202-K206 WeakPolarHBondContact O-CG 3.19Å; S202-K206 PolarHBondContact O-N 3.43Å |
| 203 | E | 88.5 | Confident | 86.4 | Confident | 97 Ų | 97 | 56.5 Ų | 56.5 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 174.7 | -174.8 | 173.3 | -165 | 0 | 0 | 112.2 | R165 A173 D199 E200 F201 I205 K206 A207 | R165-E203 IonicContact NH2-OE2 2.6Å; A173-E203 HydrophobicContact CB-CG 4.4Å; D199-E203 WeakPolarHBondContact O-CB 3.36Å; D199-E203 PolarHBondContact O-N 3.19Å; E200-E203 PolarHBondContact O-N 3.15Å; F201-E203 VanDerWaalsContact C-N 3.3Å; F201-E203 PolarHBondContact O-N 2.87Å; E203-I205 PolarHBondContact O-N 2.97Å; E203-K206 PolarHBondContact O-N 3.21Å; E203-A207 PolarHBondContact O-N 3.41Å |
| 204 | A | 90.6 | Very high | 86.7 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I158 F172 L176 E200 F201 A207 F208 | I158-A204 HydrophobicContact CD1-CB 3.68Å; F172-A204 HydrophobicContact CE1-CB 4.25Å; L176-A204 HydrophobicContact CD1-CB 3.49Å; L176-A204 VanDerWaalsContact CD1-CB 3.49Å; E200-A204 WeakPolarHBondContact O-CB 3.47Å; E200-A204 PolarHBondContact O-N 3.21Å; F201-A204 HydrophobicContact CD2-CB 4.32Å; F201-A204 WeakPolarHBondContact O-CB 3.46Å; F201-A204 PolarHBondContact O-N 3.43Å; A204-A207 VanDerWaalsContact O-CB 3.25Å; A204-A207 WeakPolarHBondContact O-CB 3.42Å; A204-A207 PolarHBondContact O-N 2.94Å; A204-F208 WeakPolarHBondContact O-CD2 3.4Å |
| 205 | I | 92.6 | Very high | 87.4 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.7 | -42.9 | 176 | -65.2 | 165.3 | 0 | 0 | 0 | 110.3 | L188 F190 I197 F201 S202 E203 A207 F208 L241 V244 I245 | L188-I205 HydrophobicContact CD1-CD1 4.36Å; L188-I205 HydrophobicContact CD1-CG1 4.08Å; F190-I205 HydrophobicContact CZ-CD1 4.46Å; I197-I205 HydrophobicContact CG2-CD1 4.49Å; F201-I205 HydrophobicContact CD2-CD1 4.03Å; F201-I205 HydrophobicContact CD2-CG1 3.97Å; F201-I205 HydrophobicContact CE2-CD1 4.01Å; F201-I205 HydrophobicContact CE2-CG1 3.9Å; F201-I205 HydrophobicContact CG-CD1 4.34Å; F201-I205 HydrophobicContact CZ-CD1 4.31Å; F201-I205 VanDerWaalsContact O-CG1 3.28Å; F201-I205 WeakPolarHBondContact O-CG1 3.46Å; F201-I205 PolarHBondContact O-N 3.04Å; S202-I205 PolarHBondContact O-N 2.68Å; E203-I205 PolarHBondContact O-N 2.97Å; I205-A207 PolarHBondContact O-N 3.36Å; I205-F208 WeakPolarHBondContact O-CB 3.18Å; I205-F208 PolarHBondContact O-N 3.42Å; I205-L241 HydrophobicContact CD1-CD2 4.21Å; I205-V244 HydrophobicContact CB-CG1 3.78Å; I205-V244 HydrophobicContact CD1-CG1 4.31Å; I205-V244 HydrophobicContact CG2-CG1 3.69Å; I205-I245 HydrophobicContact CG2-CD1 4.4Å; I205-I245 HydrophobicContact CG2-CG1 3.72Å |
| 206 | K | 90.5 | Very high | 88.1 | Confident | 128 Ų | 128 | 44.4 Ų | 44.4 | 56% | 0.557 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.9 | -25.1 | 175.6 | -74 | 169.3 | -176.5 | 176.1 | 0 | 112.9 | S202 E203 F208 K209 V244 | S202-K206 WeakPolarHBondContact O-CB 3.49Å; S202-K206 VanDerWaalsContact O-CG 3.23Å; S202-K206 WeakPolarHBondContact O-CG 3.19Å; S202-K206 PolarHBondContact O-N 3.43Å; E203-K206 PolarHBondContact O-N 3.21Å; K206-F208 PolarHBondContact O-N 2.91Å; K206-K209 WeakPolarHBondContact O-CB 3.36Å; K206-K209 PolarHBondContact O-N 3.18Å; K206-V244 HydrophobicContact CG-CG1 4.24Å |
| 207 | A | 89.9 | Confident | 89 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | A173 L176 R177 E203 A204 I205 | A173-A207 HydrophobicContact CB-CB 4.42Å; L176-A207 HydrophobicContact CB-CB 4.47Å; R177-A207 HydrophobicContact CB-CB 4.34Å; E203-A207 PolarHBondContact O-N 3.41Å; A204-A207 VanDerWaalsContact O-CB 3.25Å; A204-A207 WeakPolarHBondContact O-CB 3.42Å; A204-A207 PolarHBondContact O-N 2.94Å; I205-A207 PolarHBondContact O-N 3.36Å |
| 208 | F | 91.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 8.1 | 177.3 | -56 | -53.1 | 0 | 0 | 0 | 114.7 | L63 V65 L176 I186 L188 A204 I205 K206 G210 Q211 I215 | L63-F208 HydrophobicContact CD2-CE1 3.79Å; L63-F208 HydrophobicContact CD2-CZ 3.7Å; V65-F208 HydrophobicContact CG2-CE2 4.06Å; V65-F208 HydrophobicContact CG2-CZ 3.86Å; L176-F208 HydrophobicContact CB-CE1 4.03Å; L176-F208 HydrophobicContact CB-CZ 3.89Å; L176-F208 HydrophobicContact CD1-CZ 4.16Å; L176-F208 HydrophobicContact CD2-CZ 4.18Å; L176-F208 HydrophobicContact CG-CZ 4.31Å; L176-F208 VanDerWaalsContact O-CE1 3.28Å; L176-F208 WeakPolarHBondContact O-CE1 3.3Å; I186-F208 HydrophobicContact CD1-CB 4.18Å; I186-F208 HydrophobicContact CD1-CD1 3.57Å; I186-F208 HydrophobicContact CD1-CD2 4.4Å; I186-F208 HydrophobicContact CD1-CE1 3.97Å; I186-F208 HydrophobicContact CD1-CG 3.81Å; I186-F208 HydrophobicContact CG2-CD2 4.17Å; I186-F208 HydrophobicContact CG2-CE2 3.89Å; I186-F208 HydrophobicContact CG2-CZ 4.09Å; L188-F208 HydrophobicContact CD2-CE2 4.29Å; A204-F208 WeakPolarHBondContact O-CD2 3.4Å; I205-F208 WeakPolarHBondContact O-CB 3.18Å; I205-F208 PolarHBondContact O-N 3.42Å; K206-F208 PolarHBondContact O-N 2.91Å; F208-G210 PolarHBondContact O-N 3.28Å; F208-Q211 WeakPolarHBondContact O-CA 3.48Å; F208-Q211 WeakPolarHBondContact O-CB 3.28Å; F208-Q211 PolarHBondContact O-N 2.87Å; F208-I215 HydrophobicContact CB-CD1 4.14Å |
| 209 | K | 85.7 | Confident | 90.3 | Very high | 172 Ų | 172 | 38.4 Ų | 38.4 | 75% | 0.748 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 128 | 178.7 | -176.9 | 178.5 | -179.1 | 179.3 | 0 | 111.3 | K206 Q211 | K206-K209 WeakPolarHBondContact O-CB 3.36Å; K206-K209 PolarHBondContact O-N 3.18Å; K209-Q211 VanDerWaalsContact C-N 3.33Å |
| 210 | G | 81.1 | Confident | 90.9 | Very high | 42 Ų | 42 | 33.4 Ų | 33.4 | 43% | 0.433 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -1.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F208 D212 | F208-G210 PolarHBondContact O-N 3.28Å; G210-D212 PolarHBondContact N-OD2 2.58Å; G210-D212 VanDerWaalsContact N-OD2 3.11Å |
| 211 | Q | 87.4 | Confident | 91.5 | Very high | 31 Ų | 31 | 34.1 Ų | 34.1 | 15% | 0.145 | 17% | 0.171 | C | C | . | . | trans | -115.2 | 24.1 | 171 | -54 | -63.3 | -13.6 | 0 | 0 | 111 | I186 F208 K209 D213 K214 | I186-Q211 HydrophobicContact CD1-CB 4.41Å; F208-Q211 WeakPolarHBondContact O-CA 3.48Å; F208-Q211 WeakPolarHBondContact O-CB 3.28Å; F208-Q211 PolarHBondContact O-N 2.87Å; K209-Q211 VanDerWaalsContact C-N 3.33Å; Q211-D213 PolarHBondContact O-N 2.91Å; Q211-K214 HydrophobicContact CB-CD 4.23Å; Q211-K214 HydrophobicContact CB-CG 4.49Å; Q211-K214 WeakPolarHBondContact O-CB 3.46Å; Q211-K214 PolarHBondContact O-N 2.99Å | ||
| 212 | D | 87.7 | Confident | 91.7 | Very high | 41 Ų | 41 | 34.1 Ų | 34.1 | 22% | 0.219 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -59.9 | -32.5 | -172.9 | -50.1 | -75.2 | 0 | 0 | 0 | 111.9 | G210 K214 I215 I245 | G210-D212 PolarHBondContact N-OD2 2.58Å; G210-D212 VanDerWaalsContact N-OD2 3.11Å; D212-K214 PolarHBondContact O-N 3.21Å; D212-I215 WeakPolarHBondContact O-CB 3.44Å; D212-I215 PolarHBondContact O-N 2.87Å; D212-I215 VanDerWaalsContact O-N 3.08Å; D212-I245 WeakPolarHBondContact OD1-CG2 3.41Å |
| 213 | D | 88.1 | Confident | 91.9 | Very high | 87 Ų | 87 | 33.3 Ų | 33.3 | 47% | 0.465 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -62.9 | -24.8 | 176.6 | 64.8 | -82 | 0 | 0 | 0 | 113.7 | R185 Q211 R216 K300 | R185-D213 PolarHBondContact NH1-O 2.85Å; Q211-D213 PolarHBondContact O-N 2.91Å; D213-R216 PolarHBondContact O-NH1 3.04Å; D213-K300 IonicContact OD1-NZ 3.94Å; D213-K300 PolarHBondContact OD1-NZ 3.26Å |
| 214 | K | 92.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -84.5 | -14.4 | 178.4 | -53.9 | -173.7 | 177.1 | -174.4 | 0 | 112.5 | V183 R185 I186 Q211 D212 D297 | V183-K214 WeakPolarHBondContact O-CD 3.3Å; V183-K214 PolarHBondContact O-NZ 2.97Å; R185-K214 VanDerWaalsContact CD-O 3.31Å; R185-K214 WeakPolarHBondContact CD-O 3.28Å; I186-K214 HydrophobicContact CD1-CB 4.25Å; I186-K214 HydrophobicContact CG1-CB 4.39Å; I186-K214 PolarHBondContact N-O 2.72Å; Q211-K214 HydrophobicContact CB-CD 4.23Å; Q211-K214 HydrophobicContact CB-CG 4.49Å; Q211-K214 WeakPolarHBondContact O-CB 3.46Å; Q211-K214 PolarHBondContact O-N 2.99Å; D212-K214 PolarHBondContact O-N 3.21Å; K214-D297 IonicContact NZ-OD1 2.81Å; K214-D297 IonicContact NZ-OD2 3.98Å; K214-D297 PolarHBondContact NZ-OD2 3.49Å |
| 215 | I | 95.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 134 | -173.9 | -59.2 | 178.3 | 0 | 0 | 0 | 110.7 | I186 L188 F208 D212 V217 V251 | I186-I215 HydrophobicContact CB-CG1 4.38Å; I186-I215 HydrophobicContact CD1-CG1 4.36Å; I186-I215 CarbonylContact O-C 3.29Å; I186-I215 WeakPolarHBondContact O-CA 3.5Å; L188-I215 HydrophobicContact CD1-CG2 3.61Å; L188-I215 HydrophobicContact CG-CG2 3.93Å; F208-I215 HydrophobicContact CB-CD1 4.14Å; D212-I215 WeakPolarHBondContact O-CB 3.44Å; D212-I215 PolarHBondContact O-N 2.87Å; D212-I215 VanDerWaalsContact O-N 3.08Å; I215-V217 HydrophobicContact CG2-CG2 4.42Å; I215-V251 HydrophobicContact CG2-CG1 4Å |
| 216 | R | 96.4 | Very high | 92.2 | Very high | 48 Ų | 48 | 34.8 Ų | 34.8 | 18% | 0.181 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 142.9 | 164.7 | -66.4 | -59.9 | -179.4 | -92.3 | 1.7 | 108.6 | I186 I187 L188 D213 Y254 D282 | I186-R216 PolarHBondContact O-N 2.8Å; I187-R216 CarbonylContact C-O 3.58Å; I187-R216 WeakPolarHBondContact CA-O 3.47Å; L188-R216 PolarHBondContact N-O 3.38Å; D213-R216 PolarHBondContact O-NH1 3.04Å; R216-Y254 HydrophobicContact CB-CD2 4.39Å; R216-Y254 HydrophobicContact CB-CE2 3.86Å; R216-Y254 HydrophobicContact CG-CE2 3.92Å; R216-D282 IonicContact CZ-OD2 3.27Å; R216-D282 IonicContact NE-OD1 2.72Å; R216-D282 IonicContact NE-OD2 2.7Å; R216-D282 PolarHBondContact NE-OD2 2.79Å; R216-D282 IonicContact NH2-OD1 3.43Å; R216-D282 PolarHBondContact NH2-OD1 2.82Å |
| 217 | V | 97.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 137 | -180 | 176.2 | 0 | 0 | 0 | 0 | 108.2 | L188 F190 I215 L237 L241 V251 R252 V253 Y254 | L188-V217 HydrophobicContact CB-CG2 4.29Å; L188-V217 HydrophobicContact CD1-CG2 4.33Å; L188-V217 CarbonylContact O-C 3.54Å; L188-V217 WeakPolarHBondContact O-CA 3.34Å; F190-V217 HydrophobicContact CD2-CG1 3.67Å; F190-V217 HydrophobicContact CE2-CG1 3.77Å; I215-V217 HydrophobicContact CG2-CG2 4.42Å; V217-L237 HydrophobicContact CG1-CD2 3.96Å; V217-L241 HydrophobicContact CB-CD1 4.45Å; V217-L241 HydrophobicContact CG1-CD1 4.08Å; V217-L241 HydrophobicContact CG2-CD1 3.73Å; V217-V251 HydrophobicContact CB-CG1 4.48Å; V217-V251 HydrophobicContact CG2-CB 4.49Å; V217-V251 HydrophobicContact CG2-CG1 3.64Å; V217-R252 PolarHBondContact N-O 2.78Å; V217-V253 HydrophobicContact CB-CB 4.33Å; V217-V253 HydrophobicContact CB-CG1 4.47Å; V217-V253 HydrophobicContact CB-CG2 3.91Å; V217-V253 HydrophobicContact CG1-CB 4.39Å; V217-V253 HydrophobicContact CG1-CG1 4.06Å; V217-V253 HydrophobicContact CG1-CG2 3.94Å; V217-V253 CarbonylContact O-C 3.56Å; V217-V253 VanDerWaalsContact O-CA 3.28Å; V217-V253 WeakPolarHBondContact O-CA 3.43Å; V217-Y254 WeakPolarHBondContact O-CD2 3.47Å; V217-Y254 PolarHBondContact O-N 2.7Å |
| 218 | V | 98.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 117.1 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 107.8 | I187 L188 L189 F190 N220 Y254 F258 L279 | I187-V218 HydrophobicContact CG2-CB 4.13Å; I187-V218 HydrophobicContact CG2-CG2 3.46Å; I187-V218 VanDerWaalsContact CG2-CG2 3.46Å; L188-V218 PolarHBondContact O-N 3.05Å; L189-V218 HydrophobicContact CG-CB 4.33Å; F190-V218 PolarHBondContact N-O 3.05Å; V218-N220 HydrophobicContact CG1-CB 4.26Å; V218-N220 PolarHBondContact O-N 2.88Å; V218-Y254 WeakPolarHBondContact CA-O 3.45Å; V218-Y254 HydrophobicContact CG2-CD2 4.39Å; V218-F258 HydrophobicContact CG1-CD2 3.62Å; V218-F258 HydrophobicContact CG1-CE2 3.34Å; V218-F258 HydrophobicContact CG1-CZ 4.13Å; V218-L279 HydrophobicContact CG2-CD2 3.75Å |
| 219 | L | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 91.6 | 170 | -174.7 | 56 | 0 | 0 | 0 | 108 | F190 A192 L230 V233 L237 V253 Y254 L255 G256 | F190-L219 HydrophobicContact CB-CD1 3.96Å; A192-L219 HydrophobicContact CB-CD1 4Å; A192-L219 HydrophobicContact CB-CG 4.11Å; L219-L230 HydrophobicContact CD2-CD1 4.22Å; L219-V233 HydrophobicContact CD1-CG1 4.17Å; L219-V233 HydrophobicContact CD2-CG1 4.15Å; L219-L237 HydrophobicContact CB-CD2 4.34Å; L219-L237 HydrophobicContact CD1-CD2 4.23Å; L219-L237 HydrophobicContact CD2-CD2 4.39Å; L219-V253 HydrophobicContact CB-CG1 4.07Å; L219-Y254 PolarHBondContact N-O 3.21Å; L219-L255 HydrophobicContact CD2-CD2 3.93Å; L219-G256 PolarHBondContact O-N 2.92Å; L219-G256 VanDerWaalsContact O-N 3.13Å |
| 220 | N | 96.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 162.5 | -173.9 | -161.6 | 15.8 | 0 | 0 | 0 | 111.8 | T70 F190 A192 V218 A222 G256 F258 | T70-N220 PolarHBondContact O-ND2 3.17Å; F190-N220 WeakPolarHBondContact O-CA 3.13Å; F190-N220 WeakPolarHBondContact O-CB 3.25Å; F190-N220 PolarHBondContact O-N 2.83Å; A192-N220 WeakPolarHBondContact CB-O 3.35Å; A192-N220 PolarHBondContact N-O 3.07Å; V218-N220 HydrophobicContact CG1-CB 4.26Å; V218-N220 PolarHBondContact O-N 2.88Å; N220-A222 PolarHBondContact O-N 3.46Å; N220-G256 CarbonylContact C-O 3.4Å; N220-G256 VanDerWaalsContact C-O 3.27Å; N220-G256 VanDerWaalsContact CA-O 3.24Å; N220-G256 WeakPolarHBondContact CA-O 3.5Å; N220-F258 PolarHBondContact OD1-N 3.24Å; N220-F258 VanDerWaalsContact OD1-N 3.11Å |
| 221 | K | 95 | Very high | 93.2 | Very high | 30 Ų | 30 | 35.1 Ų | 35.1 | 13% | 0.13 | 17% | 0.173 | C | C | . | . | trans | 58.1 | 29.7 | -179.2 | -51.2 | -174.8 | -163.4 | 164.1 | 0 | 113 | S69 D191 D223 Q224 G256 S257 | S69-K221 PolarHBondContact O-NZ 3.23Å; D191-K221 WeakPolarHBondContact OD2-CD 3.33Å; D191-K221 WeakPolarHBondContact OD2-CE 3.44Å; D191-K221 IonicContact OD2-NZ 3.7Å; D191-K221 PolarHBondContact OD2-NZ 2.98Å; K221-D223 PolarHBondContact O-N 3.44Å; K221-Q224 HydrophobicContact CB-CG 4.11Å; K221-Q224 WeakPolarHBondContact O-CB 3.46Å; K221-Q224 PolarHBondContact O-N 2.88Å; K221-Q224 VanDerWaalsContact O-N 3.08Å; K221-G256 PolarHBondContact N-O 3.47Å; K221-S257 VanDerWaalsContact CA-OG 3.26Å; K221-S257 WeakPolarHBondContact CA-OG 3.08Å | ||
| 222 | A | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -63.1 | -22 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | A192 N220 Q224 V225 L230 G256 S257 F272 | A192-A222 HydrophobicContact CB-CB 4.48Å; N220-A222 PolarHBondContact O-N 3.46Å; A222-Q224 PolarHBondContact O-N 3.2Å; A222-V225 WeakPolarHBondContact O-CG2 3.27Å; A222-L230 HydrophobicContact CB-CD1 3.79Å; A222-G256 PolarHBondContact N-O 3.1Å; A222-G256 VanDerWaalsContact N-O 3.14Å; A222-S257 PolarHBondContact N-OG 3.08Å; A222-F272 HydrophobicContact CB-CD1 4.19Å; A222-F272 HydrophobicContact CB-CE1 3.44Å; A222-F272 VanDerWaalsContact CB-CE1 3.44Å; A222-F272 HydrophobicContact CB-CZ 3.67Å |
| 223 | D | 93.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -69.8 | -10.7 | 174 | 77.2 | -52.3 | 0 | 0 | 0 | 114.6 | K221 V225 S257 L263 Q264 N265 F272 | K221-D223 PolarHBondContact O-N 3.44Å; D223-V225 VanDerWaalsContact C-N 3.33Å; D223-S257 WeakPolarHBondContact CB-OG 3.4Å; D223-S257 PolarHBondContact N-OG 3.03Å; D223-S257 VanDerWaalsContact OD1-CB 3.27Å; D223-S257 WeakPolarHBondContact OD1-CB 3.45Å; D223-S257 PolarHBondContact OD1-OG 2.98Å; D223-L263 HydrophobicContact CB-CB 4.27Å; D223-L263 HydrophobicContact CB-CD2 3.73Å; D223-L263 WeakPolarHBondContact OD2-CA 3.4Å; D223-Q264 PolarHBondContact OD2-N 3.28Å; D223-N265 WeakPolarHBondContact O-CB 3.39Å; D223-N265 PolarHBondContact O-N 3.35Å; D223-F272 HydrophobicContact CB-CE2 4.05Å |
| 224 | Q | 92.8 | Very high | 94 | Very high | 53 Ų | 53 | 40.8 Ų | 40.8 | 25% | 0.248 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -88.6 | -0.7 | -178.2 | -58.2 | -173.2 | 1.9 | 0 | 0 | 113.8 | K221 A222 | K221-Q224 HydrophobicContact CB-CG 4.11Å; K221-Q224 WeakPolarHBondContact O-CB 3.46Å; K221-Q224 PolarHBondContact O-N 2.88Å; K221-Q224 VanDerWaalsContact O-N 3.08Å; A222-Q224 PolarHBondContact O-N 3.2Å |
| 225 | V | 92.9 | Very high | 94 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.03 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -128.1 | 156.9 | -178.7 | -64.2 | 0 | 0 | 0 | 0 | 109.9 | A192 A222 D223 Q229 L230 N265 | A192-V225 HydrophobicContact CB-CG2 4.27Å; A222-V225 WeakPolarHBondContact O-CG2 3.27Å; D223-V225 VanDerWaalsContact C-N 3.33Å; V225-Q229 HydrophobicContact CB-CB 4.14Å; V225-Q229 HydrophobicContact CB-CG 3.97Å; V225-Q229 HydrophobicContact CG1-CG 4.07Å; V225-L230 HydrophobicContact CG2-CB 3.96Å; V225-L230 HydrophobicContact CG2-CD1 4.07Å; V225-N265 PolarHBondContact O-ND2 3.14Å |
| 226 | D | 91.8 | Very high | 93.9 | Very high | 76 Ų | 76 | 44.6 Ų | 44.6 | 41% | 0.406 | 22% | 0.221 | S | C | . | . | trans | -73.9 | 167.1 | 172.5 | 71.6 | 50.5 | 0 | 0 | 0 | 112.1 | Q228 Q229 L230 | D226-Q228 VanDerWaalsContact C-N 3.3Å; D226-Q228 PolarHBondContact O-N 3.25Å; D226-Q228 WeakPolarHBondContact OD1-CA 3.23Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.46Å; D226-Q228 PolarHBondContact OD1-N 3.02Å; D226-Q229 PolarHBondContact O-N 3.27Å; D226-Q229 WeakPolarHBondContact OD1-CB 3.47Å; D226-Q229 PolarHBondContact OD1-N 3.29Å; D226-L230 WeakPolarHBondContact O-CB 3.43Å; D226-L230 PolarHBondContact O-N 3.46Å | ||
| 227 | T | 90.8 | Very high | 93.8 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 28% | 0.276 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.3 | -38.6 | -178 | -57.7 | 0 | 0 | 0 | 0 | 113.1 | M231 E267 N268 | T227-M231 WeakPolarHBondContact O-CG 3.31Å; T227-M231 PolarHBondContact O-N 3.42Å; T227-E267 PolarHBondContact OG1-OE2 3.19Å; T227-N268 PolarHBondContact OG1-ND2 3.26Å |
| 228 | Q | 90.6 | Very high | 93.5 | Very high | 138 Ų | 138 | 44.4 Ų | 44.4 | 65% | 0.645 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -72.4 | -42.8 | -179 | -64.3 | -172.2 | 8.1 | 0 | 0 | 111.5 | D226 L230 M231 R232 | D226-Q228 VanDerWaalsContact C-N 3.3Å; D226-Q228 PolarHBondContact O-N 3.25Å; D226-Q228 WeakPolarHBondContact OD1-CA 3.23Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.46Å; D226-Q228 PolarHBondContact OD1-N 3.02Å; Q228-L230 VanDerWaalsContact C-N 3.32Å; Q228-M231 PolarHBondContact O-N 3Å; Q228-R232 WeakPolarHBondContact O-CG 3.39Å; Q228-R232 PolarHBondContact O-N 2.92Å; Q228-R232 VanDerWaalsContact O-N 3.13Å |
| 229 | Q | 91.9 | Very high | 93.1 | Very high | 77 Ų | 77 | 53 Ų | 53 | 36% | 0.36 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 175.1 | -176.8 | 173.5 | 7.9 | 0 | 0 | 110.5 | V225 D226 M231 R232 V233 | V225-Q229 HydrophobicContact CB-CB 4.14Å; V225-Q229 HydrophobicContact CB-CG 3.97Å; V225-Q229 HydrophobicContact CG1-CG 4.07Å; D226-Q229 PolarHBondContact O-N 3.27Å; D226-Q229 WeakPolarHBondContact OD1-CB 3.47Å; D226-Q229 PolarHBondContact OD1-N 3.29Å; Q229-M231 VanDerWaalsContact C-N 3.34Å; Q229-M231 PolarHBondContact O-N 3.26Å; Q229-R232 WeakPolarHBondContact O-CB 3.14Å; Q229-R232 PolarHBondContact O-N 2.96Å; Q229-R232 VanDerWaalsContact O-N 3.16Å; Q229-V233 HydrophobicContact CG-CG2 4.26Å; Q229-V233 VanDerWaalsContact O-CG2 3.29Å; Q229-V233 WeakPolarHBondContact O-CG2 3.39Å; Q229-V233 PolarHBondContact O-N 2.91Å |
| 230 | L | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57 | -46.2 | 175.6 | -175.4 | 61.1 | 0 | 0 | 0 | 111.8 | L219 A222 V225 D226 Q228 R232 V233 Y234 L255 F272 | L219-L230 HydrophobicContact CD2-CD1 4.22Å; A222-L230 HydrophobicContact CB-CD1 3.79Å; V225-L230 HydrophobicContact CG2-CB 3.96Å; V225-L230 HydrophobicContact CG2-CD1 4.07Å; D226-L230 WeakPolarHBondContact O-CB 3.43Å; D226-L230 PolarHBondContact O-N 3.46Å; Q228-L230 VanDerWaalsContact C-N 3.32Å; L230-R232 VanDerWaalsContact C-N 3.34Å; L230-R232 PolarHBondContact O-N 3.31Å; L230-V233 PolarHBondContact O-N 3.25Å; L230-Y234 VanDerWaalsContact O-CB 3.27Å; L230-Y234 WeakPolarHBondContact O-CB 3.3Å; L230-Y234 PolarHBondContact O-N 2.97Å; L230-L255 HydrophobicContact CD1-CD2 3.89Å; L230-L255 HydrophobicContact CD2-CD2 4.29Å; L230-L255 HydrophobicContact CG-CD2 4.15Å; L230-F272 HydrophobicContact CD2-CE1 3.88Å; L230-F272 HydrophobicContact CD2-CZ 4.14Å |
| 231 | M | 92.6 | Very high | 92.5 | Very high | 95 Ų | 95 | 54.7 Ų | 54.7 | 47% | 0.468 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 177.4 | -66.8 | -57.1 | 95.4 | 0 | 0 | 112.7 | T227 Q228 Q229 G235 | T227-M231 WeakPolarHBondContact O-CG 3.31Å; T227-M231 PolarHBondContact O-N 3.42Å; Q228-M231 PolarHBondContact O-N 3Å; Q229-M231 VanDerWaalsContact C-N 3.34Å; Q229-M231 PolarHBondContact O-N 3.26Å; M231-G235 PolarHBondContact O-N 3.39Å |
| 232 | R | 93.5 | Very high | 92.2 | Very high | 184 Ų | 184 | 55.5 Ų | 55.5 | 69% | 0.694 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.6 | -45.8 | 175.3 | -69.9 | 175.6 | -176.8 | 174.3 | 4.4 | 111.7 | Q228 Q229 L230 G235 A236 | Q228-R232 WeakPolarHBondContact O-CG 3.39Å; Q228-R232 PolarHBondContact O-N 2.92Å; Q228-R232 VanDerWaalsContact O-N 3.13Å; Q229-R232 WeakPolarHBondContact O-CB 3.14Å; Q229-R232 PolarHBondContact O-N 2.96Å; Q229-R232 VanDerWaalsContact O-N 3.16Å; L230-R232 VanDerWaalsContact C-N 3.34Å; L230-R232 PolarHBondContact O-N 3.31Å; R232-G235 PolarHBondContact O-N 3.35Å; R232-A236 WeakPolarHBondContact O-CB 3.27Å; R232-A236 PolarHBondContact O-N 2.89Å |
| 233 | V | 94.1 | Very high | 91.8 | Very high | 18 Ų | 18 | 62.1 Ų | 62.1 | 11% | 0.109 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 178.4 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | A192 L195 L219 Q229 L230 G235 A236 L237 | A192-V233 WeakPolarHBondContact O-CG2 3.35Å; L195-V233 HydrophobicContact CB-CG1 4.01Å; L195-V233 HydrophobicContact CD1-CG1 4.45Å; L195-V233 HydrophobicContact CD2-CG1 4.07Å; L195-V233 WeakPolarHBondContact CD2-O 3.38Å; L195-V233 HydrophobicContact CG-CG1 4.4Å; L219-V233 HydrophobicContact CD1-CG1 4.17Å; L219-V233 HydrophobicContact CD2-CG1 4.15Å; Q229-V233 HydrophobicContact CG-CG2 4.26Å; Q229-V233 VanDerWaalsContact O-CG2 3.29Å; Q229-V233 WeakPolarHBondContact O-CG2 3.39Å; Q229-V233 PolarHBondContact O-N 2.91Å; L230-V233 PolarHBondContact O-N 3.25Å; V233-G235 PolarHBondContact O-N 3.13Å; V233-A236 PolarHBondContact O-N 3.37Å; V233-L237 WeakPolarHBondContact O-CB 3.45Å; V233-L237 PolarHBondContact O-N 3.37Å |
| 234 | Y | 93.7 | Very high | 91.5 | Very high | 77 Ų | 77 | 63 Ų | 63 | 30% | 0.302 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.8 | -48.3 | 175.4 | 178.7 | -102.7 | 0 | 0 | 0 | 112.1 | L230 A236 L237 M238 V253 L255 | L230-Y234 VanDerWaalsContact O-CB 3.27Å; L230-Y234 WeakPolarHBondContact O-CB 3.3Å; L230-Y234 PolarHBondContact O-N 2.97Å; Y234-A236 PolarHBondContact O-N 3.18Å; Y234-L237 PolarHBondContact O-N 2.88Å; Y234-M238 HydrophobicContact CE1-CG 4.14Å; Y234-M238 HydrophobicContact CE2-CG 4.18Å; Y234-M238 WeakPolarHBondContact O-CG 3.38Å; Y234-M238 PolarHBondContact O-N 2.82Å; Y234-V253 HydrophobicContact CD2-CG1 4.21Å; Y234-V253 HydrophobicContact CE2-CB 3.83Å; Y234-V253 HydrophobicContact CE2-CG1 3.88Å; Y234-V253 HydrophobicContact CE2-CG2 4.1Å; Y234-L255 HydrophobicContact CD2-CD2 4.09Å; Y234-L255 HydrophobicContact CE2-CD1 4.48Å |
| 235 | G | 92.6 | Very high | 91.2 | Very high | 38 Ų | 38 | 61.5 Ų | 61.5 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M231 R232 V233 M238 W239 | M231-G235 PolarHBondContact O-N 3.39Å; R232-G235 PolarHBondContact O-N 3.35Å; V233-G235 PolarHBondContact O-N 3.13Å; G235-M238 PolarHBondContact O-N 2.89Å; G235-W239 WeakPolarHBondContact O-CB 3.45Å; G235-W239 PolarHBondContact O-N 3.44Å |
| 236 | A | 92.8 | Very high | 90.6 | Very high | 45 Ų | 45 | 68 Ų | 68 | 37% | 0.372 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L195 R232 V233 Y234 S240 | L195-A236 HydrophobicContact CD2-CB 3.7Å; R232-A236 WeakPolarHBondContact O-CB 3.27Å; R232-A236 PolarHBondContact O-N 2.89Å; V233-A236 PolarHBondContact O-N 3.37Å; Y234-A236 PolarHBondContact O-N 3.18Å; A236-S240 WeakPolarHBondContact O-CB 3.14Å; A236-S240 PolarHBondContact O-N 2.88Å; A236-S240 PolarHBondContact O-OG 3.19Å |
| 237 | L | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63 | -50.7 | 175.8 | 172.6 | 62.7 | 0 | 0 | 0 | 110.7 | F190 L195 I197 V217 L219 V233 Y234 W239 S240 L241 V253 | F190-L237 HydrophobicContact CB-CD1 4.48Å; F190-L237 HydrophobicContact CD1-CD1 3.64Å; F190-L237 HydrophobicContact CD2-CD1 3.82Å; F190-L237 HydrophobicContact CD2-CD2 4.37Å; F190-L237 HydrophobicContact CE1-CD1 3.69Å; F190-L237 HydrophobicContact CE2-CD1 3.87Å; F190-L237 HydrophobicContact CG-CD1 3.7Å; F190-L237 HydrophobicContact CG-CD2 4.43Å; F190-L237 HydrophobicContact CZ-CD1 3.82Å; L195-L237 HydrophobicContact CD1-CB 3.94Å; L195-L237 HydrophobicContact CD1-CD1 3.89Å; L195-L237 HydrophobicContact CD1-CG 4.36Å; L195-L237 HydrophobicContact CD2-CB 4Å; I197-L237 HydrophobicContact CD1-CD1 4.29Å; V217-L237 HydrophobicContact CG1-CD2 3.96Å; L219-L237 HydrophobicContact CB-CD2 4.34Å; L219-L237 HydrophobicContact CD1-CD2 4.23Å; L219-L237 HydrophobicContact CD2-CD2 4.39Å; V233-L237 WeakPolarHBondContact O-CB 3.45Å; V233-L237 PolarHBondContact O-N 3.37Å; Y234-L237 PolarHBondContact O-N 2.88Å; L237-W239 VanDerWaalsContact C-N 3.33Å; L237-W239 PolarHBondContact O-N 3.5Å; L237-S240 PolarHBondContact O-N 3.37Å; L237-S240 VanDerWaalsContact O-N 3.14Å; L237-L241 HydrophobicContact CD1-CD1 3.76Å; L237-L241 HydrophobicContact CD1-CD2 4.5Å; L237-L241 HydrophobicContact CD1-CG 3.85Å; L237-L241 HydrophobicContact CG-CD1 3.91Å; L237-L241 HydrophobicContact CG-CG 4.35Å; L237-L241 WeakPolarHBondContact O-CB 3.2Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.18Å; L237-V253 HydrophobicContact CD2-CG1 4.26Å |
| 238 | M | 91.6 | Very high | 89.6 | Confident | 44 Ų | 44 | 70.6 Ų | 70.6 | 22% | 0.217 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | -179.7 | -69.7 | -54.7 | -74 | 0 | 0 | 112.2 | Y234 G235 S240 G242 V250 V253 | Y234-M238 HydrophobicContact CE1-CG 4.14Å; Y234-M238 HydrophobicContact CE2-CG 4.18Å; Y234-M238 WeakPolarHBondContact O-CG 3.38Å; Y234-M238 PolarHBondContact O-N 2.82Å; G235-M238 PolarHBondContact O-N 2.89Å; M238-S240 VanDerWaalsContact C-N 3.31Å; M238-S240 PolarHBondContact O-N 3.4Å; M238-G242 PolarHBondContact O-N 3.43Å; M238-V250 HydrophobicContact CE-CG1 3.25Å; M238-V253 HydrophobicContact CE-CG2 4.49Å; M238-V253 HydrophobicContact SD-CG2 3.38Å; M238-V253 WeakPolarHBondContact SD-CG2 3.26Å |
| 239 | W | 89.8 | Confident | 89.3 | Confident | 180 Ų | 180 | 70.7 Ų | 70.7 | 68% | 0.682 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.9 | -43.2 | 174.3 | 178.9 | -101.5 | 0 | 0 | 0 | 112.4 | G235 L237 K243 | G235-W239 WeakPolarHBondContact O-CB 3.45Å; G235-W239 PolarHBondContact O-N 3.44Å; L237-W239 VanDerWaalsContact C-N 3.33Å; L237-W239 PolarHBondContact O-N 3.5Å; W239-K243 VanDerWaalsContact NE1-CE 3.31Å; W239-K243 PolarHBondContact O-N 3.34Å |
| 240 | S | 90.2 | Very high | 89.1 | Confident | 37 Ų | 37 | 72.8 Ų | 72.8 | 26% | 0.259 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.1 | -42.5 | -178 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | I197 A236 L237 M238 G242 K243 V244 | I197-S240 VanDerWaalsContact CD1-CB 3.46Å; A236-S240 WeakPolarHBondContact O-CB 3.14Å; A236-S240 PolarHBondContact O-N 2.88Å; A236-S240 PolarHBondContact O-OG 3.19Å; L237-S240 PolarHBondContact O-N 3.37Å; L237-S240 VanDerWaalsContact O-N 3.14Å; M238-S240 VanDerWaalsContact C-N 3.31Å; M238-S240 PolarHBondContact O-N 3.4Å; S240-G242 PolarHBondContact O-N 3.28Å; S240-K243 PolarHBondContact O-N 3.11Å; S240-V244 WeakPolarHBondContact O-CG2 3.32Å; S240-V244 PolarHBondContact O-N 3.09Å |
| 241 | L | 90.4 | Very high | 88.9 | Confident | 6 Ų | 6 | 73.9 Ų | 73.9 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 175.2 | -73.7 | 177.9 | 0 | 0 | 0 | 112.3 | F190 I197 I205 V217 L237 K243 V244 I245 | F190-L241 HydrophobicContact CE2-CD2 4.33Å; F190-L241 HydrophobicContact CZ-CD2 3.9Å; I197-L241 HydrophobicContact CD1-CD2 4.33Å; I205-L241 HydrophobicContact CD1-CD2 4.21Å; V217-L241 HydrophobicContact CB-CD1 4.45Å; V217-L241 HydrophobicContact CG1-CD1 4.08Å; V217-L241 HydrophobicContact CG2-CD1 3.73Å; L237-L241 HydrophobicContact CD1-CD1 3.76Å; L237-L241 HydrophobicContact CD1-CD2 4.5Å; L237-L241 HydrophobicContact CD1-CG 3.85Å; L237-L241 HydrophobicContact CG-CD1 3.91Å; L237-L241 HydrophobicContact CG-CG 4.35Å; L237-L241 WeakPolarHBondContact O-CB 3.2Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.18Å; L241-K243 PolarHBondContact O-N 3.47Å; L241-V244 PolarHBondContact O-N 2.73Å; L241-I245 HydrophobicContact CB-CD1 4.46Å; L241-I245 HydrophobicContact CD2-CD1 4.25Å; L241-I245 PolarHBondContact O-N 3Å |
| 242 | G | 87.9 | Confident | 89 | Confident | 47 Ų | 47 | 73.6 Ų | 73.6 | 49% | 0.485 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.8 | -37.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M238 S240 N246 | M238-G242 PolarHBondContact O-N 3.43Å; S240-G242 PolarHBondContact O-N 3.28Å; G242-N246 PolarHBondContact O-N 3Å |
| 243 | K | 86.6 | Confident | 89.1 | Confident | 140 Ų | 140 | 65 Ų | 65 | 61% | 0.609 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -71.3 | -31.7 | 175.7 | -68 | 180 | 178 | -175.5 | 0 | 113.7 | W239 S240 L241 | W239-K243 VanDerWaalsContact NE1-CE 3.31Å; W239-K243 PolarHBondContact O-N 3.34Å; S240-K243 PolarHBondContact O-N 3.11Å; L241-K243 PolarHBondContact O-N 3.47Å |
| 244 | V | 88.4 | Confident | 89.3 | Confident | 19 Ų | 19 | 64.7 Ų | 64.7 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -90.1 | -47.5 | -171.9 | 178 | 0 | 0 | 0 | 0 | 111.9 | I205 K206 S240 L241 | I205-V244 HydrophobicContact CB-CG1 3.78Å; I205-V244 HydrophobicContact CD1-CG1 4.31Å; I205-V244 HydrophobicContact CG2-CG1 3.69Å; K206-V244 HydrophobicContact CG-CG1 4.24Å; S240-V244 WeakPolarHBondContact O-CG2 3.32Å; S240-V244 PolarHBondContact O-N 3.09Å; L241-V244 PolarHBondContact O-N 2.73Å |
| 245 | I | 86.3 | Confident | 89.4 | Confident | 21 Ų | 21 | 61.6 Ų | 61.6 | 11% | 0.108 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -74.7 | -33.7 | -178.1 | -57.5 | -179.2 | 0 | 0 | 0 | 110.3 | I205 D212 L241 T247 V251 | I205-I245 HydrophobicContact CG2-CD1 4.4Å; I205-I245 HydrophobicContact CG2-CG1 3.72Å; D212-I245 WeakPolarHBondContact OD1-CG2 3.41Å; L241-I245 HydrophobicContact CB-CD1 4.46Å; L241-I245 HydrophobicContact CD2-CD1 4.25Å; L241-I245 PolarHBondContact O-N 3Å; I245-T247 VanDerWaalsContact C-N 3.26Å; I245-T247 HydrophobicContact CB-CG2 4.41Å; I245-T247 HydrophobicContact CG2-CG2 3.47Å; I245-T247 VanDerWaalsContact CG2-CG2 3.47Å; I245-T247 PolarHBondContact O-N 3.35Å; I245-V251 HydrophobicContact CD1-CG2 3.67Å |
