| 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 | 38.1 | Very low | 52.3 | Low | 245 Ų | 245 | 137.7 Ų | 137.7 | 100% | 1.207 | 72% | 0.724 | S | S | * | * | 0 | 156.9 | 0 | -65.8 | 174.4 | 84.2 | 0 | 0 | 109.1 | S3 | M1-S3 PolarHBondContact O-N 3.34Š| |||
| 2 | R | 38.9 | Very low | 54.7 | Low | 250 Ų | 250 | 140.2 Ų | 140.2 | 94% | 0.943 | 73% | 0.725 | S | S | * | * | trans | -72.7 | 107.9 | -165.8 | -65.5 | 176 | 177.4 | 177.1 | -2.6 | 112.6 | R4 | R2-R4 PolarHBondContact O-N 2.68Š| ||
| 3 | S | 44.6 | Very low | 57 | Low | 116 Ų | 116 | 135.7 Ų | 135.7 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | trans | -76.9 | 117.6 | 164.6 | -165.5 | 0 | 0 | 0 | 0 | 109.1 | M1 S5 | M1-S3 PolarHBondContact O-N 3.34Å; S3-S5 PolarHBondContact O-N 2.79Å | ||
| 4 | R | 46.9 | Very low | 59.2 | Low | 218 Ų | 218 | 126.1 Ų | 126.1 | 82% | 0.823 | 65% | 0.649 | S | S | * | * | trans | -87.4 | 98.9 | 176.2 | -80.3 | -178.6 | 165 | -179.8 | -5.4 | 109.3 | R2 K6 | R2-R4 PolarHBondContact O-N 2.68Å; R4-K6 PolarHBondContact O-N 3.37Å | ||
| 5 | S | 50.1 | Low | 61.2 | Low | 117 Ų | 117 | 120.6 Ų | 120.6 | 82% | 0.818 | 62% | 0.62 | S | S | * | * | trans | -63.5 | 102 | 165.3 | -30.1 | 0 | 0 | 0 | 0 | 108.8 | S3 | S3-S5 PolarHBondContact O-N 2.79Š| ||
| 6 | K | 50.3 | Low | 63 | Low | 169 Ų | 169 | 120.2 Ų | 120.2 | 74% | 0.735 | 62% | 0.615 | S | S | * | * | trans | -97.4 | 127.6 | 173.8 | -59 | 176.7 | -176.2 | 177.6 | 0 | 108.6 | R4 | R4-K6 PolarHBondContact O-N 3.37Š| ||
| 7 | S | 57.7 | Low | 64.6 | Low | 51 Ų | 51 | 116.9 Ų | 116.9 | 36% | 0.357 | 60% | 0.599 | S | S | . | * | trans | 163 | -36.6 | 150.2 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | L9 V41 E42 | S7-L9 VanDerWaalsContact C-N 3.31Å; S7-L9 PolarHBondContact O-N 3.43Å; S7-V41 WeakPolarHBondContact O-CG2 3.38Å; S7-E42 VanDerWaalsContact CA-OE1 3.27Å; S7-E42 WeakPolarHBondContact CA-OE1 3.47Å; S7-E42 VanDerWaalsContact CB-CD 3.48Å; S7-E42 WeakPolarHBondContact CB-OE1 3.38Å; S7-E42 WeakPolarHBondContact CB-OE2 3.36Å | ||
| 8 | C | 53.3 | Low | 66.1 | Low | 114 Ų | 114 | 110.5 Ų | 110.5 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | trans | -79.9 | 68.6 | -172.8 | 59.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 9 | L | 60 | Low | 67.3 | Low | 80 Ų | 80 | 112.3 Ų | 112.3 | 42% | 0.419 | 57% | 0.57 | S | S | . | * | trans | -62.7 | 143.5 | 159.9 | -64.9 | 177.2 | 0 | 0 | 0 | 109.3 | S7 Q13 A14 V41 | S7-L9 VanDerWaalsContact C-N 3.31Å; S7-L9 PolarHBondContact O-N 3.43Å; L9-Q13 HydrophobicContact CD2-CG 4.48Å; L9-A14 HydrophobicContact CB-CB 4.21Å; L9-V41 HydrophobicContact CB-CG2 4.06Å; L9-V41 HydrophobicContact CD1-CG1 4.37Å; L9-V41 HydrophobicContact CD1-CG2 4.22Å; L9-V41 HydrophobicContact CG-CG2 4.31Å | ||
| 10 | S | 65.5 | Low | 68.4 | Low | 77 Ų | 77 | 110.5 Ų | 110.5 | 54% | 0.538 | 57% | 0.573 | S | S | . | * | trans | -61.5 | 141.1 | 171 | 64.1 | 0 | 0 | 0 | 0 | 109.1 | F12 Q13 A14 | S10-F12 PolarHBondContact O-N 3.03Å; S10-Q13 WeakPolarHBondContact O-CA 3.33Å; S10-Q13 WeakPolarHBondContact O-CB 3.34Å; S10-Q13 PolarHBondContact O-N 3.3Å; S10-Q13 VanDerWaalsContact OG-CB 3.32Å; S10-Q13 WeakPolarHBondContact OG-CB 3.11Å; S10-A14 PolarHBondContact O-N 3.05Å | ||
| 11 | S | 69.6 | Low | 69.3 | Low | 78 Ų | 78 | 109.5 Ų | 109.5 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -51.4 | -37.7 | -174.6 | 178.1 | 0 | 0 | 0 | 0 | 112.8 | A14 M15 | S11-A14 PolarHBondContact O-N 2.86Å; S11-M15 WeakPolarHBondContact O-CB 3.12Å; S11-M15 WeakPolarHBondContact O-CG 3.29Å; S11-M15 PolarHBondContact O-N 3.08Å |
| 12 | F | 81.3 | Confident | 71.7 | Confident | 167 Ų | 167 | 98.4 Ų | 98.4 | 73% | 0.732 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -42.2 | 174.2 | -171.8 | -94.9 | 0 | 0 | 0 | 113.5 | S10 M15 Q16 | S10-F12 PolarHBondContact O-N 3.03Å; F12-M15 PolarHBondContact O-N 2.87Å; F12-Q16 PolarHBondContact O-N 3.47Å; F12-Q16 VanDerWaalsContact O-N 3.08Å |
| 13 | Q | 84.8 | Confident | 74.1 | Confident | 82 Ų | 82 | 91.8 Ų | 91.8 | 38% | 0.383 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 176.9 | -171.7 | 60.9 | 75.8 | 0 | 0 | 111.7 | L9 S10 Q16 D17 | L9-Q13 HydrophobicContact CD2-CG 4.48Å; S10-Q13 WeakPolarHBondContact O-CA 3.33Å; S10-Q13 WeakPolarHBondContact O-CB 3.34Å; S10-Q13 PolarHBondContact O-N 3.3Å; S10-Q13 VanDerWaalsContact OG-CB 3.32Å; S10-Q13 WeakPolarHBondContact OG-CB 3.11Å; Q13-Q16 PolarHBondContact O-N 3.1Å; Q13-D17 WeakPolarHBondContact O-CB 3.3Å; Q13-D17 PolarHBondContact O-N 3.04Å |
| 14 | A | 88.2 | Confident | 76.2 | Confident | 1 Ų | 1 | 90.7 Ų | 90.7 | 1% | 0.008 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L9 S10 S11 Q16 D17 F18 L34 V41 | L9-A14 HydrophobicContact CB-CB 4.21Å; S10-A14 PolarHBondContact O-N 3.05Å; S11-A14 PolarHBondContact O-N 2.86Å; A14-Q16 VanDerWaalsContact C-N 3.29Å; A14-Q16 PolarHBondContact O-N 3.04Å; A14-D17 PolarHBondContact O-N 3.37Å; A14-F18 HydrophobicContact CB-CD2 4.27Å; A14-F18 HydrophobicContact CB-CE2 3.91Å; A14-F18 WeakPolarHBondContact O-CB 3.23Å; A14-F18 WeakPolarHBondContact O-CD2 3.36Å; A14-F18 VanDerWaalsContact O-CG 3.31Å; A14-F18 WeakPolarHBondContact O-CG 3.25Å; A14-F18 PolarHBondContact O-N 3.46Å; A14-L34 HydrophobicContact CB-CD1 4.27Å; A14-L34 HydrophobicContact CB-CD2 4.31Å; A14-V41 HydrophobicContact CB-CG2 4.25Å |
| 15 | M | 88.5 | Confident | 78.1 | Confident | 44 Ų | 44 | 81.8 Ų | 81.8 | 22% | 0.217 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -56.7 | -39.6 | 173.6 | -80.3 | -66.7 | -65.1 | 0 | 0 | 113.1 | S11 F12 K19 P27 I30 E31 L34 | S11-M15 WeakPolarHBondContact O-CB 3.12Å; S11-M15 WeakPolarHBondContact O-CG 3.29Å; S11-M15 PolarHBondContact O-N 3.08Å; F12-M15 PolarHBondContact O-N 2.87Å; M15-K19 VanDerWaalsContact O-CB 3.29Å; M15-K19 WeakPolarHBondContact O-CB 3.48Å; M15-K19 PolarHBondContact O-N 2.95Å; M15-K19 VanDerWaalsContact O-N 3.14Å; M15-P27 HydrophobicContact CE-CB 4.07Å; M15-I30 HydrophobicContact SD-CB 4.28Å; M15-I30 HydrophobicContact SD-CG2 3.64Å; M15-E31 HydrophobicContact CE-CB 4.17Å; M15-E31 HydrophobicContact SD-CB 3.96Å; M15-L34 HydrophobicContact CG-CD1 3.78Å; M15-L34 HydrophobicContact SD-CD1 3.7Å |
| 16 | Q | 89.7 | Confident | 80.1 | Confident | 114 Ų | 114 | 78.5 Ų | 78.5 | 53% | 0.533 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 176.8 | -170.7 | -178.3 | 29.7 | 0 | 0 | 112.1 | F12 Q13 A14 K19 A20 | F12-Q16 PolarHBondContact O-N 3.47Å; F12-Q16 VanDerWaalsContact O-N 3.08Å; Q13-Q16 PolarHBondContact O-N 3.1Å; A14-Q16 VanDerWaalsContact C-N 3.29Å; A14-Q16 PolarHBondContact O-N 3.04Å; Q16-K19 PolarHBondContact O-N 3.48Å; Q16-A20 PolarHBondContact O-N 3.22Å |
| 17 | D | 90.9 | Very high | 82 | Confident | 65 Ų | 65 | 73.9 Ų | 73.9 | 35% | 0.348 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.6 | -47.1 | -179.6 | -168.1 | 43.8 | 0 | 0 | 0 | 111.5 | Q13 A14 K19 A20 M21 | Q13-D17 WeakPolarHBondContact O-CB 3.3Å; Q13-D17 PolarHBondContact O-N 3.04Å; A14-D17 PolarHBondContact O-N 3.37Å; D17-K19 VanDerWaalsContact C-N 3.29Å; D17-K19 PolarHBondContact O-N 3.39Å; D17-A20 WeakPolarHBondContact O-CB 3.48Å; D17-A20 PolarHBondContact O-N 3.1Å; D17-M21 PolarHBondContact O-N 3.26Å; D17-M21 VanDerWaalsContact OD2-CE 3.31Å; D17-M21 WeakPolarHBondContact OD2-CE 3.29Å |
| 18 | F | 91.5 | Very high | 83.7 | Confident | 1 Ų | 1 | 78.8 Ų | 78.8 | 0% | 0.004 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61 | -35.5 | 174.1 | -66.7 | -45.9 | 0 | 0 | 0 | 113.2 | A14 A20 M21 F22 I30 L34 V41 T44 I45 L48 | A14-F18 HydrophobicContact CB-CD2 4.27Å; A14-F18 HydrophobicContact CB-CE2 3.91Å; A14-F18 WeakPolarHBondContact O-CB 3.23Å; A14-F18 WeakPolarHBondContact O-CD2 3.36Å; A14-F18 VanDerWaalsContact O-CG 3.31Å; A14-F18 WeakPolarHBondContact O-CG 3.25Å; A14-F18 PolarHBondContact O-N 3.46Å; F18-A20 VanDerWaalsContact C-N 3.27Å; F18-A20 PolarHBondContact O-N 3.01Å; F18-M21 HydrophobicContact CD1-CE 3.65Å; F18-M21 HydrophobicContact CE1-CE 3.98Å; F18-M21 PolarHBondContact O-N 3.38Å; F18-F22 HydrophobicContact CB-CD2 4.4Å; F18-F22 HydrophobicContact CD1-CD2 4.2Å; F18-F22 AromaticContact CD1-CE2 3.98Å; F18-F22 HydrophobicContact CD1-CE2 3.98Å; F18-F22 WeakPolarHBondContact O-CA 3.4Å; F18-F22 WeakPolarHBondContact O-CB 3.49Å; F18-F22 PolarHBondContact O-N 3.26Å; F18-I30 HydrophobicContact CB-CD1 4.04Å; F18-I30 HydrophobicContact CB-CG1 4.33Å; F18-I30 HydrophobicContact CB-CG2 3.43Å; F18-I30 VanDerWaalsContact CB-CG2 3.43Å; F18-I30 HydrophobicContact CD2-CG2 3.63Å; F18-I30 HydrophobicContact CG-CG2 3.85Å; F18-L34 HydrophobicContact CD2-CD1 3.97Å; F18-L34 HydrophobicContact CD2-CG 4.29Å; F18-L34 HydrophobicContact CE2-CD1 3.95Å; F18-L34 HydrophobicContact CE2-CD2 3.96Å; F18-L34 HydrophobicContact CE2-CG 3.87Å; F18-V41 HydrophobicContact CE1-CG1 4.37Å; F18-V41 HydrophobicContact CZ-CB 4.46Å; F18-V41 HydrophobicContact CZ-CG1 3.87Å; F18-T44 HydrophobicContact CD2-CG2 4.21Å; F18-T44 HydrophobicContact CE1-CG2 4.06Å; F18-T44 HydrophobicContact CE2-CG2 3.5Å; F18-T44 HydrophobicContact CZ-CG2 3.42Å; F18-T44 VanDerWaalsContact CZ-CG2 3.42Å; F18-I45 HydrophobicContact CE1-CG1 3.76Å; F18-I45 HydrophobicContact CZ-CG1 4.42Å; F18-L48 HydrophobicContact CB-CD1 4.13Å; F18-L48 HydrophobicContact CD1-CD1 3.53Å; F18-L48 HydrophobicContact CD2-CD1 4.26Å; F18-L48 HydrophobicContact CE1-CD1 3.95Å; F18-L48 HydrophobicContact CG-CD1 3.73Å; F18-L48 HydrophobicContact CZ-CD1 4.47Å |
| 19 | K | 89.5 | Confident | 85.5 | Confident | 145 Ų | 145 | 75.8 Ų | 75.8 | 63% | 0.63 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.6 | -29.4 | 174.7 | -174.7 | 176.6 | 179.2 | -179.3 | 0 | 112.5 | M15 Q16 D17 | M15-K19 VanDerWaalsContact O-CB 3.29Å; M15-K19 WeakPolarHBondContact O-CB 3.48Å; M15-K19 PolarHBondContact O-N 2.95Å; M15-K19 VanDerWaalsContact O-N 3.14Å; Q16-K19 PolarHBondContact O-N 3.48Å; D17-K19 VanDerWaalsContact C-N 3.29Å; D17-K19 PolarHBondContact O-N 3.39Å |
| 20 | A | 89.1 | Confident | 87 | Confident | 76 Ų | 76 | 72 Ų | 72 | 63% | 0.628 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -79.3 | -40.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q16 D17 F18 | Q16-A20 PolarHBondContact O-N 3.22Å; D17-A20 WeakPolarHBondContact O-CB 3.48Å; D17-A20 PolarHBondContact O-N 3.1Å; F18-A20 VanDerWaalsContact C-N 3.27Å; F18-A20 PolarHBondContact O-N 3.01Å |
| 21 | M | 86.4 | Confident | 88.2 | Confident | 89 Ų | 89 | 71.9 Ų | 71.9 | 44% | 0.438 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -73.9 | -34.2 | 178.9 | -68.9 | -166.8 | -70.4 | 0 | 0 | 113.7 | D17 F18 P23 | D17-M21 PolarHBondContact O-N 3.26Å; D17-M21 VanDerWaalsContact OD2-CE 3.31Å; D17-M21 WeakPolarHBondContact OD2-CE 3.29Å; F18-M21 HydrophobicContact CD1-CE 3.65Å; F18-M21 HydrophobicContact CE1-CE 3.98Å; F18-M21 PolarHBondContact O-N 3.38Å; M21-P23 VanDerWaalsContact C-CD 3.42Å; M21-P23 WeakPolarHBondContact O-CD 3.48Å |
| 22 | F | 89.1 | Confident | 89.1 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 5% | 0.053 | 39% | 0.389 | C | S | . | . | trans | -124.3 | 63.1 | -174.7 | -55.8 | -77.4 | 0 | 0 | 0 | 112.3 | F18 S24 L25 L48 L49 C52 | F18-F22 HydrophobicContact CB-CD2 4.4Å; F18-F22 HydrophobicContact CD1-CD2 4.2Å; F18-F22 AromaticContact CD1-CE2 3.98Å; F18-F22 HydrophobicContact CD1-CE2 3.98Å; F18-F22 WeakPolarHBondContact O-CA 3.4Å; F18-F22 WeakPolarHBondContact O-CB 3.49Å; F18-F22 PolarHBondContact O-N 3.26Å; F22-S24 PolarHBondContact O-N 2.84Å; F22-L25 HydrophobicContact CB-CB 4.05Å; F22-L25 HydrophobicContact CB-CD1 3.82Å; F22-L25 HydrophobicContact CB-CG 4.03Å; F22-L25 HydrophobicContact CD1-CD1 4.05Å; F22-L25 HydrophobicContact CG-CD1 3.99Å; F22-L25 PolarHBondContact O-N 2.95Å; F22-L48 HydrophobicContact CD1-CB 4.34Å; F22-L48 HydrophobicContact CD2-CB 3.95Å; F22-L48 HydrophobicContact CD2-CD1 3.78Å; F22-L48 HydrophobicContact CD2-CG 4.46Å; F22-L48 HydrophobicContact CE1-CB 3.99Å; F22-L48 HydrophobicContact CE2-CB 3.57Å; F22-L48 HydrophobicContact CE2-CD1 3.75Å; F22-L48 HydrophobicContact CE2-CG 4.32Å; F22-L48 HydrophobicContact CG-CB 4.32Å; F22-L48 HydrophobicContact CZ-CB 3.59Å; F22-L49 HydrophobicContact CE1-CD2 4.04Å; F22-L49 HydrophobicContact CE1-CG 4.34Å; F22-L49 HydrophobicContact CZ-CD2 4.15Å; F22-L49 HydrophobicContact CZ-CG 4.15Å; F22-C52 HydrophobicContact CD1-CB 3.94Å; F22-C52 HydrophobicContact CE1-CB 4.17Å | ||
| 23 | P | 88.3 | Confident | 89.6 | Confident | 111 Ų | 111 | 63.6 Ų | 63.6 | 72% | 0.721 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -12 | -176.2 | 28 | -36.6 | 0 | 0 | 0 | 114.3 | M21 | M21-P23 VanDerWaalsContact C-CD 3.42Å; M21-P23 WeakPolarHBondContact O-CD 3.48Å |
| 24 | S | 88.7 | Confident | 89.8 | Confident | 93 Ų | 93 | 60 Ų | 60 | 65% | 0.65 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -14.4 | 174.6 | 54.7 | 0 | 0 | 0 | 0 | 114.3 | F22 | F22-S24 PolarHBondContact O-N 2.84Š|
| 25 | L | 88.7 | Confident | 89.9 | Confident | 32 Ų | 32 | 68.1 Ų | 68.1 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -92.6 | 142.2 | 177.8 | -65.4 | -178.9 | 0 | 0 | 0 | 110.1 | F22 I30 L48 L51 C52 | F22-L25 HydrophobicContact CB-CB 4.05Å; F22-L25 HydrophobicContact CB-CD1 3.82Å; F22-L25 HydrophobicContact CB-CG 4.03Å; F22-L25 HydrophobicContact CD1-CD1 4.05Å; F22-L25 HydrophobicContact CG-CD1 3.99Å; F22-L25 PolarHBondContact O-N 2.95Å; L25-I30 HydrophobicContact CB-CD1 4.41Å; L25-I30 HydrophobicContact CB-CG1 4.31Å; L25-L48 HydrophobicContact CD1-CB 4.09Å; L25-L48 HydrophobicContact CD1-CD2 3.6Å; L25-L48 HydrophobicContact CD1-CG 4.4Å; L25-L51 HydrophobicContact CD1-CB 4.28Å; L25-L51 HydrophobicContact CD2-CB 4.21Å; L25-C52 HydrophobicContact CD1-CB 4.47Å |
| 26 | S | 90.8 | Very high | 90 | Very high | 48 Ų | 48 | 72.2 Ų | 72.2 | 34% | 0.336 | 39% | 0.394 | S | S | . | . | trans | -73 | 148.5 | 179.1 | 82.4 | 0 | 0 | 0 | 0 | 110.6 | E28 T29 I30 | S26-E28 PolarHBondContact O-N 3.42Å; S26-T29 PolarHBondContact O-N 2.85Å; S26-T29 PolarHBondContact OG-N 3.07Å; S26-T29 VanDerWaalsContact OG-N 3.11Å; S26-T29 PolarHBondContact OG-OG1 3.26Å; S26-I30 WeakPolarHBondContact O-CG1 3.47Å; S26-I30 PolarHBondContact O-N 2.83Å | ||
| 27 | P | 91.4 | Very high | 89.9 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 47% | 0.468 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.6 | -29.8 | 175.8 | 25.4 | -34.3 | 0 | 0 | 0 | 112 | M15 I30 E31 | M15-P27 HydrophobicContact CE-CB 4.07Å; P27-I30 PolarHBondContact O-N 3.35Å; P27-E31 WeakPolarHBondContact O-CB 3.42Å; P27-E31 PolarHBondContact O-N 3.23Å |
| 28 | E | 91.5 | Very high | 89.6 | Confident | 154 Ų | 154 | 72 Ų | 72 | 72% | 0.72 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.7 | -39.2 | 173.9 | -62.5 | 175.8 | 179.5 | 0 | 0 | 112.3 | S26 A32 | S26-E28 PolarHBondContact O-N 3.42Å; E28-A32 VanDerWaalsContact O-CB 3.23Å; E28-A32 WeakPolarHBondContact O-CB 3.28Å; E28-A32 PolarHBondContact O-N 2.88Å |
| 29 | T | 92.1 | Very high | 89.1 | Confident | 50 Ų | 50 | 73.5 Ų | 73.5 | 31% | 0.307 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 173.9 | -57.1 | 0 | 0 | 0 | 0 | 111 | S26 A32 T33 L51 | S26-T29 PolarHBondContact O-N 2.85Å; S26-T29 PolarHBondContact OG-N 3.07Å; S26-T29 VanDerWaalsContact OG-N 3.11Å; S26-T29 PolarHBondContact OG-OG1 3.26Å; T29-A32 PolarHBondContact O-N 3.26Å; T29-T33 PolarHBondContact O-N 2.98Å; T29-T33 PolarHBondContact O-OG1 2.91Å; T29-T33 VanDerWaalsContact O-OG1 3.11Å; T29-L51 HydrophobicContact CG2-CD1 3.83Å |
| 30 | I | 90.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 177 | -64.7 | 166.4 | 0 | 0 | 0 | 110.6 | M15 F18 L25 S26 P27 T33 L34 L48 | M15-I30 HydrophobicContact SD-CB 4.28Å; M15-I30 HydrophobicContact SD-CG2 3.64Å; F18-I30 HydrophobicContact CB-CD1 4.04Å; F18-I30 HydrophobicContact CB-CG1 4.33Å; F18-I30 HydrophobicContact CB-CG2 3.43Å; F18-I30 VanDerWaalsContact CB-CG2 3.43Å; F18-I30 HydrophobicContact CD2-CG2 3.63Å; F18-I30 HydrophobicContact CG-CG2 3.85Å; L25-I30 HydrophobicContact CB-CD1 4.41Å; L25-I30 HydrophobicContact CB-CG1 4.31Å; S26-I30 WeakPolarHBondContact O-CG1 3.47Å; S26-I30 PolarHBondContact O-N 2.83Å; P27-I30 PolarHBondContact O-N 3.35Å; I30-T33 PolarHBondContact O-N 3.48Å; I30-L34 HydrophobicContact CG2-CD1 4.39Å; I30-L34 WeakPolarHBondContact O-CB 3.42Å; I30-L34 PolarHBondContact O-N 3.25Å; I30-L48 HydrophobicContact CG1-CD1 4.29Å; I30-L48 HydrophobicContact CG1-CD2 4.02Å; I30-L48 HydrophobicContact CG2-CD1 4.37Å |
| 31 | E | 90.7 | Very high | 88.9 | Confident | 75 Ų | 75 | 67.1 Ų | 67.1 | 35% | 0.35 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 177.9 | -168.3 | -178 | -173.9 | 0 | 0 | 111.7 | M15 P27 T33 L34 R35 | M15-E31 HydrophobicContact CE-CB 4.17Å; M15-E31 HydrophobicContact SD-CB 3.96Å; P27-E31 WeakPolarHBondContact O-CB 3.42Å; P27-E31 PolarHBondContact O-N 3.23Å; E31-T33 PolarHBondContact O-N 2.98Å; E31-L34 PolarHBondContact O-N 3.36Å; E31-R35 VanDerWaalsContact CD-NH2 3.29Å; E31-R35 HydrophobicContact CG-CG 4.28Å; E31-R35 WeakPolarHBondContact O-CB 3.39Å; E31-R35 VanDerWaalsContact O-CG 3.28Å; E31-R35 WeakPolarHBondContact O-CG 3.49Å; E31-R35 PolarHBondContact O-N 3.14Å; E31-R35 IonicContact OE1-CZ 2.91Å; E31-R35 IonicContact OE1-NE 2.69Å; E31-R35 PolarHBondContact OE1-NE 3.33Å; E31-R35 IonicContact OE1-NH2 3.19Å; E31-R35 PolarHBondContact OE1-NH2 2.86Å; E31-R35 IonicContact OE2-NH2 2.86Å |
| 32 | A | 89.6 | Confident | 89 | Confident | 57 Ų | 57 | 66.7 Ų | 66.7 | 47% | 0.471 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E28 T29 R35 L36 | E28-A32 VanDerWaalsContact O-CB 3.23Å; E28-A32 WeakPolarHBondContact O-CB 3.28Å; E28-A32 PolarHBondContact O-N 2.88Å; T29-A32 PolarHBondContact O-N 3.26Å; A32-R35 PolarHBondContact O-N 3.26Å; A32-L36 VanDerWaalsContact O-CB 3.27Å; A32-L36 WeakPolarHBondContact O-CB 3.39Å; A32-L36 PolarHBondContact O-N 3.01Å |
| 33 | T | 91.1 | Very high | 89 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 8% | 0.08 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 176.2 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | T29 I30 E31 L36 N37 T44 D47 | T29-T33 PolarHBondContact O-N 2.98Å; T29-T33 PolarHBondContact O-OG1 2.91Å; T29-T33 VanDerWaalsContact O-OG1 3.11Å; I30-T33 PolarHBondContact O-N 3.48Å; E31-T33 PolarHBondContact O-N 2.98Å; T33-L36 PolarHBondContact O-N 3.37Å; T33-N37 WeakPolarHBondContact O-CB 3.48Å; T33-N37 PolarHBondContact O-N 2.68Å; T33-N37 PolarHBondContact O-ND2 3.48Å; T33-N37 VanDerWaalsContact O-ND2 3.15Å; T33-T44 HydrophobicContact CG2-CG2 3.84Å; T33-D47 HydrophobicContact CG2-CB 3.49Å; T33-D47 VanDerWaalsContact CG2-CB 3.49Å |
| 34 | L | 90 | Very high | 89.1 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 173.1 | -97.4 | 169.6 | 0 | 0 | 0 | 112.1 | A14 M15 F18 I30 E31 N37 N38 G39 T44 | A14-L34 HydrophobicContact CB-CD1 4.27Å; A14-L34 HydrophobicContact CB-CD2 4.31Å; M15-L34 HydrophobicContact CG-CD1 3.78Å; M15-L34 HydrophobicContact SD-CD1 3.7Å; F18-L34 HydrophobicContact CD2-CD1 3.97Å; F18-L34 HydrophobicContact CD2-CG 4.29Å; F18-L34 HydrophobicContact CE2-CD1 3.95Å; F18-L34 HydrophobicContact CE2-CD2 3.96Å; F18-L34 HydrophobicContact CE2-CG 3.87Å; I30-L34 HydrophobicContact CG2-CD1 4.39Å; I30-L34 WeakPolarHBondContact O-CB 3.42Å; I30-L34 PolarHBondContact O-N 3.25Å; E31-L34 PolarHBondContact O-N 3.36Å; L34-N37 CarbonylContact O-C 3.57Å; L34-N37 PolarHBondContact O-N 3.29Å; L34-N38 PolarHBondContact O-N 2.89Å; L34-G39 PolarHBondContact O-N 3.39Å; L34-T44 HydrophobicContact CG-CG2 4.17Å |
| 35 | R | 88.6 | Confident | 89.2 | Confident | 173 Ų | 173 | 62.6 Ų | 62.6 | 65% | 0.653 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 176.7 | -71.8 | 175 | -178.7 | -168.2 | 4.7 | 111.2 | E31 A32 N37 N38 | E31-R35 VanDerWaalsContact CD-NH2 3.29Å; E31-R35 HydrophobicContact CG-CG 4.28Å; E31-R35 WeakPolarHBondContact O-CB 3.39Å; E31-R35 VanDerWaalsContact O-CG 3.28Å; E31-R35 WeakPolarHBondContact O-CG 3.49Å; E31-R35 PolarHBondContact O-N 3.14Å; E31-R35 IonicContact OE1-CZ 2.91Å; E31-R35 IonicContact OE1-NE 2.69Å; E31-R35 PolarHBondContact OE1-NE 3.33Å; E31-R35 IonicContact OE1-NH2 3.19Å; E31-R35 PolarHBondContact OE1-NH2 2.86Å; E31-R35 IonicContact OE2-NH2 2.86Å; A32-R35 PolarHBondContact O-N 3.26Å; R35-N37 VanDerWaalsContact C-N 3.33Å; R35-N37 PolarHBondContact O-N 3.43Å; R35-N38 PolarHBondContact O-N 2.98Å |
| 36 | L | 91.3 | Very high | 89.3 | Confident | 130 Ų | 130 | 66.4 Ų | 66.4 | 68% | 0.681 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 176.5 | -177.9 | 64.8 | 0 | 0 | 0 | 112.1 | A32 T33 N38 | A32-L36 VanDerWaalsContact O-CB 3.27Å; A32-L36 WeakPolarHBondContact O-CB 3.39Å; A32-L36 PolarHBondContact O-N 3.01Å; T33-L36 PolarHBondContact O-N 3.37Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 3.17Å |
