| 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 | 25.3 | Very low | 33.8 | Very low | 138 Ų | 138 | 70.8 Ų | 70.8 | 68% | 0.68 | 39% | 0.385 | S | S | * | . | 0 | -55.1 | 0 | -76.9 | -176 | 177.7 | 0 | 0 | 116.8 | T3 C4 E615 | M1-T3 PolarHBondContact O-N 2.75Å; M1-C4 PolarHBondContact O-N 3.2Å; M1-E615 PolarHBondContact N-OE2 2.85Å | |||
| 2 | S | 26.3 | Very low | 34.2 | Very low | 112 Ų | 112 | 70.4 Ų | 70.4 | 78% | 0.783 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -2.6 | -175.2 | 58.1 | 0 | 0 | 0 | 0 | 116.6 | ||
| 3 | T | 30.8 | Very low | 34 | Very low | 44 Ų | 44 | 77.3 Ų | 77.3 | 27% | 0.27 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 7.5 | -172.1 | 26.8 | 0 | 0 | 0 | 0 | 112.6 | M1 R10 R613 | M1-T3 PolarHBondContact O-N 2.75Å; T3-R10 VanDerWaalsContact CB-NH2 3.33Å; T3-R10 PolarHBondContact O-NH2 2.96Å; T3-R613 PolarHBondContact OG1-NH1 3.18Å |
| 4 | C | 40.7 | Very low | 33.6 | Very low | 25 Ų | 25 | 77.4 Ų | 77.4 | 17% | 0.169 | 45% | 0.45 | C | S | . | . | trans | -94.2 | -13.5 | -176.1 | -69 | 0 | 0 | 0 | 0 | 115.6 | M1 C616 L619 | M1-C4 PolarHBondContact O-N 3.2Å; C4-C616 WeakPolarHBondContact CA-SG 3.28Å; C4-C616 HydrophobicContact CB-CB 3.64Å; C4-C616 WeakPolarHBondContact CB-SG 3.25Å; C4-C616 WeakPolarHBondContact SG-CA 3.45Å; C4-C616 WeakPolarHBondContact SG-CB 3.39Å; C4-C616 CovalentContact SG-SG 2.05Å; C4-C616 PolarHBondContact SG-SG 3.13Å; C4-L619 HydrophobicContact CB-CD2 3.66Å | ||
| 5 | A | 34.6 | Very low | 33.5 | Very low | 22 Ų | 22 | 75.8 Ų | 75.8 | 18% | 0.182 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -68.9 | 143.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | H7 R10 | A5-H7 PolarHBondContact O-N 2.81Å; A5-R10 HydrophobicContact CB-CG 4.2Å |
| 6 | P | 37.1 | Very low | 33.5 | Very low | 51 Ų | 51 | 84.3 Ų | 84.3 | 33% | 0.331 | 48% | 0.475 | S | S | . | . | trans | -49.3 | 138.2 | 166.3 | -16.5 | 25.4 | 0 | 0 | 0 | 108 | S8 Y9 | P6-S8 PolarHBondContact O-N 2.89Å; P6-Y9 HydrophobicContact CB-CD2 4.14Å; P6-Y9 HydrophobicContact CG-CD2 3.94Å; P6-Y9 HydrophobicContact CG-CE2 4.41Å; P6-Y9 PolarHBondContact O-N 3.34Å | ||
| 7 | H | 33.8 | Very low | 33.7 | Very low | 106 Ų | 106 | 88.9 Ų | 88.9 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -50.6 | -26.9 | -174 | -106 | -78.9 | 0 | 0 | 0 | 113.6 | A5 Y9 R10 | A5-H7 PolarHBondContact O-N 2.81Å; H7-Y9 VanDerWaalsContact C-N 3.29Å; H7-Y9 PolarHBondContact O-N 3.23Å; H7-R10 PolarHBondContact O-N 3.23Å |
| 8 | S | 38.7 | Very low | 33.7 | Very low | 14 Ų | 14 | 93.2 Ų | 93.2 | 10% | 0.098 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -62.5 | -28.3 | 174 | 65.8 | 0 | 0 | 0 | 0 | 114.5 | P6 | P6-S8 PolarHBondContact O-N 2.89Å |
| 9 | Y | 36.8 | Very low | 34.1 | Very low | 29 Ų | 29 | 92.1 Ų | 92.1 | 11% | 0.114 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -90.5 | -17.4 | 180 | -73.8 | -90.8 | 0 | 0 | 0 | 113.4 | P6 H7 E22 K528 N628 | P6-Y9 HydrophobicContact CB-CD2 4.14Å; P6-Y9 HydrophobicContact CG-CD2 3.94Å; P6-Y9 HydrophobicContact CG-CE2 4.41Å; P6-Y9 PolarHBondContact O-N 3.34Å; H7-Y9 VanDerWaalsContact C-N 3.29Å; H7-Y9 PolarHBondContact O-N 3.23Å; Y9-E22 HydrophobicContact CE1-CB 4.45Å; Y9-K528 HydrophobicContact CD1-CD 4.3Å; Y9-K528 HydrophobicContact CE1-CD 4.11Å; Y9-N628 PolarHBondContact OH-ND2 3.02Å |
| 10 | R | 35.7 | Very low | 35 | Very low | 98 Ų | 98 | 90.4 Ų | 90.4 | 37% | 0.37 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.6 | -36.2 | 178.1 | -77.2 | -163.6 | -162.3 | 163.7 | 8.8 | 114.2 | T3 A5 H7 V12 | T3-R10 VanDerWaalsContact CB-NH2 3.33Å; T3-R10 PolarHBondContact O-NH2 2.96Å; A5-R10 HydrophobicContact CB-CG 4.2Å; H7-R10 PolarHBondContact O-N 3.23Å; R10-V12 PolarHBondContact O-N 3.32Å |
| 11 | N | 32.5 | Very low | 36 | Very low | 140 Ų | 140 | 87.7 Ų | 87.7 | 75% | 0.749 | 49% | 0.486 | S | S | * | . | trans | -82.9 | 43.6 | -163.5 | -90.9 | 2.9 | 0 | 0 | 0 | 115.1 | ||||
| 12 | V | 38.6 | Very low | 38.1 | Very low | 66 Ų | 66 | 82.4 Ų | 82.4 | 40% | 0.4 | 46% | 0.46 | S | S | . | . | trans | -129 | 84.6 | 170.5 | -168.3 | 0 | 0 | 0 | 0 | 109.8 | R10 G14 S15 | R10-V12 PolarHBondContact O-N 3.32Å; V12-G14 PolarHBondContact O-N 3.36Å; V12-S15 VanDerWaalsContact CG1-OG 3.25Å; V12-S15 WeakPolarHBondContact CG1-OG 3.45Å | ||
| 13 | N | 30.8 | Very low | 40.3 | Very low | 160 Ų | 160 | 77.1 Ų | 77.1 | 86% | 0.856 | 42% | 0.423 | S | S | * | . | trans | -53.2 | 117.4 | 161.6 | -75.9 | -16 | 0 | 0 | 0 | 109.4 | S15 | N13-S15 VanDerWaalsContact C-N 3.28Å; N13-S15 PolarHBondContact O-N 2.73Å | ||
| 14 | G | 29.4 | Very low | 42.8 | Very low | 79 Ų | 79 | 75.2 Ų | 75.2 | 81% | 0.814 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 63.8 | 2.4 | 144 | 0 | 0 | 0 | 0 | 0 | 120.2 | V12 K16 | V12-G14 PolarHBondContact O-N 3.36Å; G14-K16 PolarHBondContact O-N 3Å; G14-K16 VanDerWaalsContact O-N 3.13Å |
| 15 | S | 31.5 | Very low | 44.8 | Very low | 53 Ų | 53 | 76.2 Ų | 76.2 | 37% | 0.371 | 42% | 0.417 | S | S | . | . | trans | -80.3 | 103.5 | -179.9 | 66 | 0 | 0 | 0 | 0 | 111.1 | V12 N13 Y17 | V12-S15 VanDerWaalsContact CG1-OG 3.25Å; V12-S15 WeakPolarHBondContact CG1-OG 3.45Å; N13-S15 VanDerWaalsContact C-N 3.28Å; N13-S15 PolarHBondContact O-N 2.73Å; S15-Y17 VanDerWaalsContact CB-CD2 3.45Å; S15-Y17 PolarHBondContact O-N 2.94Å; S15-Y17 VanDerWaalsContact OG-CD2 3.28Å; S15-Y17 WeakPolarHBondContact OG-CD2 3.45Å | ||
| 16 | K | 32.9 | Very low | 47.1 | Very low | 212 Ų | 212 | 76.8 Ų | 76.8 | 92% | 0.922 | 42% | 0.416 | S | S | * | . | trans | -59.2 | 52.1 | 168.9 | -77.9 | 179.7 | 168.7 | 177 | 0 | 113.2 | G14 | G14-K16 PolarHBondContact O-N 3Å; G14-K16 VanDerWaalsContact O-N 3.13Å | ||
| 17 | Y | 36.7 | Very low | 49.4 | Very low | 163 Ų | 163 | 74.3 Ų | 74.3 | 64% | 0.639 | 40% | 0.4 | S | S | * | . | trans | -80.7 | 134.7 | 166.9 | -64.9 | -68.6 | 0 | 0 | 0 | 108.1 | S15 L19 G20 | S15-Y17 VanDerWaalsContact CB-CD2 3.45Å; S15-Y17 PolarHBondContact O-N 2.94Å; S15-Y17 VanDerWaalsContact OG-CD2 3.28Å; S15-Y17 WeakPolarHBondContact OG-CD2 3.45Å; Y17-L19 PolarHBondContact O-N 2.94Å; Y17-G20 PolarHBondContact O-N 3.46Å | ||
| 18 | I | 33.8 | Very low | 52.1 | Low | 166 Ų | 166 | 72.1 Ų | 72.1 | 85% | 0.851 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -14.9 | 165.7 | -68.6 | 164.5 | 0 | 0 | 0 | 111.6 | G20 | I18-G20 VanDerWaalsContact C-N 3.28Å; I18-G20 PolarHBondContact O-N 3.38Å |
| 19 | L | 42.1 | Very low | 54.5 | Low | 72 Ų | 72 | 75.8 Ų | 75.8 | 38% | 0.377 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 5.6 | 172.7 | -64.9 | 153.5 | 0 | 0 | 0 | 114.2 | Y17 F21 P25 F26 | Y17-L19 PolarHBondContact O-N 2.94Å; L19-F21 PolarHBondContact O-N 2.96Å; L19-F21 VanDerWaalsContact O-N 3.15Å; L19-P25 HydrophobicContact CD2-CB 4.21Å; L19-F26 HydrophobicContact CD1-CD2 4.48Å; L19-F26 HydrophobicContact CD2-CB 3.69Å; L19-F26 HydrophobicContact CD2-CD2 4.26Å; L19-F26 HydrophobicContact CD2-CG 4.5Å |
| 20 | G | 51.2 | Low | 56.9 | Low | 58 Ų | 58 | 75.5 Ų | 75.5 | 60% | 0.598 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -4.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y17 I18 E22 | Y17-G20 PolarHBondContact O-N 3.46Å; I18-G20 VanDerWaalsContact C-N 3.28Å; I18-G20 PolarHBondContact O-N 3.38Å; G20-E22 PolarHBondContact O-N 3.1Å |
| 21 | F | 57.4 | Low | 59.6 | Low | 33 Ų | 33 | 70.8 Ų | 70.8 | 15% | 0.145 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 58.7 | 179.3 | -156.8 | -99.8 | 0 | 0 | 0 | 112.6 | L19 G23 V24 P25 E131 F132 I135 I701 | L19-F21 PolarHBondContact O-N 2.96Å; L19-F21 VanDerWaalsContact O-N 3.15Å; F21-G23 PolarHBondContact O-N 2.91Å; F21-V24 HydrophobicContact CD1-CB 4.08Å; F21-V24 HydrophobicContact CD1-CG2 4.29Å; F21-V24 PolarHBondContact O-N 2.8Å; F21-P25 HydrophobicContact CB-CG 4.09Å; F21-E131 HydrophobicContact CD2-CB 3.94Å; F21-E131 HydrophobicContact CE2-CB 4.26Å; F21-F132 AromaticContact CD1-CD2 3.77Å; F21-F132 HydrophobicContact CD1-CD2 3.77Å; F21-F132 HydrophobicContact CD2-CB 4.07Å; F21-F132 AromaticContact CE1-CD2 3.45Å; F21-F132 HydrophobicContact CE1-CD2 3.45Å; F21-F132 VanDerWaalsContact CE1-CD2 3.45Å; F21-F132 HydrophobicContact CE1-CE2 4.11Å; F21-F132 HydrophobicContact CE1-CG 4.49Å; F21-F132 HydrophobicContact CE2-CB 4.11Å; F21-F132 HydrophobicContact CE2-CD2 4.34Å; F21-F132 HydrophobicContact CG-CB 4.29Å; F21-F132 HydrophobicContact CG-CD2 4.37Å; F21-F132 HydrophobicContact CZ-CB 4.38Å; F21-F132 AromaticContact CZ-CD2 3.77Å; F21-F132 HydrophobicContact CZ-CD2 3.77Å; F21-I135 HydrophobicContact CE1-CD1 4.07Å; F21-I135 HydrophobicContact CE2-CD1 4.48Å; F21-I135 HydrophobicContact CE2-CG1 4.38Å; F21-I135 HydrophobicContact CZ-CD1 3.45Å; F21-I135 VanDerWaalsContact CZ-CD1 3.45Å; F21-I135 HydrophobicContact CZ-CG1 3.75Å; F21-I701 HydrophobicContact CE1-CD1 4.28Å |
| 22 | E | 68.6 | Low | 62.4 | Low | 28 Ų | 28 | 66.4 Ų | 66.4 | 13% | 0.131 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 27 | -176.2 | -62.9 | -150.3 | -161.1 | 0 | 0 | 114.8 | Y9 G20 V24 F132 A624 N628 | Y9-E22 HydrophobicContact CE1-CB 4.45Å; G20-E22 PolarHBondContact O-N 3.1Å; E22-V24 VanDerWaalsContact C-N 3.29Å; E22-V24 PolarHBondContact O-N 3.21Å; E22-F132 HydrophobicContact CB-CG 4.44Å; E22-F132 HydrophobicContact CG-CB 4Å; E22-F132 HydrophobicContact CG-CD1 3.96Å; E22-F132 HydrophobicContact CG-CG 3.97Å; E22-F132 WeakPolarHBondContact OE1-CD1 3.3Å; E22-A624 HydrophobicContact CB-CB 3.61Å; E22-A624 HydrophobicContact CG-CB 4.15Å; E22-A624 WeakPolarHBondContact OE2-CB 3.48Å; E22-N628 PolarHBondContact O-ND2 3.2Å |
| 23 | G | 72.6 | Confident | 65 | Low | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 5.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | F21 F26 N27 | F21-G23 PolarHBondContact O-N 2.91Å; G23-F26 WeakPolarHBondContact O-CB 3.47Å; G23-F26 PolarHBondContact O-N 2.67Å; G23-N27 VanDerWaalsContact O-CB 3.22Å; G23-N27 WeakPolarHBondContact O-CB 3.4Å; G23-N27 PolarHBondContact O-N 2.64Å |
| 24 | V | 82.6 | Confident | 67.8 | Low | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.024 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.4 | -50.1 | -179.8 | 175.6 | 0 | 0 | 0 | 0 | 112.4 | F21 E22 F26 N27 L28 I627 N628 I631 F705 | F21-V24 HydrophobicContact CD1-CB 4.08Å; F21-V24 HydrophobicContact CD1-CG2 4.29Å; F21-V24 PolarHBondContact O-N 2.8Å; E22-V24 VanDerWaalsContact C-N 3.29Å; E22-V24 PolarHBondContact O-N 3.21Å; V24-F26 VanDerWaalsContact C-N 3.3Å; V24-F26 PolarHBondContact O-N 3.02Å; V24-N27 PolarHBondContact O-N 2.89Å; V24-L28 WeakPolarHBondContact O-CB 3.43Å; V24-L28 PolarHBondContact O-N 3.21Å; V24-I627 HydrophobicContact CB-CG2 4.46Å; V24-I627 HydrophobicContact CG1-CG2 3.74Å; V24-I627 HydrophobicContact CG2-CB 4.41Å; V24-I627 HydrophobicContact CG2-CG2 3.84Å; V24-N628 WeakPolarHBondContact CA-OD1 3.48Å; V24-I631 HydrophobicContact CG1-CD1 3.74Å; V24-F705 HydrophobicContact CG1-CE2 3.91Å; V24-F705 HydrophobicContact CG1-CZ 4.03Å |
| 25 | P | 83.9 | Confident | 70.8 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 30% | 0.299 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.3 | -37 | 178.3 | -17.9 | 31.4 | 0 | 0 | 0 | 111.6 | L19 F21 L28 V29 | L19-P25 HydrophobicContact CD2-CB 4.21Å; F21-P25 HydrophobicContact CB-CG 4.09Å; P25-L28 PolarHBondContact O-N 3.06Å; P25-V29 WeakPolarHBondContact O-CG2 3.45Å; P25-V29 PolarHBondContact O-N 3.49Å |
| 26 | F | 83.3 | Confident | 73.7 | Confident | 34 Ų | 34 | 60.5 Ų | 60.5 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 176.4 | -178.4 | -95.7 | 0 | 0 | 0 | 111.4 | L19 G23 V24 L28 V29 V30 P524 F525 K528 W529 | L19-F26 HydrophobicContact CD1-CD2 4.48Å; L19-F26 HydrophobicContact CD2-CB 3.69Å; L19-F26 HydrophobicContact CD2-CD2 4.26Å; L19-F26 HydrophobicContact CD2-CG 4.5Å; G23-F26 WeakPolarHBondContact O-CB 3.47Å; G23-F26 PolarHBondContact O-N 2.67Å; V24-F26 VanDerWaalsContact C-N 3.3Å; V24-F26 PolarHBondContact O-N 3.02Å; F26-L28 VanDerWaalsContact C-N 3.31Å; F26-L28 PolarHBondContact O-N 3.45Å; F26-V29 PolarHBondContact O-N 2.94Å; F26-V30 HydrophobicContact CD1-CG2 4.17Å; F26-V30 HydrophobicContact CE1-CG2 3.69Å; F26-V30 HydrophobicContact CE2-CG2 4.2Å; F26-V30 HydrophobicContact CZ-CG2 3.71Å; F26-V30 WeakPolarHBondContact O-CG2 3.37Å; F26-V30 PolarHBondContact O-N 3.38Å; F26-P524 HydrophobicContact CE2-CB 4.21Å; F26-P524 HydrophobicContact CE2-CG 4.43Å; F26-P524 HydrophobicContact CZ-CB 4.4Å; F26-F525 HydrophobicContact CE1-CB 4.31Å; F26-F525 HydrophobicContact CE1-CD2 4.2Å; F26-F525 HydrophobicContact CZ-CB 3.94Å; F26-F525 HydrophobicContact CZ-CD2 4Å; F26-F525 HydrophobicContact CZ-CG 4.45Å; F26-K528 HydrophobicContact CD1-CB 4.26Å; F26-W529 HydrophobicContact CD1-CB 4.34Å; F26-W529 HydrophobicContact CE1-CB 3.93Å |
| 27 | N | 85.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.3 | -37 | -179.8 | -170.3 | 17.2 | 0 | 0 | 0 | 111.8 | G23 V24 N31 N628 | G23-N27 VanDerWaalsContact O-CB 3.22Å; G23-N27 WeakPolarHBondContact O-CB 3.4Å; G23-N27 PolarHBondContact O-N 2.64Å; V24-N27 PolarHBondContact O-N 2.89Å; N27-N31 VanDerWaalsContact O-CB 3.31Å; N27-N31 WeakPolarHBondContact O-CB 3.34Å; N27-N31 PolarHBondContact O-N 3.27Å; N27-N31 PolarHBondContact O-ND2 3.37Å; N27-N31 VanDerWaalsContact O-ND2 3.11Å; N27-N31 PolarHBondContact OD1-ND2 3.03Å; N27-N628 WeakPolarHBondContact CB-OD1 3.3Å; N27-N628 WeakPolarHBondContact ND2-CA 3.39Å; N27-N628 WeakPolarHBondContact ND2-CB 3.07Å; N27-N628 VanDerWaalsContact ND2-CG 3.3Å; N27-N628 PolarHBondContact ND2-O 3.07Å; N27-N628 PolarHBondContact ND2-OD1 3.44Å |
| 28 | L | 89.1 | Confident | 79.2 | Confident | 59 Ų | 59 | 47 Ų | 47 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.4 | -52.7 | 172.1 | -176.5 | 64.9 | 0 | 0 | 0 | 111.4 | V24 P25 F26 V30 N31 S32 I631 L635 F705 | V24-L28 WeakPolarHBondContact O-CB 3.43Å; V24-L28 PolarHBondContact O-N 3.21Å; P25-L28 PolarHBondContact O-N 3.06Å; F26-L28 VanDerWaalsContact C-N 3.31Å; F26-L28 PolarHBondContact O-N 3.45Å; L28-V30 PolarHBondContact O-N 3.15Å; L28-N31 PolarHBondContact O-N 3.13Å; L28-S32 VanDerWaalsContact O-CB 3.28Å; L28-S32 WeakPolarHBondContact O-CB 3.35Å; L28-S32 PolarHBondContact O-N 3.22Å; L28-S32 PolarHBondContact O-OG 2.73Å; L28-I631 HydrophobicContact CB-CG2 4.39Å; L28-I631 HydrophobicContact CD1-CG2 4.02Å; L28-L635 HydrophobicContact CD1-CD1 3.92Å; L28-F705 HydrophobicContact CD1-CE1 4.05Å; L28-F705 HydrophobicContact CD2-CE1 4.11Å |
| 29 | V | 89.4 | Confident | 81.7 | Confident | 92 Ų | 92 | 41.9 Ų | 41.9 | 56% | 0.558 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -59.9 | -45.4 | -179.5 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | P25 F26 S33 | P25-V29 WeakPolarHBondContact O-CG2 3.45Å; P25-V29 PolarHBondContact O-N 3.49Å; F26-V29 PolarHBondContact O-N 2.94Å; V29-S33 WeakPolarHBondContact O-CB 3.27Å; V29-S33 PolarHBondContact O-N 3.16Å; V29-S33 PolarHBondContact O-OG 2.99Å |
| 30 | V | 88 | Confident | 83.9 | Confident | 22 Ų | 22 | 40 Ų | 40 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -50.8 | 179.4 | 172 | 0 | 0 | 0 | 0 | 110.7 | F26 L28 S32 S33 I34 F525 W529 | F26-V30 HydrophobicContact CD1-CG2 4.17Å; F26-V30 HydrophobicContact CE1-CG2 3.69Å; F26-V30 HydrophobicContact CE2-CG2 4.2Å; F26-V30 HydrophobicContact CZ-CG2 3.71Å; F26-V30 WeakPolarHBondContact O-CG2 3.37Å; F26-V30 PolarHBondContact O-N 3.38Å; L28-V30 PolarHBondContact O-N 3.15Å; V30-S32 VanDerWaalsContact C-N 3.34Å; V30-S32 PolarHBondContact O-N 2.8Å; V30-S33 WeakPolarHBondContact O-CB 3.34Å; V30-S33 PolarHBondContact O-N 3.22Å; V30-I34 HydrophobicContact CG1-CD1 3.8Å; V30-I34 HydrophobicContact CG1-CG1 4.5Å; V30-I34 WeakPolarHBondContact O-CG1 3.29Å; V30-I34 PolarHBondContact O-N 3.46Å; V30-F525 HydrophobicContact CG1-CE2 3.85Å; V30-F525 HydrophobicContact CG2-CD2 4.41Å; V30-W529 HydrophobicContact CG1-CD2 4.23Å; V30-W529 HydrophobicContact CG1-CG 4.05Å |
| 31 | N | 91.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.1 | -33.4 | -178.6 | -71.9 | -36.9 | 0 | 0 | 0 | 112.7 | N27 L28 S33 I34 F35 W529 I631 T632 L635 | N27-N31 VanDerWaalsContact O-CB 3.31Å; N27-N31 WeakPolarHBondContact O-CB 3.34Å; N27-N31 PolarHBondContact O-N 3.27Å; N27-N31 PolarHBondContact O-ND2 3.37Å; N27-N31 VanDerWaalsContact O-ND2 3.11Å; N27-N31 PolarHBondContact OD1-ND2 3.03Å; L28-N31 PolarHBondContact O-N 3.13Å; N31-S33 VanDerWaalsContact C-N 3.34Å; N31-I34 PolarHBondContact O-N 2.99Å; N31-F35 WeakPolarHBondContact O-CB 3.41Å; N31-F35 PolarHBondContact O-N 3.16Å; N31-W529 PolarHBondContact OD1-NE1 3.49Å; N31-I631 HydrophobicContact CB-CG2 4.43Å; N31-T632 WeakPolarHBondContact ND2-CA 3.09Å; N31-T632 PolarHBondContact ND2-OG1 2.73Å; N31-L635 HydrophobicContact CB-CB 3.75Å; N31-L635 HydrophobicContact CB-CD1 3.86Å; N31-L635 HydrophobicContact CB-CG 4.47Å |
| 32 | S | 92.8 | Very high | 86.9 | Confident | 47 Ų | 47 | 39.9 Ų | 39.9 | 33% | 0.329 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 172.7 | -69.9 | 0 | 0 | 0 | 0 | 111.2 | L28 V30 F35 V36 L635 | L28-S32 VanDerWaalsContact O-CB 3.28Å; L28-S32 WeakPolarHBondContact O-CB 3.35Å; L28-S32 PolarHBondContact O-N 3.22Å; L28-S32 PolarHBondContact O-OG 2.73Å; V30-S32 VanDerWaalsContact C-N 3.34Å; V30-S32 PolarHBondContact O-N 2.8Å; S32-F35 PolarHBondContact O-N 3.43Å; S32-V36 WeakPolarHBondContact O-CG2 3.48Å; S32-V36 PolarHBondContact O-N 3.37Å; S32-V36 VanDerWaalsContact O-N 3.1Å; S32-L635 WeakPolarHBondContact OG-CD1 3.4Å |
| 33 | S | 92 | Very high | 87.5 | Confident | 68 Ų | 68 | 42 Ų | 42 | 48% | 0.476 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | V29 V30 N31 F35 V36 V37 | V29-S33 WeakPolarHBondContact O-CB 3.27Å; V29-S33 PolarHBondContact O-N 3.16Å; V29-S33 PolarHBondContact O-OG 2.99Å; V30-S33 WeakPolarHBondContact O-CB 3.34Å; V30-S33 PolarHBondContact O-N 3.22Å; N31-S33 VanDerWaalsContact C-N 3.34Å; S33-F35 VanDerWaalsContact C-N 3.32Å; S33-F35 PolarHBondContact O-N 3.43Å; S33-V36 PolarHBondContact O-N 3.24Å; S33-V37 WeakPolarHBondContact O-CG2 3.14Å; S33-V37 PolarHBondContact O-N 3.24Å |
| 34 | I | 90.3 | Very high | 88.1 | Confident | 44 Ų | 44 | 46.1 Ų | 46.1 | 23% | 0.226 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61 | -42 | 175.8 | -67 | 168.3 | 0 | 0 | 0 | 110.9 | V30 N31 V36 V37 C38 W529 L636 | V30-I34 HydrophobicContact CG1-CD1 3.8Å; V30-I34 HydrophobicContact CG1-CG1 4.5Å; V30-I34 WeakPolarHBondContact O-CG1 3.29Å; V30-I34 PolarHBondContact O-N 3.46Å; N31-I34 PolarHBondContact O-N 2.99Å; I34-V36 VanDerWaalsContact C-N 3.35Å; I34-V36 PolarHBondContact O-N 2.92Å; I34-V37 CarbonylContact O-C 3.41Å; I34-V37 WeakPolarHBondContact O-CB 3.11Å; I34-V37 PolarHBondContact O-N 2.83Å; I34-C38 PolarHBondContact O-N 3.25Å; I34-C38 PolarHBondContact O-SG 3.11Å; I34-W529 HydrophobicContact CD1-CH2 4.5Å; I34-W529 HydrophobicContact CD1-CZ2 3.7Å; I34-L636 HydrophobicContact CD1-CD1 4.14Å; I34-L636 HydrophobicContact CG2-CD1 4.41Å |
| 35 | F | 92.5 | Very high | 87.9 | Confident | 21 Ų | 21 | 47.8 Ų | 47.8 | 9% | 0.092 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 178.4 | -179.3 | -102.5 | 0 | 0 | 0 | 112.2 | N31 S32 S33 V37 C38 I39 L635 I642 F712 | N31-F35 WeakPolarHBondContact O-CB 3.41Å; N31-F35 PolarHBondContact O-N 3.16Å; S32-F35 PolarHBondContact O-N 3.43Å; S33-F35 VanDerWaalsContact C-N 3.32Å; S33-F35 PolarHBondContact O-N 3.43Å; F35-V37 VanDerWaalsContact C-N 3.34Å; F35-V37 PolarHBondContact O-N 3.47Å; F35-C38 WeakPolarHBondContact O-CB 3.18Å; F35-C38 PolarHBondContact O-N 3.49Å; F35-I39 HydrophobicContact CD1-CD1 3.88Å; F35-I39 HydrophobicContact CE1-CD1 3.31Å; F35-I39 HydrophobicContact CE1-CG1 4.27Å; F35-I39 HydrophobicContact CZ-CD1 3.7Å; F35-I39 HydrophobicContact CZ-CG1 4.33Å; F35-I39 PolarHBondContact O-N 3.33Å; F35-L635 HydrophobicContact CB-CB 4.36Å; F35-L635 HydrophobicContact CB-CD2 4.45Å; F35-L635 VanDerWaalsContact CD2-O 3.29Å; F35-L635 WeakPolarHBondContact CD2-O 3.48Å; F35-L635 HydrophobicContact CG-CD2 4.38Å; F35-I642 HydrophobicContact CE2-CD1 4.11Å; F35-I642 HydrophobicContact CZ-CD1 4.46Å; F35-F712 HydrophobicContact CD1-CE1 4.32Å; F35-F712 HydrophobicContact CE1-CD1 4.08Å; F35-F712 AromaticContact CE1-CE1 3.49Å; F35-F712 HydrophobicContact CE1-CE1 3.49Å; F35-F712 VanDerWaalsContact CE1-CE1 3.49Å; F35-F712 HydrophobicContact CE1-CZ 4.33Å; F35-F712 HydrophobicContact CE2-CD1 4.11Å; F35-F712 HydrophobicContact CE2-CE1 4.34Å; F35-F712 AromaticContact CZ-CD1 3.58Å; F35-F712 HydrophobicContact CZ-CD1 3.58Å; F35-F712 AromaticContact CZ-CE1 3.5Å; F35-F712 HydrophobicContact CZ-CE1 3.5Å |
| 36 | V | 92.5 | Very high | 87.5 | Confident | 101 Ų | 101 | 47.9 Ų | 47.9 | 61% | 0.612 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 174.3 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | S32 S33 I34 C38 I39 G40 | S32-V36 WeakPolarHBondContact O-CG2 3.48Å; S32-V36 PolarHBondContact O-N 3.37Å; S32-V36 VanDerWaalsContact O-N 3.1Å; S33-V36 PolarHBondContact O-N 3.24Å; I34-V36 VanDerWaalsContact C-N 3.35Å; I34-V36 PolarHBondContact O-N 2.92Å; V36-C38 PolarHBondContact O-N 2.72Å; V36-I39 PolarHBondContact O-N 3.13Å; V36-G40 PolarHBondContact O-N 3.27Å |
| 37 | V | 92.9 | Very high | 86.9 | Confident | 86 Ų | 86 | 54.4 Ų | 54.4 | 52% | 0.521 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 174.6 | 173 | 0 | 0 | 0 | 0 | 111.3 | S33 I34 F35 I39 G40 L41 | S33-V37 WeakPolarHBondContact O-CG2 3.14Å; S33-V37 PolarHBondContact O-N 3.24Å; I34-V37 CarbonylContact O-C 3.41Å; I34-V37 WeakPolarHBondContact O-CB 3.11Å; I34-V37 PolarHBondContact O-N 2.83Å; F35-V37 VanDerWaalsContact C-N 3.34Å; F35-V37 PolarHBondContact O-N 3.47Å; V37-I39 VanDerWaalsContact C-N 3.33Å; V37-I39 PolarHBondContact O-N 3.23Å; V37-G40 PolarHBondContact O-N 2.71Å; V37-L41 HydrophobicContact CG1-CD1 3.92Å; V37-L41 HydrophobicContact CG1-CG 4.23Å; V37-L41 WeakPolarHBondContact O-CB 3.4Å; V37-L41 WeakPolarHBondContact O-CG 3.5Å; V37-L41 PolarHBondContact O-N 3.48Å |
| 38 | C | 91.7 | Very high | 86.3 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.034 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 175.9 | -70.3 | 0 | 0 | 0 | 0 | 112.1 | I34 F35 V36 Y42 L643 | I34-C38 PolarHBondContact O-N 3.25Å; I34-C38 PolarHBondContact O-SG 3.11Å; F35-C38 WeakPolarHBondContact O-CB 3.18Å; F35-C38 PolarHBondContact O-N 3.49Å; V36-C38 PolarHBondContact O-N 2.72Å; C38-Y42 VanDerWaalsContact O-CB 3.3Å; C38-Y42 WeakPolarHBondContact O-CB 3.47Å; C38-Y42 PolarHBondContact O-N 3.15Å; C38-L643 HydrophobicContact CB-CD1 4.05Å; C38-L643 HydrophobicContact CB-CG 4.27Å; C38-L643 WeakPolarHBondContact O-CD2 3.05Å |
| 39 | I | 87.2 | Confident | 85.3 | Confident | 60 Ų | 60 | 60 Ų | 60 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 173.8 | -69.2 | 172.3 | 0 | 0 | 0 | 110.7 | F35 V36 V37 L41 Y42 L43 I642 | F35-I39 HydrophobicContact CD1-CD1 3.88Å; F35-I39 HydrophobicContact CE1-CD1 3.31Å; F35-I39 HydrophobicContact CE1-CG1 4.27Å; F35-I39 HydrophobicContact CZ-CD1 3.7Å; F35-I39 HydrophobicContact CZ-CG1 4.33Å; F35-I39 PolarHBondContact O-N 3.33Å; V36-I39 PolarHBondContact O-N 3.13Å; V37-I39 VanDerWaalsContact C-N 3.33Å; V37-I39 PolarHBondContact O-N 3.23Å; I39-L41 PolarHBondContact O-N 2.64Å; I39-Y42 WeakPolarHBondContact O-CB 3.49Å; I39-Y42 PolarHBondContact O-N 3.03Å; I39-L43 HydrophobicContact CG2-CD1 4.33Å; I39-L43 WeakPolarHBondContact O-CG 3.45Å; I39-L43 PolarHBondContact O-N 2.8Å; I39-I642 HydrophobicContact CG1-CD1 4.45Å |
| 40 | G | 87.5 | Confident | 83.9 | Confident | 31 Ų | 31 | 57 Ų | 57 | 32% | 0.32 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V36 V37 Y42 L43 I44 | V36-G40 PolarHBondContact O-N 3.27Å; V37-G40 PolarHBondContact O-N 2.71Å; G40-Y42 VanDerWaalsContact C-N 3.35Å; G40-Y42 PolarHBondContact O-N 3.46Å; G40-L43 PolarHBondContact O-N 3.08Å; G40-I44 WeakPolarHBondContact O-CD1 3.36Å; G40-I44 VanDerWaalsContact O-CG1 3.31Å; G40-I44 WeakPolarHBondContact O-CG1 3.49Å; G40-I44 PolarHBondContact O-N 3.1Å |
| 41 | L | 87.9 | Confident | 82.4 | Confident | 79 Ų | 79 | 65.1 Ų | 65.1 | 41% | 0.414 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 175.5 | -74.1 | 175.2 | 0 | 0 | 0 | 112.2 | V37 I39 I44 L45 L643 | V37-L41 HydrophobicContact CG1-CD1 3.92Å; V37-L41 HydrophobicContact CG1-CG 4.23Å; V37-L41 WeakPolarHBondContact O-CB 3.4Å; V37-L41 WeakPolarHBondContact O-CG 3.5Å; V37-L41 PolarHBondContact O-N 3.48Å; I39-L41 PolarHBondContact O-N 2.64Å; L41-I44 PolarHBondContact O-N 3.27Å; L41-L45 VanDerWaalsContact O-CB 3.3Å; L41-L45 WeakPolarHBondContact O-CB 3.46Å; L41-L45 WeakPolarHBondContact O-CG 3.5Å; L41-L45 PolarHBondContact O-N 3Å; L41-L643 HydrophobicContact CB-CD2 3.74Å; L41-L643 HydrophobicContact CD1-CD1 4.5Å |
| 42 | Y | 83.4 | Confident | 81 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 4% | 0.043 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.9 | -46 | 174.6 | 169.7 | -93.7 | 0 | 0 | 0 | 111.6 | C38 I39 G40 L45 Q46 F53 I642 F719 | C38-Y42 VanDerWaalsContact O-CB 3.3Å; C38-Y42 WeakPolarHBondContact O-CB 3.47Å; C38-Y42 PolarHBondContact O-N 3.15Å; I39-Y42 WeakPolarHBondContact O-CB 3.49Å; I39-Y42 PolarHBondContact O-N 3.03Å; G40-Y42 VanDerWaalsContact C-N 3.35Å; G40-Y42 PolarHBondContact O-N 3.46Å; Y42-L45 PolarHBondContact O-N 2.78Å; Y42-Q46 VanDerWaalsContact CE1-OE1 3.31Å; Y42-Q46 VanDerWaalsContact O-CB 3.25Å; Y42-Q46 WeakPolarHBondContact O-CB 3.16Å; Y42-Q46 PolarHBondContact O-N 2.86Å; Y42-F53 HydrophobicContact CD2-CD1 4.15Å; Y42-F53 AromaticContact CD2-CE1 3.4Å; Y42-F53 HydrophobicContact CD2-CE1 3.4Å; Y42-F53 AromaticContact CD2-CZ 3.6Å; Y42-F53 HydrophobicContact CD2-CZ 3.6Å; Y42-F53 AromaticContact CE2-CD1 3.63Å; Y42-F53 HydrophobicContact CE2-CD1 3.63Å; Y42-F53 AromaticContact CE2-CE1 3.18Å; Y42-F53 HydrophobicContact CE2-CE1 3.18Å; Y42-F53 AromaticContact CE2-CZ 3.91Å; Y42-F53 HydrophobicContact CE2-CZ 3.91Å; Y42-I642 HydrophobicContact CD1-CG2 4.16Å; Y42-I642 HydrophobicContact CD2-CG2 3.28Å; Y42-I642 WeakPolarHBondContact CD2-O 3.45Å; Y42-I642 HydrophobicContact CE2-CG2 3.91Å; Y42-I642 HydrophobicContact CG-CG2 3.42Å; Y42-I642 VanDerWaalsContact CG-CG2 3.42Å; Y42-F719 WeakPolarHBondContact OH-CE1 3.27Å; Y42-F719 WeakPolarHBondContact OH-CZ 3.39Å |
| 43 | L | 82.3 | Confident | 79.4 | Confident | 71 Ų | 71 | 64.4 Ų | 64.4 | 37% | 0.372 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 178.6 | -68 | 174.6 | 0 | 0 | 0 | 111.8 | I39 G40 Q46 E47 F71 | I39-L43 HydrophobicContact CG2-CD1 4.33Å; I39-L43 WeakPolarHBondContact O-CG 3.45Å; I39-L43 PolarHBondContact O-N 2.8Å; G40-L43 PolarHBondContact O-N 3.08Å; L43-Q46 PolarHBondContact O-N 2.82Å; L43-E47 PolarHBondContact O-N 3.13Å; L43-F71 HydrophobicContact CD2-CD2 4.31Å; L43-F71 HydrophobicContact CD2-CE2 3.95Å; L43-F71 HydrophobicContact CD2-CZ 4.33Å |
| 44 | I | 83.9 | Confident | 77.7 | Confident | 87 Ų | 87 | 61.4 Ų | 61.4 | 45% | 0.446 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 176.2 | -67.4 | 162.4 | 0 | 0 | 0 | 110.8 | G40 L41 Q46 E47 I48 | G40-I44 WeakPolarHBondContact O-CD1 3.36Å; G40-I44 VanDerWaalsContact O-CG1 3.31Å; G40-I44 WeakPolarHBondContact O-CG1 3.49Å; G40-I44 PolarHBondContact O-N 3.1Å; L41-I44 PolarHBondContact O-N 3.27Å; I44-Q46 VanDerWaalsContact C-N 3.3Å; I44-Q46 PolarHBondContact O-N 3.37Å; I44-E47 PolarHBondContact O-N 3.04Å; I44-E47 VanDerWaalsContact O-N 3.1Å; I44-I48 HydrophobicContact CG2-CD1 3.58Å; I44-I48 HydrophobicContact CG2-CG1 4.32Å; I44-I48 WeakPolarHBondContact O-CG1 3.31Å; I44-I48 PolarHBondContact O-N 3.36Å |
| 45 | L | 79.2 | Confident | 76.1 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.4 | -35 | 178.7 | -73.1 | 171.1 | 0 | 0 | 0 | 112.1 | L41 Y42 E47 I49 F53 L643 I648 | L41-L45 VanDerWaalsContact O-CB 3.3Å; L41-L45 WeakPolarHBondContact O-CB 3.46Å; L41-L45 WeakPolarHBondContact O-CG 3.5Å; L41-L45 PolarHBondContact O-N 3Å; Y42-L45 PolarHBondContact O-N 2.78Å; L45-E47 VanDerWaalsContact C-N 3.28Å; L45-E47 PolarHBondContact O-N 2.72Å; L45-I49 HydrophobicContact CD2-CD1 4.18Å; L45-I49 CarbonylContact O-C 3.57Å; L45-I49 WeakPolarHBondContact O-CA 3.21Å; L45-I49 PolarHBondContact O-N 3.4Å; L45-F53 HydrophobicContact CB-CD2 4Å; L45-F53 HydrophobicContact CB-CE2 3.91Å; L45-F53 HydrophobicContact CD1-CE2 4.11Å; L45-L643 HydrophobicContact CD1-CD2 4.15Å; L45-I648 HydrophobicContact CD1-CD1 4.29Å |
| 46 | Q | 74.2 | Confident | 74.7 | Confident | 47 Ų | 47 | 59.5 Ų | 59.5 | 22% | 0.22 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.2 | -30 | 173.3 | -171.5 | -178.8 | 6.7 | 0 | 0 | 111.9 | Y42 L43 I44 G50 | Y42-Q46 VanDerWaalsContact CE1-OE1 3.31Å; Y42-Q46 VanDerWaalsContact O-CB 3.25Å; Y42-Q46 WeakPolarHBondContact O-CB 3.16Å; Y42-Q46 PolarHBondContact O-N 2.86Å; L43-Q46 PolarHBondContact O-N 2.82Å; I44-Q46 VanDerWaalsContact C-N 3.3Å; I44-Q46 PolarHBondContact O-N 3.37Å; Q46-G50 WeakPolarHBondContact O-CA 3.23Å; Q46-G50 PolarHBondContact O-N 3.19Å; Q46-G50 VanDerWaalsContact O-N 3.11Å |
| 47 | E | 71 | Confident | 72.9 | Confident | 172 Ų | 172 | 64.3 Ų | 64.3 | 80% | 0.804 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -77.2 | -44.1 | 175.8 | -169.9 | 169.1 | -163.2 | 0 | 0 | 111.9 | L43 I44 L45 | L43-E47 PolarHBondContact O-N 3.13Å; I44-E47 PolarHBondContact O-N 3.04Å; I44-E47 VanDerWaalsContact O-N 3.1Å; L45-E47 VanDerWaalsContact C-N 3.28Å; L45-E47 PolarHBondContact O-N 2.72Å |
| 48 | I | 72.6 | Confident | 71 | Confident | 129 Ų | 129 | 65.4 Ų | 65.4 | 66% | 0.662 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -73.4 | -42.9 | -178.4 | -61.2 | 170.7 | 0 | 0 | 0 | 111.4 | I44 | I44-I48 HydrophobicContact CG2-CD1 3.58Å; I44-I48 HydrophobicContact CG2-CG1 4.32Å; I44-I48 WeakPolarHBondContact O-CG1 3.31Å; I44-I48 PolarHBondContact O-N 3.36Å |
| 49 | I | 68.8 | Low | 69.1 | Low | 46 Ų | 46 | 65.7 Ų | 65.7 | 24% | 0.236 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -126.3 | 32.6 | -169.1 | -34.9 | 177.9 | 0 | 0 | 0 | 111.1 | L45 R51 E52 F53 | L45-I49 HydrophobicContact CD2-CD1 4.18Å; L45-I49 CarbonylContact O-C 3.57Å; L45-I49 WeakPolarHBondContact O-CA 3.21Å; L45-I49 PolarHBondContact O-N 3.4Å; I49-R51 PolarHBondContact O-N 3.46Å; I49-E52 HydrophobicContact CG2-CB 3.54Å; I49-E52 HydrophobicContact CG2-CG 3.59Å; I49-E52 VanDerWaalsContact CG2-OE2 3.29Å; I49-E52 WeakPolarHBondContact CG2-OE2 3.39Å; I49-E52 PolarHBondContact O-N 3.03Å; I49-F53 PolarHBondContact O-N 3.17Å; I49-F53 VanDerWaalsContact O-N 3.08Å |
| 50 | G | 59.3 | Low | 67.5 | Low | 29 Ų | 29 | 65.6 Ų | 65.6 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -51.9 | -33.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q46 V54 | Q46-G50 WeakPolarHBondContact O-CA 3.23Å; Q46-G50 PolarHBondContact O-N 3.19Å; Q46-G50 VanDerWaalsContact O-N 3.11Å; G50-V54 PolarHBondContact O-N 3.3Å |
| 51 | R | 57.9 | Low | 66 | Low | 193 Ų | 193 | 69 Ų | 69 | 73% | 0.728 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -68.3 | -46 | 176.6 | -72.4 | -172.6 | -179.3 | 179 | 0.5 | 112.7 | I49 F53 P671 | I49-R51 PolarHBondContact O-N 3.46Å; R51-F53 VanDerWaalsContact C-N 3.32Å; R51-P671 WeakPolarHBondContact O-CB 3.44Å; R51-P671 VanDerWaalsContact O-CG 3.3Å; R51-P671 WeakPolarHBondContact O-CG 3.18Å |
| 52 | E | 61 | Low | 64.4 | Low | 27 Ų | 27 | 67.9 Ų | 67.9 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.6 | -33.5 | 178.7 | -63.7 | 177.4 | -165.2 | 0 | 0 | 111.5 | I49 R655 S669 | I49-E52 HydrophobicContact CG2-CB 3.54Å; I49-E52 HydrophobicContact CG2-CG 3.59Å; I49-E52 VanDerWaalsContact CG2-OE2 3.29Å; I49-E52 WeakPolarHBondContact CG2-OE2 3.39Å; I49-E52 PolarHBondContact O-N 3.03Å; E52-R655 IonicContact OE1-NH1 2.73Å; E52-R655 PolarHBondContact OE1-NH1 3.26Å; E52-S669 WeakPolarHBondContact CG-O 2.85Å; E52-S669 WeakPolarHBondContact OE1-CA 3.19Å; E52-S669 VanDerWaalsContact OE1-CB 3.24Å; E52-S669 WeakPolarHBondContact OE1-CB 3.39Å |
| 53 | F | 58.9 | Low | 63 | Low | 6 Ų | 6 | 69.6 Ų | 69.6 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.6 | -34.6 | -173.5 | -145.3 | -72.8 | 0 | 0 | 0 | 112.8 | Y42 L45 I49 R51 I642 L643 R644 I648 | Y42-F53 HydrophobicContact CD2-CD1 4.15Å; Y42-F53 AromaticContact CD2-CE1 3.4Å; Y42-F53 HydrophobicContact CD2-CE1 3.4Å; Y42-F53 AromaticContact CD2-CZ 3.6Å; Y42-F53 HydrophobicContact CD2-CZ 3.6Å; Y42-F53 AromaticContact CE2-CD1 3.63Å; Y42-F53 HydrophobicContact CE2-CD1 3.63Å; Y42-F53 AromaticContact CE2-CE1 3.18Å; Y42-F53 HydrophobicContact CE2-CE1 3.18Å; Y42-F53 AromaticContact CE2-CZ 3.91Å; Y42-F53 HydrophobicContact CE2-CZ 3.91Å; L45-F53 HydrophobicContact CB-CD2 4Å; L45-F53 HydrophobicContact CB-CE2 3.91Å; L45-F53 HydrophobicContact CD1-CE2 4.11Å; I49-F53 PolarHBondContact O-N 3.17Å; I49-F53 VanDerWaalsContact O-N 3.08Å; R51-F53 VanDerWaalsContact C-N 3.32Å; F53-I642 WeakPolarHBondContact CE1-O 3.4Å; F53-I642 WeakPolarHBondContact CZ-O 3.27Å; F53-L643 WeakPolarHBondContact CZ-O 3.37Å; F53-R644 HydrophobicContact CE1-CG 4.31Å; F53-R644 HydrophobicContact CZ-CB 4.35Å; F53-R644 HydrophobicContact CZ-CG 4.48Å; F53-R644 PolarHBondContact O-NH1 3.39Å; F53-I648 HydrophobicContact CD2-CD1 4.2Å; F53-I648 HydrophobicContact CE2-CD1 3.64Å; F53-I648 HydrophobicContact CZ-CD1 4.47Å |
| 54 | V | 57.4 | Low | 61.7 | Low | 4 Ų | 4 | 72.6 Ų | 72.6 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | trans | -125.3 | 95.6 | -180 | -161.6 | 0 | 0 | 0 | 0 | 111.5 | G50 F59 Q60 W723 I724 | G50-V54 PolarHBondContact O-N 3.3Å; V54-F59 HydrophobicContact CB-CD1 3.84Å; V54-F59 HydrophobicContact CB-CE1 4.19Å; V54-F59 HydrophobicContact CG1-CB 4.11Å; V54-F59 HydrophobicContact CG1-CD1 3.18Å; V54-F59 HydrophobicContact CG1-CE1 3.76Å; V54-F59 HydrophobicContact CG1-CG 3.95Å; V54-F59 HydrophobicContact CG2-CD1 4.19Å; V54-F59 HydrophobicContact CG2-CE1 4.02Å; V54-Q60 PolarHBondContact O-NE2 3.5Å; V54-W723 HydrophobicContact CG1-CB 4.37Å; V54-W723 WeakPolarHBondContact CG1-O 3.43Å; V54-I724 HydrophobicContact CG1-CG1 4.3Å | ||
| 55 | P | 55.4 | Low | 60.3 | Low | 8 Ų | 8 | 77.1 Ų | 77.1 | 5% | 0.052 | 36% | 0.362 | C | S | . | . | trans | -79.5 | -24.3 | -167.6 | 29.7 | -36.4 | 0 | 0 | 0 | 115.1 | R57 P671 P673 I724 | P55-R57 PolarHBondContact O-N 3.38Å; P55-P671 VanDerWaalsContact CA-CB 3.43Å; P55-P671 HydrophobicContact CB-CB 3.48Å; P55-P671 VanDerWaalsContact CB-CB 3.48Å; P55-P673 HydrophobicContact CB-CB 4.09Å; P55-P673 HydrophobicContact CG-CB 4.05Å; P55-I724 WeakPolarHBondContact CG-O 3.4Å | ||
| 56 | K | 63.4 | Low | 59 | Low | 18 Ų | 18 | 78.1 Ų | 78.1 | 8% | 0.078 | 37% | 0.367 | C | S | . | . | trans | -69.1 | 119.6 | -178.5 | -79 | -178.7 | 165.8 | 169.6 | 0 | 111.4 | D58 F59 Q60 R89 L721 V722 Y725 D726 | K56-D58 VanDerWaalsContact C-N 3.33Å; K56-D58 PolarHBondContact O-N 3.42Å; K56-F59 WeakPolarHBondContact O-CB 3.43Å; K56-F59 PolarHBondContact O-N 2.87Å; K56-Q60 PolarHBondContact O-N 3.12Å; K56-R89 PolarHBondContact NZ-O 3.34Å; K56-L721 PolarHBondContact NZ-O 3.31Å; K56-V722 VanDerWaalsContact CD-O 3.27Å; K56-V722 WeakPolarHBondContact CD-O 3.25Å; K56-V722 PolarHBondContact NZ-O 3.43Å; K56-Y725 WeakPolarHBondContact CE-O 3.35Å; K56-Y725 PolarHBondContact NZ-O 2.05Å; K56-D726 WeakPolarHBondContact CE-OD1 3.32Å; K56-D726 WeakPolarHBondContact CG-OD1 3.38Å | ||
| 57 | R | 54.7 | Low | 57.8 | Low | 202 Ų | 202 | 85.1 Ų | 85.1 | 76% | 0.762 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -56.9 | -41.6 | 176.9 | -67.4 | -175.9 | -175.1 | 169 | -0.2 | 112.8 | P55 F59 Q60 D61 | P55-R57 PolarHBondContact O-N 3.38Å; R57-F59 PolarHBondContact O-N 3.07Å; R57-Q60 WeakPolarHBondContact O-CA 3.4Å; R57-Q60 WeakPolarHBondContact O-CB 3.25Å; R57-Q60 PolarHBondContact O-N 3.24Å; R57-D61 PolarHBondContact O-N 2.94Å |
| 58 | D | 54.1 | Low | 56.8 | Low | 108 Ų | 108 | 87.3 Ų | 87.3 | 58% | 0.578 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -54.8 | -31.5 | 176.8 | -61.9 | -10.1 | 0 | 0 | 0 | 112.8 | K56 Y62 | K56-D58 VanDerWaalsContact C-N 3.33Å; K56-D58 PolarHBondContact O-N 3.42Å; D58-Y62 WeakPolarHBondContact O-CB 3.22Å; D58-Y62 PolarHBondContact O-N 3.32Å; D58-Y62 VanDerWaalsContact O-N 3.13Å |
| 59 | F | 52.1 | Low | 55.6 | Low | 12 Ų | 12 | 83.2 Ų | 83.2 | 5% | 0.053 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -76.3 | -40.5 | 172.6 | -170.3 | -124.1 | 0 | 0 | 0 | 112.4 | V54 K56 R57 D61 Y62 V63 F74 W723 | V54-F59 HydrophobicContact CB-CD1 3.84Å; V54-F59 HydrophobicContact CB-CE1 4.19Å; V54-F59 HydrophobicContact CG1-CB 4.11Å; V54-F59 HydrophobicContact CG1-CD1 3.18Å; V54-F59 HydrophobicContact CG1-CE1 3.76Å; V54-F59 HydrophobicContact CG1-CG 3.95Å; V54-F59 HydrophobicContact CG2-CD1 4.19Å; V54-F59 HydrophobicContact CG2-CE1 4.02Å; K56-F59 WeakPolarHBondContact O-CB 3.43Å; K56-F59 PolarHBondContact O-N 2.87Å; R57-F59 PolarHBondContact O-N 3.07Å; F59-D61 PolarHBondContact O-N 3.19Å; F59-Y62 HydrophobicContact CD2-CD1 4.39Å; F59-Y62 HydrophobicContact CE2-CD1 4.41Å; F59-Y62 CarbonylContact O-C 3.57Å; F59-Y62 PolarHBondContact O-N 2.94Å; F59-Y62 VanDerWaalsContact O-N 3.15Å; F59-V63 HydrophobicContact CD1-CG2 3.56Å; F59-V63 HydrophobicContact CD2-CG2 3.61Å; F59-V63 HydrophobicContact CE1-CG2 3.29Å; F59-V63 HydrophobicContact CE2-CG2 3.37Å; F59-V63 HydrophobicContact CG-CG2 3.84Å; F59-V63 HydrophobicContact CZ-CG2 3.23Å; F59-V63 WeakPolarHBondContact O-CB 3.23Å; F59-V63 VanDerWaalsContact O-CG2 3.31Å; F59-V63 WeakPolarHBondContact O-CG2 3.45Å; F59-V63 PolarHBondContact O-N 2.82Å; F59-F74 AromaticContact CE2-CE2 3.78Å; F59-F74 HydrophobicContact CE2-CE2 3.78Å; F59-F74 HydrophobicContact CE2-CZ 4.34Å; F59-F74 HydrophobicContact CZ-CE2 4.36Å; F59-W723 HydrophobicContact CB-CD2 4.31Å; F59-W723 HydrophobicContact CB-CE3 3.4Å; F59-W723 HydrophobicContact CB-CZ3 3.71Å; F59-W723 AromaticContact CD2-CD2 3.35Å; F59-W723 HydrophobicContact CD2-CD2 3.35Å; F59-W723 AromaticContact CD2-CE2 3.82Å; F59-W723 AromaticContact CD2-CE3 3.03Å; F59-W723 HydrophobicContact CD2-CE3 3.03Å; F59-W723 HydrophobicContact CD2-CG 4.12Å; F59-W723 AromaticContact CD2-CH2 3.47Å; F59-W723 HydrophobicContact CD2-CH2 3.47Å; F59-W723 VanDerWaalsContact CD2-CH2 3.47Å; F59-W723 AromaticContact CD2-CZ2 3.88Å; F59-W723 HydrophobicContact CD2-CZ2 3.88Å; F59-W723 AromaticContact CD2-CZ3 3.1Å; F59-W723 HydrophobicContact CD2-CZ3 3.1Å; F59-W723 AromaticContact CE2-CD2 3.66Å; F59-W723 HydrophobicContact CE2-CD2 3.66Å; F59-W723 AromaticContact CE2-CE2 3.79Å; F59-W723 AromaticContact CE2-CE3 3.85Å; F59-W723 HydrophobicContact CE2-CE3 3.85Å; F59-W723 HydrophobicContact CE2-CG 4.18Å; F59-W723 AromaticContact CE2-CH2 3.96Å; F59-W723 HydrophobicContact CE2-CH2 3.96Å; F59-W723 AromaticContact CE2-CZ2 3.94Å; F59-W723 HydrophobicContact CE2-CZ2 3.94Å; F59-W723 AromaticContact CE2-CZ3 3.99Å; F59-W723 HydrophobicContact CE2-CZ3 3.99Å; F59-W723 HydrophobicContact CG-CB 4.46Å; F59-W723 AromaticContact CG-CD2 3.93Å; F59-W723 HydrophobicContact CG-CD2 3.93Å; F59-W723 AromaticContact CG-CE3 3.44Å; F59-W723 HydrophobicContact CG-CE3 3.44Å; F59-W723 VanDerWaalsContact CG-CE3 3.44Å; F59-W723 HydrophobicContact CG-CG 4.45Å; F59-W723 AromaticContact CG-CZ3 3.79Å; F59-W723 HydrophobicContact CG-CZ3 3.79Å |
| 60 | Q | 53.7 | Low | 54.6 | Low | 58 Ų | 58 | 91.1 Ų | 91.1 | 27% | 0.271 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.3 | -45.8 | 177.4 | -65.2 | -176 | -12.2 | 0 | 0 | 109.4 | V54 K56 R57 Y62 V63 E64 | V54-Q60 PolarHBondContact O-NE2 3.5Å; K56-Q60 PolarHBondContact O-N 3.12Å; R57-Q60 WeakPolarHBondContact O-CA 3.4Å; R57-Q60 WeakPolarHBondContact O-CB 3.25Å; R57-Q60 PolarHBondContact O-N 3.24Å; Q60-Y62 PolarHBondContact O-N 3.19Å; Q60-V63 PolarHBondContact O-N 2.94Å; Q60-E64 WeakPolarHBondContact O-CB 2.97Å; Q60-E64 PolarHBondContact O-N 2.74Å |
| 61 | D | 55.1 | Low | 54.4 | Low | 103 Ų | 103 | 94.5 Ų | 94.5 | 55% | 0.551 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 174.6 | -68.1 | -10.9 | 0 | 0 | 0 | 112.2 | R57 F59 K65 | R57-D61 PolarHBondContact O-N 2.94Å; F59-D61 PolarHBondContact O-N 3.19Å; D61-K65 WeakPolarHBondContact O-CB 3.46Å; D61-K65 PolarHBondContact O-N 2.76Å |
| 62 | Y | 54.3 | Low | 54 | Low | 55 Ų | 55 | 94.4 Ų | 94.4 | 22% | 0.216 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65 | -43.6 | 177.1 | -178.7 | -87.7 | 0 | 0 | 0 | 112.5 | D58 F59 Q60 N66 F74 Y77 W723 | D58-Y62 WeakPolarHBondContact O-CB 3.22Å; D58-Y62 PolarHBondContact O-N 3.32Å; D58-Y62 VanDerWaalsContact O-N 3.13Å; F59-Y62 HydrophobicContact CD2-CD1 4.39Å; F59-Y62 HydrophobicContact CE2-CD1 4.41Å; F59-Y62 CarbonylContact O-C 3.57Å; F59-Y62 PolarHBondContact O-N 2.94Å; F59-Y62 VanDerWaalsContact O-N 3.15Å; Q60-Y62 PolarHBondContact O-N 3.19Å; Y62-N66 WeakPolarHBondContact CD2-ND2 3.4Å; Y62-N66 HydrophobicContact CE1-CB 4.27Å; Y62-N66 WeakPolarHBondContact CE1-ND2 3.28Å; Y62-N66 WeakPolarHBondContact CE2-ND2 3.27Å; Y62-N66 WeakPolarHBondContact O-CB 3.45Å; Y62-N66 PolarHBondContact O-N 2.85Å; Y62-F74 HydrophobicContact CE1-CD2 4.15Å; Y62-Y77 HydrophobicContact CE2-CD1 4.29Å; Y62-Y77 AromaticContact CE2-CE1 3.85Å; Y62-Y77 HydrophobicContact CE2-CE1 3.85Å; Y62-Y77 AromaticContact CZ-CD1 3.88Å; Y62-Y77 AromaticContact CZ-CE1 3.89Å; Y62-Y77 VanDerWaalsContact OH-CD1 3.31Å; Y62-Y77 WeakPolarHBondContact OH-CD1 3.08Å; Y62-W723 AromaticContact CD1-CH2 3.97Å; Y62-W723 HydrophobicContact CD1-CH2 3.97Å; Y62-W723 HydrophobicContact CD2-CH2 4.47Å; Y62-W723 HydrophobicContact CE1-CH2 4.46Å; Y62-W723 AromaticContact CG-CH2 3.98Å; Y62-W723 HydrophobicContact CG-CH2 3.98Å |
| 63 | V | 53.8 | Low | 53.7 | Low | 46 Ų | 46 | 100.5 Ų | 100.5 | 28% | 0.279 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 178.7 | 170.2 | 0 | 0 | 0 | 0 | 110.3 | F59 Q60 N66 R67 | F59-V63 HydrophobicContact CD1-CG2 3.56Å; F59-V63 HydrophobicContact CD2-CG2 3.61Å; F59-V63 HydrophobicContact CE1-CG2 3.29Å; F59-V63 HydrophobicContact CE2-CG2 3.37Å; F59-V63 HydrophobicContact CG-CG2 3.84Å; F59-V63 HydrophobicContact CZ-CG2 3.23Å; F59-V63 WeakPolarHBondContact O-CB 3.23Å; F59-V63 VanDerWaalsContact O-CG2 3.31Å; F59-V63 WeakPolarHBondContact O-CG2 3.45Å; F59-V63 PolarHBondContact O-N 2.82Å; Q60-V63 PolarHBondContact O-N 2.94Å; V63-N66 CarbonylContact O-C 3.55Å; V63-N66 PolarHBondContact O-N 2.62Å; V63-R67 WeakPolarHBondContact O-CA 3.32Å; V63-R67 WeakPolarHBondContact O-CB 3.47Å; V63-R67 PolarHBondContact O-N 2.76Å |
| 64 | E | 55.5 | Low | 53.6 | Low | 134 Ų | 134 | 101.6 Ų | 101.6 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67.5 | -43.1 | 178.4 | -164.7 | 157.6 | -137.2 | 0 | 0 | 110.4 | Q60 | Q60-E64 WeakPolarHBondContact O-CB 2.97Å; Q60-E64 PolarHBondContact O-N 2.74Å |
| 65 | K | 54.4 | Low | 53.8 | Low | 183 Ų | 183 | 103.8 Ų | 103.8 | 80% | 0.796 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.6 | -36.9 | 175.7 | -162.5 | 169.9 | -173.3 | 171.7 | 0 | 113.1 | D61 | D61-K65 WeakPolarHBondContact O-CB 3.46Å; D61-K65 PolarHBondContact O-N 2.76Å |
| 66 | N | 51.6 | Low | 53.9 | Low | 61 Ų | 61 | 106.5 Ų | 106.5 | 33% | 0.326 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 14.7 | -179.8 | -68.8 | -40.9 | 0 | 0 | 0 | 114 | Y62 V63 K68 S69 | Y62-N66 WeakPolarHBondContact CD2-ND2 3.4Å; Y62-N66 HydrophobicContact CE1-CB 4.27Å; Y62-N66 WeakPolarHBondContact CE1-ND2 3.28Å; Y62-N66 WeakPolarHBondContact CE2-ND2 3.27Å; Y62-N66 WeakPolarHBondContact O-CB 3.45Å; Y62-N66 PolarHBondContact O-N 2.85Å; V63-N66 CarbonylContact O-C 3.55Å; V63-N66 PolarHBondContact O-N 2.62Å; N66-K68 PolarHBondContact O-N 2.82Å; N66-K68 VanDerWaalsContact O-N 3.1Å; N66-S69 WeakPolarHBondContact O-CA 3.33Å; N66-S69 VanDerWaalsContact O-CB 3.28Å; N66-S69 WeakPolarHBondContact O-CB 3.36Å; N66-S69 PolarHBondContact O-N 3.01Å |
| 67 | R | 49.3 | Very low | 53.7 | Low | 194 Ų | 194 | 109.2 Ų | 109.2 | 73% | 0.732 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.4 | -177 | -149.4 | 175.5 | -167.9 | 161.9 | 1.7 | 112.1 | V63 S69 | V63-R67 WeakPolarHBondContact O-CA 3.32Å; V63-R67 WeakPolarHBondContact O-CB 3.47Å; V63-R67 PolarHBondContact O-N 2.76Å; R67-S69 PolarHBondContact O-N 2.95Å |
| 68 | K | 48.8 | Very low | 54.2 | Low | 217 Ų | 217 | 100.2 Ų | 100.2 | 94% | 0.943 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -9.6 | 175.7 | -67.5 | -173.9 | 176.2 | -179.5 | 0 | 113.4 | N66 | N66-K68 PolarHBondContact O-N 2.82Å; N66-K68 VanDerWaalsContact O-N 3.1Å |
| 69 | S | 47.7 | Very low | 54.9 | Low | 44 Ų | 44 | 99.2 Ų | 99.2 | 31% | 0.308 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -100.8 | 111.6 | 179.1 | 159.6 | 0 | 0 | 0 | 0 | 110.5 | N66 R67 F71 K73 | N66-S69 WeakPolarHBondContact O-CA 3.33Å; N66-S69 VanDerWaalsContact O-CB 3.28Å; N66-S69 WeakPolarHBondContact O-CB 3.36Å; N66-S69 PolarHBondContact O-N 3.01Å; R67-S69 PolarHBondContact O-N 2.95Å; S69-F71 PolarHBondContact O-N 3.15Å; S69-K73 WeakPolarHBondContact OG-CB 3.36Å |
| 70 | R | 49.1 | Very low | 55.9 | Low | 212 Ų | 212 | 107.1 Ų | 107.1 | 80% | 0.8 | 48% | 0.482 | S | S | * | . | trans | -36.3 | 132.7 | 172 | -108.1 | -179.8 | -93.9 | 178.9 | -7 | 111.8 | W72 K73 | R70-W72 PolarHBondContact O-N 3.09Å; R70-K73 PolarHBondContact O-N 3.4Å | ||