| 246 | N | 79.9 | Confident | 89.5 | Confident | 141 Ų | 141 | 59.9 Ų | 59.9 | 75% | 0.754 | 32% | 0.322 | S | S | * | . | trans | 52 | 43.9 | 174.4 | -167.3 | 46.8 | 0 | 0 | 0 | 113.2 | G242 | G242-N246 PolarHBondContact O-N 3Š| ||
| 247 | T | 80.9 | Confident | 89.5 | Confident | 44 Ų | 44 | 58.5 Ų | 58.5 | 27% | 0.27 | 31% | 0.309 | S | S | . | . | trans | -116.4 | 144.9 | 171.1 | -178 | 0 | 0 | 0 | 0 | 108.9 | I245 E249 | I245-T247 VanDerWaalsContact C-N 3.26Å; I245-T247 HydrophobicContact CB-CG2 4.41Å; I245-T247 HydrophobicContact CG2-CG2 3.47Å; I245-T247 VanDerWaalsContact CG2-CG2 3.47Å; I245-T247 PolarHBondContact O-N 3.35Å; T247-E249 HydrophobicContact CG2-CB 4.41Å; T247-E249 WeakPolarHBondContact CG2-O 3.39Å; T247-E249 PolarHBondContact O-N 2.94Å; T247-E249 PolarHBondContact OG1-N 3.34Å | ||
| 248 | P | 80.9 | Confident | 89.6 | Confident | 131 Ų | 131 | 58.6 Ų | 58.6 | 85% | 0.851 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -66.6 | -17.3 | 174.8 | 27.9 | -36.2 | 0 | 0 | 0 | 113 | ||
| 249 | E | 84.5 | Confident | 89.4 | Confident | 141 Ų | 141 | 58.9 Ų | 58.9 | 66% | 0.659 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -80.9 | 129.8 | -179.2 | -63.8 | -178.5 | -177.7 | 0 | 0 | 111.6 | T247 V251 | T247-E249 HydrophobicContact CG2-CB 4.41Å; T247-E249 WeakPolarHBondContact CG2-O 3.39Å; T247-E249 PolarHBondContact O-N 2.94Å; T247-E249 PolarHBondContact OG1-N 3.34Å; E249-V251 PolarHBondContact O-N 2.9Å |
| 250 | V | 86.8 | Confident | 89.1 | Confident | 121 Ų | 121 | 55.1 Ų | 55.1 | 73% | 0.733 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 124 | 179.3 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | M238 | M238-V250 HydrophobicContact CE-CG1 3.25Š|
| 251 | V | 90.4 | Very high | 89 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 136 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | I215 V217 I245 E249 V253 | I215-V251 HydrophobicContact CG2-CG1 4Å; V217-V251 HydrophobicContact CB-CG1 4.48Å; V217-V251 HydrophobicContact CG2-CB 4.49Å; V217-V251 HydrophobicContact CG2-CG1 3.64Å; I245-V251 HydrophobicContact CD1-CG2 3.67Å; E249-V251 PolarHBondContact O-N 2.9Å; V251-V253 PolarHBondContact O-N 2.93Å |
| 252 | R | 94.3 | Very high | 88.7 | Confident | 90 Ų | 90 | 65 Ų | 65 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 123 | 173.6 | -179.7 | 63.2 | 169.6 | 119.7 | -5.8 | 110.3 | V217 Y254 E275 D278 | V217-R252 PolarHBondContact N-O 2.78Å; R252-Y254 HydrophobicContact CG-CD1 4.48Å; R252-Y254 HydrophobicContact CG-CE1 3.89Å; R252-Y254 HydrophobicContact CG-CE2 3.97Å; R252-E275 IonicContact CZ-OE1 3.85Å; R252-E275 IonicContact CZ-OE2 3.07Å; R252-E275 VanDerWaalsContact NH1-CD 3.34Å; R252-E275 IonicContact NH1-OE1 2.95Å; R252-E275 PolarHBondContact NH1-OE1 3.05Å; R252-E275 IonicContact NH1-OE2 3.84Å; R252-E275 PolarHBondContact NH1-OE2 2.89Å; R252-E275 VanDerWaalsContact NH2-CD 3.3Å; R252-E275 IonicContact NH2-OE1 2.79Å; R252-E275 PolarHBondContact NH2-OE1 3.37Å; R252-E275 IonicContact NH2-OE2 3.75Å; R252-E275 PolarHBondContact NH2-OE2 3.22Å; R252-D278 IonicContact NH2-OD2 3.48Å; R252-D278 PolarHBondContact NH2-OD2 2.87Å |
| 253 | V | 96.5 | Very high | 88.7 | Confident | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130.8 | 173.2 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | V217 L219 Y234 L237 M238 V251 | V217-V253 HydrophobicContact CB-CB 4.33Å; V217-V253 HydrophobicContact CB-CG1 4.47Å; V217-V253 HydrophobicContact CB-CG2 3.91Å; V217-V253 HydrophobicContact CG1-CB 4.39Å; V217-V253 HydrophobicContact CG1-CG1 4.06Å; V217-V253 HydrophobicContact CG1-CG2 3.94Å; V217-V253 CarbonylContact O-C 3.56Å; V217-V253 VanDerWaalsContact O-CA 3.28Å; V217-V253 WeakPolarHBondContact O-CA 3.43Å; L219-V253 HydrophobicContact CB-CG1 4.07Å; Y234-V253 HydrophobicContact CD2-CG1 4.21Å; Y234-V253 HydrophobicContact CE2-CB 3.83Å; Y234-V253 HydrophobicContact CE2-CG1 3.88Å; Y234-V253 HydrophobicContact CE2-CG2 4.1Å; L237-V253 HydrophobicContact CD2-CG1 4.26Å; M238-V253 HydrophobicContact CE-CG2 4.49Å; M238-V253 HydrophobicContact SD-CG2 3.38Å; M238-V253 WeakPolarHBondContact SD-CG2 3.26Å; V251-V253 PolarHBondContact O-N 2.93Å |
| 254 | Y | 97.6 | Very high | 88.9 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 5% | 0.047 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.3 | 172.9 | -56.5 | -81.4 | 0 | 0 | 0 | 110.4 | R216 V217 V218 L219 R252 E275 D278 L279 | R216-Y254 HydrophobicContact CB-CD2 4.39Å; R216-Y254 HydrophobicContact CB-CE2 3.86Å; R216-Y254 HydrophobicContact CG-CE2 3.92Å; V217-Y254 WeakPolarHBondContact O-CD2 3.47Å; V217-Y254 PolarHBondContact O-N 2.7Å; V218-Y254 WeakPolarHBondContact CA-O 3.45Å; V218-Y254 HydrophobicContact CG2-CD2 4.39Å; L219-Y254 PolarHBondContact N-O 3.21Å; R252-Y254 HydrophobicContact CG-CD1 4.48Å; R252-Y254 HydrophobicContact CG-CE1 3.89Å; R252-Y254 HydrophobicContact CG-CE2 3.97Å; Y254-E275 VanDerWaalsContact CA-OE2 3.32Å; Y254-E275 WeakPolarHBondContact CA-OE2 3.36Å; Y254-E275 WeakPolarHBondContact CD1-O 3.31Å; Y254-D278 HydrophobicContact CD1-CB 4.16Å; Y254-D278 HydrophobicContact CE1-CB 3.75Å; Y254-L279 HydrophobicContact CD1-CB 3.85Å; Y254-L279 HydrophobicContact CD2-CB 4.16Å; Y254-L279 HydrophobicContact CD2-CD1 3.71Å; Y254-L279 HydrophobicContact CD2-CG 4.35Å; Y254-L279 HydrophobicContact CE1-CB 4.09Å; Y254-L279 HydrophobicContact CE2-CB 4.36Å; Y254-L279 HydrophobicContact CE2-CD1 3.65Å; Y254-L279 HydrophobicContact CG-CB 3.87Å; Y254-L279 HydrophobicContact CG-CD1 4.3Å; Y254-L279 HydrophobicContact CG-CG 4.46Å |
| 255 | L | 95.8 | Very high | 88.7 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 7% | 0.068 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.1 | -179.5 | -61.4 | 118.5 | 0 | 0 | 0 | 111.1 | L219 L230 Y234 F272 E275 | L219-L255 HydrophobicContact CD2-CD2 3.93Å; L230-L255 HydrophobicContact CD1-CD2 3.89Å; L230-L255 HydrophobicContact CD2-CD2 4.29Å; L230-L255 HydrophobicContact CG-CD2 4.15Å; Y234-L255 HydrophobicContact CD2-CD2 4.09Å; Y234-L255 HydrophobicContact CE2-CD1 4.48Å; L255-F272 HydrophobicContact CB-CD1 4.42Å; L255-E275 HydrophobicContact CB-CG 4.33Å; L255-E275 HydrophobicContact CD1-CG 4.47Å; L255-E275 PolarHBondContact N-OE2 2.9Å; L255-E275 WeakPolarHBondContact O-CB 3.45Å |
| 256 | G | 94.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 169.1 | -167 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L219 N220 K221 A222 | L219-G256 PolarHBondContact O-N 2.92Å; L219-G256 VanDerWaalsContact O-N 3.13Å; N220-G256 CarbonylContact C-O 3.4Å; N220-G256 VanDerWaalsContact C-O 3.27Å; N220-G256 VanDerWaalsContact CA-O 3.24Å; N220-G256 WeakPolarHBondContact CA-O 3.5Å; K221-G256 PolarHBondContact N-O 3.47Å; A222-G256 PolarHBondContact N-O 3.1Å; A222-G256 VanDerWaalsContact N-O 3.14Å |
| 257 | S | 93.9 | Very high | 89 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 11% | 0.112 | 37% | 0.372 | C | S | . | . | trans | -133.4 | 98.1 | 177.3 | -65.1 | 0 | 0 | 0 | 0 | 109.2 | K221 A222 D223 W259 | K221-S257 VanDerWaalsContact CA-OG 3.26Å; K221-S257 WeakPolarHBondContact CA-OG 3.08Å; A222-S257 PolarHBondContact N-OG 3.08Å; D223-S257 WeakPolarHBondContact CB-OG 3.4Å; D223-S257 PolarHBondContact N-OG 3.03Å; D223-S257 VanDerWaalsContact OD1-CB 3.27Å; D223-S257 WeakPolarHBondContact OD1-CB 3.45Å; D223-S257 PolarHBondContact OD1-OG 2.98Å; S257-W259 VanDerWaalsContact C-N 3.33Å; S257-W259 PolarHBondContact O-N 3.05Å | ||
| 258 | F | 93.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.009 | 37% | 0.366 | C | S | . | . | trans | -90.5 | 70.4 | -166.4 | -63.4 | -90.2 | 0 | 0 | 0 | 110.8 | F75 Y78 V218 N220 L279 | F75-F258 HydrophobicContact CD2-CB 3.38Å; F75-F258 HydrophobicContact CD2-CD1 4.09Å; F75-F258 HydrophobicContact CD2-CD2 4.27Å; F75-F258 AromaticContact CD2-CG 3.66Å; F75-F258 HydrophobicContact CD2-CG 3.66Å; F75-F258 HydrophobicContact CE2-CB 3.79Å; F75-F258 AromaticContact CE2-CD1 3.55Å; F75-F258 HydrophobicContact CE2-CD1 3.55Å; F75-F258 HydrophobicContact CE2-CD2 4.17Å; F75-F258 HydrophobicContact CE2-CE1 4.16Å; F75-F258 AromaticContact CE2-CG 3.55Å; F75-F258 HydrophobicContact CE2-CG 3.55Å; F75-F258 HydrophobicContact CG-CB 4.48Å; Y78-F258 HydrophobicContact CD1-CB 3.81Å; Y78-F258 HydrophobicContact CD1-CD1 4.35Å; Y78-F258 HydrophobicContact CE1-CB 4.05Å; Y78-F258 AromaticContact CE1-CD1 3.98Å; Y78-F258 HydrophobicContact CE1-CD1 3.98Å; V218-F258 HydrophobicContact CG1-CD2 3.62Å; V218-F258 HydrophobicContact CG1-CE2 3.34Å; V218-F258 HydrophobicContact CG1-CZ 4.13Å; N220-F258 PolarHBondContact OD1-N 3.24Å; N220-F258 VanDerWaalsContact OD1-N 3.11Å; F258-L279 HydrophobicContact CD1-CD2 4.29Å; F258-L279 HydrophobicContact CE1-CD2 3.56Å; F258-L279 HydrophobicContact CZ-CD2 3.8Å | ||
| 259 | W | 87.5 | Confident | 89.3 | Confident | 51 Ų | 51 | 67.4 Ų | 67.4 | 19% | 0.193 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -153.4 | 162 | 178.3 | 61.2 | 0.8 | 0 | 0 | 0 | 110.8 | T74 S257 K261 | T74-W259 HydrophobicContact CG2-CB 3.94Å; S257-W259 VanDerWaalsContact C-N 3.33Å; S257-W259 PolarHBondContact O-N 3.05Å; W259-K261 HydrophobicContact CD2-CB 3.98Å; W259-K261 HydrophobicContact CD2-CD 4.21Å; W259-K261 HydrophobicContact CD2-CG 4.27Å; W259-K261 HydrophobicContact CE3-CD 3.96Å; W259-K261 HydrophobicContact CE3-CG 4.45Å; W259-K261 HydrophobicContact CG-CB 4.14Å; W259-K261 HydrophobicContact CH2-CD 4.28Å; W259-K261 HydrophobicContact CZ2-CB 4.36Å; W259-K261 HydrophobicContact CZ3-CD 4.01Å; W259-K261 PolarHBondContact O-N 3.2Å |
| 260 | A | 84.7 | Confident | 89.2 | Confident | 101 Ų | 101 | 68.5 Ų | 68.5 | 84% | 0.835 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -82.2 | 15.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 261 | K | 87.6 | Confident | 89.2 | Confident | 135 Ų | 135 | 65.7 Ų | 65.7 | 59% | 0.587 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -92.3 | 152.8 | -179 | -69.1 | -172.4 | 179 | -176.6 | 0 | 111.2 | W259 | W259-K261 HydrophobicContact CD2-CB 3.98Å; W259-K261 HydrophobicContact CD2-CD 4.21Å; W259-K261 HydrophobicContact CD2-CG 4.27Å; W259-K261 HydrophobicContact CE3-CD 3.96Å; W259-K261 HydrophobicContact CE3-CG 4.45Å; W259-K261 HydrophobicContact CG-CB 4.14Å; W259-K261 HydrophobicContact CH2-CD 4.28Å; W259-K261 HydrophobicContact CZ2-CB 4.36Å; W259-K261 HydrophobicContact CZ3-CD 4.01Å; W259-K261 PolarHBondContact O-N 3.2Å |
| 262 | P | 84.4 | Confident | 89.1 | Confident | 116 Ų | 116 | 65.1 Ų | 65.1 | 75% | 0.753 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 145.7 | 172.3 | -22.9 | 33.3 | 0 | 0 | 0 | 112.2 | ||
| 263 | L | 88.1 | Confident | 88.7 | Confident | 48 Ų | 48 | 65 Ų | 65 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 135.1 | 173.8 | -61.5 | 175.8 | 0 | 0 | 0 | 110.3 | D223 T266 R269 F272 | D223-L263 HydrophobicContact CB-CB 4.27Å; D223-L263 HydrophobicContact CB-CD2 3.73Å; D223-L263 WeakPolarHBondContact OD2-CA 3.4Å; L263-T266 HydrophobicContact CB-CG2 4.16Å; L263-R269 HydrophobicContact CD1-CB 4Å; L263-R269 HydrophobicContact CD1-CG 3.81Å; L263-F272 HydrophobicContact CD1-CD2 4.45Å; L263-F272 HydrophobicContact CD2-CD2 4.39Å |
| 264 | Q | 89.5 | Confident | 88 | Confident | 133 Ų | 133 | 65.7 Ų | 65.7 | 62% | 0.621 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -75.3 | -45.3 | 173 | -63.5 | -177.6 | 26.2 | 0 | 0 | 111.4 | D223 | D223-Q264 PolarHBondContact OD2-N 3.28Š|
| 265 | N | 85.3 | Confident | 87.8 | Confident | 32 Ų | 32 | 66 Ų | 66 | 17% | 0.171 | 34% | 0.335 | C | S | . | . | trans | -113.4 | 122.4 | 172.1 | -171.6 | -14.7 | 0 | 0 | 0 | 110.6 | D223 V225 E267 | D223-N265 WeakPolarHBondContact O-CB 3.39Å; D223-N265 PolarHBondContact O-N 3.35Å; V225-N265 PolarHBondContact O-ND2 3.14Å; N265-E267 VanDerWaalsContact OD1-CB 3.3Å; N265-E267 WeakPolarHBondContact OD1-CB 3.49Å; N265-E267 VanDerWaalsContact OD1-CG 3.24Å; N265-E267 WeakPolarHBondContact OD1-CG 3.36Å; N265-E267 PolarHBondContact OD1-N 3.09Å | ||
| 266 | T | 87.8 | Confident | 87.5 | Confident | 87 Ų | 87 | 66.1 Ų | 66.1 | 53% | 0.534 | 34% | 0.337 | S | S | . | . | trans | -98 | -3.1 | -178.5 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | L263 N268 R269 | L263-T266 HydrophobicContact CB-CG2 4.16Å; T266-N268 PolarHBondContact O-N 2.86Å; T266-R269 VanDerWaalsContact O-CB 3.27Å; T266-R269 WeakPolarHBondContact O-CB 3.47Å; T266-R269 PolarHBondContact O-N 2.86Å; T266-R269 VanDerWaalsContact O-N 3.1Å | ||
| 267 | E | 84 | Confident | 87.2 | Confident | 132 Ų | 132 | 67.3 Ų | 67.3 | 62% | 0.617 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -41.6 | -178.5 | -74 | 178 | 170.2 | 0 | 0 | 112.3 | T227 N265 | T227-E267 PolarHBondContact OG1-OE2 3.19Å; N265-E267 VanDerWaalsContact OD1-CB 3.3Å; N265-E267 WeakPolarHBondContact OD1-CB 3.49Å; N265-E267 VanDerWaalsContact OD1-CG 3.24Å; N265-E267 WeakPolarHBondContact OD1-CG 3.36Å; N265-E267 PolarHBondContact OD1-N 3.09Å |
| 268 | N | 86.1 | Confident | 87.1 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 15% | 0.15 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 19.6 | -177.2 | -63.4 | -61.2 | 0 | 0 | 0 | 113.3 | T227 T266 R270 L271 F272 | T227-N268 PolarHBondContact OG1-ND2 3.26Å; T266-N268 PolarHBondContact O-N 2.86Å; N268-R270 VanDerWaalsContact C-N 3.32Å; N268-R270 PolarHBondContact O-N 3.29Å; N268-L271 HydrophobicContact CB-CB 4.44Å; N268-L271 WeakPolarHBondContact O-CB 3.49Å; N268-L271 PolarHBondContact O-N 2.88Å; N268-F272 HydrophobicContact CB-CD1 4.43Å; N268-F272 HydrophobicContact CB-CD2 4.47Å; N268-F272 HydrophobicContact CB-CE1 3.86Å; N268-F272 HydrophobicContact CB-CE2 3.91Å; N268-F272 HydrophobicContact CB-CZ 3.58Å; N268-F272 WeakPolarHBondContact O-CG 3.49Å; N268-F272 PolarHBondContact O-N 2.98Å |
| 269 | R | 83.4 | Confident | 87.1 | Confident | 132 Ų | 132 | 68.8 Ų | 68.8 | 50% | 0.498 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -51 | -48.3 | -175.6 | 178.1 | 174.4 | -167.7 | 163.6 | 7.4 | 113.1 | L263 T266 L271 F272 E273 | L263-R269 HydrophobicContact CD1-CB 4Å; L263-R269 HydrophobicContact CD1-CG 3.81Å; T266-R269 VanDerWaalsContact O-CB 3.27Å; T266-R269 WeakPolarHBondContact O-CB 3.47Å; T266-R269 PolarHBondContact O-N 2.86Å; T266-R269 VanDerWaalsContact O-N 3.1Å; R269-L271 VanDerWaalsContact C-N 3.28Å; R269-L271 PolarHBondContact O-N 3.4Å; R269-F272 PolarHBondContact O-N 3.08Å; R269-F272 VanDerWaalsContact O-N 3.15Å; R269-E273 HydrophobicContact CG-CG 4.41Å; R269-E273 VanDerWaalsContact CG-OE1 3.23Å; R269-E273 WeakPolarHBondContact CG-OE1 3.45Å; R269-E273 IonicContact CZ-OE1 2.62Å; R269-E273 IonicContact NE-OE1 3.19Å; R269-E273 PolarHBondContact NE-OE1 2.9Å; R269-E273 IonicContact NH2-OE1 2.85Å; R269-E273 WeakPolarHBondContact O-CG 3.43Å; R269-E273 PolarHBondContact O-N 2.95Å |
| 270 | R | 81.5 | Confident | 87.4 | Confident | 165 Ų | 165 | 66.8 Ų | 66.8 | 62% | 0.623 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.5 | -39 | 179.7 | -65.1 | -176.6 | -176 | -173 | -2.1 | 112.5 | N268 A274 E429 | N268-R270 VanDerWaalsContact C-N 3.32Å; N268-R270 PolarHBondContact O-N 3.29Å; R270-A274 WeakPolarHBondContact O-CB 3.48Å; R270-A274 PolarHBondContact O-N 3.41Å; R270-A274 VanDerWaalsContact O-N 3.08Å; R270-E429 IonicContact CZ-OE1 3.85Å; R270-E429 IonicContact CZ-OE2 3.98Å; R270-E429 IonicContact NE-OE1 3.88Å; R270-E429 IonicContact NH1-OE1 2.76Å; R270-E429 PolarHBondContact NH1-OE1 3.28Å; R270-E429 IonicContact NH1-OE2 3.53Å; R270-E429 IonicContact NH2-OE1 3.46Å; R270-E429 PolarHBondContact NH2-OE1 3.5Å |
| 271 | L | 86.1 | Confident | 87.6 | Confident | 61 Ų | 61 | 67.1 Ų | 67.1 | 32% | 0.319 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65 | -49.4 | 175.9 | 175.9 | 65.3 | 0 | 0 | 0 | 110.1 | N268 R269 E273 A274 E275 | N268-L271 HydrophobicContact CB-CB 4.44Å; N268-L271 WeakPolarHBondContact O-CB 3.49Å; N268-L271 PolarHBondContact O-N 2.88Å; R269-L271 VanDerWaalsContact C-N 3.28Å; R269-L271 PolarHBondContact O-N 3.4Å; L271-E273 VanDerWaalsContact C-N 3.33Å; L271-E273 PolarHBondContact O-N 2.99Å; L271-A274 PolarHBondContact O-N 3.37Å; L271-E275 HydrophobicContact CD1-CG 3.85Å; L271-E275 HydrophobicContact CG-CG 4.22Å; L271-E275 WeakPolarHBondContact O-CB 3.33Å; L271-E275 WeakPolarHBondContact O-CG 3.5Å; L271-E275 PolarHBondContact O-N 3.46Å |
| 272 | F | 89.7 | Confident | 87.9 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 5% | 0.048 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.9 | -40.7 | -179.2 | -57 | -29 | 0 | 0 | 0 | 112.8 | A222 D223 L230 L255 L263 N268 R269 S276 | A222-F272 HydrophobicContact CB-CD1 4.19Å; A222-F272 HydrophobicContact CB-CE1 3.44Å; A222-F272 VanDerWaalsContact CB-CE1 3.44Å; A222-F272 HydrophobicContact CB-CZ 3.67Å; D223-F272 HydrophobicContact CB-CE2 4.05Å; L230-F272 HydrophobicContact CD2-CE1 3.88Å; L230-F272 HydrophobicContact CD2-CZ 4.14Å; L255-F272 HydrophobicContact CB-CD1 4.42Å; L263-F272 HydrophobicContact CD1-CD2 4.45Å; L263-F272 HydrophobicContact CD2-CD2 4.39Å; N268-F272 HydrophobicContact CB-CD1 4.43Å; N268-F272 HydrophobicContact CB-CD2 4.47Å; N268-F272 HydrophobicContact CB-CE1 3.86Å; N268-F272 HydrophobicContact CB-CE2 3.91Å; N268-F272 HydrophobicContact CB-CZ 3.58Å; N268-F272 WeakPolarHBondContact O-CG 3.49Å; N268-F272 PolarHBondContact O-N 2.98Å; R269-F272 PolarHBondContact O-N 3.08Å; R269-F272 VanDerWaalsContact O-N 3.15Å; F272-S276 VanDerWaalsContact O-CB 3.3Å; F272-S276 WeakPolarHBondContact O-CB 3.27Å; F272-S276 PolarHBondContact O-N 3.31Å |
| 273 | E | 84.3 | Confident | 88.3 | Confident | 86 Ų | 86 | 56.3 Ų | 56.3 | 40% | 0.402 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 176.7 | -72.5 | 167.4 | 179.2 | 0 | 0 | 111.4 | R269 L271 E275 S276 Q277 | R269-E273 HydrophobicContact CG-CG 4.41Å; R269-E273 VanDerWaalsContact CG-OE1 3.23Å; R269-E273 WeakPolarHBondContact CG-OE1 3.45Å; R269-E273 IonicContact CZ-OE1 2.62Å; R269-E273 IonicContact NE-OE1 3.19Å; R269-E273 PolarHBondContact NE-OE1 2.9Å; R269-E273 IonicContact NH2-OE1 2.85Å; R269-E273 WeakPolarHBondContact O-CG 3.43Å; R269-E273 PolarHBondContact O-N 2.95Å; L271-E273 VanDerWaalsContact C-N 3.33Å; L271-E273 PolarHBondContact O-N 2.99Å; E273-E275 PolarHBondContact O-N 2.85Å; E273-S276 PolarHBondContact O-N 3.04Å; E273-Q277 WeakPolarHBondContact O-CG 3.49Å; E273-Q277 PolarHBondContact O-N 3.5Å |
| 274 | A | 83.2 | Confident | 88.5 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 15% | 0.149 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R270 L271 Q277 D278 | R270-A274 WeakPolarHBondContact O-CB 3.48Å; R270-A274 PolarHBondContact O-N 3.41Å; R270-A274 VanDerWaalsContact O-N 3.08Å; L271-A274 PolarHBondContact O-N 3.37Å; A274-Q277 PolarHBondContact O-N 3.25Å; A274-D278 PolarHBondContact O-N 2.8Å |
| 275 | E | 92.3 | Very high | 88.5 | Confident | 19 Ų | 19 | 50 Ų | 50 | 9% | 0.089 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.1 | -36.4 | 178.1 | -68 | -72.7 | 121 | 0 | 0 | 112.1 | R252 Y254 L255 L271 E273 D278 L279 | R252-E275 IonicContact CZ-OE1 3.85Å; R252-E275 IonicContact CZ-OE2 3.07Å; R252-E275 VanDerWaalsContact NH1-CD 3.34Å; R252-E275 IonicContact NH1-OE1 2.95Å; R252-E275 PolarHBondContact NH1-OE1 3.05Å; R252-E275 IonicContact NH1-OE2 3.84Å; R252-E275 PolarHBondContact NH1-OE2 2.89Å; R252-E275 VanDerWaalsContact NH2-CD 3.3Å; R252-E275 IonicContact NH2-OE1 2.79Å; R252-E275 PolarHBondContact NH2-OE1 3.37Å; R252-E275 IonicContact NH2-OE2 3.75Å; R252-E275 PolarHBondContact NH2-OE2 3.22Å; Y254-E275 VanDerWaalsContact CA-OE2 3.32Å; Y254-E275 WeakPolarHBondContact CA-OE2 3.36Å; Y254-E275 WeakPolarHBondContact CD1-O 3.31Å; L255-E275 HydrophobicContact CB-CG 4.33Å; L255-E275 HydrophobicContact CD1-CG 4.47Å; L255-E275 PolarHBondContact N-OE2 2.9Å; L255-E275 WeakPolarHBondContact O-CB 3.45Å; L271-E275 HydrophobicContact CD1-CG 3.85Å; L271-E275 HydrophobicContact CG-CG 4.22Å; L271-E275 WeakPolarHBondContact O-CB 3.33Å; L271-E275 WeakPolarHBondContact O-CG 3.5Å; L271-E275 PolarHBondContact O-N 3.46Å; E273-E275 PolarHBondContact O-N 2.85Å; E275-D278 PolarHBondContact O-N 3.43Å; E275-L279 PolarHBondContact O-N 2.85Å |
| 276 | S | 90.9 | Very high | 88.8 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 11% | 0.105 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 173.9 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | F272 E273 L279 F280 | F272-S276 VanDerWaalsContact O-CB 3.3Å; F272-S276 WeakPolarHBondContact O-CB 3.27Å; F272-S276 PolarHBondContact O-N 3.31Å; E273-S276 PolarHBondContact O-N 3.04Å; S276-L279 PolarHBondContact O-N 3.42Å; S276-F280 WeakPolarHBondContact O-CB 3.26Å; S276-F280 VanDerWaalsContact O-CD1 3.31Å; S276-F280 WeakPolarHBondContact O-CD1 3.47Å; S276-F280 WeakPolarHBondContact O-CG 3.45Å; S276-F280 PolarHBondContact O-N 3.14Å; S276-F280 WeakPolarHBondContact OG-CE2 3.41Å; S276-F280 WeakPolarHBondContact OG-CZ 3.1Å |
| 277 | Q | 87.3 | Confident | 88.9 | Confident | 26 Ų | 26 | 45.5 Ų | 45.5 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 176.6 | -71.7 | 168.3 | -4.6 | 0 | 0 | 111.9 | E273 A274 L279 F280 R281 R425 | E273-Q277 WeakPolarHBondContact O-CG 3.49Å; E273-Q277 PolarHBondContact O-N 3.5Å; A274-Q277 PolarHBondContact O-N 3.25Å; Q277-L279 VanDerWaalsContact C-N 3.33Å; Q277-L279 PolarHBondContact O-N 3.47Å; Q277-F280 PolarHBondContact O-N 3.28Å; Q277-R281 WeakPolarHBondContact O-CG 3.42Å; Q277-R281 PolarHBondContact O-N 2.99Å; Q277-R425 VanDerWaalsContact OE1-CB 3.32Å; Q277-R425 VanDerWaalsContact OE1-CD 3.25Å |
| 278 | D | 90.9 | Very high | 88.8 | Confident | 49 Ų | 49 | 44.6 Ų | 44.6 | 26% | 0.262 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.5 | -42 | 175 | -78.7 | -3.8 | 0 | 0 | 0 | 112.1 | R252 Y254 A274 E275 R281 D282 | R252-D278 IonicContact NH2-OD2 3.48Å; R252-D278 PolarHBondContact NH2-OD2 2.87Å; Y254-D278 HydrophobicContact CD1-CB 4.16Å; Y254-D278 HydrophobicContact CE1-CB 3.75Å; A274-D278 PolarHBondContact O-N 2.8Å; E275-D278 PolarHBondContact O-N 3.43Å; D278-R281 IonicContact OD1-CZ 2.85Å; D278-R281 IonicContact OD1-NE 3.9Å; D278-R281 IonicContact OD1-NH2 2.68Å; D278-R281 PolarHBondContact OD1-NH2 2.96Å; D278-D282 PolarHBondContact O-N 3.05Å; D278-D282 VanDerWaalsContact O-N 3.13Å |
| 279 | L | 94.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.1 | 177.5 | 59.2 | 0 | 0 | 0 | 111.3 | F75 I187 V218 Y254 F258 E275 S276 Q277 D282 I283 | F75-L279 HydrophobicContact CE2-CD2 3.84Å; F75-L279 HydrophobicContact CZ-CD2 3.7Å; I187-L279 HydrophobicContact CD1-CD1 4.45Å; V218-L279 HydrophobicContact CG2-CD2 3.75Å; Y254-L279 HydrophobicContact CD1-CB 3.85Å; Y254-L279 HydrophobicContact CD2-CB 4.16Å; Y254-L279 HydrophobicContact CD2-CD1 3.71Å; Y254-L279 HydrophobicContact CD2-CG 4.35Å; Y254-L279 HydrophobicContact CE1-CB 4.09Å; Y254-L279 HydrophobicContact CE2-CB 4.36Å; Y254-L279 HydrophobicContact CE2-CD1 3.65Å; Y254-L279 HydrophobicContact CG-CB 3.87Å; Y254-L279 HydrophobicContact CG-CD1 4.3Å; Y254-L279 HydrophobicContact CG-CG 4.46Å; F258-L279 HydrophobicContact CD1-CD2 4.29Å; F258-L279 HydrophobicContact CE1-CD2 3.56Å; F258-L279 HydrophobicContact CZ-CD2 3.8Å; E275-L279 PolarHBondContact O-N 2.85Å; S276-L279 PolarHBondContact O-N 3.42Å; Q277-L279 VanDerWaalsContact C-N 3.33Å; Q277-L279 PolarHBondContact O-N 3.47Å; L279-D282 PolarHBondContact O-N 3.11Å; L279-I283 HydrophobicContact CD1-CD1 3.99Å; L279-I283 HydrophobicContact CD1-CG1 4.32Å; L279-I283 HydrophobicContact CG-CD1 4.04Å; L279-I283 WeakPolarHBondContact O-CG1 3.35Å; L279-I283 PolarHBondContact O-N 2.89Å |
| 280 | F | 93.3 | Very high | 88.8 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | -180 | -68.5 | -8.3 | 0 | 0 | 0 | 111.9 | Y78 L79 S276 Q277 D282 I283 Q284 A414 F415 | Y78-F280 HydrophobicContact CD1-CZ 4.44Å; Y78-F280 HydrophobicContact CE1-CE1 4.18Å; Y78-F280 AromaticContact CE1-CZ 3.58Å; Y78-F280 HydrophobicContact CE1-CZ 3.58Å; L79-F280 HydrophobicContact CD2-CD1 4.05Å; L79-F280 HydrophobicContact CD2-CE1 3.54Å; L79-F280 HydrophobicContact CD2-CZ 4.33Å; S276-F280 WeakPolarHBondContact O-CB 3.26Å; S276-F280 VanDerWaalsContact O-CD1 3.31Å; S276-F280 WeakPolarHBondContact O-CD1 3.47Å; S276-F280 WeakPolarHBondContact O-CG 3.45Å; S276-F280 PolarHBondContact O-N 3.14Å; S276-F280 WeakPolarHBondContact OG-CE2 3.41Å; S276-F280 WeakPolarHBondContact OG-CZ 3.1Å; Q277-F280 PolarHBondContact O-N 3.28Å; F280-D282 VanDerWaalsContact C-N 3.34Å; F280-D282 PolarHBondContact O-N 3.32Å; F280-I283 PolarHBondContact O-N 3.25Å; F280-Q284 WeakPolarHBondContact O-CB 3.33Å; F280-Q284 WeakPolarHBondContact O-CG 3.4Å; F280-Q284 PolarHBondContact O-N 3.28Å; F280-A414 HydrophobicContact CE2-CB 4.12Å; F280-A414 WeakPolarHBondContact CE2-O 3.35Å; F280-A414 HydrophobicContact CZ-CB 3.92Å; F280-F415 HydrophobicContact CB-CD1 3.89Å; F280-F415 HydrophobicContact CB-CE1 3.98Å; F280-F415 HydrophobicContact CD1-CE1 4.09Å; F280-F415 HydrophobicContact CG-CD1 4.15Å; F280-F415 HydrophobicContact CG-CE1 4.14Å |
| 281 | R | 90 | Very high | 89 | Confident | 109 Ų | 109 | 32.8 Ų | 32.8 | 41% | 0.411 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62 | -39.8 | 174.2 | -70.9 | -173.7 | -65 | -169.5 | -0.6 | 112.4 | Q277 D278 I283 Q284 S285 E419 | Q277-R281 WeakPolarHBondContact O-CG 3.42Å; Q277-R281 PolarHBondContact O-N 2.99Å; D278-R281 IonicContact OD1-CZ 2.85Å; D278-R281 IonicContact OD1-NE 3.9Å; D278-R281 IonicContact OD1-NH2 2.68Å; D278-R281 PolarHBondContact OD1-NH2 2.96Å; R281-I283 VanDerWaalsContact C-N 3.33Å; R281-I283 PolarHBondContact O-N 3.11Å; R281-Q284 PolarHBondContact O-N 2.79Å; R281-S285 WeakPolarHBondContact O-CB 3.44Å; R281-S285 PolarHBondContact O-N 2.87Å; R281-E419 VanDerWaalsContact CD-OE1 3.25Å; R281-E419 WeakPolarHBondContact CD-OE1 3.42Å |
| 282 | D | 93 | Very high | 89 | Confident | 23 Ų | 23 | 32.3 Ų | 32.3 | 12% | 0.123 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 175.1 | -176.3 | 58.5 | 0 | 0 | 0 | 111.5 | R185 R216 D278 L279 F280 S285 | R185-D282 IonicContact CZ-OD1 3.54Å; R185-D282 IonicContact CZ-OD2 3.39Å; R185-D282 VanDerWaalsContact CZ-OD2 3.3Å; R185-D282 IonicContact NE-OD1 2.72Å; R185-D282 IonicContact NE-OD2 2.7Å; R185-D282 PolarHBondContact NE-OD2 2.86Å; R185-D282 IonicContact NH2-OD1 2.88Å; R185-D282 PolarHBondContact NH2-OD1 2.88Å; R185-D282 IonicContact NH2-OD2 3.58Å; R185-D282 PolarHBondContact NH2-OD2 3.39Å; R216-D282 IonicContact CZ-OD2 3.27Å; R216-D282 IonicContact NE-OD1 2.72Å; R216-D282 IonicContact NE-OD2 2.7Å; R216-D282 PolarHBondContact NE-OD2 2.79Å; R216-D282 IonicContact NH2-OD1 3.43Å; R216-D282 PolarHBondContact NH2-OD1 2.82Å; D278-D282 PolarHBondContact O-N 3.05Å; D278-D282 VanDerWaalsContact O-N 3.13Å; L279-D282 PolarHBondContact O-N 3.11Å; F280-D282 VanDerWaalsContact C-N 3.34Å; F280-D282 PolarHBondContact O-N 3.32Å; D282-S285 PolarHBondContact O-OG 2.93Å |
| 283 | I | 94.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.8 | -43.1 | 177.4 | -62.7 | 169.7 | 0 | 0 | 0 | 111.9 | L79 I150 I187 L279 F280 R281 S285 L286 F415 | L79-I283 HydrophobicContact CD1-CD1 4.23Å; I150-I283 HydrophobicContact CD1-CG2 3.84Å; I187-I283 HydrophobicContact CD1-CD1 3.99Å; L279-I283 HydrophobicContact CD1-CD1 3.99Å; L279-I283 HydrophobicContact CD1-CG1 4.32Å; L279-I283 HydrophobicContact CG-CD1 4.04Å; L279-I283 WeakPolarHBondContact O-CG1 3.35Å; L279-I283 PolarHBondContact O-N 2.89Å; F280-I283 PolarHBondContact O-N 3.25Å; R281-I283 VanDerWaalsContact C-N 3.33Å; R281-I283 PolarHBondContact O-N 3.11Å; I283-S285 PolarHBondContact O-N 2.82Å; I283-L286 HydrophobicContact CG2-CD1 4.21Å; I283-L286 VanDerWaalsContact O-CB 3.29Å; I283-L286 WeakPolarHBondContact O-CB 3.45Å; I283-L286 WeakPolarHBondContact O-CG 3.45Å; I283-L286 PolarHBondContact O-N 2.82Å; I283-F415 HydrophobicContact CB-CE1 4.06Å; I283-F415 HydrophobicContact CB-CZ 4.23Å; I283-F415 HydrophobicContact CG2-CE1 4.02Å; I283-F415 HydrophobicContact CG2-CZ 3.71Å |
| 284 | Q | 91.4 | Very high | 89.1 | Confident | 18 Ų | 18 | 31.1 Ų | 31.1 | 8% | 0.084 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.2 | -32.5 | 177.7 | -78.7 | 173.9 | -48.1 | 0 | 0 | 112.4 | F280 R281 L286 P287 M409 V410 F415 | F280-Q284 WeakPolarHBondContact O-CB 3.33Å; F280-Q284 WeakPolarHBondContact O-CG 3.4Å; F280-Q284 PolarHBondContact O-N 3.28Å; R281-Q284 PolarHBondContact O-N 2.79Å; Q284-L286 PolarHBondContact O-N 3Å; Q284-P287 VanDerWaalsContact O-CD 3.29Å; Q284-P287 WeakPolarHBondContact O-CD 3.46Å; Q284-M409 WeakPolarHBondContact O-CA 3.35Å; Q284-V410 HydrophobicContact CB-CB 4.45Å; Q284-V410 HydrophobicContact CG-CB 4.06Å; Q284-V410 PolarHBondContact O-N 3.27Å; Q284-F415 HydrophobicContact CG-CB 4.19Å; Q284-F415 HydrophobicContact CG-CD1 3.42Å; Q284-F415 VanDerWaalsContact CG-CD1 3.42Å; Q284-F415 HydrophobicContact CG-CE1 4.02Å; Q284-F415 HydrophobicContact CG-CG 4Å; Q284-F415 PolarHBondContact NE2-O 3.19Å |
| 285 | S | 89.7 | Confident | 89.4 | Confident | 31 Ų | 31 | 30.3 Ų | 30.3 | 22% | 0.217 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -8.2 | 178.1 | 81.8 | 0 | 0 | 0 | 0 | 114.3 | R281 D282 I283 R288 N289 | R281-S285 WeakPolarHBondContact O-CB 3.44Å; R281-S285 PolarHBondContact O-N 2.87Å; D282-S285 PolarHBondContact O-OG 2.93Å; I283-S285 PolarHBondContact O-N 2.82Å; S285-R288 PolarHBondContact O-N 3.45Å; S285-N289 PolarHBondContact O-N 3.23Å; S285-N289 VanDerWaalsContact O-N 3.16Å; S285-N289 PolarHBondContact O-ND2 3.28Å |
| 286 | L | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -48.5 | -173.2 | -67 | 177.6 | 0 | 0 | 0 | 113.5 | P60 V62 I150 D184 R185 I283 Q284 R288 N289 A290 R293 | P60-L286 HydrophobicContact CB-CB 4.06Å; P60-L286 HydrophobicContact CG-CB 4.46Å; V62-L286 HydrophobicContact CG2-CD1 3.4Å; V62-L286 VanDerWaalsContact CG2-CD1 3.4Å; I150-L286 HydrophobicContact CG2-CB 4.34Å; D184-L286 HydrophobicContact CB-CD2 4.17Å; R185-L286 HydrophobicContact CB-CD1 4.12Å; R185-L286 HydrophobicContact CB-CD2 4.24Å; I283-L286 HydrophobicContact CG2-CD1 4.21Å; I283-L286 VanDerWaalsContact O-CB 3.29Å; I283-L286 WeakPolarHBondContact O-CB 3.45Å; I283-L286 WeakPolarHBondContact O-CG 3.45Å; I283-L286 PolarHBondContact O-N 2.82Å; Q284-L286 PolarHBondContact O-N 3Å; L286-R288 PolarHBondContact O-N 2.92Å; L286-N289 PolarHBondContact O-N 3.24Å; L286-A290 PolarHBondContact O-N 2.97Å; L286-R293 VanDerWaalsContact CD2-NH2 3.35Å; L286-R293 PolarHBondContact O-NH1 3Å |