| 37 | N | 87.1 | Confident | 89.3 | Confident | 22 Ų | 22 | 66.8 Ų | 66.8 | 12% | 0.118 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 15 | -179.9 | -76 | -63.1 | 0 | 0 | 0 | 114.3 | T33 L34 R35 G39 L40 N43 D47 | T33-N37 WeakPolarHBondContact O-CB 3.48Å; T33-N37 PolarHBondContact O-N 2.68Å; T33-N37 PolarHBondContact O-ND2 3.48Å; T33-N37 VanDerWaalsContact O-ND2 3.15Å; L34-N37 CarbonylContact O-C 3.57Å; L34-N37 PolarHBondContact O-N 3.29Å; R35-N37 VanDerWaalsContact C-N 3.33Å; R35-N37 PolarHBondContact O-N 3.43Å; N37-G39 PolarHBondContact O-N 3.49Å; N37-G39 VanDerWaalsContact O-N 3.13Å; N37-L40 VanDerWaalsContact O-CB 3.31Å; N37-L40 WeakPolarHBondContact O-CB 3.48Å; N37-L40 WeakPolarHBondContact O-CG 3.44Å; N37-L40 PolarHBondContact O-N 3Å; N37-N43 HydrophobicContact CB-CB 4.09Å; N37-N43 WeakPolarHBondContact OD1-CB 3.48Å; N37-N43 PolarHBondContact OD1-ND2 3.45Å; N37-D47 PolarHBondContact ND2-OD2 3.09Å |
| 38 | N | 84.7 | Confident | 89.3 | Confident | 151 Ų | 151 | 63.4 Ų | 63.4 | 81% | 0.807 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 31.8 | -179.4 | -60.1 | -56.8 | 0 | 0 | 0 | 114.2 | L34 R35 L36 L40 | L34-N38 PolarHBondContact O-N 2.89Å; R35-N38 PolarHBondContact O-N 2.98Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 3.17Å; N38-L40 VanDerWaalsContact C-N 3.34Å |
| 39 | G | 81.6 | Confident | 89.3 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 34% | 0.34 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | 6.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L34 N37 V41 | L34-G39 PolarHBondContact O-N 3.39Å; N37-G39 PolarHBondContact O-N 3.49Å; N37-G39 VanDerWaalsContact O-N 3.13Å; G39-V41 PolarHBondContact O-N 3.41Å |
| 40 | L | 85.7 | Confident | 89.1 | Confident | 80 Ų | 80 | 64.2 Ų | 64.2 | 42% | 0.419 | 34% | 0.339 | S | S | . | . | trans | -71 | 112.3 | 173.4 | -65.8 | 175.2 | 0 | 0 | 0 | 110.3 | N37 N38 T44 | N37-L40 VanDerWaalsContact O-CB 3.31Å; N37-L40 WeakPolarHBondContact O-CB 3.48Å; N37-L40 WeakPolarHBondContact O-CG 3.44Å; N37-L40 PolarHBondContact O-N 3Å; N38-L40 VanDerWaalsContact C-N 3.34Å; L40-T44 WeakPolarHBondContact O-CB 3.2Å; L40-T44 PolarHBondContact O-N 3.24Å; L40-T44 PolarHBondContact O-OG1 3.45Å | ||
| 41 | V | 88.4 | Confident | 88.7 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 5% | 0.048 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | -176.5 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | S7 L9 A14 F18 G39 T44 I45 | S7-V41 WeakPolarHBondContact O-CG2 3.38Å; L9-V41 HydrophobicContact CB-CG2 4.06Å; L9-V41 HydrophobicContact CD1-CG1 4.37Å; L9-V41 HydrophobicContact CD1-CG2 4.22Å; L9-V41 HydrophobicContact CG-CG2 4.31Å; A14-V41 HydrophobicContact CB-CG2 4.25Å; F18-V41 HydrophobicContact CE1-CG1 4.37Å; F18-V41 HydrophobicContact CZ-CB 4.46Å; F18-V41 HydrophobicContact CZ-CG1 3.87Å; G39-V41 PolarHBondContact O-N 3.41Å; V41-T44 CarbonylContact O-C 3.57Å; V41-T44 WeakPolarHBondContact O-CB 3.39Å; V41-T44 PolarHBondContact O-N 3.03Å; V41-I45 HydrophobicContact CG1-CD1 3.89Å; V41-I45 HydrophobicContact CG1-CG1 4.33Å; V41-I45 WeakPolarHBondContact O-CG1 3.21Å; V41-I45 PolarHBondContact O-N 2.8Å |
| 42 | E | 88.6 | Confident | 88.3 | Confident | 79 Ų | 79 | 67.6 Ų | 67.6 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.4 | -53.9 | -176.8 | -67.9 | 71.9 | -162.6 | 0 | 0 | 112.1 | S7 T44 I45 D46 | S7-E42 VanDerWaalsContact CA-OE1 3.27Å; S7-E42 WeakPolarHBondContact CA-OE1 3.47Å; S7-E42 VanDerWaalsContact CB-CD 3.48Å; S7-E42 WeakPolarHBondContact CB-OE1 3.38Å; S7-E42 WeakPolarHBondContact CB-OE2 3.36Å; E42-T44 PolarHBondContact O-N 2.93Å; E42-I45 WeakPolarHBondContact O-CB 3.36Å; E42-I45 PolarHBondContact O-N 2.88Å; E42-I45 VanDerWaalsContact O-N 3.11Å; E42-D46 PolarHBondContact O-N 2.77Å |
| 43 | N | 88.9 | Confident | 87.5 | Confident | 75 Ų | 75 | 67.4 Ų | 67.4 | 40% | 0.401 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 176.2 | -60.3 | 15.3 | 0 | 0 | 0 | 111.6 | N37 I45 D46 D47 | N37-N43 HydrophobicContact CB-CB 4.09Å; N37-N43 WeakPolarHBondContact OD1-CB 3.48Å; N37-N43 PolarHBondContact OD1-ND2 3.45Å; N43-I45 VanDerWaalsContact C-N 3.32Å; N43-I45 PolarHBondContact O-N 3.39Å; N43-D46 PolarHBondContact O-N 3.4Å; N43-D47 PolarHBondContact O-N 3.13Å; N43-D47 VanDerWaalsContact O-N 3.1Å |
| 44 | T | 90.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 177.7 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | F18 T33 L34 L40 V41 E42 L48 | F18-T44 HydrophobicContact CD2-CG2 4.21Å; F18-T44 HydrophobicContact CE1-CG2 4.06Å; F18-T44 HydrophobicContact CE2-CG2 3.5Å; F18-T44 HydrophobicContact CZ-CG2 3.42Å; F18-T44 VanDerWaalsContact CZ-CG2 3.42Å; T33-T44 HydrophobicContact CG2-CG2 3.84Å; L34-T44 HydrophobicContact CG-CG2 4.17Å; L40-T44 WeakPolarHBondContact O-CB 3.2Å; L40-T44 PolarHBondContact O-N 3.24Å; L40-T44 PolarHBondContact O-OG1 3.45Å; V41-T44 CarbonylContact O-C 3.57Å; V41-T44 WeakPolarHBondContact O-CB 3.39Å; V41-T44 PolarHBondContact O-N 3.03Å; E42-T44 PolarHBondContact O-N 2.93Å; T44-L48 HydrophobicContact CG2-CD1 3.67Å; T44-L48 HydrophobicContact CG2-CG 4.08Å; T44-L48 VanDerWaalsContact O-CB 3.31Å; T44-L48 WeakPolarHBondContact O-CB 3.37Å; T44-L48 WeakPolarHBondContact O-CG 3.47Å; T44-L48 PolarHBondContact O-N 3.3Å |
| 45 | I | 90.6 | Very high | 84 | Confident | 56 Ų | 56 | 78.8 Ų | 78.8 | 29% | 0.287 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.4 | -49.5 | 174.3 | -71 | 165.1 | 0 | 0 | 0 | 110.2 | F18 V41 E42 N43 D47 L48 L49 | F18-I45 HydrophobicContact CE1-CG1 3.76Å; F18-I45 HydrophobicContact CZ-CG1 4.42Å; V41-I45 HydrophobicContact CG1-CD1 3.89Å; V41-I45 HydrophobicContact CG1-CG1 4.33Å; V41-I45 WeakPolarHBondContact O-CG1 3.21Å; V41-I45 PolarHBondContact O-N 2.8Å; E42-I45 WeakPolarHBondContact O-CB 3.36Å; E42-I45 PolarHBondContact O-N 2.88Å; E42-I45 VanDerWaalsContact O-N 3.11Å; N43-I45 VanDerWaalsContact C-N 3.32Å; N43-I45 PolarHBondContact O-N 3.39Å; I45-D47 PolarHBondContact O-N 2.97Å; I45-L48 PolarHBondContact O-N 2.83Å; I45-L49 HydrophobicContact CG2-CD1 3.61Å; I45-L49 HydrophobicContact CG2-CG 4.12Å; I45-L49 WeakPolarHBondContact O-CB 3.46Å; I45-L49 VanDerWaalsContact O-CG 3.23Å; I45-L49 WeakPolarHBondContact O-CG 3.34Å; I45-L49 PolarHBondContact O-N 3.13Å |
| 46 | D | 91.7 | Very high | 82.2 | Confident | 111 Ų | 111 | 73.7 Ų | 73.7 | 59% | 0.594 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.8 | -44.2 | -178.4 | -69.7 | -26.1 | 0 | 0 | 0 | 111.7 | E42 N43 L50 | E42-D46 PolarHBondContact O-N 2.77Å; N43-D46 PolarHBondContact O-N 3.4Å; D46-L50 WeakPolarHBondContact O-CB 3.49Å; D46-L50 PolarHBondContact O-N 2.96Å |
| 47 | D | 91.1 | Very high | 80.1 | Confident | 57 Ų | 57 | 72.5 Ų | 72.5 | 31% | 0.305 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 176 | -76.8 | -27.2 | 0 | 0 | 0 | 112.5 | T33 N37 N43 I45 L50 L51 | T33-D47 HydrophobicContact CG2-CB 3.49Å; T33-D47 VanDerWaalsContact CG2-CB 3.49Å; N37-D47 PolarHBondContact ND2-OD2 3.09Å; N43-D47 PolarHBondContact O-N 3.13Å; N43-D47 VanDerWaalsContact O-N 3.1Å; I45-D47 PolarHBondContact O-N 2.97Å; D47-L50 PolarHBondContact O-N 2.94Å; D47-L51 WeakPolarHBondContact O-CG 3.35Å; D47-L51 PolarHBondContact O-N 3.41Å |
| 48 | L | 91.3 | Very high | 78.2 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -70.3 | -35.7 | 178.8 | -68.4 | 175.1 | 0 | 0 | 0 | 112.2 | F18 F22 L25 I30 T44 I45 L50 L51 C52 | F18-L48 HydrophobicContact CB-CD1 4.13Å; F18-L48 HydrophobicContact CD1-CD1 3.53Å; F18-L48 HydrophobicContact CD2-CD1 4.26Å; F18-L48 HydrophobicContact CE1-CD1 3.95Å; F18-L48 HydrophobicContact CG-CD1 3.73Å; F18-L48 HydrophobicContact CZ-CD1 4.47Å; F22-L48 HydrophobicContact CD1-CB 4.34Å; F22-L48 HydrophobicContact CD2-CB 3.95Å; F22-L48 HydrophobicContact CD2-CD1 3.78Å; F22-L48 HydrophobicContact CD2-CG 4.46Å; F22-L48 HydrophobicContact CE1-CB 3.99Å; F22-L48 HydrophobicContact CE2-CB 3.57Å; F22-L48 HydrophobicContact CE2-CD1 3.75Å; F22-L48 HydrophobicContact CE2-CG 4.32Å; F22-L48 HydrophobicContact CG-CB 4.32Å; F22-L48 HydrophobicContact CZ-CB 3.59Å; L25-L48 HydrophobicContact CD1-CB 4.09Å; L25-L48 HydrophobicContact CD1-CD2 3.6Å; L25-L48 HydrophobicContact CD1-CG 4.4Å; I30-L48 HydrophobicContact CG1-CD1 4.29Å; I30-L48 HydrophobicContact CG1-CD2 4.02Å; I30-L48 HydrophobicContact CG2-CD1 4.37Å; T44-L48 HydrophobicContact CG2-CD1 3.67Å; T44-L48 HydrophobicContact CG2-CG 4.08Å; T44-L48 VanDerWaalsContact O-CB 3.31Å; T44-L48 WeakPolarHBondContact O-CB 3.37Å; T44-L48 WeakPolarHBondContact O-CG 3.47Å; T44-L48 PolarHBondContact O-N 3.3Å; I45-L48 PolarHBondContact O-N 2.83Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L51 HydrophobicContact CD2-CD1 4.42Å; L48-L51 PolarHBondContact O-N 3.08Å; L48-C52 VanDerWaalsContact O-CB 3.3Å; L48-C52 WeakPolarHBondContact O-CB 3.33Å; L48-C52 PolarHBondContact O-N 3.32Å |
| 49 | L | 90.1 | Very high | 76.4 | Confident | 96 Ų | 96 | 75 Ų | 75 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 171.5 | -75.9 | 171.3 | 0 | 0 | 0 | 111.1 | F22 I45 C52 S53 | F22-L49 HydrophobicContact CE1-CD2 4.04Å; F22-L49 HydrophobicContact CE1-CG 4.34Å; F22-L49 HydrophobicContact CZ-CD2 4.15Å; F22-L49 HydrophobicContact CZ-CG 4.15Å; I45-L49 HydrophobicContact CG2-CD1 3.61Å; I45-L49 HydrophobicContact CG2-CG 4.12Å; I45-L49 WeakPolarHBondContact O-CB 3.46Å; I45-L49 VanDerWaalsContact O-CG 3.23Å; I45-L49 WeakPolarHBondContact O-CG 3.34Å; I45-L49 PolarHBondContact O-N 3.13Å; L49-C52 PolarHBondContact O-N 3.21Å; L49-S53 PolarHBondContact O-N 3.25Å; L49-S53 VanDerWaalsContact O-N 3.16Å |
| 50 | L | 87.7 | Confident | 74.8 | Confident | 125 Ų | 125 | 78 Ų | 78 | 65% | 0.654 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.4 | -46.3 | 176 | -175.7 | 62.6 | 0 | 0 | 0 | 111.4 | D46 D47 L48 C52 S53 | D46-L50 WeakPolarHBondContact O-CB 3.49Å; D46-L50 PolarHBondContact O-N 2.96Å; D47-L50 PolarHBondContact O-N 2.94Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L50-C52 PolarHBondContact O-N 2.86Å; L50-S53 PolarHBondContact O-N 3.29Å; L50-S53 PolarHBondContact O-OG 3.38Å |
| 51 | L | 84.2 | Confident | 72.7 | Confident | 96 Ų | 96 | 78 Ų | 78 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.9 | -32.2 | 177.5 | -70.4 | 171 | 0 | 0 | 0 | 113.7 | L25 T29 D47 L48 S53 | L25-L51 HydrophobicContact CD1-CB 4.28Å; L25-L51 HydrophobicContact CD2-CB 4.21Å; T29-L51 HydrophobicContact CG2-CD1 3.83Å; D47-L51 WeakPolarHBondContact O-CG 3.35Å; D47-L51 PolarHBondContact O-N 3.41Å; L48-L51 HydrophobicContact CD2-CD1 4.42Å; L48-L51 PolarHBondContact O-N 3.08Å; L51-S53 VanDerWaalsContact C-N 3.35Å |
| 52 | C | 80.8 | Confident | 70.7 | Confident | 52 Ų | 52 | 82 Ų | 82 | 35% | 0.351 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -78.5 | -18.5 | 178.4 | -159.2 | 0 | 0 | 0 | 0 | 112.9 | F22 L25 L48 L49 L50 P54 | F22-C52 HydrophobicContact CD1-CB 3.94Å; F22-C52 HydrophobicContact CE1-CB 4.17Å; L25-C52 HydrophobicContact CD1-CB 4.47Å; L48-C52 VanDerWaalsContact O-CB 3.3Å; L48-C52 WeakPolarHBondContact O-CB 3.33Å; L48-C52 PolarHBondContact O-N 3.32Å; L49-C52 PolarHBondContact O-N 3.21Å; L50-C52 PolarHBondContact O-N 2.86Å; C52-P54 WeakPolarHBondContact O-CD 3.37Å |
| 53 | S | 72.7 | Confident | 68.7 | Low | 52 Ų | 52 | 87.3 Ų | 87.3 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | trans | -65.7 | 122.5 | -173.4 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | L49 L50 L51 L55 | L49-S53 PolarHBondContact O-N 3.25Å; L49-S53 VanDerWaalsContact O-N 3.16Å; L50-S53 PolarHBondContact O-N 3.29Å; L50-S53 PolarHBondContact O-OG 3.38Å; L51-S53 VanDerWaalsContact C-N 3.35Å; S53-L55 PolarHBondContact O-N 2.67Å | ||
| 54 | P | 57.8 | Low | 66.8 | Low | 97 Ų | 97 | 92.8 Ų | 92.8 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 6.8 | -169 | 29.3 | -35.6 | 0 | 0 | 0 | 115.7 | C52 | C52-P54 WeakPolarHBondContact O-CD 3.37Š|
| 55 | L | 49.8 | Very low | 64.4 | Low | 162 Ų | 162 | 97.8 Ų | 97.8 | 85% | 0.848 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -18.9 | -169.2 | -92.5 | 163.9 | 0 | 0 | 0 | 115.8 | S53 R57 | S53-L55 PolarHBondContact O-N 2.67Å; L55-R57 PolarHBondContact O-N 2.79Å |
| 56 | A | 50.7 | Low | 61.8 | Low | 65 Ų | 65 | 106.3 Ų | 106.3 | 54% | 0.537 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -76.1 | 40.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 57 | R | 48.5 | Very low | 59.3 | Low | 105 Ų | 105 | 107.3 Ų | 107.3 | 40% | 0.396 | 59% | 0.588 | S | S | . | * | trans | -146.7 | 73.6 | -158.7 | -71.7 | -138.9 | -83.1 | -174.8 | -17 | 112.7 | L55 R88 | L55-R57 PolarHBondContact O-N 2.79Å; R57-R88 VanDerWaalsContact C-CB 3.46Å; R57-R88 HydrophobicContact CB-CB 3.34Å; R57-R88 HydrophobicContact CB-CG 4.03Å; R57-R88 HydrophobicContact CG-CB 3.82Å; R57-R88 PolarHBondContact O-NE 3.41Å; R57-R88 PolarHBondContact O-NH2 3.43Å | ||
| 58 | N | 47.4 | Very low | 57.4 | Low | 116 Ų | 116 | 113.2 Ų | 113.2 | 62% | 0.62 | 61% | 0.611 | S | S | * | * | trans | -165.3 | 159.2 | 162.9 | -94.1 | -25.4 | 0 | 0 | 0 | 114.7 | K89 | N58-K89 PolarHBondContact N-O 3.28Å; N58-K89 CarbonylContact O-C 3.4Å; N58-K89 VanDerWaalsContact O-CB 3.24Å; N58-K89 WeakPolarHBondContact O-CB 3.34Å | ||
| 59 | E | 47.1 | Very low | 55.2 | Low | 110 Ų | 110 | 121.6 Ų | 121.6 | 51% | 0.514 | 65% | 0.65 | S | S | . | * | trans | -98.2 | 149.3 | -157 | -55.8 | -108.8 | 111.4 | 0 | 0 | 117.3 | K89 | E59-K89 HydrophobicContact CB-CB 4.43Å; E59-K89 HydrophobicContact CB-CD 3.86Å; E59-K89 VanDerWaalsContact CD-CD 3.5Å; E59-K89 HydrophobicContact CG-CB 4.3Å; E59-K89 HydrophobicContact CG-CD 4.1Å; E59-K89 WeakPolarHBondContact OE1-CB 3.35Å; E59-K89 WeakPolarHBondContact OE1-CD 3.38Å; E59-K89 WeakPolarHBondContact OE1-CE 3.3Å; E59-K89 WeakPolarHBondContact OE1-CG 3.3Å; E59-K89 PolarHBondContact OE1-N 3Å; E59-K89 IonicContact OE1-NZ 3.32Å; E59-K89 IonicContact OE2-NZ 3.01Å; E59-K89 PolarHBondContact OE2-NZ 3.26Å | ||
| 60 | P | 46.5 | Very low | 52.7 | Low | 96 Ų | 96 | 122 Ų | 122 | 62% | 0.623 | 66% | 0.659 | S | S | * | * | -145.2 | 147.6 | 108.1 | 37.7 | -23.3 | 0 | 0 | 0 | 115.3 | K89 | P60-K89 VanDerWaalsContact C-NZ 3.34Å; P60-K89 VanDerWaalsContact O-CD 3.28Å; P60-K89 WeakPolarHBondContact O-CD 3.08Å; P60-K89 WeakPolarHBondContact O-CE 3.4Å | |||
| 61 | A | 41.8 | Very low | 50.2 | Low | 81 Ų | 81 | 122.4 Ų | 122.4 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | trans | -124.1 | 137.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | K89 | A61-K89 VanDerWaalsContact N-NZ 3.12Š| ||
| 62 | A | 47.3 | Very low | 48.3 | Very low | 90 Ų | 90 | 121.7 Ų | 121.7 | 74% | 0.744 | 68% | 0.678 | S | S | * | * | trans | -138.7 | 148 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 63 | K | 46.7 | Very low | 46.5 | Very low | 191 Ų | 191 | 127.3 Ų | 127.3 | 83% | 0.83 | 71% | 0.705 | S | S | * | * | trans | 76.7 | 97.4 | -179.7 | -48.3 | 169.9 | -174.6 | 179.1 | 0 | 114.4 | ||||
| 64 | H | 48.5 | Very low | 45.1 | Very low | 190 Ų | 190 | 128.3 Ų | 128.3 | 88% | 0.88 | 72% | 0.724 | S | S | * | * | -161.2 | 135.6 | 103.5 | -88.2 | -65.3 | 0 | 0 | 0 | 109.7 | |||||
| 65 | P | 39.4 | Very low | 44.4 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | trans | -99.4 | 144 | -175.8 | 36.4 | -32.3 | 0 | 0 | 0 | 113.9 | ||||
| 66 | R | 37.1 | Very low | 44.4 | Very low | 236 Ų | 236 | 130.2 Ų | 130.2 | 89% | 0.891 | 72% | 0.724 | S | S | * | * | trans | 64.1 | 124.4 | 152.3 | -59 | 170.3 | -165.8 | -144.7 | 2.6 | 118.7 | ||||
| 67 | T | 39.7 | Very low | 44.2 | Very low | 131 Ų | 131 | 132 Ų | 132 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | 157.7 | 90.6 | 129.2 | -59.4 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 68 | K | 50.7 | Low | 44.2 | Very low | 182 Ų | 182 | 132.9 Ų | 132.9 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | 48.6 | 105 | 99.8 | -69.4 | -165.9 | 177.8 | -170.1 | 0 | 113.8 | |||||
| 69 | E | 44.3 | Very low | 44.2 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | -171.4 | 140.4 | 122.7 | -88.9 | -36.4 | 112.5 | 0 | 0 | 110 | |||||
| 70 | P | 37.7 | Very low | 44.1 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | trans | -117.3 | 141.8 | 178.3 | 38.5 | -26.8 | 0 | 0 | 0 | 114.3 | ||||
| 71 | C | 36.5 | Very low | 43.6 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 90% | 0.899 | 78% | 0.781 | S | S | * | * | trans | -164.3 | 132 | 154 | -92.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 72 | A | 43.6 | Very low | 43.4 | Very low | 80 Ų | 80 | 134.4 Ų | 134.4 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | cis | 109.5 | 88.2 | 31.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 73 | N | 43.6 | Very low | 43 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | 67.9 | 137.2 | 141.2 | -54.4 | -18.9 | 0 | 0 | 0 | 122.9 | ||||
| 74 | G | 41.7 | Very low | 42.8 | Very low | 74 Ų | 74 | 135.4 Ų | 135.4 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | 106.3 | 135.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 75 | D | 43.6 | Very low | 43 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | cis | -162.9 | 163.6 | -19.3 | -146.4 | -8.1 | 0 | 0 | 0 | 111 | ||||
| 76 | Q | 50.6 | Low | 43.6 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 73% | 0.729 | 79% | 0.786 | S | S | * | * | trans | 62.3 | 103.7 | 156.3 | -67.7 | 172.4 | 72.7 | 0 | 0 | 122.8 | ||||
| 77 | S | 46.8 | Very low | 44 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | 98.7 | 140.1 | 115.4 | 80.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 78 | T | 47.7 | Very low | 44.8 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | trans | 85.9 | 91.5 | 161.1 | 69 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 79 | S | 47.6 | Very low | 45.1 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | 43.8 | 113.5 | 130.3 | 61.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 80 | S | 44.2 | Very low | 46.1 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | 95.5 | 114.4 | 85.2 | -178.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 81 | V | 36.9 | Very low | 47.4 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 87% | 0.867 | 74% | 0.737 | S | S | * | * | cis | -141.8 | 131.2 | -2.6 | -167.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 82 | G | 36.7 | Very low | 48.6 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | trans | -123.3 | 135.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 83 | V | 39.9 | Very low | 49.4 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -39.9 | 131.3 | 177.7 | 178 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 84 | L | 41.8 | Very low | 50.3 | Low | 168 Ų | 168 | 121.7 Ų | 121.7 | 88% | 0.88 | 71% | 0.706 | S | S | * | * | trans | -150.5 | 103.6 | 158.4 | -87.2 | 179.3 | 0 | 0 | 0 | 112.9 | ||||
| 85 | P | 52.7 | Low | 51.1 | Low | 105 Ų | 105 | 126.7 Ų | 126.7 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 125.5 | 166.2 | 31.7 | -30.6 | 0 | 0 | 0 | 111.4 | K87 | P85-K87 PolarHBondContact O-N 3.07Š|
| 86 | R | 51.1 | Low | 51.9 | Low | 209 Ų | 209 | 126.8 Ų | 126.8 | 79% | 0.789 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -55 | 122.6 | -179.7 | -68.2 | 168.8 | 167.9 | 162.2 | -6.4 | 112.7 | R88 | R86-R88 PolarHBondContact O-N 3.24Š|
| 87 | K | 46.7 | Very low | 53.1 | Low | 202 Ų | 202 | 128.3 Ų | 128.3 | 88% | 0.878 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 125.3 | 157.5 | -64.4 | -179.1 | -177.5 | 179 | 0 | 108.3 | P85 | P85-K87 PolarHBondContact O-N 3.07Š|
| 88 | R | 55.5 | Low | 54.3 | Low | 98 Ų | 98 | 129.2 Ų | 129.2 | 37% | 0.37 | 72% | 0.719 | S | S | . | * | trans | -138.4 | 119.5 | 164 | -70 | 174.4 | 64.3 | -151.7 | -5.5 | 105.4 | R57 R86 | R57-R88 VanDerWaalsContact C-CB 3.46Å; R57-R88 HydrophobicContact CB-CB 3.34Å; R57-R88 HydrophobicContact CB-CG 4.03Å; R57-R88 HydrophobicContact CG-CB 3.82Å; R57-R88 PolarHBondContact O-NE 3.41Å; R57-R88 PolarHBondContact O-NH2 3.43Å; R86-R88 PolarHBondContact O-N 3.24Å | ||
| 89 | K | 57.8 | Low | 55.5 | Low | 63 Ų | 63 | 129.2 Ų | 129.2 | 27% | 0.274 | 71% | 0.713 | S | S | . | * | trans | -57.5 | 156.7 | -171.9 | -94.4 | 162.4 | -161.3 | 139.2 | 0 | 114.7 | N58 E59 P60 A61 | N58-K89 PolarHBondContact N-O 3.28Å; N58-K89 CarbonylContact O-C 3.4Å; N58-K89 VanDerWaalsContact O-CB 3.24Å; N58-K89 WeakPolarHBondContact O-CB 3.34Å; E59-K89 HydrophobicContact CB-CB 4.43Å; E59-K89 HydrophobicContact CB-CD 3.86Å; E59-K89 VanDerWaalsContact CD-CD 3.5Å; E59-K89 HydrophobicContact CG-CB 4.3Å; E59-K89 HydrophobicContact CG-CD 4.1Å; E59-K89 WeakPolarHBondContact OE1-CB 3.35Å; E59-K89 WeakPolarHBondContact OE1-CD 3.38Å; E59-K89 WeakPolarHBondContact OE1-CE 3.3Å; E59-K89 WeakPolarHBondContact OE1-CG 3.3Å; E59-K89 PolarHBondContact OE1-N 3Å; E59-K89 IonicContact OE1-NZ 3.32Å; E59-K89 IonicContact OE2-NZ 3.01Å; E59-K89 PolarHBondContact OE2-NZ 3.26Å; P60-K89 VanDerWaalsContact C-NZ 3.34Å; P60-K89 VanDerWaalsContact O-CD 3.28Å; P60-K89 WeakPolarHBondContact O-CD 3.08Å; P60-K89 WeakPolarHBondContact O-CE 3.4Å; A61-K89 VanDerWaalsContact N-NZ 3.12Å | ||