| 71 | F | 53.7 | Low | 56.7 | Low | 99 Ų | 99 | 105.1 Ų | 105.1 | 43% | 0.434 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -36.8 | -30.3 | 172.8 | 179.9 | -96.7 | 0 | 0 | 0 | 114.8 | L43 S69 K73 F74 | L43-F71 HydrophobicContact CD2-CD2 4.31Å; L43-F71 HydrophobicContact CD2-CE2 3.95Å; L43-F71 HydrophobicContact CD2-CZ 4.33Å; S69-F71 PolarHBondContact O-N 3.15Å; F71-K73 PolarHBondContact O-N 3.09Å; F71-F74 VanDerWaalsContact O-CB 3.28Å; F71-F74 WeakPolarHBondContact O-CB 3.16Å; F71-F74 PolarHBondContact O-N 2.94Å |
| 72 | W | 51.2 | Low | 57.5 | Low | 191 Ų | 191 | 109.1 Ų | 109.1 | 72% | 0.723 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.3 | -26.6 | 177.2 | -66.9 | 102.6 | 0 | 0 | 0 | 115.8 | R70 F74 P76 | R70-W72 PolarHBondContact O-N 3.09Å; W72-F74 VanDerWaalsContact C-N 3.25Å; W72-F74 PolarHBondContact O-N 3.28Å; W72-P76 WeakPolarHBondContact O-CD 3.1Å |
| 73 | K | 53.7 | Low | 58.5 | Low | 156 Ų | 156 | 108.5 Ų | 108.5 | 68% | 0.678 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -74.2 | -19 | 172.8 | -77.6 | -172.9 | 176.3 | -178.1 | 0 | 112.6 | S69 R70 F71 P76 | S69-K73 WeakPolarHBondContact OG-CB 3.36Å; R70-K73 PolarHBondContact O-N 3.4Å; F71-K73 PolarHBondContact O-N 3.09Å; K73-P76 WeakPolarHBondContact O-CD 3.45Å |
| 74 | F | 56.4 | Low | 59.2 | Low | 28 Ų | 28 | 106.7 Ų | 106.7 | 12% | 0.123 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -72.4 | -38 | 177.4 | 167.6 | -94.7 | 0 | 0 | 0 | 112.4 | F59 Y62 F71 W72 Y77 F78 F719 W723 | F59-F74 AromaticContact CE2-CE2 3.78Å; F59-F74 HydrophobicContact CE2-CE2 3.78Å; F59-F74 HydrophobicContact CE2-CZ 4.34Å; F59-F74 HydrophobicContact CZ-CE2 4.36Å; Y62-F74 HydrophobicContact CE1-CD2 4.15Å; F71-F74 VanDerWaalsContact O-CB 3.28Å; F71-F74 WeakPolarHBondContact O-CB 3.16Å; F71-F74 PolarHBondContact O-N 2.94Å; W72-F74 VanDerWaalsContact C-N 3.25Å; W72-F74 PolarHBondContact O-N 3.28Å; F74-Y77 PolarHBondContact O-N 3.18Å; F74-F78 HydrophobicContact CE1-CB 4.38Å; F74-F78 HydrophobicContact CZ-CB 4.46Å; F74-F78 WeakPolarHBondContact O-CB 3.35Å; F74-F78 PolarHBondContact O-N 3.32Å; F74-F719 AromaticContact CE1-CD2 3.9Å; F74-F719 HydrophobicContact CE1-CD2 3.9Å; F74-F719 AromaticContact CE1-CE2 3.69Å; F74-F719 HydrophobicContact CE1-CE2 3.69Å; F74-F719 AromaticContact CZ-CD2 3.85Å; F74-F719 HydrophobicContact CZ-CD2 3.85Å; F74-F719 AromaticContact CZ-CE2 3.55Å; F74-F719 HydrophobicContact CZ-CE2 3.55Å; F74-W723 AromaticContact CE2-CE2 3.63Å; F74-W723 AromaticContact CE2-CZ2 3.57Å; F74-W723 HydrophobicContact CE2-CZ2 3.57Å; F74-W723 AromaticContact CE2-NE1 3.52Å; F74-W723 AromaticContact CZ-CD1 3.88Å; F74-W723 AromaticContact CZ-CE2 3.89Å; F74-W723 HydrophobicContact CZ-CZ2 4.28Å; F74-W723 AromaticContact CZ-NE1 3.29Å; F74-W723 VanDerWaalsContact CZ-NE1 3.29Å |
| 75 | V | 61.4 | Low | 60 | Low | 51 Ų | 51 | 103 Ų | 103 | 31% | 0.309 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.9 | -47.2 | -178.8 | 179.4 | 0 | 0 | 0 | 0 | 112.3 | F78 L79 | V75-F78 PolarHBondContact O-N 3.13Å; V75-L79 HydrophobicContact CG1-CD1 4.05Å; V75-L79 VanDerWaalsContact O-CG 3.32Å; V75-L79 WeakPolarHBondContact O-CG 3.42Å; V75-L79 PolarHBondContact O-N 3.5Å |
| 76 | P | 58.2 | Low | 61.2 | Low | 65 Ų | 65 | 94.9 Ų | 94.9 | 42% | 0.422 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 174.4 | -23.1 | 31.1 | 0 | 0 | 0 | 113.7 | W72 K73 L79 K80 | W72-P76 WeakPolarHBondContact O-CD 3.1Å; K73-P76 WeakPolarHBondContact O-CD 3.45Å; P76-L79 PolarHBondContact O-N 3.46Å; P76-K80 WeakPolarHBondContact O-CB 3.15Å; P76-K80 WeakPolarHBondContact O-CG 3.26Å; P76-K80 PolarHBondContact O-N 3.43Å |
| 77 | Y | 58.2 | Low | 62.3 | Low | 75 Ų | 75 | 92 Ų | 92 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 178.6 | 175.3 | -101.4 | 0 | 0 | 0 | 110.5 | Y62 F74 L79 K80 I81 E85 W723 | Y62-Y77 HydrophobicContact CE2-CD1 4.29Å; Y62-Y77 AromaticContact CE2-CE1 3.85Å; Y62-Y77 HydrophobicContact CE2-CE1 3.85Å; Y62-Y77 AromaticContact CZ-CD1 3.88Å; Y62-Y77 AromaticContact CZ-CE1 3.89Å; Y62-Y77 VanDerWaalsContact OH-CD1 3.31Å; Y62-Y77 WeakPolarHBondContact OH-CD1 3.08Å; F74-Y77 PolarHBondContact O-N 3.18Å; Y77-L79 PolarHBondContact O-N 2.81Å; Y77-K80 CarbonylContact O-C 3.59Å; Y77-K80 PolarHBondContact O-N 2.94Å; Y77-K80 VanDerWaalsContact O-N 3.09Å; Y77-I81 HydrophobicContact CE1-CG1 4.43Å; Y77-I81 WeakPolarHBondContact O-CG1 3.45Å; Y77-I81 PolarHBondContact O-N 3.35Å; Y77-E85 PolarHBondContact OH-OE1 3.43Å; Y77-W723 HydrophobicContact CE1-CZ2 4.5Å |
| 78 | F | 66 | Low | 63.4 | Low | 12 Ų | 12 | 85.5 Ų | 85.5 | 5% | 0.053 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.6 | -43.2 | 175.6 | 164.5 | -105.3 | 0 | 0 | 0 | 113.4 | F74 V75 K80 I81 L715 K718 F719 | F74-F78 HydrophobicContact CE1-CB 4.38Å; F74-F78 HydrophobicContact CZ-CB 4.46Å; F74-F78 WeakPolarHBondContact O-CB 3.35Å; F74-F78 PolarHBondContact O-N 3.32Å; V75-F78 PolarHBondContact O-N 3.13Å; F78-K80 VanDerWaalsContact C-N 3.3Å; F78-K80 PolarHBondContact O-N 3.41Å; F78-I81 HydrophobicContact CD2-CD1 4.29Å; F78-L715 HydrophobicContact CE1-CD2 4.37Å; F78-L715 WeakPolarHBondContact CZ-O 3.23Å; F78-K718 HydrophobicContact CE1-CD 4.4Å; F78-K718 HydrophobicContact CE2-CB 4.07Å; F78-K718 HydrophobicContact CE2-CD 3.9Å; F78-K718 HydrophobicContact CE2-CG 3.71Å; F78-K718 HydrophobicContact CZ-CB 3.73Å; F78-K718 HydrophobicContact CZ-CD 3.71Å; F78-K718 HydrophobicContact CZ-CG 3.75Å; F78-K718 PolarHBondContact O-NZ 3.06Å; F78-F719 VanDerWaalsContact CE2-CA 3.41Å; F78-F719 HydrophobicContact CE2-CB 3.9Å; F78-F719 HydrophobicContact CZ-CB 3.86Å |
| 79 | L | 69.8 | Low | 64.7 | Low | 88 Ų | 88 | 77.1 Ų | 77.1 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.5 | -33.3 | 176.9 | -70.6 | 174.1 | 0 | 0 | 0 | 111.6 | V75 P76 Y77 L715 K718 | V75-L79 HydrophobicContact CG1-CD1 4.05Å; V75-L79 VanDerWaalsContact O-CG 3.32Å; V75-L79 WeakPolarHBondContact O-CG 3.42Å; V75-L79 PolarHBondContact O-N 3.5Å; P76-L79 PolarHBondContact O-N 3.46Å; Y77-L79 PolarHBondContact O-N 2.81Å; L79-L715 HydrophobicContact CD2-CD2 3.74Å; L79-K718 PolarHBondContact O-NZ 2.96Å |
| 80 | K | 71.2 | Confident | 66.2 | Low | 177 Ų | 177 | 75.1 Ų | 75.1 | 77% | 0.77 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -92.3 | 4.3 | -177.6 | -69.9 | -177.7 | 179 | -177.1 | 0 | 115.9 | P76 Y77 F78 R82 | P76-K80 WeakPolarHBondContact O-CB 3.15Å; P76-K80 WeakPolarHBondContact O-CG 3.26Å; P76-K80 PolarHBondContact O-N 3.43Å; Y77-K80 CarbonylContact O-C 3.59Å; Y77-K80 PolarHBondContact O-N 2.94Å; Y77-K80 VanDerWaalsContact O-N 3.09Å; F78-K80 VanDerWaalsContact C-N 3.3Å; F78-K80 PolarHBondContact O-N 3.41Å; K80-R82 PolarHBondContact O-N 3.48Å |
| 81 | I | 72.3 | Confident | 67.7 | Low | 16 Ų | 16 | 65.2 Ų | 65.2 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | trans | -53.6 | 127.2 | 177.4 | -64 | 175.6 | 0 | 0 | 0 | 110.1 | Y77 F78 E85 F86 V722 | Y77-I81 HydrophobicContact CE1-CG1 4.43Å; Y77-I81 WeakPolarHBondContact O-CG1 3.45Å; Y77-I81 PolarHBondContact O-N 3.35Å; F78-I81 HydrophobicContact CD2-CD1 4.29Å; I81-E85 HydrophobicContact CG2-CB 4.11Å; I81-E85 HydrophobicContact CG2-CG 4.32Å; I81-F86 HydrophobicContact CG2-CB 3.94Å; I81-V722 HydrophobicContact CD1-CG1 4.17Å; I81-V722 HydrophobicContact CD1-CG2 4.19Å | ||
| 82 | R | 71.7 | Confident | 68.9 | Low | 188 Ų | 188 | 60.5 Ų | 60.5 | 71% | 0.709 | 27% | 0.274 | S | S | * | . | trans | -62.5 | 141.9 | 177.1 | -168.9 | 174.2 | -175.9 | 165.8 | 1.1 | 109.8 | K80 S84 E85 F86 | K80-R82 PolarHBondContact O-N 3.48Å; R82-S84 PolarHBondContact O-N 2.81Å; R82-S84 VanDerWaalsContact O-N 3.11Å; R82-E85 PolarHBondContact O-N 3.25Å; R82-E85 VanDerWaalsContact O-N 3.08Å; R82-F86 PolarHBondContact O-N 2.94Å | ||
| 83 | S | 73.6 | Confident | 70.5 | Confident | 42 Ų | 42 | 51.7 Ų | 51.7 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -52.4 | -36.4 | -179.6 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | A87 | S83-A87 WeakPolarHBondContact O-CB 3.32Å; S83-A87 PolarHBondContact O-N 3.31Å |
| 84 | S | 70 | Confident | 72.1 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.5 | -39.4 | 179.3 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | R82 A87 K88 S185 | R82-S84 PolarHBondContact O-N 2.81Å; R82-S84 VanDerWaalsContact O-N 3.11Å; S84-A87 PolarHBondContact O-N 3.34Å; S84-K88 WeakPolarHBondContact O-CG 3.06Å; S84-K88 PolarHBondContact O-N 3.21Å; S84-S185 WeakPolarHBondContact CB-OG 3.21Å; S84-S185 WeakPolarHBondContact OG-CB 3.47Å; S84-S185 PolarHBondContact OG-OG 3.44Å; S84-S185 VanDerWaalsContact OG-OG 3.1Å |
| 85 | E | 71.9 | Confident | 73.6 | Confident | 57 Ų | 57 | 43.3 Ų | 43.3 | 27% | 0.266 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68 | -39.5 | 173.7 | -173.7 | 178.4 | -171.6 | 0 | 0 | 110.9 | Y77 I81 R82 A87 K88 R89 | Y77-E85 PolarHBondContact OH-OE1 3.43Å; I81-E85 HydrophobicContact CG2-CB 4.11Å; I81-E85 HydrophobicContact CG2-CG 4.32Å; R82-E85 PolarHBondContact O-N 3.25Å; R82-E85 VanDerWaalsContact O-N 3.08Å; E85-A87 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.35Å; E85-K88 PolarHBondContact O-N 3.3Å; E85-R89 PolarHBondContact O-N 2.9Å; E85-R89 IonicContact OE1-CZ 3.73Å; E85-R89 IonicContact OE1-NE 3.64Å; E85-R89 IonicContact OE1-NH2 3.32Å; E85-R89 PolarHBondContact OE1-NH2 3.32Å |
| 86 | F | 79.1 | Confident | 74.8 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 5% | 0.053 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -44.3 | 171.9 | -178.7 | -110.4 | 0 | 0 | 0 | 111.2 | I81 R82 K88 R89 A90 V95 I98 K718 L721 V722 | I81-F86 HydrophobicContact CG2-CB 3.94Å; R82-F86 PolarHBondContact O-N 2.94Å; F86-K88 PolarHBondContact O-N 3.37Å; F86-R89 PolarHBondContact O-N 3.08Å; F86-A90 HydrophobicContact CD1-CB 4.49Å; F86-A90 HydrophobicContact CD2-CB 4.3Å; F86-A90 HydrophobicContact CE1-CB 4.07Å; F86-A90 HydrophobicContact CE2-CB 3.85Å; F86-A90 HydrophobicContact CZ-CB 3.7Å; F86-A90 VanDerWaalsContact O-CB 3.31Å; F86-A90 WeakPolarHBondContact O-CB 3.01Å; F86-A90 PolarHBondContact O-N 2.78Å; F86-V95 HydrophobicContact CD1-CG2 3.82Å; F86-V95 HydrophobicContact CE1-CB 4.46Å; F86-V95 HydrophobicContact CE1-CG2 4.1Å; F86-I98 HydrophobicContact CE1-CB 4.28Å; F86-I98 HydrophobicContact CE1-CG1 3.88Å; F86-I98 HydrophobicContact CZ-CB 4.5Å; F86-I98 HydrophobicContact CZ-CG1 3.63Å; F86-K718 HydrophobicContact CD2-CG 4.47Å; F86-K718 HydrophobicContact CE2-CG 3.87Å; F86-K718 HydrophobicContact CZ-CG 4.33Å; F86-L721 HydrophobicContact CE2-CB 4.32Å; F86-L721 HydrophobicContact CZ-CB 4.27Å; F86-L721 HydrophobicContact CZ-CD1 4.25Å; F86-V722 HydrophobicContact CD2-CG2 3.41Å; F86-V722 VanDerWaalsContact CD2-CG2 3.41Å; F86-V722 HydrophobicContact CE2-CG2 3.48Å; F86-V722 VanDerWaalsContact CE2-CG2 3.48Å |
| 87 | A | 75.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.1 | -37.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S83 S84 E85 R89 G91 V95 I182 W186 | S83-A87 WeakPolarHBondContact O-CB 3.32Å; S83-A87 PolarHBondContact O-N 3.31Å; S84-A87 PolarHBondContact O-N 3.34Å; E85-A87 VanDerWaalsContact C-N 3.31Å; E85-A87 PolarHBondContact O-N 3.35Å; A87-R89 VanDerWaalsContact C-N 3.26Å; A87-R89 PolarHBondContact O-N 3.49Å; A87-G91 VanDerWaalsContact O-CA 3.23Å; A87-G91 WeakPolarHBondContact O-CA 3.34Å; A87-G91 PolarHBondContact O-N 3.07Å; A87-V95 HydrophobicContact CB-CG2 3.56Å; A87-I182 HydrophobicContact CB-CB 4.42Å; A87-I182 HydrophobicContact CB-CD1 4.06Å; A87-I182 HydrophobicContact CB-CG1 4.16Å; A87-I182 HydrophobicContact CB-CG2 3.38Å; A87-W186 HydrophobicContact CB-CZ2 4.07Å |
| 88 | K | 72.4 | Confident | 78 | Confident | 57 Ų | 57 | 35.1 Ų | 35.1 | 25% | 0.248 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.9 | -37.9 | 174 | -73.4 | -177.8 | -179.3 | -173.5 | 0 | 111.9 | S84 E85 F86 S185 W186 T188 Q744 | S84-K88 WeakPolarHBondContact O-CG 3.06Å; S84-K88 PolarHBondContact O-N 3.21Å; E85-K88 PolarHBondContact O-N 3.3Å; F86-K88 PolarHBondContact O-N 3.37Å; K88-S185 WeakPolarHBondContact CE-O 3.12Å; K88-S185 PolarHBondContact NZ-O 3.24Å; K88-W186 VanDerWaalsContact CG-CD1 3.42Å; K88-T188 PolarHBondContact NZ-OG1 3.48Å; K88-Q744 PolarHBondContact O-NE2 3.23Å |
| 89 | R | 75.7 | Confident | 79.1 | Confident | 41 Ų | 41 | 35.5 Ų | 35.5 | 16% | 0.155 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -90.5 | -37.9 | -174.4 | -62.6 | 179.7 | -172.4 | -161.6 | 8.2 | 113.6 | K56 E85 F86 A87 | K56-R89 PolarHBondContact NZ-O 3.34Å; E85-R89 PolarHBondContact O-N 2.9Å; E85-R89 IonicContact OE1-CZ 3.73Å; E85-R89 IonicContact OE1-NE 3.64Å; E85-R89 IonicContact OE1-NH2 3.32Å; E85-R89 PolarHBondContact OE1-NH2 3.32Å; F86-R89 PolarHBondContact O-N 3.08Å; A87-R89 VanDerWaalsContact C-N 3.26Å; A87-R89 PolarHBondContact O-N 3.49Å |
| 90 | A | 80 | Confident | 80.1 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -98.2 | -12.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F86 L721 | F86-A90 HydrophobicContact CD1-CB 4.49Å; F86-A90 HydrophobicContact CD2-CB 4.3Å; F86-A90 HydrophobicContact CE1-CB 4.07Å; F86-A90 HydrophobicContact CE2-CB 3.85Å; F86-A90 HydrophobicContact CZ-CB 3.7Å; F86-A90 VanDerWaalsContact O-CB 3.31Å; F86-A90 WeakPolarHBondContact O-CB 3.01Å; F86-A90 PolarHBondContact O-N 2.78Å; A90-L721 HydrophobicContact CB-CB 3.96Å |
| 91 | G | 79.6 | Confident | 81.2 | Confident | 4 Ų | 4 | 23 Ų | 23 | 4% | 0.041 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | 73.8 | 167.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A87 D93 G94 V95 | A87-G91 VanDerWaalsContact O-CA 3.23Å; A87-G91 WeakPolarHBondContact O-CA 3.34Å; A87-G91 PolarHBondContact O-N 3.07Å; G91-D93 VanDerWaalsContact C-N 3.31Å; G91-D93 PolarHBondContact O-N 3.38Å; G91-G94 PolarHBondContact O-N 2.85Å; G91-V95 WeakPolarHBondContact O-CG2 3.47Å; G91-V95 PolarHBondContact O-N 3.38Å; G91-V95 VanDerWaalsContact O-N 3.15Å |
| 92 | L | 79.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.8 | -35.3 | 179.2 | -70.8 | 169.8 | 0 | 0 | 0 | 112.7 | G94 V95 A96 W176 I182 W186 I246 Q744 Y745 | L92-G94 VanDerWaalsContact C-N 3.32Å; L92-G94 PolarHBondContact O-N 2.95Å; L92-V95 WeakPolarHBondContact O-CB 3.43Å; L92-V95 PolarHBondContact O-N 3.36Å; L92-A96 WeakPolarHBondContact O-CB 3.23Å; L92-A96 PolarHBondContact O-N 3.06Å; L92-W176 HydrophobicContact CB-CH2 4.06Å; L92-W176 HydrophobicContact CD2-CH2 3.66Å; L92-W176 HydrophobicContact CD2-CZ3 4.06Å; L92-W176 HydrophobicContact CG-CH2 4.45Å; L92-W176 WeakPolarHBondContact O-CH2 3.27Å; L92-I182 HydrophobicContact CD2-CD1 4.27Å; L92-I182 HydrophobicContact CD2-CG2 4.19Å; L92-W186 HydrophobicContact CD1-CH2 4.16Å; L92-W186 HydrophobicContact CD1-CZ3 4.5Å; L92-W186 HydrophobicContact CD2-CH2 4.11Å; L92-W186 HydrophobicContact CG-CH2 3.88Å; L92-I246 HydrophobicContact CD1-CD1 4Å; L92-I246 HydrophobicContact CD1-CG1 4Å; L92-I246 HydrophobicContact CD1-CG2 3.94Å; L92-I246 HydrophobicContact CD2-CD1 4.47Å; L92-Q744 WeakPolarHBondContact CD1-O 3.47Å; L92-Q744 VanDerWaalsContact CG-O 3.29Å; L92-Q744 WeakPolarHBondContact CG-O 3.35Å; L92-Y745 WeakPolarHBondContact CD1-O 3.44Å |
| 93 | D | 84.5 | Confident | 83 | Confident | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.027 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.9 | -36.5 | 175.2 | -74.4 | -29.5 | 0 | 0 | 0 | 112.6 | G91 A96 Y97 F678 Y747 H748 W751 | G91-D93 VanDerWaalsContact C-N 3.31Å; G91-D93 PolarHBondContact O-N 3.38Å; D93-A96 PolarHBondContact O-N 2.8Å; D93-Y97 WeakPolarHBondContact O-CB 3.42Å; D93-Y97 PolarHBondContact O-N 3.04Å; D93-F678 HydrophobicContact CB-CE1 4.02Å; D93-F678 HydrophobicContact CB-CE2 3.94Å; D93-F678 HydrophobicContact CB-CZ 3.65Å; D93-F678 WeakPolarHBondContact O-CE1 2.89Å; D93-Y747 WeakPolarHBondContact OD1-CA 3.37Å; D93-Y747 WeakPolarHBondContact OD1-CD2 3.35Å; D93-H748 PolarHBondContact OD1-N 2.99Å; D93-H748 IonicContact OD1-ND1 2.94Å; D93-H748 IonicContact OD2-CE1 3.32Å; D93-H748 IonicContact OD2-CG 3.88Å; D93-H748 IonicContact OD2-ND1 3.55Å; D93-H748 PolarHBondContact OD2-ND1 2.81Å; D93-W751 HydrophobicContact CB-CE3 4.47Å; D93-W751 HydrophobicContact CB-CZ3 3.87Å; D93-W751 WeakPolarHBondContact OD2-CZ3 3.31Å |
| 94 | G | 87.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | G91 L92 Y97 I98 | G91-G94 PolarHBondContact O-N 2.85Å; L92-G94 VanDerWaalsContact C-N 3.32Å; L92-G94 PolarHBondContact O-N 2.95Å; G94-Y97 PolarHBondContact O-N 2.82Å; G94-I98 WeakPolarHBondContact O-CG1 3.16Å; G94-I98 PolarHBondContact O-N 3.48Å; G94-I98 VanDerWaalsContact O-N 3.14Å |
| 95 | V | 86.1 | Confident | 85.1 | Confident | 9 Ų | 9 | 20.3 Ų | 20.3 | 6% | 0.055 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 173.5 | -174.3 | 0 | 0 | 0 | 0 | 111.2 | F86 A87 G91 L92 Y97 I98 L99 W176 L180 I182 | F86-V95 HydrophobicContact CD1-CG2 3.82Å; F86-V95 HydrophobicContact CE1-CB 4.46Å; F86-V95 HydrophobicContact CE1-CG2 4.1Å; A87-V95 HydrophobicContact CB-CG2 3.56Å; G91-V95 WeakPolarHBondContact O-CG2 3.47Å; G91-V95 PolarHBondContact O-N 3.38Å; G91-V95 VanDerWaalsContact O-N 3.15Å; L92-V95 WeakPolarHBondContact O-CB 3.43Å; L92-V95 PolarHBondContact O-N 3.36Å; V95-Y97 VanDerWaalsContact C-N 3.31Å; V95-Y97 PolarHBondContact O-N 3.37Å; V95-I98 PolarHBondContact O-N 2.78Å; V95-L99 VanDerWaalsContact O-CB 3.24Å; V95-L99 WeakPolarHBondContact O-CB 3.23Å; V95-L99 PolarHBondContact O-N 3.11Å; V95-W176 HydrophobicContact CB-CH2 3.74Å; V95-W176 HydrophobicContact CB-CZ3 3.67Å; V95-W176 HydrophobicContact CG1-CE3 3.86Å; V95-W176 HydrophobicContact CG1-CH2 3.87Å; V95-W176 HydrophobicContact CG1-CZ3 3.28Å; V95-W176 HydrophobicContact CG2-CZ3 4.45Å; V95-L180 HydrophobicContact CG1-CD1 4.15Å; V95-I182 HydrophobicContact CG1-CD1 4.29Å; V95-I182 HydrophobicContact CG2-CD1 4.5Å |
| 96 | A | 86.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.8 | -38.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L92 D93 L99 A100 W176 Y747 F752 | L92-A96 WeakPolarHBondContact O-CB 3.23Å; L92-A96 PolarHBondContact O-N 3.06Å; D93-A96 PolarHBondContact O-N 2.8Å; A96-L99 PolarHBondContact O-N 3.35Å; A96-A100 VanDerWaalsContact O-CB 3.28Å; A96-A100 WeakPolarHBondContact O-CB 3.09Å; A96-A100 PolarHBondContact O-N 3.2Å; A96-W176 HydrophobicContact CB-CZ2 3.84Å; A96-Y747 HydrophobicContact CB-CD2 3.92Å; A96-Y747 HydrophobicContact CB-CE2 3.24Å; A96-F752 HydrophobicContact CB-CD2 4.2Å; A96-F752 WeakPolarHBondContact O-CD2 3.13Å |
| 97 | Y | 91.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.3 | -48.9 | 175.8 | 179.9 | -99.7 | 0 | 0 | 0 | 112.2 | D93 G94 V95 L99 A100 M101 F676 F678 N681 Y682 L685 D717 L721 | D93-Y97 WeakPolarHBondContact O-CB 3.42Å; D93-Y97 PolarHBondContact O-N 3.04Å; G94-Y97 PolarHBondContact O-N 2.82Å; V95-Y97 VanDerWaalsContact C-N 3.31Å; V95-Y97 PolarHBondContact O-N 3.37Å; Y97-L99 VanDerWaalsContact C-N 3.32Å; Y97-L99 PolarHBondContact O-N 2.85Å; Y97-A100 PolarHBondContact O-N 3.47Å; Y97-M101 HydrophobicContact CD1-CE 4.43Å; Y97-M101 HydrophobicContact CE1-CE 3.52Å; Y97-M101 PolarHBondContact O-N 2.91Å; Y97-F676 HydrophobicContact CD1-CE1 4.12Å; Y97-F676 HydrophobicContact CD1-CZ 4.24Å; Y97-F676 HydrophobicContact CD2-CE1 4.4Å; Y97-F676 HydrophobicContact CE1-CE1 4.14Å; Y97-F676 AromaticContact CE1-CZ 3.9Å; Y97-F676 HydrophobicContact CE1-CZ 3.9Å; Y97-F676 HydrophobicContact CE2-CE1 4.42Å; Y97-F676 HydrophobicContact CG-CE1 4.26Å; Y97-F678 HydrophobicContact CD2-CD1 4.42Å; Y97-F678 HydrophobicContact CG-CD1 4.4Å; Y97-F678 HydrophobicContact CG-CE1 4.46Å; Y97-N681 HydrophobicContact CE2-CB 3.93Å; Y97-Y682 VanDerWaalsContact CA-OH 3.27Å; Y97-Y682 WeakPolarHBondContact CA-OH 3.15Å; Y97-Y682 HydrophobicContact CD2-CD1 4.02Å; Y97-Y682 AromaticContact CD2-CD2 3.84Å; Y97-Y682 HydrophobicContact CD2-CD2 3.84Å; Y97-Y682 AromaticContact CD2-CE1 3.82Å; Y97-Y682 HydrophobicContact CD2-CE1 3.82Å; Y97-Y682 AromaticContact CD2-CE2 3.62Å; Y97-Y682 HydrophobicContact CD2-CE2 3.62Å; Y97-Y682 HydrophobicContact CD2-CG 4.03Å; Y97-Y682 AromaticContact CD2-CZ 3.62Å; Y97-Y682 HydrophobicContact CE2-CD1 4.17Å; Y97-Y682 HydrophobicContact CE2-CD2 4.27Å; Y97-Y682 HydrophobicContact CE2-CE1 4.38Å; Y97-Y682 HydrophobicContact CE2-CE2 4.47Å; Y97-Y682 HydrophobicContact CE2-CG 4.11Å; Y97-Y682 HydrophobicContact CG-CE2 4.48Å; Y97-Y682 PolarHBondContact N-OH 2.94Å; Y97-L685 HydrophobicContact CE2-CD2 4.21Å; Y97-D717 HydrophobicContact CE1-CB 3.89Å; Y97-D717 VanDerWaalsContact CE1-OD2 3.27Å; Y97-D717 WeakPolarHBondContact CE1-OD2 3.42Å; Y97-D717 PolarHBondContact OH-OD2 2.86Å; Y97-L721 HydrophobicContact CD1-CD1 4.11Å |
| 98 | I | 92 | Very high | 87.8 | Confident | 18 Ų | 18 | 20.1 Ų | 20.1 | 9% | 0.092 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | 177 | -65.8 | -56.6 | 0 | 0 | 0 | 111.3 | F86 G94 V95 M101 R102 F714 D717 K718 L721 | F86-I98 HydrophobicContact CE1-CB 4.28Å; F86-I98 HydrophobicContact CE1-CG1 3.88Å; F86-I98 HydrophobicContact CZ-CB 4.5Å; F86-I98 HydrophobicContact CZ-CG1 3.63Å; G94-I98 WeakPolarHBondContact O-CG1 3.16Å; G94-I98 PolarHBondContact O-N 3.48Å; G94-I98 VanDerWaalsContact O-N 3.14Å; V95-I98 PolarHBondContact O-N 2.78Å; I98-M101 WeakPolarHBondContact O-CB 3.31Å; I98-M101 PolarHBondContact O-N 3.16Å; I98-R102 PolarHBondContact O-N 3.34Å; I98-F714 HydrophobicContact CG2-CD2 4.04Å; I98-F714 HydrophobicContact CG2-CE2 3.49Å; I98-F714 VanDerWaalsContact CG2-CE2 3.49Å; I98-F714 HydrophobicContact CG2-CZ 4.45Å; I98-D717 HydrophobicContact CD1-CB 4.35Å; I98-K718 HydrophobicContact CD1-CB 3.98Å; I98-L721 HydrophobicContact CD1-CD1 4.06Å; I98-L721 HydrophobicContact CG1-CD1 3.98Å |
| 99 | L | 89.9 | Confident | 89 | Confident | 21 Ų | 21 | 22.2 Ų | 22.2 | 11% | 0.11 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 176.3 | -177.4 | 64.6 | 0 | 0 | 0 | 111.4 | V95 A96 Y97 M101 R102 F103 W176 F752 | V95-L99 VanDerWaalsContact O-CB 3.24Å; V95-L99 WeakPolarHBondContact O-CB 3.23Å; V95-L99 PolarHBondContact O-N 3.11Å; A96-L99 PolarHBondContact O-N 3.35Å; Y97-L99 VanDerWaalsContact C-N 3.32Å; Y97-L99 PolarHBondContact O-N 2.85Å; L99-M101 VanDerWaalsContact C-N 3.29Å; L99-M101 PolarHBondContact O-N 3.39Å; L99-R102 WeakPolarHBondContact O-CB 3.35Å; L99-R102 PolarHBondContact O-N 3.31Å; L99-F103 HydrophobicContact CD1-CD2 4.06Å; L99-F103 HydrophobicContact CD1-CE2 3.44Å; L99-F103 VanDerWaalsContact CD1-CE2 3.44Å; L99-F103 HydrophobicContact CD1-CZ 4Å; L99-F103 HydrophobicContact CD2-CE2 3.89Å; L99-F103 HydrophobicContact CG-CD2 3.84Å; L99-F103 HydrophobicContact CG-CE2 3.4Å; L99-F103 VanDerWaalsContact CG-CE2 3.4Å; L99-F103 HydrophobicContact CG-CZ 4.39Å; L99-F103 WeakPolarHBondContact O-CD2 3.02Å; L99-F103 PolarHBondContact O-N 3.5Å; L99-W176 HydrophobicContact CD2-CB 3.41Å; L99-W176 VanDerWaalsContact CD2-CB 3.41Å; L99-W176 HydrophobicContact CD2-CD2 3.84Å; L99-W176 HydrophobicContact CD2-CE3 4.48Å; L99-W176 HydrophobicContact CD2-CG 3.33Å; L99-F752 HydrophobicContact CB-CE2 4.19Å; L99-F752 HydrophobicContact CD2-CE2 4.07Å; L99-F752 HydrophobicContact CD2-CZ 4.44Å; L99-F752 HydrophobicContact CG-CE2 4.02Å; L99-F752 HydrophobicContact CG-CZ 4.4Å |
| 100 | A | 91.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | A96 Y97 R102 F103 R104 Y682 F752 | A96-A100 VanDerWaalsContact O-CB 3.28Å; A96-A100 WeakPolarHBondContact O-CB 3.09Å; A96-A100 PolarHBondContact O-N 3.2Å; Y97-A100 PolarHBondContact O-N 3.47Å; A100-R102 PolarHBondContact O-N 3.02Å; A100-F103 PolarHBondContact O-N 2.87Å; A100-R104 WeakPolarHBondContact O-CG 3.4Å; A100-R104 PolarHBondContact O-N 3.44Å; A100-Y682 HydrophobicContact CB-CE1 3.86Å; A100-F752 HydrophobicContact CB-CD2 3.82Å; A100-F752 HydrophobicContact CB-CE2 3.77Å; A100-F752 HydrophobicContact CB-CZ 4.42Å |
| 101 | M | 92.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.7 | -168.1 | 176.5 | -56.5 | 0 | 0 | 112.4 | Y97 I98 L99 F103 R104 V105 L685 F710 K713 F714 D717 | Y97-M101 HydrophobicContact CD1-CE 4.43Å; Y97-M101 HydrophobicContact CE1-CE 3.52Å; Y97-M101 PolarHBondContact O-N 2.91Å; I98-M101 WeakPolarHBondContact O-CB 3.31Å; I98-M101 PolarHBondContact O-N 3.16Å; L99-M101 VanDerWaalsContact C-N 3.29Å; L99-M101 PolarHBondContact O-N 3.39Å; M101-F103 VanDerWaalsContact C-N 3.31Å; M101-F103 PolarHBondContact O-N 3.2Å; M101-R104 WeakPolarHBondContact O-CB 3.44Å; M101-R104 PolarHBondContact O-N 3.43Å; M101-R104 VanDerWaalsContact O-N 3.14Å; M101-V105 PolarHBondContact O-N 3.21Å; M101-V105 VanDerWaalsContact O-N 3.14Å; M101-L685 HydrophobicContact CB-CD2 4.26Å; M101-L685 HydrophobicContact CE-CD1 3.94Å; M101-L685 HydrophobicContact CE-CD2 4.26Å; M101-L685 HydrophobicContact CG-CD1 4.13Å; M101-L685 HydrophobicContact CG-CD2 4.43Å; M101-L685 HydrophobicContact SD-CD1 4.46Å; M101-F710 HydrophobicContact CG-CD1 3.74Å; M101-F710 HydrophobicContact CG-CE1 4.2Å; M101-K713 HydrophobicContact CE-CB 4.34Å; M101-K713 HydrophobicContact CE-CG 3.61Å; M101-K713 HydrophobicContact SD-CB 4.12Å; M101-K713 HydrophobicContact SD-CG 4.04Å; M101-F714 WeakPolarHBondContact SD-CA 3.44Å; M101-F714 HydrophobicContact SD-CB 3.63Å; M101-F714 HydrophobicContact SD-CD2 4.44Å; M101-F714 PolarHBondContact SD-N 3.03Å; M101-D717 HydrophobicContact CE-CB 4.43Å; M101-D717 WeakPolarHBondContact CE-OD2 3.3Å |
| 102 | R | 91.7 | Very high | 91.4 | Very high | 144 Ų | 144 | 22.9 Ų | 22.9 | 54% | 0.543 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 174.2 | -177.7 | -177.2 | 175.8 | -176.4 | -0.7 | 111.7 | I98 L99 A100 R104 V105 F106 | I98-R102 PolarHBondContact O-N 3.34Å; L99-R102 WeakPolarHBondContact O-CB 3.35Å; L99-R102 PolarHBondContact O-N 3.31Å; A100-R102 PolarHBondContact O-N 3.02Å; R102-R104 VanDerWaalsContact C-N 3.33Å; R102-R104 PolarHBondContact O-N 3.05Å; R102-V105 WeakPolarHBondContact O-CB 3.36Å; R102-V105 PolarHBondContact O-N 2.85Å; R102-F106 HydrophobicContact CG-CD2 4.13Å; R102-F106 HydrophobicContact CG-CE2 3.62Å; R102-F106 HydrophobicContact CG-CZ 4.04Å; R102-F106 VanDerWaalsContact NE-CE2 3.3Å; R102-F106 VanDerWaalsContact NE-CZ 3.31Å; R102-F106 WeakPolarHBondContact O-CD2 3.43Å; R102-F106 PolarHBondContact O-N 3.45Å |
| 103 | F | 91.1 | Very high | 92.1 | Very high | 20 Ų | 20 | 24.8 Ų | 24.8 | 9% | 0.088 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.1 | -31.7 | 176.3 | -74.8 | -62.4 | 0 | 0 | 0 | 113.5 | L99 A100 M101 V105 F106 Q107 C169 E172 F752 | L99-F103 HydrophobicContact CD1-CD2 4.06Å; L99-F103 HydrophobicContact CD1-CE2 3.44Å; L99-F103 VanDerWaalsContact CD1-CE2 3.44Å; L99-F103 HydrophobicContact CD1-CZ 4Å; L99-F103 HydrophobicContact CD2-CE2 3.89Å; L99-F103 HydrophobicContact CG-CD2 3.84Å; L99-F103 HydrophobicContact CG-CE2 3.4Å; L99-F103 VanDerWaalsContact CG-CE2 3.4Å; L99-F103 HydrophobicContact CG-CZ 4.39Å; L99-F103 WeakPolarHBondContact O-CD2 3.02Å; L99-F103 PolarHBondContact O-N 3.5Å; A100-F103 PolarHBondContact O-N 2.87Å; M101-F103 VanDerWaalsContact C-N 3.31Å; M101-F103 PolarHBondContact O-N 3.2Å; F103-V105 VanDerWaalsContact C-N 3.33Å; F103-F106 AromaticContact CD1-CD2 3.9Å; F103-F106 HydrophobicContact CD1-CD2 3.9Å; F103-F106 HydrophobicContact CE1-CD2 4.29Å; F103-F106 PolarHBondContact O-N 3.03Å; F103-Q107 WeakPolarHBondContact O-CB 3.29Å; F103-Q107 WeakPolarHBondContact O-CG 3.4Å; F103-Q107 PolarHBondContact O-N 3.26Å; F103-C169 HydrophobicContact CB-CB 4.19Å; F103-C169 VanDerWaalsContact CB-SG 3.54Å; F103-C169 HydrophobicContact CD1-CB 4.1Å; F103-C169 HydrophobicContact CG-CB 4.08Å; F103-E172 HydrophobicContact CE1-CB 4.06Å; F103-E172 HydrophobicContact CE1-CG 4.05Å; F103-E172 HydrophobicContact CE2-CB 3.8Å; F103-E172 HydrophobicContact CZ-CB 3.27Å; F103-E172 HydrophobicContact CZ-CG 3.6Å; F103-F752 HydrophobicContact CD2-CE2 4.32Å; F103-F752 AromaticContact CD2-CZ 3.57Å; F103-F752 HydrophobicContact CD2-CZ 3.57Å; F103-F752 AromaticContact CE2-CZ 3.85Å; F103-F752 HydrophobicContact CE2-CZ 3.85Å |
| 104 | R | 92.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.1 | -40.8 | 171.7 | -63.6 | -65.7 | 165.5 | -117.5 | -19.7 | 111.5 | A100 M101 R102 Q107 L108 H689 F710 S755 T756 S759 | A100-R104 WeakPolarHBondContact O-CG 3.4Å; A100-R104 PolarHBondContact O-N 3.44Å; M101-R104 WeakPolarHBondContact O-CB 3.44Å; M101-R104 PolarHBondContact O-N 3.43Å; M101-R104 VanDerWaalsContact O-N 3.14Å; R102-R104 VanDerWaalsContact C-N 3.33Å; R102-R104 PolarHBondContact O-N 3.05Å; R104-Q107 WeakPolarHBondContact O-CB 3.27Å; R104-Q107 PolarHBondContact O-N 2.73Å; R104-L108 WeakPolarHBondContact O-CG 3.49Å; R104-L108 PolarHBondContact O-N 2.72Å; R104-H689 WeakPolarHBondContact CD-NE2 3.44Å; R104-F710 HydrophobicContact CB-CD1 4.25Å; R104-F710 HydrophobicContact CB-CE1 3.41Å; R104-F710 VanDerWaalsContact CB-CE1 3.41Å; R104-F710 HydrophobicContact CB-CZ 3.6Å; R104-F710 HydrophobicContact CG-CE1 4.02Å; R104-F710 HydrophobicContact CG-CZ 4.24Å; R104-S755 VanDerWaalsContact NH2-CB 3.3Å; R104-S755 PolarHBondContact NH2-O 3.08Å; R104-S755 PolarHBondContact NH2-OG 3.34Å; R104-T756 PolarHBondContact NH2-OG1 2.75Å; R104-S759 PolarHBondContact NH1-OG 3.34Å; R104-S759 VanDerWaalsContact NH1-OG 3.14Å |
| 105 | V | 95.1 | Very high | 92.9 | Very high | 34 Ų | 34 | 27 Ų | 27 | 21% | 0.206 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 173.7 | 177.2 | 0 | 0 | 0 | 0 | 111 | M101 R102 F103 Q107 L108 F109 L707 F710 | M101-V105 PolarHBondContact O-N 3.21Å; M101-V105 VanDerWaalsContact O-N 3.14Å; R102-V105 WeakPolarHBondContact O-CB 3.36Å; R102-V105 PolarHBondContact O-N 2.85Å; F103-V105 VanDerWaalsContact C-N 3.33Å; V105-Q107 VanDerWaalsContact C-N 3.32Å; V105-Q107 PolarHBondContact O-N 2.96Å; V105-L108 WeakPolarHBondContact O-CB 3.2Å; V105-L108 PolarHBondContact O-N 3.5Å; V105-L108 VanDerWaalsContact O-N 3.11Å; V105-F109 HydrophobicContact CG1-CD2 4.32Å; V105-F109 HydrophobicContact CG1-CE1 4.43Å; V105-F109 HydrophobicContact CG1-CE2 3.68Å; V105-F109 HydrophobicContact CG1-CZ 3.74Å; V105-F109 PolarHBondContact O-N 2.78Å; V105-L707 HydrophobicContact CG1-CD2 4.35Å; V105-F710 HydrophobicContact CG2-CB 3.6Å; V105-F710 HydrophobicContact CG2-CD1 4.12Å; V105-F710 HydrophobicContact CG2-CG 3.92Å |
| 106 | F | 93.5 | Very high | 93.3 | Very high | 65 Ų | 65 | 30.8 Ų | 30.8 | 29% | 0.285 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.4 | -37.5 | 175.7 | -69.6 | -39.8 | 0 | 0 | 0 | 113.5 | R102 F103 F109 M165 | R102-F106 HydrophobicContact CG-CD2 4.13Å; R102-F106 HydrophobicContact CG-CE2 3.62Å; R102-F106 HydrophobicContact CG-CZ 4.04Å; R102-F106 VanDerWaalsContact NE-CE2 3.3Å; R102-F106 VanDerWaalsContact NE-CZ 3.31Å; R102-F106 WeakPolarHBondContact O-CD2 3.43Å; R102-F106 PolarHBondContact O-N 3.45Å; F103-F106 AromaticContact CD1-CD2 3.9Å; F103-F106 HydrophobicContact CD1-CD2 3.9Å; F103-F106 HydrophobicContact CE1-CD2 4.29Å; F103-F106 PolarHBondContact O-N 3.03Å; F106-F109 HydrophobicContact CD1-CD2 4.04Å; F106-F109 HydrophobicContact CD1-CE2 4.28Å; F106-F109 PolarHBondContact O-N 2.76Å; F106-M165 HydrophobicContact CB-CE 3.65Å; F106-M165 HydrophobicContact CG-CE 4.38Å |
| 107 | Q | 94 | Very high | 93.6 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.1 | -38.4 | 171.7 | -81.8 | 179.8 | -32.8 | 0 | 0 | 112.3 | F103 R104 V105 F109 A110 Y162 M165 T166 H689 S759 | F103-Q107 WeakPolarHBondContact O-CB 3.29Å; F103-Q107 WeakPolarHBondContact O-CG 3.4Å; F103-Q107 PolarHBondContact O-N 3.26Å; R104-Q107 WeakPolarHBondContact O-CB 3.27Å; R104-Q107 PolarHBondContact O-N 2.73Å; V105-Q107 VanDerWaalsContact C-N 3.32Å; V105-Q107 PolarHBondContact O-N 2.96Å; Q107-F109 VanDerWaalsContact C-N 3.33Å; Q107-A110 VanDerWaalsContact O-CB 3.29Å; Q107-A110 WeakPolarHBondContact O-CB 3.42Å; Q107-A110 PolarHBondContact O-N 3.43Å; Q107-Y162 HydrophobicContact CB-CD2 4.06Å; Q107-Y162 HydrophobicContact CB-CE2 3.57Å; Q107-Y162 HydrophobicContact CG-CD2 4.48Å; Q107-Y162 HydrophobicContact CG-CE2 4.05Å; Q107-Y162 WeakPolarHBondContact O-CD2 3.26Å; Q107-Y162 PolarHBondContact OE1-OH 3.29Å; Q107-M165 HydrophobicContact CG-CB 4.23Å; Q107-T166 PolarHBondContact NE2-OG1 2.81Å; Q107-H689 PolarHBondContact OE1-NE2 2.94Å; Q107-S759 PolarHBondContact NE2-OG 3.34Å |
| 108 | L | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | 174 | -72.7 | -177.5 | 0 | 0 | 0 | 111.5 | R104 V105 A110 L111 I692 I693 Y703 L707 F710 | R104-L108 WeakPolarHBondContact O-CG 3.49Å; R104-L108 PolarHBondContact O-N 2.72Å; V105-L108 WeakPolarHBondContact O-CB 3.2Å; V105-L108 PolarHBondContact O-N 3.5Å; V105-L108 VanDerWaalsContact O-N 3.11Å; L108-A110 PolarHBondContact O-N 2.8Å; L108-A110 VanDerWaalsContact O-N 3.12Å; L108-L111 HydrophobicContact CD2-CD1 4.31Å; L108-L111 WeakPolarHBondContact O-CA 3.46Å; L108-L111 WeakPolarHBondContact O-CB 3.23Å; L108-L111 PolarHBondContact O-N 3.46Å; L108-I692 HydrophobicContact CD1-CD1 4.43Å; L108-I692 HydrophobicContact CD1-CG2 4.39Å; L108-I692 HydrophobicContact CD2-CB 4.27Å; L108-I692 HydrophobicContact CD2-CG2 3.56Å; L108-I693 HydrophobicContact CD2-CG1 4.2Å; L108-Y703 WeakPolarHBondContact O-CE2 3.36Å; L108-L707 HydrophobicContact CB-CD2 4.15Å; L108-L707 HydrophobicContact CD1-CD2 4.13Å; L108-F710 HydrophobicContact CD1-CD2 3.46Å; L108-F710 VanDerWaalsContact CD1-CD2 3.46Å; L108-F710 HydrophobicContact CD1-CE2 3.54Å; L108-F710 HydrophobicContact CG-CE2 4.42Å |
| 109 | F | 96.1 | Very high | 93.3 | Very high | 101 Ų | 101 | 35.8 Ų | 35.8 | 44% | 0.443 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.5 | -24.2 | 175.8 | -68.2 | -38.5 | 0 | 0 | 0 | 113.6 | V105 F106 Q107 L111 T112 L707 | V105-F109 HydrophobicContact CG1-CD2 4.32Å; V105-F109 HydrophobicContact CG1-CE1 4.43Å; V105-F109 HydrophobicContact CG1-CE2 3.68Å; V105-F109 HydrophobicContact CG1-CZ 3.74Å; V105-F109 PolarHBondContact O-N 2.78Å; F106-F109 HydrophobicContact CD1-CD2 4.04Å; F106-F109 HydrophobicContact CD1-CE2 4.28Å; F106-F109 PolarHBondContact O-N 2.76Å; Q107-F109 VanDerWaalsContact C-N 3.33Å; F109-L111 PolarHBondContact O-N 3.29Å; F109-T112 WeakPolarHBondContact CA-OG1 3.46Å; F109-T112 WeakPolarHBondContact O-CB 3.24Å; F109-T112 PolarHBondContact O-N 2.99Å; F109-T112 PolarHBondContact O-OG1 2.98Å; F109-L707 HydrophobicContact CD1-CD2 4.33Å; F109-L707 HydrophobicContact CE1-CD1 4.13Å; F109-L707 HydrophobicContact CE1-CD2 3.94Å |
| 110 | A | 95 | Very high | 93.3 | Very high | 9 Ų | 9 | 38 Ų | 38 | 7% | 0.074 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q107 L108 L161 M165 | Q107-A110 VanDerWaalsContact O-CB 3.29Å; Q107-A110 WeakPolarHBondContact O-CB 3.42Å; Q107-A110 PolarHBondContact O-N 3.43Å; L108-A110 PolarHBondContact O-N 2.8Å; L108-A110 VanDerWaalsContact O-N 3.12Å; A110-L161 HydrophobicContact CB-CB 3.9Å; A110-M165 HydrophobicContact CB-CG 4.42Å |
| 111 | L | 95.7 | Very high | 93.3 | Very high | 10 Ų | 10 | 38.8 Ų | 38.8 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -2.3 | 177.6 | -54.2 | -178.2 | 0 | 0 | 0 | 113.6 | L108 F109 P113 I114 F115 C158 Y162 I693 T696 Y703 | L108-L111 HydrophobicContact CD2-CD1 4.31Å; L108-L111 WeakPolarHBondContact O-CA 3.46Å; L108-L111 WeakPolarHBondContact O-CB 3.23Å; L108-L111 PolarHBondContact O-N 3.46Å; F109-L111 PolarHBondContact O-N 3.29Å; L111-P113 VanDerWaalsContact C-N 3.31Å; L111-I114 HydrophobicContact CD2-CD1 4.14Å; L111-I114 WeakPolarHBondContact O-CB 3.44Å; L111-I114 PolarHBondContact O-N 2.78Å; L111-F115 PolarHBondContact O-N 3.44Å; L111-C158 HydrophobicContact CD2-CB 4.13Å; L111-Y162 HydrophobicContact CD2-CD2 4.49Å; L111-I693 HydrophobicContact CD1-CB 4.27Å; L111-I693 HydrophobicContact CD1-CG1 3.94Å; L111-I693 HydrophobicContact CD1-CG2 4.18Å; L111-T696 HydrophobicContact CB-CG2 4.13Å; L111-T696 HydrophobicContact CD1-CG2 4.32Å; L111-Y703 HydrophobicContact CB-CD2 4.46Å |
| 112 | T | 95.9 | Very high | 93.1 | Very high | 41 Ų | 41 | 38.8 Ų | 38.8 | 25% | 0.252 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -53.3 | -38.9 | 179.2 | -46.8 | 0 | 0 | 0 | 0 | 113.6 | F109 I114 F115 V116 Y703 | F109-T112 WeakPolarHBondContact CA-OG1 3.46Å; F109-T112 WeakPolarHBondContact O-CB 3.24Å; F109-T112 PolarHBondContact O-N 2.99Å; F109-T112 PolarHBondContact O-OG1 2.98Å; T112-I114 VanDerWaalsContact C-N 3.27Å; T112-I114 PolarHBondContact O-N 3.42Å; T112-F115 PolarHBondContact O-N 3.4Å; T112-V116 HydrophobicContact CG2-CG2 3.96Å; T112-V116 WeakPolarHBondContact O-CG2 3.22Å; T112-V116 PolarHBondContact O-N 2.97Å; T112-Y703 PolarHBondContact OG1-OH 3.41Å |
| 113 | P | 95 | Very high | 92.9 | Very high | 41 Ų | 41 | 37.5 Ų | 37.5 | 27% | 0.266 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.4 | -33.7 | 177.1 | -23.8 | 34.5 | 0 | 0 | 0 | 113.6 | L111 F115 I117 I154 | L111-P113 VanDerWaalsContact C-N 3.31Å; P113-F115 VanDerWaalsContact C-N 3.35Å; P113-I117 HydrophobicContact CB-CD1 4.38Å; P113-I117 VanDerWaalsContact O-CB 3.31Å; P113-I117 WeakPolarHBondContact O-CB 3.13Å; P113-I117 WeakPolarHBondContact O-CG1 3.44Å; P113-I117 PolarHBondContact O-N 3.11Å; P113-I154 HydrophobicContact CB-CG2 4.37Å |
| 114 | I | 94 | Very high | 92.6 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -63 | -44.5 | 173.9 | -66 | 163.6 | 0 | 0 | 0 | 109.8 | L111 T112 C118 I154 C158 T696 P697 P700 | L111-I114 HydrophobicContact CD2-CD1 4.14Å; L111-I114 WeakPolarHBondContact O-CB 3.44Å; L111-I114 PolarHBondContact O-N 2.78Å; T112-I114 VanDerWaalsContact C-N 3.27Å; T112-I114 PolarHBondContact O-N 3.42Å; I114-C118 HydrophobicContact CG2-CB 4.26Å; I114-C118 WeakPolarHBondContact O-CA 3.26Å; I114-C118 WeakPolarHBondContact O-CB 3.36Å; I114-C118 PolarHBondContact O-N 3.27Å; I114-C118 PolarHBondContact O-SG 3Å; I114-I154 HydrophobicContact CG1-CG2 3.8Å; I114-C158 HydrophobicContact CD1-CB 3.82Å; I114-C158 HydrophobicContact CG1-CB 4.22Å; I114-T696 HydrophobicContact CB-CG2 4.13Å; I114-T696 HydrophobicContact CD1-CG2 4.44Å; I114-T696 HydrophobicContact CG2-CG2 3.83Å; I114-T696 WeakPolarHBondContact CG2-O 3.3Å; I114-P697 HydrophobicContact CD1-CG 4.3Å; I114-P700 HydrophobicContact CG2-CG 4.41Å |
| 115 | F | 94 | Very high | 92.1 | Very high | 50 Ų | 50 | 41.5 Ų | 41.5 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -64.1 | -50.3 | 177.3 | 173.8 | -107.3 | 0 | 0 | 0 | 112.3 | L111 T112 P113 L119 P700 Y703 V704 | L111-F115 PolarHBondContact O-N 3.44Å; T112-F115 PolarHBondContact O-N 3.4Å; P113-F115 VanDerWaalsContact C-N 3.35Å; F115-L119 HydrophobicContact CD2-CD2 4.49Å; F115-L119 HydrophobicContact CE2-CD2 3.85Å; F115-L119 HydrophobicContact CZ-CD2 4.23Å; F115-L119 WeakPolarHBondContact O-CB 3.29Å; F115-L119 PolarHBondContact O-N 2.95Å; F115-P700 HydrophobicContact CD2-CB 4.23Å; F115-P700 WeakPolarHBondContact CD2-O 3.31Å; F115-Y703 HydrophobicContact CB-CD1 3.7Å; F115-Y703 HydrophobicContact CB-CE1 4.2Å; F115-Y703 HydrophobicContact CB-CG 4.11Å; F115-Y703 AromaticContact CD1-CD1 4Å; F115-Y703 HydrophobicContact CD1-CD1 4Å; F115-Y703 HydrophobicContact CD1-CE1 4.09Å; F115-Y703 HydrophobicContact CD2-CD1 4.17Å; F115-Y703 AromaticContact CG-CD1 3.67Å; F115-Y703 HydrophobicContact CG-CD1 3.67Å; F115-Y703 HydrophobicContact CG-CE1 4.19Å; F115-Y703 HydrophobicContact CG-CG 4.46Å; F115-V704 HydrophobicContact CD2-CG2 4.12Å; F115-V704 HydrophobicContact CE1-CG2 4.08Å; F115-V704 HydrophobicContact CE2-CG2 3.51Å; F115-V704 HydrophobicContact CZ-CG2 3.49Å; F115-V704 VanDerWaalsContact CZ-CG2 3.49Å |
| 116 | V | 94.6 | Very high | 91.1 | Very high | 87 Ų | 87 | 44.9 Ų | 44.9 | 53% | 0.527 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -70.1 | -37.9 | -173.1 | 175.7 | 0 | 0 | 0 | 0 | 112.4 | T112 P120 | T112-V116 HydrophobicContact CG2-CG2 3.96Å; T112-V116 WeakPolarHBondContact O-CG2 3.22Å; T112-V116 PolarHBondContact O-N 2.97Å; V116-P120 WeakPolarHBondContact O-CD 3.49Å; V116-P120 VanDerWaalsContact O-CG 3.27Å; V116-P120 WeakPolarHBondContact O-CG 3.44Å |
| 117 | I | 92.3 | Very high | 89.9 | Confident | 78 Ų | 78 | 50.9 Ų | 50.9 | 40% | 0.4 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -97.7 | -44.1 | -173.6 | -54.5 | 169.9 | 0 | 0 | 0 | 111.4 | P113 L119 P120 L121 I154 | P113-I117 HydrophobicContact CB-CD1 4.38Å; P113-I117 VanDerWaalsContact O-CB 3.31Å; P113-I117 WeakPolarHBondContact O-CB 3.13Å; P113-I117 WeakPolarHBondContact O-CG1 3.44Å; P113-I117 PolarHBondContact O-N 3.11Å; I117-L119 PolarHBondContact O-N 2.93Å; I117-P120 WeakPolarHBondContact O-CD 3.45Å; I117-P120 WeakPolarHBondContact O-CG 3.25Å; I117-L121 VanDerWaalsContact O-CB 3.23Å; I117-L121 WeakPolarHBondContact O-CB 3.43Å; I117-L121 PolarHBondContact O-N 2.95Å; I117-I154 HydrophobicContact CB-CD1 3.86Å; I117-I154 HydrophobicContact CD1-CD1 4.32Å; I117-I154 HydrophobicContact CD1-CG1 4.46Å; I117-I154 HydrophobicContact CG2-CD1 3.43Å; I117-I154 VanDerWaalsContact CG2-CD1 3.43Å |
| 118 | C | 89.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -72.7 | -30.5 | -175.3 | -53.8 | 0 | 0 | 0 | 0 | 112.4 | I114 L121 F122 L151 P700 | I114-C118 HydrophobicContact CG2-CB 4.26Å; I114-C118 WeakPolarHBondContact O-CA 3.26Å; I114-C118 WeakPolarHBondContact O-CB 3.36Å; I114-C118 PolarHBondContact O-N 3.27Å; I114-C118 PolarHBondContact O-SG 3Å; C118-L121 PolarHBondContact O-N 3.34Å; C118-F122 HydrophobicContact CB-CD2 4.34Å; C118-F122 HydrophobicContact CB-CE1 4.26Å; C118-F122 HydrophobicContact CB-CE2 3.8Å; C118-F122 HydrophobicContact CB-CZ 3.75Å; C118-F122 WeakPolarHBondContact O-CB 3.35Å; C118-F122 VanDerWaalsContact O-CD2 3.25Å; C118-F122 WeakPolarHBondContact O-CD2 3.46Å; C118-F122 WeakPolarHBondContact O-CG 3.35Å; C118-F122 PolarHBondContact O-N 3.46Å; C118-L151 HydrophobicContact CB-CD1 4.29Å; C118-L151 WeakPolarHBondContact SG-CD1 3.43Å; C118-P700 HydrophobicContact CB-CG 4.22Å |
| 119 | L | 89 | Confident | 87.3 | Confident | 45 Ų | 45 | 59 Ų | 59 | 24% | 0.236 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.9 | -54.6 | 178.9 | -172.2 | 76.4 | 0 | 0 | 0 | 112.8 | F115 I117 L121 F122 F123 I135 | F115-L119 HydrophobicContact CD2-CD2 4.49Å; F115-L119 HydrophobicContact CE2-CD2 3.85Å; F115-L119 HydrophobicContact CZ-CD2 4.23Å; F115-L119 WeakPolarHBondContact O-CB 3.29Å; F115-L119 PolarHBondContact O-N 2.95Å; I117-L119 PolarHBondContact O-N 2.93Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L119-F122 PolarHBondContact O-N 2.71Å; L119-F123 WeakPolarHBondContact O-CB 3.3Å; L119-F123 PolarHBondContact O-N 3.15Å; L119-I135 HydrophobicContact CD1-CB 3.78Å; L119-I135 HydrophobicContact CD1-CD1 4.26Å; L119-I135 HydrophobicContact CD1-CG2 4.21Å |
| 120 | P | 90.5 | Very high | 86.1 | Confident | 67 Ų | 67 | 58.7 Ų | 58.7 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.1 | -33 | 174.3 | 23.4 | -31.7 | 0 | 0 | 0 | 112.9 | V116 I117 F122 F123 T124 | V116-P120 WeakPolarHBondContact O-CD 3.49Å; V116-P120 VanDerWaalsContact O-CG 3.27Å; V116-P120 WeakPolarHBondContact O-CG 3.44Å; I117-P120 WeakPolarHBondContact O-CD 3.45Å; I117-P120 WeakPolarHBondContact O-CG 3.25Å; P120-F122 VanDerWaalsContact C-N 3.34Å; P120-F122 PolarHBondContact O-N 3.02Å; P120-F123 PolarHBondContact O-N 3.18Å; P120-T124 WeakPolarHBondContact O-CB 3.46Å; P120-T124 VanDerWaalsContact O-CG2 3.3Å; P120-T124 WeakPolarHBondContact O-CG2 3.25Å; P120-T124 PolarHBondContact O-N 3.07Å; P120-T124 PolarHBondContact O-OG1 2.95Å |
| 121 | L | 90 | Very high | 85.3 | Confident | 18 Ų | 18 | 63 Ų | 63 | 9% | 0.094 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 175.3 | 179.6 | 157.9 | 0 | 0 | 0 | 111.8 | I117 C118 L119 T124 L140 R147 I150 | I117-L121 VanDerWaalsContact O-CB 3.23Å; I117-L121 WeakPolarHBondContact O-CB 3.43Å; I117-L121 PolarHBondContact O-N 2.95Å; C118-L121 PolarHBondContact O-N 3.34Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L121-T124 PolarHBondContact O-OG1 2.95Å; L121-L140 HydrophobicContact CD2-CD2 3.8Å; L121-R147 HydrophobicContact CD2-CB 4.05Å; L121-R147 HydrophobicContact CD2-CG 4.44Å; L121-R147 HydrophobicContact CG-CB 4.42Å; L121-R147 HydrophobicContact CG-CG 4.39Å; L121-I150 HydrophobicContact CD1-CB 3.92Å; L121-I150 HydrophobicContact CD1-CD1 4.49Å; L121-I150 HydrophobicContact CD1-CG2 3.47Å; L121-I150 VanDerWaalsContact CD1-CG2 3.47Å |
| 122 | F | 89 | Confident | 84.7 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70 | -45 | 174.5 | -61.5 | -24.2 | 0 | 0 | 0 | 110.9 | C118 L119 P120 T124 S125 R134 I137 N139 L140 L151 P700 | C118-F122 HydrophobicContact CB-CD2 4.34Å; C118-F122 HydrophobicContact CB-CE1 4.26Å; C118-F122 HydrophobicContact CB-CE2 3.8Å; C118-F122 HydrophobicContact CB-CZ 3.75Å; C118-F122 WeakPolarHBondContact O-CB 3.35Å; C118-F122 VanDerWaalsContact O-CD2 3.25Å; C118-F122 WeakPolarHBondContact O-CD2 3.46Å; C118-F122 WeakPolarHBondContact O-CG 3.35Å; C118-F122 PolarHBondContact O-N 3.46Å; L119-F122 PolarHBondContact O-N 2.71Å; P120-F122 VanDerWaalsContact C-N 3.34Å; P120-F122 PolarHBondContact O-N 3.02Å; F122-T124 VanDerWaalsContact C-N 3.25Å; F122-T124 PolarHBondContact O-N 3.46Å; F122-S125 PolarHBondContact O-N 3.15Å; F122-S125 VanDerWaalsContact O-N 3.13Å; F122-S125 PolarHBondContact O-OG 3.07Å; F122-R134 CarbonylContact C-O 3.15Å; F122-R134 VanDerWaalsContact O-O 3.13Å; F122-I137 HydrophobicContact CE1-CB 4.4Å; F122-I137 HydrophobicContact CE1-CG1 4.26Å; F122-I137 HydrophobicContact CE2-CB 4.33Å; F122-I137 HydrophobicContact CZ-CB 4.01Å; F122-I137 HydrophobicContact CZ-CG1 4.14Å; F122-N139 PolarHBondContact O-ND2 2.9Å; F122-L140 HydrophobicContact CD1-CD1 4.28Å; F122-L140 HydrophobicContact CD1-CD2 4.23Å; F122-L140 HydrophobicContact CD1-CG 4.02Å; F122-L140 HydrophobicContact CE1-CD1 3.86Å; F122-L140 HydrophobicContact CE1-CG 4.12Å; F122-L151 HydrophobicContact CE1-CD1 4.35Å; F122-L151 HydrophobicContact CE1-CD2 4.22Å; F122-L151 HydrophobicContact CZ-CD1 3.99Å; F122-L151 HydrophobicContact CZ-CD2 4.23Å; F122-P700 HydrophobicContact CD2-CG 3.96Å; F122-P700 HydrophobicContact CE2-CG 3.6Å |