| 287 | P | 89.1 | Confident | 89.2 | Confident | 24 Ų | 24 | 33.7 Ų | 33.7 | 16% | 0.156 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -41.9 | -178.7 | -17.6 | 31.3 | 0 | 0 | 0 | 112.4 | P60 I150 Q284 N289 A290 A408 V410 | P60-P287 HydrophobicContact CG-CB 4.46Å; I150-P287 HydrophobicContact CG2-CG 4.1Å; Q284-P287 VanDerWaalsContact O-CD 3.29Å; Q284-P287 WeakPolarHBondContact O-CD 3.46Å; P287-N289 VanDerWaalsContact C-N 3.3Å; P287-N289 PolarHBondContact O-N 3.34Å; P287-A290 VanDerWaalsContact O-CB 3.3Å; P287-A290 WeakPolarHBondContact O-CB 3.34Å; P287-A290 PolarHBondContact O-N 3.4Å; P287-A408 HydrophobicContact CB-CB 4.05Å; P287-A408 WeakPolarHBondContact CB-O 2.97Å; P287-V410 HydrophobicContact CG-CG2 4.02Å |
| 288 | R | 82.5 | Confident | 89.4 | Confident | 114 Ų | 114 | 32.8 Ų | 32.8 | 43% | 0.43 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -46.8 | 173.6 | -177.6 | -176.2 | 179 | 166.4 | 0.8 | 112.2 | S285 L286 P407 A408 | S285-R288 PolarHBondContact O-N 3.45Å; L286-R288 PolarHBondContact O-N 2.92Å; R288-P407 HydrophobicContact CG-CB 4.2Å; R288-A408 PolarHBondContact N-O 3.02Å |
| 289 | N | 83.1 | Confident | 89.5 | Confident | 44 Ų | 44 | 31.6 Ų | 31.6 | 24% | 0.235 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 1.8 | -173.6 | -67.6 | -38.1 | 0 | 0 | 0 | 113.7 | S285 L286 P287 A291 L292 R293 | S285-N289 PolarHBondContact O-N 3.23Å; S285-N289 VanDerWaalsContact O-N 3.16Å; S285-N289 PolarHBondContact O-ND2 3.28Å; L286-N289 PolarHBondContact O-N 3.24Å; P287-N289 VanDerWaalsContact C-N 3.3Å; P287-N289 PolarHBondContact O-N 3.34Å; N289-A291 PolarHBondContact O-N 3.23Å; N289-L292 PolarHBondContact O-N 3.27Å; N289-R293 WeakPolarHBondContact O-CG 3.35Å; N289-R293 PolarHBondContact O-N 3.43Å |
| 290 | A | 85.8 | Confident | 89.3 | Confident | 13 Ų | 13 | 35.3 Ų | 35.3 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | -171 | 0 | 0 | 0 | 0 | 0 | 112.5 | P60 L286 P287 L292 R293 K294 | P60-A290 HydrophobicContact CG-CB 3.78Å; L286-A290 PolarHBondContact O-N 2.97Å; P287-A290 VanDerWaalsContact O-CB 3.3Å; P287-A290 WeakPolarHBondContact O-CB 3.34Å; P287-A290 PolarHBondContact O-N 3.4Å; A290-L292 VanDerWaalsContact C-N 3.34Å; A290-L292 PolarHBondContact O-N 2.85Å; A290-R293 PolarHBondContact O-N 3.34Å; A290-K294 WeakPolarHBondContact O-CG 3.5Å; A290-K294 PolarHBondContact O-N 3.27Å |
| 291 | A | 85.1 | Confident | 89.3 | Confident | 19 Ų | 19 | 36.2 Ų | 36.2 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V22 N289 K294 L295 I398 | V22-A291 HydrophobicContact CB-CB 4.47Å; V22-A291 HydrophobicContact CG1-CB 3.95Å; N289-A291 PolarHBondContact O-N 3.23Å; A291-K294 PolarHBondContact O-N 3.13Å; A291-L295 WeakPolarHBondContact O-CB 3.34Å; A291-L295 PolarHBondContact O-N 3.4Å; A291-I398 HydrophobicContact CB-CD1 4.35Å; A291-I398 HydrophobicContact CB-CG1 4.14Å |
| 292 | L | 86.6 | Confident | 89.6 | Confident | 52 Ų | 52 | 31 Ų | 31 | 27% | 0.272 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -64 | -41.8 | 176.6 | -174.9 | 64.9 | 0 | 0 | 0 | 111.9 | N289 A290 L295 N296 M395 I398 | N289-L292 PolarHBondContact O-N 3.27Å; A290-L292 VanDerWaalsContact C-N 3.34Å; A290-L292 PolarHBondContact O-N 2.85Å; L292-L295 WeakPolarHBondContact O-CB 3.35Å; L292-L295 PolarHBondContact O-N 3.28Å; L292-N296 PolarHBondContact O-N 2.62Å; L292-N296 PolarHBondContact O-ND2 3.22Å; L292-M395 HydrophobicContact CD1-CE 3.66Å; L292-M395 HydrophobicContact CD1-SD 3.51Å; L292-M395 VanDerWaalsContact CD1-SD 3.51Å; L292-I398 HydrophobicContact CB-CG2 4.49Å; L292-I398 HydrophobicContact CD1-CD1 4.48Å |
| 293 | R | 86.9 | Confident | 89.7 | Confident | 33 Ų | 33 | 35.7 Ų | 35.7 | 13% | 0.125 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -47.3 | 175.8 | -70.1 | -168.2 | -159.9 | 90.4 | 7.8 | 112 | D184 L286 N289 A290 L295 N296 D297 | D184-R293 IonicContact OD1-NH1 2.68Å; L286-R293 VanDerWaalsContact CD2-NH2 3.35Å; L286-R293 PolarHBondContact O-NH1 3Å; N289-R293 WeakPolarHBondContact O-CG 3.35Å; N289-R293 PolarHBondContact O-N 3.43Å; A290-R293 PolarHBondContact O-N 3.34Å; R293-L295 PolarHBondContact O-N 3.04Å; R293-N296 WeakPolarHBondContact O-CB 3.31Å; R293-N296 PolarHBondContact O-N 3.42Å; R293-D297 PolarHBondContact O-N 3.17Å |
| 294 | K | 89.2 | Confident | 89.7 | Confident | 39 Ų | 39 | 37.9 Ų | 37.9 | 17% | 0.17 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.3 | -37.3 | 176.7 | -68.7 | -172.7 | -171.4 | -156 | 0 | 111.9 | L26 D55 F56 S58 A290 A291 L298 | L26-K294 HydrophobicContact CD1-CB 3.83Å; D55-K294 PolarHBondContact O-NZ 2.57Å; D55-K294 VanDerWaalsContact O-NZ 3.13Å; F56-K294 VanDerWaalsContact C-NZ 3.3Å; F56-K294 PolarHBondContact O-NZ 2.71Å; S58-K294 PolarHBondContact O-NZ 2.99Å; S58-K294 PolarHBondContact OG-NZ 3.44Å; A290-K294 WeakPolarHBondContact O-CG 3.5Å; A290-K294 PolarHBondContact O-N 3.27Å; A291-K294 PolarHBondContact O-N 3.13Å; K294-L298 WeakPolarHBondContact O-CB 3.35Å; K294-L298 PolarHBondContact O-N 3.32Å |
| 295 | L | 90.5 | Very high | 90 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 172.9 | 179.2 | 63.8 | 0 | 0 | 0 | 111.9 | L26 A291 L292 R293 D297 L298 I299 I391 L394 M395 I398 | L26-L295 HydrophobicContact CD2-CB 3.96Å; L26-L295 HydrophobicContact CD2-CD1 3.57Å; L26-L295 HydrophobicContact CD2-CG 4.37Å; A291-L295 WeakPolarHBondContact O-CB 3.34Å; A291-L295 PolarHBondContact O-N 3.4Å; L292-L295 WeakPolarHBondContact O-CB 3.35Å; L292-L295 PolarHBondContact O-N 3.28Å; R293-L295 PolarHBondContact O-N 3.04Å; L295-D297 PolarHBondContact O-N 3.35Å; L295-L298 PolarHBondContact O-N 2.85Å; L295-I299 HydrophobicContact CG-CD1 4.26Å; L295-I299 WeakPolarHBondContact O-CG1 3.45Å; L295-I299 PolarHBondContact O-N 2.68Å; L295-I391 HydrophobicContact CD1-CD1 4.32Å; L295-I391 HydrophobicContact CD1-CG1 4.17Å; L295-I391 HydrophobicContact CD1-CG2 4.12Å; L295-I391 HydrophobicContact CD2-CG2 4.31Å; L295-I391 HydrophobicContact CG-CG2 4.49Å; L295-L394 HydrophobicContact CD1-CD1 4.24Å; L295-M395 HydrophobicContact CD2-CE 3.69Å; L295-M395 HydrophobicContact CD2-CG 3.72Å; L295-M395 HydrophobicContact CD2-SD 3.49Å; L295-M395 WeakPolarHBondContact CD2-SD 3.4Å; L295-I398 HydrophobicContact CB-CD1 4.42Å; L295-I398 HydrophobicContact CD2-CD1 3.79Å |
| 296 | N | 88.8 | Confident | 90.4 | Very high | 66 Ų | 66 | 37.2 Ų | 37.2 | 35% | 0.353 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 177.3 | -71.6 | -22.8 | 0 | 0 | 0 | 112.2 | L292 R293 I299 K300 | L292-N296 PolarHBondContact O-N 2.62Å; L292-N296 PolarHBondContact O-ND2 3.22Å; R293-N296 WeakPolarHBondContact O-CB 3.31Å; R293-N296 PolarHBondContact O-N 3.42Å; N296-I299 WeakPolarHBondContact O-CB 3.44Å; N296-I299 PolarHBondContact O-N 3.49Å; N296-K300 WeakPolarHBondContact O-CG 3.28Å; N296-K300 PolarHBondContact O-N 3.35Å |
| 297 | D | 88.4 | Confident | 90.6 | Very high | 40 Ų | 40 | 37.3 Ų | 37.3 | 21% | 0.214 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -38.4 | 176.9 | -74.1 | -16.4 | 0 | 0 | 0 | 111.5 | K214 R293 L295 I299 K300 R301 | K214-D297 IonicContact NZ-OD1 2.81Å; K214-D297 IonicContact NZ-OD2 3.98Å; K214-D297 PolarHBondContact NZ-OD2 3.49Å; R293-D297 PolarHBondContact O-N 3.17Å; L295-D297 PolarHBondContact O-N 3.35Å; D297-I299 VanDerWaalsContact C-N 3.33Å; D297-I299 PolarHBondContact O-N 2.98Å; D297-K300 PolarHBondContact O-N 2.98Å; D297-R301 VanDerWaalsContact O-CB 3.31Å; D297-R301 WeakPolarHBondContact O-CB 3.36Å; D297-R301 PolarHBondContact O-N 3.15Å |
| 298 | L | 92.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.5 | -37.3 | 172.6 | -174.3 | 64.4 | 0 | 0 | 0 | 111.9 | L26 Y30 L34 K294 L295 A302 | L26-L298 HydrophobicContact CD2-CD2 3.82Å; Y30-L298 HydrophobicContact CD2-CD1 3.84Å; Y30-L298 HydrophobicContact CG-CD1 4.39Å; L34-L298 HydrophobicContact CD2-CD1 3.84Å; K294-L298 WeakPolarHBondContact O-CB 3.35Å; K294-L298 PolarHBondContact O-N 3.32Å; L295-L298 PolarHBondContact O-N 2.85Å; L298-A302 VanDerWaalsContact O-CB 3.27Å; L298-A302 WeakPolarHBondContact O-CB 3.39Å; L298-A302 PolarHBondContact O-N 2.87Å |
| 299 | I | 93 | Very high | 91.8 | Very high | 24 Ų | 24 | 30.8 Ų | 30.8 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.2 | -50.9 | 174.2 | -68.3 | 163.1 | 0 | 0 | 0 | 110.8 | L295 N296 D297 R301 A302 R303 L387 I391 | L295-I299 HydrophobicContact CG-CD1 4.26Å; L295-I299 WeakPolarHBondContact O-CG1 3.45Å; L295-I299 PolarHBondContact O-N 2.68Å; N296-I299 WeakPolarHBondContact O-CB 3.44Å; N296-I299 PolarHBondContact O-N 3.49Å; D297-I299 VanDerWaalsContact C-N 3.33Å; D297-I299 PolarHBondContact O-N 2.98Å; I299-R301 VanDerWaalsContact C-N 3.3Å; I299-R301 PolarHBondContact O-N 3.09Å; I299-A302 PolarHBondContact O-N 3.31Å; I299-R303 WeakPolarHBondContact O-CG 3.28Å; I299-R303 PolarHBondContact O-N 3.01Å; I299-L387 HydrophobicContact CG1-CD2 4.28Å; I299-L387 HydrophobicContact CG2-CD2 4.23Å; I299-I391 HydrophobicContact CD1-CD1 3.82Å; I299-I391 HydrophobicContact CD1-CG2 4.02Å; I299-I391 HydrophobicContact CG1-CD1 3.29Å |
| 300 | K | 90.5 | Very high | 92.6 | Very high | 79 Ų | 79 | 29.5 Ų | 29.5 | 34% | 0.343 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -55.5 | -47.8 | 178 | -72.4 | 179.3 | 179.8 | -178.8 | 0 | 109.9 | D213 N296 D297 R303 L304 | D213-K300 IonicContact OD1-NZ 3.94Å; D213-K300 PolarHBondContact OD1-NZ 3.26Å; N296-K300 WeakPolarHBondContact O-CG 3.28Å; N296-K300 PolarHBondContact O-N 3.35Å; D297-K300 PolarHBondContact O-N 2.98Å; K300-R303 PolarHBondContact O-N 3.06Å; K300-L304 PolarHBondContact O-N 3.06Å; K300-L304 VanDerWaalsContact O-N 3.14Å |
| 301 | R | 93.3 | Very high | 93.2 | Very high | 27 Ų | 27 | 28.9 Ų | 28.9 | 10% | 0.102 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 177.4 | -172.4 | 176.8 | 178.2 | 114.7 | 1.3 | 112.8 | L34 E38 F43 S48 P49 D297 I299 R303 L304 A305 | L34-R301 HydrophobicContact CD2-CG 4.2Å; E38-R301 WeakPolarHBondContact OE1-CD 3.42Å; E38-R301 WeakPolarHBondContact OE1-CG 3.46Å; E38-R301 IonicContact OE1-CZ 3.9Å; E38-R301 IonicContact OE1-NE 3.79Å; E38-R301 PolarHBondContact OE1-NE 3.2Å; E38-R301 IonicContact OE1-NH2 3.49Å; E38-R301 IonicContact OE2-CZ 3.15Å; E38-R301 IonicContact OE2-NE 2.62Å; E38-R301 PolarHBondContact OE2-NE 2.71Å; E38-R301 IonicContact OE2-NH2 2.79Å; E38-R301 PolarHBondContact OE2-NH2 3.29Å; F43-R301 HydrophobicContact CZ-CG 4.37Å; S48-R301 PolarHBondContact O-NH2 2.96Å; S48-R301 PolarHBondContact OG-NH1 3.05Å; P49-R301 PolarHBondContact O-NH1 2.77Å; P49-R301 PolarHBondContact O-NH2 3.32Å; D297-R301 VanDerWaalsContact O-CB 3.31Å; D297-R301 WeakPolarHBondContact O-CB 3.36Å; D297-R301 PolarHBondContact O-N 3.15Å; I299-R301 VanDerWaalsContact C-N 3.3Å; I299-R301 PolarHBondContact O-N 3.09Å; R301-R303 VanDerWaalsContact C-N 3.34Å; R301-R303 PolarHBondContact O-N 3.34Å; R301-L304 PolarHBondContact O-N 3.48Å; R301-A305 WeakPolarHBondContact O-CB 3.02Å; R301-A305 PolarHBondContact O-N 3.43Å |
| 302 | A | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L34 L298 I299 A305 K306 V383 M386 L387 | L34-A302 HydrophobicContact CD1-CB 4.12Å; L34-A302 HydrophobicContact CD2-CB 3.97Å; L298-A302 VanDerWaalsContact O-CB 3.27Å; L298-A302 WeakPolarHBondContact O-CB 3.39Å; L298-A302 PolarHBondContact O-N 2.87Å; I299-A302 PolarHBondContact O-N 3.31Å; A302-A305 PolarHBondContact O-N 3.23Å; A302-K306 WeakPolarHBondContact O-CG 3.44Å; A302-K306 PolarHBondContact O-N 3.26Å; A302-V383 HydrophobicContact CB-CG1 4.03Å; A302-M386 HydrophobicContact CB-CE 3.71Å; A302-L387 HydrophobicContact CB-CD1 4.43Å; A302-L387 HydrophobicContact CB-CD2 3.98Å; A302-L387 HydrophobicContact CB-CG 4.45Å |
| 303 | R | 95.3 | Very high | 94.3 | Very high | 120 Ų | 120 | 25.9 Ų | 25.9 | 45% | 0.453 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -63.5 | -47.7 | 175.5 | -69.2 | -179.7 | -174.2 | 174.6 | 1.6 | 111.5 | I299 K300 R301 A305 K306 V307 | I299-R303 WeakPolarHBondContact O-CG 3.28Å; I299-R303 PolarHBondContact O-N 3.01Å; K300-R303 PolarHBondContact O-N 3.06Å; R301-R303 VanDerWaalsContact C-N 3.34Å; R301-R303 PolarHBondContact O-N 3.34Å; R303-A305 VanDerWaalsContact C-N 3.33Å; R303-A305 PolarHBondContact O-N 3.44Å; R303-K306 WeakPolarHBondContact O-CB 3.32Å; R303-K306 PolarHBondContact O-N 3.43Å; R303-V307 WeakPolarHBondContact O-CG2 3.48Å; R303-V307 PolarHBondContact O-N 3.35Å |
| 304 | L | 94.9 | Very high | 94.9 | Very high | 47 Ų | 47 | 26.4 Ų | 26.4 | 25% | 0.246 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.6 | -42.2 | 177.4 | -177.3 | 61.8 | 0 | 0 | 0 | 112 | F43 H47 K300 R301 K306 V307 H308 P355 | F43-L304 HydrophobicContact CE2-CB 4.48Å; F43-L304 HydrophobicContact CE2-CD2 4.25Å; F43-L304 HydrophobicContact CE2-CG 4.01Å; F43-L304 HydrophobicContact CZ-CD2 4.19Å; F43-L304 HydrophobicContact CZ-CG 4.41Å; H47-L304 HydrophobicContact CB-CD2 4.3Å; K300-L304 PolarHBondContact O-N 3.06Å; K300-L304 VanDerWaalsContact O-N 3.14Å; R301-L304 PolarHBondContact O-N 3.48Å; L304-K306 PolarHBondContact O-N 3.05Å; L304-V307 PolarHBondContact O-N 2.97Å; L304-H308 WeakPolarHBondContact O-CB 3.3Å; L304-H308 PolarHBondContact O-N 3.37Å; L304-P355 HydrophobicContact CD1-CB 4.21Å; L304-P355 HydrophobicContact CD1-CG 4.47Å |
| 305 | A | 97.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 2% | 0.017 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L34 L37 E38 F43 R301 A302 R303 H308 A309 | L34-A305 HydrophobicContact CD1-CB 3.75Å; L37-A305 HydrophobicContact CD2-CB 4.24Å; E38-A305 HydrophobicContact CG-CB 4.07Å; F43-A305 HydrophobicContact CD2-CB 3.91Å; F43-A305 HydrophobicContact CE2-CB 3.85Å; R301-A305 WeakPolarHBondContact O-CB 3.02Å; R301-A305 PolarHBondContact O-N 3.43Å; A302-A305 PolarHBondContact O-N 3.23Å; R303-A305 VanDerWaalsContact C-N 3.33Å; R303-A305 PolarHBondContact O-N 3.44Å; A305-H308 PolarHBondContact O-N 2.98Å; A305-A309 WeakPolarHBondContact O-CB 3.09Å; A305-A309 PolarHBondContact O-N 2.94Å |
| 306 | K | 97.3 | Very high | 95.6 | Very high | 32 Ų | 32 | 27.2 Ų | 27.2 | 14% | 0.139 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -48.9 | 172.5 | -75.9 | -174.5 | 72.8 | -155.6 | 0 | 111.7 | L37 A302 R303 L304 H308 A309 Y310 V383 D384 L387 | L37-K306 HydrophobicContact CD2-CG 4.16Å; A302-K306 WeakPolarHBondContact O-CG 3.44Å; A302-K306 PolarHBondContact O-N 3.26Å; R303-K306 WeakPolarHBondContact O-CB 3.32Å; R303-K306 PolarHBondContact O-N 3.43Å; L304-K306 PolarHBondContact O-N 3.05Å; K306-H308 VanDerWaalsContact C-N 3.31Å; K306-H308 PolarHBondContact O-N 3.3Å; K306-A309 WeakPolarHBondContact O-CB 3.28Å; K306-A309 PolarHBondContact O-N 3.28Å; K306-Y310 HydrophobicContact CB-CE2 4.45Å; K306-Y310 WeakPolarHBondContact O-CD2 3.29Å; K306-Y310 PolarHBondContact O-N 2.87Å; K306-V383 HydrophobicContact CD-CB 4.39Å; K306-V383 HydrophobicContact CD-CG1 3.89Å; K306-V383 HydrophobicContact CG-CB 4.3Å; K306-V383 HydrophobicContact CG-CG1 3.86Å; K306-D384 VanDerWaalsContact CE-OD1 3.26Å; K306-D384 WeakPolarHBondContact CE-OD1 3.32Å; K306-D384 WeakPolarHBondContact CE-OD2 2.99Å; K306-D384 IonicContact NZ-OD1 3.36Å; K306-D384 PolarHBondContact NZ-OD1 3.45Å; K306-D384 IonicContact NZ-OD2 2.96Å; K306-D384 PolarHBondContact NZ-OD2 3.29Å; K306-D384 VanDerWaalsContact NZ-OD2 3.16Å; K306-L387 HydrophobicContact CD-CD1 4.32Å |
| 307 | V | 97.8 | Very high | 96 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.1 | -47.6 | 177.4 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | R303 L304 A309 Y310 I311 I349 D353 F354 | R303-V307 WeakPolarHBondContact O-CG2 3.48Å; R303-V307 PolarHBondContact O-N 3.35Å; L304-V307 PolarHBondContact O-N 2.97Å; V307-A309 VanDerWaalsContact C-N 3.34Å; V307-A309 PolarHBondContact O-N 3.48Å; V307-Y310 PolarHBondContact O-N 3.43Å; V307-I311 HydrophobicContact CG1-CD1 3.73Å; V307-I311 HydrophobicContact CG1-CG1 4.38Å; V307-I311 WeakPolarHBondContact O-CG1 3.36Å; V307-I311 PolarHBondContact O-N 3.06Å; V307-I349 HydrophobicContact CG2-CD1 4.03Å; V307-I349 HydrophobicContact CG2-CG2 3.65Å; V307-D353 HydrophobicContact CG2-CB 3.95Å; V307-F354 HydrophobicContact CG1-CD1 3.52Å; V307-F354 HydrophobicContact CG1-CD2 4.45Å; V307-F354 HydrophobicContact CG1-CE1 3.72Å; V307-F354 HydrophobicContact CG1-CG 3.93Å; V307-F354 HydrophobicContact CG1-CZ 4.28Å |
| 308 | H | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 177.7 | -176.4 | 65.3 | 0 | 0 | 0 | 112.2 | Y41 F43 F46 H47 L304 A305 K306 Y310 I311 I312 | Y41-H308 PolarHBondContact O-CD2 2.85Å; Y41-H308 PolarHBondContact O-NE2 2.98Å; F43-H308 HydrophobicContact CD2-CB 4.2Å; F46-H308 AromaticContact CD2-CE1 3.49Å; F46-H308 VanDerWaalsContact CD2-CE1 3.49Å; F46-H308 WeakPolarHBondContact CD2-CE1 3.48Å; F46-H308 AromaticContact CD2-NE2 3.67Å; F46-H308 AromaticContact CG-CE1 3.48Å; F46-H308 VanDerWaalsContact CG-CE1 3.48Å; F46-H308 WeakPolarHBondContact CG-CE1 3.48Å; H47-H308 AromaticContact CD2-CG 3.83Å; H47-H308 AromaticContact CD2-ND1 3.85Å; H47-H308 AromaticContact NE2-CE1 3.63Å; H47-H308 AromaticContact NE2-CG 3.35Å; H47-H308 VanDerWaalsContact NE2-CG 3.35Å; H47-H308 AromaticContact NE2-ND1 3.04Å; H47-H308 PolarHBondContact NE2-ND1 3.07Å; L304-H308 WeakPolarHBondContact O-CB 3.3Å; L304-H308 PolarHBondContact O-N 3.37Å; A305-H308 PolarHBondContact O-N 2.98Å; K306-H308 VanDerWaalsContact C-N 3.31Å; K306-H308 PolarHBondContact O-N 3.3Å; H308-Y310 VanDerWaalsContact C-N 3.31Å; H308-Y310 PolarHBondContact O-N 3.48Å; H308-I311 PolarHBondContact O-N 3.44Å; H308-I312 WeakPolarHBondContact O-CG1 3.49Å; H308-I312 PolarHBondContact O-N 3.44Å |
| 309 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59 | -40.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L37 Y41 A305 K306 V307 S313 I380 | L37-A309 HydrophobicContact CD1-CB 4.03Å; L37-A309 HydrophobicContact CD2-CB 4.46Å; L37-A309 HydrophobicContact CG-CB 4.32Å; Y41-A309 HydrophobicContact CD1-CB 4.14Å; Y41-A309 HydrophobicContact CD2-CB 3.47Å; Y41-A309 VanDerWaalsContact CD2-CB 3.47Å; Y41-A309 HydrophobicContact CE1-CB 4.36Å; Y41-A309 HydrophobicContact CE2-CB 3.69Å; Y41-A309 HydrophobicContact CG-CB 3.71Å; A305-A309 WeakPolarHBondContact O-CB 3.09Å; A305-A309 PolarHBondContact O-N 2.94Å; K306-A309 WeakPolarHBondContact O-CB 3.28Å; K306-A309 PolarHBondContact O-N 3.28Å; V307-A309 VanDerWaalsContact C-N 3.34Å; V307-A309 PolarHBondContact O-N 3.48Å; A309-S313 WeakPolarHBondContact O-CB 3.44Å; A309-S313 PolarHBondContact O-N 3.28Å; A309-S313 PolarHBondContact O-OG 2.93Å; A309-I380 HydrophobicContact CB-CD1 3.97Å |
| 310 | Y | 98.5 | Very high | 96.6 | Very high | 18 Ų | 18 | 34.4 Ų | 34.4 | 7% | 0.071 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.1 | -43.8 | 174.2 | -67.5 | -56.6 | 0 | 0 | 0 | 112.3 | K306 V307 H308 S313 Y314 H347 I349 L375 I380 | K306-Y310 HydrophobicContact CB-CE2 4.45Å; K306-Y310 WeakPolarHBondContact O-CD2 3.29Å; K306-Y310 PolarHBondContact O-N 2.87Å; V307-Y310 PolarHBondContact O-N 3.43Å; H308-Y310 VanDerWaalsContact C-N 3.31Å; H308-Y310 PolarHBondContact O-N 3.48Å; Y310-S313 PolarHBondContact O-N 3.03Å; Y310-Y314 VanDerWaalsContact O-CB 3.28Å; Y310-Y314 WeakPolarHBondContact O-CB 3.36Å; Y310-Y314 PolarHBondContact O-N 2.88Å; Y310-H347 AromaticContact CD1-CD2 3.64Å; Y310-H347 AromaticContact CD1-CE1 3.99Å; Y310-H347 AromaticContact CD1-NE2 3.45Å; Y310-H347 WeakPolarHBondContact CD1-NE2 3.29Å; Y310-H347 AromaticContact CD2-CD2 3.98Å; Y310-H347 AromaticContact CE1-CD2 3.92Å; Y310-H347 AromaticContact CE1-CE1 3.84Å; Y310-H347 AromaticContact CE1-ND1 4Å; Y310-H347 AromaticContact CE1-NE2 3.77Å; Y310-H347 HydrophobicContact CE2-CB 4.26Å; Y310-H347 AromaticContact CG-CD2 3.67Å; Y310-H347 AromaticContact CG-NE2 3.93Å; Y310-I349 HydrophobicContact CD2-CD1 3.69Å; Y310-I349 HydrophobicContact CE2-CD1 3.89Å; Y310-L375 HydrophobicContact CD1-CD1 4.04Å; Y310-L375 HydrophobicContact CD1-CD2 4.49Å; Y310-L375 HydrophobicContact CE1-CD1 4.26Å; Y310-L375 HydrophobicContact CE1-CD2 4.47Å; Y310-I380 HydrophobicContact CE1-CD1 4.4Å; Y310-I380 HydrophobicContact CE1-CG1 4.46Å; Y310-I380 HydrophobicContact CE1-CG2 4.49Å; Y310-I380 VanDerWaalsContact OH-CG2 3.26Å; Y310-I380 WeakPolarHBondContact OH-CG2 3.3Å |
| 311 | I | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -55.6 | 177 | -66.2 | 162.6 | 0 | 0 | 0 | 110.1 | V307 H308 S313 Y314 L315 L336 Y340 L343 F354 P355 M360 | V307-I311 HydrophobicContact CG1-CD1 3.73Å; V307-I311 HydrophobicContact CG1-CG1 4.38Å; V307-I311 WeakPolarHBondContact O-CG1 3.36Å; V307-I311 PolarHBondContact O-N 3.06Å; H308-I311 PolarHBondContact O-N 3.44Å; I311-S313 VanDerWaalsContact C-N 3.31Å; I311-S313 PolarHBondContact O-N 3.18Å; I311-Y314 PolarHBondContact O-N 3.47Å; I311-L315 HydrophobicContact CG2-CD1 4.08Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 VanDerWaalsContact O-CG 3.3Å; I311-L315 WeakPolarHBondContact O-CG 3.32Å; I311-L315 PolarHBondContact O-N 2.76Å; I311-L336 HydrophobicContact CG2-CD1 4.27Å; I311-Y340 HydrophobicContact CD1-CD1 4.25Å; I311-Y340 HydrophobicContact CD1-CE1 3.45Å; I311-Y340 VanDerWaalsContact CD1-CE1 3.45Å; I311-Y340 HydrophobicContact CG1-CD1 4.28Å; I311-Y340 HydrophobicContact CG1-CE1 3.77Å; I311-Y340 HydrophobicContact CG2-CE1 4.3Å; I311-L343 HydrophobicContact CB-CD1 4.41Å; I311-L343 HydrophobicContact CG1-CD1 3.77Å; I311-F354 HydrophobicContact CD1-CD1 4.27Å; I311-P355 HydrophobicContact CD1-CG 4.1Å; I311-M360 HydrophobicContact CG2-CE 4.25Å |
| 312 | I | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | -178.3 | -64.2 | -58.9 | 0 | 0 | 0 | 111.3 | Y41 F46 H308 L315 K316 L364 F372 P373 | Y41-I312 HydrophobicContact CD1-CB 4.15Å; Y41-I312 HydrophobicContact CD1-CG2 3.99Å; F46-I312 HydrophobicContact CE2-CD1 4.41Å; F46-I312 HydrophobicContact CZ-CD1 4.23Å; H308-I312 WeakPolarHBondContact O-CG1 3.49Å; H308-I312 PolarHBondContact O-N 3.44Å; I312-L315 PolarHBondContact O-N 3.46Å; I312-K316 WeakPolarHBondContact O-CB 3.41Å; I312-K316 PolarHBondContact O-N 3.2Å; I312-L364 HydrophobicContact CD1-CD2 4.12Å; I312-F372 HydrophobicContact CD1-CD2 4.47Å; I312-F372 HydrophobicContact CD1-CE1 4.25Å; I312-F372 HydrophobicContact CD1-CE2 4Å; I312-F372 HydrophobicContact CD1-CZ 3.9Å; I312-F372 HydrophobicContact CG2-CB 3.77Å; I312-F372 HydrophobicContact CG2-CD1 3.92Å; I312-F372 HydrophobicContact CG2-CD2 3.98Å; I312-F372 HydrophobicContact CG2-CE1 4.5Å; I312-F372 HydrophobicContact CG2-CG 3.65Å; I312-P373 HydrophobicContact CG2-CG 4.23Å |
| 313 | S | 98.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.1 | -39.8 | 177.9 | -62.5 | 0 | 0 | 0 | 0 | 113.1 | Y41 A309 Y310 I311 K316 K317 L375 | Y41-S313 WeakPolarHBondContact CE1-OG 3.26Å; A309-S313 WeakPolarHBondContact O-CB 3.44Å; A309-S313 PolarHBondContact O-N 3.28Å; A309-S313 PolarHBondContact O-OG 2.93Å; Y310-S313 PolarHBondContact O-N 3.03Å; I311-S313 VanDerWaalsContact C-N 3.31Å; I311-S313 PolarHBondContact O-N 3.18Å; S313-K316 PolarHBondContact O-N 2.86Å; S313-K317 WeakPolarHBondContact O-CB 3.48Å; S313-K317 PolarHBondContact O-N 2.93Å; S313-L375 WeakPolarHBondContact OG-CA 3.39Å; S313-L375 WeakPolarHBondContact OG-CD1 3.49Å |
| 314 | Y | 98.3 | Very high | 95.3 | Very high | 44 Ų | 44 | 45.4 Ų | 45.4 | 17% | 0.173 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -46.8 | 177.3 | -176 | -82.6 | 0 | 0 | 0 | 110.5 | Y310 I311 K316 K317 E318 I339 L343 | Y310-Y314 VanDerWaalsContact O-CB 3.28Å; Y310-Y314 WeakPolarHBondContact O-CB 3.36Å; Y310-Y314 PolarHBondContact O-N 2.88Å; I311-Y314 PolarHBondContact O-N 3.47Å; Y314-K316 VanDerWaalsContact C-N 3.3Å; Y314-K316 PolarHBondContact O-N 3.49Å; Y314-K317 WeakPolarHBondContact O-CB 3.44Å; Y314-K317 PolarHBondContact O-N 2.86Å; Y314-K317 VanDerWaalsContact O-N 3.1Å; Y314-E318 HydrophobicContact CD1-CG 4.04Å; Y314-E318 HydrophobicContact CE1-CG 3.57Å; Y314-E318 PolarHBondContact O-N 3.23Å; Y314-I339 HydrophobicContact CD1-CD1 4.19Å; Y314-I339 HydrophobicContact CD1-CG1 4.22Å; Y314-I339 HydrophobicContact CD1-CG2 3.6Å; Y314-I339 HydrophobicContact CE1-CB 4.39Å; Y314-I339 HydrophobicContact CE1-CD1 3.91Å; Y314-I339 HydrophobicContact CE1-CG1 3.71Å; Y314-I339 HydrophobicContact CE1-CG2 3.85Å; Y314-I339 HydrophobicContact CG-CG2 4.13Å; Y314-L343 HydrophobicContact CD2-CD2 3.93Å; Y314-L343 HydrophobicContact CG-CD2 4.29Å |
| 315 | L | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.5 | -45.1 | 175.7 | -65 | 176.2 | 0 | 0 | 0 | 110.9 | I311 I312 K317 E318 M319 L332 I339 L364 F369 F372 | I311-L315 HydrophobicContact CG2-CD1 4.08Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 VanDerWaalsContact O-CG 3.3Å; I311-L315 WeakPolarHBondContact O-CG 3.32Å; I311-L315 PolarHBondContact O-N 2.76Å; I312-L315 PolarHBondContact O-N 3.46Å; L315-K317 PolarHBondContact O-N 3.2Å; L315-E318 PolarHBondContact O-N 3.16Å; L315-M319 WeakPolarHBondContact O-CG 3.33Å; L315-M319 PolarHBondContact O-N 2.59Å; L315-L332 HydrophobicContact CD2-CB 3.88Å; L315-L332 HydrophobicContact CD2-CD1 4.26Å; L315-L332 HydrophobicContact CD2-CD2 4.5Å; L315-L332 HydrophobicContact CD2-CG 4.45Å; L315-I339 HydrophobicContact CD2-CD1 4.06Å; L315-L364 HydrophobicContact CD1-CD1 3.8Å; L315-L364 HydrophobicContact CD1-CD2 3.73Å; L315-L364 HydrophobicContact CD1-CG 4.44Å; L315-F369 HydrophobicContact CB-CD2 3.97Å; L315-F369 HydrophobicContact CB-CE2 4.15Å; L315-F369 HydrophobicContact CD1-CD2 4.46Å; L315-F369 HydrophobicContact CD1-CE1 4.47Å; L315-F369 HydrophobicContact CD1-CE2 3.9Å; L315-F369 HydrophobicContact CD1-CZ 3.89Å; L315-F369 HydrophobicContact CD2-CD2 4.36Å; L315-F369 HydrophobicContact CD2-CE2 3.82Å; L315-F369 HydrophobicContact CG-CD2 4.49Å; L315-F369 HydrophobicContact CG-CE2 4.17Å; L315-F372 HydrophobicContact CB-CD2 4.3Å; L315-F372 HydrophobicContact CB-CE2 4.44Å; L315-F372 HydrophobicContact CD1-CE2 4.26Å |
| 316 | K | 97.4 | Very high | 95 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 174.7 | 176.6 | 54.5 | 175.5 | 174.6 | 0 | 112.8 | I312 S313 Y314 E318 M319 S370 F372 | I312-K316 WeakPolarHBondContact O-CB 3.41Å; I312-K316 PolarHBondContact O-N 3.2Å; S313-K316 PolarHBondContact O-N 2.86Å; Y314-K316 VanDerWaalsContact C-N 3.3Å; Y314-K316 PolarHBondContact O-N 3.49Å; K316-E318 VanDerWaalsContact C-N 3.31Å; K316-E318 PolarHBondContact O-N 2.98Å; K316-M319 PolarHBondContact O-N 3.03Å; K316-S370 PolarHBondContact NZ-O 3.39Å; K316-F372 HydrophobicContact CB-CB 3.86Å; K316-F372 HydrophobicContact CD-CB 4.36Å; K316-F372 WeakPolarHBondContact CD-O 3.29Å; K316-F372 WeakPolarHBondContact CE-O 3.46Å; K316-F372 HydrophobicContact CG-CB 4.39Å; K316-F372 VanDerWaalsContact CG-O 3.3Å; K316-F372 WeakPolarHBondContact CG-O 3.44Å |
| 317 | K | 96.9 | Very high | 94.9 | Very high | 152 Ų | 152 | 60.1 Ų | 60.1 | 66% | 0.661 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.6 | -37.5 | -178.8 | -178.4 | -174.4 | 174.4 | -171.2 | 0 | 112 | S313 Y314 L315 M319 | S313-K317 WeakPolarHBondContact O-CB 3.48Å; S313-K317 PolarHBondContact O-N 2.93Å; Y314-K317 WeakPolarHBondContact O-CB 3.44Å; Y314-K317 PolarHBondContact O-N 2.86Å; Y314-K317 VanDerWaalsContact O-N 3.1Å; L315-K317 PolarHBondContact O-N 3.2Å; K317-M319 VanDerWaalsContact C-N 3.32Å; K317-M319 PolarHBondContact O-N 2.99Å |
| 318 | E | 96.9 | Very high | 94.9 | Very high | 69 Ų | 69 | 62.1 Ų | 62.1 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -81 | -7.3 | -178.7 | -68.8 | -62.4 | 117.2 | 0 | 0 | 114.2 | Y314 L315 K316 L332 | Y314-E318 HydrophobicContact CD1-CG 4.04Å; Y314-E318 HydrophobicContact CE1-CG 3.57Å; Y314-E318 PolarHBondContact O-N 3.23Å; L315-E318 PolarHBondContact O-N 3.16Å; K316-E318 VanDerWaalsContact C-N 3.31Å; K316-E318 PolarHBondContact O-N 2.98Å; E318-L332 HydrophobicContact CB-CD1 3.88Å; E318-L332 HydrophobicContact CB-CD2 3.83Å; E318-L332 HydrophobicContact CB-CG 4.48Å; E318-L332 HydrophobicContact CG-CD2 4.16Å |
| 319 | M | 96.1 | Very high | 94.8 | Very high | 24 Ų | 24 | 63.3 Ų | 63.3 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -76.1 | 132.9 | -179 | -76.4 | -60.4 | -72.1 | 0 | 0 | 112.6 | L315 K316 K317 R325 K328 L332 F369 | L315-M319 WeakPolarHBondContact O-CG 3.33Å; L315-M319 PolarHBondContact O-N 2.59Å; K316-M319 PolarHBondContact O-N 3.03Å; K317-M319 VanDerWaalsContact C-N 3.32Å; K317-M319 PolarHBondContact O-N 2.99Å; M319-R325 HydrophobicContact CE-CB 3.63Å; M319-R325 HydrophobicContact CE-CG 3.95Å; M319-K328 HydrophobicContact SD-CG 4.4Å; M319-L332 HydrophobicContact SD-CD1 4.15Å; M319-F369 HydrophobicContact CE-CB 3.95Å; M319-F369 HydrophobicContact CG-CB 3.49Å; M319-F369 VanDerWaalsContact CG-CB 3.49Å; M319-F369 HydrophobicContact CG-CD2 4.49Å; M319-F369 HydrophobicContact SD-CB 3.6Å; M319-F369 HydrophobicContact SD-CD2 4.05Å; M319-F369 HydrophobicContact SD-CG 4.31Å |
| 320 | P | 93.5 | Very high | 94.7 | Very high | 43 Ų | 43 | 68.8 Ų | 68.8 | 28% | 0.279 | 34% | 0.338 | S | S | . | . | trans | -71.6 | 144.2 | 177.8 | 29.1 | -34.6 | 0 | 0 | 0 | 111.5 | L322 F323 R325 K328 | P320-L322 PolarHBondContact O-N 3.4Å; P320-F323 WeakPolarHBondContact CB-O 3.44Å; P320-F323 VanDerWaalsContact CG-O 3.26Å; P320-F323 WeakPolarHBondContact CG-O 3.28Å; P320-R325 HydrophobicContact CG-CG 4.03Å; P320-R325 PolarHBondContact O-NE 3.08Å; P320-K328 HydrophobicContact CG-CB 4.3Å | ||
| 321 | S | 87.1 | Confident | 94.7 | Very high | 96 Ų | 96 | 71.4 Ų | 71.4 | 67% | 0.671 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -71.9 | -28.4 | -176.4 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | R325 | S321-R325 PolarHBondContact O-NH2 3.21Š|
| 322 | L | 81.6 | Confident | 94.6 | Very high | 130 Ų | 130 | 71.5 Ų | 71.5 | 68% | 0.681 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -123.5 | -59.7 | -169 | -65.9 | 170.4 | 0 | 0 | 0 | 114.5 | P320 | P320-L322 PolarHBondContact O-N 3.4Š|