| 90 | V | 65.6 | Low | 56.9 | Low | 113 Ų | 113 | 127.8 Ų | 127.8 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | trans | -89.8 | 138.7 | 165.5 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | S92 | V90-S92 PolarHBondContact O-N 3.07Š| ||
| 91 | Y | 65.6 | Low | 58 | Low | 194 Ų | 194 | 132.7 Ų | 132.7 | 76% | 0.761 | 70% | 0.703 | S | S | * | * | trans | -72.1 | 92 | 176.4 | -168.7 | -89.4 | 0 | 0 | 0 | 110.5 | A93 | Y91-A93 HydrophobicContact CD1-CB 4.32Å; Y91-A93 HydrophobicContact CE1-CB 4.09Å; Y91-A93 PolarHBondContact O-N 2.95Å | ||
| 92 | S | 61.5 | Low | 59.6 | Low | 103 Ų | 103 | 131.1 Ų | 131.1 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | trans | -76.7 | 98.1 | 167.8 | 62.1 | 0 | 0 | 0 | 0 | 109.1 | V90 A94 | V90-S92 PolarHBondContact O-N 3.07Å; S92-A94 PolarHBondContact O-N 3.36Å | ||
| 93 | A | 59.6 | Low | 61.5 | Low | 35 Ų | 35 | 133.5 Ų | 133.5 | 29% | 0.289 | 68% | 0.68 | S | S | . | * | trans | -60.1 | 109.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y91 M95 L96 | Y91-A93 HydrophobicContact CD1-CB 4.32Å; Y91-A93 HydrophobicContact CE1-CB 4.09Å; Y91-A93 PolarHBondContact O-N 2.95Å; A93-M95 PolarHBondContact O-N 2.88Å; A93-L96 HydrophobicContact CB-CB 4.27Å; A93-L96 HydrophobicContact CB-CD1 3.89Å; A93-L96 HydrophobicContact CB-CG 4.22Å; A93-L96 PolarHBondContact O-N 3.46Å | ||
| 94 | A | 62.5 | Low | 63 | Low | 97 Ų | 97 | 135.1 Ų | 135.1 | 80% | 0.802 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 5.3 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | S92 | S92-A94 PolarHBondContact O-N 3.36Š|
| 95 | M | 58.7 | Low | 64.5 | Low | 180 Ų | 180 | 135 Ų | 135 | 89% | 0.887 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | -8.6 | 175.8 | -62.1 | -90.2 | 75.1 | 0 | 0 | 113 | A93 | A93-M95 PolarHBondContact O-N 2.88Š|
| 96 | L | 61.3 | Low | 65.2 | Low | 143 Ų | 143 | 137 Ų | 137 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | trans | -96.4 | 109.9 | 179 | -68.8 | 175.8 | 0 | 0 | 0 | 109.9 | A93 | A93-L96 HydrophobicContact CB-CB 4.27Å; A93-L96 HydrophobicContact CB-CD1 3.89Å; A93-L96 HydrophobicContact CB-CG 4.22Å; A93-L96 PolarHBondContact O-N 3.46Å | ||
| 97 | K | 73.9 | Confident | 65.4 | Low | 188 Ų | 188 | 132 Ų | 132 | 82% | 0.817 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 154 | 162.3 | -66.7 | 177.1 | -179.4 | 175.5 | 0 | 109 | L99 | K97-L99 PolarHBondContact O-N 2.95Š|
| 98 | P | 73.2 | Confident | 65.8 | Low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 129.1 | 171.5 | -24.3 | 33.7 | 0 | 0 | 0 | 109.9 | P100 | P98-P100 VanDerWaalsContact O-CD 3.31Å; P98-P100 WeakPolarHBondContact O-CD 3.24Å |
| 99 | L | 72.8 | Confident | 65.6 | Low | 123 Ų | 123 | 131.3 Ų | 131.3 | 64% | 0.644 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -57 | 122 | 180 | -162.6 | 73.2 | 0 | 0 | 0 | 108.2 | K97 R101 F103 | K97-L99 PolarHBondContact O-N 2.95Å; L99-R101 PolarHBondContact O-N 2.99Å; L99-F103 HydrophobicContact CD1-CB 4.32Å; L99-F103 HydrophobicContact CD1-CD1 3.55Å; L99-F103 HydrophobicContact CD1-CD2 3.86Å; L99-F103 HydrophobicContact CD1-CE1 3.68Å; L99-F103 HydrophobicContact CD1-CE2 3.99Å; L99-F103 HydrophobicContact CD1-CG 3.63Å; L99-F103 HydrophobicContact CD1-CZ 3.9Å; L99-F103 HydrophobicContact CD2-CB 3.82Å; L99-F103 HydrophobicContact CD2-CD1 4.19Å; L99-F103 HydrophobicContact CD2-CG 4.03Å; L99-F103 HydrophobicContact CG-CB 3.78Å; L99-F103 HydrophobicContact CG-CD1 3.98Å; L99-F103 HydrophobicContact CG-CD2 3.94Å; L99-F103 HydrophobicContact CG-CG 3.62Å |
| 100 | P | 78 | Confident | 65 | Low | 77 Ų | 77 | 132.3 Ų | 132.3 | 50% | 0.5 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -50.7 | 139.7 | 177.6 | -27.4 | 30.9 | 0 | 0 | 0 | 111 | P98 D102 F103 | P98-P100 VanDerWaalsContact O-CD 3.31Å; P98-P100 WeakPolarHBondContact O-CD 3.24Å; P100-D102 PolarHBondContact O-N 2.67Å; P100-F103 HydrophobicContact CB-CD2 3.93Å; P100-F103 HydrophobicContact CB-CE2 4.42Å; P100-F103 VanDerWaalsContact CD-CD2 3.48Å; P100-F103 HydrophobicContact CG-CD2 3.81Å; P100-F103 HydrophobicContact CG-CE2 3.82Å; P100-F103 WeakPolarHBondContact O-CB 3.37Å; P100-F103 PolarHBondContact O-N 2.97Å |
| 101 | R | 67.2 | Low | 64 | Low | 216 Ų | 216 | 132.7 Ų | 132.7 | 82% | 0.815 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -17.8 | -174.1 | -67.8 | -180 | 175.3 | 177.2 | -2.1 | 113.3 | L99 R105 | L99-R101 PolarHBondContact O-N 2.99Å; R101-R105 WeakPolarHBondContact O-CD 3.4Å; R101-R105 PolarHBondContact O-NE 3.29Å; R101-R105 PolarHBondContact O-NH1 3.41Å |
| 102 | D | 70.7 | Confident | 63.2 | Low | 111 Ų | 111 | 130.8 Ų | 130.8 | 59% | 0.594 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 11.9 | -176.9 | -45.3 | -52.3 | 0 | 0 | 0 | 113 | P100 L104 R105 | P100-D102 PolarHBondContact O-N 2.67Å; D102-L104 PolarHBondContact O-N 2.98Å; D102-R105 HydrophobicContact CB-CB 4.26Å; D102-R105 PolarHBondContact O-N 3.31Å; D102-R105 IonicContact OD1-NH1 3.49Å |
| 103 | F | 75.9 | Confident | 62.4 | Low | 122 Ų | 122 | 129.9 Ų | 129.9 | 54% | 0.535 | 71% | 0.71 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.5 | 125.6 | 166.6 | -109.8 | -108.3 | 0 | 0 | 0 | 110 | L99 P100 R105 | L99-F103 HydrophobicContact CD1-CB 4.32Å; L99-F103 HydrophobicContact CD1-CD1 3.55Å; L99-F103 HydrophobicContact CD1-CD2 3.86Å; L99-F103 HydrophobicContact CD1-CE1 3.68Å; L99-F103 HydrophobicContact CD1-CE2 3.99Å; L99-F103 HydrophobicContact CD1-CG 3.63Å; L99-F103 HydrophobicContact CD1-CZ 3.9Å; L99-F103 HydrophobicContact CD2-CB 3.82Å; L99-F103 HydrophobicContact CD2-CD1 4.19Å; L99-F103 HydrophobicContact CD2-CG 4.03Å; L99-F103 HydrophobicContact CG-CB 3.78Å; L99-F103 HydrophobicContact CG-CD1 3.98Å; L99-F103 HydrophobicContact CG-CD2 3.94Å; L99-F103 HydrophobicContact CG-CG 3.62Å; P100-F103 HydrophobicContact CB-CD2 3.93Å; P100-F103 HydrophobicContact CB-CE2 4.42Å; P100-F103 VanDerWaalsContact CD-CD2 3.48Å; P100-F103 HydrophobicContact CG-CD2 3.81Å; P100-F103 HydrophobicContact CG-CE2 3.82Å; P100-F103 WeakPolarHBondContact O-CB 3.37Å; P100-F103 PolarHBondContact O-N 2.97Å; F103-R105 PolarHBondContact O-N 3.39Å; F103-R105 VanDerWaalsContact O-N 3.12Å |
| 104 | L | 71.5 | Confident | 61.5 | Low | 169 Ų | 169 | 136.6 Ų | 136.6 | 89% | 0.885 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.1 | 4.5 | -174.7 | -50.6 | 177.3 | 0 | 0 | 0 | 115.5 | D102 L106 | D102-L104 PolarHBondContact O-N 2.98Å; L104-L106 PolarHBondContact O-N 2.93Å; L104-L106 VanDerWaalsContact O-N 3.15Å |
| 105 | R | 73.9 | Confident | 60.5 | Low | 164 Ų | 164 | 138.2 Ų | 138.2 | 62% | 0.619 | 74% | 0.735 | S | S | * | * | trans | -85.9 | 81.1 | 169.3 | -63.4 | -171.3 | 177.5 | 154.9 | -2.3 | 109.6 | R101 D102 F103 S107 | R101-R105 WeakPolarHBondContact O-CD 3.4Å; R101-R105 PolarHBondContact O-NE 3.29Å; R101-R105 PolarHBondContact O-NH1 3.41Å; D102-R105 HydrophobicContact CB-CB 4.26Å; D102-R105 PolarHBondContact O-N 3.31Å; D102-R105 IonicContact OD1-NH1 3.49Å; F103-R105 PolarHBondContact O-N 3.39Å; F103-R105 VanDerWaalsContact O-N 3.12Å; R105-S107 PolarHBondContact O-N 3.42Å | ||
| 106 | L | 65.9 | Low | 59.6 | Low | 148 Ų | 148 | 134 Ų | 134 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | trans | -68.8 | 96.1 | 168.6 | -62.8 | 177.2 | 0 | 0 | 0 | 108.9 | L104 L108 | L104-L106 PolarHBondContact O-N 2.93Å; L104-L106 VanDerWaalsContact O-N 3.15Å; L106-L108 HydrophobicContact CB-CD1 4.06Å; L106-L108 PolarHBondContact O-N 3.3Å | ||
| 107 | S | 55.6 | Low | 58.7 | Low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -69.4 | 89.5 | 173.2 | 33.4 | 0 | 0 | 0 | 0 | 110.4 | R105 T109 | R105-S107 PolarHBondContact O-N 3.42Å; S107-T109 PolarHBondContact O-N 3.08Å | ||
| 108 | L | 54.7 | Low | 57.2 | Low | 161 Ų | 161 | 127.8 Ų | 127.8 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | trans | -71.2 | 69.2 | 167.9 | -88.8 | 76.3 | 0 | 0 | 0 | 110.8 | L106 | L106-L108 HydrophobicContact CB-CD1 4.06Å; L106-L108 PolarHBondContact O-N 3.3Å | ||
| 109 | T | 51.1 | Low | 55.9 | Low | 125 Ų | 125 | 129.8 Ų | 129.8 | 77% | 0.767 | 72% | 0.72 | S | S | * | * | trans | -141.2 | 87.2 | 164 | 53.6 | 0 | 0 | 0 | 0 | 107.8 | S107 | S107-T109 PolarHBondContact O-N 3.08Š| ||
| 110 | S | 45.5 | Very low | 54.6 | Low | 83 Ų | 83 | 129.4 Ų | 129.4 | 58% | 0.58 | 72% | 0.722 | S | S | * | * | trans | -88.5 | 148.1 | 170.4 | 68.8 | 0 | 0 | 0 | 0 | 110.6 | K144 | S110-K144 VanDerWaalsContact CB-NZ 3.31Å; S110-K144 PolarHBondContact OG-NZ 3.49Å | ||
| 111 | D | 45 | Very low | 52.4 | Low | 121 Ų | 121 | 132.2 Ų | 132.2 | 65% | 0.647 | 74% | 0.742 | S | S | * | * | trans | 78.2 | 69.8 | 156.9 | -34.3 | -43.4 | 0 | 0 | 0 | 117.9 | K144 | D111-K144 IonicContact OD1-NZ 2.72Å; D111-K144 PolarHBondContact OD1-NZ 3.48Å; D111-K144 IonicContact OD2-NZ 3.21Å; D111-K144 PolarHBondContact OD2-NZ 2.91Å | ||
| 112 | V | 49.6 | Very low | 51.2 | Low | 154 Ų | 154 | 132.2 Ų | 132.2 | 93% | 0.933 | 74% | 0.742 | S | S | * | * | -153 | 150.4 | 126.5 | -105.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 113 | A | 43.9 | Very low | 49.7 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | trans | -51.4 | 146.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 114 | E | 41.3 | Very low | 48.2 | Very low | 176 Ų | 176 | 131.2 Ų | 131.2 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | 43 | 143.2 | 117.5 | -149.9 | 170.3 | 173.5 | 0 | 0 | 120.3 | |||||
| 115 | T | 40.2 | Very low | 47.1 | Very low | 130 Ų | 130 | 129 Ų | 129 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | trans | 89.9 | 90.7 | 178.1 | 71.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 116 | A | 41.5 | Very low | 45.6 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | 27.4 | 140.4 | 130 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 117 | S | 41.9 | Very low | 44.5 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | 93.3 | 126.5 | 152.1 | -32.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 118 | S | 43 | Very low | 43.7 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | trans | 50.8 | 112 | 142.8 | -72.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 119 | E | 45.8 | Very low | 43.2 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | 82.3 | 160 | 120.5 | -67 | 158.8 | -127.1 | 0 | 0 | 120.7 | |||||
| 120 | T | 44.5 | Very low | 42.8 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | 65.2 | 78.1 | 168.5 | 42.6 | 0 | 0 | 0 | 0 | 118.5 | R122 | T120-R122 PolarHBondContact O-N 3.38Š| ||
| 121 | C | 32.9 | Very low | 42.6 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 92% | 0.919 | 78% | 0.775 | S | S | * | * | trans | -53.7 | 124.8 | 144.9 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 122 | R | 41.8 | Very low | 42.4 | Very low | 216 Ų | 216 | 135.2 Ų | 135.2 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | trans | -134.9 | 113 | 160.9 | -73.3 | -174.9 | 172.1 | -173.8 | -1.6 | 105.8 | T120 | T120-R122 PolarHBondContact O-N 3.38Š| ||
| 123 | S | 37.6 | Very low | 42 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | 75.8 | 139 | 86.8 | -71.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 124 | A | 44.2 | Very low | 42.5 | Very low | 95 Ų | 95 | 136 Ų | 136 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 70.9 | 137.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 125 | E | 49.1 | Very low | 43.5 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 58% | 0.575 | 77% | 0.772 | S | S | * | * | cis | -153.3 | 141.1 | -5.3 | -170.1 | 109.4 | 117.3 | 0 | 0 | 110 | R127 | E125-R127 HydrophobicContact CG-CB 4.22Å; E125-R127 HydrophobicContact CG-CG 4Å; E125-R127 PolarHBondContact O-N 3.01Å; E125-R127 VanDerWaalsContact O-N 3.14Å; E125-R127 IonicContact OE1-CZ 3.34Å; E125-R127 IonicContact OE1-NE 3.75Å; E125-R127 PolarHBondContact OE1-NE 3.42Å; E125-R127 IonicContact OE1-NH2 3.88Å; E125-R127 PolarHBondContact OE1-NH2 2.86Å | ||
| 126 | R | 43.1 | Very low | 44.8 | Very low | 257 Ų | 257 | 135.6 Ų | 135.6 | 97% | 0.97 | 76% | 0.762 | S | S | * | * | trans | -75.1 | 94.3 | 158.7 | -76.4 | -167.8 | -179.5 | -151 | 3.8 | 109.4 | ||||
| 127 | R | 42.4 | Very low | 46.3 | Very low | 203 Ų | 203 | 133 Ų | 133 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | trans | -136.3 | 120.4 | 166.6 | -96.9 | -169.8 | -87.5 | 157 | -5.9 | 111.8 | E125 | E125-R127 HydrophobicContact CG-CB 4.22Å; E125-R127 HydrophobicContact CG-CG 4Å; E125-R127 PolarHBondContact O-N 3.01Å; E125-R127 VanDerWaalsContact O-N 3.14Å; E125-R127 IonicContact OE1-CZ 3.34Å; E125-R127 IonicContact OE1-NE 3.75Å; E125-R127 PolarHBondContact OE1-NE 3.42Å; E125-R127 IonicContact OE1-NH2 3.88Å; E125-R127 PolarHBondContact OE1-NH2 2.86Å | ||
| 128 | G | 39 | Very low | 48.1 | Very low | 71 Ų | 71 | 130.3 Ų | 130.3 | 73% | 0.732 | 72% | 0.719 | S | S | * | * | trans | 79.1 | 124.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P130 | G128-P130 WeakPolarHBondContact O-CD 3.4Š| ||
| 129 | V | 44 | Very low | 50 | Low | 142 Ų | 142 | 129 Ų | 129 | 86% | 0.861 | 71% | 0.707 | S | S | * | * | trans | -77 | 105.6 | 142.3 | 174.8 | 0 | 0 | 0 | 0 | 104.4 | Q131 | V129-Q131 PolarHBondContact O-N 3.11Š| ||
| 130 | P | 41.9 | Very low | 51.9 | Low | 99 Ų | 99 | 128.8 Ų | 128.8 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | trans | -62.5 | 133.4 | 156.4 | 29.8 | -31 | 0 | 0 | 0 | 105.4 | G128 A132 | G128-P130 WeakPolarHBondContact O-CD 3.4Å; P130-A132 PolarHBondContact O-N 2.96Å | ||
| 131 | Q | 41.4 | Very low | 54.1 | Low | 186 Ų | 186 | 128.6 Ų | 128.6 | 87% | 0.869 | 70% | 0.697 | S | S | * | * | trans | -63.8 | 82.3 | 156.6 | -178.7 | -179.9 | -10.8 | 0 | 0 | 105.7 | V129 Q133 | V129-Q131 PolarHBondContact O-N 3.11Å; Q131-Q133 VanDerWaalsContact C-N 3.25Å; Q131-Q133 PolarHBondContact O-N 3.14Å | ||
| 132 | A | 41.4 | Very low | 56.7 | Low | 78 Ų | 78 | 122.4 Ų | 122.4 | 65% | 0.645 | 65% | 0.654 | S | S | * | * | trans | -64.3 | 97.2 | 176 | 0 | 0 | 0 | 0 | 0 | 105.6 | P130 A134 | P130-A132 PolarHBondContact O-N 2.96Å; A132-A134 VanDerWaalsContact C-N 3.32Å; A132-A134 PolarHBondContact O-N 3.16Å | ||
| 133 | Q | 41.8 | Very low | 58.9 | Low | 168 Ų | 168 | 115 Ų | 115 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | trans | -42.1 | 110.4 | 149.7 | -66.6 | 174.2 | -15.9 | 0 | 0 | 104.4 | Q131 Q135 | Q131-Q133 VanDerWaalsContact C-N 3.25Å; Q131-Q133 PolarHBondContact O-N 3.14Å; Q133-Q135 VanDerWaalsContact C-N 3.28Å; Q133-Q135 PolarHBondContact O-N 2.87Å | ||
| 134 | A | 53.7 | Low | 61.4 | Low | 89 Ų | 89 | 113.4 Ų | 113.4 | 74% | 0.736 | 61% | 0.607 | S | S | * | * | trans | -62.2 | 100.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | A132 L136 | A132-A134 VanDerWaalsContact C-N 3.32Å; A132-A134 PolarHBondContact O-N 3.16Å; A134-L136 PolarHBondContact O-N 3.16Å | ||
| 135 | Q | 61.4 | Low | 63.7 | Low | 184 Ų | 184 | 112.5 Ų | 112.5 | 86% | 0.86 | 59% | 0.589 | S | S | * | * | trans | -64.4 | 106.3 | -174.4 | -70 | -175.4 | 2 | 0 | 0 | 105.5 | Q133 | Q133-Q135 VanDerWaalsContact C-N 3.28Å; Q133-Q135 PolarHBondContact O-N 2.87Å | ||
| 136 | L | 67.6 | Low | 65.5 | Low | 112 Ų | 112 | 107.7 Ų | 107.7 | 59% | 0.586 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 131.9 | 177 | -70 | 170.5 | 0 | 0 | 0 | 107.1 | A134 S138 E177 | A134-L136 PolarHBondContact O-N 3.16Å; L136-S138 PolarHBondContact O-N 3.41Å; L136-S138 VanDerWaalsContact O-N 3.13Å; L136-E177 HydrophobicContact CD1-CG 3.94Å |
| 137 | P | 73.3 | Confident | 67.8 | Low | 38 Ų | 38 | 98.9 Ų | 98.9 | 25% | 0.247 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 125.3 | -172.4 | 22 | -32.5 | 0 | 0 | 0 | 109 | Q141 L142 Q175 | P137-Q141 HydrophobicContact CB-CB 4.2Å; P137-L142 HydrophobicContact CB-CD1 4.46Å; P137-L142 HydrophobicContact CG-CD1 3.96Å; P137-Q175 HydrophobicContact CG-CB 4.06Å |
| 138 | S | 80.5 | Confident | 70.2 | Confident | 55 Ų | 55 | 93 Ų | 93 | 39% | 0.385 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 151.8 | 175.4 | 61.8 | 0 | 0 | 0 | 0 | 109.9 | L136 Q140 Q141 L142 | L136-S138 PolarHBondContact O-N 3.41Å; L136-S138 VanDerWaalsContact O-N 3.13Å; S138-Q140 PolarHBondContact O-N 3.32Å; S138-Q141 WeakPolarHBondContact O-CA 3.09Å; S138-Q141 WeakPolarHBondContact O-CB 3.42Å; S138-Q141 PolarHBondContact O-N 3.01Å; S138-Q141 VanDerWaalsContact OG-CD 3.31Å; S138-Q141 WeakPolarHBondContact OG-CG 3.39Å; S138-Q141 PolarHBondContact OG-N 2.82Å; S138-Q141 PolarHBondContact OG-OE1 3.22Å; S138-L142 PolarHBondContact O-N 3.4Å |
| 139 | V | 82.1 | Confident | 72.8 | Confident | 61 Ų | 61 | 89.7 Ų | 89.7 | 37% | 0.37 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -52.8 | -29.7 | -178.7 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | Q143 | V139-Q143 WeakPolarHBondContact O-CB 3.16Å; V139-Q143 PolarHBondContact O-N 3.29Å |
| 140 | Q | 86.6 | Confident | 75 | Confident | 160 Ų | 160 | 88.2 Ų | 88.2 | 75% | 0.748 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -72.2 | -44.5 | 174 | -64.3 | -177 | -1 | 0 | 0 | 113.3 | S138 L142 Q143 K144 | S138-Q140 PolarHBondContact O-N 3.32Å; Q140-L142 VanDerWaalsContact C-N 3.29Å; Q140-L142 PolarHBondContact O-N 3.04Å; Q140-Q143 PolarHBondContact O-N 3.1Å; Q140-K144 PolarHBondContact O-N 2.97Å |
| 141 | Q | 89.4 | Confident | 77.4 | Confident | 110 Ų | 110 | 87.4 Ų | 87.4 | 51% | 0.514 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 173 | -73.2 | 163.1 | -44.5 | 0 | 0 | 110.9 | P137 S138 Q143 K144 L145 | P137-Q141 HydrophobicContact CB-CB 4.2Å; S138-Q141 WeakPolarHBondContact O-CA 3.09Å; S138-Q141 WeakPolarHBondContact O-CB 3.42Å; S138-Q141 PolarHBondContact O-N 3.01Å; S138-Q141 VanDerWaalsContact OG-CD 3.31Å; S138-Q141 WeakPolarHBondContact OG-CG 3.39Å; S138-Q141 PolarHBondContact OG-N 2.82Å; S138-Q141 PolarHBondContact OG-OE1 3.22Å; Q141-Q143 PolarHBondContact O-N 3.43Å; Q141-K144 WeakPolarHBondContact O-CB 3.37Å; Q141-K144 PolarHBondContact O-N 2.76Å; Q141-L145 WeakPolarHBondContact O-CG 3.37Å; Q141-L145 PolarHBondContact O-N 2.9Å |
| 142 | L | 87.8 | Confident | 79.8 | Confident | 6 Ų | 6 | 85 Ų | 85 | 3% | 0.031 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -59 | -46.4 | 174.7 | -157.6 | 82.6 | 0 | 0 | 0 | 111.9 | P137 S138 Q140 K144 L145 M146 I172 Q175 N176 | P137-L142 HydrophobicContact CB-CD1 4.46Å; P137-L142 HydrophobicContact CG-CD1 3.96Å; S138-L142 PolarHBondContact O-N 3.4Å; Q140-L142 VanDerWaalsContact C-N 3.29Å; Q140-L142 PolarHBondContact O-N 3.04Å; L142-K144 VanDerWaalsContact C-N 3.35Å; L142-K144 PolarHBondContact O-N 3.02Å; L142-L145 PolarHBondContact O-N 3.18Å; L142-M146 WeakPolarHBondContact O-CG 3.43Å; L142-M146 PolarHBondContact O-N 3.25Å; L142-I172 HydrophobicContact CD1-CG2 3.8Å; L142-I172 WeakPolarHBondContact CD1-O 3.33Å; L142-I172 HydrophobicContact CG-CG2 3.89Å; L142-Q175 HydrophobicContact CD1-CB 4.11Å; L142-N176 HydrophobicContact CD2-CB 3.69Å |
| 143 | Q | 88.2 | Confident | 82.1 | Confident | 61 Ų | 61 | 82.9 Ų | 82.9 | 29% | 0.285 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 177 | -178.4 | 155.5 | 61.5 | 0 | 0 | 112 | V139 Q140 Q141 M146 D147 | V139-Q143 WeakPolarHBondContact O-CB 3.16Å; V139-Q143 PolarHBondContact O-N 3.29Å; Q140-Q143 PolarHBondContact O-N 3.1Å; Q141-Q143 PolarHBondContact O-N 3.43Å; Q143-M146 PolarHBondContact O-N 3.37Å; Q143-D147 PolarHBondContact O-N 3.32Å |
| 144 | K | 91 | Very high | 84.3 | Confident | 84 Ų | 84 | 83.6 Ų | 83.6 | 37% | 0.365 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 173.7 | -167.8 | 177.3 | -170 | 176.5 | 0 | 111.5 | S110 D111 Q140 Q141 L142 M146 D147 D148 | S110-K144 VanDerWaalsContact CB-NZ 3.31Å; S110-K144 PolarHBondContact OG-NZ 3.49Å; D111-K144 IonicContact OD1-NZ 2.72Å; D111-K144 PolarHBondContact OD1-NZ 3.48Å; D111-K144 IonicContact OD2-NZ 3.21Å; D111-K144 PolarHBondContact OD2-NZ 2.91Å; Q140-K144 PolarHBondContact O-N 2.97Å; Q141-K144 WeakPolarHBondContact O-CB 3.37Å; Q141-K144 PolarHBondContact O-N 2.76Å; L142-K144 VanDerWaalsContact C-N 3.35Å; L142-K144 PolarHBondContact O-N 3.02Å; K144-M146 VanDerWaalsContact C-N 3.31Å; K144-M146 PolarHBondContact O-N 2.61Å; K144-D147 PolarHBondContact O-N 3.13Å; K144-D148 PolarHBondContact O-N 2.86Å |
| 145 | L | 91.9 | Very high | 85.9 | Confident | 75 Ų | 75 | 84.3 Ų | 84.3 | 39% | 0.393 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 176 | -68.6 | 171.1 | 0 | 0 | 0 | 112.3 | Q141 L142 N149 I172 | Q141-L145 WeakPolarHBondContact O-CG 3.37Å; Q141-L145 PolarHBondContact O-N 2.9Å; L142-L145 PolarHBondContact O-N 3.18Å; L145-N149 WeakPolarHBondContact O-CB 3.42Å; L145-N149 PolarHBondContact O-N 3.43Å; L145-I172 HydrophobicContact CB-CD1 4.04Å; L145-I172 HydrophobicContact CB-CG1 4.29Å; L145-I172 HydrophobicContact CB-CG2 4.05Å |