| 123 | F | 87.2 | Confident | 83.9 | Confident | 117 Ų | 117 | 64.7 Ų | 64.7 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.5 | -37 | -178.8 | -175.7 | -98.5 | 0 | 0 | 0 | 113.1 | L119 P120 S125 R134 I135 | L119-F123 WeakPolarHBondContact O-CB 3.3Å; L119-F123 PolarHBondContact O-N 3.15Å; P120-F123 PolarHBondContact O-N 3.18Å; F123-S125 VanDerWaalsContact C-N 3.31Å; F123-S125 PolarHBondContact O-N 3.02Å; F123-R134 VanDerWaalsContact CA-O 3.27Å; F123-R134 WeakPolarHBondContact CA-O 3.29Å; F123-R134 HydrophobicContact CD2-CB 4.28Å; F123-R134 PolarHBondContact N-O 3.38Å; F123-I135 HydrophobicContact CD2-CG2 4.34Å |
| 124 | T | 85.8 | Confident | 83.4 | Confident | 87 Ų | 87 | 65.8 Ų | 65.8 | 53% | 0.534 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -0.5 | -178.4 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | P120 L121 F122 R147 | P120-T124 WeakPolarHBondContact O-CB 3.46Å; P120-T124 VanDerWaalsContact O-CG2 3.3Å; P120-T124 WeakPolarHBondContact O-CG2 3.25Å; P120-T124 PolarHBondContact O-N 3.07Å; P120-T124 PolarHBondContact O-OG1 2.95Å; L121-T124 PolarHBondContact O-OG1 2.95Å; F122-T124 VanDerWaalsContact C-N 3.25Å; F122-T124 PolarHBondContact O-N 3.46Å; T124-R147 PolarHBondContact O-NH2 2.71Å |
| 125 | S | 81.4 | Confident | 83 | Confident | 17 Ų | 17 | 66.6 Ų | 66.6 | 12% | 0.119 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -60.8 | -167.4 | 67.1 | 0 | 0 | 0 | 0 | 115.1 | F122 F123 N139 R147 | F122-S125 PolarHBondContact O-N 3.15Å; F122-S125 VanDerWaalsContact O-N 3.13Å; F122-S125 PolarHBondContact O-OG 3.07Å; F123-S125 VanDerWaalsContact C-N 3.31Å; F123-S125 PolarHBondContact O-N 3.02Å; S125-N139 WeakPolarHBondContact OG-CB 3.33Å; S125-N139 PolarHBondContact OG-ND2 3.41Å; S125-N139 PolarHBondContact OG-O 3.39Å; S125-R147 VanDerWaalsContact CA-CZ 3.43Å; S125-R147 PolarHBondContact O-NH1 3.1Å; S125-R147 VanDerWaalsContact O-NH1 3.1Å |
| 126 | Q | 74.4 | Confident | 82.7 | Confident | 106 Ų | 106 | 64.3 Ų | 64.3 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | trans | -137 | 149.7 | 177.8 | -169.4 | 173.1 | 1.8 | 0 | 0 | 109.1 | S128 N139 | Q126-S128 PolarHBondContact O-N 3.39Å; Q126-N139 WeakPolarHBondContact CB-O 3.49Å; Q126-N139 PolarHBondContact N-ND2 2.98Å; Q126-N139 VanDerWaalsContact O-CG 3.26Å; Q126-N139 PolarHBondContact O-ND2 3.3Å; Q126-N139 PolarHBondContact O-OD1 2.81Å | ||
| 127 | E | 69.1 | Low | 82.3 | Confident | 190 Ų | 190 | 60.1 Ų | 60.1 | 89% | 0.888 | 30% | 0.301 | S | S | * | . | trans | -79.6 | 113.6 | 169.3 | -72.2 | -175.2 | 172.5 | 0 | 0 | 109.2 | ||||
| 128 | S | 68.7 | Low | 81.9 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 11% | 0.112 | 29% | 0.285 | C | S | . | . | trans | -107.5 | 139 | 169.7 | -174.7 | 0 | 0 | 0 | 0 | 110 | Q126 N130 R134 | Q126-S128 PolarHBondContact O-N 3.39Å; S128-N130 PolarHBondContact O-N 3.01Å; S128-N130 PolarHBondContact OG-N 3.11Å; S128-R134 WeakPolarHBondContact O-CD 3.43Å; S128-R134 WeakPolarHBondContact O-CG 3.49Å; S128-R134 PolarHBondContact O-NH1 2.9Å | ||
| 129 | D | 65.9 | Low | 81.7 | Confident | 157 Ų | 157 | 56.9 Ų | 56.9 | 84% | 0.84 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -58 | -35.4 | 173 | -62.5 | -29.2 | 0 | 0 | 0 | 111.9 | E131 | D129-E131 PolarHBondContact O-N 3.4Š|
| 130 | N | 71.3 | Confident | 81.5 | Confident | 94 Ų | 94 | 54.9 Ų | 54.9 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -81.5 | 110.4 | 179.4 | -72.3 | -7.3 | 0 | 0 | 0 | 110.1 | S128 F132 R133 R134 | S128-N130 PolarHBondContact O-N 3.01Å; S128-N130 PolarHBondContact OG-N 3.11Å; N130-F132 VanDerWaalsContact C-N 3.26Å; N130-F132 PolarHBondContact O-N 3.21Å; N130-R133 HydrophobicContact CB-CB 3.83Å; N130-R133 WeakPolarHBondContact O-CB 3.32Å; N130-R133 PolarHBondContact O-N 3.4Å; N130-R134 PolarHBondContact O-N 2.92Å |
| 131 | E | 78.5 | Confident | 80.8 | Confident | 100 Ų | 100 | 52.2 Ų | 52.2 | 47% | 0.467 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57 | -38.4 | -178.8 | -48.9 | -165.2 | 137.6 | 0 | 0 | 113.1 | F21 D129 R134 | F21-E131 HydrophobicContact CD2-CB 3.94Å; F21-E131 HydrophobicContact CE2-CB 4.26Å; D129-E131 PolarHBondContact O-N 3.4Å; E131-R134 PolarHBondContact O-N 2.84Å; E131-R134 IonicContact OE1-NH2 3.33Å |
| 132 | F | 81.4 | Confident | 80.1 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.9 | -47 | 175.2 | -179.4 | -104.7 | 0 | 0 | 0 | 111.2 | F21 E22 N130 R134 I135 T136 A624 I627 | F21-F132 AromaticContact CD1-CD2 3.77Å; F21-F132 HydrophobicContact CD1-CD2 3.77Å; F21-F132 HydrophobicContact CD2-CB 4.07Å; F21-F132 AromaticContact CE1-CD2 3.45Å; F21-F132 HydrophobicContact CE1-CD2 3.45Å; F21-F132 VanDerWaalsContact CE1-CD2 3.45Å; F21-F132 HydrophobicContact CE1-CE2 4.11Å; F21-F132 HydrophobicContact CE1-CG 4.49Å; F21-F132 HydrophobicContact CE2-CB 4.11Å; F21-F132 HydrophobicContact CE2-CD2 4.34Å; F21-F132 HydrophobicContact CG-CB 4.29Å; F21-F132 HydrophobicContact CG-CD2 4.37Å; F21-F132 HydrophobicContact CZ-CB 4.38Å; F21-F132 AromaticContact CZ-CD2 3.77Å; F21-F132 HydrophobicContact CZ-CD2 3.77Å; E22-F132 HydrophobicContact CB-CG 4.44Å; E22-F132 HydrophobicContact CG-CB 4Å; E22-F132 HydrophobicContact CG-CD1 3.96Å; E22-F132 HydrophobicContact CG-CG 3.97Å; E22-F132 WeakPolarHBondContact OE1-CD1 3.3Å; N130-F132 VanDerWaalsContact C-N 3.26Å; N130-F132 PolarHBondContact O-N 3.21Å; F132-R134 PolarHBondContact O-N 3.14Å; F132-I135 WeakPolarHBondContact O-CG1 3.3Å; F132-I135 PolarHBondContact O-N 2.82Å; F132-I135 VanDerWaalsContact O-N 3.13Å; F132-T136 HydrophobicContact CD1-CG2 4.22Å; F132-T136 HydrophobicContact CE1-CG2 3.83Å; F132-T136 HydrophobicContact CZ-CG2 4Å; F132-T136 WeakPolarHBondContact O-CG2 3.37Å; F132-A624 HydrophobicContact CD1-CB 4.44Å; F132-A624 HydrophobicContact CE1-CB 3.81Å; F132-A624 HydrophobicContact CE2-CB 4.28Å; F132-A624 HydrophobicContact CZ-CB 3.73Å; F132-I627 HydrophobicContact CE2-CD1 3.68Å; F132-I627 HydrophobicContact CZ-CD1 3.84Å |
| 133 | R | 80.6 | Confident | 79.5 | Confident | 82 Ų | 82 | 60.7 Ų | 60.7 | 31% | 0.309 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.2 | -34.5 | -178.1 | -174.4 | 173.3 | 162.7 | -170.4 | -5.3 | 112 | N130 I135 T136 A138 | N130-R133 HydrophobicContact CB-CB 3.83Å; N130-R133 WeakPolarHBondContact O-CB 3.32Å; N130-R133 PolarHBondContact O-N 3.4Å; R133-I135 PolarHBondContact O-N 3.07Å; R133-I135 VanDerWaalsContact O-N 3.16Å; R133-T136 PolarHBondContact O-N 3.15Å; R133-T136 VanDerWaalsContact O-N 3.08Å; R133-T136 PolarHBondContact O-OG1 3.26Å; R133-A138 HydrophobicContact CG-CB 3.86Å |
| 134 | R | 84.3 | Confident | 79.2 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 24% | 0.238 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.3 | -29.8 | 178.2 | -67 | -164.8 | -67.5 | -112 | 9.5 | 113.7 | F122 F123 S128 N130 E131 F132 N139 | F122-R134 CarbonylContact C-O 3.15Å; F122-R134 VanDerWaalsContact O-O 3.13Å; F123-R134 VanDerWaalsContact CA-O 3.27Å; F123-R134 WeakPolarHBondContact CA-O 3.29Å; F123-R134 HydrophobicContact CD2-CB 4.28Å; F123-R134 PolarHBondContact N-O 3.38Å; S128-R134 WeakPolarHBondContact O-CD 3.43Å; S128-R134 WeakPolarHBondContact O-CG 3.49Å; S128-R134 PolarHBondContact O-NH1 2.9Å; N130-R134 PolarHBondContact O-N 2.92Å; E131-R134 PolarHBondContact O-N 2.84Å; E131-R134 IonicContact OE1-NH2 3.33Å; F132-R134 PolarHBondContact O-N 3.14Å; R134-N139 PolarHBondContact O-ND2 3.01Å |
| 135 | I | 86.1 | Confident | 79.3 | Confident | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.108 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 10.1 | -178.3 | 66.4 | 142.9 | 0 | 0 | 0 | 113.9 | F21 L119 F123 F132 R133 I701 | F21-I135 HydrophobicContact CE1-CD1 4.07Å; F21-I135 HydrophobicContact CE2-CD1 4.48Å; F21-I135 HydrophobicContact CE2-CG1 4.38Å; F21-I135 HydrophobicContact CZ-CD1 3.45Å; F21-I135 VanDerWaalsContact CZ-CD1 3.45Å; F21-I135 HydrophobicContact CZ-CG1 3.75Å; L119-I135 HydrophobicContact CD1-CB 3.78Å; L119-I135 HydrophobicContact CD1-CD1 4.26Å; L119-I135 HydrophobicContact CD1-CG2 4.21Å; F123-I135 HydrophobicContact CD2-CG2 4.34Å; F132-I135 WeakPolarHBondContact O-CG1 3.3Å; F132-I135 PolarHBondContact O-N 2.82Å; F132-I135 VanDerWaalsContact O-N 3.13Å; R133-I135 PolarHBondContact O-N 3.07Å; R133-I135 VanDerWaalsContact O-N 3.16Å; I135-I701 HydrophobicContact CD1-CB 3.92Å; I135-I701 HydrophobicContact CD1-CD1 4.08Å; I135-I701 HydrophobicContact CD1-CG2 3.81Å |
| 136 | T | 87.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -115.7 | 164.3 | -177 | 67.9 | 0 | 0 | 0 | 0 | 111.1 | F132 R133 A138 N139 P620 V698 C699 | F132-T136 HydrophobicContact CD1-CG2 4.22Å; F132-T136 HydrophobicContact CE1-CG2 3.83Å; F132-T136 HydrophobicContact CZ-CG2 4Å; F132-T136 WeakPolarHBondContact O-CG2 3.37Å; R133-T136 PolarHBondContact O-N 3.15Å; R133-T136 VanDerWaalsContact O-N 3.08Å; R133-T136 PolarHBondContact O-OG1 3.26Å; T136-A138 PolarHBondContact O-N 3.36Å; T136-A138 PolarHBondContact OG1-N 3.4Å; T136-N139 WeakPolarHBondContact O-CB 3.5Å; T136-N139 PolarHBondContact O-N 3.09Å; T136-P620 HydrophobicContact CG2-CB 4.47Å; T136-V698 WeakPolarHBondContact CA-O 3.28Å; T136-C699 HydrophobicContact CG2-CB 4.28Å; T136-C699 WeakPolarHBondContact CG2-SG 3.47Å |
| 137 | I | 86.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -55.5 | -24.4 | 175 | -161 | 176.3 | 0 | 0 | 0 | 112.9 | F122 N139 L140 L151 V698 V770 F773 Y774 | F122-I137 HydrophobicContact CE1-CB 4.4Å; F122-I137 HydrophobicContact CE1-CG1 4.26Å; F122-I137 HydrophobicContact CE2-CB 4.33Å; F122-I137 HydrophobicContact CZ-CB 4.01Å; F122-I137 HydrophobicContact CZ-CG1 4.14Å; I137-N139 PolarHBondContact O-N 2.92Å; I137-N139 VanDerWaalsContact O-N 3.15Å; I137-L140 HydrophobicContact CG1-CD1 3.92Å; I137-L140 WeakPolarHBondContact O-CB 3.43Å; I137-L140 PolarHBondContact O-N 3.11Å; I137-L140 VanDerWaalsContact O-N 3.1Å; I137-L151 HydrophobicContact CD1-CD2 3.59Å; I137-L151 HydrophobicContact CG1-CD2 3.99Å; I137-V698 HydrophobicContact CG2-CB 4.24Å; I137-V698 HydrophobicContact CG2-CG1 3.68Å; I137-V698 PolarHBondContact N-O 3.32Å; I137-V770 HydrophobicContact CD1-CG1 4.05Å; I137-V770 HydrophobicContact CD1-CG2 4.4Å; I137-F773 HydrophobicContact CB-CZ 4.45Å; I137-F773 HydrophobicContact CD1-CD1 3.65Å; I137-F773 HydrophobicContact CD1-CE1 3.94Å; I137-F773 HydrophobicContact CD1-CG 4.12Å; I137-F773 HydrophobicContact CG1-CD1 3.92Å; I137-F773 HydrophobicContact CG1-CE1 3.68Å; I137-F773 HydrophobicContact CG1-CG 4.45Å; I137-F773 HydrophobicContact CG1-CZ 4.02Å; I137-F773 HydrophobicContact CG2-CD1 4.43Å; I137-F773 HydrophobicContact CG2-CD2 3.88Å; I137-F773 HydrophobicContact CG2-CE1 4.44Å; I137-F773 HydrophobicContact CG2-CE2 3.87Å; I137-F773 HydrophobicContact CG2-CG 4.15Å; I137-F773 HydrophobicContact CG2-CZ 4.14Å; I137-F773 WeakPolarHBondContact O-CZ 3.46Å; I137-Y774 HydrophobicContact CD1-CE2 4.47Å |
| 138 | A | 82.7 | Confident | 81.3 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -63.3 | -16.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R133 T136 L140 P620 F773 | R133-A138 HydrophobicContact CG-CB 3.86Å; T136-A138 PolarHBondContact O-N 3.36Å; T136-A138 PolarHBondContact OG1-N 3.4Å; A138-L140 VanDerWaalsContact C-N 3.27Å; A138-P620 HydrophobicContact CB-CB 4.1Å; A138-P620 HydrophobicContact CB-CG 3.12Å; A138-F773 HydrophobicContact CB-CE2 4.43Å |
| 139 | N | 85.9 | Confident | 82.5 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -76.8 | -16.7 | 176.5 | -150.1 | 36.7 | 0 | 0 | 0 | 112.9 | F122 S125 Q126 R134 T136 I137 G141 | F122-N139 PolarHBondContact O-ND2 2.9Å; S125-N139 WeakPolarHBondContact OG-CB 3.33Å; S125-N139 PolarHBondContact OG-ND2 3.41Å; S125-N139 PolarHBondContact OG-O 3.39Å; Q126-N139 WeakPolarHBondContact CB-O 3.49Å; Q126-N139 PolarHBondContact N-ND2 2.98Å; Q126-N139 VanDerWaalsContact O-CG 3.26Å; Q126-N139 PolarHBondContact O-ND2 3.3Å; Q126-N139 PolarHBondContact O-OD1 2.81Å; R134-N139 PolarHBondContact O-ND2 3.01Å; T136-N139 WeakPolarHBondContact O-CB 3.5Å; T136-N139 PolarHBondContact O-N 3.09Å; I137-N139 PolarHBondContact O-N 2.92Å; I137-N139 VanDerWaalsContact O-N 3.15Å; N139-G141 PolarHBondContact O-N 3.43Å |
| 140 | L | 84.9 | Confident | 83.8 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -64.4 | 123.5 | 173.3 | -69.1 | 177.6 | 0 | 0 | 0 | 109.4 | L121 F122 I137 A138 R147 L151 R777 | L121-L140 HydrophobicContact CD2-CD2 3.8Å; F122-L140 HydrophobicContact CD1-CD1 4.28Å; F122-L140 HydrophobicContact CD1-CD2 4.23Å; F122-L140 HydrophobicContact CD1-CG 4.02Å; F122-L140 HydrophobicContact CE1-CD1 3.86Å; F122-L140 HydrophobicContact CE1-CG 4.12Å; I137-L140 HydrophobicContact CG1-CD1 3.92Å; I137-L140 WeakPolarHBondContact O-CB 3.43Å; I137-L140 PolarHBondContact O-N 3.11Å; I137-L140 VanDerWaalsContact O-N 3.1Å; A138-L140 VanDerWaalsContact C-N 3.27Å; L140-R147 HydrophobicContact CD2-CB 3.7Å; L140-L151 HydrophobicContact CD1-CD2 4.14Å; L140-R777 PolarHBondContact O-NH1 3.16Å; L140-R777 PolarHBondContact O-NH2 3.42Å |
| 141 | G | 76.6 | Confident | 84.8 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | trans | -67.5 | 172.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | N139 T143 D144 R777 | N139-G141 PolarHBondContact O-N 3.43Å; G141-T143 VanDerWaalsContact C-N 3.32Å; G141-D144 PolarHBondContact N-OD2 3.27Å; G141-R777 PolarHBondContact O-NH1 3.15Å | ||
| 142 | I | 74.9 | Confident | 85.5 | Confident | 96 Ų | 96 | 39.8 Ų | 39.8 | 49% | 0.492 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -75 | -27.1 | 175.3 | -63.1 | 169.9 | 0 | 0 | 0 | 111.2 | S780 L783 | I142-S780 VanDerWaalsContact CG2-CB 3.43Å; I142-S780 VanDerWaalsContact CG2-OG 3.3Å; I142-S780 WeakPolarHBondContact CG2-OG 3.35Å; I142-L783 HydrophobicContact CG2-CD1 4.1Å; I142-L783 WeakPolarHBondContact O-CG 3.45Å |
| 143 | T | 75.4 | Confident | 86.1 | Confident | 100 Ų | 100 | 43.2 Ų | 43.2 | 61% | 0.613 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -91.3 | -6.1 | 179.3 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | G141 I145 | G141-T143 VanDerWaalsContact C-N 3.32Å; T143-I145 PolarHBondContact O-N 3.03Å |
| 144 | D | 82.7 | Confident | 86.8 | Confident | 31 Ų | 31 | 39.9 Ų | 39.9 | 17% | 0.166 | 21% | 0.208 | C | C | . | . | trans | -81.6 | 57.3 | -173.5 | -81.3 | -9.9 | 0 | 0 | 0 | 112.9 | G141 S146 R147 G148 | G141-D144 PolarHBondContact N-OD2 3.27Å; D144-S146 PolarHBondContact O-N 2.89Å; D144-R147 HydrophobicContact CB-CB 4.46Å; D144-R147 IonicContact OD1-NH1 2.96Å; D144-R147 PolarHBondContact OD1-NH1 3.11Å; D144-R147 IonicContact OD2-NH1 3.61Å; D144-R147 PolarHBondContact OD2-NH1 3.44Å; D144-G148 PolarHBondContact O-N 3.05Å | ||
| 145 | I | 86.4 | Confident | 87.3 | Confident | 54 Ų | 54 | 37.2 Ų | 37.2 | 28% | 0.277 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.4 | -43 | -176.5 | -55.3 | 168.5 | 0 | 0 | 0 | 111.3 | T143 R147 G148 W149 E782 L786 | T143-I145 PolarHBondContact O-N 3.03Å; I145-R147 PolarHBondContact O-N 3.45Å; I145-G148 PolarHBondContact O-N 3.13Å; I145-W149 PolarHBondContact O-N 3.3Å; I145-E782 HydrophobicContact CD1-CB 3.74Å; I145-E782 HydrophobicContact CD1-CG 4.25Å; I145-E782 HydrophobicContact CG1-CB 4.28Å; I145-L786 HydrophobicContact CG2-CD1 4Å |
| 146 | S | 88.9 | Confident | 87.8 | Confident | 81 Ų | 81 | 38.5 Ų | 38.5 | 57% | 0.566 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -61.3 | -45.4 | -176.7 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | D144 G148 W149 I150 | D144-S146 PolarHBondContact O-N 2.89Å; S146-G148 VanDerWaalsContact C-N 3.32Å; S146-G148 PolarHBondContact O-N 3.47Å; S146-W149 PolarHBondContact O-N 2.76Å; S146-I150 WeakPolarHBondContact O-CG1 3.41Å; S146-I150 PolarHBondContact O-N 3.2Å |
| 147 | R | 89.5 | Confident | 88.2 | Confident | 61 Ų | 61 | 41.9 Ų | 41.9 | 23% | 0.23 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.3 | -35.7 | 175.6 | -68.2 | -179.9 | 179 | 139.9 | -10.5 | 112.1 | L121 T124 S125 L140 D144 I145 I150 L151 | L121-R147 HydrophobicContact CD2-CB 4.05Å; L121-R147 HydrophobicContact CD2-CG 4.44Å; L121-R147 HydrophobicContact CG-CB 4.42Å; L121-R147 HydrophobicContact CG-CG 4.39Å; T124-R147 PolarHBondContact O-NH2 2.71Å; S125-R147 VanDerWaalsContact CA-CZ 3.43Å; S125-R147 PolarHBondContact O-NH1 3.1Å; S125-R147 VanDerWaalsContact O-NH1 3.1Å; L140-R147 HydrophobicContact CD2-CB 3.7Å; D144-R147 HydrophobicContact CB-CB 4.46Å; D144-R147 IonicContact OD1-NH1 2.96Å; D144-R147 PolarHBondContact OD1-NH1 3.11Å; D144-R147 IonicContact OD2-NH1 3.61Å; D144-R147 PolarHBondContact OD2-NH1 3.44Å; I145-R147 PolarHBondContact O-N 3.45Å; R147-I150 PolarHBondContact O-N 3.41Å; R147-L151 PolarHBondContact O-N 3.44Å |
| 148 | G | 89.2 | Confident | 88.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | D144 I145 S146 L151 Y152 Y774 Y790 | D144-G148 PolarHBondContact O-N 3.05Å; I145-G148 PolarHBondContact O-N 3.13Å; S146-G148 VanDerWaalsContact C-N 3.32Å; S146-G148 PolarHBondContact O-N 3.47Å; G148-L151 PolarHBondContact O-N 3.47Å; G148-Y152 WeakPolarHBondContact O-CB 3.16Å; G148-Y152 PolarHBondContact O-N 3.36Å; G148-Y774 WeakPolarHBondContact CA-OH 3.29Å; G148-Y790 PolarHBondContact O-OH 3.19Å |
| 149 | W | 93 | Very high | 89.3 | Confident | 101 Ų | 101 | 42.5 Ų | 42.5 | 38% | 0.383 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.5 | -37.7 | 174.3 | -75.7 | 111.9 | 0 | 0 | 0 | 113 | I145 S146 L151 Y152 T153 P785 L786 A789 | I145-W149 PolarHBondContact O-N 3.3Å; S146-W149 PolarHBondContact O-N 2.76Å; W149-L151 VanDerWaalsContact C-N 3.35Å; W149-Y152 AromaticContact CE3-CD1 4Å; W149-Y152 HydrophobicContact CE3-CD1 4Å; W149-Y152 HydrophobicContact CE3-CG 4.37Å; W149-Y152 HydrophobicContact CZ3-CD1 4.03Å; W149-Y152 HydrophobicContact CZ3-CE1 4.2Å; W149-Y152 WeakPolarHBondContact O-CB 3.38Å; W149-Y152 PolarHBondContact O-N 2.87Å; W149-T153 WeakPolarHBondContact O-CG2 3.43Å; W149-T153 PolarHBondContact O-N 3.48Å; W149-T153 PolarHBondContact O-OG1 2.89Å; W149-P785 HydrophobicContact CZ2-CB 4.3Å; W149-L786 HydrophobicContact CD2-CD2 3.5Å; W149-L786 VanDerWaalsContact CD2-CD2 3.5Å; W149-L786 HydrophobicContact CD2-CG 4.37Å; W149-L786 HydrophobicContact CE3-CD2 3.89Å; W149-L786 HydrophobicContact CG-CD2 3.8Å; W149-L786 HydrophobicContact CH2-CD2 4.39Å; W149-L786 HydrophobicContact CZ2-CD2 4.04Å; W149-L786 HydrophobicContact CZ2-CG 4.28Å; W149-L786 HydrophobicContact CZ3-CD2 4.32Å; W149-A789 HydrophobicContact CH2-CB 3.94Å; W149-A789 HydrophobicContact CZ3-CB 4.03Å |
| 150 | I | 93.3 | Very high | 89.7 | Confident | 77 Ų | 77 | 46.9 Ų | 46.9 | 40% | 0.395 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 173.5 | -65.3 | 166.1 | 0 | 0 | 0 | 110.3 | L121 S146 R147 Y152 T153 I154 | L121-I150 HydrophobicContact CD1-CB 3.92Å; L121-I150 HydrophobicContact CD1-CD1 4.49Å; L121-I150 HydrophobicContact CD1-CG2 3.47Å; L121-I150 VanDerWaalsContact CD1-CG2 3.47Å; S146-I150 WeakPolarHBondContact O-CG1 3.41Å; S146-I150 PolarHBondContact O-N 3.2Å; R147-I150 PolarHBondContact O-N 3.41Å; I150-Y152 VanDerWaalsContact C-N 3.32Å; I150-Y152 PolarHBondContact O-N 3.35Å; I150-T153 PolarHBondContact O-N 2.99Å; I150-T153 PolarHBondContact O-OG1 3.45Å; I150-I154 HydrophobicContact CG2-CD1 3.66Å; I150-I154 HydrophobicContact CG2-CG1 4.49Å; I150-I154 WeakPolarHBondContact O-CD1 3.22Å; I150-I154 VanDerWaalsContact O-CG1 3.23Å; I150-I154 WeakPolarHBondContact O-CG1 3.13Å; I150-I154 PolarHBondContact O-N 3.34Å; I150-I154 VanDerWaalsContact O-N 3.09Å |
| 151 | L | 92.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 175.3 | 179.5 | 64.2 | 0 | 0 | 0 | 111.5 | C118 F122 I137 L140 R147 G148 W149 I154 I155 Y790 | C118-L151 HydrophobicContact CB-CD1 4.29Å; C118-L151 WeakPolarHBondContact SG-CD1 3.43Å; F122-L151 HydrophobicContact CE1-CD1 4.35Å; F122-L151 HydrophobicContact CE1-CD2 4.22Å; F122-L151 HydrophobicContact CZ-CD1 3.99Å; F122-L151 HydrophobicContact CZ-CD2 4.23Å; I137-L151 HydrophobicContact CD1-CD2 3.59Å; I137-L151 HydrophobicContact CG1-CD2 3.99Å; L140-L151 HydrophobicContact CD1-CD2 4.14Å; R147-L151 PolarHBondContact O-N 3.44Å; G148-L151 PolarHBondContact O-N 3.47Å; W149-L151 VanDerWaalsContact C-N 3.35Å; L151-I154 PolarHBondContact O-N 3.5Å; L151-I155 HydrophobicContact CD1-CD1 3.82Å; L151-I155 HydrophobicContact CD1-CG1 4.11Å; L151-I155 HydrophobicContact CD2-CD1 4.31Å; L151-I155 HydrophobicContact CG-CD1 3.68Å; L151-I155 HydrophobicContact CG-CG1 4.36Å; L151-I155 WeakPolarHBondContact O-CB 3.39Å; L151-I155 VanDerWaalsContact O-CG1 3.24Å; L151-I155 WeakPolarHBondContact O-CG1 3.15Å; L151-I155 PolarHBondContact O-N 3.47Å; L151-Y790 WeakPolarHBondContact CG-OH 3.44Å |
| 152 | Y | 94 | Very high | 91 | Very high | 40 Ų | 40 | 50 Ų | 50 | 16% | 0.157 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 178 | 178.8 | -97.6 | 0 | 0 | 0 | 112.2 | G148 W149 I150 I155 I156 A789 Y790 L793 | G148-Y152 WeakPolarHBondContact O-CB 3.16Å; G148-Y152 PolarHBondContact O-N 3.36Å; W149-Y152 AromaticContact CE3-CD1 4Å; W149-Y152 HydrophobicContact CE3-CD1 4Å; W149-Y152 HydrophobicContact CE3-CG 4.37Å; W149-Y152 HydrophobicContact CZ3-CD1 4.03Å; W149-Y152 HydrophobicContact CZ3-CE1 4.2Å; W149-Y152 WeakPolarHBondContact O-CB 3.38Å; W149-Y152 PolarHBondContact O-N 2.87Å; I150-Y152 VanDerWaalsContact C-N 3.32Å; I150-Y152 PolarHBondContact O-N 3.35Å; Y152-I155 PolarHBondContact O-N 3.07Å; Y152-I156 HydrophobicContact CD1-CD1 3.84Å; Y152-I156 HydrophobicContact CE1-CD1 3.26Å; Y152-I156 HydrophobicContact CE1-CG1 4.43Å; Y152-I156 HydrophobicContact CE2-CD1 4.11Å; Y152-I156 HydrophobicContact CG-CD1 4.49Å; Y152-I156 VanDerWaalsContact CZ-CD1 3.41Å; Y152-I156 WeakPolarHBondContact O-CG1 3.21Å; Y152-I156 PolarHBondContact O-N 2.82Å; Y152-A789 HydrophobicContact CD2-CB 4.27Å; Y152-A789 HydrophobicContact CE2-CB 3.75Å; Y152-A789 WeakPolarHBondContact CE2-O 3.18Å; Y152-Y790 WeakPolarHBondContact CA-OH 3.1Å; Y152-Y790 AromaticContact CD2-CD1 3.95Å; Y152-Y790 HydrophobicContact CD2-CD1 3.95Å; Y152-Y790 HydrophobicContact CD2-CD2 4.36Å; Y152-Y790 AromaticContact CD2-CE1 3.77Å; Y152-Y790 HydrophobicContact CD2-CE1 3.77Å; Y152-Y790 HydrophobicContact CD2-CE2 4.19Å; Y152-Y790 HydrophobicContact CD2-CG 4.25Å; Y152-Y790 AromaticContact CD2-CZ 3.92Å; Y152-Y790 PolarHBondContact N-OH 3.39Å; Y152-Y790 VanDerWaalsContact N-OH 3.11Å; Y152-L793 HydrophobicContact CD2-CD2 4.11Å; Y152-L793 HydrophobicContact CE2-CB 3.96Å; Y152-L793 HydrophobicContact CE2-CD2 3.88Å; Y152-L793 HydrophobicContact CE2-CG 4.48Å |
| 153 | T | 94.6 | Very high | 91.9 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 47% | 0.472 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.9 | -38.7 | 178.9 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | W149 I150 I156 T157 | W149-T153 WeakPolarHBondContact O-CG2 3.43Å; W149-T153 PolarHBondContact O-N 3.48Å; W149-T153 PolarHBondContact O-OG1 2.89Å; I150-T153 PolarHBondContact O-N 2.99Å; I150-T153 PolarHBondContact O-OG1 3.45Å; T153-I156 PolarHBondContact O-N 3.41Å; T153-T157 WeakPolarHBondContact O-CG2 3.4Å; T153-T157 PolarHBondContact O-N 3.31Å; T153-T157 PolarHBondContact O-OG1 3.03Å; T153-T157 VanDerWaalsContact O-OG1 3.1Å |
| 154 | I | 94.9 | Very high | 92.6 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 175.7 | -64.7 | 162.2 | 0 | 0 | 0 | 111.2 | P113 I114 I117 I150 L151 T157 C158 | P113-I154 HydrophobicContact CB-CG2 4.37Å; I114-I154 HydrophobicContact CG1-CG2 3.8Å; I117-I154 HydrophobicContact CB-CD1 3.86Å; I117-I154 HydrophobicContact CD1-CD1 4.32Å; I117-I154 HydrophobicContact CD1-CG1 4.46Å; I117-I154 HydrophobicContact CG2-CD1 3.43Å; I117-I154 VanDerWaalsContact CG2-CD1 3.43Å; I150-I154 HydrophobicContact CG2-CD1 3.66Å; I150-I154 HydrophobicContact CG2-CG1 4.49Å; I150-I154 WeakPolarHBondContact O-CD1 3.22Å; I150-I154 VanDerWaalsContact O-CG1 3.23Å; I150-I154 WeakPolarHBondContact O-CG1 3.13Å; I150-I154 PolarHBondContact O-N 3.34Å; I150-I154 VanDerWaalsContact O-N 3.09Å; L151-I154 PolarHBondContact O-N 3.5Å; I154-T157 WeakPolarHBondContact CA-OG1 3.46Å; I154-T157 PolarHBondContact O-N 3.21Å; I154-T157 PolarHBondContact O-OG1 3.27Å; I154-C158 WeakPolarHBondContact O-CB 3.43Å; I154-C158 PolarHBondContact O-N 2.86Å; I154-C158 PolarHBondContact O-SG 3.13Å |
| 155 | I | 95.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 177.9 | -71.2 | 168.5 | 0 | 0 | 0 | 110.4 | L151 Y152 T157 C158 I159 P697 V770 Y790 L793 | L151-I155 HydrophobicContact CD1-CD1 3.82Å; L151-I155 HydrophobicContact CD1-CG1 4.11Å; L151-I155 HydrophobicContact CD2-CD1 4.31Å; L151-I155 HydrophobicContact CG-CD1 3.68Å; L151-I155 HydrophobicContact CG-CG1 4.36Å; L151-I155 WeakPolarHBondContact O-CB 3.39Å; L151-I155 VanDerWaalsContact O-CG1 3.24Å; L151-I155 WeakPolarHBondContact O-CG1 3.15Å; L151-I155 PolarHBondContact O-N 3.47Å; Y152-I155 PolarHBondContact O-N 3.07Å; I155-T157 PolarHBondContact O-N 3.44Å; I155-C158 PolarHBondContact O-N 2.9Å; I155-I159 HydrophobicContact CG2-CD1 3.53Å; I155-I159 HydrophobicContact CG2-CG1 4.26Å; I155-I159 WeakPolarHBondContact O-CB 3.44Å; I155-I159 WeakPolarHBondContact O-CD1 3.33Å; I155-I159 WeakPolarHBondContact O-CG1 3.12Å; I155-I159 PolarHBondContact O-N 3.17Å; I155-P697 HydrophobicContact CD1-CB 4.13Å; I155-P697 HydrophobicContact CG1-CB 4.4Å; I155-V770 HydrophobicContact CD1-CB 4.44Å; I155-V770 HydrophobicContact CD1-CG1 4.08Å; I155-V770 HydrophobicContact CD1-CG2 3.95Å; I155-Y790 HydrophobicContact CD1-CE1 3.96Å; I155-L793 HydrophobicContact CG2-CD2 3.94Å |
| 156 | I | 95.6 | Very high | 93.3 | Very high | 48 Ų | 48 | 46.2 Ų | 46.2 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.8 | -49.7 | 176.5 | -74.8 | 176.3 | 0 | 0 | 0 | 111.4 | Y152 T153 C158 I159 I160 L793 | Y152-I156 HydrophobicContact CD1-CD1 3.84Å; Y152-I156 HydrophobicContact CE1-CD1 3.26Å; Y152-I156 HydrophobicContact CE1-CG1 4.43Å; Y152-I156 HydrophobicContact CE2-CD1 4.11Å; Y152-I156 HydrophobicContact CG-CD1 4.49Å; Y152-I156 VanDerWaalsContact CZ-CD1 3.41Å; Y152-I156 WeakPolarHBondContact O-CG1 3.21Å; Y152-I156 PolarHBondContact O-N 2.82Å; T153-I156 PolarHBondContact O-N 3.41Å; I156-C158 VanDerWaalsContact C-N 3.32Å; I156-C158 PolarHBondContact O-N 2.87Å; I156-I159 PolarHBondContact O-N 3.22Å; I156-I160 HydrophobicContact CG2-CD1 3.78Å; I156-I160 HydrophobicContact CG2-CG1 4.49Å; I156-I160 WeakPolarHBondContact O-CG1 3.43Å; I156-I160 PolarHBondContact O-N 3.4Å; I156-L793 HydrophobicContact CD1-CD1 4.3Å; I156-L793 HydrophobicContact CG1-CD1 3.69Å; I156-L793 HydrophobicContact CG1-CD2 4.11Å |
| 157 | T | 95.4 | Very high | 93.1 | Very high | 72 Ų | 72 | 43.4 Ų | 43.4 | 44% | 0.442 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.6 | -42.5 | -179.8 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | T153 I154 I155 I160 L161 | T153-T157 WeakPolarHBondContact O-CG2 3.4Å; T153-T157 PolarHBondContact O-N 3.31Å; T153-T157 PolarHBondContact O-OG1 3.03Å; T153-T157 VanDerWaalsContact O-OG1 3.1Å; I154-T157 WeakPolarHBondContact CA-OG1 3.46Å; I154-T157 PolarHBondContact O-N 3.21Å; I154-T157 PolarHBondContact O-OG1 3.27Å; I155-T157 PolarHBondContact O-N 3.44Å; T157-I160 PolarHBondContact O-N 3.24Å; T157-L161 WeakPolarHBondContact O-CG 3.47Å; T157-L161 PolarHBondContact O-N 2.78Å |
| 158 | C | 96.3 | Very high | 93 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66 | -38.4 | 176.3 | -67.4 | 0 | 0 | 0 | 0 | 112.9 | L111 I114 I154 I155 I156 L161 Y162 | L111-C158 HydrophobicContact CD2-CB 4.13Å; I114-C158 HydrophobicContact CD1-CB 3.82Å; I114-C158 HydrophobicContact CG1-CB 4.22Å; I154-C158 WeakPolarHBondContact O-CB 3.43Å; I154-C158 PolarHBondContact O-N 2.86Å; I154-C158 PolarHBondContact O-SG 3.13Å; I155-C158 PolarHBondContact O-N 2.9Å; I156-C158 VanDerWaalsContact C-N 3.32Å; I156-C158 PolarHBondContact O-N 2.87Å; C158-L161 PolarHBondContact O-N 3.32Å; C158-Y162 WeakPolarHBondContact O-CB 3.42Å; C158-Y162 PolarHBondContact O-N 2.96Å |
| 159 | I | 95.2 | Very high | 92.8 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 11% | 0.108 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 174.6 | -71.1 | 160.6 | 0 | 0 | 0 | 110.5 | I155 I156 Y162 L163 V763 L793 T797 | I155-I159 HydrophobicContact CG2-CD1 3.53Å; I155-I159 HydrophobicContact CG2-CG1 4.26Å; I155-I159 WeakPolarHBondContact O-CB 3.44Å; I155-I159 WeakPolarHBondContact O-CD1 3.33Å; I155-I159 WeakPolarHBondContact O-CG1 3.12Å; I155-I159 PolarHBondContact O-N 3.17Å; I156-I159 PolarHBondContact O-N 3.22Å; I159-Y162 PolarHBondContact O-N 2.7Å; I159-L163 HydrophobicContact CG2-CD1 3.94Å; I159-L163 HydrophobicContact CG2-CG 4.39Å; I159-L163 WeakPolarHBondContact O-CB 3.28Å; I159-L163 VanDerWaalsContact O-CG 3.31Å; I159-L163 WeakPolarHBondContact O-CG 3.34Å; I159-L163 PolarHBondContact O-N 3.34Å; I159-V763 HydrophobicContact CG1-CG1 3.9Å; I159-V763 HydrophobicContact CG2-CG1 4.1Å; I159-L793 HydrophobicContact CD1-CD1 4.03Å; I159-L793 HydrophobicContact CD1-CD2 4.34Å; I159-L793 HydrophobicContact CD1-CG 4.38Å; I159-T797 HydrophobicContact CD1-CG2 3.65Å; I159-T797 HydrophobicContact CG1-CG2 4.43Å; I159-T797 HydrophobicContact CG2-CG2 4.06Å |
| 160 | I | 94.7 | Very high | 92.1 | Very high | 93 Ų | 93 | 41.1 Ų | 41.1 | 48% | 0.477 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.6 | -49.5 | 178.8 | -67.5 | 167.7 | 0 | 0 | 0 | 110.2 | I156 T157 Y162 L163 M164 | I156-I160 HydrophobicContact CG2-CD1 3.78Å; I156-I160 HydrophobicContact CG2-CG1 4.49Å; I156-I160 WeakPolarHBondContact O-CG1 3.43Å; I156-I160 PolarHBondContact O-N 3.4Å; T157-I160 PolarHBondContact O-N 3.24Å; I160-Y162 VanDerWaalsContact C-N 3.32Å; I160-Y162 PolarHBondContact O-N 3.05Å; I160-L163 PolarHBondContact O-N 3.03Å; I160-M164 HydrophobicContact CG2-SD 4.19Å; I160-M164 WeakPolarHBondContact O-CG 3.49Å; I160-M164 PolarHBondContact O-N 3.43Å |
| 161 | L | 94.6 | Very high | 91.2 | Very high | 78 Ų | 78 | 41.4 Ų | 41.4 | 41% | 0.408 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.4 | -44 | 176.3 | -70.5 | 173.6 | 0 | 0 | 0 | 111.4 | A110 T157 C158 L163 M164 M165 | A110-L161 HydrophobicContact CB-CB 3.9Å; T157-L161 WeakPolarHBondContact O-CG 3.47Å; T157-L161 PolarHBondContact O-N 2.78Å; C158-L161 PolarHBondContact O-N 3.32Å; L161-L163 PolarHBondContact O-N 2.93Å; L161-M164 PolarHBondContact O-N 3.43Å; L161-M165 VanDerWaalsContact O-CG 3.3Å; L161-M165 WeakPolarHBondContact O-CG 3.4Å; L161-M165 PolarHBondContact O-N 2.68Å |
| 162 | Y | 95.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -43.5 | 178.5 | -173.4 | -81 | 0 | 0 | 0 | 112 | Q107 L111 C158 I159 I160 M165 T166 H689 I693 S759 V763 | Q107-Y162 HydrophobicContact CB-CD2 4.06Å; Q107-Y162 HydrophobicContact CB-CE2 3.57Å; Q107-Y162 HydrophobicContact CG-CD2 4.48Å; Q107-Y162 HydrophobicContact CG-CE2 4.05Å; Q107-Y162 WeakPolarHBondContact O-CD2 3.26Å; Q107-Y162 PolarHBondContact OE1-OH 3.29Å; L111-Y162 HydrophobicContact CD2-CD2 4.49Å; C158-Y162 WeakPolarHBondContact O-CB 3.42Å; C158-Y162 PolarHBondContact O-N 2.96Å; I159-Y162 PolarHBondContact O-N 2.7Å; I160-Y162 VanDerWaalsContact C-N 3.32Å; I160-Y162 PolarHBondContact O-N 3.05Å; Y162-M165 PolarHBondContact O-N 3.3Å; Y162-T166 WeakPolarHBondContact CE1-OG1 3.32Å; Y162-T166 WeakPolarHBondContact O-CB 3.43Å; Y162-T166 PolarHBondContact O-N 3.44Å; Y162-T166 PolarHBondContact O-OG1 3.2Å; Y162-H689 PolarHBondContact OH-NE2 3.48Å; Y162-I693 HydrophobicContact CE2-CD1 3.57Å; Y162-I693 HydrophobicContact CE2-CG1 4.15Å; Y162-I693 WeakPolarHBondContact OH-CD1 3.44Å; Y162-S759 VanDerWaalsContact OH-CB 3.27Å; Y162-S759 WeakPolarHBondContact OH-CB 3.31Å; Y162-S759 PolarHBondContact OH-O 2.9Å; Y162-S759 PolarHBondContact OH-OG 3.1Å; Y162-V763 HydrophobicContact CD1-CG2 3.3Å; Y162-V763 HydrophobicContact CD2-CG2 4.37Å; Y162-V763 HydrophobicContact CE1-CG2 3.32Å; Y162-V763 HydrophobicContact CE2-CG2 4.38Å; Y162-V763 HydrophobicContact CG-CG2 3.86Å |
| 163 | L | 92.4 | Very high | 89.6 | Confident | 24 Ų | 24 | 41.8 Ų | 41.8 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -40.1 | 177.1 | -71.3 | 172.9 | 0 | 0 | 0 | 111.8 | I159 I160 L161 T166 G167 L760 I800 | I159-L163 HydrophobicContact CG2-CD1 3.94Å; I159-L163 HydrophobicContact CG2-CG 4.39Å; I159-L163 WeakPolarHBondContact O-CB 3.28Å; I159-L163 VanDerWaalsContact O-CG 3.31Å; I159-L163 WeakPolarHBondContact O-CG 3.34Å; I159-L163 PolarHBondContact O-N 3.34Å; I160-L163 PolarHBondContact O-N 3.03Å; L161-L163 PolarHBondContact O-N 2.93Å; L163-T166 WeakPolarHBondContact O-CB 3.45Å; L163-T166 PolarHBondContact O-N 3.39Å; L163-G167 PolarHBondContact O-N 3.2Å; L163-L760 HydrophobicContact CD2-CD2 3.69Å; L163-I800 HydrophobicContact CD1-CG2 3.65Å |
| 164 | M | 91.2 | Very high | 88.3 | Confident | 121 Ų | 121 | 39.3 Ų | 39.3 | 60% | 0.596 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -59.3 | -48.6 | 172.7 | -71.3 | 175.9 | 67.1 | 0 | 0 | 111.6 | I160 L161 T166 G167 L168 | I160-M164 HydrophobicContact CG2-SD 4.19Å; I160-M164 WeakPolarHBondContact O-CG 3.49Å; I160-M164 PolarHBondContact O-N 3.43Å; L161-M164 PolarHBondContact O-N 3.43Å; M164-T166 VanDerWaalsContact C-N 3.25Å; M164-T166 PolarHBondContact O-N 3.43Å; M164-G167 WeakPolarHBondContact O-CA 3.42Å; M164-G167 PolarHBondContact O-N 2.88Å; M164-G167 VanDerWaalsContact O-N 3.08Å; M164-L168 PolarHBondContact O-N 3.43Å |
| 165 | M | 92 | Very high | 87.1 | Confident | 57 Ų | 57 | 40.9 Ų | 40.9 | 28% | 0.281 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.2 | -34.5 | 176.6 | -66.8 | -53.5 | -72.7 | 0 | 0 | 112.3 | F106 Q107 A110 L161 Y162 G167 L168 C169 | F106-M165 HydrophobicContact CB-CE 3.65Å; F106-M165 HydrophobicContact CG-CE 4.38Å; Q107-M165 HydrophobicContact CG-CB 4.23Å; A110-M165 HydrophobicContact CB-CG 4.42Å; L161-M165 VanDerWaalsContact O-CG 3.3Å; L161-M165 WeakPolarHBondContact O-CG 3.4Å; L161-M165 PolarHBondContact O-N 2.68Å; Y162-M165 PolarHBondContact O-N 3.3Å; M165-G167 VanDerWaalsContact C-N 3.35Å; M165-L168 PolarHBondContact O-N 2.85Å; M165-L168 HydrophobicContact SD-CD1 3.96Å; M165-C169 WeakPolarHBondContact O-CB 3.39Å; M165-C169 PolarHBondContact O-N 2.87Å |
| 166 | T | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.1 | -38.4 | 174.6 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | Q107 Y162 L163 M164 C169 F170 T756 L760 F804 | Q107-T166 PolarHBondContact NE2-OG1 2.81Å; Y162-T166 WeakPolarHBondContact CE1-OG1 3.32Å; Y162-T166 WeakPolarHBondContact O-CB 3.43Å; Y162-T166 PolarHBondContact O-N 3.44Å; Y162-T166 PolarHBondContact O-OG1 3.2Å; L163-T166 WeakPolarHBondContact O-CB 3.45Å; L163-T166 PolarHBondContact O-N 3.39Å; M164-T166 VanDerWaalsContact C-N 3.25Å; M164-T166 PolarHBondContact O-N 3.43Å; T166-C169 WeakPolarHBondContact O-CB 3.32Å; T166-C169 PolarHBondContact O-N 3.1Å; T166-F170 HydrophobicContact CG2-CD2 4.18Å; T166-F170 HydrophobicContact CG2-CE2 3.84Å; T166-F170 WeakPolarHBondContact O-CD2 3.39Å; T166-F170 PolarHBondContact O-N 3.36Å; T166-T756 HydrophobicContact CG2-CG2 3.55Å; T166-L760 HydrophobicContact CG2-CD2 4.05Å; T166-F804 HydrophobicContact CG2-CD1 4.49Å; T166-F804 HydrophobicContact CG2-CE1 3.75Å |
| 167 | G | 85.9 | Confident | 84.7 | Confident | 21 Ų | 21 | 38.7 Ų | 38.7 | 22% | 0.216 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L163 M164 M165 C169 F170 T171 | L163-G167 PolarHBondContact O-N 3.2Å; M164-G167 WeakPolarHBondContact O-CA 3.42Å; M164-G167 PolarHBondContact O-N 2.88Å; M164-G167 VanDerWaalsContact O-N 3.08Å; M165-G167 VanDerWaalsContact C-N 3.35Å; G167-C169 VanDerWaalsContact C-N 3.34Å; G167-C169 PolarHBondContact O-N 2.66Å; G167-F170 WeakPolarHBondContact O-CB 3.32Å; G167-F170 PolarHBondContact O-N 3.02Å; G167-T171 PolarHBondContact O-N 3.28Å; G167-T171 PolarHBondContact O-OG1 3.46Å |
| 168 | L | 85.9 | Confident | 83.2 | Confident | 101 Ų | 101 | 42.5 Ų | 42.5 | 53% | 0.529 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 174.2 | -66.6 | 176.4 | 0 | 0 | 0 | 111.7 | M164 M165 F170 T171 E172 | M164-L168 PolarHBondContact O-N 3.43Å; M165-L168 PolarHBondContact O-N 2.85Å; M165-L168 HydrophobicContact SD-CD1 3.96Å; L168-F170 VanDerWaalsContact C-N 3.28Å; L168-F170 PolarHBondContact O-N 3.06Å; L168-T171 PolarHBondContact O-N 2.94Å; L168-E172 WeakPolarHBondContact O-CB 3.34Å; L168-E172 WeakPolarHBondContact O-CG 3.26Å; L168-E172 PolarHBondContact O-N 3.34Å |
| 169 | C | 86.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59 | -39.9 | 175.3 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | F103 M165 T166 G167 A173 T756 | F103-C169 HydrophobicContact CB-CB 4.19Å; F103-C169 VanDerWaalsContact CB-SG 3.54Å; F103-C169 HydrophobicContact CD1-CB 4.1Å; F103-C169 HydrophobicContact CG-CB 4.08Å; M165-C169 WeakPolarHBondContact O-CB 3.39Å; M165-C169 PolarHBondContact O-N 2.87Å; T166-C169 WeakPolarHBondContact O-CB 3.32Å; T166-C169 PolarHBondContact O-N 3.1Å; G167-C169 VanDerWaalsContact C-N 3.34Å; G167-C169 PolarHBondContact O-N 2.66Å; C169-A173 WeakPolarHBondContact O-CB 3.4Å; C169-A173 PolarHBondContact O-N 3.44Å; C169-T756 HydrophobicContact CB-CG2 4.22Å; C169-T756 PolarHBondContact SG-OG1 3.16Å; C169-T756 VanDerWaalsContact SG-OG1 3.35Å |
| 170 | F | 78.8 | Confident | 80.6 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 6% | 0.057 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64 | -45.7 | 173.8 | -82.3 | -60.5 | 0 | 0 | 0 | 112.6 | T166 G167 L168 A173 Y174 L753 T756 R757 F804 V808 | T166-F170 HydrophobicContact CG2-CD2 4.18Å; T166-F170 HydrophobicContact CG2-CE2 3.84Å; T166-F170 WeakPolarHBondContact O-CD2 3.39Å; T166-F170 PolarHBondContact O-N 3.36Å; G167-F170 WeakPolarHBondContact O-CB 3.32Å; G167-F170 PolarHBondContact O-N 3.02Å; L168-F170 VanDerWaalsContact C-N 3.28Å; L168-F170 PolarHBondContact O-N 3.06Å; F170-A173 VanDerWaalsContact O-CB 3.31Å; F170-A173 WeakPolarHBondContact O-CB 3.19Å; F170-A173 PolarHBondContact O-N 2.81Å; F170-Y174 WeakPolarHBondContact O-CD2 3.38Å; F170-Y174 WeakPolarHBondContact O-CE2 3.37Å; F170-L753 HydrophobicContact CD1-CD2 3.52Å; F170-L753 HydrophobicContact CE1-CB 4.44Å; F170-L753 HydrophobicContact CE1-CD2 3.71Å; F170-T756 HydrophobicContact CD1-CG2 4.12Å; F170-T756 HydrophobicContact CD2-CG2 3.69Å; F170-T756 HydrophobicContact CE1-CG2 3.73Å; F170-T756 HydrophobicContact CE2-CG2 3.26Å; F170-T756 HydrophobicContact CG-CG2 4.09Å; F170-T756 VanDerWaalsContact CZ-CB 3.44Å; F170-T756 HydrophobicContact CZ-CG2 3.29Å; F170-R757 HydrophobicContact CZ-CG 4.05Å; F170-F804 HydrophobicContact CD2-CD1 4.41Å; F170-F804 AromaticContact CD2-CE1 3.49Å; F170-F804 HydrophobicContact CD2-CE1 3.49Å; F170-F804 VanDerWaalsContact CD2-CE1 3.49Å; F170-F804 HydrophobicContact CD2-CZ 4.06Å; F170-F804 HydrophobicContact CE2-CD1 4.02Å; F170-F804 AromaticContact CE2-CE1 3.46Å; F170-F804 HydrophobicContact CE2-CE1 3.46Å; F170-F804 VanDerWaalsContact CE2-CE1 3.46Å; F170-F804 HydrophobicContact CE2-CZ 4.45Å; F170-V808 HydrophobicContact CD1-CG1 3.75Å; F170-V808 HydrophobicContact CD1-CG2 3.96Å; F170-V808 HydrophobicContact CD2-CG2 3.53Å; F170-V808 HydrophobicContact CE1-CB 4.18Å; F170-V808 HydrophobicContact CE1-CG1 3.29Å; F170-V808 HydrophobicContact CE1-CG2 3.82Å; F170-V808 HydrophobicContact CE2-CB 4.4Å; F170-V808 HydrophobicContact CE2-CG1 4.34Å; F170-V808 HydrophobicContact CE2-CG2 3.34Å; F170-V808 HydrophobicContact CG-CG1 4.47Å; F170-V808 HydrophobicContact CG-CG2 3.84Å; F170-V808 HydrophobicContact CZ-CB 4.1Å; F170-V808 HydrophobicContact CZ-CG1 3.62Å; F170-V808 HydrophobicContact CZ-CG2 3.5Å |
| 171 | T | 74.5 | Confident | 79.1 | Confident | 83 Ų | 83 | 54.5 Ų | 54.5 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 177.6 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | G167 L168 A173 Y174 T175 | G167-T171 PolarHBondContact O-N 3.28Å; G167-T171 PolarHBondContact O-OG1 3.46Å; L168-T171 PolarHBondContact O-N 2.94Å; T171-A173 VanDerWaalsContact C-N 3.35Å; T171-A173 PolarHBondContact O-N 3.18Å; T171-Y174 PolarHBondContact O-N 3.43Å; T171-T175 PolarHBondContact O-N 2.98Å; T171-T175 VanDerWaalsContact O-N 3.16Å; T171-T175 PolarHBondContact O-OG1 3.48Å |
| 172 | E | 77.8 | Confident | 77.6 | Confident | 48 Ų | 48 | 50.8 Ų | 50.8 | 22% | 0.224 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68 | -30.7 | 179.1 | -72.6 | -81.5 | 170.9 | 0 | 0 | 112.9 | F103 L168 Y174 T175 W176 K179 | F103-E172 HydrophobicContact CE1-CB 4.06Å; F103-E172 HydrophobicContact CE1-CG 4.05Å; F103-E172 HydrophobicContact CE2-CB 3.8Å; F103-E172 HydrophobicContact CZ-CB 3.27Å; F103-E172 HydrophobicContact CZ-CG 3.6Å; L168-E172 WeakPolarHBondContact O-CB 3.34Å; L168-E172 WeakPolarHBondContact O-CG 3.26Å; L168-E172 PolarHBondContact O-N 3.34Å; E172-Y174 PolarHBondContact O-N 3.22Å; E172-Y174 VanDerWaalsContact O-N 3.1Å; E172-T175 PolarHBondContact O-N 3.4Å; E172-W176 WeakPolarHBondContact O-CB 3.41Å; E172-W176 PolarHBondContact O-N 3.06Å; E172-K179 IonicContact OE1-NZ 3.62Å; E172-K179 PolarHBondContact OE1-NZ 3.41Å; E172-K179 IonicContact OE2-NZ 3.52Å; E172-K179 PolarHBondContact OE2-NZ 3.34Å |
| 173 | A | 74.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -52.9 | -32.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C169 F170 T171 W176 Y747 L749 F752 L753 | C169-A173 WeakPolarHBondContact O-CB 3.4Å; C169-A173 PolarHBondContact O-N 3.44Å; F170-A173 VanDerWaalsContact O-CB 3.31Å; F170-A173 WeakPolarHBondContact O-CB 3.19Å; F170-A173 PolarHBondContact O-N 2.81Å; T171-A173 VanDerWaalsContact C-N 3.35Å; T171-A173 PolarHBondContact O-N 3.18Å; A173-W176 PolarHBondContact O-NE1 3.3Å; A173-Y747 PolarHBondContact O-OH 2.84Å; A173-L749 HydrophobicContact CB-CD1 4.16Å; A173-F752 HydrophobicContact CB-CD1 3.32Å; A173-F752 HydrophobicContact CB-CE1 3.29Å; A173-F752 HydrophobicContact CB-CG 4.19Å; A173-F752 HydrophobicContact CB-CZ 4.1Å; A173-L753 HydrophobicContact CB-CD2 4.17Å |
| 174 | Y | 67.8 | Low | 73.8 | Confident | 25 Ų | 25 | 51.9 Ų | 51.9 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -88.6 | -48.7 | 174.8 | -56.3 | -90.9 | 0 | 0 | 0 | 111.1 | F170 T171 E172 W176 P177 H428 L749 L753 L812 | F170-Y174 WeakPolarHBondContact O-CD2 3.38Å; F170-Y174 WeakPolarHBondContact O-CE2 3.37Å; T171-Y174 PolarHBondContact O-N 3.43Å; E172-Y174 PolarHBondContact O-N 3.22Å; E172-Y174 VanDerWaalsContact O-N 3.1Å; Y174-W176 VanDerWaalsContact C-N 3.31Å; Y174-W176 PolarHBondContact O-N 3.05Å; Y174-P177 WeakPolarHBondContact O-CD 3.39Å; Y174-H428 VanDerWaalsContact C-CE1 3.48Å; Y174-H428 WeakPolarHBondContact CA-NE2 3.39Å; Y174-H428 PolarHBondContact O-CE1 3.09Å; Y174-H428 PolarHBondContact O-NE2 3.11Å; Y174-L749 HydrophobicContact CD1-CD2 3.8Å; Y174-L749 HydrophobicContact CE1-CD2 3.56Å; Y174-L753 HydrophobicContact CE2-CD2 4.14Å; Y174-L812 HydrophobicContact CE1-CD1 3.98Å; Y174-L812 WeakPolarHBondContact OH-CD1 3.17Å |
| 175 | T | 67.9 | Low | 71.8 | Confident | 44 Ų | 44 | 47.5 Ų | 47.5 | 27% | 0.27 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -76.1 | -15.7 | -169.2 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | T171 E172 R178 K179 | T171-T175 PolarHBondContact O-N 2.98Å; T171-T175 VanDerWaalsContact O-N 3.16Å; T171-T175 PolarHBondContact O-OG1 3.48Å; E172-T175 PolarHBondContact O-N 3.4Å; T175-R178 PolarHBondContact O-N 2.79Å; T175-K179 WeakPolarHBondContact O-CB 3.44Å; T175-K179 PolarHBondContact O-N 3.39Å |
| 176 | W | 74.6 | Confident | 69.9 | Low | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -40.6 | -169.6 | 78.7 | -94.2 | 0 | 0 | 0 | 116.7 | L92 V95 A96 L99 E172 A173 Y174 R178 K179 L180 I182 Y747 | L92-W176 HydrophobicContact CB-CH2 4.06Å; L92-W176 HydrophobicContact CD2-CH2 3.66Å; L92-W176 HydrophobicContact CD2-CZ3 4.06Å; L92-W176 HydrophobicContact CG-CH2 4.45Å; L92-W176 WeakPolarHBondContact O-CH2 3.27Å; V95-W176 HydrophobicContact CB-CH2 3.74Å; V95-W176 HydrophobicContact CB-CZ3 3.67Å; V95-W176 HydrophobicContact CG1-CE3 3.86Å; V95-W176 HydrophobicContact CG1-CH2 3.87Å; V95-W176 HydrophobicContact CG1-CZ3 3.28Å; V95-W176 HydrophobicContact CG2-CZ3 4.45Å; A96-W176 HydrophobicContact CB-CZ2 3.84Å; L99-W176 HydrophobicContact CD2-CB 3.41Å; L99-W176 VanDerWaalsContact CD2-CB 3.41Å; L99-W176 HydrophobicContact CD2-CD2 3.84Å; L99-W176 HydrophobicContact CD2-CE3 4.48Å; L99-W176 HydrophobicContact CD2-CG 3.33Å; E172-W176 WeakPolarHBondContact O-CB 3.41Å; E172-W176 PolarHBondContact O-N 3.06Å; A173-W176 PolarHBondContact O-NE1 3.3Å; Y174-W176 VanDerWaalsContact C-N 3.31Å; Y174-W176 PolarHBondContact O-N 3.05Å; W176-R178 VanDerWaalsContact C-N 3.29Å; W176-R178 PolarHBondContact O-N 3.38Å; W176-K179 PolarHBondContact O-N 2.87Å; W176-L180 HydrophobicContact CE3-CD1 3.91Å; W176-L180 HydrophobicContact CZ3-CD1 4.46Å; W176-L180 PolarHBondContact O-N 2.6Å; W176-I182 HydrophobicContact CE3-CD1 4.11Å; W176-I182 HydrophobicContact CZ3-CD1 3.5Å; W176-I182 VanDerWaalsContact CZ3-CD1 3.5Å; W176-Y747 AromaticContact CE2-CE1 4Å; W176-Y747 AromaticContact CE2-CZ 3.9Å; W176-Y747 HydrophobicContact CZ2-CD1 4.12Å; W176-Y747 AromaticContact CZ2-CD2 3.93Å; W176-Y747 HydrophobicContact CZ2-CD2 3.93Å; W176-Y747 AromaticContact CZ2-CE1 3.99Å; W176-Y747 HydrophobicContact CZ2-CE1 3.99Å; W176-Y747 AromaticContact CZ2-CE2 3.86Å; W176-Y747 HydrophobicContact CZ2-CE2 3.86Å; W176-Y747 HydrophobicContact CZ2-CG 4.09Å; W176-Y747 AromaticContact CZ2-CZ 3.85Å; W176-Y747 AromaticContact NE1-CE1 3.45Å; W176-Y747 AromaticContact NE1-CZ 3.32Å; W176-Y747 VanDerWaalsContact NE1-CZ 3.32Å; W176-Y747 PolarHBondContact NE1-OH 3.06Å; W176-Y747 VanDerWaalsContact NE1-OH 3.13Å |