| 323 | F | 87.7 | Confident | 94.6 | Very high | 182 Ų | 182 | 72.3 Ų | 72.3 | 80% | 0.798 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -129.4 | 158.5 | -173.1 | -61.7 | -79.4 | 0 | 0 | 0 | 112.4 | P320 | P320-F323 WeakPolarHBondContact CB-O 3.44Å; P320-F323 VanDerWaalsContact CG-O 3.26Å; P320-F323 WeakPolarHBondContact CG-O 3.28Å |
| 324 | G | 90.8 | Very high | 94.6 | Very high | 49 Ų | 49 | 78.8 Ų | 78.8 | 51% | 0.505 | 39% | 0.386 | S | S | . | . | trans | 79.4 | 17.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | E326 K328 | G324-E326 PolarHBondContact O-N 3.37Å; G324-K328 WeakPolarHBondContact O-CB 3.38Å; G324-K328 PolarHBondContact O-N 3.12Å | ||
| 325 | R | 92.5 | Very high | 94.6 | Very high | 103 Ų | 103 | 82.2 Ų | 82.2 | 39% | 0.389 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.2 | -46.7 | -176.2 | -67.8 | -176 | -170.7 | 165.5 | 9.2 | 113.4 | M319 P320 S321 K328 K329 | M319-R325 HydrophobicContact CE-CB 3.63Å; M319-R325 HydrophobicContact CE-CG 3.95Å; P320-R325 HydrophobicContact CG-CG 4.03Å; P320-R325 PolarHBondContact O-NE 3.08Å; S321-R325 PolarHBondContact O-NH2 3.21Å; R325-K328 PolarHBondContact O-N 2.76Å; R325-K329 WeakPolarHBondContact O-CB 3.39Å; R325-K329 PolarHBondContact O-N 3.03Å |
| 326 | E | 93.6 | Very high | 94.6 | Very high | 121 Ų | 121 | 82.2 Ų | 82.2 | 57% | 0.565 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.6 | -49.4 | -179.2 | -75.3 | -59.3 | 161.7 | 0 | 0 | 112.3 | G324 K328 K329 E330 | G324-E326 PolarHBondContact O-N 3.37Å; E326-K328 PolarHBondContact O-N 3.07Å; E326-K329 WeakPolarHBondContact O-CB 3.31Å; E326-K329 PolarHBondContact O-N 3.21Å; E326-E330 PolarHBondContact O-N 3.5Å |
| 327 | K | 95.2 | Very high | 94.6 | Very high | 166 Ų | 166 | 82 Ų | 82 | 72% | 0.722 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -57.8 | -38.8 | 176 | -171.3 | 177.3 | -179.4 | 179.3 | 0 | 111.9 | E331 | K327-E331 PolarHBondContact O-N 3.42Å; K327-E331 VanDerWaalsContact O-N 3.09Å |
| 328 | K | 96.7 | Very high | 94.6 | Very high | 43 Ų | 43 | 79.5 Ų | 79.5 | 19% | 0.187 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69 | -39.5 | 176.7 | -170.9 | 62.9 | 177.1 | 176.3 | 0 | 112.1 | M319 P320 G324 R325 E326 E331 L332 | M319-K328 HydrophobicContact SD-CG 4.4Å; P320-K328 HydrophobicContact CG-CB 4.3Å; G324-K328 WeakPolarHBondContact O-CB 3.38Å; G324-K328 PolarHBondContact O-N 3.12Å; R325-K328 PolarHBondContact O-N 2.76Å; E326-K328 PolarHBondContact O-N 3.07Å; K328-E331 VanDerWaalsContact CD-OE2 3.29Å; K328-E331 WeakPolarHBondContact CD-OE2 3.47Å; K328-E331 IonicContact NZ-OE1 3.99Å; K328-E331 PolarHBondContact NZ-OE1 3.46Å; K328-E331 IonicContact NZ-OE2 3.71Å; K328-E331 PolarHBondContact NZ-OE2 2.84Å; K328-E331 WeakPolarHBondContact O-CB 3.18Å; K328-E331 PolarHBondContact O-N 3.34Å; K328-L332 HydrophobicContact CD-CG 4.44Å; K328-L332 HydrophobicContact CG-CD1 4.03Å; K328-L332 HydrophobicContact CG-CG 4.29Å; K328-L332 WeakPolarHBondContact O-CB 3.49Å; K328-L332 VanDerWaalsContact O-CG 3.23Å; K328-L332 WeakPolarHBondContact O-CG 3.47Å; K328-L332 PolarHBondContact O-N 2.48Å |
| 329 | K | 96.6 | Very high | 94.7 | Very high | 26 Ų | 26 | 76.4 Ų | 76.4 | 11% | 0.113 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 174.6 | 172 | -176.5 | 166.7 | -176.5 | 0 | 111 | R325 E326 E331 L332 I333 Q365 Y367 F369 | R325-K329 WeakPolarHBondContact O-CB 3.39Å; R325-K329 PolarHBondContact O-N 3.03Å; E326-K329 WeakPolarHBondContact O-CB 3.31Å; E326-K329 PolarHBondContact O-N 3.21Å; K329-E331 VanDerWaalsContact C-N 3.34Å; K329-E331 PolarHBondContact O-N 3.01Å; K329-L332 PolarHBondContact O-N 3.22Å; K329-I333 HydrophobicContact CG-CD1 3.92Å; K329-I333 WeakPolarHBondContact O-CG1 3.21Å; K329-I333 PolarHBondContact O-N 3.14Å; K329-Q365 WeakPolarHBondContact CE-O 3.42Å; K329-Q365 PolarHBondContact NZ-O 3.44Å; K329-Y367 VanDerWaalsContact CE-O 3.23Å; K329-Y367 WeakPolarHBondContact CE-O 3.42Å; K329-Y367 PolarHBondContact NZ-O 3.14Å; K329-F369 HydrophobicContact CB-CD2 4.32Å; K329-F369 HydrophobicContact CB-CE2 4.48Å; K329-F369 HydrophobicContact CD-CD1 4.43Å; K329-F369 HydrophobicContact CG-CD1 4.29Å; K329-F369 HydrophobicContact CG-CD2 4.12Å; K329-F369 HydrophobicContact CG-CE1 4.18Å; K329-F369 HydrophobicContact CG-CE2 3.98Å; K329-F369 HydrophobicContact CG-CG 4.27Å; K329-F369 HydrophobicContact CG-CZ 4.03Å |
| 330 | E | 96.8 | Very high | 94.8 | Very high | 116 Ų | 116 | 76 Ų | 76 | 54% | 0.542 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.9 | -46.4 | 176.4 | -69.7 | 174.4 | 176.8 | 0 | 0 | 111.5 | E326 L332 I333 M334 | E326-E330 PolarHBondContact O-N 3.5Å; E330-L332 PolarHBondContact O-N 2.83Å; E330-I333 PolarHBondContact O-N 2.98Å; E330-M334 WeakPolarHBondContact O-CG 3.41Å; E330-M334 PolarHBondContact O-N 3.13Å |
| 331 | E | 97.6 | Very high | 94.9 | Very high | 72 Ų | 72 | 77.9 Ų | 77.9 | 34% | 0.336 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 175.5 | -171.1 | -153.1 | 138.2 | 0 | 0 | 111.8 | K327 K328 K329 M334 R335 | K327-E331 PolarHBondContact O-N 3.42Å; K327-E331 VanDerWaalsContact O-N 3.09Å; K328-E331 VanDerWaalsContact CD-OE2 3.29Å; K328-E331 WeakPolarHBondContact CD-OE2 3.47Å; K328-E331 IonicContact NZ-OE1 3.99Å; K328-E331 PolarHBondContact NZ-OE1 3.46Å; K328-E331 IonicContact NZ-OE2 3.71Å; K328-E331 PolarHBondContact NZ-OE2 2.84Å; K328-E331 WeakPolarHBondContact O-CB 3.18Å; K328-E331 PolarHBondContact O-N 3.34Å; K329-E331 VanDerWaalsContact C-N 3.34Å; K329-E331 PolarHBondContact O-N 3.01Å; E331-M334 PolarHBondContact O-N 2.86Å; E331-R335 WeakPolarHBondContact O-CB 3.49Å; E331-R335 VanDerWaalsContact O-CG 3.3Å; E331-R335 WeakPolarHBondContact O-CG 3.41Å; E331-R335 PolarHBondContact O-N 2.93Å; E331-R335 IonicContact OE1-CZ 3.02Å; E331-R335 IonicContact OE1-NH1 3.05Å; E331-R335 PolarHBondContact OE1-NH1 3.33Å |
| 332 | L | 97.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 76.2 Ų | 76.2 | 2% | 0.016 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.9 | -36.9 | -178.4 | -72.2 | 171.9 | 0 | 0 | 0 | 112.7 | L315 E318 M319 K328 K329 E330 R335 L336 I339 F369 | L315-L332 HydrophobicContact CD2-CB 3.88Å; L315-L332 HydrophobicContact CD2-CD1 4.26Å; L315-L332 HydrophobicContact CD2-CD2 4.5Å; L315-L332 HydrophobicContact CD2-CG 4.45Å; E318-L332 HydrophobicContact CB-CD1 3.88Å; E318-L332 HydrophobicContact CB-CD2 3.83Å; E318-L332 HydrophobicContact CB-CG 4.48Å; E318-L332 HydrophobicContact CG-CD2 4.16Å; M319-L332 HydrophobicContact SD-CD1 4.15Å; K328-L332 HydrophobicContact CD-CG 4.44Å; K328-L332 HydrophobicContact CG-CD1 4.03Å; K328-L332 HydrophobicContact CG-CG 4.29Å; K328-L332 WeakPolarHBondContact O-CB 3.49Å; K328-L332 VanDerWaalsContact O-CG 3.23Å; K328-L332 WeakPolarHBondContact O-CG 3.47Å; K328-L332 PolarHBondContact O-N 2.48Å; K329-L332 PolarHBondContact O-N 3.22Å; E330-L332 PolarHBondContact O-N 2.83Å; L332-R335 CarbonylContact O-C 3.52Å; L332-R335 PolarHBondContact O-N 3.21Å; L332-L336 PolarHBondContact O-N 3.2Å; L332-L336 VanDerWaalsContact O-N 3.15Å; L332-I339 HydrophobicContact CD2-CD1 4Å; L332-F369 HydrophobicContact CB-CE2 4.09Å; L332-F369 HydrophobicContact CD1-CD2 4.11Å; L332-F369 HydrophobicContact CD1-CE2 4.36Å |
| 333 | I | 97.8 | Very high | 96.2 | Very high | 16 Ų | 16 | 70.1 Ų | 70.1 | 8% | 0.082 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.7 | -45 | 174.8 | -69 | 172 | 0 | 0 | 0 | 109.9 | K329 E330 R335 L336 Q361 L364 Q365 F369 | K329-I333 HydrophobicContact CG-CD1 3.92Å; K329-I333 WeakPolarHBondContact O-CG1 3.21Å; K329-I333 PolarHBondContact O-N 3.14Å; E330-I333 PolarHBondContact O-N 2.98Å; I333-R335 VanDerWaalsContact C-N 3.3Å; I333-R335 PolarHBondContact O-N 3.29Å; I333-L336 VanDerWaalsContact O-CB 3.27Å; I333-L336 WeakPolarHBondContact O-CB 3.26Å; I333-L336 PolarHBondContact O-N 2.88Å; I333-Q361 HydrophobicContact CG2-CB 3.83Å; I333-Q361 HydrophobicContact CG2-CG 3.92Å; I333-Q361 WeakPolarHBondContact O-CG 3.43Å; I333-Q361 PolarHBondContact O-NE2 3.42Å; I333-L364 HydrophobicContact CD1-CB 4.2Å; I333-L364 HydrophobicContact CG1-CB 4.18Å; I333-Q365 HydrophobicContact CD1-CG 4.23Å; I333-F369 HydrophobicContact CD1-CZ 3.98Å; I333-F369 HydrophobicContact CG1-CE2 4.19Å; I333-F369 HydrophobicContact CG1-CZ 3.68Å |
| 334 | M | 97.6 | Very high | 96.6 | Very high | 144 Ų | 144 | 64.5 Ų | 64.5 | 71% | 0.709 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.2 | -39.1 | 176.4 | -70.9 | -170.4 | -175.9 | 0 | 0 | 111.9 | E330 E331 L336 P337 | E330-M334 WeakPolarHBondContact O-CG 3.41Å; E330-M334 PolarHBondContact O-N 3.13Å; E331-M334 PolarHBondContact O-N 2.86Å; M334-L336 VanDerWaalsContact C-N 3.26Å; M334-L336 PolarHBondContact O-N 3.43Å; M334-P337 WeakPolarHBondContact O-CD 3.34Å |
| 335 | R | 97.9 | Very high | 96.8 | Very high | 116 Ų | 116 | 71.2 Ų | 71.2 | 44% | 0.438 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 10.2 | -179.7 | -67.1 | 178.8 | 65.6 | -167 | -1.6 | 114.7 | E331 L332 I333 E338 I339 | E331-R335 WeakPolarHBondContact O-CB 3.49Å; E331-R335 VanDerWaalsContact O-CG 3.3Å; E331-R335 WeakPolarHBondContact O-CG 3.41Å; E331-R335 PolarHBondContact O-N 2.93Å; E331-R335 IonicContact OE1-CZ 3.02Å; E331-R335 IonicContact OE1-NH1 3.05Å; E331-R335 PolarHBondContact OE1-NH1 3.33Å; L332-R335 CarbonylContact O-C 3.52Å; L332-R335 PolarHBondContact O-N 3.21Å; I333-R335 VanDerWaalsContact C-N 3.3Å; I333-R335 PolarHBondContact O-N 3.29Å; R335-E338 WeakPolarHBondContact CA-OE2 3.31Å; R335-E338 PolarHBondContact O-N 3.31Å; R335-E338 VanDerWaalsContact O-OE2 3.06Å; R335-I339 VanDerWaalsContact O-CG1 3.27Å; R335-I339 WeakPolarHBondContact O-CG1 3.43Å; R335-I339 PolarHBondContact O-N 3.23Å |
| 336 | L | 98 | Very high | 97 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.3 | -39.5 | -178.8 | -163.3 | 66.5 | 0 | 0 | 0 | 113.9 | I311 L332 I333 M334 E338 I339 Y340 V357 M360 Q361 L364 | I311-L336 HydrophobicContact CG2-CD1 4.27Å; L332-L336 PolarHBondContact O-N 3.2Å; L332-L336 VanDerWaalsContact O-N 3.15Å; I333-L336 VanDerWaalsContact O-CB 3.27Å; I333-L336 WeakPolarHBondContact O-CB 3.26Å; I333-L336 PolarHBondContact O-N 2.88Å; M334-L336 VanDerWaalsContact C-N 3.26Å; M334-L336 PolarHBondContact O-N 3.43Å; L336-E338 VanDerWaalsContact C-N 3.34Å; L336-E338 PolarHBondContact O-N 3Å; L336-I339 PolarHBondContact O-N 3.33Å; L336-Y340 HydrophobicContact CD1-CD1 4.21Å; L336-Y340 HydrophobicContact CD1-CE1 3.62Å; L336-Y340 HydrophobicContact CD2-CE1 4.1Å; L336-Y340 HydrophobicContact CG-CD1 4.14Å; L336-Y340 HydrophobicContact CG-CE1 3.57Å; L336-Y340 VanDerWaalsContact O-CD1 3.28Å; L336-Y340 WeakPolarHBondContact O-CD1 3.27Å; L336-Y340 PolarHBondContact O-N 2.84Å; L336-V357 HydrophobicContact CB-CG1 4.35Å; L336-V357 HydrophobicContact CD2-CG1 4.29Å; L336-V357 HydrophobicContact CG-CG1 4.47Å; L336-M360 HydrophobicContact CD2-CB 3.8Å; L336-Q361 HydrophobicContact CB-CG 4.12Å; L336-Q361 HydrophobicContact CD2-CG 3.71Å; L336-L364 HydrophobicContact CD1-CD1 4.22Å; L336-L364 HydrophobicContact CD2-CD1 3.94Å |
| 337 | P | 97.8 | Very high | 97 | Very high | 51 Ų | 51 | 68.1 Ų | 68.1 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.1 | -44.3 | 173.9 | -17.7 | 25.8 | 0 | 0 | 0 | 113 | M334 Y340 I341 V357 | M334-P337 WeakPolarHBondContact O-CD 3.34Å; P337-Y340 PolarHBondContact O-N 3.42Å; P337-I341 PolarHBondContact O-N 3.31Å; P337-V357 HydrophobicContact CG-CG1 3.95Å |
| 338 | E | 97.8 | Very high | 96.9 | Very high | 100 Ų | 100 | 68.3 Ų | 68.3 | 47% | 0.467 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.7 | -37.3 | 178.7 | -62.5 | 81.1 | -178.9 | 0 | 0 | 111.6 | R335 L336 Y340 I341 T342 | R335-E338 WeakPolarHBondContact CA-OE2 3.31Å; R335-E338 PolarHBondContact O-N 3.31Å; R335-E338 VanDerWaalsContact O-OE2 3.06Å; L336-E338 VanDerWaalsContact C-N 3.34Å; L336-E338 PolarHBondContact O-N 3Å; E338-Y340 VanDerWaalsContact C-N 3.26Å; E338-Y340 PolarHBondContact O-N 3.14Å; E338-I341 PolarHBondContact O-N 3.37Å; E338-T342 PolarHBondContact O-N 3.26Å; E338-T342 PolarHBondContact O-OG1 3.26Å |
| 339 | I | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 174.5 | -67.7 | 167.9 | 0 | 0 | 0 | 110.1 | Y314 L315 L332 R335 L336 I341 T342 L343 | Y314-I339 HydrophobicContact CD1-CD1 4.19Å; Y314-I339 HydrophobicContact CD1-CG1 4.22Å; Y314-I339 HydrophobicContact CD1-CG2 3.6Å; Y314-I339 HydrophobicContact CE1-CB 4.39Å; Y314-I339 HydrophobicContact CE1-CD1 3.91Å; Y314-I339 HydrophobicContact CE1-CG1 3.71Å; Y314-I339 HydrophobicContact CE1-CG2 3.85Å; Y314-I339 HydrophobicContact CG-CG2 4.13Å; L315-I339 HydrophobicContact CD2-CD1 4.06Å; L332-I339 HydrophobicContact CD2-CD1 4Å; R335-I339 VanDerWaalsContact O-CG1 3.27Å; R335-I339 WeakPolarHBondContact O-CG1 3.43Å; R335-I339 PolarHBondContact O-N 3.23Å; L336-I339 PolarHBondContact O-N 3.33Å; I339-I341 VanDerWaalsContact C-N 3.35Å; I339-I341 PolarHBondContact O-N 3.08Å; I339-T342 PolarHBondContact O-N 2.96Å; I339-L343 HydrophobicContact CG2-CD1 3.94Å; I339-L343 HydrophobicContact CG2-CG 4.22Å; I339-L343 WeakPolarHBondContact O-CG 3.47Å; I339-L343 PolarHBondContact O-N 3.47Å |
| 340 | Y | 97.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 69.1 Ų | 69.1 | 6% | 0.059 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 178 | -77.3 | 18.6 | 0 | 0 | 0 | 111.4 | I311 L336 P337 E338 T342 L343 Q344 F354 P355 V357 M360 | I311-Y340 HydrophobicContact CD1-CD1 4.25Å; I311-Y340 HydrophobicContact CD1-CE1 3.45Å; I311-Y340 VanDerWaalsContact CD1-CE1 3.45Å; I311-Y340 HydrophobicContact CG1-CD1 4.28Å; I311-Y340 HydrophobicContact CG1-CE1 3.77Å; I311-Y340 HydrophobicContact CG2-CE1 4.3Å; L336-Y340 HydrophobicContact CD1-CD1 4.21Å; L336-Y340 HydrophobicContact CD1-CE1 3.62Å; L336-Y340 HydrophobicContact CD2-CE1 4.1Å; L336-Y340 HydrophobicContact CG-CD1 4.14Å; L336-Y340 HydrophobicContact CG-CE1 3.57Å; L336-Y340 VanDerWaalsContact O-CD1 3.28Å; L336-Y340 WeakPolarHBondContact O-CD1 3.27Å; L336-Y340 PolarHBondContact O-N 2.84Å; P337-Y340 PolarHBondContact O-N 3.42Å; E338-Y340 VanDerWaalsContact C-N 3.26Å; E338-Y340 PolarHBondContact O-N 3.14Å; Y340-T342 VanDerWaalsContact C-N 3.32Å; Y340-T342 PolarHBondContact O-N 2.9Å; Y340-L343 PolarHBondContact O-N 3.03Å; Y340-Q344 VanDerWaalsContact O-CB 3.25Å; Y340-Q344 WeakPolarHBondContact O-CB 3.28Å; Y340-Q344 PolarHBondContact O-N 2.79Å; Y340-F354 AromaticContact CD1-CD1 3.93Å; Y340-F354 HydrophobicContact CD1-CD1 3.93Å; Y340-F354 HydrophobicContact CD1-CE1 4.11Å; Y340-F354 HydrophobicContact CD2-CB 3.86Å; Y340-F354 AromaticContact CD2-CD1 3.39Å; Y340-F354 HydrophobicContact CD2-CD1 3.39Å; Y340-F354 HydrophobicContact CD2-CE1 4.23Å; Y340-F354 AromaticContact CD2-CG 3.9Å; Y340-F354 HydrophobicContact CD2-CG 3.9Å; Y340-F354 HydrophobicContact CE1-CD1 4.31Å; Y340-F354 HydrophobicContact CE2-CB 4.01Å; Y340-F354 AromaticContact CE2-CD1 3.83Å; Y340-F354 HydrophobicContact CE2-CD1 3.83Å; Y340-F354 HydrophobicContact CE2-CG 4.36Å; Y340-F354 AromaticContact CG-CD1 3.46Å; Y340-F354 HydrophobicContact CG-CD1 3.46Å; Y340-F354 VanDerWaalsContact CG-CD1 3.46Å; Y340-F354 AromaticContact CG-CE1 3.84Å; Y340-F354 HydrophobicContact CG-CE1 3.84Å; Y340-F354 HydrophobicContact CG-CG 4.32Å; Y340-P355 HydrophobicContact CE2-CG 4.39Å; Y340-P355 WeakPolarHBondContact CE2-O 3.24Å; Y340-V357 HydrophobicContact CD2-CG2 3.74Å; Y340-V357 HydrophobicContact CE2-CG2 3.62Å; Y340-M360 WeakPolarHBondContact OH-CB 3.47Å; Y340-M360 WeakPolarHBondContact OH-CG 3.44Å |
| 341 | I | 97.1 | Very high | 96.1 | Very high | 82 Ų | 82 | 67.5 Ų | 67.5 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 176.9 | -63.3 | 168.5 | 0 | 0 | 0 | 111.1 | P337 E338 I339 Q344 R345 | P337-I341 PolarHBondContact O-N 3.31Å; E338-I341 PolarHBondContact O-N 3.37Å; I339-I341 VanDerWaalsContact C-N 3.35Å; I339-I341 PolarHBondContact O-N 3.08Å; I341-Q344 WeakPolarHBondContact O-CB 3.47Å; I341-Q344 PolarHBondContact O-N 3.06Å; I341-R345 WeakPolarHBondContact O-CG 3.42Å; I341-R345 PolarHBondContact O-N 3.48Å |
| 342 | T | 97.5 | Very high | 95.5 | Very high | 61 Ų | 61 | 67.3 Ų | 67.3 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.8 | -52.2 | 175.3 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | E338 I339 Y340 Q344 R345 E346 | E338-T342 PolarHBondContact O-N 3.26Å; E338-T342 PolarHBondContact O-OG1 3.26Å; I339-T342 PolarHBondContact O-N 2.96Å; Y340-T342 VanDerWaalsContact C-N 3.32Å; Y340-T342 PolarHBondContact O-N 2.9Å; T342-Q344 VanDerWaalsContact C-N 3.27Å; T342-Q344 PolarHBondContact O-N 3.25Å; T342-R345 PolarHBondContact O-N 3.21Å; T342-R345 VanDerWaalsContact O-N 3.14Å; T342-E346 WeakPolarHBondContact O-CB 3.42Å; T342-E346 PolarHBondContact O-N 3.37Å |
| 343 | L | 97.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.2 | -35.8 | 180 | -67.9 | 178.5 | 0 | 0 | 0 | 112.1 | I311 Y314 I339 Y340 R345 H347 F354 | I311-L343 HydrophobicContact CB-CD1 4.41Å; I311-L343 HydrophobicContact CG1-CD1 3.77Å; Y314-L343 HydrophobicContact CD2-CD2 3.93Å; Y314-L343 HydrophobicContact CG-CD2 4.29Å; I339-L343 HydrophobicContact CG2-CD1 3.94Å; I339-L343 HydrophobicContact CG2-CG 4.22Å; I339-L343 WeakPolarHBondContact O-CG 3.47Å; I339-L343 PolarHBondContact O-N 3.47Å; Y340-L343 PolarHBondContact O-N 3.03Å; L343-R345 VanDerWaalsContact C-N 3.33Å; L343-R345 PolarHBondContact O-N 3.13Å; L343-H347 WeakPolarHBondContact O-CB 3.47Å; L343-H347 PolarHBondContact O-N 2.9Å; L343-F354 HydrophobicContact CB-CE1 4.23Å; L343-F354 HydrophobicContact CB-CZ 4.1Å |
| 344 | Q | 96.3 | Very high | 95 | Very high | 65 Ų | 65 | 69.6 Ų | 69.6 | 30% | 0.304 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58 | -46.4 | 175.4 | -168.3 | -161 | -16.5 | 0 | 0 | 111.2 | Y340 I341 T342 H348 I349 P351 F354 | Y340-Q344 VanDerWaalsContact O-CB 3.25Å; Y340-Q344 WeakPolarHBondContact O-CB 3.28Å; Y340-Q344 PolarHBondContact O-N 2.79Å; I341-Q344 WeakPolarHBondContact O-CB 3.47Å; I341-Q344 PolarHBondContact O-N 3.06Å; T342-Q344 VanDerWaalsContact C-N 3.27Å; T342-Q344 PolarHBondContact O-N 3.25Å; Q344-H348 VanDerWaalsContact O-CA 3.26Å; Q344-H348 WeakPolarHBondContact O-CA 3.41Å; Q344-H348 PolarHBondContact O-N 3.19Å; Q344-I349 WeakPolarHBondContact CG-O 3.48Å; Q344-I349 PolarHBondContact O-N 2.92Å; Q344-I349 VanDerWaalsContact O-N 3.11Å; Q344-P351 VanDerWaalsContact NE2-CG 3.33Å; Q344-F354 HydrophobicContact CB-CE2 4.08Å; Q344-F354 HydrophobicContact CB-CZ 4.21Å; Q344-F354 HydrophobicContact CG-CE2 4.3Å |
| 345 | R | 95.6 | Very high | 94.7 | Very high | 189 Ų | 189 | 63.6 Ų | 63.6 | 71% | 0.713 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -72.8 | -44.6 | -179.7 | -68.4 | 177.2 | -174.9 | -178.6 | 2.3 | 112.1 | I341 T342 L343 | I341-R345 WeakPolarHBondContact O-CG 3.42Å; I341-R345 PolarHBondContact O-N 3.48Å; T342-R345 PolarHBondContact O-N 3.21Å; T342-R345 VanDerWaalsContact O-N 3.14Å; L343-R345 VanDerWaalsContact C-N 3.33Å; L343-R345 PolarHBondContact O-N 3.13Å |
| 346 | E | 95.5 | Very high | 94.4 | Very high | 108 Ų | 108 | 62.6 Ų | 62.6 | 51% | 0.505 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.7 | -35.4 | -175.7 | -172.1 | 176.2 | 166.2 | 0 | 0 | 112.5 | T342 | T342-E346 WeakPolarHBondContact O-CB 3.42Å; T342-E346 PolarHBondContact O-N 3.37Å |
| 347 | H | 94.1 | Very high | 94.2 | Very high | 51 Ų | 51 | 64.4 Ų | 64.4 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -112.2 | 5.7 | -175.4 | -58.8 | -47.5 | 0 | 0 | 0 | 114 | Y310 L343 I349 | Y310-H347 AromaticContact CD1-CD2 3.64Å; Y310-H347 AromaticContact CD1-CE1 3.99Å; Y310-H347 AromaticContact CD1-NE2 3.45Å; Y310-H347 WeakPolarHBondContact CD1-NE2 3.29Å; Y310-H347 AromaticContact CD2-CD2 3.98Å; Y310-H347 AromaticContact CE1-CD2 3.92Å; Y310-H347 AromaticContact CE1-CE1 3.84Å; Y310-H347 AromaticContact CE1-ND1 4Å; Y310-H347 AromaticContact CE1-NE2 3.77Å; Y310-H347 HydrophobicContact CE2-CB 4.26Å; Y310-H347 AromaticContact CG-CD2 3.67Å; Y310-H347 AromaticContact CG-NE2 3.93Å; L343-H347 WeakPolarHBondContact O-CB 3.47Å; L343-H347 PolarHBondContact O-N 2.9Å; H347-I349 VanDerWaalsContact C-N 3.35Å; H347-I349 HydrophobicContact CB-CD1 3.66Å; H347-I349 HydrophobicContact CB-CG1 3.78Å; H347-I349 PolarHBondContact O-N 2.86Å |
| 348 | H | 93.3 | Very high | 93.9 | Very high | 171 Ų | 171 | 65.9 Ų | 65.9 | 79% | 0.792 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 45.5 | 179.8 | -53.3 | -67.2 | 0 | 0 | 0 | 113.8 | Q344 | Q344-H348 VanDerWaalsContact O-CA 3.26Å; Q344-H348 WeakPolarHBondContact O-CA 3.41Å; Q344-H348 PolarHBondContact O-N 3.19Å |
| 349 | I | 93.1 | Very high | 93.5 | Very high | 23 Ų | 23 | 65 Ų | 65 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | trans | -94.9 | 147.6 | -176.3 | -54.6 | 170.6 | 0 | 0 | 0 | 110.4 | V307 Y310 Q344 H347 D353 F354 | V307-I349 HydrophobicContact CG2-CD1 4.03Å; V307-I349 HydrophobicContact CG2-CG2 3.65Å; Y310-I349 HydrophobicContact CD2-CD1 3.69Å; Y310-I349 HydrophobicContact CE2-CD1 3.89Å; Q344-I349 WeakPolarHBondContact CG-O 3.48Å; Q344-I349 PolarHBondContact O-N 2.92Å; Q344-I349 VanDerWaalsContact O-N 3.11Å; H347-I349 VanDerWaalsContact C-N 3.35Å; H347-I349 HydrophobicContact CB-CD1 3.66Å; H347-I349 HydrophobicContact CB-CG1 3.78Å; H347-I349 PolarHBondContact O-N 2.86Å; I349-D353 HydrophobicContact CG2-CB 3.87Å; I349-F354 HydrophobicContact CB-CE2 3.95Å; I349-F354 HydrophobicContact CB-CZ 4.41Å; I349-F354 HydrophobicContact CG2-CD2 4.36Å; I349-F354 HydrophobicContact CG2-CE2 3.79Å; I349-F354 HydrophobicContact CG2-CZ 4.49Å | ||
| 350 | S | 91.4 | Very high | 93.4 | Very high | 62 Ų | 62 | 64.9 Ų | 64.9 | 43% | 0.434 | 35% | 0.345 | S | S | . | . | trans | -72 | 140.7 | 173.6 | -177.5 | 0 | 0 | 0 | 0 | 111 | G352 D353 F354 | S350-G352 PolarHBondContact O-N 3.31Å; S350-G352 VanDerWaalsContact O-N 3.12Å; S350-G352 PolarHBondContact OG-N 3.19Å; S350-D353 PolarHBondContact O-N 3.33Å; S350-F354 WeakPolarHBondContact O-CD2 3.26Å | ||
| 351 | P | 88.5 | Confident | 93.4 | Very high | 83 Ų | 83 | 66 Ų | 66 | 54% | 0.539 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -53 | -32.2 | 171.4 | -23.8 | 31.6 | 0 | 0 | 0 | 113.4 | Q344 D353 F354 | Q344-P351 VanDerWaalsContact NE2-CG 3.33Å; P351-D353 VanDerWaalsContact C-N 3.26Å; P351-D353 PolarHBondContact O-N 2.85Å; P351-F354 PolarHBondContact O-N 3.5Å |
| 352 | G | 86.4 | Confident | 93.3 | Very high | 68 Ų | 68 | 66 Ų | 66 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -70.7 | -17 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S350 F354 | S350-G352 PolarHBondContact O-N 3.31Å; S350-G352 VanDerWaalsContact O-N 3.12Å; S350-G352 PolarHBondContact OG-N 3.19Å; G352-F354 VanDerWaalsContact C-N 3.31Å |
| 353 | D | 90.2 | Very high | 93.2 | Very high | 39 Ų | 39 | 64.7 Ų | 64.7 | 21% | 0.209 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -84.1 | -9.7 | 176.8 | -63 | -37.9 | 0 | 0 | 0 | 112 | V307 I349 S350 P351 | V307-D353 HydrophobicContact CG2-CB 3.95Å; I349-D353 HydrophobicContact CG2-CB 3.87Å; S350-D353 PolarHBondContact O-N 3.33Å; P351-D353 VanDerWaalsContact C-N 3.26Å; P351-D353 PolarHBondContact O-N 2.85Å |
| 354 | F | 93.5 | Very high | 93.1 | Very high | 27 Ų | 27 | 64.6 Ų | 64.6 | 12% | 0.118 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -80.9 | 139.3 | 179.5 | -76 | -97.5 | 0 | 0 | 0 | 112.1 | V307 I311 Y340 L343 Q344 I349 S350 P351 G352 | V307-F354 HydrophobicContact CG1-CD1 3.52Å; V307-F354 HydrophobicContact CG1-CD2 4.45Å; V307-F354 HydrophobicContact CG1-CE1 3.72Å; V307-F354 HydrophobicContact CG1-CG 3.93Å; V307-F354 HydrophobicContact CG1-CZ 4.28Å; I311-F354 HydrophobicContact CD1-CD1 4.27Å; Y340-F354 AromaticContact CD1-CD1 3.93Å; Y340-F354 HydrophobicContact CD1-CD1 3.93Å; Y340-F354 HydrophobicContact CD1-CE1 4.11Å; Y340-F354 HydrophobicContact CD2-CB 3.86Å; Y340-F354 AromaticContact CD2-CD1 3.39Å; Y340-F354 HydrophobicContact CD2-CD1 3.39Å; Y340-F354 HydrophobicContact CD2-CE1 4.23Å; Y340-F354 AromaticContact CD2-CG 3.9Å; Y340-F354 HydrophobicContact CD2-CG 3.9Å; Y340-F354 HydrophobicContact CE1-CD1 4.31Å; Y340-F354 HydrophobicContact CE2-CB 4.01Å; Y340-F354 AromaticContact CE2-CD1 3.83Å; Y340-F354 HydrophobicContact CE2-CD1 3.83Å; Y340-F354 HydrophobicContact CE2-CG 4.36Å; Y340-F354 AromaticContact CG-CD1 3.46Å; Y340-F354 HydrophobicContact CG-CD1 3.46Å; Y340-F354 VanDerWaalsContact CG-CD1 3.46Å; Y340-F354 AromaticContact CG-CE1 3.84Å; Y340-F354 HydrophobicContact CG-CE1 3.84Å; Y340-F354 HydrophobicContact CG-CG 4.32Å; L343-F354 HydrophobicContact CB-CE1 4.23Å; L343-F354 HydrophobicContact CB-CZ 4.1Å; Q344-F354 HydrophobicContact CB-CE2 4.08Å; Q344-F354 HydrophobicContact CB-CZ 4.21Å; Q344-F354 HydrophobicContact CG-CE2 4.3Å; I349-F354 HydrophobicContact CB-CE2 3.95Å; I349-F354 HydrophobicContact CB-CZ 4.41Å; I349-F354 HydrophobicContact CG2-CD2 4.36Å; I349-F354 HydrophobicContact CG2-CE2 3.79Å; I349-F354 HydrophobicContact CG2-CZ 4.49Å; S350-F354 WeakPolarHBondContact O-CD2 3.26Å; P351-F354 PolarHBondContact O-N 3.5Å; G352-F354 VanDerWaalsContact C-N 3.31Å |
| 355 | P | 92.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 66.6 Ų | 66.6 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 165.8 | 173.3 | 29.3 | -35.7 | 0 | 0 | 0 | 111.6 | L304 I311 Y340 V357 M360 | L304-P355 HydrophobicContact CD1-CB 4.21Å; L304-P355 HydrophobicContact CD1-CG 4.47Å; I311-P355 HydrophobicContact CD1-CG 4.1Å; Y340-P355 HydrophobicContact CE2-CG 4.39Å; Y340-P355 WeakPolarHBondContact CE2-O 3.24Å; P355-V357 PolarHBondContact O-N 3.15Å; P355-M360 HydrophobicContact CB-CG 3.79Å; P355-M360 HydrophobicContact CB-SD 4.39Å; P355-M360 HydrophobicContact CG-CG 3.59Å; P355-M360 HydrophobicContact CG-SD 4.1Å |
| 356 | N | 90.1 | Very high | 93.1 | Very high | 95 Ų | 95 | 65 Ų | 65 | 51% | 0.508 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -62 | 126.2 | 174.3 | 179.1 | -86.6 | 0 | 0 | 0 | 110.7 | T358 K359 M360 | N356-T358 WeakPolarHBondContact OD1-CB 3.43Å; N356-T358 PolarHBondContact OD1-N 3.43Å; N356-T358 VanDerWaalsContact OD1-N 3.13Å; N356-K359 HydrophobicContact CB-CB 4.15Å; N356-K359 PolarHBondContact O-N 2.88Å; N356-K359 PolarHBondContact OD1-N 3.22Å; N356-M360 PolarHBondContact O-N 2.9Å |
| 357 | V | 93.8 | Very high | 93.2 | Very high | 37 Ų | 37 | 62.7 Ų | 62.7 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.8 | -49.8 | -175.2 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | L336 P337 Y340 P355 K359 M360 Q361 | L336-V357 HydrophobicContact CB-CG1 4.35Å; L336-V357 HydrophobicContact CD2-CG1 4.29Å; L336-V357 HydrophobicContact CG-CG1 4.47Å; P337-V357 HydrophobicContact CG-CG1 3.95Å; Y340-V357 HydrophobicContact CD2-CG2 3.74Å; Y340-V357 HydrophobicContact CE2-CG2 3.62Å; P355-V357 PolarHBondContact O-N 3.15Å; V357-K359 PolarHBondContact O-N 3.2Å; V357-M360 PolarHBondContact O-N 3.43Å; V357-Q361 HydrophobicContact CG1-CG 4.22Å; V357-Q361 WeakPolarHBondContact O-CG 3.14Å; V357-Q361 PolarHBondContact O-N 3.3Å |
| 358 | T | 92.8 | Very high | 93.2 | Very high | 83 Ų | 83 | 63.4 Ų | 63.4 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.1 | -47.8 | -178.2 | -49.1 | 0 | 0 | 0 | 0 | 111.2 | N356 M360 Q361 D362 | N356-T358 WeakPolarHBondContact OD1-CB 3.43Å; N356-T358 PolarHBondContact OD1-N 3.43Å; N356-T358 VanDerWaalsContact OD1-N 3.13Å; T358-M360 VanDerWaalsContact C-N 3.3Å; T358-M360 PolarHBondContact O-N 3.19Å; T358-Q361 WeakPolarHBondContact O-CB 3.36Å; T358-Q361 PolarHBondContact O-N 3.23Å; T358-Q361 VanDerWaalsContact O-N 3.15Å; T358-D362 PolarHBondContact O-N 3.03Å |
| 359 | K | 89.9 | Confident | 93.4 | Very high | 81 Ų | 81 | 55.2 Ų | 55.2 | 35% | 0.352 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 176.3 | -167.9 | -178.4 | 175.1 | 169.4 | 0 | 111.4 | N356 V357 D362 M363 | N356-K359 HydrophobicContact CB-CB 4.15Å; N356-K359 PolarHBondContact O-N 2.88Å; N356-K359 PolarHBondContact OD1-N 3.22Å; V357-K359 PolarHBondContact O-N 3.2Å; K359-D362 PolarHBondContact O-N 3.44Å; K359-M363 HydrophobicContact CD-CE 4.28Å; K359-M363 HydrophobicContact CG-CE 3.84Å; K359-M363 HydrophobicContact CG-SD 4.32Å; K359-M363 VanDerWaalsContact O-CG 3.29Å; K359-M363 WeakPolarHBondContact O-CG 3.41Å; K359-M363 PolarHBondContact O-N 3.28Å |
| 360 | M | 95.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.9 | -40 | 177 | -80.6 | -69.4 | -58.2 | 0 | 0 | 112.6 | F46 I311 L336 Y340 P355 N356 V357 T358 M363 L364 | F46-M360 HydrophobicContact CB-SD 4.37Å; F46-M360 HydrophobicContact CD1-CE 3.96Å; F46-M360 HydrophobicContact CD1-SD 3.82Å; F46-M360 HydrophobicContact CE1-CE 4.31Å; F46-M360 HydrophobicContact CG-SD 4.47Å; I311-M360 HydrophobicContact CG2-CE 4.25Å; L336-M360 HydrophobicContact CD2-CB 3.8Å; Y340-M360 WeakPolarHBondContact OH-CB 3.47Å; Y340-M360 WeakPolarHBondContact OH-CG 3.44Å; P355-M360 HydrophobicContact CB-CG 3.79Å; P355-M360 HydrophobicContact CB-SD 4.39Å; P355-M360 HydrophobicContact CG-CG 3.59Å; P355-M360 HydrophobicContact CG-SD 4.1Å; N356-M360 PolarHBondContact O-N 2.9Å; V357-M360 PolarHBondContact O-N 3.43Å; T358-M360 VanDerWaalsContact C-N 3.3Å; T358-M360 PolarHBondContact O-N 3.19Å; M360-M363 HydrophobicContact CG-CE 4.24Å; M360-M363 PolarHBondContact O-N 3.21Å; M360-M363 HydrophobicContact SD-CE 3.67Å; M360-L364 HydrophobicContact CE-CD1 4.21Å; M360-L364 HydrophobicContact CE-CG 4.31Å; M360-L364 VanDerWaalsContact O-CB 3.25Å; M360-L364 WeakPolarHBondContact O-CB 3.49Å; M360-L364 WeakPolarHBondContact O-CD1 3.25Å; M360-L364 WeakPolarHBondContact O-CG 3.29Å; M360-L364 PolarHBondContact O-N 3.27Å |
| 361 | Q | 97.3 | Very high | 93.5 | Very high | 38 Ų | 38 | 60.3 Ų | 60.3 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 175.8 | -74 | 174.4 | -45.5 | 0 | 0 | 110.7 | I333 L336 V357 T358 L364 Q365 | I333-Q361 HydrophobicContact CG2-CB 3.83Å; I333-Q361 HydrophobicContact CG2-CG 3.92Å; I333-Q361 WeakPolarHBondContact O-CG 3.43Å; I333-Q361 PolarHBondContact O-NE2 3.42Å; L336-Q361 HydrophobicContact CB-CG 4.12Å; L336-Q361 HydrophobicContact CD2-CG 3.71Å; V357-Q361 HydrophobicContact CG1-CG 4.22Å; V357-Q361 WeakPolarHBondContact O-CG 3.14Å; V357-Q361 PolarHBondContact O-N 3.3Å; T358-Q361 WeakPolarHBondContact O-CB 3.36Å; T358-Q361 PolarHBondContact O-N 3.23Å; T358-Q361 VanDerWaalsContact O-N 3.15Å; Q361-L364 PolarHBondContact O-N 3.05Å; Q361-Q365 WeakPolarHBondContact O-CG 3.41Å; Q361-Q365 PolarHBondContact O-N 3.19Å |