| 146 | M | 88 | Confident | 87.2 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 11% | 0.108 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 176.1 | -75.4 | -157.3 | 67.5 | 0 | 0 | 113.2 | L142 Q143 K144 N149 F150 R169 I172 I173 L282 | L142-M146 WeakPolarHBondContact O-CG 3.43Å; L142-M146 PolarHBondContact O-N 3.25Å; Q143-M146 PolarHBondContact O-N 3.37Å; K144-M146 VanDerWaalsContact C-N 3.31Å; K144-M146 PolarHBondContact O-N 2.61Å; M146-N149 PolarHBondContact O-N 2.92Å; M146-F150 WeakPolarHBondContact O-CB 3.4Å; M146-F150 PolarHBondContact O-N 2.81Å; M146-R169 HydrophobicContact CE-CG 3.94Å; M146-I172 HydrophobicContact CG-CB 4.45Å; M146-I172 HydrophobicContact CG-CG2 3.55Å; M146-I173 HydrophobicContact CE-CD1 3.76Å; M146-I173 HydrophobicContact CE-CG1 3.77Å; M146-I173 HydrophobicContact SD-CD1 4.32Å; M146-I173 HydrophobicContact SD-CG1 3.64Å; M146-L282 HydrophobicContact CE-CD1 3.38Å; M146-L282 HydrophobicContact SD-CD1 3.51Å; M146-L282 VanDerWaalsContact SD-CD1 3.51Å; M146-L282 HydrophobicContact SD-CD2 3.65Å; M146-L282 HydrophobicContact SD-CG 4.21Å |
| 147 | D | 91.3 | Very high | 88 | Confident | 73 Ų | 73 | 76.4 Ų | 76.4 | 39% | 0.39 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 177.7 | -74.3 | -29.4 | 0 | 0 | 0 | 110.6 | Q143 K144 F150 N151 | Q143-D147 PolarHBondContact O-N 3.32Å; K144-D147 PolarHBondContact O-N 3.13Å; D147-F150 PolarHBondContact O-N 3.23Å; D147-N151 WeakPolarHBondContact O-CB 3.41Å; D147-N151 PolarHBondContact O-N 3.23Å; D147-N151 PolarHBondContact O-ND2 3Å |
| 148 | D | 92.6 | Very high | 88.9 | Confident | 79 Ų | 79 | 77.9 Ų | 77.9 | 42% | 0.422 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 173.1 | -76.9 | -22.4 | 0 | 0 | 0 | 112.6 | K144 F150 N151 R152 | K144-D148 PolarHBondContact O-N 2.86Å; D148-F150 VanDerWaalsContact C-N 3.35Å; D148-F150 PolarHBondContact O-N 2.69Å; D148-N151 PolarHBondContact O-N 3.33Å; D148-R152 WeakPolarHBondContact O-CG 3.36Å; D148-R152 PolarHBondContact O-N 3.37Å |
| 149 | N | 92.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 79.8 Ų | 79.8 | 1% | 0.011 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 174.9 | 169.5 | -85.6 | 0 | 0 | 0 | 112 | L145 M146 R152 T153 L165 E168 R169 I172 | L145-N149 WeakPolarHBondContact O-CB 3.42Å; L145-N149 PolarHBondContact O-N 3.43Å; M146-N149 PolarHBondContact O-N 2.92Å; N149-R152 PolarHBondContact O-N 2.98Å; N149-T153 WeakPolarHBondContact O-CB 3.28Å; N149-T153 PolarHBondContact O-N 3.32Å; N149-T153 PolarHBondContact O-OG1 2.77Å; N149-L165 PolarHBondContact ND2-O 3.39Å; N149-E168 PolarHBondContact ND2-OE2 2.73Å; N149-R169 WeakPolarHBondContact OD1-CB 3.4Å; N149-I172 HydrophobicContact CB-CD1 3.96Å |
| 150 | F | 90.6 | Very high | 90 | Very high | 110 Ų | 110 | 84 Ų | 84 | 48% | 0.482 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 175.9 | -176.6 | -110.2 | 0 | 0 | 0 | 111.8 | M146 D147 D148 T153 R154 | M146-F150 WeakPolarHBondContact O-CB 3.4Å; M146-F150 PolarHBondContact O-N 2.81Å; D147-F150 PolarHBondContact O-N 3.23Å; D148-F150 VanDerWaalsContact C-N 3.35Å; D148-F150 PolarHBondContact O-N 2.69Å; F150-T153 PolarHBondContact O-N 3.49Å; F150-R154 VanDerWaalsContact CE1-CD 3.42Å; F150-R154 HydrophobicContact CE1-CG 4.39Å; F150-R154 HydrophobicContact CZ-CG 4.34Å; F150-R154 WeakPolarHBondContact O-CG 3.45Å; F150-R154 PolarHBondContact O-N 3.26Å |
| 151 | N | 91.8 | Very high | 90.2 | Very high | 82 Ų | 82 | 80 Ų | 80 | 44% | 0.439 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.9 | -72 | -33.8 | 0 | 0 | 0 | 112 | D147 D148 R154 S155 | D147-N151 WeakPolarHBondContact O-CB 3.41Å; D147-N151 PolarHBondContact O-N 3.23Å; D147-N151 PolarHBondContact O-ND2 3Å; D148-N151 PolarHBondContact O-N 3.33Å; N151-R154 PolarHBondContact O-N 2.7Å; N151-S155 WeakPolarHBondContact O-CB 3.35Å; N151-S155 PolarHBondContact O-N 3.12Å; N151-S155 VanDerWaalsContact O-N 3.12Å; N151-S155 PolarHBondContact O-OG 3.49Å |
| 152 | R | 91.7 | Very high | 90.3 | Very high | 135 Ų | 135 | 79.9 Ų | 79.9 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 171.8 | -69.1 | 171.6 | -177.5 | -177.4 | 1.3 | 111.8 | D148 N149 R154 S155 T156 L165 E168 | D148-R152 WeakPolarHBondContact O-CG 3.36Å; D148-R152 PolarHBondContact O-N 3.37Å; N149-R152 PolarHBondContact O-N 2.98Å; R152-R154 VanDerWaalsContact C-N 3.32Å; R152-R154 PolarHBondContact O-N 2.88Å; R152-S155 PolarHBondContact O-N 2.88Å; R152-T156 PolarHBondContact O-N 2.77Å; R152-L165 HydrophobicContact CB-CD1 3.87Å; R152-L165 HydrophobicContact CB-CD2 3.9Å; R152-E168 IonicContact NH1-OE1 3.02Å; R152-E168 PolarHBondContact NH1-OE1 3.35Å; R152-E168 IonicContact NH1-OE2 3.8Å |
| 153 | T | 89 | Confident | 90.5 | Very high | 35 Ų | 35 | 87.8 Ų | 87.8 | 22% | 0.215 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.1 | -40.1 | -177.8 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | N149 F150 L165 | N149-T153 WeakPolarHBondContact O-CB 3.28Å; N149-T153 PolarHBondContact O-N 3.32Å; N149-T153 PolarHBondContact O-OG1 2.77Å; F150-T153 PolarHBondContact O-N 3.49Å; T153-L165 WeakPolarHBondContact OG1-CB 3.35Å |
| 154 | R | 88.2 | Confident | 90.6 | Very high | 182 Ų | 182 | 88.7 Ų | 88.7 | 69% | 0.687 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -71.1 | -28.4 | 174.8 | -71 | 178.6 | 67 | -168 | 4.3 | 113.7 | F150 N151 R152 | F150-R154 VanDerWaalsContact CE1-CD 3.42Å; F150-R154 HydrophobicContact CE1-CG 4.39Å; F150-R154 HydrophobicContact CZ-CG 4.34Å; F150-R154 WeakPolarHBondContact O-CG 3.45Å; F150-R154 PolarHBondContact O-N 3.26Å; N151-R154 PolarHBondContact O-N 2.7Å; R152-R154 VanDerWaalsContact C-N 3.32Å; R152-R154 PolarHBondContact O-N 2.88Å |
| 155 | S | 88.9 | Confident | 90.7 | Very high | 104 Ų | 104 | 85.1 Ų | 85.1 | 73% | 0.727 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -86.2 | -22.4 | -175.1 | -56.2 | 0 | 0 | 0 | 0 | 113.5 | N151 R152 | N151-S155 WeakPolarHBondContact O-CB 3.35Å; N151-S155 PolarHBondContact O-N 3.12Å; N151-S155 VanDerWaalsContact O-N 3.12Å; N151-S155 PolarHBondContact O-OG 3.49Å; R152-S155 PolarHBondContact O-N 2.88Å |
| 156 | T | 88.2 | Confident | 90.6 | Very high | 18 Ų | 18 | 86 Ų | 86 | 11% | 0.11 | 43% | 0.43 | C | S | . | . | trans | -84.2 | 139.4 | 180 | -179.3 | 0 | 0 | 0 | 0 | 113.5 | R152 D158 L161 R162 L165 | R152-T156 PolarHBondContact O-N 2.77Å; T156-D158 PolarHBondContact OG1-N 3.36Å; T156-L161 HydrophobicContact CG2-CG 4.32Å; T156-R162 HydrophobicContact CG2-CG 3.53Å; T156-R162 PolarHBondContact O-NE 2.87Å; T156-R162 VanDerWaalsContact O-NE 3.09Å; T156-R162 PolarHBondContact O-NH2 3.47Å; T156-L165 HydrophobicContact CG2-CD1 3.73Å | ||
| 157 | C | 84.9 | Confident | 90.7 | Very high | 112 Ų | 112 | 88 Ų | 88 | 76% | 0.757 | 44% | 0.441 | S | S | * | . | trans | -97.3 | -14.5 | 167.7 | -165.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 158 | D | 91.5 | Very high | 90.8 | Very high | 69 Ų | 69 | 87.7 Ų | 87.7 | 37% | 0.369 | 44% | 0.437 | S | S | . | . | trans | -77.9 | 122.3 | -176.7 | 167.8 | 30.1 | 0 | 0 | 0 | 111.3 | T156 Q160 L161 R162 | T156-D158 PolarHBondContact OG1-N 3.36Å; D158-Q160 VanDerWaalsContact C-N 3.31Å; D158-Q160 PolarHBondContact O-N 2.87Å; D158-Q160 PolarHBondContact OD1-N 3.3Å; D158-L161 HydrophobicContact CB-CB 4.04Å; D158-L161 PolarHBondContact O-N 3.12Å; D158-L161 WeakPolarHBondContact OD2-CB 3.4Å; D158-L161 PolarHBondContact OD2-N 2.86Å; D158-R162 WeakPolarHBondContact O-CG 3.42Å; D158-R162 PolarHBondContact O-N 3.45Å | ||
| 159 | P | 91.5 | Very high | 90.8 | Very high | 95 Ų | 95 | 86.8 Ų | 86.8 | 62% | 0.617 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.7 | -29.5 | 177.1 | 27.7 | -36.3 | 0 | 0 | 0 | 113.9 | R163 | P159-R163 PolarHBondContact O-N 3.17Å |
| 160 | Q | 93.2 | Very high | 90.7 | Very high | 149 Ų | 149 | 87.6 Ų | 87.6 | 70% | 0.696 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -69.4 | -50.8 | 177.1 | -67.8 | -171.1 | -21.7 | 0 | 0 | 110.1 | D158 R162 R163 C164 | D158-Q160 VanDerWaalsContact C-N 3.31Å; D158-Q160 PolarHBondContact O-N 2.87Å; D158-Q160 PolarHBondContact OD1-N 3.3Å; Q160-R162 VanDerWaalsContact C-N 3.31Å; Q160-R162 PolarHBondContact O-N 2.85Å; Q160-R163 WeakPolarHBondContact O-CB 3.5Å; Q160-R163 PolarHBondContact O-N 3.37Å; Q160-R163 VanDerWaalsContact O-N 3.15Å; Q160-C164 PolarHBondContact O-N 3.27Å; Q160-C164 PolarHBondContact O-SG 3.09Å |
| 161 | L | 92.6 | Very high | 90.7 | Very high | 76 Ų | 76 | 84.7 Ų | 84.7 | 40% | 0.398 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.3 | -38 | 174.6 | -177 | 55.7 | 0 | 0 | 0 | 112.5 | T156 D158 R163 C164 L165 | T156-L161 HydrophobicContact CG2-CG 4.32Å; D158-L161 HydrophobicContact CB-CB 4.04Å; D158-L161 PolarHBondContact O-N 3.12Å; D158-L161 WeakPolarHBondContact OD2-CB 3.4Å; D158-L161 PolarHBondContact OD2-N 2.86Å; L161-R163 PolarHBondContact O-N 3.45Å; L161-C164 PolarHBondContact O-N 3.4Å; L161-L165 HydrophobicContact CD1-CD1 4.23Å; L161-L165 HydrophobicContact CD1-CD2 4.46Å; L161-L165 HydrophobicContact CD1-CG 4.05Å; L161-L165 HydrophobicContact CG-CD1 3.97Å; L161-L165 HydrophobicContact CG-CG 4.28Å; L161-L165 WeakPolarHBondContact O-CB 3.32Å; L161-L165 VanDerWaalsContact O-CG 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 2.9Å |
| 162 | R | 91.6 | Very high | 90.7 | Very high | 108 Ų | 108 | 81.4 Ų | 81.4 | 41% | 0.408 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 173.6 | -77.2 | -178.8 | -174.3 | 162.7 | 4.3 | 112.5 | T156 D158 Q160 C164 L165 E166 | T156-R162 HydrophobicContact CG2-CG 3.53Å; T156-R162 PolarHBondContact O-NE 2.87Å; T156-R162 VanDerWaalsContact O-NE 3.09Å; T156-R162 PolarHBondContact O-NH2 3.47Å; D158-R162 WeakPolarHBondContact O-CG 3.42Å; D158-R162 PolarHBondContact O-N 3.45Å; Q160-R162 VanDerWaalsContact C-N 3.31Å; Q160-R162 PolarHBondContact O-N 2.85Å; R162-C164 PolarHBondContact O-N 2.96Å; R162-L165 PolarHBondContact O-N 2.87Å; R162-E166 WeakPolarHBondContact O-CG 3.27Å; R162-E166 PolarHBondContact O-N 3.45Å |
| 163 | R | 90.4 | Very high | 90.6 | Very high | 172 Ų | 172 | 75.2 Ų | 75.2 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.1 | -42.7 | 176 | -179 | 179.6 | 172.9 | 176.5 | -1.4 | 111.8 | P159 Q160 L161 L165 E166 D167 | P159-R163 PolarHBondContact O-N 3.17Å; Q160-R163 WeakPolarHBondContact O-CB 3.5Å; Q160-R163 PolarHBondContact O-N 3.37Å; Q160-R163 VanDerWaalsContact O-N 3.15Å; L161-R163 PolarHBondContact O-N 3.45Å; R163-L165 VanDerWaalsContact C-N 3.3Å; R163-L165 PolarHBondContact O-N 3.33Å; R163-E166 WeakPolarHBondContact O-CB 3.5Å; R163-E166 PolarHBondContact O-N 2.94Å; R163-D167 PolarHBondContact O-N 3.34Å |
| 164 | C | 91.6 | Very high | 90.7 | Very high | 80 Ų | 80 | 75.6 Ų | 75.6 | 54% | 0.541 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 175.2 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | Q160 L161 R162 D167 E168 | Q160-C164 PolarHBondContact O-N 3.27Å; Q160-C164 PolarHBondContact O-SG 3.09Å; L161-C164 PolarHBondContact O-N 3.4Å; R162-C164 PolarHBondContact O-N 2.96Å; C164-D167 PolarHBondContact O-N 3.34Å; C164-E168 WeakPolarHBondContact O-CB 3.26Å; C164-E168 PolarHBondContact O-N 2.91Å |
| 165 | L | 92.7 | Very high | 90.8 | Very high | 10 Ų | 10 | 70.9 Ų | 70.9 | 5% | 0.052 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -73.7 | -32.5 | 176.5 | -66.3 | 170 | 0 | 0 | 0 | 112.5 | N149 R152 T153 T156 L161 R162 R163 E168 R169 | N149-L165 PolarHBondContact ND2-O 3.39Å; R152-L165 HydrophobicContact CB-CD1 3.87Å; R152-L165 HydrophobicContact CB-CD2 3.9Å; T153-L165 WeakPolarHBondContact OG1-CB 3.35Å; T156-L165 HydrophobicContact CG2-CD1 3.73Å; L161-L165 HydrophobicContact CD1-CD1 4.23Å; L161-L165 HydrophobicContact CD1-CD2 4.46Å; L161-L165 HydrophobicContact CD1-CG 4.05Å; L161-L165 HydrophobicContact CG-CD1 3.97Å; L161-L165 HydrophobicContact CG-CG 4.28Å; L161-L165 WeakPolarHBondContact O-CB 3.32Å; L161-L165 VanDerWaalsContact O-CG 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.49Å; L161-L165 PolarHBondContact O-N 2.9Å; R162-L165 PolarHBondContact O-N 2.87Å; R163-L165 VanDerWaalsContact C-N 3.3Å; R163-L165 PolarHBondContact O-N 3.33Å; L165-E168 WeakPolarHBondContact CD2-OE2 3.38Å; L165-E168 PolarHBondContact O-N 3.13Å; L165-R169 WeakPolarHBondContact O-CB 3.11Å; L165-R169 PolarHBondContact O-N 2.79Å |
| 166 | E | 90.1 | Very high | 90.8 | Very high | 93 Ų | 93 | 66.7 Ų | 66.7 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 169.6 | -74.8 | 169.7 | -166.4 | 0 | 0 | 111.4 | R162 R163 R169 F170 | R162-E166 WeakPolarHBondContact O-CG 3.27Å; R162-E166 PolarHBondContact O-N 3.45Å; R163-E166 WeakPolarHBondContact O-CB 3.5Å; R163-E166 PolarHBondContact O-N 2.94Å; E166-R169 WeakPolarHBondContact O-CB 3.1Å; E166-R169 PolarHBondContact O-N 3.4Å; E166-F170 WeakPolarHBondContact O-CD2 3.31Å; E166-F170 VanDerWaalsContact O-CG 3.28Å; E166-F170 WeakPolarHBondContact O-CG 3.29Å; E166-F170 PolarHBondContact O-N 3.37Å; E166-F170 VanDerWaalsContact O-N 3.12Å |
| 167 | D | 90.6 | Very high | 90.8 | Very high | 63 Ų | 63 | 69.3 Ų | 69.3 | 34% | 0.337 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.7 | -33.8 | 176.4 | -70.4 | -36.1 | 0 | 0 | 0 | 111.7 | R163 C164 F170 A171 K271 | R163-D167 PolarHBondContact O-N 3.34Å; C164-D167 PolarHBondContact O-N 3.34Å; D167-F170 PolarHBondContact O-N 3.46Å; D167-A171 WeakPolarHBondContact O-CB 3.47Å; D167-A171 PolarHBondContact O-N 3.15Å; D167-K271 IonicContact OD1-NZ 2.61Å; D167-K271 PolarHBondContact OD1-NZ 3.44Å |
| 168 | E | 92.4 | Very high | 90.9 | Very high | 68 Ų | 68 | 67.8 Ų | 67.8 | 32% | 0.318 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 169.4 | -177.2 | -172.3 | -141 | 0 | 0 | 111.1 | N149 R152 C164 L165 F170 A171 I172 | N149-E168 PolarHBondContact ND2-OE2 2.73Å; R152-E168 IonicContact NH1-OE1 3.02Å; R152-E168 PolarHBondContact NH1-OE1 3.35Å; R152-E168 IonicContact NH1-OE2 3.8Å; C164-E168 WeakPolarHBondContact O-CB 3.26Å; C164-E168 PolarHBondContact O-N 2.91Å; L165-E168 WeakPolarHBondContact CD2-OE2 3.38Å; L165-E168 PolarHBondContact O-N 3.13Å; E168-F170 VanDerWaalsContact C-N 3.29Å; E168-F170 PolarHBondContact O-N 3.03Å; E168-A171 WeakPolarHBondContact O-CB 3.4Å; E168-A171 PolarHBondContact O-N 3.23Å; E168-A171 VanDerWaalsContact O-N 3.17Å; E168-I172 HydrophobicContact CG-CD1 4.09Å; E168-I172 WeakPolarHBondContact O-CG1 3.11Å; E168-I172 PolarHBondContact O-N 2.92Å |
| 169 | R | 91.7 | Very high | 90.8 | Very high | 59 Ų | 59 | 64.5 Ų | 64.5 | 22% | 0.223 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 175.2 | -167.7 | -179.6 | 59.7 | 146 | -5.2 | 111.3 | M146 N149 L165 E166 I172 I173 | M146-R169 HydrophobicContact CE-CG 3.94Å; N149-R169 WeakPolarHBondContact OD1-CB 3.4Å; L165-R169 WeakPolarHBondContact O-CB 3.11Å; L165-R169 PolarHBondContact O-N 2.79Å; E166-R169 WeakPolarHBondContact O-CB 3.1Å; E166-R169 PolarHBondContact O-N 3.4Å; R169-I172 PolarHBondContact O-N 3.15Å; R169-I173 HydrophobicContact CG-CD1 4.01Å; R169-I173 WeakPolarHBondContact O-CD1 3.32Å; R169-I173 VanDerWaalsContact O-CG1 3.3Å; R169-I173 WeakPolarHBondContact O-CG1 3.48Å; R169-I173 PolarHBondContact O-N 3.03Å |
| 170 | F | 90.7 | Very high | 90.8 | Very high | 19 Ų | 19 | 60 Ų | 60 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 175.8 | -60.3 | -27 | 0 | 0 | 0 | 112 | E166 D167 E168 I172 I173 L174 K271 F274 V275 | E166-F170 WeakPolarHBondContact O-CD2 3.31Å; E166-F170 VanDerWaalsContact O-CG 3.28Å; E166-F170 WeakPolarHBondContact O-CG 3.29Å; E166-F170 PolarHBondContact O-N 3.37Å; E166-F170 VanDerWaalsContact O-N 3.12Å; D167-F170 PolarHBondContact O-N 3.46Å; E168-F170 VanDerWaalsContact C-N 3.29Å; E168-F170 PolarHBondContact O-N 3.03Å; F170-I172 VanDerWaalsContact C-N 3.32Å; F170-I172 PolarHBondContact O-N 2.79Å; F170-I173 PolarHBondContact O-N 3.5Å; F170-L174 VanDerWaalsContact O-CB 3.29Å; F170-L174 WeakPolarHBondContact O-CB 3.47Å; F170-L174 VanDerWaalsContact O-CG 3.31Å; F170-L174 WeakPolarHBondContact O-CG 3.33Å; F170-L174 PolarHBondContact O-N 2.86Å; F170-K271 HydrophobicContact CE2-CD 4.03Å; F170-K271 HydrophobicContact CE2-CG 4.5Å; F170-F274 HydrophobicContact CB-CE1 4.24Å; F170-F274 HydrophobicContact CB-CZ 4.25Å; F170-F274 AromaticContact CD1-CD1 3.68Å; F170-F274 HydrophobicContact CD1-CD1 3.68Å; F170-F274 AromaticContact CD1-CE1 3.29Å; F170-F274 HydrophobicContact CD1-CE1 3.29Å; F170-F274 HydrophobicContact CD1-CZ 4.13Å; F170-F274 AromaticContact CE1-CD1 3.74Å; F170-F274 HydrophobicContact CE1-CD1 3.74Å; F170-F274 AromaticContact CE1-CE1 3.82Å; F170-F274 HydrophobicContact CE1-CE1 3.82Å; F170-F274 HydrophobicContact CG-CD1 4.41Å; F170-F274 AromaticContact CG-CE1 3.99Å; F170-F274 HydrophobicContact CG-CE1 3.99Å; F170-F274 HydrophobicContact CG-CZ 4.45Å; F170-V275 HydrophobicContact CE1-CG2 3.64Å; F170-V275 HydrophobicContact CZ-CG2 3.72Å |
| 171 | A | 92 | Very high | 90.6 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D167 E168 Q175 | D167-A171 WeakPolarHBondContact O-CB 3.47Å; D167-A171 PolarHBondContact O-N 3.15Å; E168-A171 WeakPolarHBondContact O-CB 3.4Å; E168-A171 PolarHBondContact O-N 3.23Å; E168-A171 VanDerWaalsContact O-N 3.17Å; A171-Q175 WeakPolarHBondContact O-CG 3.35Å; A171-Q175 PolarHBondContact O-N 3.14Å |
| 172 | I | 91.9 | Very high | 90.4 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -57.7 | 172.4 | -65.8 | 160.2 | 0 | 0 | 0 | 109.5 | L142 L145 M146 N149 E168 R169 F170 L174 Q175 | L142-I172 HydrophobicContact CD1-CG2 3.8Å; L142-I172 WeakPolarHBondContact CD1-O 3.33Å; L142-I172 HydrophobicContact CG-CG2 3.89Å; L145-I172 HydrophobicContact CB-CD1 4.04Å; L145-I172 HydrophobicContact CB-CG1 4.29Å; L145-I172 HydrophobicContact CB-CG2 4.05Å; M146-I172 HydrophobicContact CG-CB 4.45Å; M146-I172 HydrophobicContact CG-CG2 3.55Å; N149-I172 HydrophobicContact CB-CD1 3.96Å; E168-I172 HydrophobicContact CG-CD1 4.09Å; E168-I172 WeakPolarHBondContact O-CG1 3.11Å; E168-I172 PolarHBondContact O-N 2.92Å; R169-I172 PolarHBondContact O-N 3.15Å; F170-I172 VanDerWaalsContact C-N 3.32Å; F170-I172 PolarHBondContact O-N 2.79Å; I172-L174 PolarHBondContact O-N 3.45Å; I172-L174 VanDerWaalsContact O-N 3.16Å; I172-Q175 WeakPolarHBondContact O-CB 3.46Å; I172-Q175 PolarHBondContact O-N 3.21Å |
| 173 | I | 90 | Very high | 90.4 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.1 | -36.2 | -177.9 | -65.7 | 155.6 | 0 | 0 | 0 | 112.3 | M146 R169 F170 Q175 N176 F179 F274 A278 | M146-I173 HydrophobicContact CE-CD1 3.76Å; M146-I173 HydrophobicContact CE-CG1 3.77Å; M146-I173 HydrophobicContact SD-CD1 4.32Å; M146-I173 HydrophobicContact SD-CG1 3.64Å; R169-I173 HydrophobicContact CG-CD1 4.01Å; R169-I173 WeakPolarHBondContact O-CD1 3.32Å; R169-I173 VanDerWaalsContact O-CG1 3.3Å; R169-I173 WeakPolarHBondContact O-CG1 3.48Å; R169-I173 PolarHBondContact O-N 3.03Å; F170-I173 PolarHBondContact O-N 3.5Å; I173-Q175 VanDerWaalsContact C-N 3.29Å; I173-Q175 PolarHBondContact O-N 3.15Å; I173-N176 WeakPolarHBondContact O-CB 3.39Å; I173-N176 PolarHBondContact O-N 3.44Å; I173-N176 VanDerWaalsContact O-N 3.16Å; I173-F179 HydrophobicContact CG2-CB 4.48Å; I173-F179 HydrophobicContact CG2-CD1 3.37Å; I173-F179 HydrophobicContact CG2-CD2 4.11Å; I173-F179 HydrophobicContact CG2-CE1 3.47Å; I173-F179 VanDerWaalsContact CG2-CE1 3.47Å; I173-F179 HydrophobicContact CG2-CE2 4.2Å; I173-F179 HydrophobicContact CG2-CG 3.69Å; I173-F179 HydrophobicContact CG2-CZ 3.89Å; I173-F274 HydrophobicContact CB-CE1 4.42Å; I173-F274 HydrophobicContact CB-CZ 4.14Å; I173-F274 HydrophobicContact CD1-CE1 4.12Å; I173-F274 HydrophobicContact CG2-CE1 4.22Å; I173-F274 HydrophobicContact CG2-CZ 3.87Å; I173-A278 HydrophobicContact CD1-CB 3.72Å; I173-A278 HydrophobicContact CG2-CB 4.18Å |
| 174 | L | 91.1 | Very high | 90.2 | Very high | 42 Ų | 42 | 49.3 Ų | 49.3 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.3 | -13 | 177.7 | -77.2 | 171.1 | 0 | 0 | 0 | 114.7 | F170 I172 N176 V180 L183 L263 F274 | F170-L174 VanDerWaalsContact O-CB 3.29Å; F170-L174 WeakPolarHBondContact O-CB 3.47Å; F170-L174 VanDerWaalsContact O-CG 3.31Å; F170-L174 WeakPolarHBondContact O-CG 3.33Å; F170-L174 PolarHBondContact O-N 2.86Å; I172-L174 PolarHBondContact O-N 3.45Å; I172-L174 VanDerWaalsContact O-N 3.16Å; L174-N176 PolarHBondContact O-N 3.01Å; L174-V180 HydrophobicContact CD2-CG2 4.1Å; L174-L183 HydrophobicContact CD2-CD2 4.48Å; L174-L263 HydrophobicContact CD2-CD1 3.77Å; L174-F274 HydrophobicContact CD1-CE2 4.3Å; L174-F274 HydrophobicContact CD2-CE2 3.82Å; L174-F274 HydrophobicContact CD2-CZ 4.39Å; L174-F274 HydrophobicContact CG-CE2 3.89Å; L174-F274 HydrophobicContact CG-CZ 4.03Å |