| 177 | P | 66.3 | Low | 68 | Low | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.039 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | -175.9 | -19.7 | 32.7 | 0 | 0 | 0 | 111.3 | Y174 I246 Y747 | Y174-P177 WeakPolarHBondContact O-CD 3.39Å; P177-I246 HydrophobicContact CB-CD1 3.94Å; P177-Y747 HydrophobicContact CG-CD1 4.48Å |
| 178 | R | 65.2 | Low | 65.9 | Low | 153 Ų | 153 | 53.1 Ų | 53.1 | 58% | 0.577 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -72 | -45.6 | 175.8 | -167.7 | 177 | -171.6 | 172.9 | 7.5 | 111.6 | T175 W176 L180 R181 D240 | T175-R178 PolarHBondContact O-N 2.79Å; W176-R178 VanDerWaalsContact C-N 3.29Å; W176-R178 PolarHBondContact O-N 3.38Å; R178-L180 VanDerWaalsContact C-N 3.26Å; R178-L180 PolarHBondContact O-N 2.96Å; R178-R181 PolarHBondContact O-N 3.48Å; R178-D240 IonicContact NH2-OD1 3.8Å; R178-D240 IonicContact NH2-OD2 2.69Å; R178-D240 PolarHBondContact NH2-OD2 2.93Å |
| 179 | K | 68.2 | Low | 63.5 | Low | 132 Ų | 132 | 54.1 Ų | 54.1 | 57% | 0.574 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.5 | -36 | -178.5 | -174.3 | 175.6 | 177.2 | 179.5 | 0 | 112.7 | E172 T175 W176 R181 | E172-K179 IonicContact OE1-NZ 3.62Å; E172-K179 PolarHBondContact OE1-NZ 3.41Å; E172-K179 IonicContact OE2-NZ 3.52Å; E172-K179 PolarHBondContact OE2-NZ 3.34Å; T175-K179 WeakPolarHBondContact O-CB 3.44Å; T175-K179 PolarHBondContact O-N 3.39Å; W176-K179 PolarHBondContact O-N 2.87Å; K179-R181 VanDerWaalsContact C-N 3.29Å; K179-R181 PolarHBondContact O-N 3.19Å |
| 180 | L | 68.9 | Low | 60.9 | Low | 64 Ų | 64 | 59 Ų | 59 | 34% | 0.335 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 0.7 | 179 | -69.9 | 178.4 | 0 | 0 | 0 | 114.1 | V95 W176 R178 I182 | V95-L180 HydrophobicContact CG1-CD1 4.15Å; W176-L180 HydrophobicContact CE3-CD1 3.91Å; W176-L180 HydrophobicContact CZ3-CD1 4.46Å; W176-L180 PolarHBondContact O-N 2.6Å; R178-L180 VanDerWaalsContact C-N 3.26Å; R178-L180 PolarHBondContact O-N 2.96Å; L180-I182 HydrophobicContact CB-CD1 3.75Å; L180-I182 HydrophobicContact CB-CG1 3.71Å; L180-I182 HydrophobicContact CD1-CD1 4.01Å; L180-I182 PolarHBondContact O-N 3.43Å |
| 181 | R | 63.3 | Low | 58.7 | Low | 171 Ų | 171 | 65.2 Ų | 65.2 | 65% | 0.645 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.7 | 36 | -177.2 | -61 | -174.4 | -175.6 | 174.5 | -1.7 | 112.9 | R178 K179 C183 N184 | R178-R181 PolarHBondContact O-N 3.48Å; K179-R181 VanDerWaalsContact C-N 3.29Å; K179-R181 PolarHBondContact O-N 3.19Å; R181-C183 PolarHBondContact O-N 2.83Å; R181-N184 PolarHBondContact O-N 3.41Å |
| 182 | I | 61.3 | Low | 56.4 | Low | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -35.5 | -173.9 | -72.1 | 163.7 | 0 | 0 | 0 | 110.2 | A87 L92 V95 W176 L180 S185 W186 | A87-I182 HydrophobicContact CB-CB 4.42Å; A87-I182 HydrophobicContact CB-CD1 4.06Å; A87-I182 HydrophobicContact CB-CG1 4.16Å; A87-I182 HydrophobicContact CB-CG2 3.38Å; L92-I182 HydrophobicContact CD2-CD1 4.27Å; L92-I182 HydrophobicContact CD2-CG2 4.19Å; V95-I182 HydrophobicContact CG1-CD1 4.29Å; V95-I182 HydrophobicContact CG2-CD1 4.5Å; W176-I182 HydrophobicContact CE3-CD1 4.11Å; W176-I182 HydrophobicContact CZ3-CD1 3.5Å; W176-I182 VanDerWaalsContact CZ3-CD1 3.5Å; L180-I182 HydrophobicContact CB-CD1 3.75Å; L180-I182 HydrophobicContact CB-CG1 3.71Å; L180-I182 HydrophobicContact CD1-CD1 4.01Å; L180-I182 PolarHBondContact O-N 3.43Å; I182-S185 WeakPolarHBondContact O-CB 3.41Å; I182-S185 PolarHBondContact O-N 3.02Å; I182-W186 HydrophobicContact CG2-CD2 4.37Å; I182-W186 HydrophobicContact CG2-CH2 4.21Å; I182-W186 HydrophobicContact CG2-CZ2 3.72Å |
| 183 | C | 55.9 | Low | 53.9 | Low | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -64.8 | -44.3 | -178.9 | -20.6 | 0 | 0 | 0 | 0 | 111.6 | R181 S185 W186 E242 C243 | R181-C183 PolarHBondContact O-N 2.83Å; C183-S185 PolarHBondContact O-N 3.5Å; C183-W186 PolarHBondContact O-N 3.38Å; C183-E242 VanDerWaalsContact CB-C 3.5Å; C183-E242 HydrophobicContact CB-CB 3.75Å; C183-C243 HydrophobicContact CB-CB 3.82Å; C183-C243 VanDerWaalsContact CB-N 3.26Å; C183-C243 WeakPolarHBondContact CB-SG 3.4Å; C183-C243 WeakPolarHBondContact SG-CA 3.2Å; C183-C243 WeakPolarHBondContact SG-CB 3.48Å; C183-C243 CovalentContact SG-SG 2.05Å; C183-C243 PolarHBondContact SG-SG 3.1Å |
| 184 | N | 52.7 | Low | 51.6 | Low | 47 Ų | 47 | 76.8 Ų | 76.8 | 25% | 0.251 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -56.9 | -29 | 179.7 | -61.3 | 27.8 | 0 | 0 | 0 | 112.2 | R181 W186 D239 | R181-N184 PolarHBondContact O-N 3.41Å; N184-W186 VanDerWaalsContact C-N 3.34Å; N184-W186 PolarHBondContact O-N 2.97Å; N184-D239 PolarHBondContact ND2-OD2 3.41Å |
| 185 | S | 49.1 | Very low | 49.5 | Very low | 30 Ų | 30 | 85.9 Ų | 85.9 | 21% | 0.21 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -74.1 | -20.8 | 177.8 | -172.4 | 0 | 0 | 0 | 0 | 114.3 | S84 K88 I182 C183 T188 | S84-S185 WeakPolarHBondContact CB-OG 3.21Å; S84-S185 WeakPolarHBondContact OG-CB 3.47Å; S84-S185 PolarHBondContact OG-OG 3.44Å; S84-S185 VanDerWaalsContact OG-OG 3.1Å; K88-S185 WeakPolarHBondContact CE-O 3.12Å; K88-S185 PolarHBondContact NZ-O 3.24Å; I182-S185 WeakPolarHBondContact O-CB 3.41Å; I182-S185 PolarHBondContact O-N 3.02Å; C183-S185 PolarHBondContact O-N 3.5Å; S185-T188 PolarHBondContact O-OG1 3.21Å |
| 186 | W | 52.4 | Low | 47.4 | Very low | 9 Ų | 9 | 90.3 Ų | 90.3 | 3% | 0.034 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -84 | -12.6 | -175.9 | -68.8 | -0.2 | 0 | 0 | 0 | 113.1 | A87 K88 L92 I182 C183 N184 T188 E242 Q744 Y745 | A87-W186 HydrophobicContact CB-CZ2 4.07Å; K88-W186 VanDerWaalsContact CG-CD1 3.42Å; L92-W186 HydrophobicContact CD1-CH2 4.16Å; L92-W186 HydrophobicContact CD1-CZ3 4.5Å; L92-W186 HydrophobicContact CD2-CH2 4.11Å; L92-W186 HydrophobicContact CG-CH2 3.88Å; I182-W186 HydrophobicContact CG2-CD2 4.37Å; I182-W186 HydrophobicContact CG2-CH2 4.21Å; I182-W186 HydrophobicContact CG2-CZ2 3.72Å; C183-W186 PolarHBondContact O-N 3.38Å; N184-W186 VanDerWaalsContact C-N 3.34Å; N184-W186 PolarHBondContact O-N 2.97Å; W186-T188 PolarHBondContact O-N 2.8Å; W186-E242 WeakPolarHBondContact CA-OE2 2.91Å; W186-E242 WeakPolarHBondContact CB-OE2 3.4Å; W186-Q744 HydrophobicContact CH2-CB 3.99Å; W186-Q744 VanDerWaalsContact CH2-O 3.25Å; W186-Q744 WeakPolarHBondContact CH2-O 3.44Å; W186-Q744 HydrophobicContact CZ2-CB 4.23Å; W186-Y745 HydrophobicContact CD2-CE1 4.32Å; W186-Y745 AromaticContact CE3-CD1 3.62Å; W186-Y745 HydrophobicContact CE3-CD1 3.62Å; W186-Y745 HydrophobicContact CE3-CD2 4.46Å; W186-Y745 AromaticContact CE3-CE1 3.11Å; W186-Y745 HydrophobicContact CE3-CE1 3.11Å; W186-Y745 HydrophobicContact CE3-CE2 4.01Å; W186-Y745 HydrophobicContact CE3-CG 4.25Å; W186-Y745 AromaticContact CE3-CZ 3.3Å; W186-Y745 AromaticContact CZ3-CD1 3.31Å; W186-Y745 HydrophobicContact CZ3-CD1 3.31Å; W186-Y745 HydrophobicContact CZ3-CD2 4.09Å; W186-Y745 AromaticContact CZ3-CE1 3.38Å; W186-Y745 HydrophobicContact CZ3-CE1 3.38Å; W186-Y745 HydrophobicContact CZ3-CE2 4.09Å; W186-Y745 AromaticContact CZ3-CG 3.67Å; W186-Y745 HydrophobicContact CZ3-CG 3.67Å; W186-Y745 AromaticContact CZ3-CZ 3.75Å |
| 187 | K | 50.5 | Low | 45 | Very low | 89 Ų | 89 | 97.3 Ų | 97.3 | 39% | 0.387 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -59.1 | -30 | 174.4 | -72.1 | -173 | 177.6 | -174 | 0 | 113 | L189 D239 E242 | K187-L189 VanDerWaalsContact C-N 3.29Å; K187-L189 PolarHBondContact O-N 3.4Å; K187-L189 VanDerWaalsContact O-N 3.14Å; K187-D239 IonicContact NZ-OD1 2.61Å; K187-D239 PolarHBondContact NZ-OD1 3.41Å; K187-E242 WeakPolarHBondContact CA-OE2 3.33Å; K187-E242 HydrophobicContact CG-CG 4.37Å; K187-E242 WeakPolarHBondContact CG-OE2 3.46Å; K187-E242 PolarHBondContact N-OE2 3.43Å |
| 188 | T | 41.6 | Very low | 42.9 | Very low | 97 Ų | 97 | 105 Ų | 105 | 60% | 0.595 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -77.3 | 6.3 | -163.6 | 48.9 | 0 | 0 | 0 | 0 | 116.7 | K88 S185 W186 P190 | K88-T188 PolarHBondContact NZ-OG1 3.48Å; S185-T188 PolarHBondContact O-OG1 3.21Å; W186-T188 PolarHBondContact O-N 2.8Å; T188-P190 WeakPolarHBondContact O-CD 3.49Å |
| 189 | L | 37.1 | Very low | 40.9 | Very low | 122 Ų | 122 | 103.8 Ų | 103.8 | 64% | 0.639 | 54% | 0.536 | S | S | * | . | trans | -99.4 | 100.4 | 168.1 | -111.2 | 98.5 | 0 | 0 | 0 | 109.6 | K187 L191 | K187-L189 VanDerWaalsContact C-N 3.29Å; K187-L189 PolarHBondContact O-N 3.4Å; K187-L189 VanDerWaalsContact O-N 3.14Å; L189-L191 PolarHBondContact O-N 3.08Å | ||
| 190 | P | 31 | Very low | 38.7 | Very low | 102 Ų | 102 | 100.4 Ų | 100.4 | 66% | 0.662 | 54% | 0.539 | S | S | * | . | trans | -58.5 | 130.4 | 164.7 | 23.8 | -29.4 | 0 | 0 | 0 | 108.3 | T188 N192 | T188-P190 WeakPolarHBondContact O-CD 3.49Å; P190-N192 PolarHBondContact O-N 3.25Å | ||
| 191 | L | 31.5 | Very low | 36.4 | Very low | 145 Ų | 145 | 103 Ų | 103 | 76% | 0.759 | 56% | 0.563 | S | S | * | * | trans | -55.3 | 100.3 | 156.3 | -95.5 | 142.5 | 0 | 0 | 0 | 105.3 | L189 N193 | L189-L191 PolarHBondContact O-N 3.08Å; L191-N193 PolarHBondContact O-N 3.32Å | ||
| 192 | N | 27.1 | Very low | 34.5 | Very low | 113 Ų | 113 | 100.2 Ų | 100.2 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | trans | -69.4 | 87 | 174.2 | -146.2 | 23.5 | 0 | 0 | 0 | 106.5 | P190 D194 | P190-N192 PolarHBondContact O-N 3.25Å; N192-D194 PolarHBondContact O-N 2.88Å; N192-D194 PolarHBondContact OD1-OD2 2.9Å | ||
| 193 | N | 24.5 | Very low | 32.5 | Very low | 128 Ų | 128 | 107.8 Ų | 107.8 | 68% | 0.684 | 61% | 0.609 | S | S | * | * | trans | -73.4 | 8.6 | 171.7 | -85.8 | -17.6 | 0 | 0 | 0 | 111.6 | L191 Y195 N196 | L191-N193 PolarHBondContact O-N 3.32Å; N193-Y195 PolarHBondContact O-N 3.32Å; N193-N196 PolarHBondContact O-N 3.5Å | ||
| 194 | D | 25.9 | Very low | 31 | Very low | 132 Ų | 132 | 116.1 Ų | 116.1 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 7.9 | -178 | -76.9 | 0.4 | 0 | 0 | 0 | 114.8 | N192 | N192-D194 PolarHBondContact O-N 2.88Å; N192-D194 PolarHBondContact OD1-OD2 2.9Å |
| 195 | Y | 24.8 | Very low | 29.4 | Very low | 217 Ų | 217 | 125.3 Ų | 125.3 | 85% | 0.851 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -7.9 | 172.5 | -92.5 | -74.3 | 0 | 0 | 0 | 115.4 | N193 | N193-Y195 PolarHBondContact O-N 3.32Š|
| 196 | N | 23.4 | Very low | 28.3 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -128.4 | 92.3 | 176.3 | -74.9 | -20.8 | 0 | 0 | 0 | 109.8 | N193 | N193-N196 PolarHBondContact O-N 3.5Š|
| 197 | N | 23.8 | Very low | 26.8 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -178.8 | 4.8 | 142.2 | -89.6 | -10.8 | 0 | 0 | 0 | 115.9 | ||
| 198 | N | 22.9 | Very low | 25.6 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | -114.3 | 45.9 | 172.5 | -71.5 | -9 | 0 | 0 | 0 | 112.8 | G200 | N198-G200 PolarHBondContact O-N 3.24Š| ||
| 199 | S | 22.4 | Very low | 24.8 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | -87.8 | 53.7 | 156.7 | 53.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 200 | G | 22 | Very low | 24 | Very low | 62 Ų | 62 | 143.8 Ų | 143.8 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | trans | -118.3 | 90.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | N198 | N198-G200 PolarHBondContact O-N 3.24Š| ||
| 201 | S | 21 | Very low | 23.8 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 48.5 | 101.7 | 151.9 | 172.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 202 | S | 23.1 | Very low | 23.3 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | -162.4 | 108.6 | 119.8 | 56.4 | 0 | 0 | 0 | 0 | 111.5 | K204 | S202-K204 PolarHBondContact O-N 2.6Š| |||
| 203 | N | 20.6 | Very low | 23.3 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -63.2 | 119.6 | 151.1 | -84.5 | -23.4 | 0 | 0 | 0 | 107.8 | ||||
| 204 | K | 23.2 | Very low | 23.1 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | -174.8 | 82 | 147.3 | -103.8 | 167.3 | -173.2 | -176.8 | 0 | 109.4 | S202 Q206 | S202-K204 PolarHBondContact O-N 2.6Å; K204-Q206 VanDerWaalsContact C-N 3.31Å; K204-Q206 PolarHBondContact O-N 2.84Å; K204-Q206 VanDerWaalsContact O-N 3.11Å | ||
| 205 | Y | 20.6 | Very low | 23 | Very low | 239 Ų | 239 | 143.1 Ų | 143.1 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | trans | -69.2 | 94.7 | 154.4 | -79.4 | -90.1 | 0 | 0 | 0 | 107.3 | ||||
| 206 | Q | 24 | Very low | 23.1 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -111.4 | 116.3 | 166.3 | -116.9 | 160.9 | -34.1 | 0 | 0 | 107.7 | K204 | K204-Q206 VanDerWaalsContact C-N 3.31Å; K204-Q206 PolarHBondContact O-N 2.84Å; K204-Q206 VanDerWaalsContact O-N 3.11Å | ||
| 207 | K | 22.1 | Very low | 23 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | -51.3 | 137.7 | 176.9 | -88.4 | 172.1 | 169 | 175.5 | 0 | 110.4 | D209 | K207-D209 PolarHBondContact O-N 3.39Š| ||
| 208 | P | 25.7 | Very low | 23 | Very low | 130 Ų | 130 | 147 Ų | 147 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | trans | -76 | 106.2 | 170.5 | 28.9 | -28.3 | 0 | 0 | 0 | 108.9 | ||||
| 209 | D | 23.3 | Very low | 23.1 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -70.9 | 142.6 | 163.9 | -77 | -32.6 | 0 | 0 | 0 | 110.1 | K207 | K207-D209 PolarHBondContact O-N 3.39Š| ||
| 210 | S | 21.4 | Very low | 23.2 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -41.5 | 135.2 | 170.4 | 51.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 211 | S | 26 | Very low | 23.3 | Very low | 101 Ų | 101 | 151.9 Ų | 151.9 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -170.4 | 112.1 | 130.3 | 54.9 | 0 | 0 | 0 | 0 | 110.5 | T213 | S211-T213 PolarHBondContact O-N 3Š| ||
| 212 | L | 21.7 | Very low | 23.5 | Very low | 167 Ų | 167 | 155 Ų | 155 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -59.9 | 117.2 | 158.9 | -130.7 | 82.3 | 0 | 0 | 0 | 108 | ||||
| 213 | T | 26.6 | Very low | 23.5 | Very low | 124 Ų | 124 | 153 Ų | 153 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | trans | -131.7 | 111.9 | 159.5 | 42 | 0 | 0 | 0 | 0 | 108.8 | S211 | S211-T213 PolarHBondContact O-N 3Š| ||
| 214 | N | 21.2 | Very low | 23.7 | Very low | 158 Ų | 158 | 154.1 Ų | 154.1 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -70 | 146.1 | 167.6 | -74.8 | -33.5 | 0 | 0 | 0 | 109.8 | ||||
| 215 | G | 23.7 | Very low | 23.7 | Very low | 57 Ų | 57 | 154.1 Ų | 154.1 | 59% | 0.588 | 80% | 0.804 | S | S | * | * | trans | 119.7 | 124.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 216 | D | 26.2 | Very low | 23.8 | Very low | 166 Ų | 166 | 152 Ų | 152 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | cis | -150.5 | 154.1 | 14.2 | -76.7 | -52.3 | 0 | 0 | 0 | 109.1 | E218 | D216-E218 PolarHBondContact O-N 3.42Š| ||
| 217 | R | 20.9 | Very low | 23.6 | Very low | 241 Ų | 241 | 149.6 Ų | 149.6 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -63.3 | 121.5 | 161.8 | -78.3 | 169.7 | 167.4 | 172.3 | -3.9 | 107.2 | ||||
| 218 | E | 23.8 | Very low | 23.7 | Very low | 177 Ų | 177 | 147.4 Ų | 147.4 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -174.7 | 145.9 | 138.3 | -106.6 | 166.6 | -155.4 | 0 | 0 | 113.6 | D216 | D216-E218 PolarHBondContact O-N 3.42Š| ||
| 219 | Q | 25.5 | Very low | 23.5 | Very low | 153 Ų | 153 | 150 Ų | 150 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | 76.9 | 86.8 | 162.1 | -63.4 | -179.3 | 10.2 | 0 | 0 | 118.3 | N221 | Q219-N221 VanDerWaalsContact C-N 3.28Å; Q219-N221 PolarHBondContact O-N 3.05Å | ||
| 220 | I | 23.9 | Very low | 23.7 | Very low | 166 Ų | 166 | 151.9 Ų | 151.9 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -59.3 | 88.9 | 153.1 | -60.2 | 163.8 | 0 | 0 | 0 | 107.7 | Q222 | I220-Q222 PolarHBondContact O-N 3.48Š| ||
| 221 | N | 25.3 | Very low | 23.8 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -76.8 | 116.4 | 163.4 | -89.6 | -21.8 | 0 | 0 | 0 | 108.1 | Q219 G223 | Q219-N221 VanDerWaalsContact C-N 3.28Å; Q219-N221 PolarHBondContact O-N 3.05Å; N221-G223 VanDerWaalsContact C-N 3.29Å; N221-G223 PolarHBondContact O-N 2.97Å | ||
| 222 | Q | 24.6 | Very low | 23.8 | Very low | 184 Ų | 184 | 153.4 Ų | 153.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -56.7 | 91.6 | 171.7 | -67.8 | 171 | -10 | 0 | 0 | 108.6 | I220 E224 | I220-Q222 PolarHBondContact O-N 3.48Å; Q222-E224 PolarHBondContact O-N 3.28Å | ||
| 223 | G | 23.9 | Very low | 24.1 | Very low | 70 Ų | 70 | 149.4 Ų | 149.4 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -64.3 | 104.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108 | N221 Q225 | N221-G223 VanDerWaalsContact C-N 3.29Å; N221-G223 PolarHBondContact O-N 2.97Å; G223-Q225 PolarHBondContact O-N 2.83Å | ||
| 224 | E | 23.2 | Very low | 24.3 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -40.4 | 115.3 | 169.2 | -76.5 | 177.2 | 133.9 | 0 | 0 | 109.5 | Q222 K226 | Q222-E224 PolarHBondContact O-N 3.28Å; E224-K226 VanDerWaalsContact C-N 3.28Å; E224-K226 PolarHBondContact O-N 3.2Å | ||
| 225 | Q | 23.3 | Very low | 24.7 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -58.1 | 99.5 | 162.6 | -82.8 | 173.2 | -39.7 | 0 | 0 | 106.7 | G223 T227 | G223-Q225 PolarHBondContact O-N 2.83Å; Q225-T227 PolarHBondContact O-N 3.44Å | ||
| 226 | K | 22.7 | Very low | 25.2 | Very low | 195 Ų | 195 | 152.1 Ų | 152.1 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -61.8 | 79.5 | 156.8 | -83.2 | -178.2 | 176.2 | 176 | 0 | 107.4 | E224 I228 | E224-K226 VanDerWaalsContact C-N 3.28Å; E224-K226 PolarHBondContact O-N 3.2Å; K226-I228 VanDerWaalsContact C-N 3.3Å; K226-I228 PolarHBondContact O-N 3.36Å | ||
| 227 | T | 21.6 | Very low | 25.6 | Very low | 106 Ų | 106 | 151.5 Ų | 151.5 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | -60.8 | 100.5 | 157.2 | 39.2 | 0 | 0 | 0 | 0 | 105.8 | Q225 K229 | Q225-T227 PolarHBondContact O-N 3.44Å; T227-K229 PolarHBondContact O-N 2.82Å | ||
| 228 | I | 23.5 | Very low | 26.5 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | trans | -60.4 | 95.9 | 166.2 | -62.3 | 168.6 | 0 | 0 | 0 | 105.2 | K226 F230 | K226-I228 VanDerWaalsContact C-N 3.3Å; K226-I228 PolarHBondContact O-N 3.36Å; I228-F230 PolarHBondContact O-N 3.49Å; I228-F230 VanDerWaalsContact O-N 3.16Å | ||
| 229 | K | 21.4 | Very low | 27.3 | Very low | 185 Ų | 185 | 140.4 Ų | 140.4 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -64.7 | 111.4 | 168.4 | -78.2 | -177.3 | 176.6 | 178.8 | 0 | 105.8 | T227 S231 | T227-K229 PolarHBondContact O-N 2.82Å; K229-S231 PolarHBondContact O-N 3Å | ||
| 230 | F | 26.5 | Very low | 28 | Very low | 186 Ų | 186 | 137 Ų | 137 | 82% | 0.816 | 72% | 0.724 | S | S | * | * | trans | -62 | 107.3 | 163.3 | -79.8 | -92.4 | 0 | 0 | 0 | 106.6 | I228 D232 | I228-F230 PolarHBondContact O-N 3.49Å; I228-F230 VanDerWaalsContact O-N 3.16Å; F230-D232 PolarHBondContact O-N 2.73Å | ||
| 231 | S | 24.3 | Very low | 29 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | trans | -71.9 | 102.8 | 165.3 | 49.4 | 0 | 0 | 0 | 0 | 107.1 | K229 S233 | K229-S231 PolarHBondContact O-N 3Å; S231-S233 PolarHBondContact O-N 2.96Å | ||
| 232 | D | 26.3 | Very low | 30.1 | Very low | 146 Ų | 146 | 126.2 Ų | 126.2 | 78% | 0.781 | 67% | 0.672 | S | S | * | * | trans | -65.8 | 82.3 | 157 | -73.9 | -36.7 | 0 | 0 | 0 | 106.6 | F230 D234 | F230-D232 PolarHBondContact O-N 2.73Å; D232-D234 PolarHBondContact O-N 2.63Å | ||
| 233 | S | 28.1 | Very low | 31.2 | Very low | 83 Ų | 83 | 118.6 Ų | 118.6 | 58% | 0.58 | 64% | 0.64 | S | S | * | * | trans | -86.4 | 99.8 | 167 | 53.9 | 0 | 0 | 0 | 0 | 107.3 | S231 D235 | S231-S233 PolarHBondContact O-N 2.96Å; S233-D235 PolarHBondContact O-N 3.07Å | ||
| 234 | D | 30 | Very low | 32.4 | Very low | 133 Ų | 133 | 119.2 Ų | 119.2 | 71% | 0.711 | 63% | 0.626 | S | S | * | * | trans | -69.3 | 54.6 | 172.6 | -67.6 | -40.7 | 0 | 0 | 0 | 111.6 | D232 D236 | D232-D234 PolarHBondContact O-N 2.63Å; D234-D236 PolarHBondContact O-N 3.27Å; D234-D236 VanDerWaalsContact O-N 3.07Å | ||
| 235 | D | 30.6 | Very low | 33.8 | Very low | 136 Ų | 136 | 115.9 Ų | 115.9 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | trans | -76.8 | 92.3 | 169.5 | -79.3 | -31.9 | 0 | 0 | 0 | 108.8 | S233 D237 | S233-D235 PolarHBondContact O-N 3.07Å; D235-D237 PolarHBondContact O-N 2.69Å | ||
| 236 | D | 33.9 | Very low | 35.4 | Very low | 128 Ų | 128 | 108.2 Ų | 108.2 | 68% | 0.684 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 5.2 | -159.4 | -100.3 | -31.5 | 0 | 0 | 0 | 118 | D234 | D234-D236 PolarHBondContact O-N 3.27Å; D234-D236 VanDerWaalsContact O-N 3.07Å |
| 237 | D | 35.3 | Very low | 37 | Very low | 153 Ų | 153 | 99.6 Ų | 99.6 | 82% | 0.818 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.2 | 8.4 | -164.2 | -86.3 | -38.3 | 0 | 0 | 0 | 119.6 | D235 | D235-D237 PolarHBondContact O-N 2.69Š|
| 238 | V | 38.5 | Very low | 38.8 | Very low | 114 Ų | 114 | 101 Ų | 101 | 69% | 0.691 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -122.1 | 16 | -179.8 | -163 | 0 | 0 | 0 | 0 | 113.9 | ||
| 239 | D | 42.1 | Very low | 40.5 | Very low | 71 Ų | 71 | 95.7 Ų | 95.7 | 38% | 0.38 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -97.7 | -3.6 | -151.6 | -108.8 | 9.6 | 0 | 0 | 0 | 118.5 | N184 K187 C241 | N184-D239 PolarHBondContact ND2-OD2 3.41Å; K187-D239 IonicContact NZ-OD1 2.61Å; K187-D239 PolarHBondContact NZ-OD1 3.41Å; D239-C241 VanDerWaalsContact C-N 3.33Å; D239-C241 PolarHBondContact O-N 3.14Å |
| 240 | D | 40 | Very low | 42.7 | Very low | 82 Ų | 82 | 88.5 Ų | 88.5 | 44% | 0.439 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -74.4 | -9.6 | -170.9 | -92.1 | -19.2 | 0 | 0 | 0 | 115.6 | R178 E242 C243 D244 | R178-D240 IonicContact NH2-OD1 3.8Å; R178-D240 IonicContact NH2-OD2 2.69Å; R178-D240 PolarHBondContact NH2-OD2 2.93Å; D240-E242 VanDerWaalsContact C-N 3.33Å; D240-E242 PolarHBondContact O-N 2.88Å; D240-C243 PolarHBondContact O-N 3.5Å; D240-D244 PolarHBondContact O-N 2.83Å |
| 241 | C | 44.5 | Very low | 45 | Very low | 71 Ų | 71 | 82.2 Ų | 82.2 | 48% | 0.48 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -61.2 | -27 | -162.1 | -141 | 0 | 0 | 0 | 0 | 116.3 | D239 | D239-C241 VanDerWaalsContact C-N 3.33Å; D239-C241 PolarHBondContact O-N 3.14Å |
| 242 | E | 48.4 | Very low | 47.6 | Very low | 7 Ų | 7 | 78.5 Ų | 78.5 | 3% | 0.033 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -90.1 | -25.3 | 176.3 | -89.5 | -160.3 | 130.4 | 0 | 0 | 114.5 | C183 W186 K187 D240 D244 R245 Y745 | C183-E242 VanDerWaalsContact CB-C 3.5Å; C183-E242 HydrophobicContact CB-CB 3.75Å; W186-E242 WeakPolarHBondContact CA-OE2 2.91Å; W186-E242 WeakPolarHBondContact CB-OE2 3.4Å; K187-E242 WeakPolarHBondContact CA-OE2 3.33Å; K187-E242 HydrophobicContact CG-CG 4.37Å; K187-E242 WeakPolarHBondContact CG-OE2 3.46Å; K187-E242 PolarHBondContact N-OE2 3.43Å; D240-E242 VanDerWaalsContact C-N 3.33Å; D240-E242 PolarHBondContact O-N 2.88Å; E242-D244 PolarHBondContact O-N 2.83Å; E242-R245 WeakPolarHBondContact O-CB 3.24Å; E242-R245 PolarHBondContact O-N 3.49Å; E242-R245 VanDerWaalsContact O-N 3.11Å; E242-R245 IonicContact OE1-CZ 3.66Å; E242-R245 IonicContact OE1-NE 3.87Å; E242-R245 IonicContact OE1-NH2 2.7Å; E242-R245 PolarHBondContact OE1-NH2 3.2Å; E242-Y745 PolarHBondContact OE1-OH 3.43Å |
| 243 | C | 48.4 | Very low | 50 | Low | 25 Ų | 25 | 71.6 Ų | 71.6 | 17% | 0.169 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -67.9 | -25.4 | 172.7 | -75.9 | 0 | 0 | 0 | 0 | 111.2 | C183 D240 R245 I246 | C183-C243 HydrophobicContact CB-CB 3.82Å; C183-C243 VanDerWaalsContact CB-N 3.26Å; C183-C243 WeakPolarHBondContact CB-SG 3.4Å; C183-C243 WeakPolarHBondContact SG-CA 3.2Å; C183-C243 WeakPolarHBondContact SG-CB 3.48Å; C183-C243 CovalentContact SG-SG 2.05Å; C183-C243 PolarHBondContact SG-SG 3.1Å; D240-C243 PolarHBondContact O-N 3.5Å; C243-R245 PolarHBondContact O-N 3.17Å; C243-I246 PolarHBondContact O-N 3.24Å |
| 244 | D | 48.8 | Very low | 52.3 | Low | 83 Ų | 83 | 68 Ų | 68 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -64.4 | -19.9 | 171.9 | -64.3 | -27.2 | 0 | 0 | 0 | 113.4 | D240 E242 | D240-D244 PolarHBondContact O-N 2.83Å; E242-D244 PolarHBondContact O-N 2.83Å |
| 245 | R | 52.8 | Low | 54.5 | Low | 111 Ų | 111 | 61.7 Ų | 61.7 | 42% | 0.419 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -80.1 | -18.5 | 176 | -69.9 | -157.8 | -87.2 | -144.1 | -2.7 | 114.2 | E242 C243 N247 E248 Y745 | E242-R245 WeakPolarHBondContact O-CB 3.24Å; E242-R245 PolarHBondContact O-N 3.49Å; E242-R245 VanDerWaalsContact O-N 3.11Å; E242-R245 IonicContact OE1-CZ 3.66Å; E242-R245 IonicContact OE1-NE 3.87Å; E242-R245 IonicContact OE1-NH2 2.7Å; E242-R245 PolarHBondContact OE1-NH2 3.2Å; C243-R245 PolarHBondContact O-N 3.17Å; R245-N247 PolarHBondContact O-N 3.44Å; R245-N247 VanDerWaalsContact O-N 3.14Å; R245-E248 PolarHBondContact O-N 3.27Å; R245-Y745 HydrophobicContact CB-CD1 3.68Å; R245-Y745 HydrophobicContact CB-CE1 3.89Å; R245-Y745 HydrophobicContact CB-CG 4.41Å |
| 246 | I | 56.2 | Low | 56.7 | Low | 17 Ų | 17 | 55.4 Ų | 55.4 | 9% | 0.087 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 118.5 | -179.9 | -62.8 | 179.9 | 0 | 0 | 0 | 108.4 | L92 P177 C243 E248 Y745 | L92-I246 HydrophobicContact CD1-CD1 4Å; L92-I246 HydrophobicContact CD1-CG1 4Å; L92-I246 HydrophobicContact CD1-CG2 3.94Å; L92-I246 HydrophobicContact CD2-CD1 4.47Å; P177-I246 HydrophobicContact CB-CD1 3.94Å; C243-I246 PolarHBondContact O-N 3.24Å; I246-E248 PolarHBondContact O-N 2.95Å; I246-Y745 HydrophobicContact CG1-CD1 4.35Å |
| 247 | N | 55.9 | Low | 58.6 | Low | 14 Ų | 14 | 51 Ų | 51 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 42.3 | -177.9 | -63.9 | -23.9 | 0 | 0 | 0 | 113.2 | R245 I249 T426 I427 H428 Y745 Y747 | R245-N247 PolarHBondContact O-N 3.44Å; R245-N247 VanDerWaalsContact O-N 3.14Å; N247-I249 PolarHBondContact O-N 3Å; N247-T426 WeakPolarHBondContact CB-O 3.46Å; N247-T426 PolarHBondContact ND2-O 3.03Å; N247-T426 PolarHBondContact OD1-O 2.71Å; N247-I427 HydrophobicContact CB-CB 4.5Å; N247-I427 HydrophobicContact CB-CG2 4.17Å; N247-H428 HydrophobicContact CB-CB 4.42Å; N247-H428 WeakPolarHBondContact ND2-CB 3.27Å; N247-H428 PolarHBondContact ND2-N 3.08Å; N247-Y745 PolarHBondContact N-O 2.99Å; N247-Y747 PolarHBondContact ND2-O 2.83Å; N247-Y747 PolarHBondContact OD1-N 3.01Å |
| 248 | E | 58.7 | Low | 60.6 | Low | 135 Ų | 135 | 43.9 Ų | 43.9 | 63% | 0.631 | 24% | 0.242 | S | C | * | . | P | Polyproline II helix | trans | -49.6 | 133 | 173.8 | -173.4 | 178.1 | 178.1 | 0 | 0 | 110.4 | R245 I246 P250 | R245-E248 PolarHBondContact O-N 3.27Å; I246-E248 PolarHBondContact O-N 2.95Å; E248-P250 VanDerWaalsContact O-CD 3.26Å; E248-P250 WeakPolarHBondContact O-CD 3.36Å |
| 249 | I | 61.1 | Low | 62.5 | Low | 31 Ų | 31 | 40.8 Ų | 40.8 | 16% | 0.159 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 118.5 | 179.6 | -60.9 | 173.6 | 0 | 0 | 0 | 107.8 | N247 S403 L407 F421 L459 | N247-I249 PolarHBondContact O-N 3Å; I249-S403 WeakPolarHBondContact O-CB 3.41Å; I249-L407 HydrophobicContact CD1-CD1 3.9Å; I249-L407 HydrophobicContact CD1-CD2 4.42Å; I249-L407 HydrophobicContact CG2-CD2 4.24Å; I249-L407 HydrophobicContact CG2-CG 4.35Å; I249-F421 HydrophobicContact CD1-CE1 3.97Å; I249-F421 HydrophobicContact CD1-CZ 4.11Å; I249-F421 HydrophobicContact CG1-CE1 4.22Å; I249-L459 HydrophobicContact CG2-CD1 3.92Å; I249-L459 HydrophobicContact CG2-CD2 4.05Å |
| 250 | P | 66.5 | Low | 63.8 | Low | 33 Ų | 33 | 41.7 Ų | 41.7 | 21% | 0.214 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 143.6 | -179.2 | 21 | -25.8 | 0 | 0 | 0 | 110.8 | E248 V252 L459 A460 | E248-P250 VanDerWaalsContact O-CD 3.26Å; E248-P250 WeakPolarHBondContact O-CD 3.36Å; P250-V252 PolarHBondContact O-N 2.89Å; P250-L459 HydrophobicContact CG-CD1 3.65Å; P250-L459 HydrophobicContact CG-CD2 4.32Å; P250-L459 HydrophobicContact CG-CG 3.72Å; P250-L459 WeakPolarHBondContact O-CD1 3.5Å; P250-A460 WeakPolarHBondContact CG-O 3.43Å |
| 251 | N | 75.5 | Confident | 65.1 | Low | 54 Ų | 54 | 43 Ų | 43 | 29% | 0.289 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -79.6 | 20.7 | 170 | 67.3 | -42.5 | 0 | 0 | 0 | 112.4 | L400 V406 | N251-L400 PolarHBondContact ND2-O 3.11Å; N251-L400 PolarHBondContact O-N 3.31Å; N251-V406 WeakPolarHBondContact O-CG2 3.19Å |
| 252 | V | 78.8 | Confident | 66.1 | Low | 22 Ų | 22 | 41.1 Ų | 41.1 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 131.1 | -175.8 | -175.5 | 0 | 0 | 0 | 0 | 110 | P250 W286 F397 I398 A460 | P250-V252 PolarHBondContact O-N 2.89Å; V252-W286 HydrophobicContact CB-CH2 4.41Å; V252-W286 HydrophobicContact CG1-CH2 3.58Å; V252-W286 HydrophobicContact CG1-CZ2 4.29Å; V252-W286 HydrophobicContact CG1-CZ3 4.33Å; V252-W286 HydrophobicContact CG2-CH2 3.87Å; V252-W286 HydrophobicContact CG2-CZ2 3.73Å; V252-F397 HydrophobicContact CG1-CB 4.12Å; V252-F397 HydrophobicContact CG1-CD1 4.14Å; V252-I398 CarbonylContact C-O 3.51Å; V252-I398 WeakPolarHBondContact CA-O 3.45Å; V252-A460 HydrophobicContact CB-CB 3.86Å; V252-A460 HydrophobicContact CG1-CB 3.72Å; V252-A460 WeakPolarHBondContact O-CB 3.26Å; V252-A460 PolarHBondContact O-N 2.91Å |
| 253 | L | 76 | Confident | 67.2 | Low | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 142.7 | 172.4 | -71.6 | 164.5 | 0 | 0 | 0 | 110.1 | F397 I398 L400 V406 F409 L410 V457 | L253-F397 CarbonylContact O-C 2.99Å; L253-F397 VanDerWaalsContact O-CA 3.28Å; L253-F397 WeakPolarHBondContact O-CA 3.25Å; L253-I398 HydrophobicContact CB-CB 4.27Å; L253-I398 PolarHBondContact N-O 3.18Å; L253-I398 PolarHBondContact O-N 2.9Å; L253-L400 HydrophobicContact CD1-CD1 3.79Å; L253-L400 HydrophobicContact CD1-CG 4.29Å; L253-V406 HydrophobicContact CD2-CG1 3.66Å; L253-V406 HydrophobicContact CG-CG1 4.03Å; L253-V406 HydrophobicContact CG-CG2 4.27Å; L253-F409 HydrophobicContact CD1-CB 4.44Å; L253-F409 HydrophobicContact CD1-CD1 3.43Å; L253-F409 VanDerWaalsContact CD1-CD1 3.43Å; L253-F409 HydrophobicContact CD1-CE1 3.81Å; L253-F409 HydrophobicContact CD1-CG 4.04Å; L253-F409 HydrophobicContact CD2-CD1 4.03Å; L253-F409 HydrophobicContact CG-CD1 4.4Å; L253-L410 HydrophobicContact CD2-CD1 3.77Å; L253-L410 HydrophobicContact CD2-CD2 3.88Å; L253-L410 HydrophobicContact CD2-CG 3.69Å; L253-V457 HydrophobicContact CD2-CG1 3.86Å |
| 254 | M | 75.8 | Confident | 68.4 | Low | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 110.8 | 170.5 | -176.6 | -171 | -170.4 | 0 | 0 | 109.3 | T256 I395 F397 Y458 A460 | M254-T256 HydrophobicContact CE-CG2 4.16Å; M254-T256 HydrophobicContact CG-CG2 4.28Å; M254-T256 HydrophobicContact SD-CG2 4.48Å; M254-I395 HydrophobicContact CE-CD1 3.91Å; M254-I395 HydrophobicContact CE-CG1 4.31Å; M254-I395 HydrophobicContact CE-CG2 3.48Å; M254-I395 VanDerWaalsContact CE-CG2 3.48Å; M254-I395 HydrophobicContact CG-CG2 4.03Å; M254-F397 HydrophobicContact CB-CD1 3.98Å; M254-F397 HydrophobicContact CB-CE1 3.75Å; M254-F397 HydrophobicContact CE-CZ 4.32Å; M254-F397 HydrophobicContact CG-CD1 4.11Å; M254-F397 HydrophobicContact CG-CE1 3.58Å; M254-F397 HydrophobicContact CG-CZ 4.24Å; M254-F397 HydrophobicContact SD-CE1 4.12Å; M254-F397 HydrophobicContact SD-CZ 4.47Å; M254-Y458 PolarHBondContact N-O 3.29Å; M254-Y458 PolarHBondContact O-N 2.93Å; M254-A460 HydrophobicContact CB-CB 4.08Å |
| 255 | L | 77.3 | Confident | 69.6 | Low | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 141.9 | 172.8 | -55.3 | -177.2 | 0 | 0 | 0 | 110.2 | V258 F267 I271 I395 V396 I398 F454 V457 | L255-V258 HydrophobicContact CB-CG2 4.46Å; L255-F267 HydrophobicContact CD1-CZ 4.47Å; L255-I271 HydrophobicContact CD1-CD1 3.27Å; L255-I395 VanDerWaalsContact O-CA 3.31Å; L255-I395 WeakPolarHBondContact O-CA 3.38Å; L255-V396 HydrophobicContact CB-CB 4.32Å; L255-V396 PolarHBondContact N-O 3.36Å; L255-V396 PolarHBondContact O-N 2.6Å; L255-I398 HydrophobicContact CD1-CD1 3.44Å; L255-I398 VanDerWaalsContact CD1-CD1 3.44Å; L255-I398 HydrophobicContact CD1-CG1 4.19Å; L255-I398 HydrophobicContact CG-CD1 4.16Å; L255-F454 HydrophobicContact CB-CB 4.49Å; L255-F454 HydrophobicContact CD1-CD1 4.15Å; L255-F454 HydrophobicContact CD2-CD2 4.44Å; L255-F454 HydrophobicContact CD2-CG 4.37Å; L255-V457 HydrophobicContact CD2-CB 4.04Å; L255-V457 HydrophobicContact CD2-CG1 3.71Å; L255-V457 HydrophobicContact CD2-CG2 3.61Å |
| 256 | T | 75.6 | Confident | 70.9 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 152.5 | 177.3 | 69 | 0 | 0 | 0 | 0 | 112.2 | M254 I395 S455 H456 Y458 | M254-T256 HydrophobicContact CE-CG2 4.16Å; M254-T256 HydrophobicContact CG-CG2 4.28Å; M254-T256 HydrophobicContact SD-CG2 4.48Å; T256-I395 HydrophobicContact CG2-CG1 4.39Å; T256-S455 PolarHBondContact O-N 2.91Å; T256-S455 VanDerWaalsContact O-N 3.07Å; T256-H456 PolarHBondContact N-O 3.26Å; T256-H456 PolarHBondContact O-N 3.48Å; T256-Y458 HydrophobicContact CG2-CD2 4.23Å; T256-Y458 HydrophobicContact CG2-CE2 4.29Å |
| 257 | G | 73.9 | Confident | 72 | Confident | 34 Ų | 34 | 41.8 Ų | 41.8 | 35% | 0.351 | 25% | 0.25 | S | C | . | . | trans | 75.9 | 31.1 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | G394 | G257-G394 PolarHBondContact N-O 3.43Å; G257-G394 VanDerWaalsContact N-O 3.12Å | ||
| 258 | V | 78.3 | Confident | 73.2 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | trans | -70.9 | 127.9 | 167 | 176.9 | 0 | 0 | 0 | 0 | 108 | L255 S260 F267 G394 V396 F454 | L255-V258 HydrophobicContact CB-CG2 4.46Å; V258-S260 PolarHBondContact O-N 3.27Å; V258-F267 HydrophobicContact CB-CE2 4.12Å; V258-F267 HydrophobicContact CG1-CD2 3.37Å; V258-F267 HydrophobicContact CG1-CE2 3.27Å; V258-F267 HydrophobicContact CG1-CG 4.03Å; V258-F267 HydrophobicContact CG1-CZ 3.91Å; V258-F267 HydrophobicContact CG2-CE2 3.69Å; V258-F267 HydrophobicContact CG2-CZ 3.75Å; V258-G394 PolarHBondContact N-O 3.23Å; V258-G394 VanDerWaalsContact N-O 3.11Å; V258-G394 WeakPolarHBondContact O-CA 3.27Å; V258-V396 HydrophobicContact CG2-CG2 3.98Å; V258-F454 HydrophobicContact CG2-CB 4.12Å | ||
| 259 | P | 77.2 | Confident | 74.4 | Confident | 48 Ų | 48 | 42.7 Ų | 42.7 | 31% | 0.312 | 25% | 0.253 | S | S | . | . | trans | -56.7 | 123.7 | -179.1 | -24.1 | 33.1 | 0 | 0 | 0 | 112 | S261 T262 H392 Y452 | P259-S261 PolarHBondContact O-N 3.46Å; P259-T262 PolarHBondContact O-N 3.06Å; P259-T262 PolarHBondContact O-OG1 3.47Å; P259-H392 PolarHBondContact O-CE1 3.43Å; P259-Y452 WeakPolarHBondContact CG-O 3.27Å | ||
| 260 | S | 70 | Confident | 75.5 | Confident | 91 Ų | 91 | 43.6 Ų | 43.6 | 64% | 0.636 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -11.5 | -178.1 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | V258 T262 | V258-S260 PolarHBondContact O-N 3.27Å; S260-T262 VanDerWaalsContact C-N 3.33Å |
| 261 | S | 67.1 | Low | 76.3 | Confident | 109 Ų | 109 | 42 Ų | 42 | 76% | 0.762 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -14.8 | 177 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | P259 | P259-S261 PolarHBondContact O-N 3.46Š|
| 262 | T | 66.9 | Low | 76.8 | Confident | 31 Ų | 31 | 41.6 Ų | 41.6 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -81.4 | 129.1 | -178.1 | -46.5 | 0 | 0 | 0 | 0 | 109.1 | P259 S260 F267 H392 | P259-T262 PolarHBondContact O-N 3.06Å; P259-T262 PolarHBondContact O-OG1 3.47Å; S260-T262 VanDerWaalsContact C-N 3.33Å; T262-F267 HydrophobicContact CG2-CB 3.87Å; T262-H392 PolarHBondContact O-NE2 2.84Å |
| 263 | T | 71.4 | Confident | 77.1 | Confident | 74 Ų | 74 | 45 Ų | 45 | 45% | 0.454 | 26% | 0.261 | S | S | . | . | trans | -63.1 | 146 | 173.4 | 59.5 | 0 | 0 | 0 | 0 | 109.6 | K265 S266 F267 | T263-K265 PolarHBondContact O-N 2.93Å; T263-S266 PolarHBondContact O-N 3.35Å; T263-S266 VanDerWaalsContact OG1-CB 3.26Å; T263-S266 WeakPolarHBondContact OG1-CB 3.46Å; T263-S266 PolarHBondContact OG1-N 2.95Å; T263-F267 PolarHBondContact O-N 2.94Å | ||
| 264 | V | 72.3 | Confident | 77.5 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53.7 | -44.5 | -179.2 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | S266 F267 V268 P289 Y291 | V264-S266 PolarHBondContact O-N 3.33Å; V264-F267 PolarHBondContact O-N 2.74Å; V264-V268 HydrophobicContact CG1-CG2 4.1Å; V264-V268 WeakPolarHBondContact O-CB 3.49Å; V264-V268 VanDerWaalsContact O-CG2 3.23Å; V264-V268 WeakPolarHBondContact O-CG2 3.27Å; V264-V268 PolarHBondContact O-N 2.65Å; V264-P289 HydrophobicContact CG1-CG 3.81Å; V264-P289 HydrophobicContact CG2-CG 4.19Å; V264-Y291 HydrophobicContact CG2-CE1 4.04Å |
| 265 | K | 74.7 | Confident | 77.8 | Confident | 125 Ų | 125 | 45.5 Ų | 45.5 | 54% | 0.543 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 176.4 | -68.8 | 179.5 | -174.9 | 167.2 | 0 | 113 | T263 K269 D386 | T263-K265 PolarHBondContact O-N 2.93Å; K265-K269 WeakPolarHBondContact O-CB 3.11Å; K265-K269 PolarHBondContact O-N 3.5Å; K265-D386 WeakPolarHBondContact CE-O 3.17Å; K265-D386 PolarHBondContact NZ-O 3.48Å |
| 266 | S | 79 | Confident | 78.2 | Confident | 46 Ų | 46 | 52.5 Ų | 52.5 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 179.1 | -164.6 | 0 | 0 | 0 | 0 | 110.3 | T263 V264 K269 E270 | T263-S266 PolarHBondContact O-N 3.35Å; T263-S266 VanDerWaalsContact OG1-CB 3.26Å; T263-S266 WeakPolarHBondContact OG1-CB 3.46Å; T263-S266 PolarHBondContact OG1-N 2.95Å; V264-S266 PolarHBondContact O-N 3.33Å; S266-K269 PolarHBondContact O-N 2.84Å; S266-E270 WeakPolarHBondContact O-CB 3.42Å; S266-E270 WeakPolarHBondContact O-CG 3.47Å; S266-E270 PolarHBondContact O-N 2.98Å; S266-E270 PolarHBondContact OG-OE1 2.93Å |
| 267 | F | 80.7 | Confident | 78.4 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.009 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 178.7 | 174.3 | -93.5 | 0 | 0 | 0 | 112.2 | L255 V258 T262 T263 V264 K269 E270 I271 V396 L453 | L255-F267 HydrophobicContact CD1-CZ 4.47Å; V258-F267 HydrophobicContact CB-CE2 4.12Å; V258-F267 HydrophobicContact CG1-CD2 3.37Å; V258-F267 HydrophobicContact CG1-CE2 3.27Å; V258-F267 HydrophobicContact CG1-CG 4.03Å; V258-F267 HydrophobicContact CG1-CZ 3.91Å; V258-F267 HydrophobicContact CG2-CE2 3.69Å; V258-F267 HydrophobicContact CG2-CZ 3.75Å; T262-F267 HydrophobicContact CG2-CB 3.87Å; T263-F267 PolarHBondContact O-N 2.94Å; V264-F267 PolarHBondContact O-N 2.74Å; F267-K269 VanDerWaalsContact C-N 3.27Å; F267-K269 PolarHBondContact O-N 3.35Å; F267-E270 PolarHBondContact O-N 2.85Å; F267-I271 HydrophobicContact CD1-CG2 4.48Å; F267-I271 HydrophobicContact CE1-CB 4.3Å; F267-I271 HydrophobicContact CE1-CD1 3.96Å; F267-I271 HydrophobicContact CE1-CG2 4.06Å; F267-I271 HydrophobicContact CE2-CD1 4.05Å; F267-I271 HydrophobicContact CZ-CB 4.23Å; F267-I271 HydrophobicContact CZ-CD1 3.36Å; F267-I271 HydrophobicContact CZ-CG1 4.4Å; F267-I271 HydrophobicContact CZ-CG2 4.46Å; F267-I271 WeakPolarHBondContact O-CB 3.34Å; F267-I271 WeakPolarHBondContact O-CG2 3.29Å; F267-I271 PolarHBondContact O-N 3.32Å; F267-V396 HydrophobicContact CD1-CG2 4.3Å; F267-V396 HydrophobicContact CE1-CB 4.13Å; F267-V396 HydrophobicContact CE1-CG1 3.91Å; F267-V396 HydrophobicContact CE1-CG2 3.59Å; F267-V396 HydrophobicContact CZ-CB 4.35Å; F267-V396 HydrophobicContact CZ-CG1 4.5Å; F267-V396 HydrophobicContact CZ-CG2 3.86Å; F267-L453 HydrophobicContact CD2-CD1 4.14Å; F267-L453 HydrophobicContact CD2-CG 4.34Å; F267-L453 HydrophobicContact CE2-CD1 4.21Å; F267-L453 HydrophobicContact CE2-CG 3.89Å |
| 268 | V | 81.1 | Confident | 78.7 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 20% | 0.2 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | V264 I271 T272 I287 | V264-V268 HydrophobicContact CG1-CG2 4.1Å; V264-V268 WeakPolarHBondContact O-CB 3.49Å; V264-V268 VanDerWaalsContact O-CG2 3.23Å; V264-V268 WeakPolarHBondContact O-CG2 3.27Å; V264-V268 PolarHBondContact O-N 2.65Å; V268-I271 WeakPolarHBondContact O-CG2 3.34Å; V268-T272 VanDerWaalsContact O-CB 3.23Å; V268-T272 WeakPolarHBondContact O-CB 3.47Å; V268-T272 PolarHBondContact O-N 3.45Å; V268-T272 PolarHBondContact O-OG1 3.27Å; V268-I287 HydrophobicContact CG2-CG2 4.23Å |
| 269 | K | 84.1 | Confident | 78.8 | Confident | 135 Ų | 135 | 59.2 Ų | 59.2 | 59% | 0.587 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.1 | -52.6 | 175 | -174 | -177.6 | 176.6 | -173.7 | 0 | 111.6 | K265 S266 F267 I271 T272 E273 | K265-K269 WeakPolarHBondContact O-CB 3.11Å; K265-K269 PolarHBondContact O-N 3.5Å; S266-K269 PolarHBondContact O-N 2.84Å; F267-K269 VanDerWaalsContact C-N 3.27Å; F267-K269 PolarHBondContact O-N 3.35Å; K269-I271 VanDerWaalsContact C-N 3.33Å; K269-I271 PolarHBondContact O-N 2.84Å; K269-T272 PolarHBondContact O-N 3.11Å; K269-E273 VanDerWaalsContact CE-OE1 3.27Å; K269-E273 WeakPolarHBondContact CE-OE1 3.37Å; K269-E273 WeakPolarHBondContact O-CG 3.42Å; K269-E273 PolarHBondContact O-N 3.36Å |
| 270 | E | 83.5 | Confident | 78.8 | Confident | 50 Ų | 50 | 62 Ų | 62 | 23% | 0.234 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.4 | -41.2 | -179.5 | -75.8 | 169.7 | -143.9 | 0 | 0 | 112.2 | S266 F267 E273 F274 L453 | S266-E270 WeakPolarHBondContact O-CB 3.42Å; S266-E270 WeakPolarHBondContact O-CG 3.47Å; S266-E270 PolarHBondContact O-N 2.98Å; S266-E270 PolarHBondContact OG-OE1 2.93Å; F267-E270 PolarHBondContact O-N 2.85Å; E270-E273 PolarHBondContact O-N 3.45Å; E270-F274 WeakPolarHBondContact O-CB 3.43Å; E270-F274 PolarHBondContact O-N 2.98Å; E270-L453 HydrophobicContact CB-CD1 3.65Å; E270-L453 VanDerWaalsContact OE2-CD1 3.29Å; E270-L453 WeakPolarHBondContact OE2-CD1 3.48Å |
| 271 | I | 83.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -73.1 | -35.3 | 179.7 | -157.3 | 153.1 | 0 | 0 | 0 | 112.1 | L255 F267 V268 K269 E273 F274 F275 I287 I398 L453 F454 | L255-I271 HydrophobicContact CD1-CD1 3.27Å; F267-I271 HydrophobicContact CD1-CG2 4.48Å; F267-I271 HydrophobicContact CE1-CB 4.3Å; F267-I271 HydrophobicContact CE1-CD1 3.96Å; F267-I271 HydrophobicContact CE1-CG2 4.06Å; F267-I271 HydrophobicContact CE2-CD1 4.05Å; F267-I271 HydrophobicContact CZ-CB 4.23Å; F267-I271 HydrophobicContact CZ-CD1 3.36Å; F267-I271 HydrophobicContact CZ-CG1 4.4Å; F267-I271 HydrophobicContact CZ-CG2 4.46Å; F267-I271 WeakPolarHBondContact O-CB 3.34Å; F267-I271 WeakPolarHBondContact O-CG2 3.29Å; F267-I271 PolarHBondContact O-N 3.32Å; V268-I271 WeakPolarHBondContact O-CG2 3.34Å; K269-I271 VanDerWaalsContact C-N 3.33Å; K269-I271 PolarHBondContact O-N 2.84Å; I271-E273 VanDerWaalsContact C-N 3.35Å; I271-F274 WeakPolarHBondContact O-CB 3.36Å; I271-F274 PolarHBondContact O-N 3.12Å; I271-F275 HydrophobicContact CD1-CE2 4.25Å; I271-F275 HydrophobicContact CG1-CD2 3.93Å; I271-F275 HydrophobicContact CG1-CE2 3.73Å; I271-F275 WeakPolarHBondContact O-CD2 3.45Å; I271-F275 PolarHBondContact O-N 3.21Å; I271-I287 HydrophobicContact CG2-CD1 3.68Å; I271-I287 HydrophobicContact CG2-CG2 4.24Å; I271-I398 HydrophobicContact CD1-CD1 3.81Å; I271-I398 HydrophobicContact CG1-CD1 4.36Å; I271-L453 HydrophobicContact CB-CD2 3.75Å; I271-L453 HydrophobicContact CD1-CD2 3.84Å; I271-L453 HydrophobicContact CG1-CD2 3.62Å; I271-F454 HydrophobicContact CD1-CD1 4.36Å |
| 272 | T | 85.3 | Confident | 79.9 | Confident | 46 Ų | 46 | 57.4 Ų | 57.4 | 28% | 0.282 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 173.7 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | V268 K269 F275 K276 | V268-T272 VanDerWaalsContact O-CB 3.23Å; V268-T272 WeakPolarHBondContact O-CB 3.47Å; V268-T272 PolarHBondContact O-N 3.45Å; V268-T272 PolarHBondContact O-OG1 3.27Å; K269-T272 PolarHBondContact O-N 3.11Å; T272-F275 PolarHBondContact O-N 3.25Å; T272-K276 HydrophobicContact CG2-CD 4.29Å; T272-K276 WeakPolarHBondContact O-CB 3.21Å; T272-K276 VanDerWaalsContact O-CG 3.28Å; T272-K276 WeakPolarHBondContact O-CG 3.45Å; T272-K276 PolarHBondContact O-N 3.21Å |
| 273 | E | 85.6 | Confident | 80.8 | Confident | 93 Ų | 93 | 61.6 Ų | 61.6 | 44% | 0.435 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 172.6 | -75.3 | 178.9 | -166.6 | 0 | 0 | 111.7 | K269 E270 I271 F275 K276 I277 | K269-E273 VanDerWaalsContact CE-OE1 3.27Å; K269-E273 WeakPolarHBondContact CE-OE1 3.37Å; K269-E273 WeakPolarHBondContact O-CG 3.42Å; K269-E273 PolarHBondContact O-N 3.36Å; E270-E273 PolarHBondContact O-N 3.45Å; I271-E273 VanDerWaalsContact C-N 3.35Å; E273-F275 PolarHBondContact O-N 3.48Å; E273-K276 PolarHBondContact O-N 3.3Å; E273-I277 WeakPolarHBondContact O-CB 3.48Å; E273-I277 VanDerWaalsContact O-CG1 3.24Å; E273-I277 WeakPolarHBondContact O-CG1 3.46Å; E273-I277 PolarHBondContact O-N 3.45Å |