| 362 | D | 94.9 | Very high | 94 | Very high | 84 Ų | 84 | 56.7 Ų | 56.7 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 178.8 | -66 | -18.5 | 0 | 0 | 0 | 111.3 | T358 K359 L364 Q365 | T358-D362 PolarHBondContact O-N 3.03Å; K359-D362 PolarHBondContact O-N 3.44Å; D362-L364 PolarHBondContact O-N 3.26Å; D362-Q365 WeakPolarHBondContact O-CB 3.43Å; D362-Q365 PolarHBondContact O-N 3.16Å |
| 363 | M | 94.3 | Very high | 94.5 | Very high | 33 Ų | 33 | 54.7 Ų | 54.7 | 16% | 0.163 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 179.1 | -69.3 | -174.8 | -61.8 | 0 | 0 | 112.1 | F46 K359 M360 Q365 H366 Y367 | F46-M363 HydrophobicContact CB-CE 4.04Å; F46-M363 HydrophobicContact CB-SD 4.28Å; F46-M363 HydrophobicContact CD1-CB 3.71Å; F46-M363 HydrophobicContact CD1-CE 3.98Å; F46-M363 HydrophobicContact CD1-SD 4.28Å; F46-M363 HydrophobicContact CE1-CB 3.87Å; F46-M363 HydrophobicContact CG-CE 4.5Å; F46-M363 WeakPolarHBondContact O-CE 3.47Å; K359-M363 HydrophobicContact CD-CE 4.28Å; K359-M363 HydrophobicContact CG-CE 3.84Å; K359-M363 HydrophobicContact CG-SD 4.32Å; K359-M363 VanDerWaalsContact O-CG 3.29Å; K359-M363 WeakPolarHBondContact O-CG 3.41Å; K359-M363 PolarHBondContact O-N 3.28Å; M360-M363 HydrophobicContact CG-CE 4.24Å; M360-M363 PolarHBondContact O-N 3.21Å; M360-M363 HydrophobicContact SD-CE 3.67Å; M363-Q365 PolarHBondContact O-N 2.9Å; M363-H366 PolarHBondContact O-N 3.44Å; M363-Y367 VanDerWaalsContact O-CD2 3.22Å; M363-Y367 WeakPolarHBondContact O-CD2 3.46Å; M363-Y367 WeakPolarHBondContact O-CE2 3.15Å |
| 364 | L | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.2 | -23 | -178.8 | -76.4 | 169.6 | 0 | 0 | 0 | 113.5 | F46 I312 L315 I333 L336 M360 Q361 D362 H366 Y367 F369 F372 | F46-L364 HydrophobicContact CE1-CD2 3.69Å; F46-L364 HydrophobicContact CE1-CG 3.98Å; F46-L364 HydrophobicContact CZ-CD2 3.96Å; I312-L364 HydrophobicContact CD1-CD2 4.12Å; L315-L364 HydrophobicContact CD1-CD1 3.8Å; L315-L364 HydrophobicContact CD1-CD2 3.73Å; L315-L364 HydrophobicContact CD1-CG 4.44Å; I333-L364 HydrophobicContact CD1-CB 4.2Å; I333-L364 HydrophobicContact CG1-CB 4.18Å; L336-L364 HydrophobicContact CD1-CD1 4.22Å; L336-L364 HydrophobicContact CD2-CD1 3.94Å; M360-L364 HydrophobicContact CE-CD1 4.21Å; M360-L364 HydrophobicContact CE-CG 4.31Å; M360-L364 VanDerWaalsContact O-CB 3.25Å; M360-L364 WeakPolarHBondContact O-CB 3.49Å; M360-L364 WeakPolarHBondContact O-CD1 3.25Å; M360-L364 WeakPolarHBondContact O-CG 3.29Å; M360-L364 PolarHBondContact O-N 3.27Å; Q361-L364 PolarHBondContact O-N 3.05Å; D362-L364 PolarHBondContact O-N 3.26Å; L364-H366 PolarHBondContact O-N 2.85Å; L364-Y367 PolarHBondContact O-N 3.25Å; L364-F369 HydrophobicContact CB-CE1 3.96Å; L364-F369 HydrophobicContact CB-CZ 3.93Å; L364-F369 HydrophobicContact CD1-CZ 4.35Å; L364-F369 HydrophobicContact CD2-CE1 3.76Å; L364-F369 HydrophobicContact CD2-CZ 3.97Å; L364-F369 HydrophobicContact CG-CE1 4.39Å; L364-F369 HydrophobicContact CG-CZ 4.31Å; L364-F369 WeakPolarHBondContact O-CE1 3.41Å; L364-F372 HydrophobicContact CD2-CE2 4.1Å; L364-F372 HydrophobicContact CD2-CZ 3.96Å |
| 365 | Q | 96 | Very high | 95 | Very high | 107 Ų | 107 | 58.5 Ų | 58.5 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.3 | -31.2 | 176.4 | -66.7 | -177 | 12 | 0 | 0 | 112.1 | K329 I333 Q361 D362 M363 Y367 | K329-Q365 WeakPolarHBondContact CE-O 3.42Å; K329-Q365 PolarHBondContact NZ-O 3.44Å; I333-Q365 HydrophobicContact CD1-CG 4.23Å; Q361-Q365 WeakPolarHBondContact O-CG 3.41Å; Q361-Q365 PolarHBondContact O-N 3.19Å; D362-Q365 WeakPolarHBondContact O-CB 3.43Å; D362-Q365 PolarHBondContact O-N 3.16Å; M363-Q365 PolarHBondContact O-N 2.9Å; Q365-Y367 VanDerWaalsContact C-N 3.32Å; Q365-Y367 PolarHBondContact O-N 3.25Å |
| 366 | H | 95.4 | Very high | 95.2 | Very high | 156 Ų | 156 | 62.5 Ų | 62.5 | 72% | 0.722 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -0.5 | -175.6 | -56.7 | -59.9 | 0 | 0 | 0 | 114.4 | M363 L364 | M363-H366 PolarHBondContact O-N 3.44Å; L364-H366 PolarHBondContact O-N 2.85Å |
| 367 | Y | 96.2 | Very high | 95.5 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -111.2 | 150.2 | -176.7 | -70.2 | -93.5 | 0 | 0 | 0 | 113.1 | L42 D45 F46 K329 M363 L364 Q365 F372 | L42-Y367 HydrophobicContact CD1-CD1 4.29Å; L42-Y367 HydrophobicContact CD1-CE1 4.16Å; D45-Y367 WeakPolarHBondContact CB-OH 3.49Å; F46-Y367 HydrophobicContact CE1-CD2 4.12Å; F46-Y367 HydrophobicContact CE1-CE2 4.06Å; F46-Y367 HydrophobicContact CE2-CD1 4.46Å; F46-Y367 HydrophobicContact CE2-CD2 4.26Å; F46-Y367 HydrophobicContact CE2-CE1 4.12Å; F46-Y367 AromaticContact CE2-CE2 3.91Å; F46-Y367 HydrophobicContact CE2-CE2 3.91Å; F46-Y367 AromaticContact CE2-CZ 3.86Å; F46-Y367 HydrophobicContact CZ-CD1 4.3Å; F46-Y367 AromaticContact CZ-CD2 3.51Å; F46-Y367 HydrophobicContact CZ-CD2 3.51Å; F46-Y367 HydrophobicContact CZ-CE1 4.3Å; F46-Y367 AromaticContact CZ-CE2 3.5Å; F46-Y367 HydrophobicContact CZ-CE2 3.5Å; F46-Y367 AromaticContact CZ-CG 3.94Å; F46-Y367 HydrophobicContact CZ-CG 3.94Å; F46-Y367 AromaticContact CZ-CZ 3.93Å; K329-Y367 VanDerWaalsContact CE-O 3.23Å; K329-Y367 WeakPolarHBondContact CE-O 3.42Å; K329-Y367 PolarHBondContact NZ-O 3.14Å; M363-Y367 VanDerWaalsContact O-CD2 3.22Å; M363-Y367 WeakPolarHBondContact O-CD2 3.46Å; M363-Y367 WeakPolarHBondContact O-CE2 3.15Å; L364-Y367 PolarHBondContact O-N 3.25Å; Q365-Y367 VanDerWaalsContact C-N 3.32Å; Q365-Y367 PolarHBondContact O-N 3.25Å; Y367-F372 AromaticContact CD1-CE1 3.99Å; Y367-F372 HydrophobicContact CD1-CE1 3.99Å; Y367-F372 HydrophobicContact CD1-CZ 4.5Å; Y367-F372 HydrophobicContact CG-CE1 4.08Å; Y367-F372 HydrophobicContact CG-CZ 4.13Å |
| 368 | D | 94.9 | Very high | 95.7 | Very high | 65 Ų | 65 | 69 Ų | 69 | 35% | 0.348 | 34% | 0.339 | S | S | . | . | trans | -92.3 | 107.6 | 169 | 175.8 | -0.8 | 0 | 0 | 0 | 109.3 | S370 K371 | D368-S370 VanDerWaalsContact CG-OG 3.23Å; D368-S370 PolarHBondContact O-N 2.77Å; D368-S370 VanDerWaalsContact O-N 3.13Å; D368-S370 VanDerWaalsContact OD1-CB 3.28Å; D368-S370 WeakPolarHBondContact OD1-CB 3.2Å; D368-S370 PolarHBondContact OD1-N 3.13Å; D368-S370 PolarHBondContact OD1-OG 3.02Å; D368-S370 PolarHBondContact OD2-OG 3.36Å; D368-K371 HydrophobicContact CB-CD 4.14Å; D368-K371 HydrophobicContact CB-CG 4.24Å; D368-K371 WeakPolarHBondContact O-CB 3.49Å; D368-K371 PolarHBondContact O-N 3.34Å; D368-K371 WeakPolarHBondContact OD2-CE 3.34Å | ||
| 369 | F | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -65 | -19.7 | -176.2 | -69.8 | 12.3 | 0 | 0 | 0 | 112.7 | L315 M319 K329 L332 I333 L364 K371 F372 | L315-F369 HydrophobicContact CB-CD2 3.97Å; L315-F369 HydrophobicContact CB-CE2 4.15Å; L315-F369 HydrophobicContact CD1-CD2 4.46Å; L315-F369 HydrophobicContact CD1-CE1 4.47Å; L315-F369 HydrophobicContact CD1-CE2 3.9Å; L315-F369 HydrophobicContact CD1-CZ 3.89Å; L315-F369 HydrophobicContact CD2-CD2 4.36Å; L315-F369 HydrophobicContact CD2-CE2 3.82Å; L315-F369 HydrophobicContact CG-CD2 4.49Å; L315-F369 HydrophobicContact CG-CE2 4.17Å; M319-F369 HydrophobicContact CE-CB 3.95Å; M319-F369 HydrophobicContact CG-CB 3.49Å; M319-F369 VanDerWaalsContact CG-CB 3.49Å; M319-F369 HydrophobicContact CG-CD2 4.49Å; M319-F369 HydrophobicContact SD-CB 3.6Å; M319-F369 HydrophobicContact SD-CD2 4.05Å; M319-F369 HydrophobicContact SD-CG 4.31Å; K329-F369 HydrophobicContact CB-CD2 4.32Å; K329-F369 HydrophobicContact CB-CE2 4.48Å; K329-F369 HydrophobicContact CD-CD1 4.43Å; K329-F369 HydrophobicContact CG-CD1 4.29Å; K329-F369 HydrophobicContact CG-CD2 4.12Å; K329-F369 HydrophobicContact CG-CE1 4.18Å; K329-F369 HydrophobicContact CG-CE2 3.98Å; K329-F369 HydrophobicContact CG-CG 4.27Å; K329-F369 HydrophobicContact CG-CZ 4.03Å; L332-F369 HydrophobicContact CB-CE2 4.09Å; L332-F369 HydrophobicContact CD1-CD2 4.11Å; L332-F369 HydrophobicContact CD1-CE2 4.36Å; I333-F369 HydrophobicContact CD1-CZ 3.98Å; I333-F369 HydrophobicContact CG1-CE2 4.19Å; I333-F369 HydrophobicContact CG1-CZ 3.68Å; L364-F369 HydrophobicContact CB-CE1 3.96Å; L364-F369 HydrophobicContact CB-CZ 3.93Å; L364-F369 HydrophobicContact CD1-CZ 4.35Å; L364-F369 HydrophobicContact CD2-CE1 3.76Å; L364-F369 HydrophobicContact CD2-CZ 3.97Å; L364-F369 HydrophobicContact CG-CE1 4.39Å; L364-F369 HydrophobicContact CG-CZ 4.31Å; L364-F369 WeakPolarHBondContact O-CE1 3.41Å; F369-K371 PolarHBondContact O-N 2.93Å; F369-F372 HydrophobicContact CB-CD2 3.98Å; F369-F372 HydrophobicContact CB-CE2 4.09Å; F369-F372 AromaticContact CD1-CD2 3.97Å; F369-F372 HydrophobicContact CD1-CD2 3.97Å; F369-F372 AromaticContact CD1-CE2 3.18Å; F369-F372 HydrophobicContact CD1-CE2 3.18Å; F369-F372 AromaticContact CD1-CZ 3.73Å; F369-F372 HydrophobicContact CD1-CZ 3.73Å; F369-F372 AromaticContact CE1-CE2 3.65Å; F369-F372 HydrophobicContact CE1-CE2 3.65Å; F369-F372 HydrophobicContact CE1-CZ 4.04Å; F369-F372 HydrophobicContact CG-CD2 4.04Å; F369-F372 AromaticContact CG-CE2 3.68Å; F369-F372 HydrophobicContact CG-CE2 3.68Å; F369-F372 HydrophobicContact CZ-CE2 4.47Å; F369-F372 PolarHBondContact O-N 2.88Å |
| 370 | S | 92.6 | Very high | 96.3 | Very high | 24 Ų | 24 | 63 Ų | 63 | 17% | 0.168 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -71.9 | -19.6 | 175.2 | 76.7 | 0 | 0 | 0 | 0 | 112.7 | K316 D368 | K316-S370 PolarHBondContact NZ-O 3.39Å; D368-S370 VanDerWaalsContact CG-OG 3.23Å; D368-S370 PolarHBondContact O-N 2.77Å; D368-S370 VanDerWaalsContact O-N 3.13Å; D368-S370 VanDerWaalsContact OD1-CB 3.28Å; D368-S370 WeakPolarHBondContact OD1-CB 3.2Å; D368-S370 PolarHBondContact OD1-N 3.13Å; D368-S370 PolarHBondContact OD1-OG 3.02Å; D368-S370 PolarHBondContact OD2-OG 3.36Å |
| 371 | K | 95.4 | Very high | 96.3 | Very high | 168 Ų | 168 | 68.1 Ų | 68.1 | 73% | 0.73 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -88.9 | -9.9 | 175.6 | -65.3 | -179.4 | -175.2 | 175 | 0 | 113.6 | D368 F369 | D368-K371 HydrophobicContact CB-CD 4.14Å; D368-K371 HydrophobicContact CB-CG 4.24Å; D368-K371 WeakPolarHBondContact O-CB 3.49Å; D368-K371 PolarHBondContact O-N 3.34Å; D368-K371 WeakPolarHBondContact OD2-CE 3.34Å; F369-K371 PolarHBondContact O-N 2.93Å |
| 372 | F | 97.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 67.9 Ų | 67.9 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -62.2 | 146.3 | 178.1 | -71.8 | -26.5 | 0 | 0 | 0 | 112.1 | L42 F46 I312 L315 K316 L364 Y367 F369 | L42-F372 HydrophobicContact CD1-CD1 4.39Å; L42-F372 HydrophobicContact CD1-CE1 4.32Å; F46-F372 HydrophobicContact CZ-CZ 4.43Å; I312-F372 HydrophobicContact CD1-CD2 4.47Å; I312-F372 HydrophobicContact CD1-CE1 4.25Å; I312-F372 HydrophobicContact CD1-CE2 4Å; I312-F372 HydrophobicContact CD1-CZ 3.9Å; I312-F372 HydrophobicContact CG2-CB 3.77Å; I312-F372 HydrophobicContact CG2-CD1 3.92Å; I312-F372 HydrophobicContact CG2-CD2 3.98Å; I312-F372 HydrophobicContact CG2-CE1 4.5Å; I312-F372 HydrophobicContact CG2-CG 3.65Å; L315-F372 HydrophobicContact CB-CD2 4.3Å; L315-F372 HydrophobicContact CB-CE2 4.44Å; L315-F372 HydrophobicContact CD1-CE2 4.26Å; K316-F372 HydrophobicContact CB-CB 3.86Å; K316-F372 HydrophobicContact CD-CB 4.36Å; K316-F372 WeakPolarHBondContact CD-O 3.29Å; K316-F372 WeakPolarHBondContact CE-O 3.46Å; K316-F372 HydrophobicContact CG-CB 4.39Å; K316-F372 VanDerWaalsContact CG-O 3.3Å; K316-F372 WeakPolarHBondContact CG-O 3.44Å; L364-F372 HydrophobicContact CD2-CE2 4.1Å; L364-F372 HydrophobicContact CD2-CZ 3.96Å; Y367-F372 AromaticContact CD1-CE1 3.99Å; Y367-F372 HydrophobicContact CD1-CE1 3.99Å; Y367-F372 HydrophobicContact CD1-CZ 4.5Å; Y367-F372 HydrophobicContact CG-CE1 4.08Å; Y367-F372 HydrophobicContact CG-CZ 4.13Å; F369-F372 HydrophobicContact CB-CD2 3.98Å; F369-F372 HydrophobicContact CB-CE2 4.09Å; F369-F372 AromaticContact CD1-CD2 3.97Å; F369-F372 HydrophobicContact CD1-CD2 3.97Å; F369-F372 AromaticContact CD1-CE2 3.18Å; F369-F372 HydrophobicContact CD1-CE2 3.18Å; F369-F372 AromaticContact CD1-CZ 3.73Å; F369-F372 HydrophobicContact CD1-CZ 3.73Å; F369-F372 AromaticContact CE1-CE2 3.65Å; F369-F372 HydrophobicContact CE1-CE2 3.65Å; F369-F372 HydrophobicContact CE1-CZ 4.04Å; F369-F372 HydrophobicContact CG-CD2 4.04Å; F369-F372 AromaticContact CG-CE2 3.68Å; F369-F372 HydrophobicContact CG-CE2 3.68Å; F369-F372 HydrophobicContact CZ-CE2 4.47Å; F369-F372 PolarHBondContact O-N 2.88Å |
| 373 | P | 96.8 | Very high | 96.4 | Very high | 27 Ų | 27 | 63.9 Ų | 63.9 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 145.7 | 174.5 | 33.2 | -41.2 | 0 | 0 | 0 | 111.2 | T40 Y41 I312 | T40-P373 HydrophobicContact CG2-CB 4.12Å; T40-P373 HydrophobicContact CG2-CG 4.3Å; T40-P373 WeakPolarHBondContact O-CG 3.34Å; Y41-P373 HydrophobicContact CD1-CB 4.37Å; Y41-P373 HydrophobicContact CD1-CG 3.34Å; Y41-P373 HydrophobicContact CE1-CB 4.14Å; Y41-P373 HydrophobicContact CE1-CG 3.56Å; Y41-P373 HydrophobicContact CG-CG 4.17Å; I312-P373 HydrophobicContact CG2-CG 4.23Å |
| 374 | S | 97.1 | Very high | 96.4 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 54% | 0.538 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 159.3 | 166.3 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | Y41 K376 | Y41-S374 PolarHBondContact OH-O 3.3Å; S374-K376 PolarHBondContact O-N 3.03Å |
| 375 | L | 97.4 | Very high | 96.3 | Very high | 69 Ų | 69 | 70 Ų | 70 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 118.8 | -178.6 | -169.5 | 63.2 | 0 | 0 | 0 | 112.2 | Y41 Y310 S313 M377 I380 | Y41-L375 WeakPolarHBondContact OH-CA 3.38Å; Y310-L375 HydrophobicContact CD1-CD1 4.04Å; Y310-L375 HydrophobicContact CD1-CD2 4.49Å; Y310-L375 HydrophobicContact CE1-CD1 4.26Å; Y310-L375 HydrophobicContact CE1-CD2 4.47Å; S313-L375 WeakPolarHBondContact OG-CA 3.39Å; S313-L375 WeakPolarHBondContact OG-CD1 3.49Å; L375-M377 HydrophobicContact CD2-CG 4.5Å; L375-M377 HydrophobicContact CD2-SD 3.59Å; L375-M377 VanDerWaalsContact CD2-SD 3.59Å; L375-M377 HydrophobicContact CG-SD 3.98Å; L375-I380 HydrophobicContact CD1-CG1 4.17Å |
| 376 | K | 97.9 | Very high | 96.3 | Very high | 103 Ų | 103 | 65 Ų | 65 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | trans | -101.1 | 90.8 | 173.1 | -59.4 | -174.4 | -169 | 169.1 | 0 | 110.1 | T40 Y41 S374 K378 L379 | T40-K376 HydrophobicContact CG2-CD 4.03Å; Y41-K376 PolarHBondContact OH-N 3.44Å; S374-K376 PolarHBondContact O-N 3.03Å; K376-K378 PolarHBondContact O-N 3.3Å; K376-L379 HydrophobicContact CB-CD1 4.09Å; K376-L379 HydrophobicContact CB-CG 4.2Å; K376-L379 HydrophobicContact CD-CD1 3.93Å; K376-L379 PolarHBondContact O-N 3.43Å | ||
| 377 | M | 96.4 | Very high | 96.1 | Very high | 91 Ų | 91 | 59.5 Ų | 59.5 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.2 | -35.7 | -178.2 | -73.2 | -55.2 | -61.7 | 0 | 0 | 113.9 | L375 L379 I380 E381 | L375-M377 HydrophobicContact CD2-CG 4.5Å; L375-M377 HydrophobicContact CD2-SD 3.59Å; L375-M377 VanDerWaalsContact CD2-SD 3.59Å; L375-M377 HydrophobicContact CG-SD 3.98Å; M377-L379 PolarHBondContact O-N 3.11Å; M377-I380 WeakPolarHBondContact O-CB 3.11Å; M377-I380 PolarHBondContact O-N 3.03Å; M377-I380 VanDerWaalsContact O-N 3.09Å; M377-E381 WeakPolarHBondContact O-CB 3.43Å; M377-E381 WeakPolarHBondContact O-CG 3.37Å; M377-E381 PolarHBondContact O-N 3.39Å |
| 378 | K | 97.1 | Very high | 95.9 | Very high | 176 Ų | 176 | 60.4 Ų | 60.4 | 77% | 0.765 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -56.4 | -35.2 | 177.1 | -66 | -175.9 | 177.8 | -179.3 | 0 | 113.7 | K376 S382 | K376-K378 PolarHBondContact O-N 3.3Å; K378-S382 WeakPolarHBondContact O-CB 3.43Å; K378-S382 PolarHBondContact O-N 3.47Å; K378-S382 VanDerWaalsContact O-N 3.14Å |
| 379 | L | 97.7 | Very high | 95.5 | Very high | 37 Ų | 37 | 60.7 Ų | 60.7 | 19% | 0.194 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74.7 | -39.7 | 178.3 | -64.7 | 179.5 | 0 | 0 | 0 | 111.2 | P36 L37 T40 Y41 K376 M377 S382 V383 | P36-L379 HydrophobicContact CB-CD2 4.15Å; L37-L379 HydrophobicContact CD1-CB 3.61Å; L37-L379 HydrophobicContact CD1-CD1 4.46Å; T40-L379 HydrophobicContact CG2-CD1 4.06Å; T40-L379 WeakPolarHBondContact OG1-CD1 3.49Å; Y41-L379 HydrophobicContact CE2-CD1 4.49Å; K376-L379 HydrophobicContact CB-CD1 4.09Å; K376-L379 HydrophobicContact CB-CG 4.2Å; K376-L379 HydrophobicContact CD-CD1 3.93Å; K376-L379 PolarHBondContact O-N 3.43Å; M377-L379 PolarHBondContact O-N 3.11Å; L379-S382 WeakPolarHBondContact O-CB 3.18Å; L379-S382 PolarHBondContact O-N 3.5Å; L379-V383 PolarHBondContact O-N 2.85Å |
| 380 | I | 97.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -50.3 | 175.3 | -62.2 | -64.4 | 0 | 0 | 0 | 110.4 | L37 A309 Y310 L375 M377 S382 V383 D384 | L37-I380 HydrophobicContact CD1-CD1 3.79Å; L37-I380 HydrophobicContact CD1-CG1 4.46Å; L37-I380 HydrophobicContact CD2-CD1 4.33Å; A309-I380 HydrophobicContact CB-CD1 3.97Å; Y310-I380 HydrophobicContact CE1-CD1 4.4Å; Y310-I380 HydrophobicContact CE1-CG1 4.46Å; Y310-I380 HydrophobicContact CE1-CG2 4.49Å; Y310-I380 VanDerWaalsContact OH-CG2 3.26Å; Y310-I380 WeakPolarHBondContact OH-CG2 3.3Å; L375-I380 HydrophobicContact CD1-CG1 4.17Å; M377-I380 WeakPolarHBondContact O-CB 3.11Å; M377-I380 PolarHBondContact O-N 3.03Å; M377-I380 VanDerWaalsContact O-N 3.09Å; I380-S382 PolarHBondContact O-N 3.3Å; I380-V383 PolarHBondContact O-N 3.35Å; I380-D384 PolarHBondContact O-N 2.96Å |
| 381 | E | 96.4 | Very high | 94.9 | Very high | 110 Ų | 110 | 60.6 Ų | 60.6 | 51% | 0.514 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.7 | -35.9 | 177.3 | -71.7 | 168 | -171 | 0 | 0 | 112.2 | M377 D384 K385 | M377-E381 WeakPolarHBondContact O-CB 3.43Å; M377-E381 WeakPolarHBondContact O-CG 3.37Å; M377-E381 PolarHBondContact O-N 3.39Å; E381-D384 PolarHBondContact O-N 3.02Å; E381-K385 VanDerWaalsContact O-CB 3.28Å; E381-K385 WeakPolarHBondContact O-CB 3.26Å; E381-K385 PolarHBondContact O-N 3.43Å |
| 382 | S | 96.9 | Very high | 94.5 | Very high | 32 Ų | 32 | 55.5 Ų | 55.5 | 22% | 0.224 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 174.7 | 177.3 | 0 | 0 | 0 | 0 | 112 | K33 K378 L379 I380 M386 | K33-S382 VanDerWaalsContact CD-OG 3.32Å; K33-S382 WeakPolarHBondContact CD-OG 3.39Å; K378-S382 WeakPolarHBondContact O-CB 3.43Å; K378-S382 PolarHBondContact O-N 3.47Å; K378-S382 VanDerWaalsContact O-N 3.14Å; L379-S382 WeakPolarHBondContact O-CB 3.18Å; L379-S382 PolarHBondContact O-N 3.5Å; I380-S382 PolarHBondContact O-N 3.3Å; S382-M386 PolarHBondContact O-N 3.23Å; S382-M386 VanDerWaalsContact O-N 3.1Å |
| 383 | V | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.1 | -38.8 | 176.5 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | K33 L34 L37 A302 K306 L379 I380 K385 M386 L387 | K33-V383 VanDerWaalsContact O-CG2 3.31Å; K33-V383 WeakPolarHBondContact O-CG2 3.48Å; L34-V383 HydrophobicContact CD1-CG1 4.39Å; L34-V383 HydrophobicContact CD1-CG2 4.14Å; L37-V383 HydrophobicContact CB-CG2 4.29Å; L37-V383 HydrophobicContact CD2-CG2 3.87Å; A302-V383 HydrophobicContact CB-CG1 4.03Å; K306-V383 HydrophobicContact CD-CB 4.39Å; K306-V383 HydrophobicContact CD-CG1 3.89Å; K306-V383 HydrophobicContact CG-CB 4.3Å; K306-V383 HydrophobicContact CG-CG1 3.86Å; L379-V383 PolarHBondContact O-N 2.85Å; I380-V383 PolarHBondContact O-N 3.35Å; V383-K385 PolarHBondContact O-N 3.45Å; V383-M386 HydrophobicContact CG1-CE 4.1Å; V383-M386 WeakPolarHBondContact O-CB 3.42Å; V383-M386 PolarHBondContact O-N 2.86Å; V383-L387 HydrophobicContact CG1-CD1 4.2Å; V383-L387 HydrophobicContact CG1-CG 4.41Å; V383-L387 WeakPolarHBondContact O-CG 3.35Å; V383-L387 PolarHBondContact O-N 2.89Å |
| 384 | D | 95.1 | Very high | 93.5 | Very high | 61 Ų | 61 | 55.3 Ų | 55.3 | 33% | 0.326 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 175.4 | -81.6 | -37.3 | 0 | 0 | 0 | 112.3 | K306 I380 E381 M386 L387 A388 | K306-D384 VanDerWaalsContact CE-OD1 3.26Å; K306-D384 WeakPolarHBondContact CE-OD1 3.32Å; K306-D384 WeakPolarHBondContact CE-OD2 2.99Å; K306-D384 IonicContact NZ-OD1 3.36Å; K306-D384 PolarHBondContact NZ-OD1 3.45Å; K306-D384 IonicContact NZ-OD2 2.96Å; K306-D384 PolarHBondContact NZ-OD2 3.29Å; K306-D384 VanDerWaalsContact NZ-OD2 3.16Å; I380-D384 PolarHBondContact O-N 2.96Å; E381-D384 PolarHBondContact O-N 3.02Å; D384-M386 VanDerWaalsContact C-N 3.31Å; D384-M386 PolarHBondContact O-N 3.34Å; D384-L387 PolarHBondContact O-N 3.16Å; D384-A388 VanDerWaalsContact O-CB 3.28Å; D384-A388 WeakPolarHBondContact O-CB 3.39Å; D384-A388 PolarHBondContact O-N 3.46Å |
| 385 | K | 94.6 | Very high | 92.9 | Very high | 100 Ų | 100 | 54.2 Ų | 54.2 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 174.4 | -174.1 | 173.7 | -179.9 | 176.5 | 0 | 111.8 | E15 E381 V383 T389 | E15-K385 WeakPolarHBondContact OE1-CE 3Å; E15-K385 IonicContact OE1-NZ 2.85Å; E15-K385 PolarHBondContact OE1-NZ 3.32Å; E15-K385 IonicContact OE2-NZ 3.71Å; E381-K385 VanDerWaalsContact O-CB 3.28Å; E381-K385 WeakPolarHBondContact O-CB 3.26Å; E381-K385 PolarHBondContact O-N 3.43Å; V383-K385 PolarHBondContact O-N 3.45Å; K385-T389 PolarHBondContact O-N 2.9Å; K385-T389 PolarHBondContact O-OG1 2.75Å |
| 386 | M | 94.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -57.7 | -53.9 | 173.8 | 178.7 | -169.2 | 78.9 | 0 | 0 | 110.6 | L29 K33 A302 S382 V383 D384 A388 K390 I391 | L29-M386 HydrophobicContact CB-CG 4.31Å; L29-M386 HydrophobicContact CB-SD 3.99Å; L29-M386 HydrophobicContact CD1-CG 4.09Å; L29-M386 HydrophobicContact CD2-CG 4.21Å; L29-M386 HydrophobicContact CG-CG 4.45Å; K33-M386 HydrophobicContact CB-CB 4.17Å; K33-M386 HydrophobicContact CB-CG 4.34Å; K33-M386 HydrophobicContact CB-SD 3.78Å; K33-M386 HydrophobicContact CG-CB 4.33Å; K33-M386 HydrophobicContact CG-SD 4.42Å; A302-M386 HydrophobicContact CB-CE 3.71Å; S382-M386 PolarHBondContact O-N 3.23Å; S382-M386 VanDerWaalsContact O-N 3.1Å; V383-M386 HydrophobicContact CG1-CE 4.1Å; V383-M386 WeakPolarHBondContact O-CB 3.42Å; V383-M386 PolarHBondContact O-N 2.86Å; D384-M386 VanDerWaalsContact C-N 3.31Å; D384-M386 PolarHBondContact O-N 3.34Å; M386-A388 PolarHBondContact O-N 3.41Å; M386-K390 WeakPolarHBondContact O-CB 3.24Å; M386-K390 PolarHBondContact O-N 3.35Å; M386-K390 VanDerWaalsContact O-N 3.09Å; M386-I391 WeakPolarHBondContact O-CG1 3.38Å; M386-I391 PolarHBondContact O-N 3.19Å; M386-I391 VanDerWaalsContact O-N 3.15Å |
| 387 | L | 93.1 | Very high | 91.8 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 22% | 0.22 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -62.2 | -42 | -178.3 | -70.3 | 174.5 | 0 | 0 | 0 | 112.8 | I299 A302 K306 V383 D384 I391 | I299-L387 HydrophobicContact CG1-CD2 4.28Å; I299-L387 HydrophobicContact CG2-CD2 4.23Å; A302-L387 HydrophobicContact CB-CD1 4.43Å; A302-L387 HydrophobicContact CB-CD2 3.98Å; A302-L387 HydrophobicContact CB-CG 4.45Å; K306-L387 HydrophobicContact CD-CD1 4.32Å; V383-L387 HydrophobicContact CG1-CD1 4.2Å; V383-L387 HydrophobicContact CG1-CG 4.41Å; V383-L387 WeakPolarHBondContact O-CG 3.35Å; V383-L387 PolarHBondContact O-N 2.89Å; D384-L387 PolarHBondContact O-N 3.16Å; L387-I391 HydrophobicContact CD2-CD1 3.66Å |
| 388 | A | 90.4 | Very high | 91.2 | Very high | 78 Ų | 78 | 45.7 Ų | 45.7 | 65% | 0.645 | 26% | 0.259 | S | S | * | . | I | π-helix | trans | -78.4 | -35.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D384 M386 | D384-A388 VanDerWaalsContact O-CB 3.28Å; D384-A388 WeakPolarHBondContact O-CB 3.39Å; D384-A388 PolarHBondContact O-N 3.46Å; M386-A388 PolarHBondContact O-N 3.41Å |
| 389 | T | 87.9 | Confident | 90.6 | Very high | 71 Ų | 71 | 46.1 Ų | 46.1 | 44% | 0.436 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -122.3 | -43 | -168.7 | 63.7 | 0 | 0 | 0 | 0 | 114.1 | K385 | K385-T389 PolarHBondContact O-N 2.9Å; K385-T389 PolarHBondContact O-OG1 2.75Å |
| 390 | K | 87.5 | Confident | 89.9 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -76.8 | -32.6 | -172.6 | -62.1 | -71.4 | -177.3 | 160.1 | 0 | 112 | E15 E17 L29 M386 V393 L394 | E15-K390 WeakPolarHBondContact OE2-CE 3.3Å; E15-K390 IonicContact OE2-NZ 3.55Å; E15-K390 PolarHBondContact OE2-NZ 3.28Å; E17-K390 IonicContact OE2-NZ 3.56Å; E17-K390 PolarHBondContact OE2-NZ 3.47Å; L29-K390 HydrophobicContact CD1-CB 3.97Å; L29-K390 HydrophobicContact CD2-CB 3.85Å; L29-K390 HydrophobicContact CD2-CG 4.15Å; M386-K390 WeakPolarHBondContact O-CB 3.24Å; M386-K390 PolarHBondContact O-N 3.35Å; M386-K390 VanDerWaalsContact O-N 3.09Å; K390-V393 PolarHBondContact O-N 3.42Å; K390-L394 PolarHBondContact O-N 2.99Å |
| 391 | I | 88.3 | Confident | 88.8 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 8% | 0.077 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -39 | 176 | -70.6 | -168.2 | 0 | 0 | 0 | 112.3 | L295 I299 M386 L387 V393 L394 M395 | L295-I391 HydrophobicContact CD1-CD1 4.32Å; L295-I391 HydrophobicContact CD1-CG1 4.17Å; L295-I391 HydrophobicContact CD1-CG2 4.12Å; L295-I391 HydrophobicContact CD2-CG2 4.31Å; L295-I391 HydrophobicContact CG-CG2 4.49Å; I299-I391 HydrophobicContact CD1-CD1 3.82Å; I299-I391 HydrophobicContact CD1-CG2 4.02Å; I299-I391 HydrophobicContact CG1-CD1 3.29Å; M386-I391 WeakPolarHBondContact O-CG1 3.38Å; M386-I391 PolarHBondContact O-N 3.19Å; M386-I391 VanDerWaalsContact O-N 3.15Å; L387-I391 HydrophobicContact CD2-CD1 3.66Å; I391-V393 PolarHBondContact O-N 2.97Å; I391-L394 PolarHBondContact O-N 2.6Å; I391-M395 HydrophobicContact CG2-CG 4.38Å; I391-M395 WeakPolarHBondContact O-CG 3.36Å; I391-M395 PolarHBondContact O-N 2.68Å |
| 392 | A | 86.9 | Confident | 87.8 | Confident | 62 Ų | 62 | 50 Ų | 50 | 51% | 0.512 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.1 | -33.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A396 | A392-A396 PolarHBondContact O-N 3.17Å; A392-A396 VanDerWaalsContact O-N 3.12Å |
| 393 | V | 86.4 | Confident | 86.7 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.1 | -43.7 | 177.7 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | N13 K390 I391 M395 A396 M397 | N13-V393 VanDerWaalsContact CG-CG2 3.44Å; N13-V393 WeakPolarHBondContact ND2-CG2 3.36Å; N13-V393 WeakPolarHBondContact OD1-CG2 3.27Å; K390-V393 PolarHBondContact O-N 3.42Å; I391-V393 PolarHBondContact O-N 2.97Å; V393-M395 VanDerWaalsContact C-N 3.3Å; V393-M395 PolarHBondContact O-N 3.13Å; V393-A396 PolarHBondContact O-N 3.03Å; V393-M397 WeakPolarHBondContact O-CG 3.47Å; V393-M397 PolarHBondContact O-N 3.07Å |
| 394 | L | 86.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 174.3 | -68 | -177.5 | 0 | 0 | 0 | 111.9 | Y19 L26 L29 L295 K390 I391 A396 M397 I398 | Y19-L394 HydrophobicContact CD2-CD2 4.12Å; Y19-L394 HydrophobicContact CE2-CD2 4.34Å; L26-L394 HydrophobicContact CD2-CD1 3.78Å; L26-L394 HydrophobicContact CG-CD1 4.15Å; L29-L394 HydrophobicContact CD1-CD1 3.46Å; L29-L394 VanDerWaalsContact CD1-CD1 3.46Å; L29-L394 HydrophobicContact CD1-CG 4.3Å; L29-L394 HydrophobicContact CG-CD1 4.4Å; L295-L394 HydrophobicContact CD1-CD1 4.24Å; K390-L394 PolarHBondContact O-N 2.99Å; I391-L394 PolarHBondContact O-N 2.6Å; L394-A396 VanDerWaalsContact C-N 3.32Å; L394-A396 PolarHBondContact O-N 3.31Å; L394-M397 HydrophobicContact CD2-SD 4.18Å; L394-M397 PolarHBondContact O-N 3.35Å; L394-I398 VanDerWaalsContact O-CG1 3.29Å; L394-I398 WeakPolarHBondContact O-CG1 3.44Å; L394-I398 PolarHBondContact O-N 3.12Å |
| 395 | M | 86.3 | Confident | 83.4 | Confident | 54 Ų | 54 | 61.6 Ų | 61.6 | 27% | 0.266 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 173.6 | -78.2 | -66.6 | -159.5 | 0 | 0 | 112.5 | L292 L295 I391 V393 I398 R399 | L292-M395 HydrophobicContact CD1-CE 3.66Å; L292-M395 HydrophobicContact CD1-SD 3.51Å; L292-M395 VanDerWaalsContact CD1-SD 3.51Å; L295-M395 HydrophobicContact CD2-CE 3.69Å; L295-M395 HydrophobicContact CD2-CG 3.72Å; L295-M395 HydrophobicContact CD2-SD 3.49Å; L295-M395 WeakPolarHBondContact CD2-SD 3.4Å; I391-M395 HydrophobicContact CG2-CG 4.38Å; I391-M395 WeakPolarHBondContact O-CG 3.36Å; I391-M395 PolarHBondContact O-N 2.68Å; V393-M395 VanDerWaalsContact C-N 3.3Å; V393-M395 PolarHBondContact O-N 3.13Å; M395-I398 PolarHBondContact O-N 2.98Å; M395-R399 WeakPolarHBondContact O-CG 3.5Å; M395-R399 PolarHBondContact O-N 2.93Å |
| 396 | A | 86.7 | Confident | 81.9 | Confident | 59 Ų | 59 | 62.1 Ų | 62.1 | 49% | 0.488 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A392 V393 L394 R399 E400 | A392-A396 PolarHBondContact O-N 3.17Å; A392-A396 VanDerWaalsContact O-N 3.12Å; V393-A396 PolarHBondContact O-N 3.03Å; L394-A396 VanDerWaalsContact C-N 3.32Å; L394-A396 PolarHBondContact O-N 3.31Å; A396-R399 PolarHBondContact O-N 3.28Å; A396-E400 PolarHBondContact O-N 2.68Å; A396-E400 VanDerWaalsContact O-N 3.07Å |
| 397 | M | 84.3 | Confident | 80.4 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 9% | 0.089 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 175.9 | -69.2 | 178.5 | 64.1 | 0 | 0 | 112.4 | Y19 V22 V393 L394 R399 E400 E401 | Y19-M397 HydrophobicContact CD2-SD 4.33Å; V22-M397 HydrophobicContact CG2-CB 3.85Å; V393-M397 WeakPolarHBondContact O-CG 3.47Å; V393-M397 PolarHBondContact O-N 3.07Å; L394-M397 HydrophobicContact CD2-SD 4.18Å; L394-M397 PolarHBondContact O-N 3.35Å; M397-R399 VanDerWaalsContact C-N 3.33Å; M397-R399 PolarHBondContact O-N 3.37Å; M397-E400 PolarHBondContact O-N 3.2Å; M397-E400 VanDerWaalsContact O-N 3.15Å; M397-E401 PolarHBondContact O-N 3.27Å |
| 398 | I | 84.9 | Confident | 79.4 | Confident | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.3 | -47.9 | 176.6 | -70.6 | 165.2 | 0 | 0 | 0 | 110.4 | V22 A291 L292 L295 L394 M395 E400 E401 E402 | V22-I398 HydrophobicContact CB-CG1 4.29Å; V22-I398 HydrophobicContact CG1-CD1 3.99Å; V22-I398 HydrophobicContact CG1-CG1 3.65Å; V22-I398 HydrophobicContact CG2-CG1 3.72Å; A291-I398 HydrophobicContact CB-CD1 4.35Å; A291-I398 HydrophobicContact CB-CG1 4.14Å; L292-I398 HydrophobicContact CB-CG2 4.49Å; L292-I398 HydrophobicContact CD1-CD1 4.48Å; L295-I398 HydrophobicContact CB-CD1 4.42Å; L295-I398 HydrophobicContact CD2-CD1 3.79Å; L394-I398 VanDerWaalsContact O-CG1 3.29Å; L394-I398 WeakPolarHBondContact O-CG1 3.44Å; L394-I398 PolarHBondContact O-N 3.12Å; M395-I398 PolarHBondContact O-N 2.98Å; I398-E400 VanDerWaalsContact C-N 3.26Å; I398-E400 PolarHBondContact O-N 2.81Å; I398-E401 PolarHBondContact O-N 3.08Å; I398-E402 HydrophobicContact CG2-CG 4.44Å; I398-E402 WeakPolarHBondContact CG2-OE1 3.4Å; I398-E402 WeakPolarHBondContact O-CB 3.44Å; I398-E402 WeakPolarHBondContact O-CG 3.3Å; I398-E402 PolarHBondContact O-N 3.24Å |