| 175 | Q | 88.8 | Confident | 90.1 | Very high | 84 Ų | 84 | 49.5 Ų | 49.5 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -6.3 | 168.1 | -69.1 | 163.9 | 4.2 | 0 | 0 | 112.5 | P137 L142 A171 I172 I173 | P137-Q175 HydrophobicContact CG-CB 4.06Å; L142-Q175 HydrophobicContact CD1-CB 4.11Å; A171-Q175 WeakPolarHBondContact O-CG 3.35Å; A171-Q175 PolarHBondContact O-N 3.14Å; I172-Q175 WeakPolarHBondContact O-CB 3.46Å; I172-Q175 PolarHBondContact O-N 3.21Å; I173-Q175 VanDerWaalsContact C-N 3.29Å; I173-Q175 PolarHBondContact O-N 3.15Å |
| 176 | N | 88.5 | Confident | 90.1 | Very high | 16 Ų | 16 | 51 Ų | 51 | 9% | 0.086 | 25% | 0.25 | C | C | . | . | trans | -96.8 | 102.2 | 177.5 | -171.1 | -8.2 | 0 | 0 | 0 | 111.7 | L142 I173 L174 E178 F179 V180 F281 | L142-N176 HydrophobicContact CD2-CB 3.69Å; I173-N176 WeakPolarHBondContact O-CB 3.39Å; I173-N176 PolarHBondContact O-N 3.44Å; I173-N176 VanDerWaalsContact O-N 3.16Å; L174-N176 PolarHBondContact O-N 3.01Å; N176-E178 PolarHBondContact O-N 2.82Å; N176-E178 VanDerWaalsContact O-N 3.13Å; N176-E178 VanDerWaalsContact OD1-CB 3.25Å; N176-E178 WeakPolarHBondContact OD1-CB 3.23Å; N176-E178 WeakPolarHBondContact OD1-CG 3.48Å; N176-E178 PolarHBondContact OD1-N 3.09Å; N176-F179 HydrophobicContact CB-CB 4.09Å; N176-F179 WeakPolarHBondContact O-CA 3.41Å; N176-F179 WeakPolarHBondContact O-CB 3.42Å; N176-F179 PolarHBondContact O-N 3.39Å; N176-V180 PolarHBondContact O-N 3.04Å; N176-F281 WeakPolarHBondContact ND2-CE1 3.44Å; N176-F281 WeakPolarHBondContact ND2-CZ 3.31Å | ||
| 177 | E | 88.2 | Confident | 90.2 | Very high | 73 Ų | 73 | 50.1 Ų | 50.1 | 34% | 0.341 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.5 | -25.7 | 175.5 | -55.7 | -53.6 | 148.4 | 0 | 0 | 113.8 | L136 R181 | L136-E177 HydrophobicContact CD1-CG 3.94Å; E177-R181 WeakPolarHBondContact O-CB 3.4Å; E177-R181 VanDerWaalsContact O-CG 3.29Å; E177-R181 WeakPolarHBondContact O-CG 3.5Å; E177-R181 PolarHBondContact O-N 3.21Å; E177-R181 VanDerWaalsContact O-N 3.09Å; E177-R181 PolarHBondContact O-NE 3.43Å |
| 178 | E | 87.3 | Confident | 90.3 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.1 | -41.3 | 172.9 | -51.3 | -135.3 | 103.5 | 0 | 0 | 112 | N176 R181 E182 F281 H285 | N176-E178 PolarHBondContact O-N 2.82Å; N176-E178 VanDerWaalsContact O-N 3.13Å; N176-E178 VanDerWaalsContact OD1-CB 3.25Å; N176-E178 WeakPolarHBondContact OD1-CB 3.23Å; N176-E178 WeakPolarHBondContact OD1-CG 3.48Å; N176-E178 PolarHBondContact OD1-N 3.09Å; E178-R181 VanDerWaalsContact CG-NH2 3.3Å; E178-R181 IonicContact OE1-NH2 3.87Å; E178-R181 PolarHBondContact OE1-NH2 3.07Å; E178-E182 PolarHBondContact O-N 3.49Å; E178-F281 HydrophobicContact CB-CE2 3.98Å; E178-F281 HydrophobicContact CB-CZ 3.71Å; E178-H285 IonicContact OE2-CE1 3.42Å; E178-H285 PolarHBondContact OE2-CE1 3.14Å |
| 179 | F | 90.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.6 | -40.3 | 176.6 | 175.8 | -96.1 | 0 | 0 | 0 | 111.1 | I173 N176 R181 E182 L183 F274 L277 A278 F281 | I173-F179 HydrophobicContact CG2-CB 4.48Å; I173-F179 HydrophobicContact CG2-CD1 3.37Å; I173-F179 HydrophobicContact CG2-CD2 4.11Å; I173-F179 HydrophobicContact CG2-CE1 3.47Å; I173-F179 VanDerWaalsContact CG2-CE1 3.47Å; I173-F179 HydrophobicContact CG2-CE2 4.2Å; I173-F179 HydrophobicContact CG2-CG 3.69Å; I173-F179 HydrophobicContact CG2-CZ 3.89Å; N176-F179 HydrophobicContact CB-CB 4.09Å; N176-F179 WeakPolarHBondContact O-CA 3.41Å; N176-F179 WeakPolarHBondContact O-CB 3.42Å; N176-F179 PolarHBondContact O-N 3.39Å; F179-R181 VanDerWaalsContact C-N 3.3Å; F179-R181 PolarHBondContact O-N 3.32Å; F179-E182 PolarHBondContact O-N 3Å; F179-L183 HydrophobicContact CE1-CB 4.37Å; F179-L183 HydrophobicContact CE1-CD1 4.35Å; F179-L183 HydrophobicContact CE1-CD2 3.92Å; F179-L183 HydrophobicContact CE1-CG 4.45Å; F179-L183 HydrophobicContact CZ-CD1 4.07Å; F179-L183 HydrophobicContact CZ-CD2 4.45Å; F179-L183 WeakPolarHBondContact O-CB 3.19Å; F179-L183 PolarHBondContact O-N 3.49Å; F179-F274 HydrophobicContact CE1-CD2 4.07Å; F179-F274 HydrophobicContact CE1-CE1 4.35Å; F179-F274 AromaticContact CE1-CE2 3.47Å; F179-F274 HydrophobicContact CE1-CE2 3.47Å; F179-F274 VanDerWaalsContact CE1-CE2 3.47Å; F179-F274 AromaticContact CE1-CZ 3.62Å; F179-F274 HydrophobicContact CE1-CZ 3.62Å; F179-F274 HydrophobicContact CZ-CD2 4.2Å; F179-F274 HydrophobicContact CZ-CE1 4.36Å; F179-F274 AromaticContact CZ-CE2 3.99Å; F179-F274 HydrophobicContact CZ-CE2 3.99Å; F179-F274 HydrophobicContact CZ-CZ 4.05Å; F179-L277 HydrophobicContact CE2-CB 4Å; F179-L277 HydrophobicContact CZ-CB 4.3Å; F179-A278 HydrophobicContact CE2-CB 4.12Å; F179-A278 HydrophobicContact CZ-CB 4.2Å; F179-F281 HydrophobicContact CB-CD1 4.41Å; F179-F281 HydrophobicContact CB-CD2 4.17Å; F179-F281 HydrophobicContact CB-CE1 4.44Å; F179-F281 HydrophobicContact CB-CE2 4.16Å; F179-F281 HydrophobicContact CB-CG 4.32Å; F179-F281 HydrophobicContact CB-CZ 4.32Å; F179-F281 HydrophobicContact CD2-CB 3.8Å; F179-F281 HydrophobicContact CD2-CD1 4.39Å; F179-F281 AromaticContact CD2-CD2 3.95Å; F179-F281 HydrophobicContact CD2-CD2 3.95Å; F179-F281 AromaticContact CD2-CG 3.77Å; F179-F281 HydrophobicContact CD2-CG 3.77Å; F179-F281 HydrophobicContact CE2-CB 4.3Å |
| 180 | V | 90.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -39.7 | 175.6 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | L174 N176 R184 F259 | L174-V180 HydrophobicContact CD2-CG2 4.1Å; N176-V180 PolarHBondContact O-N 3.04Å; V180-R184 PolarHBondContact O-N 2.87Å; V180-F259 HydrophobicContact CG1-CD1 4.28Å; V180-F259 HydrophobicContact CG1-CE1 4.02Å |
| 181 | R | 89.3 | Confident | 90.3 | Very high | 141 Ų | 141 | 50.1 Ų | 50.1 | 53% | 0.532 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64 | -50.3 | 171.9 | -74.8 | -179.8 | -65.1 | 142.7 | -1.2 | 112.7 | E177 E178 F179 L183 R184 S185 | E177-R181 WeakPolarHBondContact O-CB 3.4Å; E177-R181 VanDerWaalsContact O-CG 3.29Å; E177-R181 WeakPolarHBondContact O-CG 3.5Å; E177-R181 PolarHBondContact O-N 3.21Å; E177-R181 VanDerWaalsContact O-N 3.09Å; E177-R181 PolarHBondContact O-NE 3.43Å; E178-R181 VanDerWaalsContact CG-NH2 3.3Å; E178-R181 IonicContact OE1-NH2 3.87Å; E178-R181 PolarHBondContact OE1-NH2 3.07Å; F179-R181 VanDerWaalsContact C-N 3.3Å; F179-R181 PolarHBondContact O-N 3.32Å; R181-L183 PolarHBondContact O-N 2.84Å; R181-R184 PolarHBondContact O-N 2.72Å; R181-R184 VanDerWaalsContact O-N 3.08Å; R181-S185 PolarHBondContact O-N 3.38Å; R181-S185 PolarHBondContact O-OG 3.14Å |
| 182 | E | 88.3 | Confident | 90.4 | Very high | 74 Ų | 74 | 48.4 Ų | 48.4 | 35% | 0.346 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.5 | -37.7 | 177.7 | -172.2 | 83.7 | -110.5 | 0 | 0 | 111.5 | E178 F179 R184 S185 D186 K284 | E178-E182 PolarHBondContact O-N 3.49Å; F179-E182 PolarHBondContact O-N 3Å; E182-R184 VanDerWaalsContact C-N 3.29Å; E182-R184 PolarHBondContact O-N 3Å; E182-S185 WeakPolarHBondContact CA-OG 3.46Å; E182-S185 PolarHBondContact O-N 2.98Å; E182-S185 PolarHBondContact O-OG 3.12Å; E182-D186 PolarHBondContact O-N 3.29Å; E182-K284 IonicContact OE2-NZ 2.86Å; E182-K284 PolarHBondContact OE2-NZ 3.32Å |
| 183 | L | 91.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.4 | -25.9 | 177.7 | -168.5 | 67.4 | 0 | 0 | 0 | 113.2 | L174 F179 R181 F189 F259 L263 F274 L277 | L174-L183 HydrophobicContact CD2-CD2 4.48Å; F179-L183 HydrophobicContact CE1-CB 4.37Å; F179-L183 HydrophobicContact CE1-CD1 4.35Å; F179-L183 HydrophobicContact CE1-CD2 3.92Å; F179-L183 HydrophobicContact CE1-CG 4.45Å; F179-L183 HydrophobicContact CZ-CD1 4.07Å; F179-L183 HydrophobicContact CZ-CD2 4.45Å; F179-L183 WeakPolarHBondContact O-CB 3.19Å; F179-L183 PolarHBondContact O-N 3.49Å; R181-L183 PolarHBondContact O-N 2.84Å; L183-F189 HydrophobicContact CD1-CB 4.44Å; L183-F189 HydrophobicContact CD1-CD1 3.53Å; L183-F189 HydrophobicContact CD1-CD2 3.75Å; L183-F189 HydrophobicContact CD1-CE1 3.57Å; L183-F189 HydrophobicContact CD1-CE2 3.81Å; L183-F189 HydrophobicContact CD1-CG 3.61Å; L183-F189 HydrophobicContact CD1-CZ 3.73Å; L183-F189 HydrophobicContact CD2-CE1 3.82Å; L183-F189 HydrophobicContact CD2-CZ 3.91Å; L183-F189 HydrophobicContact CG-CD1 3.66Å; L183-F189 HydrophobicContact CG-CE1 3.42Å; L183-F189 VanDerWaalsContact CG-CE1 3.42Å; L183-F189 HydrophobicContact CG-CE2 4.48Å; L183-F189 HydrophobicContact CG-CG 4.27Å; L183-F189 HydrophobicContact CG-CZ 3.89Å; L183-F189 VanDerWaalsContact O-CD1 3.3Å; L183-F189 WeakPolarHBondContact O-CD1 3.48Å; L183-F259 HydrophobicContact CB-CZ 4.24Å; L183-F259 HydrophobicContact CD2-CE1 4.22Å; L183-F259 HydrophobicContact CD2-CZ 3.9Å; L183-F259 HydrophobicContact CG-CZ 3.93Å; L183-L263 HydrophobicContact CD2-CD1 4.28Å; L183-L263 HydrophobicContact CD2-CD2 3.77Å; L183-F274 HydrophobicContact CD1-CD2 4.3Å; L183-F274 HydrophobicContact CD2-CD2 3.93Å; L183-F274 HydrophobicContact CD2-CE2 4.08Å; L183-L277 HydrophobicContact CD1-CD1 3.57Å |
| 184 | R | 87.8 | Confident | 90.5 | Very high | 65 Ų | 65 | 52.3 Ų | 52.3 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -80.1 | -32.1 | 172.6 | -72.7 | -176.5 | -171.3 | 133.9 | 29.7 | 113.6 | V180 R181 E182 D186 E256 F259 | V180-R184 PolarHBondContact O-N 2.87Å; R181-R184 PolarHBondContact O-N 2.72Å; R181-R184 VanDerWaalsContact O-N 3.08Å; E182-R184 VanDerWaalsContact C-N 3.29Å; E182-R184 PolarHBondContact O-N 3Å; R184-D186 VanDerWaalsContact C-N 3.33Å; R184-E256 IonicContact CZ-OE1 2.88Å; R184-E256 IonicContact CZ-OE2 2.68Å; R184-E256 IonicContact NH1-OE1 3.63Å; R184-E256 IonicContact NH1-OE2 3.66Å; R184-E256 PolarHBondContact NH1-OE2 3.15Å; R184-E256 IonicContact NH2-OE1 2.98Å; R184-E256 PolarHBondContact NH2-OE1 2.99Å; R184-E256 IonicContact NH2-OE2 2.67Å; R184-E256 PolarHBondContact NH2-OE2 3.07Å; R184-F259 HydrophobicContact CG-CD1 4.08Å; R184-F259 HydrophobicContact CG-CD2 3.91Å; R184-F259 HydrophobicContact CG-CE1 3.78Å; R184-F259 HydrophobicContact CG-CE2 3.66Å; R184-F259 HydrophobicContact CG-CG 4.1Å; R184-F259 HydrophobicContact CG-CZ 3.56Å; R184-F259 VanDerWaalsContact NE-CD1 3.32Å; R184-F259 VanDerWaalsContact NH2-CD1 3.28Å |
| 185 | S | 88.3 | Confident | 90.6 | Very high | 84 Ų | 84 | 55.8 Ų | 55.8 | 59% | 0.587 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -76 | -20.2 | 177.7 | 39.9 | 0 | 0 | 0 | 0 | 113.4 | R181 E182 A187 | R181-S185 PolarHBondContact O-N 3.38Å; R181-S185 PolarHBondContact O-OG 3.14Å; E182-S185 WeakPolarHBondContact CA-OG 3.46Å; E182-S185 PolarHBondContact O-N 2.98Å; E182-S185 PolarHBondContact O-OG 3.12Å; S185-A187 PolarHBondContact O-N 2.95Å |
| 186 | D | 92.4 | Very high | 90.7 | Very high | 41 Ų | 41 | 53 Ų | 53 | 22% | 0.219 | 27% | 0.274 | C | S | . | . | trans | -75.9 | 107.4 | 179.1 | -170.6 | -91.1 | 0 | 0 | 0 | 112.3 | E182 R184 D188 F189 M190 L277 | E182-D186 PolarHBondContact O-N 3.29Å; R184-D186 VanDerWaalsContact C-N 3.33Å; D186-D188 PolarHBondContact O-N 3.46Å; D186-D188 WeakPolarHBondContact OD1-CB 3.14Å; D186-D188 PolarHBondContact OD1-N 2.81Å; D186-F189 HydrophobicContact CB-CB 4.1Å; D186-F189 PolarHBondContact O-N 2.98Å; D186-F189 WeakPolarHBondContact OD1-CB 3.39Å; D186-F189 PolarHBondContact OD1-N 3.34Å; D186-M190 WeakPolarHBondContact O-CG 3.25Å; D186-M190 PolarHBondContact O-N 3.4Å; D186-L277 HydrophobicContact CB-CD1 3.8Å; D186-L277 HydrophobicContact CB-CD2 4.22Å | ||
| 187 | A | 91.8 | Very high | 90.9 | Very high | 76 Ų | 76 | 54.3 Ų | 54.3 | 63% | 0.628 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.3 | -34.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S185 M190 S191 | S185-A187 PolarHBondContact O-N 2.95Å; A187-M190 PolarHBondContact O-N 3.5Å; A187-S191 WeakPolarHBondContact O-CB 3.31Å; A187-S191 PolarHBondContact O-N 3.08Å |
| 188 | D | 92.6 | Very high | 90.9 | Very high | 94 Ų | 94 | 55.9 Ų | 55.9 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 177.1 | -92 | 8.4 | 0 | 0 | 0 | 110.9 | D186 A192 R273 | D186-D188 PolarHBondContact O-N 3.46Å; D186-D188 WeakPolarHBondContact OD1-CB 3.14Å; D186-D188 PolarHBondContact OD1-N 2.81Å; D188-A192 WeakPolarHBondContact O-CB 3.31Å; D188-A192 PolarHBondContact O-N 3.33Å; D188-R273 IonicContact OD2-CZ 3.9Å; D188-R273 IonicContact OD2-NH1 3.73Å; D188-R273 PolarHBondContact OD2-NH1 2.88Å |
| 189 | F | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.4 | -47.6 | 176.5 | 178.7 | -99.1 | 0 | 0 | 0 | 111.7 | L183 D186 S191 A192 L193 F259 L263 S270 R273 F274 L277 | L183-F189 HydrophobicContact CD1-CB 4.44Å; L183-F189 HydrophobicContact CD1-CD1 3.53Å; L183-F189 HydrophobicContact CD1-CD2 3.75Å; L183-F189 HydrophobicContact CD1-CE1 3.57Å; L183-F189 HydrophobicContact CD1-CE2 3.81Å; L183-F189 HydrophobicContact CD1-CG 3.61Å; L183-F189 HydrophobicContact CD1-CZ 3.73Å; L183-F189 HydrophobicContact CD2-CE1 3.82Å; L183-F189 HydrophobicContact CD2-CZ 3.91Å; L183-F189 HydrophobicContact CG-CD1 3.66Å; L183-F189 HydrophobicContact CG-CE1 3.42Å; L183-F189 VanDerWaalsContact CG-CE1 3.42Å; L183-F189 HydrophobicContact CG-CE2 4.48Å; L183-F189 HydrophobicContact CG-CG 4.27Å; L183-F189 HydrophobicContact CG-CZ 3.89Å; L183-F189 VanDerWaalsContact O-CD1 3.3Å; L183-F189 WeakPolarHBondContact O-CD1 3.48Å; D186-F189 HydrophobicContact CB-CB 4.1Å; D186-F189 PolarHBondContact O-N 2.98Å; D186-F189 WeakPolarHBondContact OD1-CB 3.39Å; D186-F189 PolarHBondContact OD1-N 3.34Å; F189-S191 VanDerWaalsContact C-N 3.33Å; F189-S191 PolarHBondContact O-N 3.5Å; F189-A192 PolarHBondContact O-N 2.98Å; F189-L193 HydrophobicContact CD1-CD2 4.42Å; F189-L193 HydrophobicContact CE1-CB 4.36Å; F189-L193 HydrophobicContact CE1-CD2 3.54Å; F189-L193 HydrophobicContact CE1-CG 4.5Å; F189-L193 HydrophobicContact CZ-CB 4.43Å; F189-L193 HydrophobicContact CZ-CD2 3.82Å; F189-L193 HydrophobicContact CZ-CG 4.49Å; F189-L193 VanDerWaalsContact O-CB 3.24Å; F189-L193 WeakPolarHBondContact O-CB 3.16Å; F189-L193 PolarHBondContact O-N 3.43Å; F189-F259 HydrophobicContact CE1-CE2 4.24Å; F189-F259 HydrophobicContact CE1-CZ 4.17Å; F189-L263 HydrophobicContact CE1-CD2 3.75Å; F189-L263 HydrophobicContact CZ-CD2 3.48Å; F189-L263 VanDerWaalsContact CZ-CD2 3.48Å; F189-S270 WeakPolarHBondContact CE2-O 3.16Å; F189-S270 WeakPolarHBondContact CE2-OG 3.44Å; F189-R273 HydrophobicContact CB-CB 4.42Å; F189-R273 HydrophobicContact CD2-CB 3.85Å; F189-F274 HydrophobicContact CE2-CB 4Å; F189-L277 HydrophobicContact CB-CD1 3.87Å; F189-L277 HydrophobicContact CD2-CD1 4.49Å; F189-L277 HydrophobicContact CG-CD1 4.25Å |
| 190 | M | 91.7 | Very high | 90.6 | Very high | 65 Ų | 65 | 61.6 Ų | 61.6 | 32% | 0.32 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 179.5 | -71.7 | -65.4 | -80.7 | 0 | 0 | 112.2 | D186 A187 Q194 F259 | D186-M190 WeakPolarHBondContact O-CG 3.25Å; D186-M190 PolarHBondContact O-N 3.4Å; A187-M190 PolarHBondContact O-N 3.5Å; M190-Q194 WeakPolarHBondContact O-CB 3.46Å; M190-Q194 PolarHBondContact O-N 3.05Å; M190-F259 HydrophobicContact SD-CD2 4.25Å; M190-F259 HydrophobicContact SD-CE2 3.69Å |
| 191 | S | 90.6 | Very high | 90.2 | Very high | 50 Ų | 50 | 64.1 Ų | 64.1 | 35% | 0.35 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 173.4 | -171.4 | 0 | 0 | 0 | 0 | 112.2 | A187 F189 Q194 K195 | A187-S191 WeakPolarHBondContact O-CB 3.31Å; A187-S191 PolarHBondContact O-N 3.08Å; F189-S191 VanDerWaalsContact C-N 3.33Å; F189-S191 PolarHBondContact O-N 3.5Å; S191-Q194 PolarHBondContact O-N 2.86Å; S191-K195 WeakPolarHBondContact O-CG 3.21Å; S191-K195 PolarHBondContact O-N 3.23Å; S191-K195 VanDerWaalsContact O-N 3.1Å; S191-K195 PolarHBondContact OG-NZ 3.44Å |
| 192 | A | 93 | Very high | 89.7 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 12% | 0.116 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D188 F189 K195 D196 R273 | D188-A192 WeakPolarHBondContact O-CB 3.31Å; D188-A192 PolarHBondContact O-N 3.33Å; F189-A192 PolarHBondContact O-N 2.98Å; A192-K195 PolarHBondContact O-N 3.36Å; A192-D196 WeakPolarHBondContact O-CB 3.47Å; A192-D196 PolarHBondContact O-N 3.02Å; A192-R273 HydrophobicContact CB-CG 4.25Å |
| 193 | L | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.9 | -32.8 | 179.4 | -174.7 | 63 | 0 | 0 | 0 | 112.5 | F189 N197 F259 K262 L263 M266 S270 | F189-L193 HydrophobicContact CD1-CD2 4.42Å; F189-L193 HydrophobicContact CE1-CB 4.36Å; F189-L193 HydrophobicContact CE1-CD2 3.54Å; F189-L193 HydrophobicContact CE1-CG 4.5Å; F189-L193 HydrophobicContact CZ-CB 4.43Å; F189-L193 HydrophobicContact CZ-CD2 3.82Å; F189-L193 HydrophobicContact CZ-CG 4.49Å; F189-L193 VanDerWaalsContact O-CB 3.24Å; F189-L193 WeakPolarHBondContact O-CB 3.16Å; F189-L193 PolarHBondContact O-N 3.43Å; L193-N197 WeakPolarHBondContact O-CB 3.33Å; L193-N197 PolarHBondContact O-N 2.88Å; L193-N197 VanDerWaalsContact O-N 3.15Å; L193-F259 HydrophobicContact CD2-CE2 4.3Å; L193-K262 HydrophobicContact CD1-CG 4.21Å; L193-K262 HydrophobicContact CD2-CD 4.35Å; L193-K262 HydrophobicContact CD2-CG 3.63Å; L193-K262 HydrophobicContact CG-CD 4.3Å; L193-K262 HydrophobicContact CG-CG 3.66Å; L193-L263 HydrophobicContact CD2-CD2 3.94Å; L193-M266 HydrophobicContact CD1-CB 3.55Å; L193-S270 WeakPolarHBondContact CD1-OG 3.31Å |
| 194 | Q | 91.6 | Very high | 88.5 | Confident | 100 Ų | 100 | 73.6 Ų | 73.6 | 47% | 0.467 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.8 | -50.6 | 170.1 | 176.3 | 167 | -16 | 0 | 0 | 111.5 | M190 S191 D196 N197 E198 | M190-Q194 WeakPolarHBondContact O-CB 3.46Å; M190-Q194 PolarHBondContact O-N 3.05Å; S191-Q194 PolarHBondContact O-N 2.86Å; Q194-D196 VanDerWaalsContact C-N 3.32Å; Q194-D196 PolarHBondContact O-N 2.91Å; Q194-N197 PolarHBondContact O-N 3.15Å; Q194-N197 VanDerWaalsContact O-N 3.15Å; Q194-E198 HydrophobicContact CG-CG 4.38Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.42Å; Q194-E198 PolarHBondContact NE2-OE1 3.05Å; Q194-E198 WeakPolarHBondContact O-CG 3.49Å; Q194-E198 PolarHBondContact O-N 3.23Å |
| 195 | K | 92.1 | Very high | 87.8 | Confident | 114 Ų | 114 | 74.9 Ų | 74.9 | 50% | 0.496 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 178.8 | -71.3 | 165.2 | 179.5 | 164.3 | 0 | 112.7 | S191 A192 R199 | S191-K195 WeakPolarHBondContact O-CG 3.21Å; S191-K195 PolarHBondContact O-N 3.23Å; S191-K195 VanDerWaalsContact O-N 3.1Å; S191-K195 PolarHBondContact OG-NZ 3.44Å; A192-K195 PolarHBondContact O-N 3.36Å; K195-R199 WeakPolarHBondContact O-CD 3.27Å; K195-R199 VanDerWaalsContact O-CG 3.25Å; K195-R199 WeakPolarHBondContact O-CG 3.19Å; K195-R199 PolarHBondContact O-N 3.43Å; K195-R199 VanDerWaalsContact O-N 3.14Å |
| 196 | D | 92.5 | Very high | 87 | Confident | 26 Ų | 26 | 75.5 Ų | 75.5 | 14% | 0.139 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 176.9 | -76.9 | -16.1 | 0 | 0 | 0 | 111.5 | A192 Q194 G200 G267 S270 | A192-D196 WeakPolarHBondContact O-CB 3.47Å; A192-D196 PolarHBondContact O-N 3.02Å; Q194-D196 VanDerWaalsContact C-N 3.32Å; Q194-D196 PolarHBondContact O-N 2.91Å; D196-G200 PolarHBondContact O-N 2.97Å; D196-G267 VanDerWaalsContact OD2-C 3.24Å; D196-G267 WeakPolarHBondContact OD2-CA 3.31Å; D196-G267 PolarHBondContact OD2-N 2.91Å; D196-G267 VanDerWaalsContact OD2-N 3.13Å; D196-S270 WeakPolarHBondContact OD2-CB 3.44Å; D196-S270 PolarHBondContact OD2-N 3.02Å |
| 197 | N | 91.3 | Very high | 85.7 | Confident | 44 Ų | 44 | 83.1 Ų | 83.1 | 24% | 0.235 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68.9 | -39.6 | 175.3 | -88.2 | 22.2 | 0 | 0 | 0 | 113.5 | L193 Q194 R199 G200 A201 K262 | L193-N197 WeakPolarHBondContact O-CB 3.33Å; L193-N197 PolarHBondContact O-N 2.88Å; L193-N197 VanDerWaalsContact O-N 3.15Å; Q194-N197 PolarHBondContact O-N 3.15Å; Q194-N197 VanDerWaalsContact O-N 3.15Å; N197-R199 VanDerWaalsContact C-N 3.32Å; N197-R199 PolarHBondContact O-N 3.22Å; N197-G200 PolarHBondContact O-N 3.37Å; N197-A201 VanDerWaalsContact O-CB 3.31Å; N197-A201 WeakPolarHBondContact O-CB 3.1Å; N197-A201 PolarHBondContact O-N 3.12Å; N197-K262 VanDerWaalsContact ND2-CG 3.33Å; N197-K262 WeakPolarHBondContact ND2-CG 3.48Å |
| 198 | E | 88.1 | Confident | 84.2 | Confident | 106 Ų | 106 | 82.6 Ų | 82.6 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 176.3 | -72.9 | 164.5 | 179.2 | 0 | 0 | 111.1 | Q194 A201 K202 | Q194-E198 HydrophobicContact CG-CG 4.38Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.42Å; Q194-E198 PolarHBondContact NE2-OE1 3.05Å; Q194-E198 WeakPolarHBondContact O-CG 3.49Å; Q194-E198 PolarHBondContact O-N 3.23Å; E198-A201 PolarHBondContact O-N 2.99Å; E198-K202 PolarHBondContact O-N 3.21Å; E198-K202 VanDerWaalsContact O-N 3.08Å |