| 274 | F | 83.8 | Confident | 81.4 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.3 | -47.2 | 175.1 | 172.6 | -89.1 | 0 | 0 | 0 | 112.2 | E270 I271 I277 N278 F409 Y413 L453 F454 | E270-F274 WeakPolarHBondContact O-CB 3.43Å; E270-F274 PolarHBondContact O-N 2.98Å; I271-F274 WeakPolarHBondContact O-CB 3.36Å; I271-F274 PolarHBondContact O-N 3.12Å; F274-I277 PolarHBondContact O-N 2.88Å; F274-N278 WeakPolarHBondContact CD2-ND2 3.41Å; F274-N278 WeakPolarHBondContact CE2-ND2 3.4Å; F274-N278 WeakPolarHBondContact O-CB 3.3Å; F274-N278 PolarHBondContact O-N 3.05Å; F274-F409 HydrophobicContact CE1-CE2 4.14Å; F274-F409 HydrophobicContact CE1-CZ 4.29Å; F274-Y413 HydrophobicContact CZ-CE1 4.29Å; F274-Y413 HydrophobicContact CZ-CE2 4.39Å; F274-Y413 AromaticContact CZ-CZ 3.69Å; F274-Y413 WeakPolarHBondContact CZ-OH 3.32Å; F274-L453 HydrophobicContact CB-CD2 4.16Å; F274-L453 HydrophobicContact CG-CD2 4.29Å; F274-F454 HydrophobicContact CE1-CE1 4.1Å; F274-F454 HydrophobicContact CE1-CZ 4.18Å; F274-F454 HydrophobicContact CZ-CE1 4.14Å; F274-F454 AromaticContact CZ-CZ 3.98Å; F274-F454 HydrophobicContact CZ-CZ 3.98Å |
| 275 | F | 82.8 | Confident | 82.1 | Confident | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.6 | -43 | 176.7 | -83.5 | -73.1 | 0 | 0 | 0 | 111.5 | I271 T272 E273 I277 H279 L282 V284 I398 F409 | I271-F275 HydrophobicContact CD1-CE2 4.25Å; I271-F275 HydrophobicContact CG1-CD2 3.93Å; I271-F275 HydrophobicContact CG1-CE2 3.73Å; I271-F275 WeakPolarHBondContact O-CD2 3.45Å; I271-F275 PolarHBondContact O-N 3.21Å; T272-F275 PolarHBondContact O-N 3.25Å; E273-F275 PolarHBondContact O-N 3.48Å; F275-I277 VanDerWaalsContact C-N 3.33Å; F275-I277 PolarHBondContact O-N 3.22Å; F275-H279 CarbonylContact O-C 3.54Å; F275-H279 WeakPolarHBondContact O-CA 3.26Å; F275-H279 PolarHBondContact O-N 3.44Å; F275-L282 HydrophobicContact CD1-CD1 4.06Å; F275-L282 HydrophobicContact CE1-CD1 4.04Å; F275-V284 HydrophobicContact CB-CG2 4.17Å; F275-V284 HydrophobicContact CD1-CG2 4.15Å; F275-V284 HydrophobicContact CD2-CG2 4.11Å; F275-V284 HydrophobicContact CG-CG2 3.89Å; F275-I398 HydrophobicContact CE2-CD1 3.52Å; F275-I398 HydrophobicContact CE2-CG2 4.48Å; F275-I398 HydrophobicContact CZ-CD1 3.95Å; F275-I398 HydrophobicContact CZ-CG2 4.5Å; F275-F409 HydrophobicContact CD1-CD2 4.43Å; F275-F409 HydrophobicContact CD1-CE2 4.07Å; F275-F409 AromaticContact CE1-CD2 3.61Å; F275-F409 HydrophobicContact CE1-CD2 3.61Å; F275-F409 AromaticContact CE1-CE2 3.21Å; F275-F409 HydrophobicContact CE1-CE2 3.21Å; F275-F409 HydrophobicContact CE1-CG 4.4Å; F275-F409 AromaticContact CE1-CZ 3.78Å; F275-F409 HydrophobicContact CE1-CZ 3.78Å; F275-F409 HydrophobicContact CZ-CD2 4.38Å; F275-F409 HydrophobicContact CZ-CE1 4.44Å; F275-F409 AromaticContact CZ-CE2 3.7Å; F275-F409 HydrophobicContact CZ-CE2 3.7Å; F275-F409 AromaticContact CZ-CZ 3.75Å; F275-F409 HydrophobicContact CZ-CZ 3.75Å |
| 276 | K | 84.2 | Confident | 82.7 | Confident | 147 Ų | 147 | 62.4 Ų | 62.4 | 64% | 0.639 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.9 | -39.7 | 177.4 | -75 | 174.6 | 178.4 | 179.5 | 0 | 113.1 | T272 E273 | T272-K276 HydrophobicContact CG2-CD 4.29Å; T272-K276 WeakPolarHBondContact O-CB 3.21Å; T272-K276 VanDerWaalsContact O-CG 3.28Å; T272-K276 WeakPolarHBondContact O-CG 3.45Å; T272-K276 PolarHBondContact O-N 3.21Å; E273-K276 PolarHBondContact O-N 3.3Å |
| 277 | I | 81.5 | Confident | 83 | Confident | 99 Ų | 99 | 61.6 Ų | 61.6 | 51% | 0.508 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -80.4 | -48.6 | -176.6 | -65.8 | 166.4 | 0 | 0 | 0 | 111.2 | E273 F274 F275 | E273-I277 WeakPolarHBondContact O-CB 3.48Å; E273-I277 VanDerWaalsContact O-CG1 3.24Å; E273-I277 WeakPolarHBondContact O-CG1 3.46Å; E273-I277 PolarHBondContact O-N 3.45Å; F274-I277 PolarHBondContact O-N 2.88Å; F275-I277 VanDerWaalsContact C-N 3.33Å; F275-I277 PolarHBondContact O-N 3.22Å |
| 278 | N | 78.4 | Confident | 83.1 | Confident | 66 Ų | 66 | 66.1 Ų | 66.1 | 35% | 0.353 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -91.6 | -24.1 | -169.5 | -64.9 | -29 | 0 | 0 | 0 | 113.3 | F274 | F274-N278 WeakPolarHBondContact CD2-ND2 3.41Å; F274-N278 WeakPolarHBondContact CE2-ND2 3.4Å; F274-N278 WeakPolarHBondContact O-CB 3.3Å; F274-N278 PolarHBondContact O-N 3.05Å |
| 279 | H | 80.4 | Confident | 83.2 | Confident | 20 Ų | 20 | 65 Ų | 65 | 9% | 0.093 | 32% | 0.317 | C | S | . | . | trans | -144.1 | 62.9 | -176.7 | -62.3 | -83.3 | 0 | 0 | 0 | 112 | F275 D281 L282 F409 Y413 | F275-H279 CarbonylContact O-C 3.54Å; F275-H279 WeakPolarHBondContact O-CA 3.26Å; F275-H279 PolarHBondContact O-N 3.44Å; H279-D281 PolarHBondContact O-N 2.84Å; H279-D281 VanDerWaalsContact O-N 3.08Å; H279-L282 HydrophobicContact CB-CB 4.25Å; H279-L282 HydrophobicContact CB-CD1 3.37Å; H279-L282 HydrophobicContact CB-CG 3.76Å; H279-L282 PolarHBondContact O-N 3.49Å; H279-L282 VanDerWaalsContact O-N 3.07Å; H279-F409 AromaticContact CD2-CD2 3.92Å; H279-F409 AromaticContact CD2-CE2 3.87Å; H279-Y413 AromaticContact CD2-CE2 3.96Å; H279-Y413 PolarHBondContact CD2-OH 2.83Å; H279-Y413 AromaticContact CE1-CE2 3.8Å; H279-Y413 AromaticContact NE2-CE2 3.11Å; H279-Y413 WeakPolarHBondContact NE2-CE2 3.49Å; H279-Y413 AromaticContact NE2-CZ 3.25Å; H279-Y413 PolarHBondContact NE2-OH 3.02Å | ||
| 280 | P | 78 | Confident | 83 | Confident | 107 Ų | 107 | 59 Ų | 59 | 70% | 0.695 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.8 | -177 | 26.4 | -35.4 | 0 | 0 | 0 | 113.9 | ||
| 281 | D | 79.6 | Confident | 82.8 | Confident | 88 Ų | 88 | 58 Ų | 58 | 47% | 0.471 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16.6 | 177.2 | 65.8 | -52.1 | 0 | 0 | 0 | 113.8 | H279 | H279-D281 PolarHBondContact O-N 2.84Å; H279-D281 VanDerWaalsContact O-N 3.08Å |
| 282 | L | 80.6 | Confident | 82.6 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | trans | -83.3 | 127.1 | 179.2 | -63.8 | 176 | 0 | 0 | 0 | 111 | F275 H279 L400 Q405 F409 | F275-L282 HydrophobicContact CD1-CD1 4.06Å; F275-L282 HydrophobicContact CE1-CD1 4.04Å; H279-L282 HydrophobicContact CB-CB 4.25Å; H279-L282 HydrophobicContact CB-CD1 3.37Å; H279-L282 HydrophobicContact CB-CG 3.76Å; H279-L282 PolarHBondContact O-N 3.49Å; H279-L282 VanDerWaalsContact O-N 3.07Å; L282-L400 HydrophobicContact CD2-CD1 4.43Å; L282-Q405 HydrophobicContact CD2-CB 3.57Å; L282-Q405 HydrophobicContact CD2-CG 3.88Å; L282-Q405 WeakPolarHBondContact CD2-O 3.32Å; L282-F409 HydrophobicContact CD1-CB 3.82Å; L282-F409 HydrophobicContact CD1-CD2 3.52Å; L282-F409 HydrophobicContact CD1-CE2 4.48Å; L282-F409 HydrophobicContact CD1-CG 4.07Å | ||
| 283 | K | 85.4 | Confident | 82.2 | Confident | 120 Ų | 120 | 59.7 Ų | 59.7 | 52% | 0.522 | 29% | 0.294 | S | S | . | . | trans | -96.4 | 100.6 | 174.3 | -61.9 | -163.6 | -146.2 | 147.8 | 0 | 110.1 | K285 E401 Q405 | K283-K285 PolarHBondContact O-N 2.98Å; K283-E401 HydrophobicContact CB-CB 4.06Å; K283-E401 WeakPolarHBondContact CD-OE2 3.43Å; K283-E401 VanDerWaalsContact CE-OE2 3.24Å; K283-E401 WeakPolarHBondContact CE-OE2 3.28Å; K283-E401 IonicContact NZ-OE1 2.91Å; K283-E401 PolarHBondContact NZ-OE1 3.45Å; K283-E401 IonicContact NZ-OE2 3.04Å; K283-E401 PolarHBondContact NZ-OE2 2.81Å; K283-E401 PolarHBondContact O-N 3.34Å; K283-E401 VanDerWaalsContact O-N 3.13Å; K283-Q405 PolarHBondContact O-OE1 3.34Å | ||
| 284 | V | 84.8 | Confident | 82.1 | Confident | 51 Ų | 51 | 57.6 Ų | 57.6 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 120 | 173.1 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | F275 I287 I398 L400 | F275-V284 HydrophobicContact CB-CG2 4.17Å; F275-V284 HydrophobicContact CD1-CG2 4.15Å; F275-V284 HydrophobicContact CD2-CG2 4.11Å; F275-V284 HydrophobicContact CG-CG2 3.89Å; V284-I287 HydrophobicContact CG1-CD1 3.95Å; V284-I287 HydrophobicContact CG1-CG1 3.69Å; V284-I398 HydrophobicContact CG1-CG2 3.84Å; V284-L400 HydrophobicContact CB-CD2 4.35Å; V284-L400 HydrophobicContact CG2-CD2 3.84Å |
| 285 | K | 86 | Confident | 82.1 | Confident | 83 Ų | 83 | 62.1 Ų | 62.1 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -43.8 | 176.8 | -75.2 | 178.8 | 166.2 | 158.4 | 0 | 111.9 | K283 G399 E401 | K283-K285 PolarHBondContact O-N 2.98Å; K285-G399 WeakPolarHBondContact CB-O 3.41Å; K285-G399 PolarHBondContact N-O 3.42Å; K285-E401 PolarHBondContact NZ-O 3.49Å |
| 286 | W | 87.8 | Confident | 82.1 | Confident | 92 Ų | 92 | 62.7 Ų | 62.7 | 35% | 0.348 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 154.5 | -177 | 49.9 | -101.9 | 0 | 0 | 0 | 110.5 | V252 E288 F397 G399 | V252-W286 HydrophobicContact CB-CH2 4.41Å; V252-W286 HydrophobicContact CG1-CH2 3.58Å; V252-W286 HydrophobicContact CG1-CZ2 4.29Å; V252-W286 HydrophobicContact CG1-CZ3 4.33Å; V252-W286 HydrophobicContact CG2-CH2 3.87Å; V252-W286 HydrophobicContact CG2-CZ2 3.73Å; W286-E288 HydrophobicContact CE3-CB 4.14Å; W286-E288 HydrophobicContact CE3-CG 3.93Å; W286-E288 HydrophobicContact CZ3-CB 4.25Å; W286-E288 HydrophobicContact CZ3-CG 4.44Å; W286-F397 HydrophobicContact CH2-CB 4.17Å; W286-F397 HydrophobicContact CZ3-CB 3.7Å; W286-G399 VanDerWaalsContact CE2-CA 3.45Å; W286-G399 PolarHBondContact N-O 2.91Å; W286-G399 PolarHBondContact O-N 3.41Å |
| 287 | I | 84.6 | Confident | 81.9 | Confident | 29 Ų | 29 | 58.2 Ų | 58.2 | 15% | 0.149 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 117.5 | 175.9 | -63.9 | 157.9 | 0 | 0 | 0 | 106 | V268 I271 V284 V396 I398 | V268-I287 HydrophobicContact CG2-CG2 4.23Å; I271-I287 HydrophobicContact CG2-CD1 3.68Å; I271-I287 HydrophobicContact CG2-CG2 4.24Å; V284-I287 HydrophobicContact CG1-CD1 3.95Å; V284-I287 HydrophobicContact CG1-CG1 3.69Å; I287-V396 HydrophobicContact CG2-CG1 3.65Å; I287-I398 HydrophobicContact CG1-CD1 4.34Å; I287-I398 HydrophobicContact CG1-CG1 4.2Å; I287-I398 HydrophobicContact CG1-CG2 4.16Å; I287-I398 HydrophobicContact CG2-CG1 4.3Å |
| 288 | E | 83.3 | Confident | 82.1 | Confident | 97 Ų | 97 | 57.2 Ų | 57.2 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 111.1 | -175.6 | -72.1 | -174.8 | 177.2 | 0 | 0 | 110.4 | W286 F397 | W286-E288 HydrophobicContact CE3-CB 4.14Å; W286-E288 HydrophobicContact CE3-CG 3.93Å; W286-E288 HydrophobicContact CZ3-CB 4.25Å; W286-E288 HydrophobicContact CZ3-CG 4.44Å; E288-F397 PolarHBondContact N-O 3.44Å; E288-F397 PolarHBondContact O-N 3.35Å |
| 289 | P | 82.9 | Confident | 82.5 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 7% | 0.065 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 148.9 | 173.6 | 33.1 | -34.7 | 0 | 0 | 0 | 110.9 | V264 Y291 H392 V396 | V264-P289 HydrophobicContact CG1-CG 3.81Å; V264-P289 HydrophobicContact CG2-CG 4.19Å; P289-Y291 HydrophobicContact CG-CE1 4.02Å; P289-Y291 HydrophobicContact CG-CE2 4.02Å; P289-Y291 VanDerWaalsContact CG-OH 3.27Å; P289-Y291 WeakPolarHBondContact CG-OH 3.33Å; P289-Y291 VanDerWaalsContact O-CD2 3.29Å; P289-Y291 WeakPolarHBondContact O-CD2 3.47Å; P289-Y291 WeakPolarHBondContact O-CE2 3.45Å; P289-Y291 PolarHBondContact O-N 3.37Å; P289-H392 HydrophobicContact CB-CB 4.03Å; P289-V396 HydrophobicContact CB-CG2 3.98Å |
| 290 | V | 80.7 | Confident | 82.7 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 114.5 | 173.8 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | T393 I395 F397 I471 T472 | V290-T393 WeakPolarHBondContact CB-OG1 3.3Å; V290-T393 HydrophobicContact CG1-CG2 4.24Å; V290-T393 WeakPolarHBondContact O-CB 3.33Å; V290-T393 WeakPolarHBondContact O-CG2 3.45Å; V290-T393 PolarHBondContact O-N 3.34Å; V290-T393 PolarHBondContact O-OG1 2.98Å; V290-I395 HydrophobicContact CB-CB 4.14Å; V290-I395 HydrophobicContact CB-CG2 4.41Å; V290-I395 HydrophobicContact CG2-CB 4.06Å; V290-I395 HydrophobicContact CG2-CG2 3.77Å; V290-I395 PolarHBondContact N-O 3.3Å; V290-F397 HydrophobicContact CG2-CD2 3.63Å; V290-F397 HydrophobicContact CG2-CE2 3.34Å; V290-F397 HydrophobicContact CG2-CZ 4.39Å; V290-I471 HydrophobicContact CG1-CD1 4.35Å; V290-I471 HydrophobicContact CG1-CG1 4.31Å; V290-T472 HydrophobicContact CG1-CG2 4.04Å |
| 291 | Y | 79.8 | Confident | 83 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 153.9 | -177.2 | -60.8 | -82.1 | 0 | 0 | 0 | 113.3 | V264 P289 V293 T385 I390 | V264-Y291 HydrophobicContact CG2-CE1 4.04Å; P289-Y291 HydrophobicContact CG-CE1 4.02Å; P289-Y291 HydrophobicContact CG-CE2 4.02Å; P289-Y291 VanDerWaalsContact CG-OH 3.27Å; P289-Y291 WeakPolarHBondContact CG-OH 3.33Å; P289-Y291 VanDerWaalsContact O-CD2 3.29Å; P289-Y291 WeakPolarHBondContact O-CD2 3.47Å; P289-Y291 WeakPolarHBondContact O-CE2 3.45Å; P289-Y291 PolarHBondContact O-N 3.37Å; Y291-V293 VanDerWaalsContact C-N 3.25Å; Y291-V293 PolarHBondContact O-N 3.43Å; Y291-T385 HydrophobicContact CE2-CG2 3.77Å; Y291-T385 WeakPolarHBondContact OH-CB 3.46Å; Y291-I390 HydrophobicContact CD1-CB 3.91Å; Y291-I390 HydrophobicContact CD1-CG2 3.86Å; Y291-I390 HydrophobicContact CG-CG2 4.33Å |
| 292 | L | 78.9 | Confident | 83.3 | Confident | 54 Ų | 54 | 53.4 Ų | 53.4 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -80.4 | 71.8 | 174.5 | -169.3 | 75.2 | 0 | 0 | 0 | 111.1 | P391 T393 T472 T474 | L292-P391 HydrophobicContact CB-CG 4.36Å; L292-P391 WeakPolarHBondContact CB-O 3.36Å; L292-P391 HydrophobicContact CD2-CG 4.41Å; L292-P391 PolarHBondContact N-O 3.12Å; L292-T393 HydrophobicContact CB-CG2 4.45Å; L292-T393 HydrophobicContact CD1-CG2 4.19Å; L292-T472 WeakPolarHBondContact CD1-O 3.39Å; L292-T474 HydrophobicContact CD1-CG2 3.39Å; L292-T474 HydrophobicContact CD2-CG2 3.48Å; L292-T474 VanDerWaalsContact CD2-CG2 3.48Å; L292-T474 HydrophobicContact CG-CG2 4.1Å |
| 293 | V | 78.1 | Confident | 83.7 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | trans | -116.4 | 16.3 | -172 | -66.6 | 0 | 0 | 0 | 0 | 113.7 | Y291 N295 L296 M297 I390 T472 | Y291-V293 VanDerWaalsContact C-N 3.25Å; Y291-V293 PolarHBondContact O-N 3.43Å; V293-N295 VanDerWaalsContact C-N 3.31Å; V293-N295 PolarHBondContact O-N 2.85Å; V293-L296 HydrophobicContact CB-CB 4.31Å; V293-L296 HydrophobicContact CB-CD2 4.46Å; V293-L296 HydrophobicContact CG1-CD2 4.45Å; V293-L296 WeakPolarHBondContact O-CB 3.33Å; V293-L296 PolarHBondContact O-N 3.17Å; V293-M297 HydrophobicContact CG2-CG 4.24Å; V293-M297 HydrophobicContact CG2-SD 4.35Å; V293-M297 WeakPolarHBondContact O-CG 3.39Å; V293-M297 PolarHBondContact O-N 3.27Å; V293-I390 HydrophobicContact CG1-CG2 4.32Å; V293-T472 HydrophobicContact CG2-CG2 4.02Å | ||
| 294 | R | 83.3 | Confident | 83.7 | Confident | 49 Ų | 49 | 50.7 Ų | 50.7 | 19% | 0.185 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -51.1 | -47.8 | -179.3 | 179.5 | -178.5 | 174.2 | 129.2 | 5.6 | 113.2 | L296 M297 E298 L469 T472 | R294-L296 VanDerWaalsContact C-N 3.3Å; R294-L296 PolarHBondContact O-N 3.4Å; R294-M297 WeakPolarHBondContact O-CB 3.29Å; R294-M297 PolarHBondContact O-N 2.94Å; R294-E298 HydrophobicContact CG-CG 4.46Å; R294-E298 IonicContact CZ-OE1 2.83Å; R294-E298 VanDerWaalsContact CZ-OE1 3.32Å; R294-E298 IonicContact NE-OE1 3.39Å; R294-E298 PolarHBondContact NE-OE1 2.85Å; R294-E298 IonicContact NH2-OE1 3.98Å; R294-E298 PolarHBondContact NH2-OE1 2.97Å; R294-E298 WeakPolarHBondContact O-CG 3.39Å; R294-E298 PolarHBondContact O-N 2.91Å; R294-L469 WeakPolarHBondContact CD-O 3.5Å; R294-L469 PolarHBondContact NH1-O 2.91Å; R294-L469 VanDerWaalsContact NH1-O 3.07Å; R294-T472 WeakPolarHBondContact CB-O 3.49Å; R294-T472 PolarHBondContact N-O 2.62Å |
| 295 | N | 82.8 | Confident | 83.8 | Confident | 105 Ų | 105 | 50 Ų | 50 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63 | -39.4 | -179 | -65.4 | -1.8 | 0 | 0 | 0 | 111.4 | V293 E298 L299 | V293-N295 VanDerWaalsContact C-N 3.31Å; V293-N295 PolarHBondContact O-N 2.85Å; N295-E298 PolarHBondContact O-N 3.08Å; N295-L299 VanDerWaalsContact O-CG 3.31Å; N295-L299 WeakPolarHBondContact O-CG 3.25Å; N295-L299 PolarHBondContact O-N 2.83Å |
| 296 | L | 81.9 | Confident | 83.8 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -43.4 | 174.6 | 177.1 | 65.1 | 0 | 0 | 0 | 111.1 | V293 R294 E298 L299 E300 I360 F363 Y364 | V293-L296 HydrophobicContact CB-CB 4.31Å; V293-L296 HydrophobicContact CB-CD2 4.46Å; V293-L296 HydrophobicContact CG1-CD2 4.45Å; V293-L296 WeakPolarHBondContact O-CB 3.33Å; V293-L296 PolarHBondContact O-N 3.17Å; R294-L296 VanDerWaalsContact C-N 3.3Å; R294-L296 PolarHBondContact O-N 3.4Å; L296-E298 VanDerWaalsContact C-N 3.34Å; L296-E298 PolarHBondContact O-N 3.31Å; L296-L299 PolarHBondContact O-N 2.82Å; L296-E300 HydrophobicContact CD1-CG 4.3Å; L296-E300 HydrophobicContact CG-CG 4.45Å; L296-E300 WeakPolarHBondContact O-CG 3.21Å; L296-E300 PolarHBondContact O-N 3.39Å; L296-I360 HydrophobicContact CD1-CG1 4.35Å; L296-I360 HydrophobicContact CD1-CG2 4.11Å; L296-F363 HydrophobicContact CB-CD1 3.99Å; L296-F363 HydrophobicContact CB-CE1 3.84Å; L296-F363 HydrophobicContact CB-CG 4.47Å; L296-F363 HydrophobicContact CB-CZ 4.18Å; L296-F363 HydrophobicContact CD1-CD1 4.08Å; L296-F363 HydrophobicContact CD1-CG 4.46Å; L296-F363 HydrophobicContact CD2-CD1 4.01Å; L296-F363 HydrophobicContact CD2-CE1 3.98Å; L296-F363 HydrophobicContact CG-CD1 4.25Å; L296-F363 HydrophobicContact CG-CE1 4.39Å; L296-Y364 HydrophobicContact CD1-CE1 4.13Å; L296-Y364 HydrophobicContact CD2-CE1 3.68Å |
| 297 | M | 81.8 | Confident | 83.9 | Confident | 53 Ų | 53 | 46 Ų | 46 | 26% | 0.261 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.5 | -41 | 176.2 | -67.6 | -176.8 | 71.5 | 0 | 0 | 112.3 | V293 R294 L299 Q301 W468 L469 T472 | V293-M297 HydrophobicContact CG2-CG 4.24Å; V293-M297 HydrophobicContact CG2-SD 4.35Å; V293-M297 WeakPolarHBondContact O-CG 3.39Å; V293-M297 PolarHBondContact O-N 3.27Å; R294-M297 WeakPolarHBondContact O-CB 3.29Å; R294-M297 PolarHBondContact O-N 2.94Å; M297-L299 VanDerWaalsContact C-N 3.33Å; M297-Q301 VanDerWaalsContact O-CB 3.28Å; M297-Q301 WeakPolarHBondContact O-CB 3.38Å; M297-Q301 PolarHBondContact O-N 2.81Å; M297-W468 HydrophobicContact CE-CB 4.07Å; M297-L469 HydrophobicContact CB-CD2 4.04Å; M297-L469 HydrophobicContact CE-CD2 4.36Å; M297-T472 HydrophobicContact SD-CG2 3.87Å |
| 298 | E | 86 | Confident | 83.9 | Confident | 79 Ų | 79 | 48.4 Ų | 48.4 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.6 | -36.1 | 176.3 | -72.3 | 175.4 | 175.8 | 0 | 0 | 111.3 | R294 N295 L296 A302 L469 | R294-E298 HydrophobicContact CG-CG 4.46Å; R294-E298 IonicContact CZ-OE1 2.83Å; R294-E298 VanDerWaalsContact CZ-OE1 3.32Å; R294-E298 IonicContact NE-OE1 3.39Å; R294-E298 PolarHBondContact NE-OE1 2.85Å; R294-E298 IonicContact NH2-OE1 3.98Å; R294-E298 PolarHBondContact NH2-OE1 2.97Å; R294-E298 WeakPolarHBondContact O-CG 3.39Å; R294-E298 PolarHBondContact O-N 2.91Å; N295-E298 PolarHBondContact O-N 3.08Å; L296-E298 VanDerWaalsContact C-N 3.34Å; L296-E298 PolarHBondContact O-N 3.31Å; E298-A302 WeakPolarHBondContact O-CB 3.07Å; E298-A302 PolarHBondContact O-N 3.43Å; E298-L469 HydrophobicContact CG-CD2 4.21Å |
| 299 | L | 86.3 | Confident | 84.1 | Confident | 38 Ų | 38 | 45.1 Ų | 45.1 | 20% | 0.199 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.2 | -45.5 | 174.3 | -71.7 | 171.7 | 0 | 0 | 0 | 112.9 | N295 L296 M297 Q301 A302 K303 L356 Q359 I360 | N295-L299 VanDerWaalsContact O-CG 3.31Å; N295-L299 WeakPolarHBondContact O-CG 3.25Å; N295-L299 PolarHBondContact O-N 2.83Å; L296-L299 PolarHBondContact O-N 2.82Å; M297-L299 VanDerWaalsContact C-N 3.33Å; L299-Q301 VanDerWaalsContact C-N 3.29Å; L299-Q301 PolarHBondContact O-N 2.69Å; L299-A302 PolarHBondContact O-N 3.2Å; L299-K303 WeakPolarHBondContact O-CB 3.21Å; L299-K303 PolarHBondContact O-N 2.72Å; L299-L356 HydrophobicContact CD2-CD2 4.01Å; L299-Q359 HydrophobicContact CD1-CB 4.31Å; L299-Q359 VanDerWaalsContact CD2-OE1 3.3Å; L299-I360 HydrophobicContact CB-CD1 4.37Å; L299-I360 HydrophobicContact CB-CG1 3.93Å; L299-I360 HydrophobicContact CD1-CG1 4.47Å |
| 300 | E | 84.1 | Confident | 84.4 | Confident | 67 Ų | 67 | 46 Ų | 46 | 31% | 0.313 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.3 | -38.9 | 175.7 | -73.3 | -69.2 | 176.2 | 0 | 0 | 111.3 | L296 K303 A304 I360 Y364 | L296-E300 HydrophobicContact CD1-CG 4.3Å; L296-E300 HydrophobicContact CG-CG 4.45Å; L296-E300 WeakPolarHBondContact O-CG 3.21Å; L296-E300 PolarHBondContact O-N 3.39Å; E300-K303 WeakPolarHBondContact O-CB 3.41Å; E300-K303 PolarHBondContact O-N 2.72Å; E300-A304 PolarHBondContact O-N 2.94Å; E300-I360 HydrophobicContact CG-CD1 4.47Å; E300-Y364 PolarHBondContact OE1-OH 3.4Å |
| 301 | Q | 84.3 | Confident | 84.9 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 28% | 0.28 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 173.6 | -176.2 | 177.4 | -20.6 | 0 | 0 | 111.2 | M297 L299 K303 A304 E305 Y733 | M297-Q301 VanDerWaalsContact O-CB 3.28Å; M297-Q301 WeakPolarHBondContact O-CB 3.38Å; M297-Q301 PolarHBondContact O-N 2.81Å; L299-Q301 VanDerWaalsContact C-N 3.29Å; L299-Q301 PolarHBondContact O-N 2.69Å; Q301-K303 VanDerWaalsContact C-N 3.29Å; Q301-K303 PolarHBondContact O-N 3.38Å; Q301-A304 PolarHBondContact O-N 3.48Å; Q301-E305 PolarHBondContact NE2-OE1 2.96Å; Q301-E305 WeakPolarHBondContact O-CG 3.49Å; Q301-E305 PolarHBondContact O-N 2.93Å; Q301-Y733 HydrophobicContact CG-CD2 3.98Å; Q301-Y733 HydrophobicContact CG-CE2 3.68Å |
| 302 | A | 86.9 | Confident | 85.2 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 30% | 0.298 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.9 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | E298 L299 T306 L356 | E298-A302 WeakPolarHBondContact O-CB 3.07Å; E298-A302 PolarHBondContact O-N 3.43Å; L299-A302 PolarHBondContact O-N 3.2Å; A302-T306 WeakPolarHBondContact O-CB 3.34Å; A302-T306 PolarHBondContact O-N 3.04Å; A302-T306 PolarHBondContact O-OG1 2.97Å; A302-L356 HydrophobicContact CB-CD1 4.41Å; A302-L356 HydrophobicContact CB-CD2 4.2Å |
| 303 | K | 88.6 | Confident | 85.6 | Confident | 41 Ų | 41 | 51.2 Ų | 51.2 | 18% | 0.178 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -53.3 | 174.2 | -175.4 | -176.9 | 177.2 | 177.6 | 0 | 111.1 | L299 E300 Q301 E305 T306 E307 L353 I360 | L299-K303 WeakPolarHBondContact O-CB 3.21Å; L299-K303 PolarHBondContact O-N 2.72Å; E300-K303 WeakPolarHBondContact O-CB 3.41Å; E300-K303 PolarHBondContact O-N 2.72Å; Q301-K303 VanDerWaalsContact C-N 3.29Å; Q301-K303 PolarHBondContact O-N 3.38Å; K303-E305 VanDerWaalsContact C-N 3.34Å; K303-E305 PolarHBondContact O-N 3.24Å; K303-T306 WeakPolarHBondContact O-CB 3.46Å; K303-T306 PolarHBondContact O-N 3.03Å; K303-T306 VanDerWaalsContact O-N 3.12Å; K303-E307 VanDerWaalsContact CE-OE1 3.25Å; K303-E307 WeakPolarHBondContact CE-OE1 3.41Å; K303-E307 WeakPolarHBondContact O-CG 3.41Å; K303-E307 PolarHBondContact O-N 3.31Å; K303-L353 HydrophobicContact CD-CD1 4.4Å; K303-L353 HydrophobicContact CG-CD1 3.6Å; K303-I360 HydrophobicContact CB-CD1 4.23Å; K303-I360 HydrophobicContact CD-CD1 3.84Å |
| 304 | A | 85.6 | Confident | 86.2 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E300 Q301 T306 E307 I308 | E300-A304 PolarHBondContact O-N 2.94Å; Q301-A304 PolarHBondContact O-N 3.48Å; A304-T306 VanDerWaalsContact C-N 3.35Å; A304-E307 PolarHBondContact O-N 3.48Å; A304-I308 WeakPolarHBondContact O-CG1 3.31Å; A304-I308 PolarHBondContact O-N 2.95Å |
| 305 | E | 85.3 | Confident | 86.4 | Confident | 38 Ų | 38 | 54.1 Ų | 54.1 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 174.9 | -71.6 | -176.7 | -169.1 | 0 | 0 | 111.3 | Q301 K303 I308 Y309 Y733 | Q301-E305 PolarHBondContact NE2-OE1 2.96Å; Q301-E305 WeakPolarHBondContact O-CG 3.49Å; Q301-E305 PolarHBondContact O-N 2.93Å; K303-E305 VanDerWaalsContact C-N 3.34Å; K303-E305 PolarHBondContact O-N 3.24Å; E305-I308 WeakPolarHBondContact O-CB 3.45Å; E305-I308 PolarHBondContact O-N 3.04Å; E305-Y309 HydrophobicContact CB-CE2 4.09Å; E305-Y309 WeakPolarHBondContact O-CD2 3.49Å; E305-Y309 WeakPolarHBondContact O-CE2 3.34Å; E305-Y309 VanDerWaalsContact O-CG 3.24Å; E305-Y309 PolarHBondContact O-N 3.42Å; E305-Y309 VanDerWaalsContact O-N 3.08Å; E305-Y733 HydrophobicContact CG-CE2 4.47Å; E305-Y733 PolarHBondContact OE1-OH 2.84Å |
| 306 | T | 86.6 | Confident | 86.5 | Confident | 13 Ų | 13 | 51.3 Ų | 51.3 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 177.6 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | A302 K303 A304 I308 Y309 L310 Y349 Q352 | A302-T306 WeakPolarHBondContact O-CB 3.34Å; A302-T306 PolarHBondContact O-N 3.04Å; A302-T306 PolarHBondContact O-OG1 2.97Å; K303-T306 WeakPolarHBondContact O-CB 3.46Å; K303-T306 PolarHBondContact O-N 3.03Å; K303-T306 VanDerWaalsContact O-N 3.12Å; A304-T306 VanDerWaalsContact C-N 3.35Å; T306-I308 VanDerWaalsContact C-N 3.32Å; T306-I308 PolarHBondContact O-N 3.29Å; T306-Y309 PolarHBondContact O-N 2.9Å; T306-L310 WeakPolarHBondContact O-CB 3.36Å; T306-L310 PolarHBondContact O-N 3.46Å; T306-Y349 HydrophobicContact CG2-CD1 4.05Å; T306-Q352 HydrophobicContact CG2-CB 4.24Å |
| 307 | E | 89 | Confident | 86.8 | Confident | 77 Ų | 77 | 53.1 Ų | 53.1 | 36% | 0.36 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 174.7 | -74.5 | 177.9 | -174.6 | 0 | 0 | 112.3 | K303 A304 L310 R311 L353 | K303-E307 VanDerWaalsContact CE-OE1 3.25Å; K303-E307 WeakPolarHBondContact CE-OE1 3.41Å; K303-E307 WeakPolarHBondContact O-CG 3.41Å; K303-E307 PolarHBondContact O-N 3.31Å; A304-E307 PolarHBondContact O-N 3.48Å; E307-L310 PolarHBondContact O-N 2.86Å; E307-R311 WeakPolarHBondContact O-CB 3.16Å; E307-R311 PolarHBondContact O-N 3.38Å; E307-L353 HydrophobicContact CG-CD1 3.82Å; E307-L353 HydrophobicContact CG-CD2 4.34Å |
| 308 | I | 86.4 | Confident | 87.2 | Confident | 80 Ų | 80 | 57.8 Ų | 57.8 | 41% | 0.41 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 174.2 | -66.1 | 164.2 | 0 | 0 | 0 | 110.1 | A304 E305 T306 R311 A312 I667 | A304-I308 WeakPolarHBondContact O-CG1 3.31Å; A304-I308 PolarHBondContact O-N 2.95Å; E305-I308 WeakPolarHBondContact O-CB 3.45Å; E305-I308 PolarHBondContact O-N 3.04Å; T306-I308 VanDerWaalsContact C-N 3.32Å; T306-I308 PolarHBondContact O-N 3.29Å; I308-R311 PolarHBondContact O-N 3.3Å; I308-A312 WeakPolarHBondContact O-CB 3.29Å; I308-A312 PolarHBondContact O-N 3.29Å; I308-I667 HydrophobicContact CG2-CD1 3.9Å |
| 309 | Y | 86.9 | Confident | 87.3 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 11% | 0.106 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 177 | -55.4 | -36.7 | 0 | 0 | 0 | 112.4 | E305 T306 S313 Y349 E664 I667 F668 | E305-Y309 HydrophobicContact CB-CE2 4.09Å; E305-Y309 WeakPolarHBondContact O-CD2 3.49Å; E305-Y309 WeakPolarHBondContact O-CE2 3.34Å; E305-Y309 VanDerWaalsContact O-CG 3.24Å; E305-Y309 PolarHBondContact O-N 3.42Å; E305-Y309 VanDerWaalsContact O-N 3.08Å; T306-Y309 PolarHBondContact O-N 2.9Å; Y309-S313 WeakPolarHBondContact O-CB 3.25Å; Y309-S313 PolarHBondContact O-N 2.78Å; Y309-S313 PolarHBondContact O-OG 2.88Å; Y309-Y349 HydrophobicContact CD2-CE1 4.25Å; Y309-Y349 HydrophobicContact CG-CE1 4.41Å; Y309-E664 HydrophobicContact CD1-CG 3.55Å; Y309-E664 HydrophobicContact CD2-CG 4.35Å; Y309-E664 HydrophobicContact CE1-CG 3.98Å; Y309-E664 HydrophobicContact CG-CG 3.78Å; Y309-I667 HydrophobicContact CD1-CD1 3.72Å; Y309-I667 HydrophobicContact CE1-CD1 4.3Å; Y309-F668 HydrophobicContact CE1-CE1 4.09Å; Y309-F668 HydrophobicContact CE1-CZ 4.2Å |
| 310 | L | 89.9 | Confident | 87.3 | Confident | 28 Ų | 28 | 61.2 Ų | 61.2 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.1 | -49.4 | 174.9 | 177.6 | 60.8 | 0 | 0 | 0 | 111 | T306 E307 A312 S313 V314 I346 K350 L353 | T306-L310 WeakPolarHBondContact O-CB 3.36Å; T306-L310 PolarHBondContact O-N 3.46Å; E307-L310 PolarHBondContact O-N 2.86Å; L310-A312 VanDerWaalsContact C-N 3.33Å; L310-A312 PolarHBondContact O-N 3.49Å; L310-S313 PolarHBondContact O-N 3.3Å; L310-S313 VanDerWaalsContact O-N 3.15Å; L310-V314 HydrophobicContact CD1-CG2 4.33Å; L310-V314 WeakPolarHBondContact O-CG2 3.26Å; L310-V314 PolarHBondContact O-N 3.48Å; L310-I346 HydrophobicContact CD1-CB 4.47Å; L310-I346 HydrophobicContact CD1-CG2 4Å; L310-K350 HydrophobicContact CD1-CG 4.13Å; L310-K350 HydrophobicContact CD2-CG 4.19Å; L310-L353 HydrophobicContact CD2-CD2 4.46Å |
| 311 | R | 89.5 | Confident | 87.3 | Confident | 184 Ų | 184 | 61 Ų | 61 | 69% | 0.694 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.5 | -45.4 | 179 | -173.9 | -178.7 | -63.4 | 166.6 | 3.1 | 111.6 | E307 I308 S313 V314 E315 | E307-R311 WeakPolarHBondContact O-CB 3.16Å; E307-R311 PolarHBondContact O-N 3.38Å; I308-R311 PolarHBondContact O-N 3.3Å; R311-S313 VanDerWaalsContact C-N 3.32Å; R311-S313 PolarHBondContact O-N 3.16Å; R311-V314 PolarHBondContact O-N 3.25Å; R311-E315 WeakPolarHBondContact O-CB 3.45Å; R311-E315 PolarHBondContact O-N 2.88Å |
| 312 | A | 86.7 | Confident | 87.2 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.6 | -31.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | I308 L310 Q316 A663 I667 | I308-A312 WeakPolarHBondContact O-CB 3.29Å; I308-A312 PolarHBondContact O-N 3.29Å; L310-A312 VanDerWaalsContact C-N 3.33Å; L310-A312 PolarHBondContact O-N 3.49Å; A312-Q316 WeakPolarHBondContact O-CB 3.45Å; A312-Q316 PolarHBondContact O-N 3.4Å; A312-A663 HydrophobicContact CB-CB 4.02Å; A312-I667 HydrophobicContact CB-CD1 3.49Å; A312-I667 VanDerWaalsContact CB-CD1 3.49Å; A312-I667 HydrophobicContact CB-CG1 4.1Å |
| 313 | S | 87.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70 | -37.7 | 174.9 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | Y309 L310 R311 Q316 L317 Y349 | Y309-S313 WeakPolarHBondContact O-CB 3.25Å; Y309-S313 PolarHBondContact O-N 2.78Å; Y309-S313 PolarHBondContact O-OG 2.88Å; L310-S313 PolarHBondContact O-N 3.3Å; L310-S313 VanDerWaalsContact O-N 3.15Å; R311-S313 VanDerWaalsContact C-N 3.32Å; R311-S313 PolarHBondContact O-N 3.16Å; S313-Q316 PolarHBondContact O-N 2.84Å; S313-L317 PolarHBondContact O-N 3.28Å; S313-Y349 WeakPolarHBondContact OG-CE2 3.45Å |
| 314 | V | 90.8 | Very high | 86.9 | Confident | 50 Ų | 50 | 68.3 Ų | 68.3 | 30% | 0.303 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.3 | -46 | 172.9 | 174 | 0 | 0 | 0 | 0 | 110.7 | L310 R311 Q316 L317 E318 I346 | L310-V314 HydrophobicContact CD1-CG2 4.33Å; L310-V314 WeakPolarHBondContact O-CG2 3.26Å; L310-V314 PolarHBondContact O-N 3.48Å; R311-V314 PolarHBondContact O-N 3.25Å; V314-Q316 VanDerWaalsContact C-N 3.26Å; V314-Q316 PolarHBondContact O-N 3.49Å; V314-L317 WeakPolarHBondContact O-CB 3.19Å; V314-L317 PolarHBondContact O-N 3.01Å; V314-L317 VanDerWaalsContact O-N 3.1Å; V314-E318 HydrophobicContact CG1-CG 4.49Å; V314-E318 WeakPolarHBondContact O-CG 3.33Å; V314-E318 PolarHBondContact O-N 3.33Å; V314-I346 HydrophobicContact CG2-CD1 4.17Å; V314-I346 HydrophobicContact CG2-CG1 4.3Å |
| 315 | E | 88.1 | Confident | 86.8 | Confident | 87 Ų | 87 | 69.2 Ų | 69.2 | 41% | 0.407 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 175.1 | -171.5 | -168.2 | 149.8 | 0 | 0 | 111.4 | R311 E318 I319 K666 | R311-E315 WeakPolarHBondContact O-CB 3.45Å; R311-E315 PolarHBondContact O-N 2.88Å; E315-E318 PolarHBondContact O-N 3.5Å; E315-I319 HydrophobicContact CG-CD1 3.82Å; E315-I319 WeakPolarHBondContact O-CB 3.47Å; E315-I319 VanDerWaalsContact O-CG1 3.25Å; E315-I319 WeakPolarHBondContact O-CG1 2.94Å; E315-I319 PolarHBondContact O-N 3.42Å; E315-K666 IonicContact OE1-NZ 3.31Å |
| 316 | Q | 84.2 | Confident | 86.6 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 174.6 | -176.6 | -176.4 | -24.6 | 0 | 0 | 111.8 | A312 S313 V314 E318 I319 T320 A663 | A312-Q316 WeakPolarHBondContact O-CB 3.45Å; A312-Q316 PolarHBondContact O-N 3.4Å; S313-Q316 PolarHBondContact O-N 2.84Å; V314-Q316 VanDerWaalsContact C-N 3.26Å; V314-Q316 PolarHBondContact O-N 3.49Å; Q316-E318 VanDerWaalsContact C-N 3.31Å; Q316-E318 PolarHBondContact O-N 3.03Å; Q316-I319 PolarHBondContact O-N 3.14Å; Q316-T320 HydrophobicContact CG-CG2 4.3Å; Q316-T320 WeakPolarHBondContact O-CB 3.3Å; Q316-T320 PolarHBondContact O-N 3.24Å; Q316-T320 PolarHBondContact O-OG1 2.98Å; Q316-A663 VanDerWaalsContact OE1-N 3.14Å |
| 317 | L | 88.3 | Confident | 86.1 | Confident | 57 Ų | 57 | 71 Ų | 71 | 30% | 0.298 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 176.6 | 176.5 | 63.2 | 0 | 0 | 0 | 111.2 | S313 V314 G321 E322 Q323 I346 | S313-L317 PolarHBondContact O-N 3.28Å; V314-L317 WeakPolarHBondContact O-CB 3.19Å; V314-L317 PolarHBondContact O-N 3.01Å; V314-L317 VanDerWaalsContact O-N 3.1Å; L317-G321 WeakPolarHBondContact O-CA 3.16Å; L317-G321 PolarHBondContact O-N 3.26Å; L317-E322 VanDerWaalsContact CD1-O 3.29Å; L317-E322 WeakPolarHBondContact CD1-O 3.13Å; L317-Q323 HydrophobicContact CD1-CG 4.39Å; L317-I346 HydrophobicContact CB-CD1 4.26Å; L317-I346 HydrophobicContact CD2-CD1 3.67Å |
| 318 | E | 90.4 | Very high | 85 | Confident | 151 Ų | 151 | 73.4 Ų | 73.4 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.7 | -39.3 | 178.1 | -71.9 | 174.7 | -177.5 | 0 | 0 | 112.6 | V314 E315 Q316 | V314-E318 HydrophobicContact CG1-CG 4.49Å; V314-E318 WeakPolarHBondContact O-CG 3.33Å; V314-E318 PolarHBondContact O-N 3.33Å; E315-E318 PolarHBondContact O-N 3.5Å; Q316-E318 VanDerWaalsContact C-N 3.31Å; Q316-E318 PolarHBondContact O-N 3.03Å |
| 319 | I | 87.9 | Confident | 83.7 | Confident | 118 Ų | 118 | 74.6 Ų | 74.6 | 61% | 0.605 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -78.9 | -43.3 | -178.2 | -67.3 | 168.8 | 0 | 0 | 0 | 112 | E315 Q316 | E315-I319 HydrophobicContact CG-CD1 3.82Å; E315-I319 WeakPolarHBondContact O-CB 3.47Å; E315-I319 VanDerWaalsContact O-CG1 3.25Å; E315-I319 WeakPolarHBondContact O-CG1 2.94Å; E315-I319 PolarHBondContact O-N 3.42Å; Q316-I319 PolarHBondContact O-N 3.14Å |
| 320 | T | 86 | Confident | 81.7 | Confident | 72 Ų | 72 | 76.1 Ų | 76.1 | 44% | 0.442 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -95.4 | -22.9 | -172.1 | 61.6 | 0 | 0 | 0 | 0 | 113.3 | Q316 E322 | Q316-T320 HydrophobicContact CG-CG2 4.3Å; Q316-T320 WeakPolarHBondContact O-CB 3.3Å; Q316-T320 PolarHBondContact O-N 3.24Å; Q316-T320 PolarHBondContact O-OG1 2.98Å; T320-E322 PolarHBondContact O-N 2.87Å; T320-E322 PolarHBondContact OG1-N 3.36Å |
| 321 | G | 85 | Confident | 79.3 | Confident | 62 Ų | 62 | 79.5 Ų | 79.5 | 64% | 0.639 | 42% | 0.424 | S | S | * | . | trans | 71 | -5.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L317 | L317-G321 WeakPolarHBondContact O-CA 3.16Å; L317-G321 PolarHBondContact O-N 3.26Å | ||
| 322 | E | 83.2 | Confident | 77 | Confident | 142 Ų | 142 | 78 Ų | 78 | 66% | 0.664 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -92.2 | 138.4 | -179.7 | -66.5 | -176.9 | 170.5 | 0 | 0 | 110.9 | L317 T320 | L317-E322 VanDerWaalsContact CD1-O 3.29Å; L317-E322 WeakPolarHBondContact CD1-O 3.13Å; T320-E322 PolarHBondContact O-N 2.87Å; T320-E322 PolarHBondContact OG1-N 3.36Å |
| 323 | Q | 84.2 | Confident | 74.6 | Confident | 145 Ų | 145 | 82 Ų | 82 | 68% | 0.678 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 125.2 | 176.3 | -76 | -166.1 | -27.2 | 0 | 0 | 111.1 | L317 T325 | L317-Q323 HydrophobicContact CD1-CG 4.39Å; Q323-T325 PolarHBondContact O-N 3.07Å |
| 324 | P | 84.7 | Confident | 72 | Confident | 3 Ų | 3 | 89.6 Ų | 89.6 | 2% | 0.019 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 126 | -178.6 | 28.3 | -34.2 | 0 | 0 | 0 | 110.3 | A345 I346 | P324-A345 HydrophobicContact CB-CB 4.03Å; P324-A345 HydrophobicContact CG-CB 4.18Å; P324-A345 VanDerWaalsContact O-CB 3.26Å; P324-A345 WeakPolarHBondContact O-CB 3.34Å; P324-A345 PolarHBondContact O-N 3.38Å; P324-I346 HydrophobicContact CG-CD1 3.74Å; P324-I346 HydrophobicContact CG-CG1 3.75Å |
| 325 | T | 83.2 | Confident | 69.2 | Low | 55 Ų | 55 | 98.2 Ų | 98.2 | 34% | 0.337 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 139.6 | 179.6 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | Q323 D342 T661 | Q323-T325 PolarHBondContact O-N 3.07Å; T325-D342 HydrophobicContact CG2-CB 3.64Å; T325-T661 WeakPolarHBondContact O-CG2 3.03Å |
| 326 | Y | 80.5 | Confident | 66.6 | Low | 25 Ų | 25 | 105.8 Ų | 105.8 | 10% | 0.098 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 117.8 | 174.2 | -171.5 | -85.2 | 0 | 0 | 0 | 111.2 | N328 A343 A345 V348 Y349 H660 T661 | Y326-N328 HydrophobicContact CE1-CB 4.23Å; Y326-A343 WeakPolarHBondContact CB-O 3.28Å; Y326-A343 PolarHBondContact N-O 3.36Å; Y326-A345 HydrophobicContact CD2-CB 4.47Å; Y326-V348 HydrophobicContact CD1-CG1 4.04Å; Y326-V348 HydrophobicContact CD1-CG2 4.25Å; Y326-V348 HydrophobicContact CD2-CB 4.16Å; Y326-V348 HydrophobicContact CD2-CG1 3.85Å; Y326-V348 HydrophobicContact CE1-CG1 3.97Å; Y326-V348 HydrophobicContact CE2-CG1 3.79Å; Y326-V348 HydrophobicContact CG-CB 4.14Å; Y326-V348 HydrophobicContact CG-CG1 3.99Å; Y326-V348 HydrophobicContact CG-CG2 4.13Å; Y326-Y349 HydrophobicContact CD2-CE1 4.42Å; Y326-Y349 AromaticContact CE2-CE1 3.98Å; Y326-Y349 HydrophobicContact CE2-CE1 3.98Å; Y326-H660 HydrophobicContact CD2-CB 3.92Å; Y326-H660 HydrophobicContact CE1-CB 4.21Å; Y326-H660 HydrophobicContact CE2-CB 3.45Å; Y326-H660 VanDerWaalsContact CE2-CB 3.45Å; Y326-H660 AromaticContact CE2-CG 3.96Å; Y326-H660 HydrophobicContact CG-CB 4.46Å; Y326-H660 AromaticContact CZ-CG 3.65Å; Y326-T661 HydrophobicContact CD2-CG2 3.69Å; Y326-T661 HydrophobicContact CE2-CG2 4.47Å; Y326-T661 HydrophobicContact CG-CG2 4.39Å |
| 327 | H | 75.9 | Confident | 64.2 | Low | 65 Ų | 65 | 106.3 Ų | 106.3 | 30% | 0.301 | 56% | 0.559 | S | S | . | * | trans | -100.3 | 112.2 | 177 | -54.9 | -65.9 | 0 | 0 | 0 | 110.3 | F329 D342 H660 | H327-F329 PolarHBondContact O-N 3.06Å; H327-D342 IonicContact CE1-OD1 2.81Å; H327-D342 PolarHBondContact CE1-OD1 3.28Å; H327-D342 IonicContact CE1-OD2 3.43Å; H327-D342 PolarHBondContact CE1-OD2 3.11Å; H327-D342 IonicContact ND1-OD1 2.71Å; H327-D342 PolarHBondContact ND1-OD1 2.9Å; H327-D342 IonicContact ND1-OD2 3.36Å; H327-H660 PolarHBondContact N-O 3.38Å; H327-H660 PolarHBondContact O-ND1 3.22Å | ||
| 328 | N | 65.9 | Low | 61.5 | Low | 127 Ų | 127 | 112.2 Ų | 112.2 | 68% | 0.679 | 59% | 0.587 | S | S | * | * | trans | -79 | 110.3 | 175.8 | -169.8 | -5.1 | 0 | 0 | 0 | 110.4 | Y326 G330 | Y326-N328 HydrophobicContact CE1-CB 4.23Å; N328-G330 VanDerWaalsContact C-N 3.33Å; N328-G330 PolarHBondContact O-N 2.91Å | ||
| 329 | F | 59.1 | Low | 59 | Low | 104 Ų | 104 | 110.6 Ų | 110.6 | 46% | 0.456 | 59% | 0.593 | S | S | . | * | trans | -75.2 | 85.3 | 173.9 | -86.8 | -81.1 | 0 | 0 | 0 | 110.5 | H327 A659 | H327-F329 PolarHBondContact O-N 3.06Å; F329-A659 WeakPolarHBondContact CE2-O 3.41Å | ||
| 330 | G | 46.3 | Very low | 57 | Low | 59 Ų | 59 | 113.8 Ų | 113.8 | 61% | 0.608 | 60% | 0.603 | S | S | * | * | trans | -97.9 | -12.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N328 | N328-G330 VanDerWaalsContact C-N 3.33Å; N328-G330 PolarHBondContact O-N 2.91Å | ||
| 331 | T | 39.4 | Very low | 55.4 | Low | 100 Ų | 100 | 115.3 Ų | 115.3 | 61% | 0.613 | 62% | 0.616 | S | S | * | * | trans | -168.7 | 116 | -175 | 0.2 | 0 | 0 | 0 | 0 | 111 | C333 | T331-C333 PolarHBondContact O-N 3.48Š| ||
| 332 | I | 39.6 | Very low | 54.4 | Low | 153 Ų | 153 | 116.5 Ų | 116.5 | 79% | 0.785 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 12.2 | 174.4 | -72.8 | 165.8 | 0 | 0 | 0 | 112.6 | ||
| 333 | C | 36.5 | Very low | 54.1 | Low | 101 Ų | 101 | 111.7 Ų | 111.7 | 68% | 0.682 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.5 | 24.5 | -165.5 | -58.8 | 0 | 0 | 0 | 0 | 116.2 | T331 | T331-C333 PolarHBondContact O-N 3.48Š|
| 334 | H | 32.8 | Very low | 54.1 | Low | 160 Ų | 160 | 107.4 Ų | 107.4 | 74% | 0.741 | 57% | 0.574 | S | S | * | * | trans | -111 | 79.2 | 164.7 | -85.7 | -70.5 | 0 | 0 | 0 | 112.3 | R336 | H334-R336 PolarHBondContact O-N 3.49Š| ||
| 335 | R | 32 | Very low | 54.1 | Low | 231 Ų | 231 | 107.2 Ų | 107.2 | 87% | 0.872 | 57% | 0.573 | S | S | * | * | trans | -51.3 | 119.7 | 147.8 | -177.2 | -173.9 | -67.7 | -161.6 | -0.9 | 108.1 | ||||
| 336 | R | 33 | Very low | 54.4 | Low | 245 Ų | 245 | 105.4 Ų | 105.4 | 93% | 0.925 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 51.1 | 99.9 | 163.3 | -96 | 175.8 | 171.9 | 174.6 | -2.3 | 116 | H334 | H334-R336 PolarHBondContact O-N 3.49Š|
| 337 | G | 33.7 | Very low | 54.8 | Low | 58 Ų | 58 | 106.6 Ų | 106.6 | 60% | 0.598 | 58% | 0.576 | S | S | * | * | trans | 126.7 | 136 | 152.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 338 | M | 32.6 | Very low | 55.3 | Low | 180 Ų | 180 | 105 Ų | 105 | 89% | 0.887 | 57% | 0.571 | S | S | * | * | trans | 80.9 | 76.1 | 169.1 | -51.4 | -176.8 | 80.7 | 0 | 0 | 115.6 | K340 | M338-K340 PolarHBondContact O-N 3.24Š| ||
| 339 | S | 37.9 | Very low | 56.4 | Low | 118 Ų | 118 | 99 Ų | 99 | 83% | 0.825 | 54% | 0.539 | S | S | * | . | 22.3 | 72.2 | 114.2 | 174.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 340 | K | 45.5 | Very low | 58 | Low | 185 Ų | 185 | 99.4 Ų | 99.4 | 80% | 0.804 | 54% | 0.54 | S | S | * | . | trans | -77.7 | 112.8 | 134.9 | -84.6 | -178.6 | 176.1 | 176.6 | 0 | 103.6 | M338 D342 | M338-K340 PolarHBondContact O-N 3.24Å; K340-D342 PolarHBondContact O-N 3.14Å | ||
| 341 | S | 51.8 | Low | 60.2 | Low | 103 Ų | 103 | 103.7 Ų | 103.7 | 72% | 0.72 | 54% | 0.542 | S | S | * | . | trans | -37.9 | 115.7 | 172.5 | 52.1 | 0 | 0 | 0 | 0 | 108.3 | A343 | S341-A343 PolarHBondContact O-N 3.41Š| ||
| 342 | D | 64.1 | Low | 62.6 | Low | 88 Ų | 88 | 102.1 Ų | 102.1 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 118.5 | 175.3 | -72.9 | -33.7 | 0 | 0 | 0 | 107 | T325 H327 K340 | T325-D342 HydrophobicContact CG2-CB 3.64Å; H327-D342 IonicContact CE1-OD1 2.81Å; H327-D342 PolarHBondContact CE1-OD1 3.28Å; H327-D342 IonicContact CE1-OD2 3.43Å; H327-D342 PolarHBondContact CE1-OD2 3.11Å; H327-D342 IonicContact ND1-OD1 2.71Å; H327-D342 PolarHBondContact ND1-OD1 2.9Å; H327-D342 IonicContact ND1-OD2 3.36Å; K340-D342 PolarHBondContact O-N 3.14Å |
| 343 | A | 76.3 | Confident | 65.1 | Low | 41 Ų | 41 | 96.2 Ų | 96.2 | 34% | 0.339 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 149.5 | -179 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y326 S341 A345 V348 | Y326-A343 WeakPolarHBondContact CB-O 3.28Å; Y326-A343 PolarHBondContact N-O 3.36Å; S341-A343 PolarHBondContact O-N 3.41Å; A343-A345 PolarHBondContact O-N 3.44Å; A343-V348 HydrophobicContact CB-CG2 3.73Å |
| 344 | D | 85.7 | Confident | 67.8 | Low | 54 Ų | 54 | 96 Ų | 96 | 29% | 0.289 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 119 | 169.8 | 171.2 | 19.5 | 0 | 0 | 0 | 109.4 | I346 A347 V348 | D344-I346 VanDerWaalsContact C-N 3.29Å; D344-I346 PolarHBondContact O-N 2.89Å; D344-I346 PolarHBondContact OD1-N 3.08Å; D344-A347 HydrophobicContact CB-CB 4.02Å; D344-A347 PolarHBondContact O-N 3.3Å; D344-A347 PolarHBondContact OD2-N 3.43Å; D344-V348 WeakPolarHBondContact O-CG2 3.23Å; D344-V348 PolarHBondContact O-N 3.05Å |
| 345 | A | 85.3 | Confident | 70.6 | Confident | 0 Ų | 0 | 91.6 Ų | 91.6 | 0% | 0 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -60.7 | -38.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P324 Y326 A343 A347 V348 Y349 T661 | P324-A345 HydrophobicContact CB-CB 4.03Å; P324-A345 HydrophobicContact CG-CB 4.18Å; P324-A345 VanDerWaalsContact O-CB 3.26Å; P324-A345 WeakPolarHBondContact O-CB 3.34Å; P324-A345 PolarHBondContact O-N 3.38Å; Y326-A345 HydrophobicContact CD2-CB 4.47Å; A343-A345 PolarHBondContact O-N 3.44Å; A345-A347 VanDerWaalsContact C-N 3.34Å; A345-A347 PolarHBondContact O-N 3.03Å; A345-V348 PolarHBondContact O-N 3.35Å; A345-Y349 HydrophobicContact CB-CD2 4.28Å; A345-Y349 HydrophobicContact CB-CE2 3.98Å; A345-Y349 WeakPolarHBondContact O-CD2 3.3Å; A345-Y349 PolarHBondContact O-N 3.38Å; A345-T661 HydrophobicContact CB-CG2 3.59Å |
| 346 | I | 88 | Confident | 73.5 | Confident | 16 Ų | 16 | 81.6 Ų | 81.6 | 8% | 0.082 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64 | -45.3 | 179.7 | -67.3 | 167.5 | 0 | 0 | 0 | 109.3 | L310 V314 L317 P324 D344 V348 K350 | L310-I346 HydrophobicContact CD1-CB 4.47Å; L310-I346 HydrophobicContact CD1-CG2 4Å; V314-I346 HydrophobicContact CG2-CD1 4.17Å; V314-I346 HydrophobicContact CG2-CG1 4.3Å; L317-I346 HydrophobicContact CB-CD1 4.26Å; L317-I346 HydrophobicContact CD2-CD1 3.67Å; P324-I346 HydrophobicContact CG-CD1 3.74Å; P324-I346 HydrophobicContact CG-CG1 3.75Å; D344-I346 VanDerWaalsContact C-N 3.29Å; D344-I346 PolarHBondContact O-N 2.89Å; D344-I346 PolarHBondContact OD1-N 3.08Å; I346-V348 PolarHBondContact O-N 3.06Å; I346-K350 HydrophobicContact CG2-CD 4.06Å; I346-K350 WeakPolarHBondContact O-CB 3.37Å; I346-K350 VanDerWaalsContact O-CG 3.25Å; I346-K350 WeakPolarHBondContact O-CG 2.93Å; I346-K350 PolarHBondContact O-N 3.47Å |