| 399 | R | 84.8 | Confident | 79 | Confident | 185 Ų | 185 | 66.3 Ų | 66.3 | 70% | 0.698 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.3 | -35.7 | 178.5 | -69.1 | 176.1 | -176.5 | -159.3 | -0.1 | 112.5 | M395 A396 M397 S403 | M395-R399 WeakPolarHBondContact O-CG 3.5Å; M395-R399 PolarHBondContact O-N 2.93Å; A396-R399 PolarHBondContact O-N 3.28Å; M397-R399 VanDerWaalsContact C-N 3.33Å; M397-R399 PolarHBondContact O-N 3.37Å; R399-S403 PolarHBondContact O-N 2.95Å |
| 400 | E | 81.5 | Confident | 78.9 | Confident | 90 Ų | 90 | 63 Ų | 63 | 42% | 0.421 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -72 | -43.4 | 178.1 | -169.2 | 175.9 | -175.1 | 0 | 0 | 111.6 | A396 M397 I398 S403 K404 | A396-E400 PolarHBondContact O-N 2.68Å; A396-E400 VanDerWaalsContact O-N 3.07Å; M397-E400 PolarHBondContact O-N 3.2Å; M397-E400 VanDerWaalsContact O-N 3.15Å; I398-E400 VanDerWaalsContact C-N 3.26Å; I398-E400 PolarHBondContact O-N 2.81Å; E400-S403 PolarHBondContact O-N 3.15Å; E400-S403 VanDerWaalsContact O-N 3.17Å; E400-S403 PolarHBondContact O-OG 3.33Å; E400-K404 HydrophobicContact CG-CD 4.15Å; E400-K404 VanDerWaalsContact CG-CE 3.48Å; E400-K404 WeakPolarHBondContact O-CG 3.39Å; E400-K404 PolarHBondContact O-N 2.91Å; E400-K404 VanDerWaalsContact OE1-CE 3.3Å; E400-K404 WeakPolarHBondContact OE1-CE 3.25Å; E400-K404 IonicContact OE1-NZ 3.5Å; E400-K404 PolarHBondContact OE1-NZ 3.39Å |
| 401 | E | 75.3 | Confident | 78.8 | Confident | 79 Ų | 79 | 65.2 Ų | 65.2 | 37% | 0.369 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 172.5 | -76.9 | -177.2 | -178.6 | 0 | 0 | 111.5 | V22 M397 I398 S403 K404 | V22-E401 WeakPolarHBondContact CG2-OE2 3.41Å; V22-E401 PolarHBondContact N-OE1 2.99Å; M397-E401 PolarHBondContact O-N 3.27Å; I398-E401 PolarHBondContact O-N 3.08Å; E401-S403 PolarHBondContact O-N 3.5Å; E401-K404 PolarHBondContact O-N 2.96Å |
| 402 | E | 74.6 | Confident | 78.8 | Confident | 62 Ų | 62 | 64.7 Ų | 64.7 | 29% | 0.29 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -22.6 | 176.5 | -76.7 | 178.4 | -172.5 | 0 | 0 | 113.6 | I398 | I398-E402 HydrophobicContact CG2-CG 4.44Å; I398-E402 WeakPolarHBondContact CG2-OE1 3.4Å; I398-E402 WeakPolarHBondContact O-CB 3.44Å; I398-E402 WeakPolarHBondContact O-CG 3.3Å; I398-E402 PolarHBondContact O-N 3.24Å |
| 403 | S | 73.4 | Confident | 78.9 | Confident | 88 Ų | 88 | 62.4 Ų | 62.4 | 62% | 0.615 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -91 | -20.2 | -178.6 | 73.4 | 0 | 0 | 0 | 0 | 114.5 | R399 E400 E401 | R399-S403 PolarHBondContact O-N 2.95Å; E400-S403 PolarHBondContact O-N 3.15Å; E400-S403 VanDerWaalsContact O-N 3.17Å; E400-S403 PolarHBondContact O-OG 3.33Å; E401-S403 PolarHBondContact O-N 3.5Å |
| 404 | K | 63.3 | Low | 78.9 | Confident | 122 Ų | 122 | 61.4 Ų | 61.4 | 53% | 0.53 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -102 | -17 | -168.1 | -74.7 | -179.7 | -178 | 177 | 0 | 114.9 | E400 E401 | E400-K404 HydrophobicContact CG-CD 4.15Å; E400-K404 VanDerWaalsContact CG-CE 3.48Å; E400-K404 WeakPolarHBondContact O-CG 3.39Å; E400-K404 PolarHBondContact O-N 2.91Å; E400-K404 VanDerWaalsContact OE1-CE 3.3Å; E400-K404 WeakPolarHBondContact OE1-CE 3.25Å; E400-K404 IonicContact OE1-NZ 3.5Å; E400-K404 PolarHBondContact OE1-NZ 3.39Å; E401-K404 PolarHBondContact O-N 2.96Å |
| 405 | L | 59.7 | Low | 78.9 | Confident | 125 Ų | 125 | 61.8 Ų | 61.8 | 65% | 0.654 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -121 | 150.5 | -179.2 | -70.3 | 166.7 | 0 | 0 | 0 | 109.5 | ||
| 406 | P | 63.9 | Low | 78.4 | Confident | 112 Ų | 112 | 65.3 Ų | 65.3 | 73% | 0.727 | 36% | 0.357 | S | S | * | . | trans | -53.2 | 134.9 | 161.3 | 24 | -30.6 | 0 | 0 | 0 | 107.6 | A408 | P406-A408 PolarHBondContact O-N 3.03Š| ||
| 407 | P | 63.4 | Low | 77.1 | Confident | 52 Ų | 52 | 65.2 Ų | 65.2 | 34% | 0.338 | 36% | 0.361 | S | S | . | . | trans | -57.7 | 128.5 | -172.5 | 21.2 | -30.9 | 0 | 0 | 0 | 109.3 | R288 M409 | R288-P407 HydrophobicContact CG-CB 4.2Å; P407-M409 HydrophobicContact CB-CG 4.27Å; P407-M409 HydrophobicContact CG-CE 4.26Å; P407-M409 HydrophobicContact CG-CG 4.39Å; P407-M409 HydrophobicContact CG-SD 4.17Å; P407-M409 WeakPolarHBondContact O-CG 3.23Å; P407-M409 PolarHBondContact O-N 3.35Å | ||
| 408 | A | 71.4 | Confident | 75.8 | Confident | 61 Ų | 61 | 64.9 Ų | 64.9 | 50% | 0.504 | 36% | 0.361 | S | S | . | . | trans | -60.9 | 110.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | P287 R288 P406 | P287-A408 HydrophobicContact CB-CB 4.05Å; P287-A408 WeakPolarHBondContact CB-O 2.97Å; R288-A408 PolarHBondContact N-O 3.02Å; P406-A408 PolarHBondContact O-N 3.03Å | ||
| 409 | M | 82.3 | Confident | 74.3 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 47% | 0.473 | 38% | 0.384 | S | S | . | . | trans | -119.8 | 162.8 | -179.4 | -68 | -174.7 | -58.2 | 0 | 0 | 109.9 | S149 Q284 P407 | S149-M409 PolarHBondContact OG-O 2.93Å; Q284-M409 WeakPolarHBondContact O-CA 3.35Å; P407-M409 HydrophobicContact CB-CG 4.27Å; P407-M409 HydrophobicContact CG-CE 4.26Å; P407-M409 HydrophobicContact CG-CG 4.39Å; P407-M409 HydrophobicContact CG-SD 4.17Å; P407-M409 WeakPolarHBondContact O-CG 3.23Å; P407-M409 PolarHBondContact O-N 3.35Å | ||
| 410 | V | 85.9 | Confident | 72.7 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.018 | 39% | 0.39 | C | S | . | . | trans | -73 | 128.3 | 167.5 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | V146 I150 Q284 P287 F415 | V146-V410 HydrophobicContact CB-CG1 4.17Å; V146-V410 HydrophobicContact CG1-CG1 3.73Å; V146-V410 HydrophobicContact CG2-CG1 4.25Å; I150-V410 HydrophobicContact CD1-CG1 4.5Å; I150-V410 HydrophobicContact CD1-CG2 4.2Å; I150-V410 HydrophobicContact CG1-CG2 4.19Å; I150-V410 HydrophobicContact CG2-CG2 3.68Å; Q284-V410 HydrophobicContact CB-CB 4.45Å; Q284-V410 HydrophobicContact CG-CB 4.06Å; Q284-V410 PolarHBondContact O-N 3.27Å; P287-V410 HydrophobicContact CG-CG2 4.02Å; V410-F415 HydrophobicContact CG1-CD2 3.64Å; V410-F415 HydrophobicContact CG1-CE2 3.68Å; V410-F415 HydrophobicContact CG1-CG 4.2Å; V410-F415 HydrophobicContact CG1-CZ 4.25Å | ||
| 411 | S | 85.9 | Confident | 71.6 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | trans | -120.6 | 160.5 | 176.8 | 65 | 0 | 0 | 0 | 0 | 110.8 | Q145 V146 | Q145-S411 CarbonylContact C-O 3.27Å; Q145-S411 VanDerWaalsContact C-O 3.3Å; Q145-S411 WeakPolarHBondContact CB-O 3.39Å; V146-S411 WeakPolarHBondContact CA-O 3.44Å; V146-S411 PolarHBondContact N-O 2.7Å; V146-S411 VanDerWaalsContact N-O 3.17Å | ||
| 412 | G | 86.6 | Confident | 70.6 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 3% | 0.031 | 39% | 0.393 | C | S | . | . | S | Bend | trans | 75.7 | 172.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V146 F415 E416 | V146-G412 VanDerWaalsContact CG2-O 3.26Å; V146-G412 WeakPolarHBondContact CG2-O 3.46Å; G412-F415 WeakPolarHBondContact O-CB 3.16Å; G412-F415 WeakPolarHBondContact O-CD2 3.27Å; G412-E416 VanDerWaalsContact CA-OE1 3.32Å; G412-E416 WeakPolarHBondContact CA-OE1 3.36Å; G412-E416 PolarHBondContact N-OE1 3.2Å |
| 413 | G | 88.9 | Confident | 69.8 | Low | 15 Ų | 15 | 71.6 Ų | 71.6 | 16% | 0.155 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | 60.8 | -146.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E81 F415 E416 | E81-G413 VanDerWaalsContact CD-C 3.49Å; G413-F415 PolarHBondContact O-N 2.72Å; G413-E416 PolarHBondContact O-N 3.1Å |
| 414 | A | 87.1 | Confident | 69.1 | Low | 8 Ų | 8 | 68 Ų | 68 | 7% | 0.066 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -65 | -2.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y78 L79 E81 F280 | Y78-A414 WeakPolarHBondContact O-CB 3.43Å; L79-A414 PolarHBondContact O-N 2.69Å; L79-A414 VanDerWaalsContact O-N 3.08Å; E81-A414 HydrophobicContact CG-CB 4.36Å; E81-A414 WeakPolarHBondContact OE1-CA 3.34Å; F280-A414 HydrophobicContact CE2-CB 4.12Å; F280-A414 WeakPolarHBondContact CE2-O 3.35Å; F280-A414 HydrophobicContact CZ-CB 3.92Å |
| 415 | F | 86.3 | Confident | 68.6 | Low | 7 Ų | 7 | 70.6 Ų | 70.6 | 3% | 0.031 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -91.3 | -14.9 | -176.4 | -61.1 | -72.6 | 0 | 0 | 0 | 113.7 | L79 V146 F280 I283 Q284 V410 G412 G413 S418 | L79-F415 HydrophobicContact CB-CE2 4.33Å; L79-F415 HydrophobicContact CD1-CZ 4.42Å; L79-F415 HydrophobicContact CD2-CE1 4.41Å; L79-F415 HydrophobicContact CD2-CE2 4.28Å; L79-F415 HydrophobicContact CD2-CZ 3.8Å; L79-F415 HydrophobicContact CG-CZ 4.49Å; V146-F415 HydrophobicContact CG1-CD2 4.45Å; V146-F415 HydrophobicContact CG1-CE2 3.85Å; V146-F415 HydrophobicContact CG2-CD2 3.81Å; V146-F415 HydrophobicContact CG2-CE2 3.97Å; F280-F415 HydrophobicContact CB-CD1 3.89Å; F280-F415 HydrophobicContact CB-CE1 3.98Å; F280-F415 HydrophobicContact CD1-CE1 4.09Å; F280-F415 HydrophobicContact CG-CD1 4.15Å; F280-F415 HydrophobicContact CG-CE1 4.14Å; I283-F415 HydrophobicContact CB-CE1 4.06Å; I283-F415 HydrophobicContact CB-CZ 4.23Å; I283-F415 HydrophobicContact CG2-CE1 4.02Å; I283-F415 HydrophobicContact CG2-CZ 3.71Å; Q284-F415 HydrophobicContact CG-CB 4.19Å; Q284-F415 HydrophobicContact CG-CD1 3.42Å; Q284-F415 VanDerWaalsContact CG-CD1 3.42Å; Q284-F415 HydrophobicContact CG-CE1 4.02Å; Q284-F415 HydrophobicContact CG-CG 4Å; Q284-F415 PolarHBondContact NE2-O 3.19Å; V410-F415 HydrophobicContact CG1-CD2 3.64Å; V410-F415 HydrophobicContact CG1-CE2 3.68Å; V410-F415 HydrophobicContact CG1-CG 4.2Å; V410-F415 HydrophobicContact CG1-CZ 4.25Å; G412-F415 WeakPolarHBondContact O-CB 3.16Å; G412-F415 WeakPolarHBondContact O-CD2 3.27Å; G413-F415 PolarHBondContact O-N 2.72Å; F415-S418 PolarHBondContact O-OG 2.91Å |
| 416 | E | 75.7 | Confident | 68.4 | Low | 128 Ų | 128 | 66.1 Ų | 66.1 | 60% | 0.598 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -79.7 | -27.2 | -178.9 | -77 | -176.7 | 174.4 | 0 | 0 | 113.4 | G412 G413 | G412-E416 VanDerWaalsContact CA-OE1 3.32Å; G412-E416 WeakPolarHBondContact CA-OE1 3.36Å; G412-E416 PolarHBondContact N-OE1 3.2Å; G413-E416 PolarHBondContact O-N 3.1Å |
| 417 | G | 60.8 | Low | 68 | Low | 57 Ų | 57 | 64.9 Ų | 64.9 | 59% | 0.588 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -92.7 | 2.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 418 | S | 56.4 | Low | 67.9 | Low | 11 Ų | 11 | 64.4 Ų | 64.4 | 8% | 0.077 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -90.6 | -14.6 | -166.7 | 56.7 | 0 | 0 | 0 | 0 | 115.9 | F415 | F415-S418 PolarHBondContact O-OG 2.91Š|
| 419 | E | 53.6 | Low | 67.8 | Low | 111 Ų | 111 | 64.5 Ų | 64.5 | 52% | 0.519 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -125 | -32.9 | -173.2 | -63.5 | -160.8 | 147.5 | 0 | 0 | 115.2 | R281 | R281-E419 VanDerWaalsContact CD-OE1 3.25Å; R281-E419 WeakPolarHBondContact CD-OE1 3.42Å |
| 420 | D | 51.7 | Low | 67.9 | Low | 152 Ų | 152 | 60.1 Ų | 60.1 | 81% | 0.813 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -131.1 | 131 | -175.3 | -73 | -44.8 | 0 | 0 | 0 | 113.3 | ||
| 421 | G | 57.9 | Low | 67.7 | Low | 40 Ų | 40 | 61.2 Ų | 61.2 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 131.7 | 177.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | F423 G424 | G421-F423 PolarHBondContact O-N 2.83Å; G421-G424 PolarHBondContact O-N 2.72Å |
| 422 | P | 52.9 | Low | 67.3 | Low | 69 Ų | 69 | 60 Ų | 60 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 2.7 | -175.7 | 28.6 | -35.7 | 0 | 0 | 0 | 115.1 | Y427 | P422-Y427 VanDerWaalsContact C-CD1 3.5Å; P422-Y427 VanDerWaalsContact CA-CZ 3.48Å; P422-Y427 HydrophobicContact CB-CD1 4.22Å; P422-Y427 HydrophobicContact CB-CE1 3.64Å; P422-Y427 HydrophobicContact CB-CE2 4.05Å; P422-Y427 WeakPolarHBondContact O-CD1 3.43Å; P422-Y427 WeakPolarHBondContact O-CE1 3.39Å |
| 423 | F | 58.8 | Low | 67 | Low | 192 Ų | 192 | 60.7 Ų | 60.7 | 84% | 0.842 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | 5.4 | 177.4 | -53.5 | -72.2 | 0 | 0 | 0 | 112.1 | G421 | G421-F423 PolarHBondContact O-N 2.83Š|
| 424 | G | 57.6 | Low | 66.3 | Low | 11 Ų | 11 | 60.8 Ų | 60.8 | 11% | 0.113 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -72.2 | 164.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | G421 G426 Y427 | G421-G424 PolarHBondContact O-N 2.72Å; G424-G426 PolarHBondContact O-N 2.61Å; G424-Y427 WeakPolarHBondContact O-CB 3.39Å; G424-Y427 PolarHBondContact O-N 2.79Å; G424-Y427 VanDerWaalsContact O-N 3.12Å |
| 425 | R | 54.3 | Low | 65.9 | Low | 178 Ų | 178 | 62.2 Ų | 62.2 | 67% | 0.672 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 124.5 | -178.2 | -160.2 | -170.5 | -170 | -131.5 | 2.2 | 111 | Q277 Y427 | Q277-R425 VanDerWaalsContact OE1-CB 3.32Å; Q277-R425 VanDerWaalsContact OE1-CD 3.25Å; R425-Y427 VanDerWaalsContact C-N 3.29Å; R425-Y427 PolarHBondContact O-N 3.38Å |
| 426 | G | 54.5 | Low | 65.4 | Low | 30 Ų | 30 | 67.5 Ų | 67.5 | 31% | 0.309 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 24.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G424 S432 | G424-G426 PolarHBondContact O-N 2.61Å; G426-S432 WeakPolarHBondContact O-CB 3.18Å; G426-S432 PolarHBondContact O-OG 3.33Å |
| 427 | Y | 56.5 | Low | 65.4 | Low | 86 Ų | 86 | 63.2 Ų | 63.2 | 34% | 0.337 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -75.2 | 129.6 | 161.5 | -171.4 | -94.2 | 0 | 0 | 0 | 110.3 | P422 G424 R425 E429 S432 D436 | P422-Y427 VanDerWaalsContact C-CD1 3.5Å; P422-Y427 VanDerWaalsContact CA-CZ 3.48Å; P422-Y427 HydrophobicContact CB-CD1 4.22Å; P422-Y427 HydrophobicContact CB-CE1 3.64Å; P422-Y427 HydrophobicContact CB-CE2 4.05Å; P422-Y427 WeakPolarHBondContact O-CD1 3.43Å; P422-Y427 WeakPolarHBondContact O-CE1 3.39Å; G424-Y427 WeakPolarHBondContact O-CB 3.39Å; G424-Y427 PolarHBondContact O-N 2.79Å; G424-Y427 VanDerWaalsContact O-N 3.12Å; R425-Y427 VanDerWaalsContact C-N 3.29Å; R425-Y427 PolarHBondContact O-N 3.38Å; Y427-E429 PolarHBondContact O-N 3.48Å; Y427-S432 VanDerWaalsContact C-OG 3.29Å; Y427-S432 WeakPolarHBondContact CA-OG 3.16Å; Y427-D436 WeakPolarHBondContact CE1-OD2 3.23Å; Y427-D436 PolarHBondContact OH-OD1 3.23Å; Y427-D436 PolarHBondContact OH-OD2 2.62Å |
| 428 | G | 61.1 | Low | 66.1 | Low | 43 Ų | 43 | 68.3 Ų | 68.3 | 44% | 0.443 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 2.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S432 | G428-S432 PolarHBondContact N-OG 3.12Š|
| 429 | E | 68.6 | Low | 67.4 | Low | 62 Ų | 62 | 74 Ų | 74 | 29% | 0.29 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -132.8 | 157.5 | -180 | -61.6 | -168.3 | 153.4 | 0 | 0 | 111.6 | R270 Y427 I431 S432 Y516 | R270-E429 IonicContact CZ-OE1 3.85Å; R270-E429 IonicContact CZ-OE2 3.98Å; R270-E429 IonicContact NE-OE1 3.88Å; R270-E429 IonicContact NH1-OE1 2.76Å; R270-E429 PolarHBondContact NH1-OE1 3.28Å; R270-E429 IonicContact NH1-OE2 3.53Å; R270-E429 IonicContact NH2-OE1 3.46Å; R270-E429 PolarHBondContact NH2-OE1 3.5Å; Y427-E429 PolarHBondContact O-N 3.48Å; E429-I431 PolarHBondContact O-N 3.06Å; E429-S432 PolarHBondContact N-OG 3.21Å; E429-S432 PolarHBondContact O-N 2.96Å; E429-S432 VanDerWaalsContact O-N 3.14Å; E429-S432 PolarHBondContact O-OG 2.78Å; E429-S432 VanDerWaalsContact O-OG 3.12Å; E429-Y516 HydrophobicContact CB-CE1 4.32Å; E429-Y516 PolarHBondContact OE2-OH 2.97Å |
| 430 | G | 84.1 | Confident | 69.2 | Low | 5 Ų | 5 | 69 Ų | 69 | 5% | 0.052 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | -124.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | S432 A433 I511 | G430-S432 VanDerWaalsContact C-N 3.3Å; G430-S432 PolarHBondContact O-N 3.17Å; G430-A433 WeakPolarHBondContact O-CB 3.21Å; G430-A433 PolarHBondContact O-N 3.12Å; G430-I511 WeakPolarHBondContact O-CD1 3.48Å |
| 431 | I | 83.3 | Confident | 71 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 13% | 0.133 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -25.4 | -178.1 | -68.4 | -67.5 | 0 | 0 | 0 | 113.7 | E429 A433 L508 I511 E517 L518 P519 P523 H525 L526 | E429-I431 PolarHBondContact O-N 3.06Å; I431-A433 VanDerWaalsContact C-N 3.34Å; I431-L508 HydrophobicContact CD1-CD2 3.58Å; I431-I511 HydrophobicContact CD1-CD1 3.87Å; I431-I511 HydrophobicContact CD1-CG2 3.91Å; I431-I511 HydrophobicContact CG1-CG2 3.94Å; I431-E517 WeakPolarHBondContact CG1-O 3.47Å; I431-L518 HydrophobicContact CD1-CD2 4.39Å; I431-P519 VanDerWaalsContact CD1-CD 3.41Å; I431-P519 HydrophobicContact CD1-CG 4.05Å; I431-P519 HydrophobicContact CG1-CG 4.39Å; I431-P519 HydrophobicContact CG2-CB 4.19Å; I431-P519 HydrophobicContact CG2-CG 3.96Å; I431-P523 HydrophobicContact CG2-CG 3.63Å; I431-H525 PolarHBondContact O-CE1 3.35Å; I431-H525 VanDerWaalsContact O-CE1 3.26Å; I431-H525 PolarHBondContact O-NE2 3.35Å; I431-L526 HydrophobicContact CD1-CD1 4.19Å; I431-L526 HydrophobicContact CG2-CD1 4.27Å; I431-L526 WeakPolarHBondContact O-CD1 3.37Å |
| 432 | S | 77.4 | Confident | 72.6 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -92.4 | 2.6 | 176.6 | 80.3 | 0 | 0 | 0 | 0 | 112.8 | G426 Y427 G428 E429 G430 G434 A435 | G426-S432 WeakPolarHBondContact O-CB 3.18Å; G426-S432 PolarHBondContact O-OG 3.33Å; Y427-S432 VanDerWaalsContact C-OG 3.29Å; Y427-S432 WeakPolarHBondContact CA-OG 3.16Å; G428-S432 PolarHBondContact N-OG 3.12Å; E429-S432 PolarHBondContact N-OG 3.21Å; E429-S432 PolarHBondContact O-N 2.96Å; E429-S432 VanDerWaalsContact O-N 3.14Å; E429-S432 PolarHBondContact O-OG 2.78Å; E429-S432 VanDerWaalsContact O-OG 3.12Å; G430-S432 VanDerWaalsContact C-N 3.3Å; G430-S432 PolarHBondContact O-N 3.17Å; S432-G434 PolarHBondContact O-N 3.2Å; S432-A435 WeakPolarHBondContact O-CB 3.32Å; S432-A435 PolarHBondContact O-N 2.46Å |
| 433 | A | 78.6 | Confident | 74.4 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 126.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | G430 I431 A435 I441 | G430-A433 WeakPolarHBondContact O-CB 3.21Å; G430-A433 PolarHBondContact O-N 3.12Å; I431-A433 VanDerWaalsContact C-N 3.34Å; A433-A435 VanDerWaalsContact C-N 3.34Å; A433-A435 PolarHBondContact O-N 3.14Å; A433-I441 HydrophobicContact CB-CG1 4.4Å; A433-I441 WeakPolarHBondContact O-CG2 3.36Å |
| 434 | G | 75.9 | Confident | 75.8 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 17.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | S432 D436 A437 | S432-G434 PolarHBondContact O-N 3.2Å; G434-D436 PolarHBondContact O-N 3.37Å; G434-A437 WeakPolarHBondContact O-CB 3.33Å; G434-A437 PolarHBondContact O-N 3.48Å |
| 435 | A | 78.1 | Confident | 77.3 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -30.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S432 A433 | S432-A435 WeakPolarHBondContact O-CB 3.32Å; S432-A435 PolarHBondContact O-N 2.46Å; A433-A435 VanDerWaalsContact C-N 3.34Å; A433-A435 PolarHBondContact O-N 3.14Å |
| 436 | D | 75.6 | Confident | 79.1 | Confident | 118 Ų | 118 | 54.2 Ų | 54.2 | 63% | 0.631 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 5.5 | 175.4 | -62.6 | -39.1 | 0 | 0 | 0 | 113.6 | Y427 G434 | Y427-D436 WeakPolarHBondContact CE1-OD2 3.23Å; Y427-D436 PolarHBondContact OH-OD1 3.23Å; Y427-D436 PolarHBondContact OH-OD2 2.62Å; G434-D436 PolarHBondContact O-N 3.37Å |
| 437 | A | 76.1 | Confident | 81 | Confident | 38 Ų | 38 | 58.2 Ų | 58.2 | 31% | 0.314 | 32% | 0.319 | S | S | . | . | trans | -82.7 | 134.1 | 179 | 0 | 0 | 0 | 0 | 0 | 109.9 | G434 D439 | G434-A437 WeakPolarHBondContact O-CB 3.33Å; G434-A437 PolarHBondContact O-N 3.48Å; A437-D439 WeakPolarHBondContact CB-O 3.42Å; A437-D439 PolarHBondContact O-N 3.28Å | ||
| 438 | D | 74.9 | Confident | 82.7 | Confident | 164 Ų | 164 | 60.6 Ų | 60.6 | 88% | 0.877 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -63.4 | -29 | 172.9 | -66.4 | -41.2 | 0 | 0 | 0 | 111.5 | ||
| 439 | D | 83.9 | Confident | 84.3 | Confident | 130 Ų | 130 | 59.4 Ų | 59.4 | 70% | 0.695 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -102.6 | 151.9 | 179.8 | -65.6 | -37.6 | 0 | 0 | 0 | 112.5 | A437 I441 | A437-D439 WeakPolarHBondContact CB-O 3.42Å; A437-D439 PolarHBondContact O-N 3.28Å; D439-I441 PolarHBondContact O-N 3.15Å |
| 440 | W | 91.8 | Very high | 85.5 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | trans | -62.3 | 119.7 | 175.7 | -174.8 | 48.9 | 0 | 0 | 0 | 110.9 | V442 S443 E500 A503 L504 L526 P528 P529 | W440-V442 HydrophobicContact CD2-CB 3.76Å; W440-V442 HydrophobicContact CD2-CG2 4.18Å; W440-V442 HydrophobicContact CE3-CB 3.95Å; W440-V442 HydrophobicContact CG-CB 4.49Å; W440-V442 HydrophobicContact CH2-CB 3.71Å; W440-V442 HydrophobicContact CH2-CG1 3.74Å; W440-V442 HydrophobicContact CH2-CG2 4.26Å; W440-V442 HydrophobicContact CZ2-CB 3.53Å; W440-V442 HydrophobicContact CZ2-CG1 3.91Å; W440-V442 HydrophobicContact CZ2-CG2 3.58Å; W440-V442 HydrophobicContact CZ3-CB 3.93Å; W440-V442 HydrophobicContact CZ3-CG1 4.13Å; W440-V442 PolarHBondContact O-N 2.95Å; W440-V442 VanDerWaalsContact O-N 3.09Å; W440-S443 WeakPolarHBondContact O-CB 3.43Å; W440-S443 PolarHBondContact O-N 2.87Å; W440-S443 PolarHBondContact O-OG 3.32Å; W440-E500 HydrophobicContact CH2-CB 3.98Å; W440-E500 WeakPolarHBondContact CH2-O 3.38Å; W440-E500 HydrophobicContact CZ3-CB 4.14Å; W440-E500 HydrophobicContact CZ3-CG 4.42Å; W440-A503 HydrophobicContact CH2-CB 4.23Å; W440-L504 HydrophobicContact CZ2-CB 4.1Å; W440-L526 PolarHBondContact NE1-O 3.39Å; W440-P528 HydrophobicContact CH2-CB 4.28Å; W440-P528 HydrophobicContact CH2-CG 4.31Å; W440-P528 HydrophobicContact CZ2-CB 4.13Å; W440-P528 HydrophobicContact CZ2-CG 3.91Å; W440-P529 HydrophobicContact CB-CG 3.89Å; W440-P529 HydrophobicContact CD2-CG 4.33Å; W440-P529 HydrophobicContact CE3-CG 4.25Å; W440-P529 HydrophobicContact CG-CG 4.22Å | ||
| 441 | I | 89.6 | Confident | 86 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -57.6 | -32.8 | -171 | -167.5 | 60.7 | 0 | 0 | 0 | 113.4 | A433 D439 S443 R444 L526 | A433-I441 HydrophobicContact CB-CG1 4.4Å; A433-I441 WeakPolarHBondContact O-CG2 3.36Å; D439-I441 PolarHBondContact O-N 3.15Å; I441-S443 PolarHBondContact O-N 3.26Å; I441-R444 WeakPolarHBondContact O-CG 3.34Å; I441-R444 PolarHBondContact O-N 3.09Å; I441-L526 HydrophobicContact CG2-CD2 3.53Å |
| 442 | V | 91.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -67.3 | -24.5 | -179.7 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | W440 R444 D445 K446 Y449 A503 H507 | W440-V442 HydrophobicContact CD2-CB 3.76Å; W440-V442 HydrophobicContact CD2-CG2 4.18Å; W440-V442 HydrophobicContact CE3-CB 3.95Å; W440-V442 HydrophobicContact CG-CB 4.49Å; W440-V442 HydrophobicContact CH2-CB 3.71Å; W440-V442 HydrophobicContact CH2-CG1 3.74Å; W440-V442 HydrophobicContact CH2-CG2 4.26Å; W440-V442 HydrophobicContact CZ2-CB 3.53Å; W440-V442 HydrophobicContact CZ2-CG1 3.91Å; W440-V442 HydrophobicContact CZ2-CG2 3.58Å; W440-V442 HydrophobicContact CZ3-CB 3.93Å; W440-V442 HydrophobicContact CZ3-CG1 4.13Å; W440-V442 PolarHBondContact O-N 2.95Å; W440-V442 VanDerWaalsContact O-N 3.09Å; V442-R444 PolarHBondContact O-N 3.16Å; V442-D445 PolarHBondContact O-N 3.34Å; V442-D445 VanDerWaalsContact O-N 3.09Å; V442-K446 PolarHBondContact O-N 3.22Å; V442-Y449 HydrophobicContact CG1-CD2 4.19Å; V442-Y449 HydrophobicContact CG1-CE2 4.01Å; V442-A503 HydrophobicContact CG1-CB 3.83Å; V442-H507 HydrophobicContact CG1-CB 4.07Å; V442-H507 HydrophobicContact CG2-CB 3.95Å |
| 443 | S | 89.7 | Confident | 87.4 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -56.9 | -24.6 | 176.8 | -61.7 | 0 | 0 | 0 | 0 | 113.3 | W440 I441 | W440-S443 WeakPolarHBondContact O-CB 3.43Å; W440-S443 PolarHBondContact O-N 2.87Å; W440-S443 PolarHBondContact O-OG 3.32Å; I441-S443 PolarHBondContact O-N 3.26Å |
| 444 | R | 88.8 | Confident | 88.1 | Confident | 177 Ų | 177 | 70.3 Ų | 70.3 | 67% | 0.668 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -63.6 | -40.8 | 177.3 | -64.3 | -176.9 | 179.6 | -176.7 | 2.2 | 112.6 | I441 V442 H447 | I441-R444 WeakPolarHBondContact O-CG 3.34Å; I441-R444 PolarHBondContact O-N 3.09Å; V442-R444 PolarHBondContact O-N 3.16Å; R444-H447 PolarHBondContact O-CE1 2.81Å; R444-H447 PolarHBondContact O-ND1 2.97Å |
| 445 | D | 89.8 | Confident | 89 | Confident | 46 Ų | 46 | 74.6 Ų | 74.6 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -2.9 | -178.4 | -73.1 | -67.6 | 0 | 0 | 0 | 113 | V442 H447 R448 Y449 | V442-D445 PolarHBondContact O-N 3.34Å; V442-D445 VanDerWaalsContact O-N 3.09Å; D445-H447 VanDerWaalsContact C-N 3.26Å; D445-H447 PolarHBondContact O-N 2.79Å; D445-H447 VanDerWaalsContact O-N 3.12Å; D445-R448 WeakPolarHBondContact O-CB 3.38Å; D445-R448 PolarHBondContact O-N 3.48Å; D445-R448 IonicContact OD1-NH1 3.88Å; D445-R448 PolarHBondContact OD1-NH1 3.21Å; D445-Y449 HydrophobicContact CB-CD2 4.32Å; D445-Y449 HydrophobicContact CB-CE2 3.62Å; D445-Y449 PolarHBondContact O-N 3.16Å |
| 446 | K | 91.4 | Very high | 89.7 | Confident | 31 Ų | 31 | 74.1 Ų | 74.1 | 14% | 0.135 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -49.4 | -43 | -176.8 | -171.2 | -173.9 | -171.6 | -52.8 | 0 | 113.3 | V442 R448 Y449 D450 D499 A503 | V442-K446 PolarHBondContact O-N 3.22Å; K446-R448 PolarHBondContact O-N 3.34Å; K446-R448 VanDerWaalsContact O-N 3.16Å; K446-Y449 CarbonylContact O-C 3.59Å; K446-Y449 PolarHBondContact O-N 3.47Å; K446-D450 IonicContact NZ-OD1 2.73Å; K446-D450 PolarHBondContact NZ-OD1 3.05Å; K446-D450 IonicContact NZ-OD2 2.78Å; K446-D450 PolarHBondContact NZ-OD2 3.48Å; K446-D450 WeakPolarHBondContact O-CB 3.49Å; K446-D450 VanDerWaalsContact O-CG 3.28Å; K446-D450 PolarHBondContact O-N 3.4Å; K446-D499 IonicContact NZ-OD2 2.72Å; K446-D499 PolarHBondContact NZ-OD2 3.4Å; K446-A503 HydrophobicContact CG-CB 4.31Å |
| 447 | H | 93.3 | Very high | 90.5 | Very high | 113 Ų | 113 | 75.9 Ų | 75.9 | 52% | 0.523 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -54.2 | -37.2 | 177.9 | 68.3 | -78.4 | 0 | 0 | 0 | 113.5 | R444 D445 E451 | R444-H447 PolarHBondContact O-CE1 2.81Å; R444-H447 PolarHBondContact O-ND1 2.97Å; D445-H447 VanDerWaalsContact C-N 3.26Å; D445-H447 PolarHBondContact O-N 2.79Å; D445-H447 VanDerWaalsContact O-N 3.12Å; H447-E451 WeakPolarHBondContact O-CG 3.48Å; H447-E451 PolarHBondContact O-N 2.95Å |
| 448 | R | 93.7 | Very high | 91.3 | Very high | 137 Ų | 137 | 75.7 Ų | 75.7 | 52% | 0.517 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -73.6 | -36.4 | 178.2 | -56.2 | 173 | 64.3 | -168.8 | -0.6 | 111.3 | D445 K446 | D445-R448 WeakPolarHBondContact O-CB 3.38Å; D445-R448 PolarHBondContact O-N 3.48Å; D445-R448 IonicContact OD1-NH1 3.88Å; D445-R448 PolarHBondContact OD1-NH1 3.21Å; K446-R448 PolarHBondContact O-N 3.34Å; K446-R448 VanDerWaalsContact O-N 3.16Å |
| 449 | Y | 94.8 | Very high | 92.1 | Very high | 17 Ų | 17 | 72.9 Ų | 72.9 | 7% | 0.067 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72.6 | -37.1 | 177.3 | -54.8 | -40 | 0 | 0 | 0 | 111.3 | V442 D445 K446 E451 I452 F453 F502 A503 Q506 H507 Q510 | V442-Y449 HydrophobicContact CG1-CD2 4.19Å; V442-Y449 HydrophobicContact CG1-CE2 4.01Å; D445-Y449 HydrophobicContact CB-CD2 4.32Å; D445-Y449 HydrophobicContact CB-CE2 3.62Å; D445-Y449 PolarHBondContact O-N 3.16Å; K446-Y449 CarbonylContact O-C 3.59Å; K446-Y449 PolarHBondContact O-N 3.47Å; Y449-E451 PolarHBondContact O-N 3.43Å; Y449-I452 PolarHBondContact O-N 3.41Å; Y449-F453 WeakPolarHBondContact O-CB 3.33Å; Y449-F453 PolarHBondContact O-N 3.24Å; Y449-F502 WeakPolarHBondContact O-CE1 2.84Å; Y449-A503 HydrophobicContact CD2-CB 3.79Å; Y449-A503 HydrophobicContact CG-CB 4.32Å; Y449-Q506 HydrophobicContact CD1-CB 3.53Å; Y449-Q506 HydrophobicContact CD1-CG 4.03Å; Y449-Q506 HydrophobicContact CD2-CB 4.43Å; Y449-Q506 HydrophobicContact CE1-CB 3.6Å; Y449-Q506 HydrophobicContact CE2-CB 4.47Å; Y449-Q506 HydrophobicContact CG-CB 3.98Å; Y449-Q506 HydrophobicContact CG-CG 4.43Å; Y449-H507 HydrophobicContact CE2-CB 4.45Å; Y449-Q510 PolarHBondContact OH-OE1 3.03Å; Y449-Q510 VanDerWaalsContact OH-OE1 3.1Å |
| 450 | D | 93.8 | Very high | 92.5 | Very high | 31 Ų | 31 | 74.5 Ų | 74.5 | 17% | 0.166 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 175.4 | -71.2 | -5.5 | 0 | 0 | 0 | 111.3 | K446 I452 F453 Y454 | K446-D450 IonicContact NZ-OD1 2.73Å; K446-D450 PolarHBondContact NZ-OD1 3.05Å; K446-D450 IonicContact NZ-OD2 2.78Å; K446-D450 PolarHBondContact NZ-OD2 3.48Å; K446-D450 WeakPolarHBondContact O-CB 3.49Å; K446-D450 VanDerWaalsContact O-CG 3.28Å; K446-D450 PolarHBondContact O-N 3.4Å; D450-I452 VanDerWaalsContact C-N 3.29Å; D450-I452 PolarHBondContact O-N 3.25Å; D450-F453 WeakPolarHBondContact O-CB 3.38Å; D450-F453 PolarHBondContact O-N 3.05Å; D450-Y454 HydrophobicContact CB-CD2 4.36Å; D450-Y454 HydrophobicContact CB-CE2 4.09Å; D450-Y454 WeakPolarHBondContact O-CD2 3.11Å; D450-Y454 PolarHBondContact O-N 3.09Å |
| 451 | E | 94.6 | Very high | 92.5 | Very high | 138 Ų | 138 | 76 Ų | 76 | 65% | 0.645 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -54.8 | -45.9 | 173.3 | -77.1 | 178 | -172.1 | 0 | 0 | 111.5 | H447 Y449 T455 | H447-E451 WeakPolarHBondContact O-CG 3.48Å; H447-E451 PolarHBondContact O-N 2.95Å; Y449-E451 PolarHBondContact O-N 3.43Å; E451-T455 VanDerWaalsContact O-CG2 3.29Å; E451-T455 WeakPolarHBondContact O-CG2 3.18Å; E451-T455 PolarHBondContact O-N 3.04Å |
| 452 | I | 94 | Very high | 92.7 | Very high | 57 Ų | 57 | 77.1 Ų | 77.1 | 29% | 0.292 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.5 | -46.7 | 176.7 | -58.9 | 167.7 | 0 | 0 | 0 | 109.9 | Y449 D450 Y454 T455 L456 E471 F502 | Y449-I452 PolarHBondContact O-N 3.41Å; D450-I452 VanDerWaalsContact C-N 3.29Å; D450-I452 PolarHBondContact O-N 3.25Å; I452-Y454 VanDerWaalsContact C-N 3.32Å; I452-Y454 PolarHBondContact O-N 3.17Å; I452-T455 PolarHBondContact O-N 3.39Å; I452-T455 PolarHBondContact O-OG1 2.86Å; I452-L456 PolarHBondContact O-N 3.34Å; I452-E471 HydrophobicContact CG2-CG 4.03Å; I452-F502 HydrophobicContact CB-CE1 4.08Å; I452-F502 HydrophobicContact CB-CZ 4.38Å; I452-F502 HydrophobicContact CG2-CE1 3.98Å; I452-F502 HydrophobicContact CG2-CZ 3.77Å |