| 199 | R | 87.8 | Confident | 82.6 | Confident | 173 Ų | 173 | 83.1 Ų | 83.1 | 65% | 0.653 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.6 | -49.6 | 172.5 | -71.2 | 168.2 | -178.5 | -86.7 | -2 | 111.7 | K195 N197 A201 K202 E203 | K195-R199 WeakPolarHBondContact O-CD 3.27Å; K195-R199 VanDerWaalsContact O-CG 3.25Å; K195-R199 WeakPolarHBondContact O-CG 3.19Å; K195-R199 PolarHBondContact O-N 3.43Å; K195-R199 VanDerWaalsContact O-N 3.14Å; N197-R199 VanDerWaalsContact C-N 3.32Å; N197-R199 PolarHBondContact O-N 3.22Å; R199-A201 VanDerWaalsContact C-N 3.29Å; R199-A201 PolarHBondContact O-N 3.37Å; R199-K202 PolarHBondContact O-N 3.31Å; R199-E203 PolarHBondContact O-N 2.93Å |
| 200 | G | 83.9 | Confident | 80.7 | Confident | 27 Ų | 27 | 88.7 Ų | 88.7 | 28% | 0.278 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.6 | -31.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D196 N197 R204 | D196-G200 PolarHBondContact O-N 2.97Å; N197-G200 PolarHBondContact O-N 3.37Å; G200-R204 WeakPolarHBondContact O-CB 3.4Å; G200-R204 WeakPolarHBondContact O-CG 3.27Å; G200-R204 PolarHBondContact O-N 2.99Å; G200-R204 VanDerWaalsContact O-N 3.14Å |
| 201 | A | 81.6 | Confident | 78.7 | Confident | 52 Ų | 52 | 93.1 Ų | 93.1 | 43% | 0.43 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N197 E198 R199 R204 T205 | N197-A201 VanDerWaalsContact O-CB 3.31Å; N197-A201 WeakPolarHBondContact O-CB 3.1Å; N197-A201 PolarHBondContact O-N 3.12Å; E198-A201 PolarHBondContact O-N 2.99Å; R199-A201 VanDerWaalsContact C-N 3.29Å; R199-A201 PolarHBondContact O-N 3.37Å; A201-R204 PolarHBondContact O-N 3.25Å; A201-T205 PolarHBondContact O-N 3.13Å; A201-T205 PolarHBondContact O-OG1 3.14Å; A201-T205 VanDerWaalsContact O-OG1 3.13Å |
| 202 | K | 80.4 | Confident | 76.3 | Confident | 145 Ų | 145 | 96.8 Ų | 96.8 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.8 | -49.6 | 176.3 | -171.1 | 173.3 | 179.8 | 178.1 | 0 | 111.8 | E198 R199 R204 T205 D206 | E198-K202 PolarHBondContact O-N 3.21Å; E198-K202 VanDerWaalsContact O-N 3.08Å; R199-K202 PolarHBondContact O-N 3.31Å; K202-R204 VanDerWaalsContact C-N 3.26Å; K202-R204 PolarHBondContact O-N 3.29Å; K202-T205 PolarHBondContact O-N 3.42Å; K202-T205 VanDerWaalsContact O-N 3.13Å; K202-D206 VanDerWaalsContact O-CG 3.3Å; K202-D206 PolarHBondContact O-N 3.26Å |
| 203 | E | 77.5 | Confident | 74.2 | Confident | 125 Ų | 125 | 104.2 Ų | 104.2 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.6 | -32.3 | 177 | -71 | -179.8 | -163.5 | 0 | 0 | 113.5 | R199 R207 | R199-E203 PolarHBondContact O-N 2.93Å; E203-R207 PolarHBondContact O-N 3.22Å |
| 204 | R | 75.6 | Confident | 72.3 | Confident | 145 Ų | 145 | 110.1 Ų | 110.1 | 55% | 0.547 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.3 | -43.6 | 174.1 | -77 | 172.9 | -172.8 | -159.3 | 1.8 | 111.7 | G200 A201 K202 R207 A208 H265 | G200-R204 WeakPolarHBondContact O-CB 3.4Å; G200-R204 WeakPolarHBondContact O-CG 3.27Å; G200-R204 PolarHBondContact O-N 2.99Å; G200-R204 VanDerWaalsContact O-N 3.14Å; A201-R204 PolarHBondContact O-N 3.25Å; K202-R204 VanDerWaalsContact C-N 3.26Å; K202-R204 PolarHBondContact O-N 3.29Å; R204-R207 PolarHBondContact O-N 3.27Å; R204-A208 WeakPolarHBondContact O-CB 3.28Å; R204-A208 PolarHBondContact O-N 2.88Å; R204-H265 PolarHBondContact NH2-CD2 2.91Å; R204-H265 PolarHBondContact NH2-CE1 2.83Å; R204-H265 VanDerWaalsContact NH2-CE1 3.31Å; R204-H265 PolarHBondContact NH2-NE2 3.17Å |
| 205 | T | 74.1 | Confident | 70 | Confident | 92 Ų | 92 | 111.5 Ų | 111.5 | 56% | 0.564 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.7 | -44.4 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | A201 K202 R207 A208 S209 | A201-T205 PolarHBondContact O-N 3.13Å; A201-T205 PolarHBondContact O-OG1 3.14Å; A201-T205 VanDerWaalsContact O-OG1 3.13Å; K202-T205 PolarHBondContact O-N 3.42Å; K202-T205 VanDerWaalsContact O-N 3.13Å; T205-R207 VanDerWaalsContact C-N 3.29Å; T205-R207 PolarHBondContact O-N 2.92Å; T205-A208 PolarHBondContact O-N 2.94Å; T205-A208 VanDerWaalsContact O-N 3.11Å; T205-S209 WeakPolarHBondContact O-CB 3.39Å; T205-S209 PolarHBondContact O-N 3.13Å |
| 206 | D | 72.1 | Confident | 67.9 | Low | 96 Ų | 96 | 114 Ų | 114 | 51% | 0.513 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.8 | -38.1 | 178.5 | -66.2 | -25.1 | 0 | 0 | 0 | 111.4 | K202 | K202-D206 VanDerWaalsContact O-CG 3.3Å; K202-D206 PolarHBondContact O-N 3.26Å |
| 207 | R | 64.5 | Low | 65.7 | Low | 201 Ų | 201 | 117.7 Ų | 117.7 | 76% | 0.758 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.1 | -33.3 | 172.4 | -88.6 | -172.2 | 163.6 | 121.7 | -2.6 | 114.5 | E203 R204 T205 S209 | E203-R207 PolarHBondContact O-N 3.22Å; R204-R207 PolarHBondContact O-N 3.27Å; T205-R207 VanDerWaalsContact C-N 3.29Å; T205-R207 PolarHBondContact O-N 2.92Å; R207-S209 VanDerWaalsContact C-N 3.35Å |
| 208 | A | 60.9 | Low | 63.7 | Low | 65 Ų | 65 | 120.7 Ų | 120.7 | 54% | 0.537 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -70.8 | -33 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R204 T205 T210 Q211 | R204-A208 WeakPolarHBondContact O-CB 3.28Å; R204-A208 PolarHBondContact O-N 2.88Å; T205-A208 PolarHBondContact O-N 2.94Å; T205-A208 VanDerWaalsContact O-N 3.11Å; A208-T210 PolarHBondContact O-N 3.48Å; A208-T210 VanDerWaalsContact O-N 3.15Å; A208-Q211 PolarHBondContact O-N 2.89Å |
| 209 | S | 59 | Low | 61.9 | Low | 106 Ų | 106 | 121.4 Ų | 121.4 | 74% | 0.741 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -12.6 | 179.5 | -161.3 | 0 | 0 | 0 | 0 | 114.2 | T205 R207 | T205-S209 WeakPolarHBondContact O-CB 3.39Å; T205-S209 PolarHBondContact O-N 3.13Å; R207-S209 VanDerWaalsContact C-N 3.35Å |
| 210 | T | 53.2 | Low | 59.9 | Low | 116 Ų | 116 | 120.1 Ų | 120.1 | 71% | 0.712 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 9.7 | 177.5 | -35 | 0 | 0 | 0 | 0 | 113.6 | A208 | A208-T210 PolarHBondContact O-N 3.48Å; A208-T210 VanDerWaalsContact O-N 3.15Å |
| 211 | Q | 49.8 | Very low | 58.1 | Low | 159 Ų | 159 | 123.1 Ų | 123.1 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -104.2 | 117.6 | 176.4 | -65.3 | -118.5 | -32.5 | 0 | 0 | 111.2 | A208 M213 | A208-Q211 PolarHBondContact O-N 2.89Å; Q211-M213 PolarHBondContact O-N 2.94Å |
| 212 | P | 40.8 | Very low | 56.1 | Low | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | -73.9 | 128.3 | 178.3 | 29.3 | -33 | 0 | 0 | 0 | 111.2 | ||||
| 213 | M | 48.1 | Very low | 54.7 | Low | 171 Ų | 171 | 127.9 Ų | 127.9 | 84% | 0.842 | 73% | 0.728 | S | S | * | * | trans | -72.1 | 131.9 | 179.5 | -61.5 | -77.7 | -89.5 | 0 | 0 | 111.1 | Q211 V215 | Q211-M213 PolarHBondContact O-N 2.94Å; M213-V215 PolarHBondContact O-N 3.11Å | ||
| 214 | P | 53.9 | Low | 52.9 | Low | 123 Ų | 123 | 125.3 Ų | 125.3 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | trans | -75.9 | 109.3 | 166.1 | 30.1 | -30.7 | 0 | 0 | 0 | 109.6 | ||||
| 215 | V | 42.8 | Very low | 51.9 | Low | 130 Ų | 130 | 124.6 Ų | 124.6 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | trans | -67.1 | 132.2 | 165.3 | -71.1 | 0 | 0 | 0 | 0 | 109.4 | M213 | M213-V215 PolarHBondContact O-N 3.11Š| ||
| 216 | N | 47.9 | Very low | 50.6 | Low | 165 Ų | 165 | 129 Ų | 129 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | trans | -145.1 | 112.1 | 161.5 | -118.3 | 0.2 | 0 | 0 | 0 | 111.7 | ||||
| 217 | S | 46.8 | Very low | 49.6 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -58.2 | 137.7 | 179.6 | -39.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 218 | S | 48.4 | Very low | 49.2 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | 161 | 141.5 | 95.6 | -85.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 219 | P | 50.4 | Low | 48.1 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -90.6 | 152.3 | 173.4 | 36.5 | -33 | 0 | 0 | 0 | 111.9 | ||||
| 220 | T | 45.7 | Very low | 47.4 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -148.7 | 136.9 | 162.9 | -10.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 221 | A | 45.7 | Very low | 46.9 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | trans | -48.5 | 164.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 222 | D | 41.1 | Very low | 46.2 | Very low | 144 Ų | 144 | 125.3 Ų | 125.3 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | 175.9 | 172.4 | 55.5 | -167.4 | 11.2 | 0 | 0 | 0 | 111.1 | |||||
| 223 | I | 49.8 | Very low | 46.3 | Very low | 154 Ų | 154 | 125.1 Ų | 125.1 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | 72.9 | 110.9 | 162.1 | -43.4 | -175.3 | 0 | 0 | 0 | 118.9 | ||||
| 224 | G | 40.5 | Very low | 46 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | 128.5 | 84 | 131 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 225 | P | 54.4 | Low | 45.7 | Very low | 129 Ų | 129 | 126 Ų | 126 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -114.4 | 116.8 | 166.9 | 34.9 | -21.8 | 0 | 0 | 0 | 112.8 | ||||
| 226 | E | 46.7 | Very low | 45.7 | Very low | 185 Ų | 185 | 127.5 Ų | 127.5 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -144.2 | 105.3 | 163.9 | 58.6 | -170.8 | 138.5 | 0 | 0 | 115.2 | ||||
| 227 | S | 52.3 | Low | 45.9 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | 67 | 134.7 | 126.8 | -58.5 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 228 | P | 54.5 | Low | 45.9 | Very low | 130 Ų | 130 | 124 Ų | 124 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | trans | -102.5 | 150.2 | 178.1 | 39.3 | -33.8 | 0 | 0 | 0 | 114.6 | ||||
| 229 | A | 37.7 | Very low | 46 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | -161.9 | 120.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 230 | S | 44.7 | Very low | 45.7 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | 56.1 | 105.8 | 87.3 | -171 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 231 | T | 43.5 | Very low | 45.9 | Very low | 136 Ų | 136 | 125.4 Ų | 125.4 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | 179 | 128.2 | 119.6 | -71 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 232 | G | 34.6 | Very low | 46.5 | Very low | 74 Ų | 74 | 124 Ų | 124 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | -82.4 | 172.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 233 | S | 42.2 | Very low | 47.4 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -150.1 | 154.8 | 157 | -163.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 234 | Y | 41.7 | Very low | 47.4 | Very low | 237 Ų | 237 | 122.4 Ų | 122.4 | 93% | 0.929 | 79% | 0.788 | S | S | * | * | trans | -72.4 | 145.8 | -171.6 | -77.7 | -118 | 0 | 0 | 0 | 112 | ||||
| 235 | G | 48.9 | Very low | 48.3 | Very low | 74 Ų | 74 | 124.7 Ų | 124.7 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | -172.1 | 39.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 236 | D | 41.4 | Very low | 48.1 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -76.6 | 115.9 | 165.3 | -176.4 | 32.4 | 0 | 0 | 0 | 108.7 | ||||
| 237 | A | 52.1 | Low | 48.2 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | trans | -150 | 101.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | D239 | A237-D239 PolarHBondContact O-N 3.31Š| ||
| 238 | P | 48.4 | Very low | 48 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -97 | 73.8 | -173.6 | 37 | -34.4 | 0 | 0 | 0 | 112.7 | ||||
| 239 | D | 49.5 | Very low | 47.6 | Very low | 168 Ų | 168 | 126 Ų | 126 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | trans | -151.9 | 146 | 171.8 | -82.7 | -56.6 | 0 | 0 | 0 | 108.2 | A237 | A237-D239 PolarHBondContact O-N 3.31Š| ||
| 240 | G | 44.3 | Very low | 48 | Very low | 65 Ų | 65 | 126.6 Ų | 126.6 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | cis | 170.6 | 146.2 | -0.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 241 | M | 51 | Low | 48.3 | Very low | 170 Ų | 170 | 124.5 Ų | 124.5 | 84% | 0.837 | 74% | 0.739 | S | S | * | * | trans | 68.1 | 65.2 | 172.2 | -143 | 67.2 | 177.8 | 0 | 0 | 118.1 | ||||
| 242 | G | 58.1 | Low | 48.9 | Very low | 60 Ų | 60 | 124.7 Ų | 124.7 | 62% | 0.619 | 73% | 0.731 | S | S | * | * | trans | -69.6 | 156.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 243 | P | 58.8 | Low | 50.1 | Low | 120 Ų | 120 | 128 Ų | 128 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -54.6 | 141 | 178.2 | -26 | 35 | 0 | 0 | 0 | 113.1 | ||
| 244 | F | 50 | Low | 51 | Low | 145 Ų | 145 | 130.1 Ų | 130.1 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | trans | -41.9 | 136.3 | -169.9 | -76 | -96.6 | 0 | 0 | 0 | 114.7 | Y246 T247 | F244-Y246 PolarHBondContact O-N 3.47Å; F244-T247 HydrophobicContact CB-CG2 4.41Å; F244-T247 PolarHBondContact O-N 3.21Å; F244-T247 PolarHBondContact O-OG1 3.13Å | ||
| 245 | P | 59.4 | Low | 52.5 | Low | 119 Ų | 119 | 123.4 Ų | 123.4 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 9 | -179.5 | 28.9 | -36.4 | 0 | 0 | 0 | 115.3 | ||
| 246 | Y | 51 | Low | 53.9 | Low | 208 Ų | 208 | 121.9 Ų | 121.9 | 82% | 0.816 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | -5 | 175.9 | -64.1 | -71.8 | 0 | 0 | 0 | 113.8 | F244 K248 | F244-Y246 PolarHBondContact O-N 3.47Å; Y246-K248 PolarHBondContact O-N 3.41Å; Y246-K248 VanDerWaalsContact O-N 3.08Å |
| 247 | T | 47.4 | Very low | 55.8 | Low | 80 Ų | 80 | 117.2 Ų | 117.2 | 49% | 0.491 | 66% | 0.662 | S | S | . | * | trans | -82 | 84.5 | 170.9 | 54.5 | 0 | 0 | 0 | 0 | 110.2 | F244 T249 | F244-T247 HydrophobicContact CB-CG2 4.41Å; F244-T247 PolarHBondContact O-N 3.21Å; F244-T247 PolarHBondContact O-OG1 3.13Å; T247-T249 PolarHBondContact O-N 2.95Å | ||
| 248 | K | 49.3 | Very low | 57.2 | Low | 171 Ų | 171 | 120.7 Ų | 120.7 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | trans | -71.1 | 63.5 | 165.9 | -73.4 | -164.5 | 177.1 | -177.8 | 0 | 111.5 | Y246 I250 | Y246-K248 PolarHBondContact O-N 3.41Å; Y246-K248 VanDerWaalsContact O-N 3.08Å; K248-I250 HydrophobicContact CB-CD1 4.1Å; K248-I250 HydrophobicContact CB-CG1 4.28Å; K248-I250 HydrophobicContact CD-CD1 4.31Å; K248-I250 HydrophobicContact CG-CD1 3.84Å; K248-I250 PolarHBondContact O-N 2.94Å | ||
| 249 | T | 45.9 | Very low | 58.9 | Low | 131 Ų | 131 | 115.8 Ų | 115.8 | 80% | 0.804 | 63% | 0.625 | S | S | * | * | trans | -80 | 58.2 | 161.8 | 55.9 | 0 | 0 | 0 | 0 | 108.9 | T247 | T247-T249 PolarHBondContact O-N 2.95Š| ||
| 250 | I | 45.6 | Very low | 60.6 | Low | 108 Ų | 108 | 111.3 Ų | 111.3 | 55% | 0.554 | 60% | 0.599 | S | S | * | * | trans | -103.3 | 94 | -170.6 | -59.8 | 172.4 | 0 | 0 | 0 | 109.2 | K248 E252 | K248-I250 HydrophobicContact CB-CD1 4.1Å; K248-I250 HydrophobicContact CB-CG1 4.28Å; K248-I250 HydrophobicContact CD-CD1 4.31Å; K248-I250 HydrophobicContact CG-CD1 3.84Å; K248-I250 PolarHBondContact O-N 2.94Å; I250-E252 PolarHBondContact O-N 3.24Å | ||
| 251 | S | 51.7 | Low | 62.6 | Low | 67 Ų | 67 | 112.5 Ų | 112.5 | 47% | 0.469 | 59% | 0.587 | S | S | . | * | S | Bend | trans | 62.3 | 15.4 | 155.9 | -51.1 | 0 | 0 | 0 | 0 | 117.7 | D253 K254 N255 | S251-D253 PolarHBondContact O-N 2.82Å; S251-K254 PolarHBondContact O-N 3.4Å; S251-N255 PolarHBondContact O-N 3.42Å; S251-N255 PolarHBondContact O-ND2 3.34Å |
| 252 | E | 56.4 | Low | 64.3 | Low | 140 Ų | 140 | 105.6 Ų | 105.6 | 65% | 0.654 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.6 | -46.9 | -175.9 | -60.6 | -167.4 | 148.9 | 0 | 0 | 111.8 | I250 K254 N255 E256 | I250-E252 PolarHBondContact O-N 3.24Å; E252-K254 VanDerWaalsContact C-N 3.3Å; E252-K254 PolarHBondContact O-N 3.06Å; E252-N255 CarbonylContact O-C 3.56Å; E252-N255 PolarHBondContact O-N 3.42Å; E252-E256 WeakPolarHBondContact O-CB 3.38Å; E252-E256 PolarHBondContact O-N 3.48Å |
| 253 | D | 58.9 | Low | 65.8 | Low | 143 Ų | 143 | 103.1 Ų | 103.1 | 77% | 0.765 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.2 | -33.6 | 179.4 | -51.3 | -39.7 | 0 | 0 | 0 | 114.3 | S251 E256 A257 | S251-D253 PolarHBondContact O-N 2.82Å; D253-E256 WeakPolarHBondContact O-CB 3.39Å; D253-A257 PolarHBondContact O-N 2.96Å; D253-A257 VanDerWaalsContact O-N 3.13Å |
| 254 | K | 62.2 | Low | 67 | Low | 168 Ų | 168 | 105.9 Ų | 105.9 | 73% | 0.73 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -72.3 | -37.3 | 177.7 | -70.9 | -176.5 | 178.2 | 179.2 | 0 | 110.9 | S251 E252 Y258 | S251-K254 PolarHBondContact O-N 3.4Å; E252-K254 VanDerWaalsContact C-N 3.3Å; E252-K254 PolarHBondContact O-N 3.06Å; K254-Y258 WeakPolarHBondContact O-CB 3.41Å; K254-Y258 PolarHBondContact O-N 3.22Å |
| 255 | N | 73.2 | Confident | 68.6 | Low | 97 Ų | 97 | 102.3 Ų | 102.3 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.8 | -35 | 176.2 | -63.8 | -20.8 | 0 | 0 | 0 | 111.1 | S251 E252 F259 | S251-N255 PolarHBondContact O-N 3.42Å; S251-N255 PolarHBondContact O-ND2 3.34Å; E252-N255 CarbonylContact O-C 3.56Å; E252-N255 PolarHBondContact O-N 3.42Å; N255-F259 WeakPolarHBondContact O-CB 3.42Å; N255-F259 PolarHBondContact O-N 3.37Å |
| 256 | E | 77.5 | Confident | 70 | Confident | 42 Ų | 42 | 97.9 Ų | 97.9 | 20% | 0.196 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -55.5 | -59.1 | 172.6 | -169.3 | 65.6 | -117.3 | 0 | 0 | 111 | R184 E252 D253 Y258 F259 H260 | R184-E256 IonicContact CZ-OE1 2.88Å; R184-E256 IonicContact CZ-OE2 2.68Å; R184-E256 IonicContact NH1-OE1 3.63Å; R184-E256 IonicContact NH1-OE2 3.66Å; R184-E256 PolarHBondContact NH1-OE2 3.15Å; R184-E256 IonicContact NH2-OE1 2.98Å; R184-E256 PolarHBondContact NH2-OE1 2.99Å; R184-E256 IonicContact NH2-OE2 2.67Å; R184-E256 PolarHBondContact NH2-OE2 3.07Å; E252-E256 WeakPolarHBondContact O-CB 3.38Å; E252-E256 PolarHBondContact O-N 3.48Å; D253-E256 WeakPolarHBondContact O-CB 3.39Å; E256-Y258 PolarHBondContact O-N 2.8Å; E256-F259 PolarHBondContact O-N 3.26Å; E256-H260 PolarHBondContact O-CD2 2.66Å; E256-H260 VanDerWaalsContact O-CD2 3.25Å; E256-H260 PolarHBondContact O-N 3.15Å; E256-H260 IonicContact OE1-CD2 3.98Å; E256-H260 PolarHBondContact OE1-CD2 2.89Å; E256-H260 IonicContact OE1-CE1 2.67Å; E256-H260 IonicContact OE1-NE2 3.88Å; E256-H260 PolarHBondContact OE1-NE2 2.84Å |
| 257 | A | 80.2 | Confident | 71.8 | Confident | 63 Ų | 63 | 89 Ų | 89 | 52% | 0.521 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | D253 F259 H260 E261 | D253-A257 PolarHBondContact O-N 2.96Å; D253-A257 VanDerWaalsContact O-N 3.13Å; A257-F259 VanDerWaalsContact C-N 3.34Å; A257-H260 PolarHBondContact O-N 3.43Å; A257-E261 PolarHBondContact O-N 3.47Å; A257-E261 VanDerWaalsContact O-N 3.15Å |
| 258 | Y | 81.7 | Confident | 73.9 | Confident | 158 Ų | 158 | 94.5 Ų | 94.5 | 62% | 0.62 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.9 | -40.8 | 175.1 | 177.3 | -97.1 | 0 | 0 | 0 | 112 | K254 E256 K262 | K254-Y258 WeakPolarHBondContact O-CB 3.41Å; K254-Y258 PolarHBondContact O-N 3.22Å; E256-Y258 PolarHBondContact O-N 2.8Å; Y258-K262 HydrophobicContact CE1-CD 4.23Å; Y258-K262 WeakPolarHBondContact O-CB 3.16Å; Y258-K262 PolarHBondContact O-N 2.85Å |
| 259 | F | 85.4 | Confident | 75.8 | Confident | 8 Ų | 8 | 89 Ų | 89 | 4% | 0.035 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 177.4 | -178.8 | -106.4 | 0 | 0 | 0 | 111.8 | V180 L183 R184 F189 M190 L193 N255 E256 A257 E261 K262 L263 | V180-F259 HydrophobicContact CG1-CD1 4.28Å; V180-F259 HydrophobicContact CG1-CE1 4.02Å; L183-F259 HydrophobicContact CB-CZ 4.24Å; L183-F259 HydrophobicContact CD2-CE1 4.22Å; L183-F259 HydrophobicContact CD2-CZ 3.9Å; L183-F259 HydrophobicContact CG-CZ 3.93Å; R184-F259 HydrophobicContact CG-CD1 4.08Å; R184-F259 HydrophobicContact CG-CD2 3.91Å; R184-F259 HydrophobicContact CG-CE1 3.78Å; R184-F259 HydrophobicContact CG-CE2 3.66Å; R184-F259 HydrophobicContact CG-CG 4.1Å; R184-F259 HydrophobicContact CG-CZ 3.56Å; R184-F259 VanDerWaalsContact NE-CD1 3.32Å; R184-F259 VanDerWaalsContact NH2-CD1 3.28Å; F189-F259 HydrophobicContact CE1-CE2 4.24Å; F189-F259 HydrophobicContact CE1-CZ 4.17Å; M190-F259 HydrophobicContact SD-CD2 4.25Å; M190-F259 HydrophobicContact SD-CE2 3.69Å; L193-F259 HydrophobicContact CD2-CE2 4.3Å; N255-F259 WeakPolarHBondContact O-CB 3.42Å; N255-F259 PolarHBondContact O-N 3.37Å; E256-F259 PolarHBondContact O-N 3.26Å; A257-F259 VanDerWaalsContact C-N 3.34Å; F259-E261 PolarHBondContact O-N 3.31Å; F259-K262 CarbonylContact O-C 3.56Å; F259-K262 WeakPolarHBondContact O-CB 3.33Å; F259-K262 PolarHBondContact O-N 2.92Å; F259-L263 HydrophobicContact CD1-CD1 3.68Å; F259-L263 HydrophobicContact CD1-CG 4.04Å; F259-L263 HydrophobicContact CE1-CD1 3.41Å; F259-L263 VanDerWaalsContact CE1-CD1 3.41Å; F259-L263 HydrophobicContact CE1-CD2 4.13Å; F259-L263 HydrophobicContact CE1-CG 3.86Å; F259-L263 HydrophobicContact CE2-CD2 4.29Å; F259-L263 HydrophobicContact CE2-CG 4.44Å; F259-L263 HydrophobicContact CG-CG 4.48Å; F259-L263 HydrophobicContact CZ-CD1 4.05Å; F259-L263 HydrophobicContact CZ-CD2 3.89Å; F259-L263 HydrophobicContact CZ-CG 4.08Å; F259-L263 WeakPolarHBondContact O-CG 3.33Å; F259-L263 PolarHBondContact O-N 3.48Å |