| 347 | A | 89 | Confident | 76.2 | Confident | 51 Ų | 51 | 73.7 Ų | 73.7 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D344 A345 K351 | D344-A347 HydrophobicContact CB-CB 4.02Å; D344-A347 PolarHBondContact O-N 3.3Å; D344-A347 PolarHBondContact OD2-N 3.43Å; A345-A347 VanDerWaalsContact C-N 3.34Å; A345-A347 PolarHBondContact O-N 3.03Å; A347-K351 WeakPolarHBondContact O-CB 3.49Å; A347-K351 PolarHBondContact O-N 3.01Å |
| 348 | V | 87.4 | Confident | 78.8 | Confident | 32 Ų | 32 | 74.8 Ų | 74.8 | 19% | 0.194 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.2 | -49.3 | 177.9 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | Y326 A343 D344 A345 I346 K351 Q352 | Y326-V348 HydrophobicContact CD1-CG1 4.04Å; Y326-V348 HydrophobicContact CD1-CG2 4.25Å; Y326-V348 HydrophobicContact CD2-CB 4.16Å; Y326-V348 HydrophobicContact CD2-CG1 3.85Å; Y326-V348 HydrophobicContact CE1-CG1 3.97Å; Y326-V348 HydrophobicContact CE2-CG1 3.79Å; Y326-V348 HydrophobicContact CG-CB 4.14Å; Y326-V348 HydrophobicContact CG-CG1 3.99Å; Y326-V348 HydrophobicContact CG-CG2 4.13Å; A343-V348 HydrophobicContact CB-CG2 3.73Å; D344-V348 WeakPolarHBondContact O-CG2 3.23Å; D344-V348 PolarHBondContact O-N 3.05Å; A345-V348 PolarHBondContact O-N 3.35Å; I346-V348 PolarHBondContact O-N 3.06Å; V348-K351 PolarHBondContact O-N 3.37Å; V348-Q352 HydrophobicContact CG1-CG 4.45Å; V348-Q352 WeakPolarHBondContact O-CG 3.49Å; V348-Q352 PolarHBondContact O-N 3.2Å |
| 349 | Y | 89.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 179.8 | -68.7 | -54.8 | 0 | 0 | 0 | 112.3 | T306 Y309 S313 Y326 A345 K351 Q352 L353 T661 E664 | T306-Y349 HydrophobicContact CG2-CD1 4.05Å; Y309-Y349 HydrophobicContact CD2-CE1 4.25Å; Y309-Y349 HydrophobicContact CG-CE1 4.41Å; S313-Y349 WeakPolarHBondContact OG-CE2 3.45Å; Y326-Y349 HydrophobicContact CD2-CE1 4.42Å; Y326-Y349 AromaticContact CE2-CE1 3.98Å; Y326-Y349 HydrophobicContact CE2-CE1 3.98Å; A345-Y349 HydrophobicContact CB-CD2 4.28Å; A345-Y349 HydrophobicContact CB-CE2 3.98Å; A345-Y349 WeakPolarHBondContact O-CD2 3.3Å; A345-Y349 PolarHBondContact O-N 3.38Å; Y349-K351 VanDerWaalsContact C-N 3.33Å; Y349-K351 PolarHBondContact O-N 2.68Å; Y349-Q352 PolarHBondContact O-N 3.45Å; Y349-L353 WeakPolarHBondContact O-CB 3.31Å; Y349-L353 PolarHBondContact O-N 3.47Å; Y349-T661 HydrophobicContact CE2-CG2 3.79Å; Y349-T661 WeakPolarHBondContact OH-CG2 3.26Å; Y349-T661 PolarHBondContact OH-OG1 2.7Å; Y349-E664 WeakPolarHBondContact CE1-OE1 3.24Å; Y349-E664 VanDerWaalsContact CZ-OE1 3.3Å; Y349-E664 VanDerWaalsContact OH-CG 3.32Å; Y349-E664 WeakPolarHBondContact OH-CG 3.37Å; Y349-E664 PolarHBondContact OH-OE1 2.88Å |
| 350 | K | 92.7 | Very high | 83.7 | Confident | 112 Ų | 112 | 65.1 Ų | 65.1 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 172.2 | -76.9 | 176.8 | 178.2 | 179.7 | 0 | 111.1 | L310 I346 Q352 L353 D354 | L310-K350 HydrophobicContact CD1-CG 4.13Å; L310-K350 HydrophobicContact CD2-CG 4.19Å; I346-K350 HydrophobicContact CG2-CD 4.06Å; I346-K350 WeakPolarHBondContact O-CB 3.37Å; I346-K350 VanDerWaalsContact O-CG 3.25Å; I346-K350 WeakPolarHBondContact O-CG 2.93Å; I346-K350 PolarHBondContact O-N 3.47Å; K350-Q352 PolarHBondContact O-N 2.91Å; K350-L353 WeakPolarHBondContact O-CB 3.22Å; K350-L353 PolarHBondContact O-N 3.25Å; K350-D354 VanDerWaalsContact O-CG 3.29Å; K350-D354 PolarHBondContact O-N 2.88Å |
| 351 | K | 92.3 | Very high | 85.4 | Confident | 149 Ų | 149 | 60 Ų | 60 | 65% | 0.648 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63 | -39.4 | 176.2 | -175.2 | 176.7 | -179.9 | 176.4 | 0 | 112.8 | A347 V348 Y349 L353 D354 V355 | A347-K351 WeakPolarHBondContact O-CB 3.49Å; A347-K351 PolarHBondContact O-N 3.01Å; V348-K351 PolarHBondContact O-N 3.37Å; Y349-K351 VanDerWaalsContact C-N 3.33Å; Y349-K351 PolarHBondContact O-N 2.68Å; K351-L353 VanDerWaalsContact C-N 3.34Å; K351-D354 PolarHBondContact O-N 3.31Å; K351-V355 VanDerWaalsContact O-CG2 3.32Å; K351-V355 WeakPolarHBondContact O-CG2 3.45Å; K351-V355 PolarHBondContact O-N 3.31Å |
| 352 | Q | 90.2 | Very high | 86.8 | Confident | 68 Ų | 68 | 58.7 Ų | 58.7 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 174.9 | -75.7 | 178.3 | -17.4 | 0 | 0 | 111.4 | T306 V348 Y349 K350 V355 L356 | T306-Q352 HydrophobicContact CG2-CB 4.24Å; V348-Q352 HydrophobicContact CG1-CG 4.45Å; V348-Q352 WeakPolarHBondContact O-CG 3.49Å; V348-Q352 PolarHBondContact O-N 3.2Å; Y349-Q352 PolarHBondContact O-N 3.45Å; K350-Q352 PolarHBondContact O-N 2.91Å; Q352-V355 PolarHBondContact O-N 2.95Å; Q352-L356 WeakPolarHBondContact O-CB 3.41Å; Q352-L356 VanDerWaalsContact O-CG 3.31Å; Q352-L356 WeakPolarHBondContact O-CG 3.41Å; Q352-L356 PolarHBondContact O-N 3Å |
| 353 | L | 92.2 | Very high | 87.4 | Confident | 29 Ų | 29 | 56.9 Ų | 56.9 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 175.6 | -170 | 65.2 | 0 | 0 | 0 | 110.9 | K303 E307 L310 Y349 K350 K351 V355 L356 E357 | K303-L353 HydrophobicContact CD-CD1 4.4Å; K303-L353 HydrophobicContact CG-CD1 3.6Å; E307-L353 HydrophobicContact CG-CD1 3.82Å; E307-L353 HydrophobicContact CG-CD2 4.34Å; L310-L353 HydrophobicContact CD2-CD2 4.46Å; Y349-L353 WeakPolarHBondContact O-CB 3.31Å; Y349-L353 PolarHBondContact O-N 3.47Å; K350-L353 WeakPolarHBondContact O-CB 3.22Å; K350-L353 PolarHBondContact O-N 3.25Å; K351-L353 VanDerWaalsContact C-N 3.34Å; L353-V355 VanDerWaalsContact C-N 3.34Å; L353-V355 PolarHBondContact O-N 3.26Å; L353-L356 PolarHBondContact O-N 2.98Å; L353-E357 VanDerWaalsContact O-CB 3.27Å; L353-E357 WeakPolarHBondContact O-CB 3.35Å; L353-E357 PolarHBondContact O-N 3.49Å |
| 354 | D | 92.7 | Very high | 87.2 | Confident | 95 Ų | 95 | 57.4 Ų | 57.4 | 51% | 0.508 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 174.9 | -63.9 | -24.5 | 0 | 0 | 0 | 111.9 | K350 K351 T358 | K350-D354 VanDerWaalsContact O-CG 3.29Å; K350-D354 PolarHBondContact O-N 2.88Å; K351-D354 PolarHBondContact O-N 3.31Å; D354-T358 WeakPolarHBondContact O-CB 3.3Å; D354-T358 VanDerWaalsContact O-CG2 3.28Å; D354-T358 WeakPolarHBondContact O-CG2 3.36Å; D354-T358 PolarHBondContact O-N 3.4Å; D354-T358 PolarHBondContact O-OG1 2.94Å |
| 355 | V | 91.9 | Very high | 86.5 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 176.5 | 172 | 0 | 0 | 0 | 0 | 111.3 | K351 Q352 L353 T358 Q359 | K351-V355 VanDerWaalsContact O-CG2 3.32Å; K351-V355 WeakPolarHBondContact O-CG2 3.45Å; K351-V355 PolarHBondContact O-N 3.31Å; Q352-V355 PolarHBondContact O-N 2.95Å; L353-V355 VanDerWaalsContact C-N 3.34Å; L353-V355 PolarHBondContact O-N 3.26Å; V355-T358 WeakPolarHBondContact CA-OG1 3.47Å; V355-T358 PolarHBondContact O-N 2.99Å; V355-T358 PolarHBondContact O-OG1 3.45Å; V355-Q359 VanDerWaalsContact O-CG 3.31Å; V355-Q359 WeakPolarHBondContact O-CG 3.49Å; V355-Q359 PolarHBondContact O-N 3.29Å |
| 356 | L | 91.6 | Very high | 85.6 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66 | -43.7 | 177.5 | -73.6 | 168.6 | 0 | 0 | 0 | 111 | L299 A302 Q352 L353 Q359 I360 | L299-L356 HydrophobicContact CD2-CD2 4.01Å; A302-L356 HydrophobicContact CB-CD1 4.41Å; A302-L356 HydrophobicContact CB-CD2 4.2Å; Q352-L356 WeakPolarHBondContact O-CB 3.41Å; Q352-L356 VanDerWaalsContact O-CG 3.31Å; Q352-L356 WeakPolarHBondContact O-CG 3.41Å; Q352-L356 PolarHBondContact O-N 3Å; L353-L356 PolarHBondContact O-N 2.98Å; L356-Q359 PolarHBondContact O-N 3.42Å; L356-I360 WeakPolarHBondContact O-CB 3.45Å; L356-I360 WeakPolarHBondContact O-CD1 3.49Å; L356-I360 VanDerWaalsContact O-CG1 3.25Å; L356-I360 WeakPolarHBondContact O-CG1 3.3Å; L356-I360 PolarHBondContact O-N 2.83Å |
| 357 | E | 89.7 | Confident | 84.4 | Confident | 79 Ų | 79 | 64.5 Ų | 64.5 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 177 | -178.1 | 165 | -165.2 | 0 | 0 | 111.8 | L353 Q359 I360 N361 | L353-E357 VanDerWaalsContact O-CB 3.27Å; L353-E357 WeakPolarHBondContact O-CB 3.35Å; L353-E357 PolarHBondContact O-N 3.49Å; E357-Q359 PolarHBondContact O-N 3.32Å; E357-I360 PolarHBondContact O-N 2.96Å; E357-N361 VanDerWaalsContact O-CB 3.24Å; E357-N361 WeakPolarHBondContact O-CB 3.14Å; E357-N361 PolarHBondContact O-N 3.25Å; E357-N361 PolarHBondContact O-ND2 2.93Å |
| 358 | T | 88.2 | Confident | 82.9 | Confident | 80 Ų | 80 | 64.8 Ų | 64.8 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.9 | -38 | 173.6 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | D354 V355 T362 | D354-T358 WeakPolarHBondContact O-CB 3.3Å; D354-T358 VanDerWaalsContact O-CG2 3.28Å; D354-T358 WeakPolarHBondContact O-CG2 3.36Å; D354-T358 PolarHBondContact O-N 3.4Å; D354-T358 PolarHBondContact O-OG1 2.94Å; V355-T358 WeakPolarHBondContact CA-OG1 3.47Å; V355-T358 PolarHBondContact O-N 2.99Å; V355-T358 PolarHBondContact O-OG1 3.45Å; T358-T362 VanDerWaalsContact O-CB 3.29Å; T358-T362 WeakPolarHBondContact O-CB 3.47Å; T358-T362 PolarHBondContact O-N 2.98Å; T358-T362 PolarHBondContact O-OG1 3.07Å |
| 359 | Q | 88 | Confident | 81.3 | Confident | 91 Ų | 91 | 63.7 Ų | 63.7 | 43% | 0.425 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65 | -44 | 173.8 | -75.5 | 177.8 | -5.2 | 0 | 0 | 112.2 | L299 V355 L356 E357 T362 F363 | L299-Q359 HydrophobicContact CD1-CB 4.31Å; L299-Q359 VanDerWaalsContact CD2-OE1 3.3Å; V355-Q359 VanDerWaalsContact O-CG 3.31Å; V355-Q359 WeakPolarHBondContact O-CG 3.49Å; V355-Q359 PolarHBondContact O-N 3.29Å; L356-Q359 PolarHBondContact O-N 3.42Å; E357-Q359 PolarHBondContact O-N 3.32Å; Q359-T362 PolarHBondContact O-N 3.47Å; Q359-F363 PolarHBondContact O-N 3.5Å |
| 360 | I | 85.2 | Confident | 79.6 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 175.6 | -71.7 | 164.2 | 0 | 0 | 0 | 109.9 | L296 L299 E300 K303 L356 E357 T362 F363 Y364 | L296-I360 HydrophobicContact CD1-CG1 4.35Å; L296-I360 HydrophobicContact CD1-CG2 4.11Å; L299-I360 HydrophobicContact CB-CD1 4.37Å; L299-I360 HydrophobicContact CB-CG1 3.93Å; L299-I360 HydrophobicContact CD1-CG1 4.47Å; E300-I360 HydrophobicContact CG-CD1 4.47Å; K303-I360 HydrophobicContact CB-CD1 4.23Å; K303-I360 HydrophobicContact CD-CD1 3.84Å; L356-I360 WeakPolarHBondContact O-CB 3.45Å; L356-I360 WeakPolarHBondContact O-CD1 3.49Å; L356-I360 VanDerWaalsContact O-CG1 3.25Å; L356-I360 WeakPolarHBondContact O-CG1 3.3Å; L356-I360 PolarHBondContact O-N 2.83Å; E357-I360 PolarHBondContact O-N 2.96Å; I360-T362 VanDerWaalsContact C-N 3.27Å; I360-T362 PolarHBondContact O-N 3.17Å; I360-F363 WeakPolarHBondContact O-CB 3.21Å; I360-F363 PolarHBondContact O-N 3.13Å; I360-F363 VanDerWaalsContact O-N 3.12Å; I360-Y364 HydrophobicContact CG2-CD2 3.66Å; I360-Y364 HydrophobicContact CG2-CE2 3.22Å; I360-Y364 WeakPolarHBondContact O-CB 3.44Å; I360-Y364 WeakPolarHBondContact O-CD2 3.43Å; I360-Y364 PolarHBondContact O-N 2.77Å |
| 361 | N | 82.1 | Confident | 77.9 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 42% | 0.422 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.9 | -31.9 | 176.7 | -71.8 | -22.6 | 0 | 0 | 0 | 112.6 | E357 A365 | E357-N361 VanDerWaalsContact O-CB 3.24Å; E357-N361 WeakPolarHBondContact O-CB 3.14Å; E357-N361 PolarHBondContact O-N 3.25Å; E357-N361 PolarHBondContact O-ND2 2.93Å; N361-A365 WeakPolarHBondContact O-CB 3.37Å; N361-A365 PolarHBondContact O-N 3.14Å |
| 362 | T | 81.2 | Confident | 76.1 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 46% | 0.46 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.3 | -42.7 | 173.2 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | T358 Q359 I360 Y364 A365 I366 | T358-T362 VanDerWaalsContact O-CB 3.29Å; T358-T362 WeakPolarHBondContact O-CB 3.47Å; T358-T362 PolarHBondContact O-N 2.98Å; T358-T362 PolarHBondContact O-OG1 3.07Å; Q359-T362 PolarHBondContact O-N 3.47Å; I360-T362 VanDerWaalsContact C-N 3.27Å; I360-T362 PolarHBondContact O-N 3.17Å; T362-Y364 VanDerWaalsContact C-N 3.27Å; T362-Y364 PolarHBondContact O-N 3.41Å; T362-A365 PolarHBondContact O-N 3.04Å; T362-I366 HydrophobicContact CG2-CD1 3.84Å; T362-I366 HydrophobicContact CG2-CG1 4.33Å; T362-I366 VanDerWaalsContact O-CG1 3.29Å; T362-I366 WeakPolarHBondContact O-CG1 3.31Å; T362-I366 PolarHBondContact O-N 3.2Å |
| 363 | F | 76.4 | Confident | 74.5 | Confident | 50 Ų | 50 | 67.7 Ų | 67.7 | 22% | 0.219 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 174.9 | -170.5 | -85.8 | 0 | 0 | 0 | 110.8 | L296 Q359 I360 S367 | L296-F363 HydrophobicContact CB-CD1 3.99Å; L296-F363 HydrophobicContact CB-CE1 3.84Å; L296-F363 HydrophobicContact CB-CG 4.47Å; L296-F363 HydrophobicContact CB-CZ 4.18Å; L296-F363 HydrophobicContact CD1-CD1 4.08Å; L296-F363 HydrophobicContact CD1-CG 4.46Å; L296-F363 HydrophobicContact CD2-CD1 4.01Å; L296-F363 HydrophobicContact CD2-CE1 3.98Å; L296-F363 HydrophobicContact CG-CD1 4.25Å; L296-F363 HydrophobicContact CG-CE1 4.39Å; Q359-F363 PolarHBondContact O-N 3.5Å; I360-F363 WeakPolarHBondContact O-CB 3.21Å; I360-F363 PolarHBondContact O-N 3.13Å; I360-F363 VanDerWaalsContact O-N 3.12Å; F363-S367 WeakPolarHBondContact O-CB 3.43Å; F363-S367 PolarHBondContact O-N 3.22Å; F363-S367 VanDerWaalsContact O-N 3.09Å; F363-S367 PolarHBondContact O-OG 2.63Å |
| 364 | Y | 72.2 | Confident | 72.8 | Confident | 51 Ų | 51 | 71.3 Ų | 71.3 | 20% | 0.2 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59 | -55.3 | 169.8 | -70.7 | -30.8 | 0 | 0 | 0 | 110.9 | L296 E300 I360 T362 I366 S367 G368 L369 I372 | L296-Y364 HydrophobicContact CD1-CE1 4.13Å; L296-Y364 HydrophobicContact CD2-CE1 3.68Å; E300-Y364 PolarHBondContact OE1-OH 3.4Å; I360-Y364 HydrophobicContact CG2-CD2 3.66Å; I360-Y364 HydrophobicContact CG2-CE2 3.22Å; I360-Y364 WeakPolarHBondContact O-CB 3.44Å; I360-Y364 WeakPolarHBondContact O-CD2 3.43Å; I360-Y364 PolarHBondContact O-N 2.77Å; T362-Y364 VanDerWaalsContact C-N 3.27Å; T362-Y364 PolarHBondContact O-N 3.41Å; Y364-I366 PolarHBondContact O-N 3.04Å; Y364-S367 CarbonylContact O-C 3.51Å; Y364-S367 WeakPolarHBondContact O-CA 3.44Å; Y364-S367 WeakPolarHBondContact O-CB 3.37Å; Y364-S367 PolarHBondContact O-N 2.93Å; Y364-G368 PolarHBondContact O-N 3.33Å; Y364-L369 HydrophobicContact CD1-CD1 4.07Å; Y364-L369 HydrophobicContact CD1-CD2 3.54Å; Y364-L369 HydrophobicContact CD1-CG 4.33Å; Y364-L369 HydrophobicContact CD2-CD2 4.38Å; Y364-L369 HydrophobicContact CE1-CD2 4.19Å; Y364-L369 HydrophobicContact CG-CD2 3.64Å; Y364-L369 WeakPolarHBondContact O-CA 3.42Å; Y364-L369 WeakPolarHBondContact O-CB 3.27Å; Y364-L369 PolarHBondContact O-N 3.03Å; Y364-I372 HydrophobicContact CD2-CD1 4.01Å; Y364-I372 HydrophobicContact CE2-CD1 4.08Å; Y364-I372 HydrophobicContact CG-CD1 4.4Å |
| 365 | A | 70.3 | Confident | 70.9 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56 | -44.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N361 T362 S367 G368 | N361-A365 WeakPolarHBondContact O-CB 3.37Å; N361-A365 PolarHBondContact O-N 3.14Å; T362-A365 PolarHBondContact O-N 3.04Å; A365-S367 PolarHBondContact O-N 3.43Å; A365-G368 PolarHBondContact O-N 3.33Å |
| 366 | I | 67.1 | Low | 69.2 | Low | 143 Ų | 143 | 69.6 Ų | 69.6 | 73% | 0.733 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.8 | -34 | 175.5 | -66.8 | 167 | 0 | 0 | 0 | 111.2 | T362 Y364 G368 | T362-I366 HydrophobicContact CG2-CD1 3.84Å; T362-I366 HydrophobicContact CG2-CG1 4.33Å; T362-I366 VanDerWaalsContact O-CG1 3.29Å; T362-I366 WeakPolarHBondContact O-CG1 3.31Å; T362-I366 PolarHBondContact O-N 3.2Å; Y364-I366 PolarHBondContact O-N 3.04Å; I366-G368 PolarHBondContact O-N 2.6Å |
| 367 | S | 62.3 | Low | 67.7 | Low | 25 Ų | 25 | 77.2 Ų | 77.2 | 18% | 0.175 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 6 | 175 | -53.4 | 0 | 0 | 0 | 0 | 113.4 | F363 Y364 A365 | F363-S367 WeakPolarHBondContact O-CB 3.43Å; F363-S367 PolarHBondContact O-N 3.22Å; F363-S367 VanDerWaalsContact O-N 3.09Å; F363-S367 PolarHBondContact O-OG 2.63Å; Y364-S367 CarbonylContact O-C 3.51Å; Y364-S367 WeakPolarHBondContact O-CA 3.44Å; Y364-S367 WeakPolarHBondContact O-CB 3.37Å; Y364-S367 PolarHBondContact O-N 2.93Å; A365-S367 PolarHBondContact O-N 3.43Å |
| 368 | G | 57.8 | Low | 66.3 | Low | 56 Ų | 56 | 79 Ų | 79 | 58% | 0.577 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | 21.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y364 A365 I366 | Y364-G368 PolarHBondContact O-N 3.33Å; A365-G368 PolarHBondContact O-N 3.33Å; I366-G368 PolarHBondContact O-N 2.6Å |
| 369 | L | 54.3 | Low | 64.7 | Low | 9 Ų | 9 | 77.1 Ų | 77.1 | 5% | 0.047 | 41% | 0.41 | C | S | . | . | trans | -114.9 | 33 | -159.5 | -136.3 | 138.7 | 0 | 0 | 0 | 110.9 | Y364 N371 I372 F388 | Y364-L369 HydrophobicContact CD1-CD1 4.07Å; Y364-L369 HydrophobicContact CD1-CD2 3.54Å; Y364-L369 HydrophobicContact CD1-CG 4.33Å; Y364-L369 HydrophobicContact CD2-CD2 4.38Å; Y364-L369 HydrophobicContact CE1-CD2 4.19Å; Y364-L369 HydrophobicContact CG-CD2 3.64Å; Y364-L369 WeakPolarHBondContact O-CA 3.42Å; Y364-L369 WeakPolarHBondContact O-CB 3.27Å; Y364-L369 PolarHBondContact O-N 3.03Å; L369-N371 PolarHBondContact O-N 3.43Å; L369-I372 HydrophobicContact CD2-CD1 3.32Å; L369-I372 HydrophobicContact CD2-CG1 3.28Å; L369-I372 HydrophobicContact CG-CG1 4.41Å; L369-F388 HydrophobicContact CB-CE1 4.34Å; L369-F388 HydrophobicContact CD1-CD1 3.44Å; L369-F388 VanDerWaalsContact CD1-CD1 3.44Å; L369-F388 HydrophobicContact CD1-CD2 4.08Å; L369-F388 HydrophobicContact CD1-CE1 3.03Å; L369-F388 HydrophobicContact CD1-CE2 3.73Å; L369-F388 HydrophobicContact CD1-CG 3.98Å; L369-F388 HydrophobicContact CD1-CZ 3.16Å; L369-F388 HydrophobicContact CD2-CE1 4.28Å; L369-F388 HydrophobicContact CD2-CZ 4.06Å; L369-F388 HydrophobicContact CG-CD1 4.08Å; L369-F388 HydrophobicContact CG-CE1 3.29Å; L369-F388 HydrophobicContact CG-CZ 3.54Å | ||
| 370 | S | 53.3 | Low | 62.9 | Low | 89 Ų | 89 | 78.1 Ų | 78.1 | 62% | 0.622 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -66.3 | 124.1 | 171.2 | 58.4 | 0 | 0 | 0 | 0 | 108.9 | ||
| 371 | N | 56 | Low | 61.5 | Low | 110 Ų | 110 | 82.1 Ų | 82.1 | 59% | 0.588 | 47% | 0.467 | S | S | * | . | trans | 72.3 | 61.2 | 172.9 | -137.4 | 3.9 | 0 | 0 | 0 | 114.6 | L369 E373 F374 L375 | L369-N371 PolarHBondContact O-N 3.43Å; N371-E373 VanDerWaalsContact C-N 3.26Å; N371-E373 PolarHBondContact O-N 3.36Å; N371-F374 HydrophobicContact CB-CB 3.98Å; N371-F374 WeakPolarHBondContact O-CA 3.41Å; N371-F374 WeakPolarHBondContact O-CB 3.48Å; N371-F374 PolarHBondContact O-N 3.26Å; N371-L375 PolarHBondContact O-N 2.77Å | ||
| 372 | I | 55.6 | Low | 60 | Low | 51 Ų | 51 | 84.5 Ų | 84.5 | 26% | 0.262 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -48.6 | -45.7 | 178.1 | -60.8 | 177.8 | 0 | 0 | 0 | 112.2 | Y364 L369 F374 L375 I376 L384 | Y364-I372 HydrophobicContact CD2-CD1 4.01Å; Y364-I372 HydrophobicContact CE2-CD1 4.08Å; Y364-I372 HydrophobicContact CG-CD1 4.4Å; L369-I372 HydrophobicContact CD2-CD1 3.32Å; L369-I372 HydrophobicContact CD2-CG1 3.28Å; L369-I372 HydrophobicContact CG-CG1 4.41Å; I372-F374 VanDerWaalsContact C-N 3.3Å; I372-F374 PolarHBondContact O-N 3.45Å; I372-L375 PolarHBondContact O-N 3.27Å; I372-I376 HydrophobicContact CG2-CD1 3.59Å; I372-I376 HydrophobicContact CG2-CG1 4.13Å; I372-I376 WeakPolarHBondContact O-CB 3.31Å; I372-I376 VanDerWaalsContact O-CG1 3.25Å; I372-I376 WeakPolarHBondContact O-CG1 3.32Å; I372-I376 PolarHBondContact O-N 2.84Å; I372-L384 HydrophobicContact CG2-CD1 4.39Å; I372-L384 HydrophobicContact CG2-CD2 4.14Å |
| 373 | E | 56.8 | Low | 58.6 | Low | 164 Ų | 164 | 85.3 Ų | 85.3 | 77% | 0.766 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.7 | -42.7 | 178.5 | -84.7 | -172.7 | 151.9 | 0 | 0 | 111.9 | N371 I376 K377 | N371-E373 VanDerWaalsContact C-N 3.26Å; N371-E373 PolarHBondContact O-N 3.36Å; E373-I376 PolarHBondContact O-N 3.5Å; E373-K377 WeakPolarHBondContact O-CB 3.43Å; E373-K377 PolarHBondContact O-N 3.38Å |
| 374 | F | 56.5 | Low | 57.3 | Low | 105 Ų | 105 | 85.9 Ų | 85.9 | 46% | 0.461 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 176.1 | -176.8 | -98 | 0 | 0 | 0 | 111.2 | N371 I372 I376 K377 E378 | N371-F374 HydrophobicContact CB-CB 3.98Å; N371-F374 WeakPolarHBondContact O-CA 3.41Å; N371-F374 WeakPolarHBondContact O-CB 3.48Å; N371-F374 PolarHBondContact O-N 3.26Å; I372-F374 VanDerWaalsContact C-N 3.3Å; I372-F374 PolarHBondContact O-N 3.45Å; F374-I376 VanDerWaalsContact C-N 3.31Å; F374-I376 PolarHBondContact O-N 2.79Å; F374-K377 PolarHBondContact O-N 2.84Å; F374-K377 VanDerWaalsContact O-N 3.12Å; F374-E378 HydrophobicContact CE1-CB 4.43Å; F374-E378 HydrophobicContact CE1-CG 4.38Å; F374-E378 WeakPolarHBondContact CE1-OE1 3.41Å; F374-E378 WeakPolarHBondContact CE1-OE2 3.47Å; F374-E378 VanDerWaalsContact CZ-CD 3.46Å; F374-E378 HydrophobicContact CZ-CG 4.33Å; F374-E378 VanDerWaalsContact CZ-OE1 3.24Å; F374-E378 WeakPolarHBondContact CZ-OE1 3.45Å; F374-E378 VanDerWaalsContact O-CB 3.28Å; F374-E378 WeakPolarHBondContact O-CB 3.27Å; F374-E378 PolarHBondContact O-N 2.93Å |
| 375 | L | 53.2 | Low | 56.2 | Low | 30 Ų | 30 | 85.6 Ų | 85.6 | 16% | 0.157 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 176.9 | -72.3 | 176.4 | 0 | 0 | 0 | 112.7 | N371 I372 N379 L387 | N371-L375 PolarHBondContact O-N 2.77Å; I372-L375 PolarHBondContact O-N 3.27Å; L375-N379 WeakPolarHBondContact O-CB 3.45Å; L375-N379 PolarHBondContact O-N 2.87Å; L375-N379 VanDerWaalsContact O-N 3.07Å; L375-L387 HydrophobicContact CB-CD2 4.42Å; L375-L387 HydrophobicContact CD1-CD2 3.94Å; L375-L387 HydrophobicContact CD2-CD2 3.5Å; L375-L387 HydrophobicContact CG-CD2 4.16Å |
| 376 | I | 56.1 | Low | 55.3 | Low | 96 Ų | 96 | 86.2 Ų | 86.2 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65 | -44.8 | 174.2 | -70.2 | 171.7 | 0 | 0 | 0 | 110.6 | I372 E373 F374 N379 L384 | I372-I376 HydrophobicContact CG2-CD1 3.59Å; I372-I376 HydrophobicContact CG2-CG1 4.13Å; I372-I376 WeakPolarHBondContact O-CB 3.31Å; I372-I376 VanDerWaalsContact O-CG1 3.25Å; I372-I376 WeakPolarHBondContact O-CG1 3.32Å; I372-I376 PolarHBondContact O-N 2.84Å; E373-I376 PolarHBondContact O-N 3.5Å; F374-I376 VanDerWaalsContact C-N 3.31Å; F374-I376 PolarHBondContact O-N 2.79Å; I376-N379 CarbonylContact O-C 3.6Å; I376-L384 HydrophobicContact CD1-CD1 4.12Å; I376-L384 HydrophobicContact CG1-CD1 3.44Å; I376-L384 VanDerWaalsContact CG1-CD1 3.44Å |
| 377 | K | 58.9 | Low | 54.3 | Low | 182 Ų | 182 | 82.5 Ų | 82.5 | 79% | 0.791 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.2 | -38.4 | -178.7 | -134.4 | 175.7 | -174.6 | 175.7 | 0 | 112.3 | E373 F374 | E373-K377 WeakPolarHBondContact O-CB 3.43Å; E373-K377 PolarHBondContact O-N 3.38Å; F374-K377 PolarHBondContact O-N 2.84Å; F374-K377 VanDerWaalsContact O-N 3.12Å |
| 378 | E | 60.5 | Low | 53.9 | Low | 118 Ų | 118 | 82.1 Ų | 82.1 | 55% | 0.551 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -82 | -25.2 | -175.7 | -150.3 | 179.3 | -148 | 0 | 0 | 112.3 | F374 P380 | F374-E378 HydrophobicContact CE1-CB 4.43Å; F374-E378 HydrophobicContact CE1-CG 4.38Å; F374-E378 WeakPolarHBondContact CE1-OE1 3.41Å; F374-E378 WeakPolarHBondContact CE1-OE2 3.47Å; F374-E378 VanDerWaalsContact CZ-CD 3.46Å; F374-E378 HydrophobicContact CZ-CG 4.33Å; F374-E378 VanDerWaalsContact CZ-OE1 3.24Å; F374-E378 WeakPolarHBondContact CZ-OE1 3.45Å; F374-E378 VanDerWaalsContact O-CB 3.28Å; F374-E378 WeakPolarHBondContact O-CB 3.27Å; F374-E378 PolarHBondContact O-N 2.93Å; E378-P380 VanDerWaalsContact C-CD 3.42Å; E378-P380 WeakPolarHBondContact O-CD 3.33Å |
| 379 | N | 54.4 | Low | 54 | Low | 39 Ų | 39 | 86 Ų | 86 | 21% | 0.209 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -121.6 | 66.3 | 176.8 | -66.9 | -85.9 | 0 | 0 | 0 | 112.5 | L375 I376 G381 K382 | L375-N379 WeakPolarHBondContact O-CB 3.45Å; L375-N379 PolarHBondContact O-N 2.87Å; L375-N379 VanDerWaalsContact O-N 3.07Å; I376-N379 CarbonylContact O-C 3.6Å; N379-G381 PolarHBondContact O-N 3.38Å; N379-G381 VanDerWaalsContact O-N 3.13Å; N379-K382 HydrophobicContact CB-CB 4.24Å; N379-K382 HydrophobicContact CB-CD 4.15Å; N379-K382 HydrophobicContact CB-CG 4.41Å; N379-K382 PolarHBondContact O-N 3.46Å; N379-K382 PolarHBondContact OD1-NZ 3.34Å |
| 380 | P | 51.7 | Low | 54.6 | Low | 112 Ų | 112 | 86.5 Ų | 86.5 | 73% | 0.727 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 121 | 177 | 24.9 | -32.5 | 0 | 0 | 0 | 110.5 | E378 | E378-P380 VanDerWaalsContact C-CD 3.42Å; E378-P380 WeakPolarHBondContact O-CD 3.33Å |
| 381 | G | 54.2 | Low | 55.6 | Low | 88 Ų | 88 | 86 Ų | 86 | 91% | 0.907 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | -2 | 174 | 0 | 0 | 0 | 0 | 0 | 116.7 | N379 | N379-G381 PolarHBondContact O-N 3.38Å; N379-G381 VanDerWaalsContact O-N 3.13Å |
| 382 | K | 51.1 | Low | 56.6 | Low | 129 Ų | 129 | 81.1 Ų | 81.1 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -82.8 | 137.9 | 167.1 | -70.9 | -174.3 | -171.7 | 155.6 | 0 | 109.9 | N379 L384 | N379-K382 HydrophobicContact CB-CB 4.24Å; N379-K382 HydrophobicContact CB-CD 4.15Å; N379-K382 HydrophobicContact CB-CG 4.41Å; N379-K382 PolarHBondContact O-N 3.46Å; N379-K382 PolarHBondContact OD1-NZ 3.34Å; K382-L384 PolarHBondContact O-N 2.82Å |
| 383 | N | 51.3 | Low | 57.7 | Low | 93 Ų | 93 | 79.5 Ų | 79.5 | 50% | 0.497 | 43% | 0.427 | S | S | . | . | trans | -62.1 | 125.3 | 170.9 | -104.1 | -6.3 | 0 | 0 | 0 | 108.6 | T385 D386 | N383-T385 PolarHBondContact O-N 3.44Å; N383-D386 WeakPolarHBondContact O-CB 3.4Å; N383-D386 PolarHBondContact O-N 3.48Å | ||
| 384 | L | 49.5 | Very low | 58.7 | Low | 62 Ų | 62 | 71.9 Ų | 71.9 | 33% | 0.325 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -50.1 | -37.8 | 179.9 | -146.5 | 83.3 | 0 | 0 | 0 | 110.7 | I372 I376 K382 D386 L387 F388 | I372-L384 HydrophobicContact CG2-CD1 4.39Å; I372-L384 HydrophobicContact CG2-CD2 4.14Å; I376-L384 HydrophobicContact CD1-CD1 4.12Å; I376-L384 HydrophobicContact CG1-CD1 3.44Å; I376-L384 VanDerWaalsContact CG1-CD1 3.44Å; K382-L384 PolarHBondContact O-N 2.82Å; L384-D386 VanDerWaalsContact C-N 3.33Å; L384-D386 PolarHBondContact O-N 2.93Å; L384-L387 VanDerWaalsContact O-CB 3.26Å; L384-L387 WeakPolarHBondContact O-CB 3.27Å; L384-L387 PolarHBondContact O-N 3.27Å; L384-F388 HydrophobicContact CB-CE2 3.96Å; L384-F388 HydrophobicContact CB-CZ 3.97Å; L384-F388 HydrophobicContact CD2-CE2 3.87Å; L384-F388 HydrophobicContact CD2-CZ 3.48Å; L384-F388 VanDerWaalsContact CD2-CZ 3.48Å; L384-F388 HydrophobicContact CG-CE1 4.35Å; L384-F388 HydrophobicContact CG-CE2 3.85Å; L384-F388 HydrophobicContact CG-CZ 3.37Å; L384-F388 VanDerWaalsContact O-CD2 3.24Å; L384-F388 WeakPolarHBondContact O-CD2 3.1Å; L384-F388 WeakPolarHBondContact O-CE1 3.29Å; L384-F388 WeakPolarHBondContact O-CE2 3.48Å; L384-F388 WeakPolarHBondContact O-CG 3.38Å; L384-F388 WeakPolarHBondContact O-CZ 3.27Å |
| 385 | T | 49.3 | Very low | 59.7 | Low | 44 Ų | 44 | 66.9 Ų | 66.9 | 27% | 0.27 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -63.3 | -27.7 | 178.6 | 49.3 | 0 | 0 | 0 | 0 | 115.8 | Y291 N383 L387 F388 | Y291-T385 HydrophobicContact CE2-CG2 3.77Å; Y291-T385 WeakPolarHBondContact OH-CB 3.46Å; N383-T385 PolarHBondContact O-N 3.44Å; T385-L387 PolarHBondContact O-N 2.8Å; T385-F388 HydrophobicContact CG2-CD2 4.37Å; T385-F388 PolarHBondContact O-N 3.24Å |
| 386 | D | 50.8 | Low | 61.1 | Low | 65 Ų | 65 | 65.4 Ų | 65.4 | 35% | 0.348 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -73.7 | -17.9 | 173.6 | -70.2 | -28.3 | 0 | 0 | 0 | 111.3 | K265 N383 L384 F388 | K265-D386 WeakPolarHBondContact CE-O 3.17Å; K265-D386 PolarHBondContact NZ-O 3.48Å; N383-D386 WeakPolarHBondContact O-CB 3.4Å; N383-D386 PolarHBondContact O-N 3.48Å; L384-D386 VanDerWaalsContact C-N 3.33Å; L384-D386 PolarHBondContact O-N 2.93Å; D386-F388 PolarHBondContact O-N 3.39Å |
| 387 | L | 47.5 | Very low | 62.6 | Low | 65 Ų | 65 | 61.8 Ų | 61.8 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -77.3 | -12.8 | 174.7 | -126.8 | 85.8 | 0 | 0 | 0 | 112.6 | L375 L384 T385 | L375-L387 HydrophobicContact CB-CD2 4.42Å; L375-L387 HydrophobicContact CD1-CD2 3.94Å; L375-L387 HydrophobicContact CD2-CD2 3.5Å; L375-L387 HydrophobicContact CG-CD2 4.16Å; L384-L387 VanDerWaalsContact O-CB 3.26Å; L384-L387 WeakPolarHBondContact O-CB 3.27Å; L384-L387 PolarHBondContact O-N 3.27Å; T385-L387 PolarHBondContact O-N 2.8Å |
| 388 | F | 53.2 | Low | 63.8 | Low | 18 Ų | 18 | 53.1 Ų | 53.1 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | trans | -103.7 | 128.6 | -164.2 | -55.7 | -32.7 | 0 | 0 | 0 | 114 | L369 L384 T385 D386 I390 | L369-F388 HydrophobicContact CB-CE1 4.34Å; L369-F388 HydrophobicContact CD1-CD1 3.44Å; L369-F388 VanDerWaalsContact CD1-CD1 3.44Å; L369-F388 HydrophobicContact CD1-CD2 4.08Å; L369-F388 HydrophobicContact CD1-CE1 3.03Å; L369-F388 HydrophobicContact CD1-CE2 3.73Å; L369-F388 HydrophobicContact CD1-CG 3.98Å; L369-F388 HydrophobicContact CD1-CZ 3.16Å; L369-F388 HydrophobicContact CD2-CE1 4.28Å; L369-F388 HydrophobicContact CD2-CZ 4.06Å; L369-F388 HydrophobicContact CG-CD1 4.08Å; L369-F388 HydrophobicContact CG-CE1 3.29Å; L369-F388 HydrophobicContact CG-CZ 3.54Å; L384-F388 HydrophobicContact CB-CE2 3.96Å; L384-F388 HydrophobicContact CB-CZ 3.97Å; L384-F388 HydrophobicContact CD2-CE2 3.87Å; L384-F388 HydrophobicContact CD2-CZ 3.48Å; L384-F388 VanDerWaalsContact CD2-CZ 3.48Å; L384-F388 HydrophobicContact CG-CE1 4.35Å; L384-F388 HydrophobicContact CG-CE2 3.85Å; L384-F388 HydrophobicContact CG-CZ 3.37Å; L384-F388 VanDerWaalsContact O-CD2 3.24Å; L384-F388 WeakPolarHBondContact O-CD2 3.1Å; L384-F388 WeakPolarHBondContact O-CE1 3.29Å; L384-F388 WeakPolarHBondContact O-CE2 3.48Å; L384-F388 WeakPolarHBondContact O-CG 3.38Å; L384-F388 WeakPolarHBondContact O-CZ 3.27Å; T385-F388 HydrophobicContact CG2-CD2 4.37Å; T385-F388 PolarHBondContact O-N 3.24Å; D386-F388 PolarHBondContact O-N 3.39Å; F388-I390 HydrophobicContact CB-CB 4.44Å; F388-I390 HydrophobicContact CB-CD1 3.91Å; F388-I390 HydrophobicContact CB-CG1 3.97Å; F388-I390 HydrophobicContact CD2-CD1 4.01Å; F388-I390 HydrophobicContact CG-CD1 4.1Å; F388-I390 PolarHBondContact O-N 3.03Å | ||
| 389 | D | 59.7 | Low | 65.1 | Low | 136 Ų | 136 | 47.5 Ų | 47.5 | 73% | 0.727 | 28% | 0.279 | S | S | * | . | trans | -84.3 | 36.2 | 164.7 | -81.9 | -24.3 | 0 | 0 | 0 | 111.5 | ||||
| 390 | I | 67.4 | Low | 66.6 | Low | 20 Ų | 20 | 45.6 Ų | 45.6 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 126.4 | 173.2 | -64.2 | 163.8 | 0 | 0 | 0 | 108 | Y291 V293 F388 H392 | Y291-I390 HydrophobicContact CD1-CB 3.91Å; Y291-I390 HydrophobicContact CD1-CG2 3.86Å; Y291-I390 HydrophobicContact CG-CG2 4.33Å; V293-I390 HydrophobicContact CG1-CG2 4.32Å; F388-I390 HydrophobicContact CB-CB 4.44Å; F388-I390 HydrophobicContact CB-CD1 3.91Å; F388-I390 HydrophobicContact CB-CG1 3.97Å; F388-I390 HydrophobicContact CD2-CD1 4.01Å; F388-I390 HydrophobicContact CG-CD1 4.1Å; F388-I390 PolarHBondContact O-N 3.03Å; I390-H392 PolarHBondContact O-N 3.38Å |
| 391 | P | 74 | Confident | 68.1 | Low | 78 Ų | 78 | 43.7 Ų | 43.7 | 51% | 0.506 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 134.6 | 178.1 | 25.3 | -33.5 | 0 | 0 | 0 | 110.5 | L292 | L292-P391 HydrophobicContact CB-CG 4.36Å; L292-P391 WeakPolarHBondContact CB-O 3.36Å; L292-P391 HydrophobicContact CD2-CG 4.41Å; L292-P391 PolarHBondContact N-O 3.12Å |
| 392 | H | 78 | Confident | 69.1 | Low | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 156.3 | 173.4 | 65.8 | 58.2 | 0 | 0 | 0 | 111.4 | P259 T262 P289 I390 G394 | P259-H392 PolarHBondContact O-CE1 3.43Å; T262-H392 PolarHBondContact O-NE2 2.84Å; P289-H392 HydrophobicContact CB-CB 4.03Å; I390-H392 PolarHBondContact O-N 3.38Å; H392-G394 PolarHBondContact ND1-N 3.02Å; H392-G394 VanDerWaalsContact ND1-N 3.15Å; H392-G394 PolarHBondContact O-N 2.93Å |
| 393 | T | 77.3 | Confident | 70 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 10% | 0.104 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -10.7 | -178.8 | 58 | 0 | 0 | 0 | 0 | 113.7 | V290 L292 I471 | V290-T393 WeakPolarHBondContact CB-OG1 3.3Å; V290-T393 HydrophobicContact CG1-CG2 4.24Å; V290-T393 WeakPolarHBondContact O-CB 3.33Å; V290-T393 WeakPolarHBondContact O-CG2 3.45Å; V290-T393 PolarHBondContact O-N 3.34Å; V290-T393 PolarHBondContact O-OG1 2.98Å; L292-T393 HydrophobicContact CB-CG2 4.45Å; L292-T393 HydrophobicContact CD1-CG2 4.19Å; T393-I471 VanDerWaalsContact CG2-O 3.27Å; T393-I471 WeakPolarHBondContact CG2-O 3.44Å |
| 394 | G | 77.2 | Confident | 70.7 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 90 | 10.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G257 V258 H392 | G257-G394 PolarHBondContact N-O 3.43Å; G257-G394 VanDerWaalsContact N-O 3.12Å; V258-G394 PolarHBondContact N-O 3.23Å; V258-G394 VanDerWaalsContact N-O 3.11Å; V258-G394 WeakPolarHBondContact O-CA 3.27Å; H392-G394 PolarHBondContact ND1-N 3.02Å; H392-G394 VanDerWaalsContact ND1-N 3.15Å; H392-G394 PolarHBondContact O-N 2.93Å |
| 395 | I | 79.5 | Confident | 71.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.5 | 172 | -59.7 | 172.3 | 0 | 0 | 0 | 108.5 | M254 L255 T256 V290 F397 I471 | M254-I395 HydrophobicContact CE-CD1 3.91Å; M254-I395 HydrophobicContact CE-CG1 4.31Å; M254-I395 HydrophobicContact CE-CG2 3.48Å; M254-I395 VanDerWaalsContact CE-CG2 3.48Å; M254-I395 HydrophobicContact CG-CG2 4.03Å; L255-I395 VanDerWaalsContact O-CA 3.31Å; L255-I395 WeakPolarHBondContact O-CA 3.38Å; T256-I395 HydrophobicContact CG2-CG1 4.39Å; V290-I395 HydrophobicContact CB-CB 4.14Å; V290-I395 HydrophobicContact CB-CG2 4.41Å; V290-I395 HydrophobicContact CG2-CB 4.06Å; V290-I395 HydrophobicContact CG2-CG2 3.77Å; V290-I395 PolarHBondContact N-O 3.3Å; I395-F397 HydrophobicContact CG2-CE2 4.38Å; I395-F397 HydrophobicContact CG2-CZ 4.35Å; I395-I471 HydrophobicContact CD1-CB 4.39Å |
| 396 | V | 82.3 | Confident | 72.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 131.8 | 177 | -176.9 | 0 | 0 | 0 | 0 | 110 | L255 V258 F267 I287 P289 I398 | L255-V396 HydrophobicContact CB-CB 4.32Å; L255-V396 PolarHBondContact N-O 3.36Å; L255-V396 PolarHBondContact O-N 2.6Å; V258-V396 HydrophobicContact CG2-CG2 3.98Å; F267-V396 HydrophobicContact CD1-CG2 4.3Å; F267-V396 HydrophobicContact CE1-CB 4.13Å; F267-V396 HydrophobicContact CE1-CG1 3.91Å; F267-V396 HydrophobicContact CE1-CG2 3.59Å; F267-V396 HydrophobicContact CZ-CB 4.35Å; F267-V396 HydrophobicContact CZ-CG1 4.5Å; F267-V396 HydrophobicContact CZ-CG2 3.86Å; I287-V396 HydrophobicContact CG2-CG1 3.65Å; P289-V396 HydrophobicContact CB-CG2 3.98Å; V396-I398 HydrophobicContact CG1-CG1 4.25Å |
| 397 | F | 86.7 | Confident | 73.4 | Confident | 19 Ų | 19 | 28.1 Ų | 28.1 | 8% | 0.083 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 136.7 | 171.6 | -66.6 | -69 | 0 | 0 | 0 | 110.5 | V252 L253 M254 W286 E288 V290 I395 A460 L466 W468 | V252-F397 HydrophobicContact CG1-CB 4.12Å; V252-F397 HydrophobicContact CG1-CD1 4.14Å; L253-F397 CarbonylContact O-C 2.99Å; L253-F397 VanDerWaalsContact O-CA 3.28Å; L253-F397 WeakPolarHBondContact O-CA 3.25Å; M254-F397 HydrophobicContact CB-CD1 3.98Å; M254-F397 HydrophobicContact CB-CE1 3.75Å; M254-F397 HydrophobicContact CE-CZ 4.32Å; M254-F397 HydrophobicContact CG-CD1 4.11Å; M254-F397 HydrophobicContact CG-CE1 3.58Å; M254-F397 HydrophobicContact CG-CZ 4.24Å; M254-F397 HydrophobicContact SD-CE1 4.12Å; M254-F397 HydrophobicContact SD-CZ 4.47Å; W286-F397 HydrophobicContact CH2-CB 4.17Å; W286-F397 HydrophobicContact CZ3-CB 3.7Å; E288-F397 PolarHBondContact N-O 3.44Å; E288-F397 PolarHBondContact O-N 3.35Å; V290-F397 HydrophobicContact CG2-CD2 3.63Å; V290-F397 HydrophobicContact CG2-CE2 3.34Å; V290-F397 HydrophobicContact CG2-CZ 4.39Å; I395-F397 HydrophobicContact CG2-CE2 4.38Å; I395-F397 HydrophobicContact CG2-CZ 4.35Å; F397-A460 HydrophobicContact CD1-CB 4.05Å; F397-A460 HydrophobicContact CE1-CB 4.08Å; F397-L466 HydrophobicContact CE1-CD1 4.15Å; F397-L466 HydrophobicContact CE2-CD1 4.28Å; F397-L466 HydrophobicContact CZ-CD1 3.51Å; F397-W468 HydrophobicContact CE2-CH2 4.3Å; F397-W468 HydrophobicContact CE2-CZ3 4.48Å |
| 398 | I | 85 | Confident | 74.3 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 115 | 178.4 | -55.9 | -170.9 | 0 | 0 | 0 | 108.9 | V252 L253 L255 I271 F275 V284 I287 V396 L400 | V252-I398 CarbonylContact C-O 3.51Å; V252-I398 WeakPolarHBondContact CA-O 3.45Å; L253-I398 HydrophobicContact CB-CB 4.27Å; L253-I398 PolarHBondContact N-O 3.18Å; L253-I398 PolarHBondContact O-N 2.9Å; L255-I398 HydrophobicContact CD1-CD1 3.44Å; L255-I398 VanDerWaalsContact CD1-CD1 3.44Å; L255-I398 HydrophobicContact CD1-CG1 4.19Å; L255-I398 HydrophobicContact CG-CD1 4.16Å; I271-I398 HydrophobicContact CD1-CD1 3.81Å; I271-I398 HydrophobicContact CG1-CD1 4.36Å; F275-I398 HydrophobicContact CE2-CD1 3.52Å; F275-I398 HydrophobicContact CE2-CG2 4.48Å; F275-I398 HydrophobicContact CZ-CD1 3.95Å; F275-I398 HydrophobicContact CZ-CG2 4.5Å; V284-I398 HydrophobicContact CG1-CG2 3.84Å; I287-I398 HydrophobicContact CG1-CD1 4.34Å; I287-I398 HydrophobicContact CG1-CG1 4.2Å; I287-I398 HydrophobicContact CG1-CG2 4.16Å; I287-I398 HydrophobicContact CG2-CG1 4.3Å; V396-I398 HydrophobicContact CG1-CG1 4.25Å; I398-L400 HydrophobicContact CG2-CD2 4.03Å |
| 399 | G | 87.7 | Confident | 75.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 121.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | K285 W286 | K285-G399 WeakPolarHBondContact CB-O 3.41Å; K285-G399 PolarHBondContact N-O 3.42Å; W286-G399 VanDerWaalsContact CE2-CA 3.45Å; W286-G399 PolarHBondContact N-O 2.91Å; W286-G399 PolarHBondContact O-N 3.41Å |
| 400 | L | 84.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 167.7 | 171.6 | -60.5 | -172.4 | 0 | 0 | 0 | 111.2 | N251 L253 L282 V284 I398 N402 Q405 V406 | N251-L400 PolarHBondContact ND2-O 3.11Å; N251-L400 PolarHBondContact O-N 3.31Å; L253-L400 HydrophobicContact CD1-CD1 3.79Å; L253-L400 HydrophobicContact CD1-CG 4.29Å; L282-L400 HydrophobicContact CD2-CD1 4.43Å; V284-L400 HydrophobicContact CB-CD2 4.35Å; V284-L400 HydrophobicContact CG2-CD2 3.84Å; I398-L400 HydrophobicContact CG2-CD2 4.03Å; L400-N402 VanDerWaalsContact C-N 3.34Å; L400-N402 PolarHBondContact O-N 3.05Å; L400-Q405 HydrophobicContact CB-CB 4.3Å; L400-Q405 HydrophobicContact CD1-CB 4.08Å; L400-V406 HydrophobicContact CB-CG2 3.97Å; L400-V406 HydrophobicContact CD1-CB 4.39Å; L400-V406 HydrophobicContact CD1-CG2 3.72Å; L400-V406 HydrophobicContact CG-CG2 4.07Å |
| 401 | E | 83.2 | Confident | 75.1 | Confident | 71 Ų | 71 | 23 Ų | 23 | 33% | 0.332 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -61.7 | -41.4 | -176.3 | -172.4 | 175.1 | -153.8 | 0 | 0 | 113.1 | K283 K285 Q405 | K283-E401 HydrophobicContact CB-CB 4.06Å; K283-E401 WeakPolarHBondContact CD-OE2 3.43Å; K283-E401 VanDerWaalsContact CE-OE2 3.24Å; K283-E401 WeakPolarHBondContact CE-OE2 3.28Å; K283-E401 IonicContact NZ-OE1 2.91Å; K283-E401 PolarHBondContact NZ-OE1 3.45Å; K283-E401 IonicContact NZ-OE2 3.04Å; K283-E401 PolarHBondContact NZ-OE2 2.81Å; K283-E401 PolarHBondContact O-N 3.34Å; K283-E401 VanDerWaalsContact O-N 3.13Å; K285-E401 PolarHBondContact NZ-O 3.49Å; E401-Q405 PolarHBondContact OE2-NE2 2.9Å |
| 402 | N | 75.8 | Confident | 74.6 | Confident | 69 Ų | 69 | 22.9 Ų | 22.9 | 37% | 0.369 | 13% | 0.134 | S | C | . | . | trans | -148 | 150.4 | -174.4 | -172.2 | -40.9 | 0 | 0 | 0 | 110.4 | L400 G404 Q405 V406 | L400-N402 VanDerWaalsContact C-N 3.34Å; L400-N402 PolarHBondContact O-N 3.05Å; N402-G404 PolarHBondContact O-N 2.96Å; N402-G404 PolarHBondContact OD1-N 3.32Å; N402-Q405 WeakPolarHBondContact O-CB 2.98Å; N402-Q405 PolarHBondContact O-N 3.04Å; N402-V406 PolarHBondContact O-N 3.18Å | ||
| 403 | S | 69.5 | Low | 73.8 | Confident | 34 Ų | 34 | 24.1 Ų | 24.1 | 24% | 0.238 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -54.1 | -30.8 | 173.3 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | I249 Q405 V406 L407 | I249-S403 WeakPolarHBondContact O-CB 3.41Å; S403-Q405 VanDerWaalsContact C-N 3.32Å; S403-Q405 PolarHBondContact O-N 3.41Å; S403-V406 WeakPolarHBondContact O-CB 3.44Å; S403-V406 PolarHBondContact O-N 2.7Å; S403-L407 WeakPolarHBondContact O-CG 3.25Å; S403-L407 PolarHBondContact O-N 2.68Å |
| 404 | G | 65.7 | Low | 72.4 | Confident | 19 Ų | 19 | 24.6 Ų | 24.6 | 20% | 0.196 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.6 | -35.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N402 R408 | N402-G404 PolarHBondContact O-N 2.96Å; N402-G404 PolarHBondContact OD1-N 3.32Å; G404-R408 WeakPolarHBondContact O-CG 3.41Å; G404-R408 PolarHBondContact O-N 3.01Å; G404-R408 VanDerWaalsContact O-N 3.15Å |
| 405 | Q | 75 | Confident | 70.8 | Confident | 24 Ų | 24 | 27 Ų | 27 | 11% | 0.112 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.1 | -39.8 | 175.8 | -78.7 | -177.6 | 14.8 | 0 | 0 | 111.2 | L282 K283 L400 E401 N402 S403 L407 R408 F409 | L282-Q405 HydrophobicContact CD2-CB 3.57Å; L282-Q405 HydrophobicContact CD2-CG 3.88Å; L282-Q405 WeakPolarHBondContact CD2-O 3.32Å; K283-Q405 PolarHBondContact O-OE1 3.34Å; L400-Q405 HydrophobicContact CB-CB 4.3Å; L400-Q405 HydrophobicContact CD1-CB 4.08Å; E401-Q405 PolarHBondContact OE2-NE2 2.9Å; N402-Q405 WeakPolarHBondContact O-CB 2.98Å; N402-Q405 PolarHBondContact O-N 3.04Å; S403-Q405 VanDerWaalsContact C-N 3.32Å; S403-Q405 PolarHBondContact O-N 3.41Å; Q405-L407 PolarHBondContact O-N 3.14Å; Q405-R408 PolarHBondContact O-N 2.98Å; Q405-F409 PolarHBondContact O-N 3.4Å |
| 406 | V | 67.3 | Low | 69 | Low | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58 | -47.3 | 174.2 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | N251 L253 L400 N402 S403 F409 L410 L459 | N251-V406 WeakPolarHBondContact O-CG2 3.19Å; L253-V406 HydrophobicContact CD2-CG1 3.66Å; L253-V406 HydrophobicContact CG-CG1 4.03Å; L253-V406 HydrophobicContact CG-CG2 4.27Å; L400-V406 HydrophobicContact CB-CG2 3.97Å; L400-V406 HydrophobicContact CD1-CB 4.39Å; L400-V406 HydrophobicContact CD1-CG2 3.72Å; L400-V406 HydrophobicContact CG-CG2 4.07Å; N402-V406 PolarHBondContact O-N 3.18Å; S403-V406 WeakPolarHBondContact O-CB 3.44Å; S403-V406 PolarHBondContact O-N 2.7Å; V406-F409 PolarHBondContact O-N 3.33Å; V406-L410 HydrophobicContact CG1-CD1 3.75Å; V406-L410 WeakPolarHBondContact O-CB 3.28Å; V406-L410 WeakPolarHBondContact O-CG 3.33Å; V406-L410 PolarHBondContact O-N 3.47Å; V406-L459 HydrophobicContact CG1-CD1 3.6Å |
| 407 | L | 64.1 | Low | 66.9 | Low | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | 179.5 | -68 | 174.4 | 0 | 0 | 0 | 112.4 | I249 S403 Q405 L410 S411 I420 F421 V821 | I249-L407 HydrophobicContact CD1-CD1 3.9Å; I249-L407 HydrophobicContact CD1-CD2 4.42Å; I249-L407 HydrophobicContact CG2-CD2 4.24Å; I249-L407 HydrophobicContact CG2-CG 4.35Å; S403-L407 WeakPolarHBondContact O-CG 3.25Å; S403-L407 PolarHBondContact O-N 2.68Å; Q405-L407 PolarHBondContact O-N 3.14Å; L407-L410 PolarHBondContact O-N 3.01Å; L407-S411 WeakPolarHBondContact O-CB 3.33Å; L407-S411 PolarHBondContact O-N 3.4Å; L407-S411 PolarHBondContact O-OG 3.21Å; L407-I420 HydrophobicContact CD2-CG2 4.21Å; L407-F421 HydrophobicContact CD2-CE1 3.89Å; L407-F421 HydrophobicContact CD2-CZ 3.58Å; L407-V821 HydrophobicContact CB-CG2 4.21Å; L407-V821 HydrophobicContact CD1-CG2 3.86Å |
| 408 | R | 67.1 | Low | 64.5 | Low | 57 Ų | 57 | 34 Ų | 34 | 22% | 0.215 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.7 | -50.6 | 174.3 | -74.8 | 174.3 | -177.4 | -164.7 | -8.4 | 111.1 | G404 Q405 L410 S411 S412 Y825 | G404-R408 WeakPolarHBondContact O-CG 3.41Å; G404-R408 PolarHBondContact O-N 3.01Å; G404-R408 VanDerWaalsContact O-N 3.15Å; Q405-R408 PolarHBondContact O-N 2.98Å; R408-L410 VanDerWaalsContact C-N 3.34Å; R408-L410 PolarHBondContact O-N 3.36Å; R408-S411 WeakPolarHBondContact CA-OG 3.47Å; R408-S411 PolarHBondContact O-N 2.87Å; R408-S411 PolarHBondContact O-OG 3.49Å; R408-S412 PolarHBondContact O-N 3.37Å; R408-S412 VanDerWaalsContact O-N 3.15Å; R408-S412 PolarHBondContact O-OG 3.19Å; R408-Y825 VanDerWaalsContact CD-OH 3.31Å; R408-Y825 WeakPolarHBondContact CD-OH 3.35Å; R408-Y825 HydrophobicContact CG-CE2 4.27Å; R408-Y825 PolarHBondContact NE-OH 3.28Å; R408-Y825 VanDerWaalsContact NH2-CZ 3.33Å; R408-Y825 PolarHBondContact NH2-OH 2.98Å |