| 453 | F | 95.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 77.2 Ų | 77.2 | 1% | 0.009 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -53 | -48 | -179 | -179.2 | -102.5 | 0 | 0 | 0 | 112 | Y449 D450 T455 L456 P458 G461 I463 D498 D499 F502 | Y449-F453 WeakPolarHBondContact O-CB 3.33Å; Y449-F453 PolarHBondContact O-N 3.24Å; D450-F453 WeakPolarHBondContact O-CB 3.38Å; D450-F453 PolarHBondContact O-N 3.05Å; F453-T455 VanDerWaalsContact C-N 3.32Å; F453-T455 PolarHBondContact O-N 3.34Å; F453-L456 WeakPolarHBondContact O-CB 3.39Å; F453-L456 PolarHBondContact O-N 2.93Å; F453-L456 VanDerWaalsContact O-N 3.08Å; F453-P458 HydrophobicContact CD1-CB 4.46Å; F453-P458 HydrophobicContact CD1-CG 4.06Å; F453-P458 HydrophobicContact CE1-CB 3.66Å; F453-P458 HydrophobicContact CE1-CG 3.63Å; F453-P458 HydrophobicContact CZ-CB 3.76Å; F453-P458 HydrophobicContact CZ-CG 4.24Å; F453-G461 WeakPolarHBondContact CZ-O 3.49Å; F453-I463 HydrophobicContact CD2-CD1 4.15Å; F453-I463 HydrophobicContact CD2-CG1 4.36Å; F453-I463 HydrophobicContact CD2-CG2 3.98Å; F453-I463 HydrophobicContact CE2-CB 4.27Å; F453-I463 HydrophobicContact CE2-CD1 4.17Å; F453-I463 HydrophobicContact CE2-CG1 3.89Å; F453-I463 HydrophobicContact CE2-CG2 3.63Å; F453-I463 HydrophobicContact CZ-CG2 4.08Å; F453-D498 WeakPolarHBondContact CE2-O 3.08Å; F453-D499 HydrophobicContact CD1-CB 3.94Å; F453-D499 HydrophobicContact CE1-CB 3.79Å; F453-D499 HydrophobicContact CE2-CB 4.5Å; F453-D499 HydrophobicContact CG-CB 4.36Å; F453-D499 HydrophobicContact CZ-CB 4.09Å; F453-F502 HydrophobicContact CB-CD1 3.69Å; F453-F502 HydrophobicContact CB-CE1 3.97Å; F453-F502 HydrophobicContact CB-CG 4.44Å; F453-F502 HydrophobicContact CD2-CB 3.58Å; F453-F502 AromaticContact CD2-CD1 3.79Å; F453-F502 HydrophobicContact CD2-CD1 3.79Å; F453-F502 HydrophobicContact CD2-CD2 4.4Å; F453-F502 AromaticContact CD2-CG 3.67Å; F453-F502 HydrophobicContact CD2-CG 3.67Å; F453-F502 HydrophobicContact CE2-CB 4Å; F453-F502 HydrophobicContact CE2-CG 4.47Å; F453-F502 HydrophobicContact CG-CD1 4.22Å |
| 454 | Y | 94 | Very high | 93.2 | Very high | 139 Ų | 139 | 77.6 Ų | 77.6 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.8 | -27 | -179.8 | -69.1 | -60.2 | 0 | 0 | 0 | 113.4 | D450 I452 L456 M457 P458 | D450-Y454 HydrophobicContact CB-CD2 4.36Å; D450-Y454 HydrophobicContact CB-CE2 4.09Å; D450-Y454 WeakPolarHBondContact O-CD2 3.11Å; D450-Y454 PolarHBondContact O-N 3.09Å; I452-Y454 VanDerWaalsContact C-N 3.32Å; I452-Y454 PolarHBondContact O-N 3.17Å; Y454-L456 PolarHBondContact O-N 3.43Å; Y454-M457 PolarHBondContact O-N 2.91Å; Y454-P458 HydrophobicContact CD1-CG 3.88Å; Y454-P458 HydrophobicContact CE1-CG 4.32Å |
| 455 | T | 94.1 | Very high | 93.3 | Very high | 105 Ų | 105 | 70.2 Ų | 70.2 | 64% | 0.644 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.9 | -21.6 | 171.8 | 68 | 0 | 0 | 0 | 0 | 112.9 | E451 I452 F453 M457 | E451-T455 VanDerWaalsContact O-CG2 3.29Å; E451-T455 WeakPolarHBondContact O-CG2 3.18Å; E451-T455 PolarHBondContact O-N 3.04Å; I452-T455 PolarHBondContact O-N 3.39Å; I452-T455 PolarHBondContact O-OG1 2.86Å; F453-T455 VanDerWaalsContact C-N 3.32Å; F453-T455 PolarHBondContact O-N 3.34Å; T455-M457 PolarHBondContact O-N 2.92Å |
| 456 | L | 92.9 | Very high | 93.5 | Very high | 30 Ų | 30 | 73.3 Ų | 73.3 | 16% | 0.157 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 4.9 | 176.7 | -57.9 | 176.9 | 0 | 0 | 0 | 113.3 | I452 F453 Y454 I463 N467 E471 F502 | I452-L456 PolarHBondContact O-N 3.34Å; F453-L456 WeakPolarHBondContact O-CB 3.39Å; F453-L456 PolarHBondContact O-N 2.93Å; F453-L456 VanDerWaalsContact O-N 3.08Å; Y454-L456 PolarHBondContact O-N 3.43Å; L456-I463 HydrophobicContact CB-CG2 4Å; L456-I463 HydrophobicContact CD1-CD1 3.8Å; L456-N467 PolarHBondContact O-ND2 3.1Å; L456-E471 HydrophobicContact CD1-CB 3.96Å; L456-E471 HydrophobicContact CD1-CG 4.16Å; L456-E471 HydrophobicContact CD2-CB 4.23Å; L456-F502 HydrophobicContact CD1-CE2 3.79Å; L456-F502 HydrophobicContact CD1-CZ 3.82Å |
| 457 | M | 91.4 | Very high | 93.6 | Very high | 155 Ų | 155 | 74.9 Ų | 74.9 | 76% | 0.764 | 40% | 0.395 | S | S | * | . | trans | 54.5 | 65.3 | 176 | -57.9 | -178.2 | 70.3 | 0 | 0 | 112.8 | Y454 T455 | Y454-M457 PolarHBondContact O-N 2.91Å; T455-M457 PolarHBondContact O-N 2.92Å | ||
| 458 | P | 93.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 69.5 Ų | 69.5 | 21% | 0.214 | 37% | 0.37 | C | S | . | . | trans | -61.2 | 144.6 | 178.3 | 26.5 | -34.5 | 0 | 0 | 0 | 111.5 | F453 Y454 K462 I463 | F453-P458 HydrophobicContact CD1-CB 4.46Å; F453-P458 HydrophobicContact CD1-CG 4.06Å; F453-P458 HydrophobicContact CE1-CB 3.66Å; F453-P458 HydrophobicContact CE1-CG 3.63Å; F453-P458 HydrophobicContact CZ-CB 3.76Å; F453-P458 HydrophobicContact CZ-CG 4.24Å; Y454-P458 HydrophobicContact CD1-CG 3.88Å; Y454-P458 HydrophobicContact CE1-CG 4.32Å; P458-K462 CarbonylContact C-O 3.57Å; P458-K462 VanDerWaalsContact CA-O 3.27Å; P458-K462 WeakPolarHBondContact CA-O 3.34Å; P458-K462 WeakPolarHBondContact CB-O 3.2Å; P458-I463 HydrophobicContact CB-CG2 3.85Å | ||
| 459 | V | 91.7 | Very high | 93.6 | Very high | 106 Ų | 106 | 68.8 Ų | 68.8 | 64% | 0.642 | 37% | 0.371 | S | S | * | . | B | Isolated β-bridge | trans | -110.3 | 125.2 | 174.4 | -179.5 | 0 | 0 | 0 | 0 | 107.5 | G461 K462 | V459-G461 PolarHBondContact O-N 3.25Å; V459-K462 PolarHBondContact N-O 3.08Å; V459-K462 PolarHBondContact O-N 3.15Å; V459-K462 VanDerWaalsContact O-N 3.11Å |
| 460 | N | 91.4 | Very high | 93.5 | Very high | 163 Ų | 163 | 75.6 Ų | 75.6 | 87% | 0.872 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 36 | -174 | -58.6 | -31.5 | 0 | 0 | 0 | 113.6 | K462 | N460-K462 VanDerWaalsContact C-N 3.29Å; N460-K462 PolarHBondContact O-N 2.91Å |
| 461 | G | 91.9 | Very high | 93.6 | Very high | 38 Ų | 38 | 76.3 Ų | 76.3 | 39% | 0.392 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 9.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F453 V459 | F453-G461 WeakPolarHBondContact CZ-O 3.49Å; V459-G461 PolarHBondContact O-N 3.25Å |
| 462 | K | 94.9 | Very high | 93.6 | Very high | 43 Ų | 43 | 70 Ų | 70 | 19% | 0.187 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -127.1 | 147.4 | 176.6 | -62.5 | -160.2 | 172 | -151.5 | 0 | 112.7 | P458 V459 N460 D492 D494 M496 L497 D498 | P458-K462 CarbonylContact C-O 3.57Å; P458-K462 VanDerWaalsContact CA-O 3.27Å; P458-K462 WeakPolarHBondContact CA-O 3.34Å; P458-K462 WeakPolarHBondContact CB-O 3.2Å; V459-K462 PolarHBondContact N-O 3.08Å; V459-K462 PolarHBondContact O-N 3.15Å; V459-K462 VanDerWaalsContact O-N 3.11Å; N460-K462 VanDerWaalsContact C-N 3.29Å; N460-K462 PolarHBondContact O-N 2.91Å; K462-D492 IonicContact NZ-OD1 3.85Å; K462-D492 IonicContact NZ-OD2 2.73Å; K462-D492 PolarHBondContact NZ-OD2 3.2Å; K462-D494 WeakPolarHBondContact CD-OD2 3.3Å; K462-D494 VanDerWaalsContact NZ-CG 3.32Å; K462-D494 IonicContact NZ-OD1 3.68Å; K462-D494 IonicContact NZ-OD2 2.65Å; K462-D494 PolarHBondContact NZ-OD2 3.01Å; K462-M496 HydrophobicContact CB-CB 4.13Å; K462-M496 HydrophobicContact CB-SD 4.46Å; K462-M496 HydrophobicContact CD-CB 4.08Å; K462-M496 HydrophobicContact CD-CE 4.21Å; K462-L497 CarbonylContact C-O 3.57Å; K462-L497 WeakPolarHBondContact CA-O 3.39Å; K462-D498 HydrophobicContact CG-CB 4.11Å |
| 463 | I | 95.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 144.9 | 169.3 | 63 | 174.1 | 0 | 0 | 0 | 110.6 | F453 L456 P458 A468 M496 L497 F502 | F453-I463 HydrophobicContact CD2-CD1 4.15Å; F453-I463 HydrophobicContact CD2-CG1 4.36Å; F453-I463 HydrophobicContact CD2-CG2 3.98Å; F453-I463 HydrophobicContact CE2-CB 4.27Å; F453-I463 HydrophobicContact CE2-CD1 4.17Å; F453-I463 HydrophobicContact CE2-CG1 3.89Å; F453-I463 HydrophobicContact CE2-CG2 3.63Å; F453-I463 HydrophobicContact CZ-CG2 4.08Å; L456-I463 HydrophobicContact CB-CG2 4Å; L456-I463 HydrophobicContact CD1-CD1 3.8Å; P458-I463 HydrophobicContact CB-CG2 3.85Å; I463-A468 HydrophobicContact CD1-CB 3.71Å; I463-A468 HydrophobicContact CG1-CB 4.2Å; I463-M496 VanDerWaalsContact O-CA 3.3Å; I463-M496 WeakPolarHBondContact O-CA 3.47Å; I463-M496 VanDerWaalsContact O-CB 3.3Å; I463-M496 WeakPolarHBondContact O-CB 3.45Å; I463-L497 HydrophobicContact CD1-CB 4.46Å; I463-L497 HydrophobicContact CG1-CB 3.99Å; I463-L497 WeakPolarHBondContact CG1-O 3.47Å; I463-L497 PolarHBondContact N-O 3.31Å; I463-L497 PolarHBondContact O-N 2.76Å; I463-F502 HydrophobicContact CD1-CD2 3.45Å; I463-F502 VanDerWaalsContact CD1-CD2 3.45Å; I463-F502 HydrophobicContact CD1-CE2 3.83Å; I463-F502 HydrophobicContact CD1-CG 4.16Å |
| 464 | T | 95.3 | Very high | 93.5 | Very high | 67 Ų | 67 | 76.8 Ų | 76.8 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 152 | 176.9 | 66.4 | 0 | 0 | 0 | 0 | 111.4 | V466 N467 A468 | T464-V466 PolarHBondContact O-N 2.97Å; T464-V466 VanDerWaalsContact O-N 3.07Å; T464-N467 PolarHBondContact O-N 3.44Å; T464-N467 PolarHBondContact OG1-N 3.06Å; T464-A468 PolarHBondContact O-N 3.46Å |
| 465 | G | 91.9 | Very high | 93.4 | Very high | 22 Ų | 22 | 71.3 Ų | 71.3 | 23% | 0.227 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57 | -24.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K469 G495 | G465-K469 WeakPolarHBondContact O-CB 3.36Å; G465-K469 PolarHBondContact O-N 3.22Å; G465-G495 PolarHBondContact N-O 3.38Å |
| 466 | V | 93 | Very high | 93.4 | Very high | 112 Ų | 112 | 77.3 Ų | 77.3 | 68% | 0.679 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68.5 | -45.5 | 173.6 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | T464 K470 | T464-V466 PolarHBondContact O-N 2.97Å; T464-V466 VanDerWaalsContact O-N 3.07Å; V466-K470 PolarHBondContact O-N 3.18Å; V466-K470 VanDerWaalsContact O-N 3.13Å |
| 467 | N | 93.4 | Very high | 93.4 | Very high | 64 Ų | 64 | 77.1 Ų | 77.1 | 34% | 0.342 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.9 | -45.6 | 178.9 | -73.4 | -1.7 | 0 | 0 | 0 | 111 | L456 T464 K469 K470 E471 | L456-N467 PolarHBondContact O-ND2 3.1Å; T464-N467 PolarHBondContact O-N 3.44Å; T464-N467 PolarHBondContact OG1-N 3.06Å; N467-K469 PolarHBondContact O-N 3.45Å; N467-K470 PolarHBondContact O-N 2.89Å; N467-E471 PolarHBondContact O-N 3.03Å; N467-E471 VanDerWaalsContact O-N 3.13Å |
| 468 | A | 93.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.7 | -48.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I463 T464 K470 E471 M472 W486 L497 | I463-A468 HydrophobicContact CD1-CB 3.71Å; I463-A468 HydrophobicContact CG1-CB 4.2Å; T464-A468 PolarHBondContact O-N 3.46Å; A468-K470 VanDerWaalsContact C-N 3.29Å; A468-K470 PolarHBondContact O-N 3.31Å; A468-E471 PolarHBondContact O-N 3.18Å; A468-E471 VanDerWaalsContact O-N 3.15Å; A468-M472 WeakPolarHBondContact O-CB 3.49Å; A468-M472 WeakPolarHBondContact O-CG 3.35Å; A468-M472 PolarHBondContact O-N 2.86Å; A468-W486 HydrophobicContact CB-CE3 4.37Å; A468-W486 HydrophobicContact CB-CH2 4.44Å; A468-W486 HydrophobicContact CB-CZ3 3.56Å; A468-L497 HydrophobicContact CB-CD1 3.8Å |
| 469 | K | 93.6 | Very high | 93.4 | Very high | 122 Ų | 122 | 77 Ų | 77 | 53% | 0.53 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.9 | -42.9 | 176.9 | 178.2 | 178.8 | 179.4 | 179.2 | 0 | 112.2 | G465 N467 E471 M472 M473 | G465-K469 WeakPolarHBondContact O-CB 3.36Å; G465-K469 PolarHBondContact O-N 3.22Å; N467-K469 PolarHBondContact O-N 3.45Å; K469-E471 VanDerWaalsContact C-N 3.32Å; K469-E471 PolarHBondContact O-N 3.31Å; K469-M472 PolarHBondContact O-N 3.11Å; K469-M473 HydrophobicContact CG-SD 4.25Å; K469-M473 WeakPolarHBondContact O-CB 3.43Å; K469-M473 VanDerWaalsContact O-CG 3.26Å; K469-M473 WeakPolarHBondContact O-CG 3.39Å; K469-M473 PolarHBondContact O-N 3.06Å |
| 470 | K | 94.1 | Very high | 93.4 | Very high | 159 Ų | 159 | 77.6 Ų | 77.6 | 69% | 0.691 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 179.2 | -174.7 | 179.9 | 176.2 | -172.3 | 0 | 111.3 | V466 N467 A468 | V466-K470 PolarHBondContact O-N 3.18Å; V466-K470 VanDerWaalsContact O-N 3.13Å; N467-K470 PolarHBondContact O-N 2.89Å; A468-K470 VanDerWaalsContact C-N 3.29Å; A468-K470 PolarHBondContact O-N 3.31Å |
| 471 | E | 94.8 | Very high | 93.5 | Very high | 46 Ų | 46 | 71.1 Ų | 71.1 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.8 | -48.2 | 176.4 | -175 | 51.8 | -134.4 | 0 | 0 | 111.9 | I452 L456 N467 A468 K469 M473 N474 F502 | I452-E471 HydrophobicContact CG2-CG 4.03Å; L456-E471 HydrophobicContact CD1-CB 3.96Å; L456-E471 HydrophobicContact CD1-CG 4.16Å; L456-E471 HydrophobicContact CD2-CB 4.23Å; N467-E471 PolarHBondContact O-N 3.03Å; N467-E471 VanDerWaalsContact O-N 3.13Å; A468-E471 PolarHBondContact O-N 3.18Å; A468-E471 VanDerWaalsContact O-N 3.15Å; K469-E471 VanDerWaalsContact C-N 3.32Å; K469-E471 PolarHBondContact O-N 3.31Å; E471-M473 PolarHBondContact O-N 2.9Å; E471-M473 VanDerWaalsContact O-N 3.14Å; E471-N474 WeakPolarHBondContact O-CB 3.43Å; E471-N474 PolarHBondContact O-N 3.3Å; E471-N474 PolarHBondContact O-ND2 3.27Å; E471-N474 PolarHBondContact OE1-ND2 3.46Å; E471-N474 PolarHBondContact OE2-ND2 3.16Å; E471-F502 HydrophobicContact CG-CE2 4.32Å; E471-F502 HydrophobicContact CG-CZ 4.06Å |
| 472 | M | 94.5 | Very high | 93.7 | Very high | 7 Ų | 7 | 69.9 Ų | 69.9 | 3% | 0.034 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.2 | -33.1 | 179.3 | -69.2 | 173.9 | 77.9 | 0 | 0 | 112.6 | A468 K469 N474 S475 L482 I485 W486 I509 | A468-M472 WeakPolarHBondContact O-CB 3.49Å; A468-M472 WeakPolarHBondContact O-CG 3.35Å; A468-M472 PolarHBondContact O-N 2.86Å; K469-M472 PolarHBondContact O-N 3.11Å; M472-N474 PolarHBondContact O-N 2.92Å; M472-S475 WeakPolarHBondContact O-CB 3.16Å; M472-S475 PolarHBondContact O-N 3.22Å; M472-S475 PolarHBondContact O-OG 2.88Å; M472-L482 HydrophobicContact CB-CD2 4.15Å; M472-L482 HydrophobicContact CE-CD2 4.36Å; M472-I485 HydrophobicContact CE-CB 3.93Å; M472-I485 HydrophobicContact CE-CG2 3.63Å; M472-W486 HydrophobicContact SD-CE3 4.24Å; M472-I509 HydrophobicContact CB-CD1 4.07Å; M472-I509 HydrophobicContact CE-CD1 4.3Å; M472-I509 HydrophobicContact CG-CD1 3.93Å |
| 473 | M | 94.1 | Very high | 93.7 | Very high | 96 Ų | 96 | 69.8 Ų | 69.8 | 47% | 0.473 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -63.9 | -20.2 | 175.7 | -78.7 | 179.5 | 59.5 | 0 | 0 | 113.8 | K469 E471 S475 R476 L482 | K469-M473 HydrophobicContact CG-SD 4.25Å; K469-M473 WeakPolarHBondContact O-CB 3.43Å; K469-M473 VanDerWaalsContact O-CG 3.26Å; K469-M473 WeakPolarHBondContact O-CG 3.39Å; K469-M473 PolarHBondContact O-N 3.06Å; E471-M473 PolarHBondContact O-N 2.9Å; E471-M473 VanDerWaalsContact O-N 3.14Å; M473-S475 PolarHBondContact O-N 2.96Å; M473-R476 PolarHBondContact O-N 3.39Å; M473-R476 VanDerWaalsContact O-N 3.11Å; M473-L482 HydrophobicContact CG-CD1 4.01Å |
| 474 | N | 93.5 | Very high | 93.7 | Very high | 104 Ų | 104 | 72.9 Ų | 72.9 | 56% | 0.556 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -63.8 | -24.9 | 176 | -64.8 | -26.2 | 0 | 0 | 0 | 112.5 | E471 M472 R476 | E471-N474 WeakPolarHBondContact O-CB 3.43Å; E471-N474 PolarHBondContact O-N 3.3Å; E471-N474 PolarHBondContact O-ND2 3.27Å; E471-N474 PolarHBondContact OE1-ND2 3.46Å; E471-N474 PolarHBondContact OE2-ND2 3.16Å; M472-N474 PolarHBondContact O-N 2.92Å; N474-R476 PolarHBondContact O-N 3.15Å |
| 475 | S | 92.4 | Very high | 93.8 | Very high | 25 Ų | 25 | 69.7 Ų | 69.7 | 18% | 0.175 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -64.7 | -15.9 | 174.8 | 68.8 | 0 | 0 | 0 | 0 | 114.1 | M472 M473 L477 | M472-S475 WeakPolarHBondContact O-CB 3.16Å; M472-S475 PolarHBondContact O-N 3.22Å; M472-S475 PolarHBondContact O-OG 2.88Å; M473-S475 PolarHBondContact O-N 2.96Å; S475-L477 PolarHBondContact O-N 3.5Å; S475-L477 PolarHBondContact OG-N 3.36Å |
| 476 | R | 93.9 | Very high | 94 | Very high | 231 Ų | 231 | 71.3 Ų | 71.3 | 87% | 0.872 | 37% | 0.365 | S | S | * | . | trans | 60 | 17.8 | -174.2 | -51.2 | -177.5 | -178.1 | -176.9 | 0.2 | 114.5 | M473 N474 | M473-R476 PolarHBondContact O-N 3.39Å; M473-R476 VanDerWaalsContact O-N 3.11Å; N474-R476 PolarHBondContact O-N 3.15Å | ||
| 477 | L | 92.9 | Very high | 94.1 | Very high | 26 Ų | 26 | 73.7 Ų | 73.7 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | trans | -70.1 | 150.6 | 171.5 | -69 | 174 | 0 | 0 | 0 | 111 | S475 V481 L482 I485 I509 K512 L513 | S475-L477 PolarHBondContact O-N 3.5Å; S475-L477 PolarHBondContact OG-N 3.36Å; L477-V481 HydrophobicContact CB-CG1 4.41Å; L477-V481 HydrophobicContact CD1-CG1 4.25Å; L477-L482 HydrophobicContact CB-CD2 3.81Å; L477-L482 HydrophobicContact CB-CG 4Å; L477-L482 HydrophobicContact CD1-CD2 4.15Å; L477-I485 HydrophobicContact CD1-CD1 4.1Å; L477-I509 HydrophobicContact CD1-CB 4.45Å; L477-I509 HydrophobicContact CD1-CG1 4.27Å; L477-I509 HydrophobicContact CD1-CG2 4.11Å; L477-K512 HydrophobicContact CD1-CB 4.19Å; L477-K512 HydrophobicContact CD1-CG 4.22Å; L477-K512 HydrophobicContact CD2-CG 4.11Å; L477-L513 HydrophobicContact CD2-CD2 3.99Å; L477-L513 HydrophobicContact CG-CD2 4.25Å | ||
| 478 | P | 94.6 | Very high | 94.2 | Very high | 75 Ų | 75 | 71.3 Ų | 71.3 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | trans | -58.1 | 144.7 | 175.3 | -23.5 | 33.2 | 0 | 0 | 0 | 112.2 | T480 V481 L482 | P478-T480 PolarHBondContact O-N 3.05Å; P478-T480 VanDerWaalsContact O-N 3.09Å; P478-V481 HydrophobicContact CB-CG2 4.21Å; P478-V481 HydrophobicContact CG-CG2 4.22Å; P478-V481 WeakPolarHBondContact O-CA 3.45Å; P478-V481 WeakPolarHBondContact O-CB 3.49Å; P478-V481 PolarHBondContact O-N 3.24Å; P478-L482 PolarHBondContact O-N 2.95Å | ||
| 479 | N | 90.4 | Very high | 94.3 | Very high | 111 Ų | 111 | 71.3 Ų | 71.3 | 59% | 0.594 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -55.7 | -31.5 | 179.4 | -78.9 | -27.6 | 0 | 0 | 0 | 113.5 | V481 G483 | N479-V481 VanDerWaalsContact C-N 3.33Å; N479-G483 PolarHBondContact O-N 3.09Å |
| 480 | T | 92.8 | Very high | 94.4 | Very high | 118 Ų | 118 | 66.2 Ų | 66.2 | 72% | 0.724 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.8 | -37.5 | 175.6 | 50 | 0 | 0 | 0 | 0 | 112.2 | P478 K484 | P478-T480 PolarHBondContact O-N 3.05Å; P478-T480 VanDerWaalsContact O-N 3.09Å; T480-K484 PolarHBondContact O-N 3.39Å |
| 481 | V | 92.9 | Very high | 94.3 | Very high | 27 Ų | 27 | 60.8 Ų | 60.8 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.5 | -46.7 | 177.1 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | L477 P478 N479 G483 K484 I485 K512 L518 | L477-V481 HydrophobicContact CB-CG1 4.41Å; L477-V481 HydrophobicContact CD1-CG1 4.25Å; P478-V481 HydrophobicContact CB-CG2 4.21Å; P478-V481 HydrophobicContact CG-CG2 4.22Å; P478-V481 WeakPolarHBondContact O-CA 3.45Å; P478-V481 WeakPolarHBondContact O-CB 3.49Å; P478-V481 PolarHBondContact O-N 3.24Å; N479-V481 VanDerWaalsContact C-N 3.33Å; V481-G483 VanDerWaalsContact C-N 3.29Å; V481-G483 PolarHBondContact O-N 2.96Å; V481-K484 WeakPolarHBondContact O-CA 3.33Å; V481-K484 WeakPolarHBondContact O-CB 3.39Å; V481-K484 PolarHBondContact O-N 3.39Å; V481-I485 HydrophobicContact CG1-CD1 4.2Å; V481-I485 WeakPolarHBondContact O-CG1 3.47Å; V481-I485 PolarHBondContact O-N 2.99Å; V481-K512 HydrophobicContact CG1-CD 4.47Å; V481-K512 HydrophobicContact CG1-CG 3.76Å; V481-L518 HydrophobicContact CG1-CD1 3.94Å |
| 482 | L | 95.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.4 | -38.3 | 176.8 | -66.1 | -179.8 | 0 | 0 | 0 | 112.3 | M472 M473 L477 P478 K484 I485 W486 I509 | M472-L482 HydrophobicContact CB-CD2 4.15Å; M472-L482 HydrophobicContact CE-CD2 4.36Å; M473-L482 HydrophobicContact CG-CD1 4.01Å; L477-L482 HydrophobicContact CB-CD2 3.81Å; L477-L482 HydrophobicContact CB-CG 4Å; L477-L482 HydrophobicContact CD1-CD2 4.15Å; P478-L482 PolarHBondContact O-N 2.95Å; L482-K484 VanDerWaalsContact C-N 3.34Å; L482-K484 PolarHBondContact O-N 2.99Å; L482-I485 HydrophobicContact CD2-CD1 4.46Å; L482-I485 PolarHBondContact O-N 3.17Å; L482-W486 WeakPolarHBondContact O-CB 3.21Å; L482-W486 PolarHBondContact O-N 3.43Å; L482-I509 HydrophobicContact CD2-CD1 4.34Å; L482-I509 HydrophobicContact CD2-CG1 4.39Å |
| 483 | G | 94.7 | Very high | 94 | Very high | 41 Ų | 41 | 69.1 Ų | 69.1 | 42% | 0.423 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N479 V481 K487 | N479-G483 PolarHBondContact O-N 3.09Å; V481-G483 VanDerWaalsContact C-N 3.29Å; V481-G483 PolarHBondContact O-N 2.96Å; G483-K487 PolarHBondContact O-N 2.94Å; G483-K487 VanDerWaalsContact O-N 3.15Å |
| 484 | K | 95.5 | Very high | 93.9 | Very high | 66 Ų | 66 | 67.6 Ų | 67.6 | 29% | 0.287 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 173 | -176.2 | 171.6 | 174.5 | 176.8 | 0 | 111.4 | T480 V481 L482 K487 L488 L518 P519 N520 | T480-K484 PolarHBondContact O-N 3.39Å; V481-K484 WeakPolarHBondContact O-CA 3.33Å; V481-K484 WeakPolarHBondContact O-CB 3.39Å; V481-K484 PolarHBondContact O-N 3.39Å; L482-K484 VanDerWaalsContact C-N 3.34Å; L482-K484 PolarHBondContact O-N 2.99Å; K484-K487 PolarHBondContact O-N 3.36Å; K484-L488 HydrophobicContact CG-CD1 4.27Å; K484-L488 WeakPolarHBondContact O-CG 3.29Å; K484-L488 PolarHBondContact O-N 2.91Å; K484-L488 VanDerWaalsContact O-N 3.16Å; K484-L518 HydrophobicContact CD-CB 4.22Å; K484-L518 HydrophobicContact CG-CD1 4.49Å; K484-L518 PolarHBondContact NZ-O 3.3Å; K484-P519 WeakPolarHBondContact CE-O 3.3Å; K484-P519 PolarHBondContact NZ-O 2.93Å; K484-P519 VanDerWaalsContact NZ-O 3.16Å; K484-N520 PolarHBondContact NZ-OD1 3.4Å; K484-N520 VanDerWaalsContact NZ-OD1 3.09Å |
| 485 | I | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63 | -46.8 | 176.1 | -65.4 | 173 | 0 | 0 | 0 | 110.8 | M472 L477 V481 L482 K487 L488 A489 A505 L508 I509 L518 | M472-I485 HydrophobicContact CE-CB 3.93Å; M472-I485 HydrophobicContact CE-CG2 3.63Å; L477-I485 HydrophobicContact CD1-CD1 4.1Å; V481-I485 HydrophobicContact CG1-CD1 4.2Å; V481-I485 WeakPolarHBondContact O-CG1 3.47Å; V481-I485 PolarHBondContact O-N 2.99Å; L482-I485 HydrophobicContact CD2-CD1 4.46Å; L482-I485 PolarHBondContact O-N 3.17Å; I485-K487 VanDerWaalsContact C-N 3.31Å; I485-K487 PolarHBondContact O-N 3.24Å; I485-L488 PolarHBondContact O-N 3.01Å; I485-A489 WeakPolarHBondContact O-CB 3.37Å; I485-A489 PolarHBondContact O-N 3.09Å; I485-A505 HydrophobicContact CG2-CB 4.26Å; I485-L508 HydrophobicContact CG1-CB 4.3Å; I485-L508 HydrophobicContact CG2-CB 3.87Å; I485-L508 HydrophobicContact CG2-CD1 4.24Å; I485-I509 HydrophobicContact CD1-CB 4.44Å; I485-I509 HydrophobicContact CD1-CG1 3.62Å; I485-I509 HydrophobicContact CG2-CG1 4.35Å; I485-L518 HydrophobicContact CD1-CD1 3.96Å; I485-L518 HydrophobicContact CG1-CD1 3.4Å; I485-L518 VanDerWaalsContact CG1-CD1 3.4Å; I485-L518 HydrophobicContact CG1-CD2 4.31Å |
| 486 | W | 96.4 | Very high | 94.1 | Very high | 57 Ų | 57 | 66.5 Ų | 66.5 | 22% | 0.216 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -51.6 | -51.5 | 175 | 174.3 | -83.7 | 0 | 0 | 0 | 111.2 | A468 M472 L482 L488 A489 D490 G495 L497 | A468-W486 HydrophobicContact CB-CE3 4.37Å; A468-W486 HydrophobicContact CB-CH2 4.44Å; A468-W486 HydrophobicContact CB-CZ3 3.56Å; M472-W486 HydrophobicContact SD-CE3 4.24Å; L482-W486 WeakPolarHBondContact O-CB 3.21Å; L482-W486 PolarHBondContact O-N 3.43Å; W486-L488 PolarHBondContact O-N 2.9Å; W486-A489 PolarHBondContact O-N 3.4Å; W486-A489 VanDerWaalsContact O-N 3.11Å; W486-D490 HydrophobicContact CZ2-CB 4.5Å; W486-D490 PolarHBondContact NE1-OD2 3.12Å; W486-D490 WeakPolarHBondContact O-CB 3.34Å; W486-D490 PolarHBondContact O-N 3.29Å; W486-G495 WeakPolarHBondContact CZ2-O 3.45Å; W486-L497 HydrophobicContact CE3-CD1 4.09Å; W486-L497 HydrophobicContact CE3-CG 4.39Å; W486-L497 HydrophobicContact CH2-CD1 4.35Å; W486-L497 HydrophobicContact CH2-CD2 4.23Å; W486-L497 HydrophobicContact CH2-CG 3.87Å; W486-L497 HydrophobicContact CZ3-CD1 3.59Å; W486-L497 HydrophobicContact CZ3-CD2 4.09Å; W486-L497 HydrophobicContact CZ3-CG 3.61Å |
| 487 | K | 95.7 | Very high | 94.2 | Very high | 162 Ų | 162 | 55.5 Ų | 55.5 | 70% | 0.704 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.1 | -29.7 | -179.4 | -170.5 | -175.7 | 176.7 | -168.4 | 0 | 113.4 | G483 K484 I485 | G483-K487 PolarHBondContact O-N 2.94Å; G483-K487 VanDerWaalsContact O-N 3.15Å; K484-K487 PolarHBondContact O-N 3.36Å; I485-K487 VanDerWaalsContact C-N 3.31Å; I485-K487 PolarHBondContact O-N 3.24Å |
| 488 | L | 95 | Very high | 94.4 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -82.8 | -28.8 | 177.8 | -70.9 | 168.6 | 0 | 0 | 0 | 112.4 | K484 I485 W486 L508 L518 P519 L522 | K484-L488 HydrophobicContact CG-CD1 4.27Å; K484-L488 WeakPolarHBondContact O-CG 3.29Å; K484-L488 PolarHBondContact O-N 2.91Å; K484-L488 VanDerWaalsContact O-N 3.16Å; I485-L488 PolarHBondContact O-N 3.01Å; W486-L488 PolarHBondContact O-N 2.9Å; L488-L508 HydrophobicContact CB-CD1 3.78Å; L488-L508 HydrophobicContact CD1-CD1 4.33Å; L488-L518 HydrophobicContact CD1-CB 4.46Å; L488-P519 HydrophobicContact CD1-CG 4.3Å; L488-L522 HydrophobicContact CD2-CB 4.17Å |
| 489 | A | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -86.9 | -38.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I485 W486 C491 L497 E501 L504 A505 | I485-A489 WeakPolarHBondContact O-CB 3.37Å; I485-A489 PolarHBondContact O-N 3.09Å; W486-A489 PolarHBondContact O-N 3.4Å; W486-A489 VanDerWaalsContact O-N 3.11Å; A489-C491 VanDerWaalsContact C-N 3.3Å; A489-C491 PolarHBondContact O-N 3.49Å; A489-C491 PolarHBondContact O-SG 3.33Å; A489-L497 HydrophobicContact CB-CD2 4.32Å; A489-E501 WeakPolarHBondContact O-CB 3.46Å; A489-E501 WeakPolarHBondContact O-CG 3.48Å; A489-L504 HydrophobicContact CB-CG 4.49Å; A489-A505 HydrophobicContact CB-CB 3.67Å |
| 490 | D | 95.8 | Very high | 94.7 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 8% | 0.08 | 27% | 0.272 | C | S | . | . | trans | -72 | 81.2 | 175.4 | -177.3 | 3.2 | 0 | 0 | 0 | 109.3 | W486 Q493 D494 G495 L497 | W486-D490 HydrophobicContact CZ2-CB 4.5Å; W486-D490 PolarHBondContact NE1-OD2 3.12Å; W486-D490 WeakPolarHBondContact O-CB 3.34Å; W486-D490 PolarHBondContact O-N 3.29Å; D490-Q493 WeakPolarHBondContact OD1-CA 3.41Å; D490-Q493 PolarHBondContact OD1-N 3.11Å; D490-D494 PolarHBondContact OD1-N 2.9Å; D490-G495 PolarHBondContact OD2-N 3.36Å; D490-L497 HydrophobicContact CB-CD2 4.01Å | ||
| 491 | C | 91.6 | Very high | 94.9 | Very high | 44 Ų | 44 | 44.7 Ų | 44.7 | 30% | 0.297 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -76.3 | -36.4 | -168.5 | -71 | 0 | 0 | 0 | 0 | 111.3 | A489 E501 H531 | A489-C491 VanDerWaalsContact C-N 3.3Å; A489-C491 PolarHBondContact O-N 3.49Å; A489-C491 PolarHBondContact O-SG 3.33Å; C491-E501 PolarHBondContact N-OE1 2.82Å; C491-H531 HydrophobicContact CB-CB 4.1Å |
| 492 | D | 90.4 | Very high | 95.1 | Very high | 71 Ų | 71 | 43.4 Ų | 43.4 | 38% | 0.38 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -88.2 | -6.8 | 177.5 | 70.7 | 10.7 | 0 | 0 | 0 | 113.7 | K462 D494 E501 H531 | K462-D492 IonicContact NZ-OD1 3.85Å; K462-D492 IonicContact NZ-OD2 2.73Å; K462-D492 PolarHBondContact NZ-OD2 3.2Å; D492-D494 VanDerWaalsContact C-N 3.25Å; D492-D494 PolarHBondContact O-N 3.35Å; D492-D494 WeakPolarHBondContact OD1-CB 3.4Å; D492-D494 VanDerWaalsContact OD1-CG 3.25Å; D492-D494 PolarHBondContact OD1-N 2.65Å; D492-D494 VanDerWaalsContact OD1-N 3.15Å; D492-E501 PolarHBondContact N-OE1 2.95Å; D492-H531 IonicContact OD2-CE1 3.3Å |
| 493 | Q | 92.4 | Very high | 95.1 | Very high | 157 Ų | 157 | 42.9 Ų | 42.9 | 73% | 0.734 | 23% | 0.227 | S | C | * | . | trans | 60.9 | 30.2 | 176.8 | -58 | -174.9 | -9.1 | 0 | 0 | 113.5 | D490 G495 | D490-Q493 WeakPolarHBondContact OD1-CA 3.41Å; D490-Q493 PolarHBondContact OD1-N 3.11Å; Q493-G495 VanDerWaalsContact C-N 3.33Å | ||
| 494 | D | 92.4 | Very high | 95.2 | Very high | 64 Ų | 64 | 40.9 Ų | 40.9 | 34% | 0.342 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -86.2 | -5.3 | -179.3 | 87.1 | -12 | 0 | 0 | 0 | 113.7 | K462 D490 D492 M496 | K462-D494 WeakPolarHBondContact CD-OD2 3.3Å; K462-D494 VanDerWaalsContact NZ-CG 3.32Å; K462-D494 IonicContact NZ-OD1 3.68Å; K462-D494 IonicContact NZ-OD2 2.65Å; K462-D494 PolarHBondContact NZ-OD2 3.01Å; D490-D494 PolarHBondContact OD1-N 2.9Å; D492-D494 VanDerWaalsContact C-N 3.25Å; D492-D494 PolarHBondContact O-N 3.35Å; D492-D494 WeakPolarHBondContact OD1-CB 3.4Å; D492-D494 VanDerWaalsContact OD1-CG 3.25Å; D492-D494 PolarHBondContact OD1-N 2.65Å; D492-D494 VanDerWaalsContact OD1-N 3.15Å; D494-M496 VanDerWaalsContact C-N 3.29Å; D494-M496 WeakPolarHBondContact OD1-CA 3.5Å; D494-M496 WeakPolarHBondContact OD1-CB 3.47Å; D494-M496 PolarHBondContact OD1-N 3.2Å; D494-M496 WeakPolarHBondContact OD2-CE 3.34Å |
| 495 | G | 93.6 | Very high | 95.3 | Very high | 35 Ų | 35 | 37.8 Ų | 37.8 | 36% | 0.361 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 80.4 | 9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G465 W486 D490 Q493 | G465-G495 PolarHBondContact N-O 3.38Å; W486-G495 WeakPolarHBondContact CZ2-O 3.45Å; D490-G495 PolarHBondContact OD2-N 3.36Å; Q493-G495 VanDerWaalsContact C-N 3.33Å |
| 496 | M | 96 | Very high | 95.3 | Very high | 72 Ų | 72 | 38.9 Ų | 38.9 | 36% | 0.355 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 173.1 | 172.8 | -60.7 | -176.9 | -75.3 | 0 | 0 | 108.8 | K462 I463 D494 | K462-M496 HydrophobicContact CB-CB 4.13Å; K462-M496 HydrophobicContact CB-SD 4.46Å; K462-M496 HydrophobicContact CD-CB 4.08Å; K462-M496 HydrophobicContact CD-CE 4.21Å; I463-M496 VanDerWaalsContact O-CA 3.3Å; I463-M496 WeakPolarHBondContact O-CA 3.47Å; I463-M496 VanDerWaalsContact O-CB 3.3Å; I463-M496 WeakPolarHBondContact O-CB 3.45Å; D494-M496 VanDerWaalsContact C-N 3.29Å; D494-M496 WeakPolarHBondContact OD1-CA 3.5Å; D494-M496 WeakPolarHBondContact OD1-CB 3.47Å; D494-M496 PolarHBondContact OD1-N 3.2Å; D494-M496 WeakPolarHBondContact OD2-CE 3.34Å |
| 497 | L | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128.8 | 171.4 | -59.5 | 175.2 | 0 | 0 | 0 | 108.7 | K462 I463 A468 W486 A489 D490 E501 F502 A505 | K462-L497 CarbonylContact C-O 3.57Å; K462-L497 WeakPolarHBondContact CA-O 3.39Å; I463-L497 HydrophobicContact CD1-CB 4.46Å; I463-L497 HydrophobicContact CG1-CB 3.99Å; I463-L497 WeakPolarHBondContact CG1-O 3.47Å; I463-L497 PolarHBondContact N-O 3.31Å; I463-L497 PolarHBondContact O-N 2.76Å; A468-L497 HydrophobicContact CB-CD1 3.8Å; W486-L497 HydrophobicContact CE3-CD1 4.09Å; W486-L497 HydrophobicContact CE3-CG 4.39Å; W486-L497 HydrophobicContact CH2-CD1 4.35Å; W486-L497 HydrophobicContact CH2-CD2 4.23Å; W486-L497 HydrophobicContact CH2-CG 3.87Å; W486-L497 HydrophobicContact CZ3-CD1 3.59Å; W486-L497 HydrophobicContact CZ3-CD2 4.09Å; W486-L497 HydrophobicContact CZ3-CG 3.61Å; A489-L497 HydrophobicContact CB-CD2 4.32Å; D490-L497 HydrophobicContact CB-CD2 4.01Å; L497-E501 WeakPolarHBondContact CA-OE2 3.38Å; L497-E501 HydrophobicContact CB-CB 4.09Å; L497-E501 HydrophobicContact CD2-CB 3.83Å; L497-F502 HydrophobicContact CB-CB 4.36Å; L497-F502 HydrophobicContact CD1-CD2 4.37Å; L497-A505 HydrophobicContact CD1-CB 4.4Å |