| 260 | H | 85 | Confident | 78 | Confident | 74 Ų | 74 | 82.7 Ų | 82.7 | 34% | 0.343 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 175.7 | -79 | -64.4 | 0 | 0 | 0 | 113.3 | E256 A257 K262 L263 R264 | E256-H260 PolarHBondContact O-CD2 2.66Å; E256-H260 VanDerWaalsContact O-CD2 3.25Å; E256-H260 PolarHBondContact O-N 3.15Å; E256-H260 IonicContact OE1-CD2 3.98Å; E256-H260 PolarHBondContact OE1-CD2 2.89Å; E256-H260 IonicContact OE1-CE1 2.67Å; E256-H260 IonicContact OE1-NE2 3.88Å; E256-H260 PolarHBondContact OE1-NE2 2.84Å; A257-H260 PolarHBondContact O-N 3.43Å; H260-K262 VanDerWaalsContact C-N 3.3Å; H260-K262 PolarHBondContact O-N 3.19Å; H260-L263 WeakPolarHBondContact O-CB 3.44Å; H260-L263 PolarHBondContact O-N 3.34Å; H260-R264 PolarHBondContact O-N 3.11Å |
| 261 | E | 85.4 | Confident | 80.2 | Confident | 90 Ų | 90 | 80.7 Ų | 80.7 | 42% | 0.421 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.8 | -34.2 | 176.6 | -177.3 | 61.9 | -171.4 | 0 | 0 | 111.3 | A257 F259 R264 H265 | A257-E261 PolarHBondContact O-N 3.47Å; A257-E261 VanDerWaalsContact O-N 3.15Å; F259-E261 PolarHBondContact O-N 3.31Å; E261-R264 WeakPolarHBondContact O-CB 3.32Å; E261-R264 PolarHBondContact O-N 3.05Å; E261-R264 IonicContact OE1-NH1 3.51Å; E261-R264 PolarHBondContact OE1-NH1 2.73Å; E261-R264 WeakPolarHBondContact OE2-CD 3.23Å; E261-R264 IonicContact OE2-CZ 3.56Å; E261-R264 IonicContact OE2-NE 2.99Å; E261-R264 IonicContact OE2-NH1 2.66Å; E261-R264 PolarHBondContact OE2-NH1 3.15Å; E261-H265 IonicContact OE1-NE2 2.65Å |
| 262 | K | 87.1 | Confident | 82.1 | Confident | 25 Ų | 25 | 82.5 Ų | 82.5 | 11% | 0.109 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 171.4 | 174.4 | 148.9 | -178 | -175.8 | 0 | 111.9 | L193 N197 Y258 F259 H260 R264 H265 | L193-K262 HydrophobicContact CD1-CG 4.21Å; L193-K262 HydrophobicContact CD2-CD 4.35Å; L193-K262 HydrophobicContact CD2-CG 3.63Å; L193-K262 HydrophobicContact CG-CD 4.3Å; L193-K262 HydrophobicContact CG-CG 3.66Å; N197-K262 VanDerWaalsContact ND2-CG 3.33Å; N197-K262 WeakPolarHBondContact ND2-CG 3.48Å; Y258-K262 HydrophobicContact CE1-CD 4.23Å; Y258-K262 WeakPolarHBondContact O-CB 3.16Å; Y258-K262 PolarHBondContact O-N 2.85Å; F259-K262 CarbonylContact O-C 3.56Å; F259-K262 WeakPolarHBondContact O-CB 3.33Å; F259-K262 PolarHBondContact O-N 2.92Å; H260-K262 VanDerWaalsContact C-N 3.3Å; H260-K262 PolarHBondContact O-N 3.19Å; K262-R264 VanDerWaalsContact C-N 3.35Å; K262-R264 PolarHBondContact O-N 3.23Å; K262-H265 PolarHBondContact O-N 3.31Å |
| 263 | L | 88.9 | Confident | 83.8 | Confident | 8 Ų | 8 | 81 Ų | 81 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 173.8 | -71.6 | 177.4 | 0 | 0 | 0 | 112.8 | L174 L183 F189 L193 F259 H260 H265 M266 | L174-L263 HydrophobicContact CD2-CD1 3.77Å; L183-L263 HydrophobicContact CD2-CD1 4.28Å; L183-L263 HydrophobicContact CD2-CD2 3.77Å; F189-L263 HydrophobicContact CE1-CD2 3.75Å; F189-L263 HydrophobicContact CZ-CD2 3.48Å; F189-L263 VanDerWaalsContact CZ-CD2 3.48Å; L193-L263 HydrophobicContact CD2-CD2 3.94Å; F259-L263 HydrophobicContact CD1-CD1 3.68Å; F259-L263 HydrophobicContact CD1-CG 4.04Å; F259-L263 HydrophobicContact CE1-CD1 3.41Å; F259-L263 VanDerWaalsContact CE1-CD1 3.41Å; F259-L263 HydrophobicContact CE1-CD2 4.13Å; F259-L263 HydrophobicContact CE1-CG 3.86Å; F259-L263 HydrophobicContact CE2-CD2 4.29Å; F259-L263 HydrophobicContact CE2-CG 4.44Å; F259-L263 HydrophobicContact CG-CG 4.48Å; F259-L263 HydrophobicContact CZ-CD1 4.05Å; F259-L263 HydrophobicContact CZ-CD2 3.89Å; F259-L263 HydrophobicContact CZ-CG 4.08Å; F259-L263 WeakPolarHBondContact O-CG 3.33Å; F259-L263 PolarHBondContact O-N 3.48Å; H260-L263 WeakPolarHBondContact O-CB 3.44Å; H260-L263 PolarHBondContact O-N 3.34Å; L263-H265 PolarHBondContact O-N 3.23Å; L263-M266 HydrophobicContact CB-CE 3.84Å; L263-M266 HydrophobicContact CD2-CE 3.54Å; L263-M266 HydrophobicContact CG-CE 4.26Å; L263-M266 WeakPolarHBondContact O-CB 3.49Å; L263-M266 VanDerWaalsContact O-CE 3.27Å; L263-M266 WeakPolarHBondContact O-CE 3.38Å; L263-M266 VanDerWaalsContact O-CG 3.26Å; L263-M266 WeakPolarHBondContact O-CG 3.33Å; L263-M266 PolarHBondContact O-N 2.88Å |
| 264 | R | 84.9 | Confident | 85.5 | Confident | 178 Ų | 178 | 74.1 Ų | 74.1 | 67% | 0.672 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.4 | -179.4 | -170.5 | -174.2 | 175 | -163.6 | -1.4 | 113.6 | H260 E261 K262 | H260-R264 PolarHBondContact O-N 3.11Å; E261-R264 WeakPolarHBondContact O-CB 3.32Å; E261-R264 PolarHBondContact O-N 3.05Å; E261-R264 IonicContact OE1-NH1 3.51Å; E261-R264 PolarHBondContact OE1-NH1 2.73Å; E261-R264 WeakPolarHBondContact OE2-CD 3.23Å; E261-R264 IonicContact OE2-CZ 3.56Å; E261-R264 IonicContact OE2-NE 2.99Å; E261-R264 IonicContact OE2-NH1 2.66Å; E261-R264 PolarHBondContact OE2-NH1 3.15Å; K262-R264 VanDerWaalsContact C-N 3.35Å; K262-R264 PolarHBondContact O-N 3.23Å |
| 265 | H | 82.6 | Confident | 86.8 | Confident | 71 Ų | 71 | 67.2 Ų | 67.2 | 33% | 0.329 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 18.5 | -179 | -64.6 | -32.5 | 0 | 0 | 0 | 113.8 | R204 E261 K262 L263 G267 | R204-H265 PolarHBondContact NH2-CD2 2.91Å; R204-H265 PolarHBondContact NH2-CE1 2.83Å; R204-H265 VanDerWaalsContact NH2-CE1 3.31Å; R204-H265 PolarHBondContact NH2-NE2 3.17Å; E261-H265 IonicContact OE1-NE2 2.65Å; K262-H265 PolarHBondContact O-N 3.31Å; L263-H265 PolarHBondContact O-N 3.23Å; H265-G267 PolarHBondContact O-N 2.82Å |
| 266 | M | 88.8 | Confident | 87.7 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 12% | 0.123 | 32% | 0.315 | C | S | . | . | trans | -56 | 131.1 | 177.2 | 69 | 172 | 77 | 0 | 0 | 112.7 | L193 L263 K271 F274 | L193-M266 HydrophobicContact CD1-CB 3.55Å; L263-M266 HydrophobicContact CB-CE 3.84Å; L263-M266 HydrophobicContact CD2-CE 3.54Å; L263-M266 HydrophobicContact CG-CE 4.26Å; L263-M266 WeakPolarHBondContact O-CB 3.49Å; L263-M266 VanDerWaalsContact O-CE 3.27Å; L263-M266 WeakPolarHBondContact O-CE 3.38Å; L263-M266 VanDerWaalsContact O-CG 3.26Å; L263-M266 WeakPolarHBondContact O-CG 3.33Å; L263-M266 PolarHBondContact O-N 2.88Å; M266-K271 HydrophobicContact CG-CG 3.67Å; M266-K271 HydrophobicContact SD-CB 4.46Å; M266-K271 HydrophobicContact SD-CG 3.56Å; M266-K271 VanDerWaalsContact SD-CG 3.56Å; M266-F274 HydrophobicContact CE-CD2 4.1Å; M266-F274 HydrophobicContact SD-CD2 4.43Å | ||
| 267 | G | 90 | Very high | 88.4 | Confident | 23 Ų | 23 | 64.6 Ų | 64.6 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | trans | -80.6 | -175.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D196 H265 A269 S270 K271 | D196-G267 VanDerWaalsContact OD2-C 3.24Å; D196-G267 WeakPolarHBondContact OD2-CA 3.31Å; D196-G267 PolarHBondContact OD2-N 2.91Å; D196-G267 VanDerWaalsContact OD2-N 3.13Å; H265-G267 PolarHBondContact O-N 2.82Å; G267-A269 VanDerWaalsContact C-N 3.32Å; G267-A269 PolarHBondContact O-N 2.94Å; G267-S270 PolarHBondContact O-N 3.11Å; G267-K271 WeakPolarHBondContact O-CB 3.23Å; G267-K271 WeakPolarHBondContact O-CG 3.32Å; G267-K271 PolarHBondContact O-N 3.36Å | ||
| 268 | K | 90.5 | Very high | 88.9 | Confident | 194 Ų | 194 | 61.6 Ų | 61.6 | 84% | 0.843 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64 | -36.4 | -176.8 | -66.5 | 176.2 | -178.1 | 173 | 0 | 112.4 | Q272 | K268-Q272 PolarHBondContact O-N 3.1Å; K268-Q272 VanDerWaalsContact O-N 3.09Å |
| 269 | A | 89.6 | Confident | 89.2 | Confident | 55 Ų | 55 | 57 Ų | 57 | 46% | 0.455 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.2 | -47.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G267 Q272 R273 | G267-A269 VanDerWaalsContact C-N 3.32Å; G267-A269 PolarHBondContact O-N 2.94Å; A269-Q272 PolarHBondContact O-N 3.06Å; A269-R273 WeakPolarHBondContact O-CG 3.01Å; A269-R273 PolarHBondContact O-N 2.99Å; A269-R273 VanDerWaalsContact O-N 3.14Å |
| 270 | S | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 174.1 | -179.9 | 0 | 0 | 0 | 0 | 112.2 | F189 L193 D196 G267 Q272 R273 F274 | F189-S270 WeakPolarHBondContact CE2-O 3.16Å; F189-S270 WeakPolarHBondContact CE2-OG 3.44Å; L193-S270 WeakPolarHBondContact CD1-OG 3.31Å; D196-S270 WeakPolarHBondContact OD2-CB 3.44Å; D196-S270 PolarHBondContact OD2-N 3.02Å; G267-S270 PolarHBondContact O-N 3.11Å; S270-Q272 VanDerWaalsContact C-N 3.3Å; S270-Q272 PolarHBondContact O-N 3.39Å; S270-R273 PolarHBondContact O-N 3.34Å; S270-R273 VanDerWaalsContact O-N 3.11Å; S270-F274 PolarHBondContact O-N 2.85Å |
| 271 | K | 91.8 | Very high | 89.3 | Confident | 66 Ų | 66 | 60.2 Ų | 60.2 | 29% | 0.287 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.1 | -39.8 | 172.8 | -80.3 | -164.1 | 172 | -160.5 | 0 | 112.8 | D167 F170 M266 G267 F274 V275 | D167-K271 IonicContact OD1-NZ 2.61Å; D167-K271 PolarHBondContact OD1-NZ 3.44Å; F170-K271 HydrophobicContact CE2-CD 4.03Å; F170-K271 HydrophobicContact CE2-CG 4.5Å; M266-K271 HydrophobicContact CG-CG 3.67Å; M266-K271 HydrophobicContact SD-CB 4.46Å; M266-K271 HydrophobicContact SD-CG 3.56Å; M266-K271 VanDerWaalsContact SD-CG 3.56Å; G267-K271 WeakPolarHBondContact O-CB 3.23Å; G267-K271 WeakPolarHBondContact O-CG 3.32Å; G267-K271 PolarHBondContact O-N 3.36Å; K271-F274 WeakPolarHBondContact O-CB 3.33Å; K271-F274 PolarHBondContact O-N 3.4Å; K271-V275 WeakPolarHBondContact O-CG2 3.31Å; K271-V275 PolarHBondContact O-N 3.3Å |
| 272 | Q | 92.2 | Very high | 89 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 49% | 0.486 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.4 | -36.1 | 177.5 | -175 | 54.9 | 39.1 | 0 | 0 | 112.5 | K268 A269 S270 V275 N276 | K268-Q272 PolarHBondContact O-N 3.1Å; K268-Q272 VanDerWaalsContact O-N 3.09Å; A269-Q272 PolarHBondContact O-N 3.06Å; S270-Q272 VanDerWaalsContact C-N 3.3Å; S270-Q272 PolarHBondContact O-N 3.39Å; Q272-V275 PolarHBondContact O-N 2.93Å; Q272-N276 PolarHBondContact NE2-OD1 3.33Å; Q272-N276 VanDerWaalsContact O-CG 3.26Å; Q272-N276 PolarHBondContact O-N 2.85Å; Q272-N276 VanDerWaalsContact O-N 3.08Å; Q272-N276 PolarHBondContact O-OD1 3.08Å |
| 273 | R | 92.4 | Very high | 88.6 | Confident | 108 Ų | 108 | 65.1 Ų | 65.1 | 41% | 0.408 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 173.2 | -66.6 | -68.6 | 175.6 | 158.9 | 2.4 | 111.2 | D188 F189 A192 A269 S270 V275 N276 L277 | D188-R273 IonicContact OD2-CZ 3.9Å; D188-R273 IonicContact OD2-NH1 3.73Å; D188-R273 PolarHBondContact OD2-NH1 2.88Å; F189-R273 HydrophobicContact CB-CB 4.42Å; F189-R273 HydrophobicContact CD2-CB 3.85Å; A192-R273 HydrophobicContact CB-CG 4.25Å; A269-R273 WeakPolarHBondContact O-CG 3.01Å; A269-R273 PolarHBondContact O-N 2.99Å; A269-R273 VanDerWaalsContact O-N 3.14Å; S270-R273 PolarHBondContact O-N 3.34Å; S270-R273 VanDerWaalsContact O-N 3.11Å; R273-V275 PolarHBondContact O-N 2.84Å; R273-N276 PolarHBondContact O-N 3.5Å; R273-L277 WeakPolarHBondContact O-CG 3.46Å; R273-L277 PolarHBondContact O-N 3.29Å |
| 274 | F | 93.1 | Very high | 88 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.6 | -50.4 | 171.1 | -179.7 | -73.9 | 0 | 0 | 0 | 111.9 | F170 I173 L174 F179 L183 F189 M266 S270 K271 N276 L277 A278 | F170-F274 HydrophobicContact CB-CE1 4.24Å; F170-F274 HydrophobicContact CB-CZ 4.25Å; F170-F274 AromaticContact CD1-CD1 3.68Å; F170-F274 HydrophobicContact CD1-CD1 3.68Å; F170-F274 AromaticContact CD1-CE1 3.29Å; F170-F274 HydrophobicContact CD1-CE1 3.29Å; F170-F274 HydrophobicContact CD1-CZ 4.13Å; F170-F274 AromaticContact CE1-CD1 3.74Å; F170-F274 HydrophobicContact CE1-CD1 3.74Å; F170-F274 AromaticContact CE1-CE1 3.82Å; F170-F274 HydrophobicContact CE1-CE1 3.82Å; F170-F274 HydrophobicContact CG-CD1 4.41Å; F170-F274 AromaticContact CG-CE1 3.99Å; F170-F274 HydrophobicContact CG-CE1 3.99Å; F170-F274 HydrophobicContact CG-CZ 4.45Å; I173-F274 HydrophobicContact CB-CE1 4.42Å; I173-F274 HydrophobicContact CB-CZ 4.14Å; I173-F274 HydrophobicContact CD1-CE1 4.12Å; I173-F274 HydrophobicContact CG2-CE1 4.22Å; I173-F274 HydrophobicContact CG2-CZ 3.87Å; L174-F274 HydrophobicContact CD1-CE2 4.3Å; L174-F274 HydrophobicContact CD2-CE2 3.82Å; L174-F274 HydrophobicContact CD2-CZ 4.39Å; L174-F274 HydrophobicContact CG-CE2 3.89Å; L174-F274 HydrophobicContact CG-CZ 4.03Å; F179-F274 HydrophobicContact CE1-CD2 4.07Å; F179-F274 HydrophobicContact CE1-CE1 4.35Å; F179-F274 AromaticContact CE1-CE2 3.47Å; F179-F274 HydrophobicContact CE1-CE2 3.47Å; F179-F274 VanDerWaalsContact CE1-CE2 3.47Å; F179-F274 AromaticContact CE1-CZ 3.62Å; F179-F274 HydrophobicContact CE1-CZ 3.62Å; F179-F274 HydrophobicContact CZ-CD2 4.2Å; F179-F274 HydrophobicContact CZ-CE1 4.36Å; F179-F274 AromaticContact CZ-CE2 3.99Å; F179-F274 HydrophobicContact CZ-CE2 3.99Å; F179-F274 HydrophobicContact CZ-CZ 4.05Å; L183-F274 HydrophobicContact CD1-CD2 4.3Å; L183-F274 HydrophobicContact CD2-CD2 3.93Å; L183-F274 HydrophobicContact CD2-CE2 4.08Å; F189-F274 HydrophobicContact CE2-CB 4Å; M266-F274 HydrophobicContact CE-CD2 4.1Å; M266-F274 HydrophobicContact SD-CD2 4.43Å; S270-F274 PolarHBondContact O-N 2.85Å; K271-F274 WeakPolarHBondContact O-CB 3.33Å; K271-F274 PolarHBondContact O-N 3.4Å; F274-N276 VanDerWaalsContact C-N 3.34Å; F274-N276 PolarHBondContact O-N 3.07Å; F274-L277 PolarHBondContact O-N 3.46Å; F274-A278 HydrophobicContact CE1-CB 4.31Å; F274-A278 WeakPolarHBondContact O-CB 3.5Å; F274-A278 PolarHBondContact O-N 3.48Å |
| 275 | V | 91.3 | Very high | 87 | Confident | 22 Ų | 22 | 66.3 Ų | 66.3 | 13% | 0.133 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 179.4 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | F170 K271 Q272 R273 L277 A278 D279 | F170-V275 HydrophobicContact CE1-CG2 3.64Å; F170-V275 HydrophobicContact CZ-CG2 3.72Å; K271-V275 WeakPolarHBondContact O-CG2 3.31Å; K271-V275 PolarHBondContact O-N 3.3Å; Q272-V275 PolarHBondContact O-N 2.93Å; R273-V275 PolarHBondContact O-N 2.84Å; V275-L277 VanDerWaalsContact C-N 3.29Å; V275-L277 PolarHBondContact O-N 2.92Å; V275-A278 PolarHBondContact O-N 2.88Å; V275-D279 WeakPolarHBondContact O-CB 3.41Å; V275-D279 PolarHBondContact O-N 3.22Å |
| 276 | N | 91.8 | Very high | 85.9 | Confident | 68 Ų | 68 | 69.2 Ų | 69.2 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 178.1 | -68.4 | -10.2 | 0 | 0 | 0 | 112.2 | Q272 R273 F274 K280 | Q272-N276 PolarHBondContact NE2-OD1 3.33Å; Q272-N276 VanDerWaalsContact O-CG 3.26Å; Q272-N276 PolarHBondContact O-N 2.85Å; Q272-N276 VanDerWaalsContact O-N 3.08Å; Q272-N276 PolarHBondContact O-OD1 3.08Å; R273-N276 PolarHBondContact O-N 3.5Å; F274-N276 VanDerWaalsContact C-N 3.34Å; F274-N276 PolarHBondContact O-N 3.07Å; N276-K280 VanDerWaalsContact O-CG 3.29Å; N276-K280 WeakPolarHBondContact O-CG 3.49Å; N276-K280 PolarHBondContact O-N 3.21Å |
| 277 | L | 92 | Very high | 84.1 | Confident | 16 Ų | 16 | 70.6 Ų | 70.6 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.3 | -43.5 | 176.6 | -75.2 | 167.3 | 0 | 0 | 0 | 112.1 | F179 L183 D186 F189 R273 F274 V275 D279 K280 F281 | F179-L277 HydrophobicContact CE2-CB 4Å; F179-L277 HydrophobicContact CZ-CB 4.3Å; L183-L277 HydrophobicContact CD1-CD1 3.57Å; D186-L277 HydrophobicContact CB-CD1 3.8Å; D186-L277 HydrophobicContact CB-CD2 4.22Å; F189-L277 HydrophobicContact CB-CD1 3.87Å; F189-L277 HydrophobicContact CD2-CD1 4.49Å; F189-L277 HydrophobicContact CG-CD1 4.25Å; R273-L277 WeakPolarHBondContact O-CG 3.46Å; R273-L277 PolarHBondContact O-N 3.29Å; F274-L277 PolarHBondContact O-N 3.46Å; V275-L277 VanDerWaalsContact C-N 3.29Å; V275-L277 PolarHBondContact O-N 2.92Å; L277-D279 VanDerWaalsContact C-N 3.33Å; L277-D279 PolarHBondContact O-N 2.98Å; L277-K280 WeakPolarHBondContact O-CB 3.3Å; L277-K280 PolarHBondContact O-N 2.99Å; L277-K280 VanDerWaalsContact O-N 3.14Å; L277-F281 WeakPolarHBondContact O-CB 3.43Å; L277-F281 PolarHBondContact O-N 3.48Å |
| 278 | A | 90.4 | Very high | 82.3 | Confident | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.008 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59 | -45.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I173 F179 F274 V275 K280 F281 L282 | I173-A278 HydrophobicContact CD1-CB 3.72Å; I173-A278 HydrophobicContact CG2-CB 4.18Å; F179-A278 HydrophobicContact CE2-CB 4.12Å; F179-A278 HydrophobicContact CZ-CB 4.2Å; F274-A278 HydrophobicContact CE1-CB 4.31Å; F274-A278 WeakPolarHBondContact O-CB 3.5Å; F274-A278 PolarHBondContact O-N 3.48Å; V275-A278 PolarHBondContact O-N 2.88Å; A278-K280 VanDerWaalsContact C-N 3.31Å; A278-K280 PolarHBondContact O-N 3.02Å; A278-F281 PolarHBondContact O-N 2.89Å; A278-L282 WeakPolarHBondContact O-CD1 3.46Å; A278-L282 VanDerWaalsContact O-CG 3.28Å; A278-L282 WeakPolarHBondContact O-CG 3.29Å; A278-L282 PolarHBondContact O-N 3.36Å |
| 279 | D | 87.2 | Confident | 80.3 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 33% | 0.332 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -36.9 | 175.9 | -87.5 | 18.5 | 0 | 0 | 0 | 112.4 | V275 L277 R283 | V275-D279 WeakPolarHBondContact O-CB 3.41Å; V275-D279 PolarHBondContact O-N 3.22Å; L277-D279 VanDerWaalsContact C-N 3.33Å; L277-D279 PolarHBondContact O-N 2.98Å; D279-R283 WeakPolarHBondContact O-CD 3.45Å; D279-R283 WeakPolarHBondContact O-CG 3.42Å; D279-R283 PolarHBondContact O-N 3.01Å; D279-R283 PolarHBondContact O-NE 3.11Å; D279-R283 VanDerWaalsContact O-NE 3.1Å; D279-R283 IonicContact OD2-NH2 2.85Å |
| 280 | K | 87.6 | Confident | 78.4 | Confident | 137 Ų | 137 | 70 Ų | 70 | 60% | 0.596 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -69.1 | -45.9 | 174.1 | -73.4 | 170.8 | -179.2 | -176.9 | 0 | 111.5 | N276 L277 A278 L282 R283 K284 | N276-K280 VanDerWaalsContact O-CG 3.29Å; N276-K280 WeakPolarHBondContact O-CG 3.49Å; N276-K280 PolarHBondContact O-N 3.21Å; L277-K280 WeakPolarHBondContact O-CB 3.3Å; L277-K280 PolarHBondContact O-N 2.99Å; L277-K280 VanDerWaalsContact O-N 3.14Å; A278-K280 VanDerWaalsContact C-N 3.31Å; A278-K280 PolarHBondContact O-N 3.02Å; K280-L282 PolarHBondContact O-N 3.31Å; K280-R283 PolarHBondContact O-N 2.77Å; K280-K284 PolarHBondContact O-N 3.06Å |
| 281 | F | 85.7 | Confident | 76.7 | Confident | 11 Ų | 11 | 76.6 Ų | 76.6 | 5% | 0.048 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.3 | -46.4 | -178.9 | -173.2 | -82.3 | 0 | 0 | 0 | 111.3 | N176 E178 F179 L277 A278 R283 K284 H285 | N176-F281 WeakPolarHBondContact ND2-CE1 3.44Å; N176-F281 WeakPolarHBondContact ND2-CZ 3.31Å; E178-F281 HydrophobicContact CB-CE2 3.98Å; E178-F281 HydrophobicContact CB-CZ 3.71Å; F179-F281 HydrophobicContact CB-CD1 4.41Å; F179-F281 HydrophobicContact CB-CD2 4.17Å; F179-F281 HydrophobicContact CB-CE1 4.44Å; F179-F281 HydrophobicContact CB-CE2 4.16Å; F179-F281 HydrophobicContact CB-CG 4.32Å; F179-F281 HydrophobicContact CB-CZ 4.32Å; F179-F281 HydrophobicContact CD2-CB 3.8Å; F179-F281 HydrophobicContact CD2-CD1 4.39Å; F179-F281 AromaticContact CD2-CD2 3.95Å; F179-F281 HydrophobicContact CD2-CD2 3.95Å; F179-F281 AromaticContact CD2-CG 3.77Å; F179-F281 HydrophobicContact CD2-CG 3.77Å; F179-F281 HydrophobicContact CE2-CB 4.3Å; L277-F281 WeakPolarHBondContact O-CB 3.43Å; L277-F281 PolarHBondContact O-N 3.48Å; A278-F281 PolarHBondContact O-N 2.89Å; F281-R283 VanDerWaalsContact C-N 3.31Å; F281-R283 PolarHBondContact O-N 3.16Å; F281-K284 WeakPolarHBondContact O-CB 3.28Å; F281-K284 PolarHBondContact O-N 3.24Å; F281-K284 VanDerWaalsContact O-N 3.1Å; F281-H285 AromaticContact CE1-CD2 3.56Å; F281-H285 AromaticContact CE1-NE2 3.73Å; F281-H285 AromaticContact CE2-NE2 3.79Å; F281-H285 AromaticContact CZ-CD2 3.65Å; F281-H285 AromaticContact CZ-NE2 3.3Å; F281-H285 VanDerWaalsContact CZ-NE2 3.3Å; F281-H285 WeakPolarHBondContact CZ-NE2 3.19Å; F281-H285 PolarHBondContact O-CD2 3.36Å; F281-H285 PolarHBondContact O-N 3.38Å |
| 282 | L | 79.7 | Confident | 74.6 | Confident | 40 Ų | 40 | 81.4 Ų | 81.4 | 21% | 0.209 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68.3 | -31.1 | 180 | -64.7 | 162.2 | 0 | 0 | 0 | 112.5 | M146 A278 K280 K286 | M146-L282 HydrophobicContact CE-CD1 3.38Å; M146-L282 HydrophobicContact SD-CD1 3.51Å; M146-L282 VanDerWaalsContact SD-CD1 3.51Å; M146-L282 HydrophobicContact SD-CD2 3.65Å; M146-L282 HydrophobicContact SD-CG 4.21Å; A278-L282 WeakPolarHBondContact O-CD1 3.46Å; A278-L282 VanDerWaalsContact O-CG 3.28Å; A278-L282 WeakPolarHBondContact O-CG 3.29Å; A278-L282 PolarHBondContact O-N 3.36Å; K280-L282 PolarHBondContact O-N 3.31Å; L282-K286 WeakPolarHBondContact O-CB 3.1Å; L282-K286 PolarHBondContact O-N 3.43Å |
| 283 | R | 78.7 | Confident | 72.2 | Confident | 179 Ų | 179 | 79.4 Ų | 79.4 | 68% | 0.675 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.8 | -33.1 | 171.1 | -69.4 | 164.6 | -155.3 | -95.8 | 1.7 | 112.5 | D279 K280 F281 | D279-R283 WeakPolarHBondContact O-CD 3.45Å; D279-R283 WeakPolarHBondContact O-CG 3.42Å; D279-R283 PolarHBondContact O-N 3.01Å; D279-R283 PolarHBondContact O-NE 3.11Å; D279-R283 VanDerWaalsContact O-NE 3.1Å; D279-R283 IonicContact OD2-NH2 2.85Å; K280-R283 PolarHBondContact O-N 2.77Å; F281-R283 VanDerWaalsContact C-N 3.31Å; F281-R283 PolarHBondContact O-N 3.16Å |