| 409 | F | 70.5 | Confident | 62.2 | Low | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.9 | -49.7 | 177.1 | -179.1 | -100.5 | 0 | 0 | 0 | 111.5 | L253 F274 F275 H279 L282 Q405 V406 S411 S412 Y413 V457 | L253-F409 HydrophobicContact CD1-CB 4.44Å; L253-F409 HydrophobicContact CD1-CD1 3.43Å; L253-F409 VanDerWaalsContact CD1-CD1 3.43Å; L253-F409 HydrophobicContact CD1-CE1 3.81Å; L253-F409 HydrophobicContact CD1-CG 4.04Å; L253-F409 HydrophobicContact CD2-CD1 4.03Å; L253-F409 HydrophobicContact CG-CD1 4.4Å; F274-F409 HydrophobicContact CE1-CE2 4.14Å; F274-F409 HydrophobicContact CE1-CZ 4.29Å; F275-F409 HydrophobicContact CD1-CD2 4.43Å; F275-F409 HydrophobicContact CD1-CE2 4.07Å; F275-F409 AromaticContact CE1-CD2 3.61Å; F275-F409 HydrophobicContact CE1-CD2 3.61Å; F275-F409 AromaticContact CE1-CE2 3.21Å; F275-F409 HydrophobicContact CE1-CE2 3.21Å; F275-F409 HydrophobicContact CE1-CG 4.4Å; F275-F409 AromaticContact CE1-CZ 3.78Å; F275-F409 HydrophobicContact CE1-CZ 3.78Å; F275-F409 HydrophobicContact CZ-CD2 4.38Å; F275-F409 HydrophobicContact CZ-CE1 4.44Å; F275-F409 AromaticContact CZ-CE2 3.7Å; F275-F409 HydrophobicContact CZ-CE2 3.7Å; F275-F409 AromaticContact CZ-CZ 3.75Å; F275-F409 HydrophobicContact CZ-CZ 3.75Å; H279-F409 AromaticContact CD2-CD2 3.92Å; H279-F409 AromaticContact CD2-CE2 3.87Å; L282-F409 HydrophobicContact CD1-CB 3.82Å; L282-F409 HydrophobicContact CD1-CD2 3.52Å; L282-F409 HydrophobicContact CD1-CE2 4.48Å; L282-F409 HydrophobicContact CD1-CG 4.07Å; Q405-F409 PolarHBondContact O-N 3.4Å; V406-F409 PolarHBondContact O-N 3.33Å; F409-S411 VanDerWaalsContact C-N 3.33Å; F409-S411 PolarHBondContact O-N 3.47Å; F409-S412 WeakPolarHBondContact O-CB 3.41Å; F409-S412 PolarHBondContact O-N 3.12Å; F409-S412 VanDerWaalsContact O-N 3.16Å; F409-Y413 HydrophobicContact CD1-CD2 4.18Å; F409-Y413 AromaticContact CD2-CD2 3.99Å; F409-Y413 HydrophobicContact CD2-CD2 3.99Å; F409-Y413 AromaticContact CD2-CE2 3.64Å; F409-Y413 HydrophobicContact CD2-CE2 3.64Å; F409-Y413 AromaticContact CE1-CD2 3.91Å; F409-Y413 HydrophobicContact CE1-CD2 3.91Å; F409-Y413 HydrophobicContact CE1-CE2 4.22Å; F409-Y413 AromaticContact CE2-CD2 3.75Å; F409-Y413 HydrophobicContact CE2-CD2 3.75Å; F409-Y413 AromaticContact CE2-CE2 3.22Å; F409-Y413 HydrophobicContact CE2-CE2 3.22Å; F409-Y413 HydrophobicContact CG-CD2 4.23Å; F409-Y413 HydrophobicContact CG-CE2 4.33Å; F409-Y413 AromaticContact CZ-CD2 3.7Å; F409-Y413 HydrophobicContact CZ-CD2 3.7Å; F409-Y413 AromaticContact CZ-CE2 3.54Å; F409-Y413 HydrophobicContact CZ-CE2 3.54Å; F409-Y413 VanDerWaalsContact O-CD2 3.23Å; F409-Y413 WeakPolarHBondContact O-CD2 3.33Å; F409-Y413 PolarHBondContact O-N 3Å; F409-V457 HydrophobicContact CD1-CG1 4.21Å; F409-V457 HydrophobicContact CE1-CG1 3.7Å; F409-V457 HydrophobicContact CE1-CG2 4.3Å |
| 410 | L | 64.7 | Low | 59.7 | Low | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -39.7 | 179.1 | -73.5 | 167.7 | 0 | 0 | 0 | 111.8 | L253 V406 L407 R408 S412 Y413 T414 I420 V457 L459 | L253-L410 HydrophobicContact CD2-CD1 3.77Å; L253-L410 HydrophobicContact CD2-CD2 3.88Å; L253-L410 HydrophobicContact CD2-CG 3.69Å; V406-L410 HydrophobicContact CG1-CD1 3.75Å; V406-L410 WeakPolarHBondContact O-CB 3.28Å; V406-L410 WeakPolarHBondContact O-CG 3.33Å; V406-L410 PolarHBondContact O-N 3.47Å; L407-L410 PolarHBondContact O-N 3.01Å; R408-L410 VanDerWaalsContact C-N 3.34Å; R408-L410 PolarHBondContact O-N 3.36Å; L410-S412 PolarHBondContact O-N 3.42Å; L410-Y413 PolarHBondContact O-N 3.05Å; L410-Y413 VanDerWaalsContact O-N 3.12Å; L410-T414 PolarHBondContact O-N 3.24Å; L410-T414 PolarHBondContact O-OG1 3.14Å; L410-I420 HydrophobicContact CB-CB 4.41Å; L410-I420 HydrophobicContact CB-CD1 3.77Å; L410-I420 HydrophobicContact CB-CG1 3.88Å; L410-I420 HydrophobicContact CB-CG2 3.81Å; L410-I420 HydrophobicContact CD1-CB 4.49Å; L410-I420 HydrophobicContact CD1-CG2 3.48Å; L410-I420 VanDerWaalsContact CD1-CG2 3.48Å; L410-I420 HydrophobicContact CG-CG2 4.17Å; L410-V457 HydrophobicContact CD2-CB 4.1Å; L410-V457 HydrophobicContact CD2-CG1 3.46Å; L410-V457 VanDerWaalsContact CD2-CG1 3.46Å; L410-L459 HydrophobicContact CD1-CB 4.27Å |
| 411 | S | 62.8 | Low | 57.5 | Low | 73 Ų | 73 | 40.7 Ų | 40.7 | 51% | 0.51 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.5 | -27.4 | 176.7 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | L407 R408 F409 | L407-S411 WeakPolarHBondContact O-CB 3.33Å; L407-S411 PolarHBondContact O-N 3.4Å; L407-S411 PolarHBondContact O-OG 3.21Å; R408-S411 WeakPolarHBondContact CA-OG 3.47Å; R408-S411 PolarHBondContact O-N 2.87Å; R408-S411 PolarHBondContact O-OG 3.49Å; F409-S411 VanDerWaalsContact C-N 3.33Å; F409-S411 PolarHBondContact O-N 3.47Å |
| 412 | S | 63 | Low | 55.3 | Low | 76 Ų | 76 | 38.4 Ų | 38.4 | 53% | 0.531 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -77.7 | -22.2 | 176.3 | -55.9 | 0 | 0 | 0 | 0 | 113.6 | R408 F409 L410 | R408-S412 PolarHBondContact O-N 3.37Å; R408-S412 VanDerWaalsContact O-N 3.15Å; R408-S412 PolarHBondContact O-OG 3.19Å; F409-S412 WeakPolarHBondContact O-CB 3.41Å; F409-S412 PolarHBondContact O-N 3.12Å; F409-S412 VanDerWaalsContact O-N 3.16Å; L410-S412 PolarHBondContact O-N 3.42Å |
| 413 | Y | 59.8 | Low | 53.6 | Low | 35 Ų | 35 | 38 Ų | 38 | 14% | 0.137 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -114 | -15.9 | -175.4 | -70.6 | -63.2 | 0 | 0 | 0 | 114.5 | F274 H279 F409 L410 P448 | F274-Y413 HydrophobicContact CZ-CE1 4.29Å; F274-Y413 HydrophobicContact CZ-CE2 4.39Å; F274-Y413 AromaticContact CZ-CZ 3.69Å; F274-Y413 WeakPolarHBondContact CZ-OH 3.32Å; H279-Y413 AromaticContact CD2-CE2 3.96Å; H279-Y413 PolarHBondContact CD2-OH 2.83Å; H279-Y413 AromaticContact CE1-CE2 3.8Å; H279-Y413 AromaticContact NE2-CE2 3.11Å; H279-Y413 WeakPolarHBondContact NE2-CE2 3.49Å; H279-Y413 AromaticContact NE2-CZ 3.25Å; H279-Y413 PolarHBondContact NE2-OH 3.02Å; F409-Y413 HydrophobicContact CD1-CD2 4.18Å; F409-Y413 AromaticContact CD2-CD2 3.99Å; F409-Y413 HydrophobicContact CD2-CD2 3.99Å; F409-Y413 AromaticContact CD2-CE2 3.64Å; F409-Y413 HydrophobicContact CD2-CE2 3.64Å; F409-Y413 AromaticContact CE1-CD2 3.91Å; F409-Y413 HydrophobicContact CE1-CD2 3.91Å; F409-Y413 HydrophobicContact CE1-CE2 4.22Å; F409-Y413 AromaticContact CE2-CD2 3.75Å; F409-Y413 HydrophobicContact CE2-CD2 3.75Å; F409-Y413 AromaticContact CE2-CE2 3.22Å; F409-Y413 HydrophobicContact CE2-CE2 3.22Å; F409-Y413 HydrophobicContact CG-CD2 4.23Å; F409-Y413 HydrophobicContact CG-CE2 4.33Å; F409-Y413 AromaticContact CZ-CD2 3.7Å; F409-Y413 HydrophobicContact CZ-CD2 3.7Å; F409-Y413 AromaticContact CZ-CE2 3.54Å; F409-Y413 HydrophobicContact CZ-CE2 3.54Å; F409-Y413 VanDerWaalsContact O-CD2 3.23Å; F409-Y413 WeakPolarHBondContact O-CD2 3.33Å; F409-Y413 PolarHBondContact O-N 3Å; L410-Y413 PolarHBondContact O-N 3.05Å; L410-Y413 VanDerWaalsContact O-N 3.12Å; Y413-P448 HydrophobicContact CD1-CB 4.2Å; Y413-P448 HydrophobicContact CD1-CG 3.66Å; Y413-P448 HydrophobicContact CE1-CB 3.65Å; Y413-P448 HydrophobicContact CE1-CG 3.55Å |
| 414 | T | 48.6 | Very low | 52.4 | Low | 27 Ų | 27 | 40.4 Ų | 40.4 | 17% | 0.166 | 22% | 0.223 | C | C | . | . | trans | -121.7 | 113.3 | 174.3 | 67.1 | 0 | 0 | 0 | 0 | 108 | L410 Y416 I420 | L410-T414 PolarHBondContact O-N 3.24Å; L410-T414 PolarHBondContact O-OG1 3.14Å; T414-Y416 PolarHBondContact O-N 3.06Å; T414-I420 HydrophobicContact CG2-CG1 4.33Å; T414-I420 WeakPolarHBondContact OG1-CD1 3.44Å; T414-I420 WeakPolarHBondContact OG1-CG1 3.44Å | ||
| 415 | T | 45 | Very low | 51.3 | Low | 53 Ų | 53 | 40.3 Ų | 40.3 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -68.8 | -11.6 | 169.3 | 23.7 | 0 | 0 | 0 | 0 | 112.1 | L442 Y444 | T415-L442 HydrophobicContact CG2-CD2 3.4Å; T415-Y444 PolarHBondContact OG1-O 3.46Å |
| 416 | Y | 41.6 | Very low | 49.6 | Very low | 57 Ų | 57 | 39.6 Ų | 39.6 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | trans | -110.8 | 105.2 | 175.8 | -81 | -74.1 | 0 | 0 | 0 | 112.7 | T414 L418 H419 L442 Y443 | T414-Y416 PolarHBondContact O-N 3.06Å; Y416-L418 PolarHBondContact O-N 2.95Å; Y416-L418 VanDerWaalsContact O-N 3.1Å; Y416-H419 PolarHBondContact O-N 3.05Å; Y416-L442 WeakPolarHBondContact CE2-O 3.14Å; Y416-L442 PolarHBondContact OH-O 2.87Å; Y416-Y443 HydrophobicContact CE2-CD1 4.45Å; Y416-Y443 AromaticContact CZ-CD1 3.98Å; Y416-Y443 WeakPolarHBondContact OH-CA 3.47Å; Y416-Y443 WeakPolarHBondContact OH-CD1 3.41Å; Y416-Y443 WeakPolarHBondContact OH-CD2 3.39Å; Y416-Y443 WeakPolarHBondContact OH-CE1 3.38Å | ||
| 417 | P | 37.3 | Very low | 48.4 | Very low | 65 Ų | 65 | 40.8 Ų | 40.8 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.4 | -22.6 | 171.6 | 21.6 | -31.6 | 0 | 0 | 0 | 113.4 | H419 I420 F421 | P417-H419 VanDerWaalsContact C-N 3.28Å; P417-H419 PolarHBondContact O-N 3.08Å; P417-I420 HydrophobicContact CB-CD1 4.25Å; P417-I420 VanDerWaalsContact O-CB 3.3Å; P417-I420 WeakPolarHBondContact O-CB 3.1Å; P417-I420 PolarHBondContact O-N 3.39Å; P417-F421 WeakPolarHBondContact O-CD2 3.23Å; P417-F421 PolarHBondContact O-N 3.34Å |
| 418 | L | 35.4 | Very low | 46.9 | Very low | 45 Ų | 45 | 41.4 Ų | 41.4 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.2 | -35.5 | 170.4 | -109.6 | 177.6 | 0 | 0 | 0 | 114.8 | Y416 I423 S813 | Y416-L418 PolarHBondContact O-N 2.95Å; Y416-L418 VanDerWaalsContact O-N 3.1Å; L418-I423 HydrophobicContact CD2-CD1 3.81Å; L418-S813 WeakPolarHBondContact CD1-OG 3.17Å; L418-S813 WeakPolarHBondContact CG-OG 3.3Å |
| 419 | H | 37.2 | Very low | 45.5 | Very low | 126 Ų | 126 | 39.2 Ų | 39.2 | 58% | 0.583 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -87.1 | -21.9 | -179.2 | -90.1 | -78.9 | 0 | 0 | 0 | 111.9 | Y416 P417 F421 | Y416-H419 PolarHBondContact O-N 3.05Å; P417-H419 VanDerWaalsContact C-N 3.28Å; P417-H419 PolarHBondContact O-N 3.08Å; H419-F421 VanDerWaalsContact C-N 3.34Å |
| 420 | I | 34.8 | Very low | 43.6 | Very low | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.4 | -48 | 170.9 | -61.7 | -175.5 | 0 | 0 | 0 | 110.2 | L407 L410 T414 P417 P422 L459 | L407-I420 HydrophobicContact CD2-CG2 4.21Å; L410-I420 HydrophobicContact CB-CB 4.41Å; L410-I420 HydrophobicContact CB-CD1 3.77Å; L410-I420 HydrophobicContact CB-CG1 3.88Å; L410-I420 HydrophobicContact CB-CG2 3.81Å; L410-I420 HydrophobicContact CD1-CB 4.49Å; L410-I420 HydrophobicContact CD1-CG2 3.48Å; L410-I420 VanDerWaalsContact CD1-CG2 3.48Å; L410-I420 HydrophobicContact CG-CG2 4.17Å; T414-I420 HydrophobicContact CG2-CG1 4.33Å; T414-I420 WeakPolarHBondContact OG1-CD1 3.44Å; T414-I420 WeakPolarHBondContact OG1-CG1 3.44Å; P417-I420 HydrophobicContact CB-CD1 4.25Å; P417-I420 VanDerWaalsContact O-CB 3.3Å; P417-I420 WeakPolarHBondContact O-CB 3.1Å; P417-I420 PolarHBondContact O-N 3.39Å; I420-P422 WeakPolarHBondContact O-CD 3.16Å; I420-L459 WeakPolarHBondContact O-CB 3.35Å |
| 421 | F | 38.6 | Very low | 42 | Very low | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -95.3 | 94.1 | 178.5 | -60.5 | -63.7 | 0 | 0 | 0 | 108.4 | I249 L407 P417 H419 I423 I427 I429 L459 I816 P818 | I249-F421 HydrophobicContact CD1-CE1 3.97Å; I249-F421 HydrophobicContact CD1-CZ 4.11Å; I249-F421 HydrophobicContact CG1-CE1 4.22Å; L407-F421 HydrophobicContact CD2-CE1 3.89Å; L407-F421 HydrophobicContact CD2-CZ 3.58Å; P417-F421 WeakPolarHBondContact O-CD2 3.23Å; P417-F421 PolarHBondContact O-N 3.34Å; H419-F421 VanDerWaalsContact C-N 3.34Å; F421-I423 PolarHBondContact O-N 2.96Å; F421-I427 HydrophobicContact CB-CD1 4.25Å; F421-I427 HydrophobicContact CD1-CD1 3.44Å; F421-I427 VanDerWaalsContact CD1-CD1 3.44Å; F421-I427 HydrophobicContact CE1-CD1 4.21Å; F421-I427 HydrophobicContact CG-CD1 4.26Å; F421-I429 HydrophobicContact CD1-CD1 4Å; F421-I429 HydrophobicContact CD2-CD1 3.82Å; F421-I429 HydrophobicContact CE1-CD1 4.06Å; F421-I429 HydrophobicContact CE2-CD1 3.9Å; F421-I429 HydrophobicContact CG-CD1 3.85Å; F421-I429 HydrophobicContact CZ-CD1 4Å; F421-L459 HydrophobicContact CD1-CD2 3.7Å; F421-L459 HydrophobicContact CE1-CD2 3.95Å; F421-I816 HydrophobicContact CD2-CG2 3.89Å; F421-P818 HydrophobicContact CE2-CG 4.24Å; F421-P818 HydrophobicContact CZ-CB 4.46Å; F421-P818 HydrophobicContact CZ-CG 4.41Å |
| 422 | P | 37.5 | Very low | 40.5 | Very low | 24 Ų | 24 | 46.6 Ų | 46.6 | 16% | 0.156 | 25% | 0.247 | C | C | . | . | trans | -58.9 | 106.6 | 174.5 | 25.3 | -33.2 | 0 | 0 | 0 | 107.2 | I420 N424 N425 | I420-P422 WeakPolarHBondContact O-CD 3.16Å; P422-N424 HydrophobicContact CB-CB 4.43Å; P422-N424 PolarHBondContact O-N 3.23Å; P422-N425 PolarHBondContact O-N 3.42Å | ||
| 423 | I | 39.8 | Very low | 38.9 | Very low | 60 Ų | 60 | 44.9 Ų | 44.9 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -19.4 | 172.7 | -57.8 | 161.8 | 0 | 0 | 0 | 110.2 | L418 F421 N425 K750 L812 | L418-I423 HydrophobicContact CD2-CD1 3.81Å; F421-I423 PolarHBondContact O-N 2.96Å; I423-N425 PolarHBondContact O-N 3.01Å; I423-K750 HydrophobicContact CG2-CB 4.48Å; I423-K750 HydrophobicContact CG2-CG 4.36Å; I423-K750 WeakPolarHBondContact O-CD 3.37Å; I423-L812 HydrophobicContact CD1-CD2 3.93Å; I423-L812 HydrophobicContact CD1-CG 4.4Å; I423-L812 HydrophobicContact CG1-CD2 4.42Å; I423-L812 HydrophobicContact CG2-CD2 3.91Å |
| 424 | N | 44.3 | Very low | 37.3 | Very low | 85 Ų | 85 | 52.9 Ų | 52.9 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -30.2 | 171.4 | -70.7 | -13.2 | 0 | 0 | 0 | 114.1 | P422 K750 | P422-N424 HydrophobicContact CB-CB 4.43Å; P422-N424 PolarHBondContact O-N 3.23Å; N424-K750 PolarHBondContact OD1-NZ 2.76Å |
| 425 | N | 43.1 | Very low | 36.3 | Very low | 17 Ų | 17 | 58.1 Ų | 58.1 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -133.4 | 98.2 | -170.4 | -48.1 | -26 | 0 | 0 | 0 | 109.4 | P422 I423 I427 P461 T557 | P422-N425 PolarHBondContact O-N 3.42Å; I423-N425 PolarHBondContact O-N 3.01Å; N425-I427 WeakPolarHBondContact O-CG1 3.42Å; N425-I427 PolarHBondContact O-N 2.73Å; N425-P461 HydrophobicContact CB-CB 4.1Å; N425-T557 PolarHBondContact OD1-OG1 2.95Å |
| 426 | T | 39.2 | Very low | 35.5 | Very low | 8 Ų | 8 | 62 Ų | 62 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | trans | 60.5 | 45.1 | 142.3 | 67.3 | 0 | 0 | 0 | 0 | 120.8 | N247 I746 H748 | N247-T426 WeakPolarHBondContact CB-O 3.46Å; N247-T426 PolarHBondContact ND2-O 3.03Å; N247-T426 PolarHBondContact OD1-O 2.71Å; T426-I746 HydrophobicContact CG2-CG2 3.34Å; T426-H748 WeakPolarHBondContact CG2-CD2 3.31Å; T426-H748 WeakPolarHBondContact CG2-NE2 3.31Å | ||
| 427 | I | 41.7 | Very low | 34.8 | Very low | 25 Ų | 25 | 70.5 Ų | 70.5 | 13% | 0.128 | 34% | 0.338 | C | S | . | . | trans | -129.7 | 128.8 | 174.6 | -40.2 | 172.5 | 0 | 0 | 0 | 115.3 | N247 F421 N425 I429 L459 | N247-I427 HydrophobicContact CB-CB 4.5Å; N247-I427 HydrophobicContact CB-CG2 4.17Å; F421-I427 HydrophobicContact CB-CD1 4.25Å; F421-I427 HydrophobicContact CD1-CD1 3.44Å; F421-I427 VanDerWaalsContact CD1-CD1 3.44Å; F421-I427 HydrophobicContact CE1-CD1 4.21Å; F421-I427 HydrophobicContact CG-CD1 4.26Å; N425-I427 WeakPolarHBondContact O-CG1 3.42Å; N425-I427 PolarHBondContact O-N 2.73Å; I427-I429 HydrophobicContact CB-CD1 4.17Å; I427-I429 HydrophobicContact CG2-CD1 3.58Å; I427-I429 HydrophobicContact CG2-CG1 3.58Å; I427-L459 HydrophobicContact CD1-CD2 3.49Å; I427-L459 VanDerWaalsContact CD1-CD2 3.49Å | ||
| 428 | H | 33 | Very low | 34.5 | Very low | 22 Ų | 22 | 72.4 Ų | 72.4 | 10% | 0.102 | 35% | 0.35 | C | S | . | . | trans | -111.8 | 109.1 | 173.5 | -156.3 | -58.9 | 0 | 0 | 0 | 107.5 | Y174 N247 Y747 | Y174-H428 VanDerWaalsContact C-CE1 3.48Å; Y174-H428 WeakPolarHBondContact CA-NE2 3.39Å; Y174-H428 PolarHBondContact O-CE1 3.09Å; Y174-H428 PolarHBondContact O-NE2 3.11Å; N247-H428 HydrophobicContact CB-CB 4.42Å; N247-H428 WeakPolarHBondContact ND2-CB 3.27Å; N247-H428 PolarHBondContact ND2-N 3.08Å; H428-Y747 AromaticContact CD2-CD1 3.6Å; H428-Y747 AromaticContact CD2-CE1 3.56Å | ||
| 429 | I | 38 | Very low | 34.1 | Very low | 10 Ų | 10 | 80.4 Ų | 80.4 | 5% | 0.051 | 38% | 0.378 | C | S | . | . | trans | -107.6 | 4.9 | -170.3 | -78.9 | 150.4 | 0 | 0 | 0 | 112.9 | F421 I427 S431 Y432 I816 | F421-I429 HydrophobicContact CD1-CD1 4Å; F421-I429 HydrophobicContact CD2-CD1 3.82Å; F421-I429 HydrophobicContact CE1-CD1 4.06Å; F421-I429 HydrophobicContact CE2-CD1 3.9Å; F421-I429 HydrophobicContact CG-CD1 3.85Å; F421-I429 HydrophobicContact CZ-CD1 4Å; I427-I429 HydrophobicContact CB-CD1 4.17Å; I427-I429 HydrophobicContact CG2-CD1 3.58Å; I427-I429 HydrophobicContact CG2-CG1 3.58Å; I429-S431 PolarHBondContact O-N 3.26Å; I429-Y432 PolarHBondContact O-N 2.62Å; I429-I816 HydrophobicContact CB-CG1 4.43Å; I429-I816 HydrophobicContact CD1-CB 4.38Å; I429-I816 HydrophobicContact CD1-CG2 3.64Å; I429-I816 VanDerWaalsContact CG2-O 3.3Å; I429-I816 WeakPolarHBondContact CG2-O 3.34Å | ||
| 430 | Q | 30.2 | Very low | 33.5 | Very low | 67 Ų | 67 | 84.3 Ų | 84.3 | 31% | 0.313 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -8.7 | -176.9 | -133.7 | 179.4 | 13 | 0 | 0 | 113.6 | Y432 | Q430-Y432 PolarHBondContact O-N 3.37Š|
| 431 | S | 30.6 | Very low | 33 | Very low | 65 Ų | 65 | 90.5 Ų | 90.5 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -8.3 | 170.1 | 42.7 | 0 | 0 | 0 | 0 | 114.4 | I429 | I429-S431 PolarHBondContact O-N 3.26Š|
| 432 | Y | 31.5 | Very low | 32.3 | Very low | 98 Ų | 98 | 94.4 Ų | 94.4 | 38% | 0.384 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | -27.2 | -171.5 | -83.5 | -69.3 | 0 | 0 | 0 | 116.2 | I429 Q430 K434 V819 | I429-Y432 PolarHBondContact O-N 2.62Å; Q430-Y432 PolarHBondContact O-N 3.37Å; Y432-K434 PolarHBondContact O-N 3.15Å; Y432-V819 VanDerWaalsContact C-CG2 3.43Å; Y432-V819 HydrophobicContact CD1-CB 4.15Å; Y432-V819 HydrophobicContact CG-CB 4.39Å; Y432-V819 WeakPolarHBondContact O-CB 3.32Å; Y432-V819 WeakPolarHBondContact O-CG1 3.28Å; Y432-V819 WeakPolarHBondContact O-CG2 3.47Å |
| 433 | C | 30.6 | Very low | 31.6 | Very low | 39 Ų | 39 | 102.5 Ų | 102.5 | 26% | 0.264 | 47% | 0.47 | S | S | . | . | trans | -80.3 | 102.1 | -172.3 | -86.9 | 0 | 0 | 0 | 0 | 115.4 | L815 C817 | C433-L815 PolarHBondContact SG-O 3.23Å; C433-C817 PolarHBondContact SG-O 3.16Å | ||
| 434 | K | 24.9 | Very low | 30.9 | Very low | 204 Ų | 204 | 109.2 Ų | 109.2 | 89% | 0.887 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -125.1 | -17.9 | 156.6 | -111 | -171.6 | -177.8 | -177 | 0 | 118.1 | Y432 | Y432-K434 PolarHBondContact O-N 3.15Š|
| 435 | Q | 27.9 | Very low | 30.3 | Very low | 137 Ų | 137 | 111.4 Ų | 111.4 | 64% | 0.64 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -145.1 | 121.2 | -179.4 | -76.2 | 168.7 | -18.2 | 0 | 0 | 110.1 | ||
| 436 | H | 27.8 | Very low | 29.9 | Very low | 134 Ų | 134 | 118.7 Ų | 118.7 | 62% | 0.62 | 54% | 0.536 | S | S | * | . | trans | 133.8 | 105.4 | 159.4 | -68.3 | -63.3 | 0 | 0 | 0 | 114.8 | ||||
| 437 | R | 26.8 | Very low | 29.9 | Very low | 235 Ų | 235 | 125.2 Ų | 125.2 | 89% | 0.887 | 56% | 0.564 | S | S | * | * | trans | -89.2 | 171.9 | 152.8 | -69.8 | -171.2 | -164.6 | -175.5 | 5.4 | 108.5 | ||||
| 438 | P | 31.4 | Very low | 30 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 68% | 0.682 | 57% | 0.568 | S | S | * | * | cis | -132.9 | 122.9 | -19.8 | 27.4 | -5.6 | 0 | 0 | 0 | 112.9 | R440 | P438-R440 PolarHBondContact O-N 3.06Š| ||
| 439 | W | 26.4 | Very low | 30.4 | Very low | 213 Ų | 213 | 134 Ų | 134 | 81% | 0.807 | 61% | 0.605 | S | S | * | * | trans | -89.2 | 91 | 172.2 | -61.4 | 93.8 | 0 | 0 | 0 | 110.3 | L442 | W439-L442 HydrophobicContact CE3-CD1 4.44Š| ||
| 440 | R | 25.2 | Very low | 31 | Very low | 209 Ų | 209 | 140.3 Ų | 140.3 | 79% | 0.789 | 63% | 0.628 | S | S | * | * | trans | -97.3 | -15 | -173.1 | -121.9 | -176.7 | -168.3 | -163.4 | 2.6 | 115.8 | P438 | P438-R440 PolarHBondContact O-N 3.06Š| ||
| 441 | N | 23.9 | Very low | 32.2 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 74% | 0.738 | 63% | 0.634 | S | S | * | * | trans | -141.8 | 87.2 | -166.7 | -65.1 | -16.2 | 0 | 0 | 0 | 113.1 | ||||
| 442 | L | 24.4 | Very low | 33.9 | Very low | 88 Ų | 88 | 143.8 Ų | 143.8 | 46% | 0.461 | 64% | 0.639 | S | S | . | * | trans | -160.3 | 79.9 | 171.1 | -99.9 | 121.6 | 0 | 0 | 0 | 112.4 | T415 Y416 W439 | T415-L442 HydrophobicContact CG2-CD2 3.4Å; Y416-L442 WeakPolarHBondContact CE2-O 3.14Å; Y416-L442 PolarHBondContact OH-O 2.87Å; W439-L442 HydrophobicContact CE3-CD1 4.44Å | ||
| 443 | Y | 23.1 | Very low | 36 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 76% | 0.757 | 62% | 0.622 | S | S | * | * | trans | -95.1 | 7.4 | -176.9 | -84.7 | -86.5 | 0 | 0 | 0 | 116.7 | Y416 | Y416-Y443 HydrophobicContact CE2-CD1 4.45Å; Y416-Y443 AromaticContact CZ-CD1 3.98Å; Y416-Y443 WeakPolarHBondContact OH-CA 3.47Å; Y416-Y443 WeakPolarHBondContact OH-CD1 3.41Å; Y416-Y443 WeakPolarHBondContact OH-CD2 3.39Å; Y416-Y443 WeakPolarHBondContact OH-CE1 3.38Å | ||
| 444 | Y | 24.9 | Very low | 38.1 | Very low | 202 Ų | 202 | 138.5 Ų | 138.5 | 79% | 0.792 | 61% | 0.613 | S | S | * | * | trans | -113.7 | 124.7 | -173.6 | -79.8 | -89.5 | 0 | 0 | 0 | 113.2 | T415 | T415-Y444 PolarHBondContact OG1-O 3.46Š| ||
| 445 | I | 31.8 | Very low | 40.2 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 67% | 0.667 | 59% | 0.594 | S | S | * | * | trans | -77.7 | 113.4 | 164.5 | -63.7 | 170.2 | 0 | 0 | 0 | 107.1 | K447 | I445-K447 HydrophobicContact CG2-CG 4.48Å; I445-K447 PolarHBondContact O-N 3.21Å | ||
| 446 | E | 33.7 | Very low | 42.3 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 79% | 0.794 | 59% | 0.585 | S | S | * | * | trans | -78.9 | 109.1 | 157.2 | -98.9 | -175.1 | 151.4 | 0 | 0 | 107.8 | ||||
| 447 | K | 39.5 | Very low | 44.3 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 63% | 0.63 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 133.8 | 162.6 | -77.1 | -176 | 176.3 | -179.2 | 0 | 107.2 | I445 K449 | I445-K447 HydrophobicContact CG2-CG 4.48Å; I445-K447 PolarHBondContact O-N 3.21Å; K447-K449 PolarHBondContact O-N 3.38Å |
| 448 | P | 43.9 | Very low | 46.2 | Very low | 32 Ų | 32 | 116.3 Ų | 116.3 | 21% | 0.208 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -47.7 | 135.5 | 169.6 | -0.5 | -8.3 | 0 | 0 | 0 | 110.4 | Y413 R450 S451 | Y413-P448 HydrophobicContact CD1-CB 4.2Å; Y413-P448 HydrophobicContact CD1-CG 3.66Å; Y413-P448 HydrophobicContact CE1-CB 3.65Å; Y413-P448 HydrophobicContact CE1-CG 3.55Å; P448-R450 PolarHBondContact O-N 2.66Å; P448-R450 VanDerWaalsContact O-N 3.11Å; P448-S451 PolarHBondContact O-N 2.96Å; P448-S451 VanDerWaalsContact O-N 3.13Å |
| 449 | K | 43.2 | Very low | 47.9 | Very low | 200 Ų | 200 | 111.5 Ų | 111.5 | 87% | 0.87 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 119.8 | 157.3 | -71.5 | 179.4 | 177 | 176.9 | 0 | 106.1 | K447 | K447-K449 PolarHBondContact O-N 3.38Š|
| 450 | R | 50.2 | Low | 49.9 | Very low | 143 Ų | 143 | 101.6 Ų | 101.6 | 54% | 0.54 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | 37.5 | -166.5 | -54.2 | 177.9 | 177.3 | 174.6 | -0.4 | 116.9 | P448 Y452 | P448-R450 PolarHBondContact O-N 2.66Å; P448-R450 VanDerWaalsContact O-N 3.11Å; R450-Y452 HydrophobicContact CB-CD1 4.31Å; R450-Y452 HydrophobicContact CB-CE1 4Å; R450-Y452 HydrophobicContact CG-CE1 4.39Å; R450-Y452 PolarHBondContact O-N 3.3Å |
| 451 | S | 55.3 | Low | 52.1 | Low | 62 Ų | 62 | 92.1 Ų | 92.1 | 43% | 0.434 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 17.2 | 179.3 | 89.5 | 0 | 0 | 0 | 0 | 117.2 | P448 | P448-S451 PolarHBondContact O-N 2.96Å; P448-S451 VanDerWaalsContact O-N 3.13Å |
| 452 | Y | 66.4 | Low | 54.2 | Low | 143 Ų | 143 | 87.4 Ų | 87.4 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -19.1 | 179.7 | 66.7 | -96.8 | 0 | 0 | 0 | 112.7 | P259 R450 | P259-Y452 WeakPolarHBondContact CG-O 3.27Å; R450-Y452 HydrophobicContact CB-CD1 4.31Å; R450-Y452 HydrophobicContact CB-CE1 4Å; R450-Y452 HydrophobicContact CG-CE1 4.39Å; R450-Y452 PolarHBondContact O-N 3.3Å |
| 453 | L | 74.1 | Confident | 56.5 | Low | 8 Ų | 8 | 86.8 Ų | 86.8 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -75.7 | -40.4 | -170.5 | -158.5 | 75.3 | 0 | 0 | 0 | 113.1 | F267 E270 I271 F274 | F267-L453 HydrophobicContact CD2-CD1 4.14Å; F267-L453 HydrophobicContact CD2-CG 4.34Å; F267-L453 HydrophobicContact CE2-CD1 4.21Å; F267-L453 HydrophobicContact CE2-CG 3.89Å; E270-L453 HydrophobicContact CB-CD1 3.65Å; E270-L453 VanDerWaalsContact OE2-CD1 3.29Å; E270-L453 WeakPolarHBondContact OE2-CD1 3.48Å; I271-L453 HydrophobicContact CB-CD2 3.75Å; I271-L453 HydrophobicContact CD1-CD2 3.84Å; I271-L453 HydrophobicContact CG1-CD2 3.62Å; F274-L453 HydrophobicContact CB-CD2 4.16Å; F274-L453 HydrophobicContact CG-CD2 4.29Å |
| 454 | F | 75 | Confident | 58.8 | Low | 18 Ų | 18 | 78.6 Ų | 78.6 | 8% | 0.079 | 38% | 0.378 | C | S | . | . | trans | -153.6 | 153.6 | 177.1 | 53.4 | -96.8 | 0 | 0 | 0 | 110.6 | L255 V258 I271 F274 V457 | L255-F454 HydrophobicContact CB-CB 4.49Å; L255-F454 HydrophobicContact CD1-CD1 4.15Å; L255-F454 HydrophobicContact CD2-CD2 4.44Å; L255-F454 HydrophobicContact CD2-CG 4.37Å; V258-F454 HydrophobicContact CG2-CB 4.12Å; I271-F454 HydrophobicContact CD1-CD1 4.36Å; F274-F454 HydrophobicContact CE1-CE1 4.1Å; F274-F454 HydrophobicContact CE1-CZ 4.18Å; F274-F454 HydrophobicContact CZ-CE1 4.14Å; F274-F454 AromaticContact CZ-CZ 3.98Å; F274-F454 HydrophobicContact CZ-CZ 3.98Å; F454-V457 HydrophobicContact CD2-CG2 3.56Å; F454-V457 HydrophobicContact CE2-CG2 3.2Å; F454-V457 HydrophobicContact CZ-CG2 4.01Å | ||
| 455 | S | 70.4 | Confident | 61.1 | Low | 69 Ų | 69 | 69 Ų | 69 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -94.2 | -35.3 | -178.9 | -175.3 | 0 | 0 | 0 | 0 | 113.5 | T256 | T256-S455 PolarHBondContact O-N 2.91Å; T256-S455 VanDerWaalsContact O-N 3.07Å |
| 456 | H | 70.8 | Confident | 63.2 | Low | 95 Ų | 95 | 63.2 Ų | 63.2 | 44% | 0.44 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 145.6 | -178.6 | -48.6 | 84.3 | 0 | 0 | 0 | 111.5 | T256 Y458 | T256-H456 PolarHBondContact N-O 3.26Å; T256-H456 PolarHBondContact O-N 3.48Å; H456-Y458 HydrophobicContact CB-CD2 4.37Å; H456-Y458 HydrophobicContact CB-CE2 3.47Å; H456-Y458 VanDerWaalsContact CB-CE2 3.47Å; H456-Y458 WeakPolarHBondContact CB-OH 3.47Å |
| 457 | V | 69.7 | Low | 65.4 | Low | 15 Ų | 15 | 55.8 Ų | 55.8 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.6 | 175.9 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | L253 L255 F409 L410 F454 | L253-V457 HydrophobicContact CD2-CG1 3.86Å; L255-V457 HydrophobicContact CD2-CB 4.04Å; L255-V457 HydrophobicContact CD2-CG1 3.71Å; L255-V457 HydrophobicContact CD2-CG2 3.61Å; F409-V457 HydrophobicContact CD1-CG1 4.21Å; F409-V457 HydrophobicContact CE1-CG1 3.7Å; F409-V457 HydrophobicContact CE1-CG2 4.3Å; L410-V457 HydrophobicContact CD2-CB 4.1Å; L410-V457 HydrophobicContact CD2-CG1 3.46Å; L410-V457 VanDerWaalsContact CD2-CG1 3.46Å; F454-V457 HydrophobicContact CD2-CG2 3.56Å; F454-V457 HydrophobicContact CE2-CG2 3.2Å; F454-V457 HydrophobicContact CZ-CG2 4.01Å |
| 458 | Y | 67.9 | Low | 67.4 | Low | 65 Ų | 65 | 51.9 Ų | 51.9 | 26% | 0.255 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 157.5 | 174.4 | -55.6 | -76.6 | 0 | 0 | 0 | 110.6 | M254 T256 H456 A460 | M254-Y458 PolarHBondContact N-O 3.29Å; M254-Y458 PolarHBondContact O-N 2.93Å; T256-Y458 HydrophobicContact CG2-CD2 4.23Å; T256-Y458 HydrophobicContact CG2-CE2 4.29Å; H456-Y458 HydrophobicContact CB-CD2 4.37Å; H456-Y458 HydrophobicContact CB-CE2 3.47Å; H456-Y458 VanDerWaalsContact CB-CE2 3.47Å; H456-Y458 WeakPolarHBondContact CB-OH 3.47Å; Y458-A460 PolarHBondContact O-N 3.28Å |
| 459 | L | 66.5 | Low | 69.2 | Low | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 129.4 | 159.2 | -173.3 | 62.8 | 0 | 0 | 0 | 108.6 | I249 P250 V406 L410 I420 F421 I427 | I249-L459 HydrophobicContact CG2-CD1 3.92Å; I249-L459 HydrophobicContact CG2-CD2 4.05Å; P250-L459 HydrophobicContact CG-CD1 3.65Å; P250-L459 HydrophobicContact CG-CD2 4.32Å; P250-L459 HydrophobicContact CG-CG 3.72Å; P250-L459 WeakPolarHBondContact O-CD1 3.5Å; V406-L459 HydrophobicContact CG1-CD1 3.6Å; L410-L459 HydrophobicContact CD1-CB 4.27Å; I420-L459 WeakPolarHBondContact O-CB 3.35Å; F421-L459 HydrophobicContact CD1-CD2 3.7Å; F421-L459 HydrophobicContact CE1-CD2 3.95Å; I427-L459 HydrophobicContact CD1-CD2 3.49Å; I427-L459 VanDerWaalsContact CD1-CD2 3.49Å |
| 460 | A | 68.5 | Low | 71 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -64 | 131.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | P250 V252 M254 F397 Y458 | P250-A460 WeakPolarHBondContact CG-O 3.43Å; V252-A460 HydrophobicContact CB-CB 3.86Å; V252-A460 HydrophobicContact CG1-CB 3.72Å; V252-A460 WeakPolarHBondContact O-CB 3.26Å; V252-A460 PolarHBondContact O-N 2.91Å; M254-A460 HydrophobicContact CB-CB 4.08Å; F397-A460 HydrophobicContact CD1-CB 4.05Å; F397-A460 HydrophobicContact CE1-CB 4.08Å; Y458-A460 PolarHBondContact O-N 3.28Å |
| 461 | P | 71.1 | Confident | 72.3 | Confident | 11 Ų | 11 | 36.9 Ų | 36.9 | 7% | 0.071 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 159.3 | 167.1 | 27.1 | -33 | 0 | 0 | 0 | 110.2 | N425 S463 L466 T557 | N425-P461 HydrophobicContact CB-CB 4.1Å; P461-S463 PolarHBondContact O-N 2.95Å; P461-L466 HydrophobicContact CG-CD1 4.26Å; P461-L466 HydrophobicContact CG-CD2 3.47Å; P461-L466 VanDerWaalsContact CG-CD2 3.47Å; P461-L466 HydrophobicContact CG-CG 3.75Å; P461-T557 HydrophobicContact CB-CG2 4.05Å; P461-T557 HydrophobicContact CG-CG2 3.9Å |
| 462 | P | 68.7 | Low | 73.5 | Confident | 39 Ų | 39 | 34.1 Ų | 34.1 | 25% | 0.253 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -50.1 | 137.4 | 169.1 | -24.7 | 34.2 | 0 | 0 | 0 | 110.5 | S464 D465 L466 I746 | P462-S464 PolarHBondContact O-N 3.41Å; P462-S464 VanDerWaalsContact O-N 3.09Å; P462-D465 HydrophobicContact CB-CB 4.44Å; P462-D465 PolarHBondContact O-N 2.84Å; P462-L466 PolarHBondContact O-N 3.03Å; P462-I746 HydrophobicContact CB-CD1 3.73Å; P462-I746 HydrophobicContact CG-CD1 3.94Å |
| 463 | S | 73.1 | Confident | 73.9 | Confident | 75 Ų | 75 | 28 Ų | 28 | 52% | 0.524 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.9 | -179.6 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | P461 W468 | P461-S463 PolarHBondContact O-N 2.95Å; S463-W468 PolarHBondContact O-NE1 3.01Å |
| 464 | S | 69.9 | Low | 73.5 | Confident | 21 Ų | 21 | 32.2 Ų | 32.2 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -22.2 | 174.8 | 58.4 | 0 | 0 | 0 | 0 | 114.9 | P462 I746 | P462-S464 PolarHBondContact O-N 3.41Å; P462-S464 VanDerWaalsContact O-N 3.09Å; S464-I746 VanDerWaalsContact OG-CD1 3.24Å; S464-I746 WeakPolarHBondContact OG-CD1 3.02Å |
| 465 | D | 74.7 | Confident | 72.7 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -14.2 | 177.3 | -170.6 | 40.3 | 0 | 0 | 0 | 111.9 | P462 T557 R558 G559 H748 | P462-D465 HydrophobicContact CB-CB 4.44Å; P462-D465 PolarHBondContact O-N 2.84Å; D465-T557 CarbonylContact O-C 3.42Å; D465-T557 WeakPolarHBondContact O-CA 3.49Å; D465-T557 WeakPolarHBondContact OD2-CB 3.27Å; D465-R558 PolarHBondContact O-N 3.49Å; D465-R558 WeakPolarHBondContact OD1-CB 3.18Å; D465-R558 PolarHBondContact OD1-N 3.41Å; D465-G559 PolarHBondContact OD1-N 3.17Å; D465-H748 IonicContact OD1-NE2 3.99Å; D465-H748 IonicContact OD2-NE2 3.92Å |
| 466 | L | 75.4 | Confident | 72.1 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -74.6 | 130.3 | 176 | -73.5 | 169.4 | 0 | 0 | 0 | 111.4 | F397 P461 P462 W468 I471 T557 | F397-L466 HydrophobicContact CE1-CD1 4.15Å; F397-L466 HydrophobicContact CE2-CD1 4.28Å; F397-L466 HydrophobicContact CZ-CD1 3.51Å; P461-L466 HydrophobicContact CG-CD1 4.26Å; P461-L466 HydrophobicContact CG-CD2 3.47Å; P461-L466 VanDerWaalsContact CG-CD2 3.47Å; P461-L466 HydrophobicContact CG-CG 3.75Å; P462-L466 PolarHBondContact O-N 3.03Å; L466-W468 HydrophobicContact CB-CZ2 4.41Å; L466-W468 HydrophobicContact CD1-CH2 4.22Å; L466-W468 HydrophobicContact CD1-CZ2 3.95Å; L466-W468 VanDerWaalsContact O-CD1 3.24Å; L466-W468 PolarHBondContact O-N 3.35Å; L466-I471 HydrophobicContact CB-CD1 4.39Å; L466-I471 HydrophobicContact CD1-CD1 4.43Å; L466-I471 HydrophobicContact CD2-CD1 4.4Å; L466-T557 HydrophobicContact CD2-CG2 4.08Å |
| 467 | L | 80.2 | Confident | 71.4 | Confident | 14 Ų | 14 | 29 Ų | 29 | 7% | 0.073 | 16% | 0.16 | C | C | . | . | trans | -84.8 | 86.7 | 171.3 | -64.7 | 172.3 | 0 | 0 | 0 | 108.7 | L469 N470 I471 H555 K556 R558 L561 D731 | L467-L469 VanDerWaalsContact C-N 3.34Å; L467-L469 PolarHBondContact O-N 2.87Å; L467-N470 HydrophobicContact CB-CB 4.14Å; L467-N470 WeakPolarHBondContact O-CB 3.16Å; L467-N470 PolarHBondContact O-N 3.29Å; L467-I471 PolarHBondContact O-N 3.41Å; L467-I471 VanDerWaalsContact O-N 3.11Å; L467-H555 HydrophobicContact CD1-CB 4.46Å; L467-H555 WeakPolarHBondContact CD1-O 3.45Å; L467-K556 PolarHBondContact N-O 3.42Å; L467-R558 HydrophobicContact CD2-CB 4.15Å; L467-R558 HydrophobicContact CG-CB 4.42Å; L467-L561 HydrophobicContact CD1-CD2 4.1Å; L467-D731 VanDerWaalsContact CD2-OD2 3.24Å; L467-D731 WeakPolarHBondContact CD2-OD2 3.26Å | ||
| 468 | W | 80.2 | Confident | 71.1 | Confident | 63 Ų | 63 | 30.5 Ų | 30.5 | 24% | 0.239 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53.7 | -45.3 | -171.6 | -70.4 | 93.5 | 0 | 0 | 0 | 113.3 | M297 F397 S463 L466 N470 I471 T472 I732 | M297-W468 HydrophobicContact CE-CB 4.07Å; F397-W468 HydrophobicContact CE2-CH2 4.3Å; F397-W468 HydrophobicContact CE2-CZ3 4.48Å; S463-W468 PolarHBondContact O-NE1 3.01Å; L466-W468 HydrophobicContact CB-CZ2 4.41Å; L466-W468 HydrophobicContact CD1-CH2 4.22Å; L466-W468 HydrophobicContact CD1-CZ2 3.95Å; L466-W468 VanDerWaalsContact O-CD1 3.24Å; L466-W468 PolarHBondContact O-N 3.35Å; W468-N470 PolarHBondContact O-N 2.86Å; W468-N470 VanDerWaalsContact O-N 3.16Å; W468-I471 HydrophobicContact CD2-CD1 4.13Å; W468-I471 HydrophobicContact CE3-CD1 3.64Å; W468-I471 HydrophobicContact CE3-CG1 4.37Å; W468-I471 HydrophobicContact CZ3-CD1 3.9Å; W468-I471 VanDerWaalsContact O-CG1 3.27Å; W468-I471 WeakPolarHBondContact O-CG1 3.47Å; W468-I471 PolarHBondContact O-N 3.42Å; W468-T472 WeakPolarHBondContact O-CG2 3.4Å; W468-T472 PolarHBondContact O-N 2.99Å; W468-T472 PolarHBondContact O-OG1 3.1Å; W468-I732 HydrophobicContact CB-CD1 4.41Å; W468-I732 HydrophobicContact CD2-CD1 4.34Å; W468-I732 HydrophobicContact CG-CD1 3.78Å; W468-I732 HydrophobicContact CG-CG1 4.43Å |
| 469 | L | 81.9 | Confident | 71.2 | Confident | 32 Ų | 32 | 31.9 Ų | 31.9 | 17% | 0.168 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.4 | -23.7 | 177.4 | -70 | 166.7 | 0 | 0 | 0 | 114.2 | R294 M297 E298 L467 | R294-L469 WeakPolarHBondContact CD-O 3.5Å; R294-L469 PolarHBondContact NH1-O 2.91Å; R294-L469 VanDerWaalsContact NH1-O 3.07Å; M297-L469 HydrophobicContact CB-CD2 4.04Å; M297-L469 HydrophobicContact CE-CD2 4.36Å; E298-L469 HydrophobicContact CG-CD2 4.21Å; L467-L469 VanDerWaalsContact C-N 3.34Å; L467-L469 PolarHBondContact O-N 2.87Å |
| 470 | N | 82.4 | Confident | 71.6 | Confident | 27 Ų | 27 | 40.3 Ų | 40.3 | 14% | 0.144 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -90.4 | -37.8 | 179 | -71.9 | -20.4 | 0 | 0 | 0 | 112.1 | L467 W468 R554 H555 | L467-N470 HydrophobicContact CB-CB 4.14Å; L467-N470 WeakPolarHBondContact O-CB 3.16Å; L467-N470 PolarHBondContact O-N 3.29Å; W468-N470 PolarHBondContact O-N 2.86Å; W468-N470 VanDerWaalsContact O-N 3.16Å; N470-R554 HydrophobicContact CB-CB 4.43Å; N470-H555 WeakPolarHBondContact CB-O 3.34Å; N470-H555 PolarHBondContact ND2-O 3.39Å; N470-H555 VanDerWaalsContact ND2-O 3.14Å |
| 471 | I | 76.7 | Confident | 71.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.6 | -27.5 | 179.5 | 63.4 | 172.5 | 0 | 0 | 0 | 112.4 | V290 T393 I395 L466 L467 W468 S473 K556 | V290-I471 HydrophobicContact CG1-CD1 4.35Å; V290-I471 HydrophobicContact CG1-CG1 4.31Å; T393-I471 VanDerWaalsContact CG2-O 3.27Å; T393-I471 WeakPolarHBondContact CG2-O 3.44Å; I395-I471 HydrophobicContact CD1-CB 4.39Å; L466-I471 HydrophobicContact CB-CD1 4.39Å; L466-I471 HydrophobicContact CD1-CD1 4.43Å; L466-I471 HydrophobicContact CD2-CD1 4.4Å; L467-I471 PolarHBondContact O-N 3.41Å; L467-I471 VanDerWaalsContact O-N 3.11Å; W468-I471 HydrophobicContact CD2-CD1 4.13Å; W468-I471 HydrophobicContact CE3-CD1 3.64Å; W468-I471 HydrophobicContact CE3-CG1 4.37Å; W468-I471 HydrophobicContact CZ3-CD1 3.9Å; W468-I471 VanDerWaalsContact O-CG1 3.27Å; W468-I471 WeakPolarHBondContact O-CG1 3.47Å; W468-I471 PolarHBondContact O-N 3.42Å; I471-S473 PolarHBondContact O-N 3.26Å; I471-S473 VanDerWaalsContact O-N 3.16Å; I471-K556 HydrophobicContact CG2-CB 4.35Å |
| 472 | T | 79.2 | Confident | 72 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 17.2 | 175.6 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | V290 L292 V293 R294 M297 W468 | V290-T472 HydrophobicContact CG1-CG2 4.04Å; L292-T472 WeakPolarHBondContact CD1-O 3.39Å; V293-T472 HydrophobicContact CG2-CG2 4.02Å; R294-T472 WeakPolarHBondContact CB-O 3.49Å; R294-T472 PolarHBondContact N-O 2.62Å; M297-T472 HydrophobicContact SD-CG2 3.87Å; W468-T472 WeakPolarHBondContact O-CG2 3.4Å; W468-T472 PolarHBondContact O-N 2.99Å; W468-T472 PolarHBondContact O-OG1 3.1Å |
| 473 | S | 74.9 | Confident | 72.6 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -119.5 | 145.6 | 179.6 | 177.7 | 0 | 0 | 0 | 0 | 112.4 | I471 T475 | I471-S473 PolarHBondContact O-N 3.26Å; I471-S473 VanDerWaalsContact O-N 3.16Å; S473-T475 PolarHBondContact O-N 2.89Å; S473-T475 VanDerWaalsContact O-N 3.16Å; S473-T475 PolarHBondContact OG-N 3.05Å; S473-T475 PolarHBondContact OG-OG1 2.72Å |
| 474 | T | 65.7 | Low | 73.1 | Confident | 97 Ų | 97 | 54.2 Ų | 54.2 | 60% | 0.595 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -63.3 | -21.6 | 176.8 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | L292 H476 | L292-T474 HydrophobicContact CD1-CG2 3.39Å; L292-T474 HydrophobicContact CD2-CG2 3.48Å; L292-T474 VanDerWaalsContact CD2-CG2 3.48Å; L292-T474 HydrophobicContact CG-CG2 4.1Å; T474-H476 PolarHBondContact O-N 3.24Å |
| 475 | T | 58.4 | Low | 73.7 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -69 | -3.5 | -169.9 | 53 | 0 | 0 | 0 | 0 | 114.8 | S473 W481 R484 R554 | S473-T475 PolarHBondContact O-N 2.89Å; S473-T475 VanDerWaalsContact O-N 3.16Å; S473-T475 PolarHBondContact OG-N 3.05Å; S473-T475 PolarHBondContact OG-OG1 2.72Å; T475-W481 WeakPolarHBondContact O-CB 3.19Å; T475-R484 VanDerWaalsContact CB-NH1 3.34Å; T475-R554 WeakPolarHBondContact OG1-CD 3.37Å |
| 476 | H | 57.6 | Low | 74.2 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -80 | -29.1 | -172.9 | -179.2 | -75.1 | 0 | 0 | 0 | 113.2 | T474 K556 | T474-H476 PolarHBondContact O-N 3.24Å; H476-K556 VanDerWaalsContact CD2-CG 3.5Å; H476-K556 WeakPolarHBondContact CD2-CG 3.14Å; H476-K556 WeakPolarHBondContact CE1-CE 3.02Å; H476-K556 WeakPolarHBondContact NE2-CE 3.44Å; H476-K556 WeakPolarHBondContact NE2-CG 3.39Å |
| 477 | H | 57.5 | Low | 74.7 | Confident | 68 Ų | 68 | 58.8 Ų | 58.8 | 32% | 0.315 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -110.4 | 144.6 | -168.1 | -71.4 | -79.2 | 0 | 0 | 0 | 114.7 | ||
| 478 | G | 63.3 | Low | 74.9 | Confident | 47 Ų | 47 | 59.5 Ų | 59.5 | 49% | 0.485 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 88.3 | -171 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | K480 W481 W482 | G478-K480 PolarHBondContact O-N 2.81Å; G478-W481 PolarHBondContact O-N 3.21Å; G478-W482 PolarHBondContact O-N 3.24Å |
| 479 | S | 68.9 | Low | 75.1 | Confident | 94 Ų | 94 | 61 Ų | 61 | 66% | 0.657 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.4 | -27.7 | -176 | -52.6 | 0 | 0 | 0 | 0 | 113.2 | W482 L483 | S479-W482 PolarHBondContact O-N 2.92Å; S479-L483 WeakPolarHBondContact O-CB 3.27Å; S479-L483 VanDerWaalsContact O-CG 3.25Å; S479-L483 WeakPolarHBondContact O-CG 3.25Å; S479-L483 PolarHBondContact O-N 2.86Å |
| 480 | K | 74.9 | Confident | 75.2 | Confident | 180 Ų | 180 | 63.1 Ų | 63.1 | 78% | 0.783 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65 | -39.6 | 177.9 | -66.8 | -177.3 | -179.6 | 177.9 | 0 | 112.7 | G478 R484 | G478-K480 PolarHBondContact O-N 2.81Å; K480-R484 WeakPolarHBondContact O-CB 3.15Å; K480-R484 PolarHBondContact O-N 3.45Å |
| 481 | W | 73.6 | Confident | 75.2 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 19% | 0.186 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 174.8 | -178.4 | 79 | 0 | 0 | 0 | 110.8 | T475 G478 L483 R484 V485 T553 | T475-W481 WeakPolarHBondContact O-CB 3.19Å; G478-W481 PolarHBondContact O-N 3.21Å; W481-L483 PolarHBondContact O-N 3Å; W481-R484 WeakPolarHBondContact O-CB 3.19Å; W481-R484 PolarHBondContact O-N 3.48Å; W481-V485 HydrophobicContact CD2-CG2 3.86Å; W481-V485 HydrophobicContact CE3-CG2 4.15Å; W481-V485 HydrophobicContact CG-CG2 4.46Å; W481-V485 HydrophobicContact CH2-CG2 4.02Å; W481-V485 HydrophobicContact CZ2-CG2 3.69Å; W481-V485 HydrophobicContact CZ3-CG2 4.23Å; W481-V485 WeakPolarHBondContact O-CG2 3.45Å; W481-V485 PolarHBondContact O-N 2.86Å; W481-T553 PolarHBondContact NE1-O 2.97Å |
| 482 | W | 75.2 | Confident | 75.4 | Confident | 157 Ų | 157 | 65.5 Ų | 65.5 | 60% | 0.595 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.6 | -44.9 | 176.3 | -81.6 | 103.3 | 0 | 0 | 0 | 112.8 | G478 S479 R484 V485 V486 | G478-W482 PolarHBondContact O-N 3.24Å; S479-W482 PolarHBondContact O-N 2.92Å; W482-R484 VanDerWaalsContact C-N 3.33Å; W482-R484 PolarHBondContact O-N 2.88Å; W482-V485 PolarHBondContact O-N 3.23Å; W482-V486 WeakPolarHBondContact O-CB 3.28Å; W482-V486 VanDerWaalsContact O-CG2 3.3Å; W482-V486 WeakPolarHBondContact O-CG2 3.44Å; W482-V486 PolarHBondContact O-N 3.5Å |
| 483 | L | 81.9 | Confident | 75.2 | Confident | 128 Ų | 128 | 68.6 Ų | 68.6 | 67% | 0.67 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.3 | -41.9 | 175.2 | -75.6 | 169.5 | 0 | 0 | 0 | 111.7 | S479 W481 G487 | S479-L483 WeakPolarHBondContact O-CB 3.27Å; S479-L483 VanDerWaalsContact O-CG 3.25Å; S479-L483 WeakPolarHBondContact O-CG 3.25Å; S479-L483 PolarHBondContact O-N 2.86Å; W481-L483 PolarHBondContact O-N 3Å; L483-G487 PolarHBondContact O-N 3.1Å |
| 484 | R | 82.9 | Confident | 75.3 | Confident | 88 Ų | 88 | 72.9 Ų | 72.9 | 33% | 0.332 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 173.9 | 179.5 | -174.5 | -66.4 | 168.1 | -3 | 111.7 | T475 K480 W481 W482 V486 G487 I488 R554 | T475-R484 VanDerWaalsContact CB-NH1 3.34Å; K480-R484 WeakPolarHBondContact O-CB 3.15Å; K480-R484 PolarHBondContact O-N 3.45Å; W481-R484 WeakPolarHBondContact O-CB 3.19Å; W481-R484 PolarHBondContact O-N 3.48Å; W482-R484 VanDerWaalsContact C-N 3.33Å; W482-R484 PolarHBondContact O-N 2.88Å; R484-V486 VanDerWaalsContact C-N 3.35Å; R484-V486 PolarHBondContact O-N 3.32Å; R484-G487 PolarHBondContact O-N 2.8Å; R484-I488 HydrophobicContact CG-CD1 3.66Å; R484-I488 HydrophobicContact CG-CG1 4.31Å; R484-I488 WeakPolarHBondContact O-CB 3.17Å; R484-I488 VanDerWaalsContact O-CG1 3.27Å; R484-I488 WeakPolarHBondContact O-CG1 3.38Å; R484-I488 PolarHBondContact O-N 3.41Å; R484-R554 VanDerWaalsContact NH1-NH1 3.18Å |
| 485 | V | 81.8 | Confident | 75.6 | Confident | 3 Ų | 3 | 72.1 Ų | 72.1 | 2% | 0.018 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 179.3 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | W481 W482 R489 T553 | W481-V485 HydrophobicContact CD2-CG2 3.86Å; W481-V485 HydrophobicContact CE3-CG2 4.15Å; W481-V485 HydrophobicContact CG-CG2 4.46Å; W481-V485 HydrophobicContact CH2-CG2 4.02Å; W481-V485 HydrophobicContact CZ2-CG2 3.69Å; W481-V485 HydrophobicContact CZ3-CG2 4.23Å; W481-V485 WeakPolarHBondContact O-CG2 3.45Å; W481-V485 PolarHBondContact O-N 2.86Å; W482-V485 PolarHBondContact O-N 3.23Å; V485-R489 WeakPolarHBondContact O-CB 3.47Å; V485-R489 VanDerWaalsContact O-CG 3.28Å; V485-R489 WeakPolarHBondContact O-CG 3.49Å; V485-R489 PolarHBondContact O-N 2.9Å; V485-T553 HydrophobicContact CG2-CG2 4.01Å |
| 486 | V | 84.9 | Confident | 76.1 | Confident | 82 Ų | 82 | 71.1 Ų | 71.1 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 176.5 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | W482 R484 I488 R489 V490 | W482-V486 WeakPolarHBondContact O-CB 3.28Å; W482-V486 VanDerWaalsContact O-CG2 3.3Å; W482-V486 WeakPolarHBondContact O-CG2 3.44Å; W482-V486 PolarHBondContact O-N 3.5Å; R484-V486 VanDerWaalsContact C-N 3.35Å; R484-V486 PolarHBondContact O-N 3.32Å; V486-I488 PolarHBondContact O-N 3.36Å; V486-R489 PolarHBondContact O-N 2.98Å; V486-V490 HydrophobicContact CG1-CG2 4.3Å; V486-V490 WeakPolarHBondContact O-CB 3.47Å; V486-V490 VanDerWaalsContact O-CG2 3.31Å; V486-V490 WeakPolarHBondContact O-CG2 3.41Å; V486-V490 PolarHBondContact O-N 3.09Å |
| 487 | G | 85.7 | Confident | 76.5 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 42% | 0.423 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59 | -46.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L483 R484 V490 A491 | L483-G487 PolarHBondContact O-N 3.1Å; R484-G487 PolarHBondContact O-N 2.8Å; G487-V490 PolarHBondContact O-N 2.99Å; G487-A491 WeakPolarHBondContact O-CB 3.28Å; G487-A491 PolarHBondContact O-N 3.48Å |
| 488 | I | 85.7 | Confident | 76.9 | Confident | 28 Ų | 28 | 76.9 Ų | 76.9 | 14% | 0.144 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 176.5 | -69.5 | 170.2 | 0 | 0 | 0 | 110.7 | R484 V486 A491 V492 W552 T553 | R484-I488 HydrophobicContact CG-CD1 3.66Å; R484-I488 HydrophobicContact CG-CG1 4.31Å; R484-I488 WeakPolarHBondContact O-CB 3.17Å; R484-I488 VanDerWaalsContact O-CG1 3.27Å; R484-I488 WeakPolarHBondContact O-CG1 3.38Å; R484-I488 PolarHBondContact O-N 3.41Å; V486-I488 PolarHBondContact O-N 3.36Å; I488-A491 WeakPolarHBondContact O-CB 3.45Å; I488-A491 PolarHBondContact O-N 3.44Å; I488-V492 HydrophobicContact CG2-CG2 4.36Å; I488-V492 VanDerWaalsContact O-CG2 3.32Å; I488-V492 WeakPolarHBondContact O-CG2 3.32Å; I488-V492 PolarHBondContact O-N 3.11Å; I488-W552 HydrophobicContact CD1-CB 3.9Å; I488-T553 HydrophobicContact CD1-CG2 4.01Å; I488-T553 HydrophobicContact CG2-CG2 4.42Å |