| 498 | D | 96.4 | Very high | 95.2 | Very high | 22 Ų | 22 | 29.3 Ų | 29.3 | 12% | 0.118 | 16% | 0.159 | C | C | . | . | trans | -75.8 | -176.7 | 162.5 | 69.5 | 33.9 | 0 | 0 | 0 | 112 | F453 K462 E500 E501 F502 H531 | F453-D498 WeakPolarHBondContact CE2-O 3.08Å; K462-D498 HydrophobicContact CG-CB 4.11Å; D498-E500 PolarHBondContact OD1-N 2.85Å; D498-E501 PolarHBondContact N-OE2 2.91Å; D498-E501 WeakPolarHBondContact OD1-CG 3.35Å; D498-E501 PolarHBondContact OD1-N 3.28Å; D498-F502 VanDerWaalsContact O-CB 3.23Å; D498-F502 WeakPolarHBondContact O-CB 3.46Å; D498-F502 PolarHBondContact O-N 2.99Å; D498-H531 IonicContact OD1-NE2 3.16Å; D498-H531 IonicContact OD2-CD2 2.99Å; D498-H531 IonicContact OD2-CE1 3.43Å; D498-H531 IonicContact OD2-NE2 2.62Å; D498-H531 PolarHBondContact OD2-NE2 3.43Å | ||
| 499 | D | 95.8 | Very high | 95.2 | Very high | 46 Ų | 46 | 29 Ų | 29 | 25% | 0.246 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.6 | -33.1 | -177 | 62.1 | -58.9 | 0 | 0 | 0 | 113 | K446 F453 A503 | K446-D499 IonicContact NZ-OD2 2.72Å; K446-D499 PolarHBondContact NZ-OD2 3.4Å; F453-D499 HydrophobicContact CD1-CB 3.94Å; F453-D499 HydrophobicContact CE1-CB 3.79Å; F453-D499 HydrophobicContact CE2-CB 4.5Å; F453-D499 HydrophobicContact CG-CB 4.36Å; F453-D499 HydrophobicContact CZ-CB 4.09Å; D499-A503 VanDerWaalsContact O-CB 3.3Å; D499-A503 WeakPolarHBondContact O-CB 3.49Å; D499-A503 PolarHBondContact O-N 2.92Å; D499-A503 VanDerWaalsContact O-N 3.07Å |
| 500 | E | 96 | Very high | 95.1 | Very high | 34 Ų | 34 | 32.2 Ų | 32.2 | 16% | 0.159 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -77 | -41.4 | 176.4 | -54 | -164 | 142 | 0 | 0 | 111.6 | W440 D498 F502 A503 L504 P528 A530 | W440-E500 HydrophobicContact CH2-CB 3.98Å; W440-E500 WeakPolarHBondContact CH2-O 3.38Å; W440-E500 HydrophobicContact CZ3-CB 4.14Å; W440-E500 HydrophobicContact CZ3-CG 4.42Å; D498-E500 PolarHBondContact OD1-N 2.85Å; E500-F502 VanDerWaalsContact C-N 3.32Å; E500-F502 PolarHBondContact O-N 3.15Å; E500-A503 PolarHBondContact O-N 2.95Å; E500-L504 WeakPolarHBondContact O-CB 3.4Å; E500-L504 PolarHBondContact O-N 3.43Å; E500-P528 HydrophobicContact CB-CB 3.73Å; E500-P528 HydrophobicContact CB-CG 4.29Å; E500-P528 VanDerWaalsContact OE2-CB 3.29Å; E500-P528 WeakPolarHBondContact OE2-CB 3.23Å; E500-A530 WeakPolarHBondContact OE2-CB 3.5Å; E500-A530 PolarHBondContact OE2-N 3.48Å |
| 501 | E | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 175.6 | -66.9 | 178.8 | 130.4 | 0 | 0 | 111.5 | A489 C491 D492 L497 D498 L504 A505 H531 | A489-E501 WeakPolarHBondContact O-CB 3.46Å; A489-E501 WeakPolarHBondContact O-CG 3.48Å; C491-E501 PolarHBondContact N-OE1 2.82Å; D492-E501 PolarHBondContact N-OE1 2.95Å; L497-E501 WeakPolarHBondContact CA-OE2 3.38Å; L497-E501 HydrophobicContact CB-CB 4.09Å; L497-E501 HydrophobicContact CD2-CB 3.83Å; D498-E501 PolarHBondContact N-OE2 2.91Å; D498-E501 WeakPolarHBondContact OD1-CG 3.35Å; D498-E501 PolarHBondContact OD1-N 3.28Å; E501-L504 WeakPolarHBondContact O-CB 3.48Å; E501-L504 PolarHBondContact O-N 3.19Å; E501-A505 WeakPolarHBondContact O-CB 3.5Å; E501-A505 PolarHBondContact O-N 2.72Å; E501-H531 IonicContact OE1-CE1 3.74Å; E501-H531 PolarHBondContact OE1-CE1 2.99Å; E501-H531 VanDerWaalsContact OE1-CE1 3.31Å; E501-H531 IonicContact OE1-ND1 2.86Å; E501-H531 IonicContact OE1-NE2 2.59Å |
| 502 | F | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.5 | -43.2 | 173.3 | -177.6 | -102.6 | 0 | 0 | 0 | 112.3 | Y449 I452 F453 L456 I463 E471 L497 D498 E500 L504 A505 Q506 | Y449-F502 WeakPolarHBondContact O-CE1 2.84Å; I452-F502 HydrophobicContact CB-CE1 4.08Å; I452-F502 HydrophobicContact CB-CZ 4.38Å; I452-F502 HydrophobicContact CG2-CE1 3.98Å; I452-F502 HydrophobicContact CG2-CZ 3.77Å; F453-F502 HydrophobicContact CB-CD1 3.69Å; F453-F502 HydrophobicContact CB-CE1 3.97Å; F453-F502 HydrophobicContact CB-CG 4.44Å; F453-F502 HydrophobicContact CD2-CB 3.58Å; F453-F502 AromaticContact CD2-CD1 3.79Å; F453-F502 HydrophobicContact CD2-CD1 3.79Å; F453-F502 HydrophobicContact CD2-CD2 4.4Å; F453-F502 AromaticContact CD2-CG 3.67Å; F453-F502 HydrophobicContact CD2-CG 3.67Å; F453-F502 HydrophobicContact CE2-CB 4Å; F453-F502 HydrophobicContact CE2-CG 4.47Å; F453-F502 HydrophobicContact CG-CD1 4.22Å; L456-F502 HydrophobicContact CD1-CE2 3.79Å; L456-F502 HydrophobicContact CD1-CZ 3.82Å; I463-F502 HydrophobicContact CD1-CD2 3.45Å; I463-F502 VanDerWaalsContact CD1-CD2 3.45Å; I463-F502 HydrophobicContact CD1-CE2 3.83Å; I463-F502 HydrophobicContact CD1-CG 4.16Å; E471-F502 HydrophobicContact CG-CE2 4.32Å; E471-F502 HydrophobicContact CG-CZ 4.06Å; L497-F502 HydrophobicContact CB-CB 4.36Å; L497-F502 HydrophobicContact CD1-CD2 4.37Å; D498-F502 VanDerWaalsContact O-CB 3.23Å; D498-F502 WeakPolarHBondContact O-CB 3.46Å; D498-F502 PolarHBondContact O-N 2.99Å; E500-F502 VanDerWaalsContact C-N 3.32Å; E500-F502 PolarHBondContact O-N 3.15Å; F502-L504 VanDerWaalsContact C-N 3.3Å; F502-L504 PolarHBondContact O-N 2.73Å; F502-A505 WeakPolarHBondContact O-CB 3.49Å; F502-A505 PolarHBondContact O-N 3.16Å; F502-Q506 HydrophobicContact CD1-CG 4.2Å; F502-Q506 HydrophobicContact CE1-CG 3.82Å; F502-Q506 HydrophobicContact CE2-CG 4.37Å; F502-Q506 HydrophobicContact CZ-CG 3.92Å; F502-Q506 WeakPolarHBondContact O-CG 3.21Å; F502-Q506 PolarHBondContact O-N 2.79Å |
| 503 | A | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | W440 V442 K446 Y449 D499 E500 Q506 H507 | W440-A503 HydrophobicContact CH2-CB 4.23Å; V442-A503 HydrophobicContact CG1-CB 3.83Å; K446-A503 HydrophobicContact CG-CB 4.31Å; Y449-A503 HydrophobicContact CD2-CB 3.79Å; Y449-A503 HydrophobicContact CG-CB 4.32Å; D499-A503 VanDerWaalsContact O-CB 3.3Å; D499-A503 WeakPolarHBondContact O-CB 3.49Å; D499-A503 PolarHBondContact O-N 2.92Å; D499-A503 VanDerWaalsContact O-N 3.07Å; E500-A503 PolarHBondContact O-N 2.95Å; A503-Q506 PolarHBondContact O-N 3.41Å; A503-H507 WeakPolarHBondContact O-CB 3.17Å; A503-H507 PolarHBondContact O-N 2.78Å |
| 504 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 172.8 | 178 | 58.9 | 0 | 0 | 0 | 111.8 | W440 A489 E500 E501 F502 Q506 H507 L508 L522 L526 P528 | W440-L504 HydrophobicContact CZ2-CB 4.1Å; A489-L504 HydrophobicContact CB-CG 4.49Å; E500-L504 WeakPolarHBondContact O-CB 3.4Å; E500-L504 PolarHBondContact O-N 3.43Å; E501-L504 WeakPolarHBondContact O-CB 3.48Å; E501-L504 PolarHBondContact O-N 3.19Å; F502-L504 VanDerWaalsContact C-N 3.3Å; F502-L504 PolarHBondContact O-N 2.73Å; L504-Q506 VanDerWaalsContact C-N 3.31Å; L504-Q506 PolarHBondContact O-N 3Å; L504-H507 PolarHBondContact O-N 3.07Å; L504-L508 HydrophobicContact CD1-CD1 4.2Å; L504-L508 HydrophobicContact CD1-CG 4.11Å; L504-L508 HydrophobicContact CG-CD1 4.13Å; L504-L508 HydrophobicContact CG-CG 4.46Å; L504-L508 WeakPolarHBondContact O-CG 3.26Å; L504-L508 PolarHBondContact O-N 3.49Å; L504-L522 HydrophobicContact CD1-CD1 4.16Å; L504-L522 HydrophobicContact CD2-CD1 4.13Å; L504-L522 HydrophobicContact CD2-CD2 3.53Å; L504-L522 HydrophobicContact CD2-CG 4.5Å; L504-L526 HydrophobicContact CD1-CB 4.34Å; L504-P528 HydrophobicContact CB-CG 4.5Å; L504-P528 HydrophobicContact CD2-CG 4.06Å |
| 505 | A | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59 | -43.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I485 A489 L497 E501 F502 L508 I509 | I485-A505 HydrophobicContact CG2-CB 4.26Å; A489-A505 HydrophobicContact CB-CB 3.67Å; L497-A505 HydrophobicContact CD1-CB 4.4Å; E501-A505 WeakPolarHBondContact O-CB 3.5Å; E501-A505 PolarHBondContact O-N 2.72Å; F502-A505 WeakPolarHBondContact O-CB 3.49Å; F502-A505 PolarHBondContact O-N 3.16Å; A505-L508 PolarHBondContact O-N 3.23Å; A505-I509 WeakPolarHBondContact O-CG1 3.37Å; A505-I509 PolarHBondContact O-N 3.21Å |
| 506 | Q | 96.8 | Very high | 93.1 | Very high | 23 Ų | 23 | 31.9 Ų | 31.9 | 11% | 0.107 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.9 | -38.3 | 177.8 | -64.7 | -70.5 | 43.1 | 0 | 0 | 112.4 | Y449 F502 A503 L504 I509 Q510 | Y449-Q506 HydrophobicContact CD1-CB 3.53Å; Y449-Q506 HydrophobicContact CD1-CG 4.03Å; Y449-Q506 HydrophobicContact CD2-CB 4.43Å; Y449-Q506 HydrophobicContact CE1-CB 3.6Å; Y449-Q506 HydrophobicContact CE2-CB 4.47Å; Y449-Q506 HydrophobicContact CG-CB 3.98Å; Y449-Q506 HydrophobicContact CG-CG 4.43Å; F502-Q506 HydrophobicContact CD1-CG 4.2Å; F502-Q506 HydrophobicContact CE1-CG 3.82Å; F502-Q506 HydrophobicContact CE2-CG 4.37Å; F502-Q506 HydrophobicContact CZ-CG 3.92Å; F502-Q506 WeakPolarHBondContact O-CG 3.21Å; F502-Q506 PolarHBondContact O-N 2.79Å; A503-Q506 PolarHBondContact O-N 3.41Å; L504-Q506 VanDerWaalsContact C-N 3.31Å; L504-Q506 PolarHBondContact O-N 3Å; Q506-I509 WeakPolarHBondContact O-CB 3.44Å; Q506-I509 PolarHBondContact O-N 2.81Å; Q506-Q510 PolarHBondContact O-N 2.85Å |
| 507 | H | 94.6 | Very high | 92.6 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 174.1 | -173.1 | 69.3 | 0 | 0 | 0 | 112.1 | V442 Y449 A503 L504 I509 Q510 I511 | V442-H507 HydrophobicContact CG1-CB 4.07Å; V442-H507 HydrophobicContact CG2-CB 3.95Å; Y449-H507 HydrophobicContact CE2-CB 4.45Å; A503-H507 WeakPolarHBondContact O-CB 3.17Å; A503-H507 PolarHBondContact O-N 2.78Å; L504-H507 PolarHBondContact O-N 3.07Å; H507-I509 VanDerWaalsContact C-N 3.33Å; H507-I509 PolarHBondContact O-N 3.18Å; H507-Q510 WeakPolarHBondContact O-CB 3.38Å; H507-Q510 PolarHBondContact O-N 3.45Å; H507-Q510 VanDerWaalsContact O-N 3.15Å; H507-I511 WeakPolarHBondContact O-CG1 3.3Å; H507-I511 PolarHBondContact O-N 2.99Å |
| 508 | L | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65 | -35 | 175.7 | -69.2 | 175.1 | 0 | 0 | 0 | 112.5 | I431 I485 L488 L504 A505 I511 K512 L518 L522 L526 | I431-L508 HydrophobicContact CD1-CD2 3.58Å; I485-L508 HydrophobicContact CG1-CB 4.3Å; I485-L508 HydrophobicContact CG2-CB 3.87Å; I485-L508 HydrophobicContact CG2-CD1 4.24Å; L488-L508 HydrophobicContact CB-CD1 3.78Å; L488-L508 HydrophobicContact CD1-CD1 4.33Å; L504-L508 HydrophobicContact CD1-CD1 4.2Å; L504-L508 HydrophobicContact CD1-CG 4.11Å; L504-L508 HydrophobicContact CG-CD1 4.13Å; L504-L508 HydrophobicContact CG-CG 4.46Å; L504-L508 WeakPolarHBondContact O-CG 3.26Å; L504-L508 PolarHBondContact O-N 3.49Å; A505-L508 PolarHBondContact O-N 3.23Å; L508-I511 HydrophobicContact CD2-CD1 4.48Å; L508-K512 WeakPolarHBondContact O-CB 3.37Å; L508-K512 PolarHBondContact O-N 2.8Å; L508-L518 HydrophobicContact CB-CD2 4.21Å; L508-L518 HydrophobicContact CD2-CD2 4.18Å; L508-L522 HydrophobicContact CD1-CD1 4.46Å; L508-L526 HydrophobicContact CD2-CD1 4.43Å |
| 509 | I | 95.6 | Very high | 91.7 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61 | -47.5 | 170.8 | -75.1 | 169.4 | 0 | 0 | 0 | 110 | M472 L477 L482 I485 A505 Q506 H507 K512 L513 | M472-I509 HydrophobicContact CB-CD1 4.07Å; M472-I509 HydrophobicContact CE-CD1 4.3Å; M472-I509 HydrophobicContact CG-CD1 3.93Å; L477-I509 HydrophobicContact CD1-CB 4.45Å; L477-I509 HydrophobicContact CD1-CG1 4.27Å; L477-I509 HydrophobicContact CD1-CG2 4.11Å; L482-I509 HydrophobicContact CD2-CD1 4.34Å; L482-I509 HydrophobicContact CD2-CG1 4.39Å; I485-I509 HydrophobicContact CD1-CB 4.44Å; I485-I509 HydrophobicContact CD1-CG1 3.62Å; I485-I509 HydrophobicContact CG2-CG1 4.35Å; A505-I509 WeakPolarHBondContact O-CG1 3.37Å; A505-I509 PolarHBondContact O-N 3.21Å; Q506-I509 WeakPolarHBondContact O-CB 3.44Å; Q506-I509 PolarHBondContact O-N 2.81Å; H507-I509 VanDerWaalsContact C-N 3.33Å; H507-I509 PolarHBondContact O-N 3.18Å; I509-K512 PolarHBondContact O-N 2.73Å; I509-L513 HydrophobicContact CG2-CD1 3.79Å; I509-L513 HydrophobicContact CG2-CG 4.29Å; I509-L513 WeakPolarHBondContact O-CG 3.49Å; I509-L513 PolarHBondContact O-N 3.26Å |
| 510 | Q | 92.6 | Very high | 91.2 | Very high | 67 Ų | 67 | 40.7 Ų | 40.7 | 31% | 0.313 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 179.1 | -178.4 | 174.9 | -12.4 | 0 | 0 | 111.8 | Y449 Q506 H507 K512 L513 E514 | Y449-Q510 PolarHBondContact OH-OE1 3.03Å; Y449-Q510 VanDerWaalsContact OH-OE1 3.1Å; Q506-Q510 PolarHBondContact O-N 2.85Å; H507-Q510 WeakPolarHBondContact O-CB 3.38Å; H507-Q510 PolarHBondContact O-N 3.45Å; H507-Q510 VanDerWaalsContact O-N 3.15Å; Q510-K512 PolarHBondContact O-N 3.39Å; Q510-L513 PolarHBondContact O-N 2.9Å; Q510-L513 VanDerWaalsContact O-N 3.08Å; Q510-E514 HydrophobicContact CG-CG 4.49Å; Q510-E514 PolarHBondContact O-N 3.14Å; Q510-E514 WeakPolarHBondContact O-CG 3.34Å; Q510-E514 PolarHBondContact NE2-OE1 2.98Å; Q510-E514 WeakPolarHBondContact CG-OE1 3.36Å |
| 511 | I | 89.8 | Confident | 90.8 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.6 | -43.2 | 174.8 | -73.3 | 175 | 0 | 0 | 0 | 110.9 | G430 I431 H507 L508 E514 G515 Y516 | G430-I511 WeakPolarHBondContact O-CD1 3.48Å; I431-I511 HydrophobicContact CD1-CD1 3.87Å; I431-I511 HydrophobicContact CD1-CG2 3.91Å; I431-I511 HydrophobicContact CG1-CG2 3.94Å; H507-I511 WeakPolarHBondContact O-CG1 3.3Å; H507-I511 PolarHBondContact O-N 2.99Å; L508-I511 HydrophobicContact CD2-CD1 4.48Å; I511-E514 PolarHBondContact O-N 3.26Å; I511-G515 PolarHBondContact O-N 2.65Å; I511-Y516 WeakPolarHBondContact O-CB 3.37Å; I511-Y516 VanDerWaalsContact O-N 3.16Å; I511-Y516 PolarHBondContact O-N 3.5Å; I511-Y516 HydrophobicContact CG2-CG 4.4Å; I511-Y516 HydrophobicContact CG2-CD2 4.42Å |
| 512 | K | 90.1 | Very high | 90.4 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 17% | 0.17 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72.1 | -34.5 | 179.9 | -168.2 | 52.7 | 173.3 | 177.8 | 0 | 112.8 | L477 V481 L508 I509 Q510 E514 G515 Y516 E517 L518 | L477-K512 HydrophobicContact CD1-CB 4.19Å; L477-K512 HydrophobicContact CD1-CG 4.22Å; L477-K512 HydrophobicContact CD2-CG 4.11Å; V481-K512 HydrophobicContact CG1-CD 4.47Å; V481-K512 HydrophobicContact CG1-CG 3.76Å; L508-K512 WeakPolarHBondContact O-CB 3.37Å; L508-K512 PolarHBondContact O-N 2.8Å; I509-K512 PolarHBondContact O-N 2.73Å; Q510-K512 PolarHBondContact O-N 3.39Å; K512-E514 VanDerWaalsContact C-N 3.31Å; K512-G515 PolarHBondContact O-N 2.83Å; K512-Y516 WeakPolarHBondContact CD-O 3.33Å; K512-Y516 PolarHBondContact NZ-O 2.92Å; K512-E517 PolarHBondContact NZ-OE2 3.07Å; K512-E517 IonicContact NZ-OE2 3.31Å; K512-E517 PolarHBondContact NZ-OE1 2.99Å; K512-E517 IonicContact NZ-OE1 3.92Å; K512-L518 HydrophobicContact CB-CD2 4.38Å; K512-L518 HydrophobicContact CB-CG 4.45Å; K512-L518 HydrophobicContact CD-CG 4.26Å; K512-L518 HydrophobicContact CG-CD1 4.46Å |
| 513 | L | 88.6 | Confident | 90 | Very high | 105 Ų | 105 | 50.1 Ų | 50.1 | 55% | 0.55 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.1 | -30.6 | 174 | -71.7 | 172.6 | 0 | 0 | 0 | 112.4 | L477 I509 Q510 G515 | L477-L513 HydrophobicContact CD2-CD2 3.99Å; L477-L513 HydrophobicContact CG-CD2 4.25Å; I509-L513 HydrophobicContact CG2-CD1 3.79Å; I509-L513 HydrophobicContact CG2-CG 4.29Å; I509-L513 WeakPolarHBondContact O-CG 3.49Å; I509-L513 PolarHBondContact O-N 3.26Å; Q510-L513 PolarHBondContact O-N 2.9Å; Q510-L513 VanDerWaalsContact O-N 3.08Å; L513-G515 PolarHBondContact O-N 3.39Å |
| 514 | E | 84.3 | Confident | 89.6 | Confident | 107 Ų | 107 | 56.9 Ų | 56.9 | 50% | 0.5 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -3.9 | 173.5 | -70.5 | 172.8 | -171.1 | 0 | 0 | 113.2 | Q510 I511 K512 Y516 | Q510-E514 HydrophobicContact CG-CG 4.49Å; Q510-E514 PolarHBondContact O-N 3.14Å; Q510-E514 WeakPolarHBondContact O-CG 3.34Å; Q510-E514 PolarHBondContact NE2-OE1 2.98Å; Q510-E514 WeakPolarHBondContact CG-OE1 3.36Å; I511-E514 PolarHBondContact O-N 3.26Å; K512-E514 VanDerWaalsContact C-N 3.31Å; E514-Y516 HydrophobicContact CB-CD2 3.81Å; E514-Y516 HydrophobicContact CB-CE2 3.84Å |
| 515 | G | 78.7 | Confident | 89.2 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 64% | 0.639 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.8 | 7.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115 | I511 K512 L513 | I511-G515 PolarHBondContact O-N 2.65Å; K512-G515 PolarHBondContact O-N 2.83Å; L513-G515 PolarHBondContact O-N 3.39Å |
| 516 | Y | 84.4 | Confident | 88.9 | Confident | 64 Ų | 64 | 58.9 Ų | 58.9 | 25% | 0.251 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -82 | 155.3 | 176.3 | -61.2 | -79.4 | 0 | 0 | 0 | 112.2 | E429 I511 K512 E514 | E429-Y516 HydrophobicContact CB-CE1 4.32Å; E429-Y516 PolarHBondContact OE2-OH 2.97Å; I511-Y516 WeakPolarHBondContact O-CB 3.37Å; I511-Y516 VanDerWaalsContact O-N 3.16Å; I511-Y516 PolarHBondContact O-N 3.5Å; I511-Y516 HydrophobicContact CG2-CG 4.4Å; I511-Y516 HydrophobicContact CG2-CD2 4.42Å; K512-Y516 WeakPolarHBondContact CD-O 3.33Å; K512-Y516 PolarHBondContact NZ-O 2.92Å; E514-Y516 HydrophobicContact CB-CD2 3.81Å; E514-Y516 HydrophobicContact CB-CE2 3.84Å |
| 517 | E | 84.7 | Confident | 88.8 | Confident | 143 Ų | 143 | 58.9 Ų | 58.9 | 67% | 0.668 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -84.5 | 144.7 | 174.8 | -75.6 | -57.7 | 149.7 | 0 | 0 | 112.1 | I431 K512 | I431-E517 WeakPolarHBondContact CG1-O 3.47Å; K512-E517 PolarHBondContact NZ-OE2 3.07Å; K512-E517 IonicContact NZ-OE2 3.31Å; K512-E517 PolarHBondContact NZ-OE1 2.99Å; K512-E517 IonicContact NZ-OE1 3.92Å |
| 518 | L | 88.3 | Confident | 88.7 | Confident | 11 Ų | 11 | 58 Ų | 58 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 140.2 | 176.9 | -65 | 171.5 | 0 | 0 | 0 | 110 | I431 V481 K484 I485 L488 L508 K512 | I431-L518 HydrophobicContact CD1-CD2 4.39Å; V481-L518 HydrophobicContact CG1-CD1 3.94Å; K484-L518 HydrophobicContact CD-CB 4.22Å; K484-L518 HydrophobicContact CG-CD1 4.49Å; K484-L518 PolarHBondContact NZ-O 3.3Å; I485-L518 HydrophobicContact CD1-CD1 3.96Å; I485-L518 HydrophobicContact CG1-CD1 3.4Å; I485-L518 VanDerWaalsContact CG1-CD1 3.4Å; I485-L518 HydrophobicContact CG1-CD2 4.31Å; L488-L518 HydrophobicContact CD1-CB 4.46Å; L508-L518 HydrophobicContact CB-CD2 4.21Å; L508-L518 HydrophobicContact CD2-CD2 4.18Å; K512-L518 HydrophobicContact CB-CD2 4.38Å; K512-L518 HydrophobicContact CB-CG 4.45Å; K512-L518 HydrophobicContact CD-CG 4.26Å; K512-L518 HydrophobicContact CG-CD1 4.46Å |
| 519 | P | 86.9 | Confident | 88.5 | Confident | 27 Ų | 27 | 60.8 Ų | 60.8 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 162.6 | -178.5 | 36.5 | -35.6 | 0 | 0 | 0 | 109.4 | I431 K484 L488 E521 | I431-P519 VanDerWaalsContact CD1-CD 3.41Å; I431-P519 HydrophobicContact CD1-CG 4.05Å; I431-P519 HydrophobicContact CG1-CG 4.39Å; I431-P519 HydrophobicContact CG2-CB 4.19Å; I431-P519 HydrophobicContact CG2-CG 3.96Å; K484-P519 WeakPolarHBondContact CE-O 3.3Å; K484-P519 PolarHBondContact NZ-O 2.93Å; K484-P519 VanDerWaalsContact NZ-O 3.16Å; L488-P519 HydrophobicContact CD1-CG 4.3Å; P519-E521 WeakPolarHBondContact CG-O 3.43Å; P519-E521 WeakPolarHBondContact CB-O 3.49Å; P519-E521 VanDerWaalsContact C-N 3.34Å; P519-E521 VanDerWaalsContact CB-O 3.23Å |
| 520 | N | 83.9 | Confident | 88.1 | Confident | 144 Ų | 144 | 64.2 Ų | 64.2 | 77% | 0.77 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -79.2 | -24.8 | 175 | -67.6 | -30.4 | 0 | 0 | 0 | 112.1 | K484 | K484-N520 PolarHBondContact NZ-OD1 3.4Å; K484-N520 VanDerWaalsContact NZ-OD1 3.09Å |
| 521 | E | 87.6 | Confident | 87.7 | Confident | 165 Ų | 165 | 62.9 Ų | 62.9 | 77% | 0.771 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -134.3 | 146.6 | 176.9 | -64.7 | -178.7 | 177.6 | 0 | 0 | 108.6 | P519 P523 | P519-E521 WeakPolarHBondContact CG-O 3.43Å; P519-E521 WeakPolarHBondContact CB-O 3.49Å; P519-E521 VanDerWaalsContact C-N 3.34Å; P519-E521 VanDerWaalsContact CB-O 3.23Å; E521-P523 WeakPolarHBondContact O-CD 3.4Å |
| 522 | L | 89.8 | Confident | 87.6 | Confident | 32 Ų | 32 | 67.4 Ų | 67.4 | 17% | 0.168 | 36% | 0.363 | C | S | . | . | trans | -72.6 | 122.6 | -178.1 | -171.6 | 71.3 | 0 | 0 | 0 | 109.9 | L488 L504 L508 L526 V527 | L488-L522 HydrophobicContact CD2-CB 4.17Å; L504-L522 HydrophobicContact CD1-CD1 4.16Å; L504-L522 HydrophobicContact CD2-CD1 4.13Å; L504-L522 HydrophobicContact CD2-CD2 3.53Å; L504-L522 HydrophobicContact CD2-CG 4.5Å; L508-L522 HydrophobicContact CD1-CD1 4.46Å; L522-L526 HydrophobicContact CD1-CB 3.87Å; L522-L526 HydrophobicContact CD1-CD1 4.34Å; L522-L526 HydrophobicContact CG-CB 4.21Å; L522-V527 HydrophobicContact CD2-CB 4.5Å; L522-V527 HydrophobicContact CD2-CG2 3.96Å; L522-V527 HydrophobicContact CG-CG2 4.41Å | ||
| 523 | P | 89.1 | Confident | 86.6 | Confident | 35 Ų | 35 | 75.1 Ų | 75.1 | 23% | 0.227 | 40% | 0.397 | C | S | . | . | trans | -62.9 | 145.9 | 175 | -23.5 | 34.6 | 0 | 0 | 0 | 112.4 | I431 E521 H525 L526 V527 | I431-P523 HydrophobicContact CG2-CG 3.63Å; E521-P523 WeakPolarHBondContact O-CD 3.4Å; P523-H525 WeakPolarHBondContact CB-ND1 3.07Å; P523-H525 VanDerWaalsContact O-N 3.15Å; P523-H525 PolarHBondContact O-N 2.63Å; P523-H525 WeakPolarHBondContact CB-CE1 3.04Å; P523-H525 VanDerWaalsContact C-N 3.26Å; P523-L526 PolarHBondContact O-N 3.08Å; P523-V527 PolarHBondContact O-N 3.18Å | ||
| 524 | N | 87.5 | Confident | 84.8 | Confident | 142 Ų | 142 | 75.2 Ų | 75.2 | 76% | 0.759 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -55.1 | -36.2 | -176.4 | -71.8 | -22.9 | 0 | 0 | 0 | 114 | L526 V527 | N524-L526 VanDerWaalsContact C-N 3.26Å; N524-L526 PolarHBondContact O-N 3.04Å; N524-V527 WeakPolarHBondContact O-CB 3.29Å; N524-V527 PolarHBondContact O-N 3.15Å |
| 525 | H | 86.9 | Confident | 83 | Confident | 41 Ų | 41 | 75.5 Ų | 75.5 | 19% | 0.19 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -71 | -21 | 180 | 68.6 | -77.4 | 0 | 0 | 0 | 113.1 | I431 P523 | I431-H525 PolarHBondContact O-CE1 3.35Å; I431-H525 VanDerWaalsContact O-CE1 3.26Å; I431-H525 PolarHBondContact O-NE2 3.35Å; P523-H525 WeakPolarHBondContact CB-ND1 3.07Å; P523-H525 VanDerWaalsContact O-N 3.15Å; P523-H525 PolarHBondContact O-N 2.63Å; P523-H525 WeakPolarHBondContact CB-CE1 3.04Å; P523-H525 VanDerWaalsContact C-N 3.26Å |
| 526 | L | 92.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -91.2 | -10.9 | 173.9 | -66.6 | -174.8 | 0 | 0 | 0 | 113.3 | I431 W440 I441 L504 L508 L522 P523 N524 | I431-L526 HydrophobicContact CD1-CD1 4.19Å; I431-L526 HydrophobicContact CG2-CD1 4.27Å; I431-L526 WeakPolarHBondContact O-CD1 3.37Å; W440-L526 PolarHBondContact NE1-O 3.39Å; I441-L526 HydrophobicContact CG2-CD2 3.53Å; L504-L526 HydrophobicContact CD1-CB 4.34Å; L508-L526 HydrophobicContact CD2-CD1 4.43Å; L522-L526 HydrophobicContact CD1-CB 3.87Å; L522-L526 HydrophobicContact CD1-CD1 4.34Å; L522-L526 HydrophobicContact CG-CB 4.21Å; P523-L526 PolarHBondContact O-N 3.08Å; N524-L526 VanDerWaalsContact C-N 3.26Å; N524-L526 PolarHBondContact O-N 3.04Å |
| 527 | V | 92.7 | Very high | 79.5 | Confident | 24 Ų | 24 | 76.4 Ų | 76.4 | 15% | 0.145 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -63 | 126.1 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 109 | L522 P523 N524 H531 R532 | L522-V527 HydrophobicContact CD2-CB 4.5Å; L522-V527 HydrophobicContact CD2-CG2 3.96Å; L522-V527 HydrophobicContact CG-CG2 4.41Å; P523-V527 PolarHBondContact O-N 3.18Å; N524-V527 WeakPolarHBondContact O-CB 3.29Å; N524-V527 PolarHBondContact O-N 3.15Å; V527-H531 HydrophobicContact CG1-CB 4.14Å; V527-R532 HydrophobicContact CB-CG 4.13Å; V527-R532 PolarHBondContact O-NH2 3.46Å; V527-R532 HydrophobicContact CG1-CG 3.85Å; V527-R532 PolarHBondContact O-NE 2.87Å |
| 528 | P | 93.4 | Very high | 77.3 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 42% | 0.415 | C | S | . | . | trans | -52.9 | 138.5 | 177.2 | -28.7 | 37.1 | 0 | 0 | 0 | 111.7 | W440 E500 L504 A530 H531 R532 | W440-P528 HydrophobicContact CH2-CB 4.28Å; W440-P528 HydrophobicContact CH2-CG 4.31Å; W440-P528 HydrophobicContact CZ2-CB 4.13Å; W440-P528 HydrophobicContact CZ2-CG 3.91Å; E500-P528 HydrophobicContact CB-CB 3.73Å; E500-P528 HydrophobicContact CB-CG 4.29Å; E500-P528 VanDerWaalsContact OE2-CB 3.29Å; E500-P528 WeakPolarHBondContact OE2-CB 3.23Å; L504-P528 HydrophobicContact CB-CG 4.5Å; L504-P528 HydrophobicContact CD2-CG 4.06Å; P528-A530 VanDerWaalsContact C-N 3.25Å; P528-A530 PolarHBondContact O-N 3.31Å; P528-H531 HydrophobicContact CB-CB 4.16Å; P528-H531 CarbonylContact O-C 3.53Å; P528-H531 WeakPolarHBondContact O-CA 3.49Å; P528-H531 PolarHBondContact O-N 3.25Å; P528-R532 PolarHBondContact O-N 3.11Å | ||
| 529 | P | 90.4 | Very high | 75 | Confident | 57 Ų | 57 | 78.6 Ų | 78.6 | 37% | 0.37 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -52 | -40.1 | -177.4 | -28.8 | 36 | 0 | 0 | 0 | 114.2 | W440 H531 R532 | W440-P529 HydrophobicContact CB-CG 3.89Å; W440-P529 HydrophobicContact CD2-CG 4.33Å; W440-P529 HydrophobicContact CE3-CG 4.25Å; W440-P529 HydrophobicContact CG-CG 4.22Å; P529-H531 PolarHBondContact O-N 3.13Å; P529-R532 PolarHBondContact O-N 3.25Å |
| 530 | A | 87.4 | Confident | 72.7 | Confident | 80 Ų | 80 | 84.2 Ų | 84.2 | 66% | 0.661 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -68.7 | -19.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | E500 P528 | E500-A530 WeakPolarHBondContact OE2-CB 3.5Å; E500-A530 PolarHBondContact OE2-N 3.48Å; P528-A530 VanDerWaalsContact C-N 3.25Å; P528-A530 PolarHBondContact O-N 3.31Å |
| 531 | H | 85.9 | Confident | 70.7 | Confident | 40 Ų | 40 | 86.9 Ų | 86.9 | 19% | 0.185 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -103.4 | 0.1 | -175.9 | -69.9 | -94.4 | 0 | 0 | 0 | 113.5 | C491 D492 D498 E501 V527 P528 P529 K533 | C491-H531 HydrophobicContact CB-CB 4.1Å; D492-H531 IonicContact OD2-CE1 3.3Å; D498-H531 IonicContact OD1-NE2 3.16Å; D498-H531 IonicContact OD2-CD2 2.99Å; D498-H531 IonicContact OD2-CE1 3.43Å; D498-H531 IonicContact OD2-NE2 2.62Å; D498-H531 PolarHBondContact OD2-NE2 3.43Å; E501-H531 IonicContact OE1-CE1 3.74Å; E501-H531 PolarHBondContact OE1-CE1 2.99Å; E501-H531 VanDerWaalsContact OE1-CE1 3.31Å; E501-H531 IonicContact OE1-ND1 2.86Å; E501-H531 IonicContact OE1-NE2 2.59Å; V527-H531 HydrophobicContact CG1-CB 4.14Å; P528-H531 HydrophobicContact CB-CB 4.16Å; P528-H531 CarbonylContact O-C 3.53Å; P528-H531 WeakPolarHBondContact O-CA 3.49Å; P528-H531 PolarHBondContact O-N 3.25Å; P529-H531 PolarHBondContact O-N 3.13Å; H531-K533 PolarHBondContact O-N 3.41Å |
| 532 | R | 87.5 | Confident | 68.5 | Low | 98 Ų | 98 | 85.8 Ų | 85.8 | 37% | 0.37 | 47% | 0.467 | S | S | . | . | trans | -71.3 | 118.8 | 175.6 | -69 | 174.9 | -173.2 | -179.1 | -3.2 | 109.6 | V527 P528 P529 N534 | V527-R532 HydrophobicContact CB-CG 4.13Å; V527-R532 PolarHBondContact O-NH2 3.46Å; V527-R532 HydrophobicContact CG1-CG 3.85Å; V527-R532 PolarHBondContact O-NE 2.87Å; P528-R532 PolarHBondContact O-N 3.11Å; P529-R532 PolarHBondContact O-N 3.25Å; R532-N534 PolarHBondContact O-N 3.13Å | ||
| 533 | K | 67.8 | Low | 66.4 | Low | 200 Ų | 200 | 92.3 Ų | 92.3 | 87% | 0.87 | 50% | 0.497 | S | S | * | . | trans | -63.3 | 108.5 | 171.4 | -65.3 | -177 | -178.4 | 179.9 | 0 | 109.1 | H531 P535 | H531-K533 PolarHBondContact O-N 3.41Å; K533-P535 WeakPolarHBondContact O-CD 3.27Å | ||
| 534 | N | 51.8 | Low | 64.2 | Low | 108 Ų | 108 | 96.7 Ų | 96.7 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | trans | -69.8 | 115.4 | 174.8 | -89.3 | -24.6 | 0 | 0 | 0 | 110.4 | R532 T536 A537 | R532-N534 PolarHBondContact O-N 3.13Å; N534-T536 PolarHBondContact O-N 3.19Å; N534-A537 HydrophobicContact CB-CB 4.28Å | ||
| 535 | P | 46.9 | Very low | 61.8 | Low | 112 Ų | 112 | 99.3 Ų | 99.3 | 73% | 0.727 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -14.6 | 172.6 | -13.9 | 29.9 | 0 | 0 | 0 | 112.6 | K533 | K533-P535 WeakPolarHBondContact O-CD 3.27Š|
| 536 | T | 46.3 | Very low | 59.5 | Low | 98 Ų | 98 | 109.1 Ų | 109.1 | 60% | 0.601 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -9.7 | -171.7 | 45.8 | 0 | 0 | 0 | 0 | 114.7 | N534 | N534-T536 PolarHBondContact O-N 3.19Š|
| 537 | A | 41.7 | Very low | 57.8 | Low | 48 Ų | 48 | 114.6 Ų | 114.6 | 40% | 0.397 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | -35.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N534 A539 L540 | N534-A537 HydrophobicContact CB-CB 4.28Å; A537-A539 VanDerWaalsContact C-N 3.31Å; A537-A539 PolarHBondContact O-N 3.32Å; A537-L540 PolarHBondContact O-N 3.35Å |
| 538 | D | 39.1 | Very low | 56 | Low | 131 Ų | 131 | 119.3 Ų | 119.3 | 70% | 0.701 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -17.4 | -179.6 | -76.5 | -19.8 | 0 | 0 | 0 | 113.7 | ||
| 539 | A | 40.6 | Very low | 53.9 | Low | 68 Ų | 68 | 125.9 Ų | 125.9 | 56% | 0.562 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -17.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A537 | A537-A539 VanDerWaalsContact C-N 3.31Å; A537-A539 PolarHBondContact O-N 3.32Å |
| 540 | L | 39 | Very low | 51.8 | Low | 146 Ų | 146 | 130 Ų | 130 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -95 | -10.3 | -177.1 | -83.3 | 159.4 | 0 | 0 | 0 | 113.9 | A537 | A537-L540 PolarHBondContact O-N 3.35Š|
| 541 | Y | 40.6 | Very low | 49.5 | Very low | 200 Ų | 200 | 133.1 Ų | 133.1 | 78% | 0.784 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -103.1 | -7.1 | 178.8 | -87 | -82.2 | 0 | 0 | 0 | 115 | ||
| 542 | N | 42.1 | Very low | 47.1 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -101 | 16.1 | 179.1 | -82.8 | -22.5 | 0 | 0 | 0 | 114.6 | ||
| 543 | H | 45.6 | Very low | 44.2 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 79% | 0.787 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -132 | 58.3 | 173.9 | -85.3 | -53.9 | 0 | 0 | 0 | 112.4 | ||
| 544 | T | 42.4 | Very low | 42.4 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -157.1 | 94 | 151.6 | 42 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 545 | E | 37 | Very low | 41.6 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | trans | -176.5 | 89.1 | 143.5 | -101 | 175.6 | -161.9 | 0 | 0 | 106.9 | ||||
| 546 | D | 38.4 | Very low | 41.2 | Very low | 246 Ų | 246 | 142.9 Ų | 142.9 | 100% | 1.316 | 76% | 0.76 | S | S | * | * | trans | -92.7 | 0 | 147.2 | -93.5 | -25.8 | 0 | 0 | 0 | 107.6 |
Retrieved 546 of 546 residues in 236.5 ms
(Link to these results)