| 284 | K | 75.9 | Confident | 69.9 | Low | 134 Ų | 134 | 81.3 Ų | 81.3 | 58% | 0.583 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.1 | -37.5 | 176.3 | -176.8 | -176.1 | 178.1 | -172.7 | 0 | 112 | E182 K280 F281 | E182-K284 IonicContact OE2-NZ 2.86Å; E182-K284 PolarHBondContact OE2-NZ 3.32Å; K280-K284 PolarHBondContact O-N 3.06Å; F281-K284 WeakPolarHBondContact O-CB 3.28Å; F281-K284 PolarHBondContact O-N 3.24Å; F281-K284 VanDerWaalsContact O-N 3.1Å |
| 285 | H | 64.2 | Low | 67.5 | Low | 77 Ų | 77 | 87.1 Ų | 87.1 | 36% | 0.356 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -91.2 | -20.2 | -179.2 | -72.1 | -101.9 | 0 | 0 | 0 | 114.5 | E178 F281 G287 | E178-H285 IonicContact OE2-CE1 3.42Å; E178-H285 PolarHBondContact OE2-CE1 3.14Å; F281-H285 AromaticContact CE1-CD2 3.56Å; F281-H285 AromaticContact CE1-NE2 3.73Å; F281-H285 AromaticContact CE2-NE2 3.79Å; F281-H285 AromaticContact CZ-CD2 3.65Å; F281-H285 AromaticContact CZ-NE2 3.3Å; F281-H285 VanDerWaalsContact CZ-NE2 3.3Å; F281-H285 WeakPolarHBondContact CZ-NE2 3.19Å; F281-H285 PolarHBondContact O-CD2 3.36Å; F281-H285 PolarHBondContact O-N 3.38Å; H285-G287 PolarHBondContact O-N 2.82Å |
| 286 | K | 59.8 | Low | 65.2 | Low | 131 Ų | 131 | 96.5 Ų | 96.5 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -78.6 | 90.2 | 169.8 | -156.6 | 156.8 | -168.7 | 151.8 | 0 | 108.1 | L282 | L282-K286 WeakPolarHBondContact O-CB 3.1Å; L282-K286 PolarHBondContact O-N 3.43Å |
| 287 | G | 50.4 | Low | 63.1 | Low | 54 Ų | 54 | 99.9 Ų | 99.9 | 56% | 0.557 | 57% | 0.571 | S | S | * | * | trans | -50 | 165.5 | -163.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | H285 A289 | H285-G287 PolarHBondContact O-N 2.82Å; G287-A289 PolarHBondContact O-N 3.43Å | ||
| 288 | A | 51.8 | Low | 60.5 | Low | 81 Ų | 81 | 105.4 Ų | 105.4 | 67% | 0.669 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -53.9 | 9.4 | -162.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | G290 I291 | A288-G290 PolarHBondContact O-N 2.89Å; A288-I291 HydrophobicContact CB-CD1 3.88Å; A288-I291 WeakPolarHBondContact O-CD1 3.41Å; A288-I291 WeakPolarHBondContact O-CG1 3.24Å |
| 289 | A | 48.5 | Very low | 58.4 | Low | 105 Ų | 105 | 117.6 Ų | 117.6 | 87% | 0.868 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -70.5 | -7.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G287 | G287-A289 PolarHBondContact O-N 3.43Š|
| 290 | G | 50.3 | Low | 56.1 | Low | 73 Ų | 73 | 119.5 Ų | 119.5 | 75% | 0.753 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -88.3 | 1.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | A288 L292 | A288-G290 PolarHBondContact O-N 2.89Å; G290-L292 VanDerWaalsContact C-N 3.3Å; G290-L292 PolarHBondContact O-N 3.27Å |
| 291 | I | 55.4 | Low | 53.9 | Low | 140 Ų | 140 | 123.5 Ų | 123.5 | 72% | 0.718 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -74.3 | -16.9 | -167.3 | -64.9 | 175.2 | 0 | 0 | 0 | 113.2 | A288 | A288-I291 HydrophobicContact CB-CD1 3.88Å; A288-I291 WeakPolarHBondContact O-CD1 3.41Å; A288-I291 WeakPolarHBondContact O-CG1 3.24Å |
| 292 | L | 49 | Very low | 52 | Low | 166 Ų | 166 | 127.9 Ų | 127.9 | 87% | 0.869 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -139.2 | 90 | -175.6 | -153.8 | 78.5 | 0 | 0 | 0 | 114 | G290 | G290-L292 VanDerWaalsContact C-N 3.3Å; G290-L292 PolarHBondContact O-N 3.27Å |
| 293 | G | 40.8 | Very low | 50.6 | Low | 62 Ų | 62 | 135.2 Ų | 135.2 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | trans | 74.1 | 138.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 294 | T | 44.7 | Very low | 48.9 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 91% | 0.908 | 75% | 0.749 | S | S | * | * | trans | 75.8 | 75 | 157.1 | 70.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 295 | S | 41.5 | Very low | 47.5 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | -151.2 | 118.4 | 129.8 | -164.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 296 | R | 44.3 | Very low | 46.6 | Very low | 218 Ų | 218 | 136.2 Ų | 136.2 | 82% | 0.823 | 78% | 0.779 | S | S | * | * | trans | -44.9 | 135.5 | 176.6 | -64.3 | 151.7 | 162.8 | -174.9 | -7.6 | 111.2 | ||||
| 297 | T | 48 | Very low | 46.1 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | -131.4 | 132.5 | 61.6 | 51.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 298 | D | 37.3 | Very low | 46 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -67.1 | 125.6 | -175.8 | -59.4 | -86.5 | 0 | 0 | 0 | 115.3 | ||||
| 299 | R | 45.6 | Very low | 46 | Very low | 257 Ų | 257 | 141 Ų | 141 | 97% | 0.97 | 80% | 0.798 | S | S | * | * | trans | -130.1 | 33.1 | 151.8 | -98.2 | -165.3 | 179.1 | -167.5 | 2.1 | 111.2 | ||||
| 300 | S | 38.1 | Very low | 45.9 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -115.8 | 98.2 | -169.4 | -58.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 301 | R | 41.9 | Very low | 45.9 | Very low | 221 Ų | 221 | 146.1 Ų | 146.1 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -172.6 | -9.2 | 147.2 | -124.2 | -176.2 | 116.5 | 92.5 | -1.2 | 118.3 | ||
| 302 | A | 47.1 | Very low | 45.3 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -97.5 | -5.9 | -159.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 303 | Q | 49.5 | Very low | 45.5 | Very low | 194 Ų | 194 | 139.9 Ų | 139.9 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | trans | -133.4 | 58.9 | 177 | -68.8 | -175.1 | -4.2 | 0 | 0 | 110.9 | ||||
| 304 | L | 42.1 | Very low | 46.2 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | trans | -84.2 | 100.6 | 159.3 | -77.8 | 166.5 | 0 | 0 | 0 | 107.8 | ||||
| 305 | L | 47.7 | Very low | 46.6 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | 165.3 | 126.3 | 139.8 | -90.1 | 162.4 | 0 | 0 | 0 | 109.1 | D307 | L305-D307 PolarHBondContact O-N 3.03Š| ||
| 306 | P | 44.8 | Very low | 47.2 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | -87.6 | 98.5 | 167.5 | 33 | -26.7 | 0 | 0 | 0 | 108.7 | N308 | P306-N308 PolarHBondContact O-N 3.19Š| ||
| 307 | D | 50 | Low | 47.8 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -93.3 | 82.6 | 170.4 | -158.2 | 9.8 | 0 | 0 | 0 | 109.4 | L305 G309 | L305-D307 PolarHBondContact O-N 3.03Å; D307-G309 PolarHBondContact O-N 2.98Å | ||
| 308 | N | 48.4 | Very low | 48.1 | Very low | 163 Ų | 163 | 143 Ų | 143 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -88.7 | 87.6 | 167.9 | -73.5 | -29.6 | 0 | 0 | 0 | 107.5 | P306 | P306-N308 PolarHBondContact O-N 3.19Š| ||
| 309 | G | 51.6 | Low | 48.6 | Very low | 50 Ų | 50 | 140.8 Ų | 140.8 | 52% | 0.515 | 76% | 0.759 | S | S | . | * | trans | -144 | 117.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D307 | D307-G309 PolarHBondContact O-N 2.98Š| ||
| 310 | N | 46.7 | Very low | 48.7 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | trans | 54.7 | 106.7 | 153.5 | -71.2 | 19.4 | 0 | 0 | 0 | 118.2 | ||||
| 311 | E | 49.6 | Very low | 49.1 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 71% | 0.71 | 75% | 0.748 | S | S | * | * | 89.3 | 134.2 | 70.7 | 91.8 | -162.4 | 147 | 0 | 0 | 113.1 | |||||
| 312 | S | 43.4 | Very low | 49.4 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | 66.4 | 108.4 | 152.6 | -54.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 313 | A | 51.6 | Low | 49.2 | Very low | 72 Ų | 72 | 130.7 Ų | 130.7 | 60% | 0.595 | 74% | 0.739 | S | S | * | * | 84.7 | 135.9 | 115.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 314 | E | 55.9 | Low | 49 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | trans | 65.8 | 138.7 | 143.3 | -64.2 | 152.7 | -143.8 | 0 | 0 | 116.7 | ||||
| 315 | D | 53 | Low | 49 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | cis | -162.7 | 179.5 | -3.3 | -111.9 | -16.7 | 0 | 0 | 0 | 110.2 | ||||
| 316 | D | 53.8 | Low | 48.9 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | 75.7 | 110.6 | 150.8 | -63.7 | -17.3 | 0 | 0 | 0 | 124.2 | ||||
| 317 | E | 57.9 | Low | 48.8 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | 75.7 | 115.9 | 118.8 | -56.9 | -64.3 | -166.8 | 0 | 0 | 125.2 | |||||
| 318 | E | 54.7 | Low | 48.7 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | 53.8 | 115.6 | 122 | -155.8 | 174.5 | -134.4 | 0 | 0 | 123.2 | T320 | E318-T320 HydrophobicContact CG-CG2 4.37Š| |||
| 319 | A | 47.9 | Very low | 48.7 | Very low | 86 Ų | 86 | 130.5 Ų | 130.5 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | 171.4 | 95.5 | 132.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 320 | T | 47.1 | Very low | 48.5 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | 72.6 | 151.2 | 82.5 | 62.5 | 0 | 0 | 0 | 0 | 116.4 | E318 | E318-T320 HydrophobicContact CG-CG2 4.37Š| |||
| 321 | S | 47 | Very low | 48.5 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | trans | 75.9 | 101 | 178.5 | -147.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 322 | E | 47.7 | Very low | 48.2 | Very low | 187 Ų | 187 | 137 Ų | 137 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | 62.4 | 135.1 | 86 | -62.9 | 173.1 | -160 | 0 | 0 | 113.5 | |||||
| 323 | G | 42.9 | Very low | 48.4 | Very low | 61 Ų | 61 | 137.7 Ų | 137.7 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | cis | 170.2 | -177.3 | 4.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 324 | Y | 44.9 | Very low | 47.9 | Very low | 234 Ų | 234 | 140.4 Ų | 140.4 | 92% | 0.918 | 75% | 0.75 | S | S | * | * | trans | 78.9 | 128.9 | 175.5 | -60.7 | -80.7 | 0 | 0 | 0 | 119 | ||||
| 325 | N | 43.1 | Very low | 47.6 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -106.1 | 177.9 | -177.6 | -79.1 | -83.6 | 0 | 0 | 0 | 111.2 | ||||
| 326 | Q | 44.9 | Very low | 47.1 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 84.6 | 122.6 | 149.6 | -77.8 | 162 | 31.7 | 0 | 0 | 119.4 | ||||
| 327 | T | 43.6 | Very low | 46.9 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | 63.4 | 139.7 | 145.4 | 56.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 328 | S | 47 | Very low | 46.6 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | cis | -153.8 | -169.7 | 12.4 | 38.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 329 | D | 48.1 | Very low | 46.3 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | trans | 85.3 | 118.6 | 152.8 | -52.1 | -46.9 | 0 | 0 | 0 | 120 | ||||
| 330 | N | 48.4 | Very low | 46.3 | Very low | 150 Ų | 150 | 148.6 Ų | 148.6 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | -58.1 | 132.2 | 152 | -45.5 | -77.2 | 0 | 0 | 0 | 108.2 | ||||
| 331 | D | 45.6 | Very low | 46.2 | Very low | 134 Ų | 134 | 152.8 Ų | 152.8 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | 179.7 | 156 | 105.7 | -104.1 | -26.2 | 0 | 0 | 0 | 113.6 | |||||
| 332 | Y | 44.4 | Very low | 46.4 | Very low | 187 Ų | 187 | 159.1 Ų | 159.1 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | 15.6 | 116.3 | 159.1 | -68.7 | -95.5 | 0 | 0 | 0 | 118.9 | ||||
| 333 | N | 47.1 | Very low | 46.5 | Very low | 119 Ų | 119 | 156.3 Ų | 156.3 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | trans | -145.1 | 92.3 | 135 | -110.2 | -79.7 | 0 | 0 | 0 | 111.8 | R335 | N333-R335 HydrophobicContact CB-CG 4.09Å; N333-R335 PolarHBondContact O-N 2.8Å; N333-R335 WeakPolarHBondContact OD1-CG 3.5Å; N333-R335 PolarHBondContact OD1-NE 3.26Å | ||
| 334 | V | 41.2 | Very low | 47.3 | Very low | 129 Ų | 129 | 159.9 Ų | 159.9 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | trans | -65.8 | 78.2 | 162.1 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | R336 | V334-R336 PolarHBondContact O-N 3.07Š| ||
| 335 | R | 48.5 | Very low | 47.6 | Very low | 178 Ų | 178 | 155.6 Ų | 155.6 | 67% | 0.672 | 76% | 0.755 | S | S | * | * | trans | -90.9 | 77.8 | 179.4 | -83.2 | 179.9 | 176.6 | -154.8 | -0 | 111.5 | N333 F337 | N333-R335 HydrophobicContact CB-CG 4.09Å; N333-R335 PolarHBondContact O-N 2.8Å; N333-R335 WeakPolarHBondContact OD1-CG 3.5Å; N333-R335 PolarHBondContact OD1-NE 3.26Å; R335-F337 VanDerWaalsContact C-N 3.26Å; R335-F337 HydrophobicContact CB-CD2 4.05Å; R335-F337 HydrophobicContact CB-CE2 4.21Å; R335-F337 HydrophobicContact CG-CE2 4.35Å; R335-F337 PolarHBondContact O-N 2.99Å | ||
| 336 | R | 42.9 | Very low | 48.1 | Very low | 229 Ų | 229 | 160.3 Ų | 160.3 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -59.4 | 79.4 | 163.8 | -172.1 | -166.6 | -139.6 | 168.2 | 5.7 | 110.6 | V334 V338 | V334-R336 PolarHBondContact O-N 3.07Å; R336-V338 PolarHBondContact O-N 3.03Å | ||
| 337 | F | 51.2 | Low | 48.6 | Very low | 162 Ų | 162 | 163.4 Ų | 163.4 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -84.2 | 97.6 | 173.1 | -94.8 | -80.3 | 0 | 0 | 0 | 111.4 | R335 | R335-F337 VanDerWaalsContact C-N 3.26Å; R335-F337 HydrophobicContact CB-CD2 4.05Å; R335-F337 HydrophobicContact CB-CE2 4.21Å; R335-F337 HydrophobicContact CG-CE2 4.35Å; R335-F337 PolarHBondContact O-N 2.99Å | ||
| 338 | V | 50.3 | Low | 49.4 | Very low | 121 Ų | 121 | 162.8 Ų | 162.8 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -89.7 | 104.7 | 164.2 | 174.5 | 0 | 0 | 0 | 0 | 108 | R336 | R336-V338 PolarHBondContact O-N 3.03Š| ||
| 339 | L | 48 | Very low | 49.7 | Very low | 142 Ų | 142 | 166 Ų | 166 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 179.5 | 140.5 | 163.9 | -95.2 | 142.3 | 0 | 0 | 0 | 106.1 | ||||
| 340 | K | 48.7 | Very low | 49.8 | Very low | 183 Ų | 183 | 165.4 Ų | 165.4 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | cis | -149.1 | 128.8 | 12.4 | -168.3 | 158.3 | -172.3 | 164.5 | 0 | 109.9 | R342 | K340-R342 PolarHBondContact O-N 2.65Š| ||
| 341 | R | 44.3 | Very low | 49.9 | Very low | 209 Ų | 209 | 165 Ų | 165 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | trans | -61.1 | 125.1 | 170.8 | -170.9 | -173.1 | -161.1 | 138.2 | 8.1 | 108.8 | E343 | R341-E343 WeakPolarHBondContact CD-OE2 3.37Å; R341-E343 IonicContact NE-OE2 3.18Å; R341-E343 PolarHBondContact NE-OE2 3.29Å | ||
| 342 | R | 51.6 | Low | 50.2 | Low | 233 Ų | 233 | 167.2 Ų | 167.2 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -119.4 | 104 | 167.9 | -137.6 | 176.2 | -176.2 | 170.2 | -0.1 | 108.3 | K340 T344 | K340-R342 PolarHBondContact O-N 2.65Å; R342-T344 PolarHBondContact O-N 3.31Å | ||
| 343 | E | 50.2 | Low | 50.8 | Low | 129 Ų | 129 | 166 Ų | 166 | 60% | 0.603 | 78% | 0.782 | S | S | * | * | trans | -64 | 117.6 | -178.1 | -143.8 | 80.6 | -177.7 | 0 | 0 | 109.8 | R341 | R341-E343 WeakPolarHBondContact CD-OE2 3.37Å; R341-E343 IonicContact NE-OE2 3.18Å; R341-E343 PolarHBondContact NE-OE2 3.29Å | ||
| 344 | T | 60.2 | Low | 51 | Low | 135 Ų | 135 | 163.6 Ų | 163.6 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | trans | -126 | 99.3 | 163 | 44.7 | 0 | 0 | 0 | 0 | 109.5 | R342 R346 | R342-T344 PolarHBondContact O-N 3.31Å; T344-R346 PolarHBondContact O-N 2.71Å | ||
| 345 | N | 50.1 | Low | 51.7 | Low | 145 Ų | 145 | 167.3 Ų | 167.3 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -58.5 | 119.2 | 171.8 | -93.4 | -83.4 | 0 | 0 | 0 | 110.7 | ||||
| 346 | R | 54.6 | Low | 52.1 | Low | 248 Ų | 248 | 166.6 Ų | 166.6 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | -161.3 | 140.3 | 142.1 | -104.1 | 148.9 | -161.7 | -146.1 | 3.8 | 111.6 | T344 | T344-R346 PolarHBondContact O-N 2.71Š| ||
| 347 | R | 54.6 | Low | 52.9 | Low | 233 Ų | 233 | 164 Ų | 164 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -67.6 | 153.1 | -163 | -61.8 | 168.4 | 173.9 | -177.8 | -4.9 | 113.2 | ||||
| 348 | P | 60.7 | Low | 53.2 | Low | 120 Ų | 120 | 163 Ų | 163 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -67.6 | 131.6 | 163.8 | 30.3 | -33.2 | 0 | 0 | 0 | 110.1 | V350 | P348-V350 PolarHBondContact O-N 2.83Š| ||
| 349 | L | 52.3 | Low | 53.6 | Low | 158 Ų | 158 | 165.5 Ų | 165.5 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -80.3 | 112.9 | 171.1 | -75.2 | 168.3 | 0 | 0 | 0 | 109.5 | ||||
| 350 | V | 50.9 | Low | 54.2 | Low | 129 Ų | 129 | 167.8 Ų | 167.8 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -83.2 | 107.4 | 161.8 | 177.8 | 0 | 0 | 0 | 0 | 107.1 | P348 | P348-V350 PolarHBondContact O-N 2.83Š| ||
| 351 | L | 50.9 | Low | 54.4 | Low | 142 Ų | 142 | 168.8 Ų | 168.8 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -98.6 | 121.3 | 172.1 | -131.1 | 83.8 | 0 | 0 | 0 | 109.7 | I353 | L351-I353 HydrophobicContact CD2-CD1 4.41Š| ||
| 352 | Q | 52.7 | Low | 54.7 | Low | 180 Ų | 180 | 162 Ų | 162 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | -123 | 97.9 | -179.1 | 178 | 169.6 | -48.2 | 0 | 0 | 110.2 | ||||
| 353 | I | 56.8 | Low | 54.7 | Low | 161 Ų | 161 | 162.4 Ų | 162.4 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -152 | 134.9 | 175.2 | -46.3 | 176.2 | 0 | 0 | 0 | 106.1 | L351 | L351-I353 HydrophobicContact CD2-CD1 4.41Š| ||
| 354 | G | 49.8 | Very low | 55 | Low | 70 Ų | 70 | 161.6 Ų | 161.6 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | cis | -167.4 | 172 | -3.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 355 | K | 55.8 | Low | 54.6 | Low | 207 Ų | 207 | 164.1 Ų | 164.1 | 90% | 0.9 | 81% | 0.809 | S | S | * | * | trans | -82.5 | -169.6 | -177.8 | -65.7 | -175 | 174.7 | -177.2 | 0 | 113.2 | ||||
| 356 | Q | 57.9 | Low | 54.7 | Low | 162 Ų | 162 | 160.1 Ų | 160.1 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | trans | 97.1 | 135.2 | 173.8 | -49.9 | -73.5 | 0.6 | 0 | 0 | 112.3 | ||||
| 357 | K | 59.2 | Low | 54.9 | Low | 176 Ų | 176 | 155.4 Ų | 155.4 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | cis | -156 | 168.7 | 4.7 | -109.7 | 160 | -167.5 | -175.4 | 0 | 112.3 | ||||
| 358 | D | 58.1 | Low | 54.9 | Low | 141 Ų | 141 | 152.3 Ų | 152.3 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -78.7 | 153.1 | -172.8 | -46.1 | -101.5 | 0 | 0 | 0 | 117 | ||||
| 359 | L | 59.1 | Low | 54.7 | Low | 172 Ų | 172 | 157.4 Ų | 157.4 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | -172.7 | 90.5 | 152.1 | -96.6 | 136.7 | 0 | 0 | 0 | 107.1 | ||||
| 360 | K | 59 | Low | 55.2 | Low | 190 Ų | 190 | 155.4 Ų | 155.4 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | 64.3 | 141 | 82.3 | -85.3 | -171.2 | 175.4 | 179.5 | 0 | 116.2 | |||||
| 361 | E | 54.5 | Low | 55.9 | Low | 204 Ų | 204 | 154.8 Ų | 154.8 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | trans | 76.8 | 133.3 | 179.9 | -52.6 | -176.4 | -172 | 0 | 0 | 115.8 | ||||
| 362 | G | 50.3 | Low | 56.6 | Low | 68 Ų | 68 | 157.9 Ų | 157.9 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | cis | 153.6 | 129.2 | -14 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 363 | R | 50.3 | Low | 57.4 | Low | 240 Ų | 240 | 158.9 Ų | 158.9 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | 64.6 | 156.4 | 165.8 | -67.6 | -175.5 | -164.3 | -147.4 | 2.2 | 114.9 | ||||
| 364 | L | 56.6 | Low | 57.4 | Low | 112 Ų | 112 | 158.8 Ų | 158.8 | 59% | 0.586 | 82% | 0.819 | S | S | * | * | cis | -165.6 | 156.4 | 0.3 | -119 | 168.9 | 0 | 0 | 0 | 108.1 | ||||
| 365 | F | 51.6 | Low | 57.8 | Low | 189 Ų | 189 | 163.5 Ų | 163.5 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | trans | 60.3 | 142.6 | 169.8 | -52.2 | -67.1 | 0 | 0 | 0 | 117.4 | ||||
| 366 | G | 53.9 | Low | 57.9 | Low | 61 Ų | 61 | 161.1 Ų | 161.1 | 63% | 0.629 | 82% | 0.82 | S | S | * | * | cis | 110.4 | 82.6 | 2.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 367 | N | 58.4 | Low | 57.9 | Low | 149 Ų | 149 | 161 Ų | 161 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | 171.3 | 163.4 | 166.4 | -96 | -24 | 0 | 0 | 0 | 110.2 | ||||
| 368 | F | 53.6 | Low | 57.8 | Low | 167 Ų | 167 | 160.1 Ų | 160.1 | 73% | 0.732 | 83% | 0.828 | S | S | * | * | cis | -143.6 | 86.5 | -12.1 | -143.9 | -59 | 0 | 0 | 0 | 112.1 | ||||
| 369 | R | 58.1 | Low | 57.8 | Low | 228 Ų | 228 | 161.3 Ų | 161.3 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | trans | 18.7 | 110.5 | 143.6 | -172.1 | -170.4 | -161.8 | -135.7 | 6.6 | 119.5 | ||||
| 370 | S | 61.9 | Low | 57.7 | Low | 115 Ų | 115 | 160.6 Ų | 160.6 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -170.1 | 120.5 | 138.1 | 50.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 371 | P | 65.7 | Low | 57.6 | Low | 117 Ų | 117 | 158.3 Ų | 158.3 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -132.8 | 152.4 | 152.2 | 37.8 | -26.9 | 0 | 0 | 0 | 112.6 | ||||
| 372 | K | 65.5 | Low | 57.9 | Low | 206 Ų | 206 | 154.5 Ų | 154.5 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | trans | 168.5 | 155.3 | 157.7 | -103.4 | 172.6 | -176 | -171.9 | 0 | 111 | ||||
| 373 | P | 68.8 | Low | 58.6 | Low | 202 Ų | 202 | 162.4 Ų | 162.4 | 100% | 1.312 | 83% | 0.828 | S | S | * | * | cis | -91.2 | 0 | -33.2 | 36.4 | -29.4 | 0 | 0 | 0 | 112.1 |
Retrieved 373 of 373 residues in 77.3 ms
(Link to these results)