| 489 | R | 84.6 | Confident | 76.9 | Confident | 94 Ų | 94 | 76.6 Ų | 76.6 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | -179.2 | -75.1 | 179.3 | 178.4 | 168.8 | 7.8 | 112.6 | V485 V486 A491 V492 V493 E550 | V485-R489 WeakPolarHBondContact O-CB 3.47Å; V485-R489 VanDerWaalsContact O-CG 3.28Å; V485-R489 WeakPolarHBondContact O-CG 3.49Å; V485-R489 PolarHBondContact O-N 2.9Å; V486-R489 PolarHBondContact O-N 2.98Å; R489-A491 VanDerWaalsContact C-N 3.32Å; R489-V492 PolarHBondContact O-N 2.99Å; R489-V493 WeakPolarHBondContact O-CB 3.48Å; R489-V493 VanDerWaalsContact O-CG2 3.27Å; R489-V493 WeakPolarHBondContact O-CG2 3.28Å; R489-V493 PolarHBondContact O-N 3.08Å; R489-E550 IonicContact NE-OE1 3.28Å |
| 490 | V | 84 | Confident | 76.5 | Confident | 78 Ų | 78 | 72.6 Ų | 72.6 | 47% | 0.473 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 172.2 | 171.6 | 0 | 0 | 0 | 0 | 109.7 | V486 G487 V492 V493 L494 | V486-V490 HydrophobicContact CG1-CG2 4.3Å; V486-V490 WeakPolarHBondContact O-CB 3.47Å; V486-V490 VanDerWaalsContact O-CG2 3.31Å; V486-V490 WeakPolarHBondContact O-CG2 3.41Å; V486-V490 PolarHBondContact O-N 3.09Å; G487-V490 PolarHBondContact O-N 2.99Å; V490-V492 PolarHBondContact O-N 3Å; V490-V493 PolarHBondContact O-N 2.83Å; V490-L494 HydrophobicContact CG1-CD1 3.87Å; V490-L494 HydrophobicContact CG1-CG 4.27Å; V490-L494 WeakPolarHBondContact O-CB 3.39Å; V490-L494 VanDerWaalsContact O-CG 3.25Å; V490-L494 WeakPolarHBondContact O-CG 3.31Å; V490-L494 PolarHBondContact O-N 2.95Å |
| 491 | A | 82 | Confident | 75.8 | Confident | 52 Ų | 52 | 64.2 Ų | 64.2 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | G487 I488 R489 L494 L495 | G487-A491 WeakPolarHBondContact O-CB 3.28Å; G487-A491 PolarHBondContact O-N 3.48Å; I488-A491 WeakPolarHBondContact O-CB 3.45Å; I488-A491 PolarHBondContact O-N 3.44Å; R489-A491 VanDerWaalsContact C-N 3.32Å; A491-L494 PolarHBondContact O-N 3.35Å; A491-L495 VanDerWaalsContact O-CB 3.3Å; A491-L495 WeakPolarHBondContact O-CB 3.49Å; A491-L495 PolarHBondContact O-N 2.79Å |
| 492 | V | 80.1 | Confident | 74.8 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 175.7 | 170.4 | 0 | 0 | 0 | 0 | 111 | I488 R489 V490 L495 A496 V546 S549 F572 | I488-V492 HydrophobicContact CG2-CG2 4.36Å; I488-V492 VanDerWaalsContact O-CG2 3.32Å; I488-V492 WeakPolarHBondContact O-CG2 3.32Å; I488-V492 PolarHBondContact O-N 3.11Å; R489-V492 PolarHBondContact O-N 2.99Å; V490-V492 PolarHBondContact O-N 3Å; V492-L495 PolarHBondContact O-N 2.89Å; V492-A496 VanDerWaalsContact O-CB 3.3Å; V492-A496 WeakPolarHBondContact O-CB 3.43Å; V492-A496 PolarHBondContact O-N 3.34Å; V492-V546 HydrophobicContact CG1-CG2 4.04Å; V492-S549 WeakPolarHBondContact CG2-OG 3.17Å; V492-F572 HydrophobicContact CG1-CD2 4.42Å; V492-F572 HydrophobicContact CG1-CE2 3.91Å |
| 493 | V | 76.4 | Confident | 73.7 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 175.6 | 165.5 | 0 | 0 | 0 | 0 | 110.4 | R489 V490 A496 F497 | R489-V493 WeakPolarHBondContact O-CB 3.48Å; R489-V493 VanDerWaalsContact O-CG2 3.27Å; R489-V493 WeakPolarHBondContact O-CG2 3.28Å; R489-V493 PolarHBondContact O-N 3.08Å; V490-V493 PolarHBondContact O-N 2.83Å; V493-A496 WeakPolarHBondContact O-CB 3.34Å; V493-A496 PolarHBondContact O-N 3.14Å; V493-F497 HydrophobicContact CG1-CD2 3.74Å; V493-F497 HydrophobicContact CG1-CE2 3.26Å; V493-F497 HydrophobicContact CG1-CZ 4.21Å; V493-F497 WeakPolarHBondContact O-CD2 3.36Å; V493-F497 WeakPolarHBondContact O-CG 3.28Å; V493-F497 PolarHBondContact O-N 3.28Å |
| 494 | L | 75.7 | Confident | 72.2 | Confident | 103 Ų | 103 | 55.8 Ų | 55.8 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 174 | -70.4 | 173.2 | 0 | 0 | 0 | 112.7 | V490 A491 A496 F497 V498 | V490-L494 HydrophobicContact CG1-CD1 3.87Å; V490-L494 HydrophobicContact CG1-CG 4.27Å; V490-L494 WeakPolarHBondContact O-CB 3.39Å; V490-L494 VanDerWaalsContact O-CG 3.25Å; V490-L494 WeakPolarHBondContact O-CG 3.31Å; V490-L494 PolarHBondContact O-N 2.95Å; A491-L494 PolarHBondContact O-N 3.35Å; L494-A496 VanDerWaalsContact C-N 3.31Å; L494-A496 PolarHBondContact O-N 3.36Å; L494-F497 HydrophobicContact CD2-CD2 4.46Å; L494-F497 WeakPolarHBondContact O-CB 3.37Å; L494-F497 PolarHBondContact O-N 3.48Å; L494-F497 VanDerWaalsContact O-N 3.16Å; L494-V498 PolarHBondContact O-N 3.38Å |
| 495 | L | 72.8 | Confident | 70.8 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 42% | 0.424 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.7 | -37.9 | 175.7 | -176.1 | 59.7 | 0 | 0 | 0 | 111.2 | A491 V492 F497 V498 L499 L545 | A491-L495 VanDerWaalsContact O-CB 3.3Å; A491-L495 WeakPolarHBondContact O-CB 3.49Å; A491-L495 PolarHBondContact O-N 2.79Å; V492-L495 PolarHBondContact O-N 2.89Å; L495-F497 VanDerWaalsContact C-N 3.34Å; L495-V498 PolarHBondContact O-N 2.81Å; L495-L499 WeakPolarHBondContact O-CB 3.34Å; L495-L499 PolarHBondContact O-N 3.2Å; L495-L545 HydrophobicContact CD2-CD1 3.64Å; L495-L545 HydrophobicContact CD2-CD2 3.95Å; L495-L545 HydrophobicContact CD2-CG 4.25Å; L495-L545 HydrophobicContact CG-CD1 4.14Å |
| 496 | A | 67.9 | Low | 69.5 | Low | 9 Ų | 9 | 54.4 Ų | 54.4 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.9 | -51.8 | 169 | 0 | 0 | 0 | 0 | 0 | 110 | V492 V493 L494 V498 L499 T500 F572 | V492-A496 VanDerWaalsContact O-CB 3.3Å; V492-A496 WeakPolarHBondContact O-CB 3.43Å; V492-A496 PolarHBondContact O-N 3.34Å; V493-A496 WeakPolarHBondContact O-CB 3.34Å; V493-A496 PolarHBondContact O-N 3.14Å; L494-A496 VanDerWaalsContact C-N 3.31Å; L494-A496 PolarHBondContact O-N 3.36Å; A496-V498 PolarHBondContact O-N 3.48Å; A496-L499 PolarHBondContact O-N 3.41Å; A496-T500 HydrophobicContact CB-CG2 3.78Å; A496-T500 WeakPolarHBondContact O-CA 3.34Å; A496-T500 WeakPolarHBondContact O-CB 2.86Å; A496-T500 WeakPolarHBondContact O-CG2 3.4Å; A496-T500 PolarHBondContact O-N 3.23Å; A496-T500 PolarHBondContact O-OG1 3.15Å; A496-F572 HydrophobicContact CB-CD2 4.46Å; A496-F572 HydrophobicContact CB-CE1 4.23Å; A496-F572 HydrophobicContact CB-CE2 3.25Å; A496-F572 HydrophobicContact CB-CZ 3.1Å |
| 497 | F | 66.8 | Low | 68 | Low | 93 Ų | 93 | 53.1 Ų | 53.1 | 41% | 0.408 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -52.8 | -35.2 | -178 | -81 | -67.1 | 0 | 0 | 0 | 112.8 | V493 L494 L495 F588 | V493-F497 HydrophobicContact CG1-CD2 3.74Å; V493-F497 HydrophobicContact CG1-CE2 3.26Å; V493-F497 HydrophobicContact CG1-CZ 4.21Å; V493-F497 WeakPolarHBondContact O-CD2 3.36Å; V493-F497 WeakPolarHBondContact O-CG 3.28Å; V493-F497 PolarHBondContact O-N 3.28Å; L494-F497 HydrophobicContact CD2-CD2 4.46Å; L494-F497 WeakPolarHBondContact O-CB 3.37Å; L494-F497 PolarHBondContact O-N 3.48Å; L494-F497 VanDerWaalsContact O-N 3.16Å; L495-F497 VanDerWaalsContact C-N 3.34Å; F497-F588 HydrophobicContact CD1-CB 4.07Å; F497-F588 HydrophobicContact CD1-CG 4.49Å; F497-F588 HydrophobicContact CE1-CB 4.31Å; F497-F588 HydrophobicContact CE1-CG 4.34Å |
| 498 | V | 66.3 | Low | 66.5 | Low | 113 Ų | 113 | 54.5 Ų | 54.5 | 69% | 0.685 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -74.5 | -44.8 | 175.1 | -179.4 | 0 | 0 | 0 | 0 | 112.1 | L494 L495 A496 | L494-V498 PolarHBondContact O-N 3.38Å; L495-V498 PolarHBondContact O-N 2.81Å; A496-V498 PolarHBondContact O-N 3.48Å |
| 499 | L | 63.4 | Low | 65.1 | Low | 40 Ų | 40 | 54.2 Ų | 54.2 | 21% | 0.209 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -89.4 | -18.9 | -170.4 | -164.9 | 67.7 | 0 | 0 | 0 | 114.3 | L495 A496 S501 V538 L541 L542 L545 | L495-L499 WeakPolarHBondContact O-CB 3.34Å; L495-L499 PolarHBondContact O-N 3.2Å; A496-L499 PolarHBondContact O-N 3.41Å; L499-S501 PolarHBondContact O-N 3.47Å; L499-V538 HydrophobicContact CG-CG1 4.39Å; L499-L541 HydrophobicContact CD1-CD2 4.48Å; L499-L541 HydrophobicContact CD2-CD2 3.85Å; L499-L541 HydrophobicContact CD2-CG 4.08Å; L499-L542 HydrophobicContact CB-CD2 3.83Å; L499-L542 HydrophobicContact CD2-CD2 3.32Å; L499-L542 HydrophobicContact CD2-CG 3.89Å; L499-L542 HydrophobicContact CG-CD2 3.8Å; L499-L542 HydrophobicContact CG-CG 4.39Å; L499-L545 HydrophobicContact CD2-CD1 3.87Å |
| 500 | T | 60.1 | Low | 63.8 | Low | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.067 | 29% | 0.293 | C | S | . | . | trans | -75.6 | 12.7 | -171.2 | 48.8 | 0 | 0 | 0 | 0 | 115.4 | A496 P502 L542 F572 T576 | A496-T500 HydrophobicContact CB-CG2 3.78Å; A496-T500 WeakPolarHBondContact O-CA 3.34Å; A496-T500 WeakPolarHBondContact O-CB 2.86Å; A496-T500 WeakPolarHBondContact O-CG2 3.4Å; A496-T500 PolarHBondContact O-N 3.23Å; A496-T500 PolarHBondContact O-OG1 3.15Å; T500-P502 WeakPolarHBondContact O-CD 3.2Å; T500-L542 HydrophobicContact CG2-CD1 4.27Å; T500-F572 HydrophobicContact CG2-CE1 4.47Å; T500-F572 HydrophobicContact CG2-CZ 4.48Å; T500-T576 HydrophobicContact CG2-CG2 3.13Å | ||
| 501 | S | 59.9 | Low | 62.3 | Low | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.028 | 31% | 0.31 | C | S | . | . | trans | -110 | 66.8 | 178.2 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | L499 V503 Y504 I505 | L499-S501 PolarHBondContact O-N 3.47Å; S501-V503 PolarHBondContact O-N 3.5Å; S501-V503 VanDerWaalsContact O-N 3.1Å; S501-Y504 CarbonylContact O-C 3.56Å; S501-Y504 WeakPolarHBondContact O-CA 3.47Å; S501-Y504 WeakPolarHBondContact O-CB 3.39Å; S501-Y504 PolarHBondContact O-N 3.32Å; S501-Y504 WeakPolarHBondContact OG-CB 3.39Å; S501-Y504 WeakPolarHBondContact OG-CD1 3.29Å; S501-I505 WeakPolarHBondContact O-CG1 3.44Å; S501-I505 PolarHBondContact O-N 3.14Å | ||
| 502 | P | 52.7 | Low | 61.1 | Low | 11 Ų | 11 | 59.9 Ų | 59.9 | 7% | 0.071 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -49 | -37.3 | 169.2 | -21.5 | 25.9 | 0 | 0 | 0 | 111.5 | T500 L506 L535 V538 | T500-P502 WeakPolarHBondContact O-CD 3.2Å; P502-L506 WeakPolarHBondContact O-CB 3.37Å; P502-L506 WeakPolarHBondContact O-CD1 3.24Å; P502-L506 VanDerWaalsContact O-CG 3.26Å; P502-L506 WeakPolarHBondContact O-CG 3.46Å; P502-L506 PolarHBondContact O-N 3.46Å; P502-L535 HydrophobicContact CB-CB 4.45Å; P502-L535 HydrophobicContact CB-CD1 3.71Å; P502-L535 HydrophobicContact CG-CD1 3.35Å; P502-V538 HydrophobicContact CG-CG1 4.41Å |
| 503 | V | 51.4 | Low | 59.9 | Low | 35 Ų | 35 | 59.6 Ų | 59.6 | 21% | 0.212 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.2 | -40.3 | 175.3 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | S501 L506 T507 T586 | S501-V503 PolarHBondContact O-N 3.5Å; S501-V503 VanDerWaalsContact O-N 3.1Å; V503-L506 CarbonylContact O-C 3.46Å; V503-L506 WeakPolarHBondContact O-CB 3.36Å; V503-L506 PolarHBondContact O-N 3.4Å; V503-T507 WeakPolarHBondContact O-CG2 3.49Å; V503-T507 PolarHBondContact O-N 2.86Å; V503-T507 PolarHBondContact O-OG1 3.32Å; V503-T586 HydrophobicContact CG1-CG2 3.82Å |
| 504 | Y | 50.9 | Low | 59 | Low | 110 Ų | 110 | 61.7 Ų | 61.7 | 43% | 0.431 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.4 | -39 | 174.9 | -177.4 | -112.6 | 0 | 0 | 0 | 112 | S501 L506 T507 I508 | S501-Y504 CarbonylContact O-C 3.56Å; S501-Y504 WeakPolarHBondContact O-CA 3.47Å; S501-Y504 WeakPolarHBondContact O-CB 3.39Å; S501-Y504 PolarHBondContact O-N 3.32Å; S501-Y504 WeakPolarHBondContact OG-CB 3.39Å; S501-Y504 WeakPolarHBondContact OG-CD1 3.29Å; Y504-L506 VanDerWaalsContact C-N 3.31Å; Y504-L506 PolarHBondContact O-N 3.39Å; Y504-T507 VanDerWaalsContact C-OG1 3.32Å; Y504-T507 WeakPolarHBondContact CA-OG1 3.38Å; Y504-T507 CarbonylContact O-C 3.43Å; Y504-T507 PolarHBondContact O-N 3.39Å; Y504-T507 VanDerWaalsContact O-N 3.11Å; Y504-T507 PolarHBondContact O-OG1 3.42Å; Y504-I508 HydrophobicContact CD1-CD1 3.49Å; Y504-I508 VanDerWaalsContact CD1-CD1 3.49Å; Y504-I508 HydrophobicContact CD1-CG1 4.26Å; Y504-I508 HydrophobicContact CE1-CD1 3.25Å; Y504-I508 HydrophobicContact CE1-CG1 4.06Å; Y504-I508 HydrophobicContact CE2-CG1 4.5Å; Y504-I508 HydrophobicContact CG-CD1 4.24Å; Y504-I508 WeakPolarHBondContact O-CG1 3.41Å; Y504-I508 PolarHBondContact O-N 2.86Å |
| 505 | I | 53.8 | Low | 58.1 | Low | 46 Ų | 46 | 58.2 Ų | 58.2 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.6 | -50.4 | 170.6 | -65.3 | 169.7 | 0 | 0 | 0 | 108.1 | S501 T507 I508 V509 I534 V538 | S501-I505 WeakPolarHBondContact O-CG1 3.44Å; S501-I505 PolarHBondContact O-N 3.14Å; I505-T507 VanDerWaalsContact C-N 3.32Å; I505-T507 PolarHBondContact O-N 2.79Å; I505-I508 WeakPolarHBondContact O-CB 3.25Å; I505-I508 PolarHBondContact O-N 3.31Å; I505-I508 VanDerWaalsContact O-N 3.13Å; I505-V509 HydrophobicContact CG2-CG2 4.26Å; I505-V509 VanDerWaalsContact O-CG2 3.25Å; I505-V509 WeakPolarHBondContact O-CG2 3.27Å; I505-V509 PolarHBondContact O-N 2.85Å; I505-I534 HydrophobicContact CG2-CG2 4.28Å; I505-V538 HydrophobicContact CD1-CG2 3.95Å |
| 506 | L | 55.2 | Low | 57.5 | Low | 17 Ų | 17 | 60.3 Ų | 60.3 | 9% | 0.089 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.6 | -38.8 | 174.9 | -75.1 | 162.3 | 0 | 0 | 0 | 112.9 | P502 V503 Y504 V509 N510 P531 I534 | P502-L506 WeakPolarHBondContact O-CB 3.37Å; P502-L506 WeakPolarHBondContact O-CD1 3.24Å; P502-L506 VanDerWaalsContact O-CG 3.26Å; P502-L506 WeakPolarHBondContact O-CG 3.46Å; P502-L506 PolarHBondContact O-N 3.46Å; V503-L506 CarbonylContact O-C 3.46Å; V503-L506 WeakPolarHBondContact O-CB 3.36Å; V503-L506 PolarHBondContact O-N 3.4Å; Y504-L506 VanDerWaalsContact C-N 3.31Å; Y504-L506 PolarHBondContact O-N 3.39Å; L506-V509 PolarHBondContact O-N 3.45Å; L506-N510 WeakPolarHBondContact O-CB 3.11Å; L506-N510 VanDerWaalsContact O-CG 3.28Å; L506-N510 PolarHBondContact O-N 2.87Å; L506-N510 PolarHBondContact O-ND2 3.27Å; L506-P531 HydrophobicContact CD1-CB 3.63Å; L506-P531 HydrophobicContact CD1-CG 4.24Å; L506-P531 HydrophobicContact CD2-CB 4.09Å; L506-P531 HydrophobicContact CD2-CG 3.93Å; L506-I534 HydrophobicContact CD2-CD1 3.94Å |
| 507 | T | 53 | Low | 56.9 | Low | 55 Ų | 55 | 70 Ų | 70 | 34% | 0.337 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.1 | -36.6 | 175 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | V503 Y504 I505 F511 | V503-T507 WeakPolarHBondContact O-CG2 3.49Å; V503-T507 PolarHBondContact O-N 2.86Å; V503-T507 PolarHBondContact O-OG1 3.32Å; Y504-T507 VanDerWaalsContact C-OG1 3.32Å; Y504-T507 WeakPolarHBondContact CA-OG1 3.38Å; Y504-T507 CarbonylContact O-C 3.43Å; Y504-T507 PolarHBondContact O-N 3.39Å; Y504-T507 VanDerWaalsContact O-N 3.11Å; Y504-T507 PolarHBondContact O-OG1 3.42Å; I505-T507 VanDerWaalsContact C-N 3.32Å; I505-T507 PolarHBondContact O-N 2.79Å; T507-F511 WeakPolarHBondContact O-CB 3.41Å; T507-F511 PolarHBondContact O-N 2.89Å |
| 508 | I | 54.6 | Low | 56.3 | Low | 69 Ų | 69 | 68.8 Ų | 68.8 | 35% | 0.354 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.3 | -49.1 | 174.2 | -72.1 | 164.1 | 0 | 0 | 0 | 109 | Y504 I505 N510 F511 T512 | Y504-I508 HydrophobicContact CD1-CD1 3.49Å; Y504-I508 VanDerWaalsContact CD1-CD1 3.49Å; Y504-I508 HydrophobicContact CD1-CG1 4.26Å; Y504-I508 HydrophobicContact CE1-CD1 3.25Å; Y504-I508 HydrophobicContact CE1-CG1 4.06Å; Y504-I508 HydrophobicContact CE2-CG1 4.5Å; Y504-I508 HydrophobicContact CG-CD1 4.24Å; Y504-I508 WeakPolarHBondContact O-CG1 3.41Å; Y504-I508 PolarHBondContact O-N 2.86Å; I505-I508 WeakPolarHBondContact O-CB 3.25Å; I505-I508 PolarHBondContact O-N 3.31Å; I505-I508 VanDerWaalsContact O-N 3.13Å; I508-N510 VanDerWaalsContact C-N 3.28Å; I508-N510 PolarHBondContact O-N 3.49Å; I508-F511 CarbonylContact O-C 3.57Å; I508-F511 PolarHBondContact O-N 3.35Å; I508-T512 HydrophobicContact CG2-CG2 4.04Å; I508-T512 WeakPolarHBondContact O-CG2 3.13Å; I508-T512 PolarHBondContact O-N 3.48Å; I508-T512 PolarHBondContact O-OG1 2.87Å; I508-T512 VanDerWaalsContact O-OG1 3.06Å |
| 509 | V | 55.7 | Low | 55.6 | Low | 22 Ų | 22 | 64.4 Ų | 64.4 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.4 | -32.7 | -176.7 | -167.1 | 0 | 0 | 0 | 0 | 111.4 | I505 L506 T512 L514 F515 | I505-V509 HydrophobicContact CG2-CG2 4.26Å; I505-V509 VanDerWaalsContact O-CG2 3.25Å; I505-V509 WeakPolarHBondContact O-CG2 3.27Å; I505-V509 PolarHBondContact O-N 2.85Å; L506-V509 PolarHBondContact O-N 3.45Å; V509-T512 PolarHBondContact O-OG1 3.27Å; V509-L514 HydrophobicContact CG1-CB 3.78Å; V509-L514 HydrophobicContact CG1-CD2 3.79Å; V509-L514 HydrophobicContact CG1-CG 4.37Å; V509-L514 PolarHBondContact O-N 3.24Å; V509-F515 HydrophobicContact CB-CD2 3.94Å; V509-F515 HydrophobicContact CB-CE2 3.62Å; V509-F515 HydrophobicContact CB-CZ 4.45Å; V509-F515 HydrophobicContact CG1-CD1 4.47Å; V509-F515 HydrophobicContact CG1-CD2 3.21Å; V509-F515 HydrophobicContact CG1-CE1 4.32Å; V509-F515 HydrophobicContact CG1-CE2 3.04Å; V509-F515 HydrophobicContact CG1-CG 3.93Å; V509-F515 HydrophobicContact CG1-CZ 3.61Å; V509-F515 HydrophobicContact CG2-CE2 4.42Å |
| 510 | N | 56.4 | Low | 55.2 | Low | 70 Ų | 70 | 71.9 Ų | 71.9 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.6 | -37.6 | 169.4 | -75.8 | -14.8 | 0 | 0 | 0 | 112.4 | L506 I508 G513 | L506-N510 WeakPolarHBondContact O-CB 3.11Å; L506-N510 VanDerWaalsContact O-CG 3.28Å; L506-N510 PolarHBondContact O-N 2.87Å; L506-N510 PolarHBondContact O-ND2 3.27Å; I508-N510 VanDerWaalsContact C-N 3.28Å; I508-N510 PolarHBondContact O-N 3.49Å; N510-G513 PolarHBondContact O-N 2.82Å |
| 511 | F | 53.4 | Low | 54.8 | Low | 189 Ų | 189 | 78.2 Ų | 78.2 | 83% | 0.829 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -72.5 | -37.8 | -179.4 | -173.9 | -93.2 | 0 | 0 | 0 | 112.5 | T507 I508 G513 | T507-F511 WeakPolarHBondContact O-CB 3.41Å; T507-F511 PolarHBondContact O-N 2.89Å; I508-F511 CarbonylContact O-C 3.57Å; I508-F511 PolarHBondContact O-N 3.35Å; F511-G513 PolarHBondContact O-N 3.45Å |
| 512 | T | 56.6 | Low | 54.8 | Low | 85 Ų | 85 | 79.7 Ų | 79.7 | 52% | 0.521 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -6.9 | 178.4 | 56.6 | 0 | 0 | 0 | 0 | 113 | I508 V509 L514 | I508-T512 HydrophobicContact CG2-CG2 4.04Å; I508-T512 WeakPolarHBondContact O-CG2 3.13Å; I508-T512 PolarHBondContact O-N 3.48Å; I508-T512 PolarHBondContact O-OG1 2.87Å; I508-T512 VanDerWaalsContact O-OG1 3.06Å; V509-T512 PolarHBondContact O-OG1 3.27Å; T512-L514 PolarHBondContact O-N 3.29Å; T512-L514 VanDerWaalsContact O-N 3.08Å |
| 513 | G | 55.1 | Low | 55.1 | Low | 18 Ų | 18 | 88.7 Ų | 88.7 | 19% | 0.186 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 16.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N510 F511 F515 D516 | N510-G513 PolarHBondContact O-N 2.82Å; F511-G513 PolarHBondContact O-N 3.45Å; G513-F515 PolarHBondContact O-N 2.94Å; G513-F515 VanDerWaalsContact O-N 3.13Å; G513-D516 WeakPolarHBondContact CA-OD2 3.39Å; G513-D516 VanDerWaalsContact O-CB 3.29Å; G513-D516 WeakPolarHBondContact O-CB 3.24Å; G513-D516 PolarHBondContact O-N 3.42Å |
| 514 | L | 57.2 | Low | 55.5 | Low | 114 Ų | 114 | 90.2 Ų | 90.2 | 60% | 0.597 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -57 | -33.5 | 179.1 | -170.2 | 80.7 | 0 | 0 | 0 | 110.5 | V509 T512 | V509-L514 HydrophobicContact CG1-CB 3.78Å; V509-L514 HydrophobicContact CG1-CD2 3.79Å; V509-L514 HydrophobicContact CG1-CG 4.37Å; V509-L514 PolarHBondContact O-N 3.24Å; T512-L514 PolarHBondContact O-N 3.29Å; T512-L514 VanDerWaalsContact O-N 3.08Å |
| 515 | F | 58 | Low | 56.2 | Low | 31 Ų | 31 | 88.3 Ų | 88.3 | 14% | 0.136 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -81 | -11 | 174.5 | -75.6 | -48.3 | 0 | 0 | 0 | 114.8 | V509 G513 W517 L518 G519 I526 V530 | V509-F515 HydrophobicContact CB-CD2 3.94Å; V509-F515 HydrophobicContact CB-CE2 3.62Å; V509-F515 HydrophobicContact CB-CZ 4.45Å; V509-F515 HydrophobicContact CG1-CD1 4.47Å; V509-F515 HydrophobicContact CG1-CD2 3.21Å; V509-F515 HydrophobicContact CG1-CE1 4.32Å; V509-F515 HydrophobicContact CG1-CE2 3.04Å; V509-F515 HydrophobicContact CG1-CG 3.93Å; V509-F515 HydrophobicContact CG1-CZ 3.61Å; V509-F515 HydrophobicContact CG2-CE2 4.42Å; G513-F515 PolarHBondContact O-N 2.94Å; G513-F515 VanDerWaalsContact O-N 3.13Å; F515-W517 VanDerWaalsContact C-N 3.31Å; F515-W517 PolarHBondContact O-N 2.81Å; F515-L518 HydrophobicContact CD1-CB 4.5Å; F515-L518 HydrophobicContact CD1-CD1 3.79Å; F515-L518 HydrophobicContact CE1-CD1 4.09Å; F515-L518 CarbonylContact O-C 3.6Å; F515-L518 PolarHBondContact O-N 2.98Å; F515-G519 WeakPolarHBondContact O-CA 3.47Å; F515-G519 PolarHBondContact O-N 2.94Å; F515-I526 HydrophobicContact CB-CG2 3.8Å; F515-I526 HydrophobicContact CD1-CG1 4.4Å; F515-I526 HydrophobicContact CD1-CG2 3.61Å; F515-I526 HydrophobicContact CD2-CG2 4.01Å; F515-I526 HydrophobicContact CE1-CG2 4.24Å; F515-I526 HydrophobicContact CG-CG2 3.54Å; F515-V530 HydrophobicContact CE1-CG1 4.2Å; F515-V530 HydrophobicContact CE2-CG1 4.15Å; F515-V530 HydrophobicContact CZ-CG1 3.55Å |
| 516 | D | 59.9 | Low | 56.6 | Low | 124 Ų | 124 | 87.1 Ų | 87.1 | 66% | 0.663 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67.5 | -36.5 | 176.9 | -69 | -26.6 | 0 | 0 | 0 | 111 | G513 L518 G519 | G513-D516 WeakPolarHBondContact CA-OD2 3.39Å; G513-D516 VanDerWaalsContact O-CB 3.29Å; G513-D516 WeakPolarHBondContact O-CB 3.24Å; G513-D516 PolarHBondContact O-N 3.42Å; D516-L518 VanDerWaalsContact C-N 3.33Å; D516-L518 PolarHBondContact O-N 3.34Å; D516-G519 PolarHBondContact O-N 3.31Å |
| 517 | W | 55.7 | Low | 56.9 | Low | 214 Ų | 214 | 87.4 Ų | 87.4 | 81% | 0.811 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.1 | -40.1 | 173.4 | -174.3 | 76.7 | 0 | 0 | 0 | 111.8 | F515 | F515-W517 VanDerWaalsContact C-N 3.31Å; F515-W517 PolarHBondContact O-N 2.81Å |
| 518 | L | 52.3 | Low | 57.6 | Low | 66 Ų | 66 | 86.3 Ų | 86.3 | 35% | 0.346 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -76.6 | -25.2 | 174.9 | -74.9 | 162 | 0 | 0 | 0 | 112.9 | F515 D516 K520 I521 S522 I526 | F515-L518 HydrophobicContact CD1-CB 4.5Å; F515-L518 HydrophobicContact CD1-CD1 3.79Å; F515-L518 HydrophobicContact CE1-CD1 4.09Å; F515-L518 CarbonylContact O-C 3.6Å; F515-L518 PolarHBondContact O-N 2.98Å; D516-L518 VanDerWaalsContact C-N 3.33Å; D516-L518 PolarHBondContact O-N 3.34Å; L518-K520 PolarHBondContact O-N 2.92Å; L518-K520 VanDerWaalsContact O-N 3.16Å; L518-I521 PolarHBondContact O-N 3.18Å; L518-S522 PolarHBondContact O-N 3.35Å; L518-I526 HydrophobicContact CB-CD1 3.5Å; L518-I526 HydrophobicContact CB-CG1 4.41Å; L518-I526 WeakPolarHBondContact O-CD1 3.28Å |
| 519 | G | 53.1 | Low | 58.6 | Low | 21 Ų | 21 | 84.8 Ų | 84.8 | 22% | 0.216 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.1 | -23 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F515 D516 I521 R523 | F515-G519 WeakPolarHBondContact O-CA 3.47Å; F515-G519 PolarHBondContact O-N 2.94Å; D516-G519 PolarHBondContact O-N 3.31Å; G519-I521 VanDerWaalsContact C-N 3.3Å; G519-I521 PolarHBondContact O-N 3.05Å; G519-R523 WeakPolarHBondContact O-CG 3.44Å |
| 520 | K | 53.6 | Low | 59.5 | Low | 198 Ų | 198 | 84.5 Ų | 84.5 | 86% | 0.861 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -28.5 | 171.6 | -82.8 | -173.6 | 179.6 | 178.4 | 0 | 113.2 | L518 | L518-K520 PolarHBondContact O-N 2.92Å; L518-K520 VanDerWaalsContact O-N 3.16Å |
| 521 | I | 53.3 | Low | 60.2 | Low | 144 Ų | 144 | 81.2 Ų | 81.2 | 74% | 0.738 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -32.5 | -172.6 | -73.5 | 151 | 0 | 0 | 0 | 112.2 | L518 G519 | L518-I521 PolarHBondContact O-N 3.18Å; G519-I521 VanDerWaalsContact C-N 3.3Å; G519-I521 PolarHBondContact O-N 3.05Å |
| 522 | S | 59.1 | Low | 61.2 | Low | 34 Ų | 34 | 72.2 Ų | 72.2 | 24% | 0.238 | 36% | 0.355 | C | S | . | . | trans | -158.1 | 75.1 | -175.2 | 64 | 0 | 0 | 0 | 0 | 115.1 | L518 F525 I526 | L518-S522 PolarHBondContact O-N 3.35Å; S522-F525 PolarHBondContact O-N 3.38Å; S522-I526 WeakPolarHBondContact O-CD1 3.24Å; S522-I526 WeakPolarHBondContact O-CG1 3.45Å; S522-I526 PolarHBondContact O-N 3.2Å | ||
| 523 | R | 59.9 | Low | 62.3 | Low | 200 Ų | 200 | 69.1 Ų | 69.1 | 76% | 0.755 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -52.2 | -46.6 | 174 | -65.8 | -172 | -179.6 | -172.4 | -0.3 | 115 | G519 S527 | G519-R523 WeakPolarHBondContact O-CG 3.44Å; R523-S527 WeakPolarHBondContact O-CB 3.41Å; R523-S527 PolarHBondContact O-N 3.48Å; R523-S527 VanDerWaalsContact O-N 3.11Å; R523-S527 PolarHBondContact O-OG 3.42Å |
| 524 | P | 59.6 | Low | 63.3 | Low | 68 Ų | 68 | 70.1 Ų | 70.1 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.4 | -38 | -179.4 | 23.8 | -31.6 | 0 | 0 | 0 | 112.7 | F26 I526 S527 K528 | F26-P524 HydrophobicContact CE2-CB 4.21Å; F26-P524 HydrophobicContact CE2-CG 4.43Å; F26-P524 HydrophobicContact CZ-CB 4.4Å; P524-I526 PolarHBondContact O-N 2.9Å; P524-S527 PolarHBondContact O-N 2.93Å; P524-K528 WeakPolarHBondContact O-CB 3.44Å; P524-K528 PolarHBondContact O-N 2.85Å |
| 525 | F | 64 | Low | 64.3 | Low | 70 Ų | 70 | 64.9 Ų | 64.9 | 31% | 0.307 | 31% | 0.312 | S | S | . | . | I | π-helix | trans | -59.7 | -48.8 | 178.6 | -171.4 | -93 | 0 | 0 | 0 | 111.8 | F26 V30 S522 W529 V530 | F26-F525 HydrophobicContact CE1-CB 4.31Å; F26-F525 HydrophobicContact CE1-CD2 4.2Å; F26-F525 HydrophobicContact CZ-CB 3.94Å; F26-F525 HydrophobicContact CZ-CD2 4Å; F26-F525 HydrophobicContact CZ-CG 4.45Å; V30-F525 HydrophobicContact CG1-CE2 3.85Å; V30-F525 HydrophobicContact CG2-CD2 4.41Å; S522-F525 PolarHBondContact O-N 3.38Å; F525-W529 HydrophobicContact CD1-CE3 4.31Å; F525-W529 AromaticContact CE1-CE3 3.54Å; F525-W529 HydrophobicContact CE1-CE3 3.54Å; F525-W529 AromaticContact CE1-CZ3 3.71Å; F525-W529 HydrophobicContact CE1-CZ3 3.71Å; F525-W529 HydrophobicContact CE2-CD2 4.06Å; F525-W529 AromaticContact CE2-CE3 3.84Å; F525-W529 HydrophobicContact CE2-CE3 3.84Å; F525-W529 HydrophobicContact CE2-CG 4.44Å; F525-W529 HydrophobicContact CE2-CZ3 4.3Å; F525-W529 AromaticContact CZ-CD2 3.93Å; F525-W529 HydrophobicContact CZ-CD2 3.93Å; F525-W529 AromaticContact CZ-CE3 3.26Å; F525-W529 HydrophobicContact CZ-CE3 3.26Å; F525-W529 HydrophobicContact CZ-CH2 4.12Å; F525-W529 AromaticContact CZ-CZ3 3.38Å; F525-W529 HydrophobicContact CZ-CZ3 3.38Å; F525-W529 PolarHBondContact O-N 2.85Å; F525-W529 VanDerWaalsContact O-N 3.13Å; F525-V530 HydrophobicContact CD1-CG2 4.12Å; F525-V530 HydrophobicContact CE1-CG2 4.11Å; F525-V530 PolarHBondContact O-N 3.44Å |
| 526 | I | 62.1 | Low | 65.4 | Low | 21 Ų | 21 | 63.9 Ų | 63.9 | 11% | 0.108 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -70.1 | -40.9 | -177 | -63.5 | 161.3 | 0 | 0 | 0 | 111.6 | F515 L518 S522 P524 V530 | F515-I526 HydrophobicContact CB-CG2 3.8Å; F515-I526 HydrophobicContact CD1-CG1 4.4Å; F515-I526 HydrophobicContact CD1-CG2 3.61Å; F515-I526 HydrophobicContact CD2-CG2 4.01Å; F515-I526 HydrophobicContact CE1-CG2 4.24Å; F515-I526 HydrophobicContact CG-CG2 3.54Å; L518-I526 HydrophobicContact CB-CD1 3.5Å; L518-I526 HydrophobicContact CB-CG1 4.41Å; L518-I526 WeakPolarHBondContact O-CD1 3.28Å; S522-I526 WeakPolarHBondContact O-CD1 3.24Å; S522-I526 WeakPolarHBondContact O-CG1 3.45Å; S522-I526 PolarHBondContact O-N 3.2Å; P524-I526 PolarHBondContact O-N 2.9Å; I526-V530 WeakPolarHBondContact O-CB 3.39Å |
| 527 | S | 62.7 | Low | 66.5 | Low | 22 Ų | 22 | 60 Ų | 60 | 15% | 0.154 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -79.9 | -24 | -175.2 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | R523 P524 | R523-S527 WeakPolarHBondContact O-CB 3.41Å; R523-S527 PolarHBondContact O-N 3.48Å; R523-S527 VanDerWaalsContact O-N 3.11Å; R523-S527 PolarHBondContact O-OG 3.42Å; P524-S527 PolarHBondContact O-N 2.93Å |
| 528 | K | 67.8 | Low | 67.6 | Low | 33 Ų | 33 | 50.5 Ų | 50.5 | 14% | 0.143 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -115.5 | -43.6 | -170.5 | -56.7 | -59.2 | -179.8 | -176.6 | 0 | 115 | Y9 F26 P524 | Y9-K528 HydrophobicContact CD1-CD 4.3Å; Y9-K528 HydrophobicContact CE1-CD 4.11Å; F26-K528 HydrophobicContact CD1-CB 4.26Å; P524-K528 WeakPolarHBondContact O-CB 3.44Å; P524-K528 PolarHBondContact O-N 2.85Å |
| 529 | W | 75.8 | Confident | 69.1 | Low | 37 Ų | 37 | 47.5 Ų | 47.5 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -87.4 | -44.6 | -176.9 | 178.2 | 89.7 | 0 | 0 | 0 | 112.3 | F26 V30 N31 I34 F525 A532 A533 L636 | F26-W529 HydrophobicContact CD1-CB 4.34Å; F26-W529 HydrophobicContact CE1-CB 3.93Å; V30-W529 HydrophobicContact CG1-CD2 4.23Å; V30-W529 HydrophobicContact CG1-CG 4.05Å; N31-W529 PolarHBondContact OD1-NE1 3.49Å; I34-W529 HydrophobicContact CD1-CH2 4.5Å; I34-W529 HydrophobicContact CD1-CZ2 3.7Å; F525-W529 HydrophobicContact CD1-CE3 4.31Å; F525-W529 AromaticContact CE1-CE3 3.54Å; F525-W529 HydrophobicContact CE1-CE3 3.54Å; F525-W529 AromaticContact CE1-CZ3 3.71Å; F525-W529 HydrophobicContact CE1-CZ3 3.71Å; F525-W529 HydrophobicContact CE2-CD2 4.06Å; F525-W529 AromaticContact CE2-CE3 3.84Å; F525-W529 HydrophobicContact CE2-CE3 3.84Å; F525-W529 HydrophobicContact CE2-CG 4.44Å; F525-W529 HydrophobicContact CE2-CZ3 4.3Å; F525-W529 AromaticContact CZ-CD2 3.93Å; F525-W529 HydrophobicContact CZ-CD2 3.93Å; F525-W529 AromaticContact CZ-CE3 3.26Å; F525-W529 HydrophobicContact CZ-CE3 3.26Å; F525-W529 HydrophobicContact CZ-CH2 4.12Å; F525-W529 AromaticContact CZ-CZ3 3.38Å; F525-W529 HydrophobicContact CZ-CZ3 3.38Å; F525-W529 PolarHBondContact O-N 2.85Å; F525-W529 VanDerWaalsContact O-N 3.13Å; W529-A532 PolarHBondContact O-N 3.24Å; W529-A532 VanDerWaalsContact O-N 3.11Å; W529-A533 HydrophobicContact CD2-CB 4.06Å; W529-A533 HydrophobicContact CE3-CB 3.98Å; W529-A533 HydrophobicContact CH2-CB 3.74Å; W529-A533 HydrophobicContact CZ2-CB 3.82Å; W529-A533 HydrophobicContact CZ3-CB 3.82Å; W529-A533 PolarHBondContact O-N 2.93Å; W529-L636 HydrophobicContact CH2-CD1 4.5Å; W529-L636 HydrophobicContact CZ2-CD1 3.68Å |
| 530 | V | 74.1 | Confident | 70.7 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.1 | -42.8 | -175.4 | 171.3 | 0 | 0 | 0 | 0 | 113.8 | F515 F525 I526 A532 A533 I534 | F515-V530 HydrophobicContact CE1-CG1 4.2Å; F515-V530 HydrophobicContact CE2-CG1 4.15Å; F515-V530 HydrophobicContact CZ-CG1 3.55Å; F525-V530 HydrophobicContact CD1-CG2 4.12Å; F525-V530 HydrophobicContact CE1-CG2 4.11Å; F525-V530 PolarHBondContact O-N 3.44Å; I526-V530 WeakPolarHBondContact O-CB 3.39Å; V530-A532 PolarHBondContact O-N 3.41Å; V530-A533 PolarHBondContact O-N 2.84Å; V530-I534 HydrophobicContact CG1-CD1 3.46Å; V530-I534 VanDerWaalsContact CG1-CD1 3.46Å; V530-I534 HydrophobicContact CG1-CG1 4Å; V530-I534 WeakPolarHBondContact O-CB 3.23Å; V530-I534 VanDerWaalsContact O-CG1 3.29Å; V530-I534 WeakPolarHBondContact O-CG1 3.44Å; V530-I534 PolarHBondContact O-N 3.43Å |
| 531 | P | 70.2 | Confident | 72.2 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.5 | -44.2 | 176.1 | -28.4 | 37.1 | 0 | 0 | 0 | 114.2 | L506 L535 | L506-P531 HydrophobicContact CD1-CB 3.63Å; L506-P531 HydrophobicContact CD1-CG 4.24Å; L506-P531 HydrophobicContact CD2-CB 4.09Å; L506-P531 HydrophobicContact CD2-CG 3.93Å; P531-L535 WeakPolarHBondContact O-CB 3.49Å; P531-L535 PolarHBondContact O-N 3.04Å |
| 532 | A | 75.3 | Confident | 73.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.6 | -40.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | W529 V530 L535 A536 N628 | W529-A532 PolarHBondContact O-N 3.24Å; W529-A532 VanDerWaalsContact O-N 3.11Å; V530-A532 PolarHBondContact O-N 3.41Å; A532-L535 PolarHBondContact O-N 3.24Å; A532-A536 WeakPolarHBondContact O-CB 3.34Å; A532-A536 PolarHBondContact O-N 3.22Å; A532-N628 HydrophobicContact CB-CB 3.91Å |
| 533 | A | 80.1 | Confident | 74.7 | Confident | 20 Ų | 20 | 36.2 Ų | 36.2 | 17% | 0.165 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | W529 V530 A536 G537 | W529-A533 HydrophobicContact CD2-CB 4.06Å; W529-A533 HydrophobicContact CE3-CB 3.98Å; W529-A533 HydrophobicContact CH2-CB 3.74Å; W529-A533 HydrophobicContact CZ2-CB 3.82Å; W529-A533 HydrophobicContact CZ3-CB 3.82Å; W529-A533 PolarHBondContact O-N 2.93Å; V530-A533 PolarHBondContact O-N 2.84Å; A533-A536 PolarHBondContact O-N 3.46Å; A533-G537 PolarHBondContact O-N 3.08Å |
| 534 | I | 76.6 | Confident | 76.1 | Confident | 38 Ų | 38 | 32.2 Ų | 32.2 | 20% | 0.195 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 174.5 | -71.4 | 173.9 | 0 | 0 | 0 | 110.1 | I505 L506 V530 A536 G537 V538 | I505-I534 HydrophobicContact CG2-CG2 4.28Å; L506-I534 HydrophobicContact CD2-CD1 3.94Å; V530-I534 HydrophobicContact CG1-CD1 3.46Å; V530-I534 VanDerWaalsContact CG1-CD1 3.46Å; V530-I534 HydrophobicContact CG1-CG1 4Å; V530-I534 WeakPolarHBondContact O-CB 3.23Å; V530-I534 VanDerWaalsContact O-CG1 3.29Å; V530-I534 WeakPolarHBondContact O-CG1 3.44Å; V530-I534 PolarHBondContact O-N 3.43Å; I534-A536 VanDerWaalsContact C-N 3.31Å; I534-A536 PolarHBondContact O-N 3.29Å; I534-G537 PolarHBondContact O-N 3.08Å; I534-V538 HydrophobicContact CG2-CG2 4.1Å; I534-V538 WeakPolarHBondContact O-CB 3.46Å; I534-V538 VanDerWaalsContact O-CG2 3.26Å; I534-V538 WeakPolarHBondContact O-CG2 3.43Å; I534-V538 PolarHBondContact O-N 2.86Å |
| 535 | L | 77.1 | Confident | 77.3 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.7 | -43.9 | 177 | 179.3 | 63 | 0 | 0 | 0 | 111.6 | P502 P531 A532 S539 V577 L625 Y629 | P502-L535 HydrophobicContact CB-CB 4.45Å; P502-L535 HydrophobicContact CB-CD1 3.71Å; P502-L535 HydrophobicContact CG-CD1 3.35Å; P531-L535 WeakPolarHBondContact O-CB 3.49Å; P531-L535 PolarHBondContact O-N 3.04Å; A532-L535 PolarHBondContact O-N 3.24Å; L535-S539 WeakPolarHBondContact O-CB 3.26Å; L535-S539 PolarHBondContact O-N 3.01Å; L535-V577 HydrophobicContact CD1-CG1 4.43Å; L535-L625 HydrophobicContact CD2-CD1 4.43Å; L535-L625 HydrophobicContact CD2-CD2 4.12Å; L535-L625 HydrophobicContact CD2-CG 4.21Å; L535-Y629 HydrophobicContact CD2-CD2 3.86Å; L535-Y629 HydrophobicContact CD2-CG 4.4Å; L535-Y629 HydrophobicContact CG-CD2 3.93Å; L535-Y629 HydrophobicContact CG-CE2 4.24Å |
| 536 | A | 82.1 | Confident | 78.4 | Confident | 10 Ų | 10 | 28.3 Ų | 28.3 | 8% | 0.083 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.1 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A532 A533 I534 S539 V540 Y629 T632 | A532-A536 WeakPolarHBondContact O-CB 3.34Å; A532-A536 PolarHBondContact O-N 3.22Å; A533-A536 PolarHBondContact O-N 3.46Å; I534-A536 VanDerWaalsContact C-N 3.31Å; I534-A536 PolarHBondContact O-N 3.29Å; A536-S539 PolarHBondContact O-N 3.48Å; A536-S539 PolarHBondContact O-OG 3.48Å; A536-V540 WeakPolarHBondContact O-CG2 3.32Å; A536-V540 PolarHBondContact O-N 3.08Å; A536-V540 VanDerWaalsContact O-N 3.12Å; A536-Y629 HydrophobicContact CB-CD2 4.44Å; A536-Y629 HydrophobicContact CB-CE2 4.25Å; A536-T632 HydrophobicContact CB-CG2 3.96Å |
| 537 | G | 82.7 | Confident | 79.7 | Confident | 42 Ų | 42 | 28 Ų | 28 | 43% | 0.433 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A533 I534 V540 L541 | A533-G537 PolarHBondContact O-N 3.08Å; I534-G537 PolarHBondContact O-N 3.08Å; G537-V540 PolarHBondContact O-N 3.39Å; G537-L541 PolarHBondContact O-N 2.83Å |
| 538 | V | 78.5 | Confident | 80.9 | Confident | 15 Ų | 15 | 31.1 Ų | 31.1 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.2 | -40.2 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | L499 P502 I505 I534 V540 L541 L542 | L499-V538 HydrophobicContact CG-CG1 4.39Å; P502-V538 HydrophobicContact CG-CG1 4.41Å; I505-V538 HydrophobicContact CD1-CG2 3.95Å; I534-V538 HydrophobicContact CG2-CG2 4.1Å; I534-V538 WeakPolarHBondContact O-CB 3.46Å; I534-V538 VanDerWaalsContact O-CG2 3.26Å; I534-V538 WeakPolarHBondContact O-CG2 3.43Å; I534-V538 PolarHBondContact O-N 2.86Å; V538-V540 VanDerWaalsContact C-N 3.33Å; V538-V540 PolarHBondContact O-N 3.22Å; V538-L541 PolarHBondContact O-N 3.27Å; V538-L542 HydrophobicContact CG1-CD1 3.54Å; V538-L542 HydrophobicContact CG1-CG 3.99Å; V538-L542 VanDerWaalsContact O-CB 3.29Å; V538-L542 WeakPolarHBondContact O-CB 3.37Å; V538-L542 WeakPolarHBondContact O-CG 3Å; V538-L542 PolarHBondContact O-N 3.09Å |
| 539 | S | 83.6 | Confident | 81.9 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 176.9 | 74.5 | 0 | 0 | 0 | 0 | 111.9 | L535 A536 L542 T543 | L535-S539 WeakPolarHBondContact O-CB 3.26Å; L535-S539 PolarHBondContact O-N 3.01Å; A536-S539 PolarHBondContact O-N 3.48Å; A536-S539 PolarHBondContact O-OG 3.48Å; S539-L542 PolarHBondContact O-N 2.81Å; S539-T543 PolarHBondContact O-N 3.1Å; S539-T543 PolarHBondContact O-OG1 2.9Å |
| 540 | V | 86.2 | Confident | 82.5 | Confident | 68 Ų | 68 | 28.4 Ų | 28.4 | 41% | 0.412 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.3 | -47.8 | 173.5 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | A536 G537 V538 L542 T543 R544 F684 | A536-V540 WeakPolarHBondContact O-CG2 3.32Å; A536-V540 PolarHBondContact O-N 3.08Å; A536-V540 VanDerWaalsContact O-N 3.12Å; G537-V540 PolarHBondContact O-N 3.39Å; V538-V540 VanDerWaalsContact C-N 3.33Å; V538-V540 PolarHBondContact O-N 3.22Å; V540-L542 PolarHBondContact O-N 3.44Å; V540-T543 PolarHBondContact O-N 2.68Å; V540-R544 WeakPolarHBondContact O-CG 3.37Å; V540-R544 PolarHBondContact O-N 3.22Å; V540-F684 HydrophobicContact CG2-CE1 4.46Å; V540-F684 HydrophobicContact CG2-CZ 4.2Å |
| 541 | L | 84.7 | Confident | 83.1 | Confident | 89 Ų | 89 | 33.3 Ų | 33.3 | 47% | 0.466 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60 | -45.5 | 178.9 | 179.1 | 61.1 | 0 | 0 | 0 | 111.8 | L499 G537 V538 T543 R544 L545 | L499-L541 HydrophobicContact CD1-CD2 4.48Å; L499-L541 HydrophobicContact CD2-CD2 3.85Å; L499-L541 HydrophobicContact CD2-CG 4.08Å; G537-L541 PolarHBondContact O-N 2.83Å; V538-L541 PolarHBondContact O-N 3.27Å; L541-T543 PolarHBondContact O-N 3.16Å; L541-R544 WeakPolarHBondContact O-CB 3.22Å; L541-R544 PolarHBondContact O-N 3.24Å; L541-L545 WeakPolarHBondContact O-CG 3.46Å; L541-L545 PolarHBondContact O-N 3.31Å |
| 542 | L | 80.2 | Confident | 83.7 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 177 | -74 | 170.6 | 0 | 0 | 0 | 111.8 | L499 T500 V538 S539 V540 R544 L545 V546 F572 | L499-L542 HydrophobicContact CB-CD2 3.83Å; L499-L542 HydrophobicContact CD2-CD2 3.32Å; L499-L542 HydrophobicContact CD2-CG 3.89Å; L499-L542 HydrophobicContact CG-CD2 3.8Å; L499-L542 HydrophobicContact CG-CG 4.39Å; T500-L542 HydrophobicContact CG2-CD1 4.27Å; V538-L542 HydrophobicContact CG1-CD1 3.54Å; V538-L542 HydrophobicContact CG1-CG 3.99Å; V538-L542 VanDerWaalsContact O-CB 3.29Å; V538-L542 WeakPolarHBondContact O-CB 3.37Å; V538-L542 WeakPolarHBondContact O-CG 3Å; V538-L542 PolarHBondContact O-N 3.09Å; S539-L542 PolarHBondContact O-N 2.81Å; V540-L542 PolarHBondContact O-N 3.44Å; L542-R544 VanDerWaalsContact C-N 3.3Å; L542-R544 PolarHBondContact O-N 3.39Å; L542-L545 PolarHBondContact O-N 3.32Å; L542-V546 WeakPolarHBondContact O-CG2 3.33Å; L542-V546 PolarHBondContact O-N 2.69Å; L542-F572 HydrophobicContact CB-CD1 4.32Å; L542-F572 HydrophobicContact CB-CE1 3.66Å; L542-F572 HydrophobicContact CB-CZ 4.47Å; L542-F572 HydrophobicContact CD1-CE1 3.95Å; L542-F572 HydrophobicContact CD2-CE1 3.7Å; L542-F572 HydrophobicContact CD2-CZ 3.85Å; L542-F572 HydrophobicContact CG-CE1 3.95Å |
| 543 | T | 85.6 | Confident | 84 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 175.7 | -59 | 0 | 0 | 0 | 0 | 111.7 | S539 V540 L541 L545 V546 I547 A569 L573 E680 F684 | S539-T543 PolarHBondContact O-N 3.1Å; S539-T543 PolarHBondContact O-OG1 2.9Å; V540-T543 PolarHBondContact O-N 2.68Å; L541-T543 PolarHBondContact O-N 3.16Å; T543-L545 PolarHBondContact O-N 2.86Å; T543-V546 PolarHBondContact O-N 2.81Å; T543-I547 HydrophobicContact CG2-CD1 3.86Å; T543-I547 HydrophobicContact CG2-CG1 4.39Å; T543-I547 VanDerWaalsContact O-CG1 3.25Å; T543-I547 WeakPolarHBondContact O-CG1 3.03Å; T543-I547 PolarHBondContact O-N 3.1Å; T543-A569 HydrophobicContact CG2-CB 4.1Å; T543-L573 WeakPolarHBondContact OG1-CD1 3.43Å; T543-E680 HydrophobicContact CG2-CG 4.16Å; T543-F684 HydrophobicContact CG2-CE2 3.63Å; T543-F684 HydrophobicContact CG2-CZ 3.87Å; T543-F684 VanDerWaalsContact OG1-CZ 3.27Å; T543-F684 WeakPolarHBondContact OG1-CZ 2.97Å |
| 544 | R | 88.5 | Confident | 83.9 | Confident | 117 Ų | 117 | 44 Ų | 44 | 44% | 0.442 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.9 | -40.3 | 175 | -69.5 | -68.3 | 175.4 | -158 | -8.2 | 112.4 | V540 L541 L542 I547 I548 E680 | V540-R544 WeakPolarHBondContact O-CG 3.37Å; V540-R544 PolarHBondContact O-N 3.22Å; L541-R544 WeakPolarHBondContact O-CB 3.22Å; L541-R544 PolarHBondContact O-N 3.24Å; L542-R544 VanDerWaalsContact C-N 3.3Å; L542-R544 PolarHBondContact O-N 3.39Å; R544-I547 PolarHBondContact O-N 3.32Å; R544-I548 VanDerWaalsContact O-CG1 3.27Å; R544-I548 WeakPolarHBondContact O-CG1 3.08Å; R544-I548 PolarHBondContact O-N 3.48Å; R544-E680 VanDerWaalsContact CZ-CD 3.49Å; R544-E680 IonicContact CZ-OE1 2.68Å; R544-E680 IonicContact CZ-OE2 3.38Å; R544-E680 IonicContact NE-OE1 2.71Å; R544-E680 IonicContact NH1-OE1 3.03Å; R544-E680 IonicContact NH1-OE2 3.09Å; R544-E680 PolarHBondContact NH1-OE2 2.84Å; R544-E680 VanDerWaalsContact NH2-CD 3.26Å; R544-E680 IonicContact NH2-OE1 3.12Å; R544-E680 PolarHBondContact NH2-OE1 2.87Å; R544-E680 IonicContact NH2-OE2 3.01Å; R544-E680 PolarHBondContact NH2-OE2 3.24Å |
| 545 | L | 85.5 | Confident | 84 | Confident | 51 Ų | 51 | 43.4 Ų | 43.4 | 27% | 0.267 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.8 | -43 | 174.8 | -67.8 | 170 | 0 | 0 | 0 | 111.9 | L495 L499 L541 L542 T543 I548 S549 | L495-L545 HydrophobicContact CD2-CD1 3.64Å; L495-L545 HydrophobicContact CD2-CD2 3.95Å; L495-L545 HydrophobicContact CD2-CG 4.25Å; L495-L545 HydrophobicContact CG-CD1 4.14Å; L499-L545 HydrophobicContact CD2-CD1 3.87Å; L541-L545 WeakPolarHBondContact O-CG 3.46Å; L541-L545 PolarHBondContact O-N 3.31Å; L542-L545 PolarHBondContact O-N 3.32Å; T543-L545 PolarHBondContact O-N 2.86Å; L545-I548 PolarHBondContact O-N 2.72Å; L545-S549 WeakPolarHBondContact O-CB 3.2Å; L545-S549 PolarHBondContact O-N 3.44Å |
| 546 | V | 87.3 | Confident | 83.8 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 174.6 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | V492 L542 T543 S549 E550 N568 A569 F572 | V492-V546 HydrophobicContact CG1-CG2 4.04Å; L542-V546 WeakPolarHBondContact O-CG2 3.33Å; L542-V546 PolarHBondContact O-N 2.69Å; T543-V546 PolarHBondContact O-N 2.81Å; V546-S549 WeakPolarHBondContact O-CB 3.46Å; V546-S549 PolarHBondContact O-N 3.19Å; V546-S549 PolarHBondContact O-OG 3.23Å; V546-E550 WeakPolarHBondContact O-CG 2.96Å; V546-E550 PolarHBondContact O-N 3.05Å; V546-E550 VanDerWaalsContact O-N 3.1Å; V546-N568 HydrophobicContact CG1-CB 4.06Å; V546-A569 HydrophobicContact CG1-CB 4.28Å; V546-F572 HydrophobicContact CG2-CB 4.26Å; V546-F572 HydrophobicContact CG2-CD1 4.24Å; V546-F572 HydrophobicContact CG2-CD2 3.86Å; V546-F572 HydrophobicContact CG2-CE2 4.14Å; V546-F572 HydrophobicContact CG2-CG 3.86Å; V546-F572 HydrophobicContact CG2-CZ 4.46Å |
| 547 | I | 89.5 | Confident | 83.5 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -50.8 | 178.1 | -69.8 | 163.7 | 0 | 0 | 0 | 111.1 | T543 R544 S549 E550 Y551 I565 E680 | T543-I547 HydrophobicContact CG2-CD1 3.86Å; T543-I547 HydrophobicContact CG2-CG1 4.39Å; T543-I547 VanDerWaalsContact O-CG1 3.25Å; T543-I547 WeakPolarHBondContact O-CG1 3.03Å; T543-I547 PolarHBondContact O-N 3.1Å; R544-I547 PolarHBondContact O-N 3.32Å; I547-S549 PolarHBondContact O-N 2.7Å; I547-E550 PolarHBondContact O-N 3.48Å; I547-E550 VanDerWaalsContact O-N 3.08Å; I547-Y551 HydrophobicContact CG2-CD2 3.74Å; I547-Y551 HydrophobicContact CG2-CE2 3.44Å; I547-Y551 VanDerWaalsContact CG2-CE2 3.44Å; I547-Y551 VanDerWaalsContact O-CD2 3.26Å; I547-Y551 WeakPolarHBondContact O-CD2 3.42Å; I547-Y551 PolarHBondContact O-N 2.82Å; I547-Y551 VanDerWaalsContact O-N 3.08Å; I547-I565 HydrophobicContact CG1-CG2 3.74Å; I547-I565 HydrophobicContact CG2-CD1 4.44Å; I547-E680 HydrophobicContact CD1-CB 3.88Å; I547-E680 HydrophobicContact CD1-CG 3.8Å |
| 548 | I | 88.6 | Confident | 83.2 | Confident | 89 Ų | 89 | 45.6 Ų | 45.6 | 46% | 0.456 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.4 | -41.7 | 178.8 | -67.8 | 163.8 | 0 | 0 | 0 | 110.4 | R544 L545 E550 Y551 W552 | R544-I548 VanDerWaalsContact O-CG1 3.27Å; R544-I548 WeakPolarHBondContact O-CG1 3.08Å; R544-I548 PolarHBondContact O-N 3.48Å; L545-I548 PolarHBondContact O-N 2.72Å; I548-E550 VanDerWaalsContact C-N 3.32Å; I548-E550 PolarHBondContact O-N 3.35Å; I548-Y551 PolarHBondContact O-N 2.6Å; I548-W552 PolarHBondContact O-N 3.43Å; I548-W552 VanDerWaalsContact O-N 3.16Å |
| 549 | S | 88.3 | Confident | 83.1 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.7 | -39.1 | 177.9 | 83.8 | 0 | 0 | 0 | 0 | 113 | V492 L545 V546 I547 W552 T553 | V492-S549 WeakPolarHBondContact CG2-OG 3.17Å; L545-S549 WeakPolarHBondContact O-CB 3.2Å; L545-S549 PolarHBondContact O-N 3.44Å; V546-S549 WeakPolarHBondContact O-CB 3.46Å; V546-S549 PolarHBondContact O-N 3.19Å; V546-S549 PolarHBondContact O-OG 3.23Å; I547-S549 PolarHBondContact O-N 2.7Å; S549-W552 PolarHBondContact O-N 3.18Å; S549-T553 PolarHBondContact O-N 3.03Å |
| 550 | E | 88.1 | Confident | 82.8 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -79 | -20.5 | 179.8 | -63.5 | -57.9 | 158.2 | 0 | 0 | 113.1 | R489 V546 I547 I548 T553 H555 L561 V564 I565 N568 | R489-E550 IonicContact NE-OE1 3.28Å; V546-E550 WeakPolarHBondContact O-CG 2.96Å; V546-E550 PolarHBondContact O-N 3.05Å; V546-E550 VanDerWaalsContact O-N 3.1Å; I547-E550 PolarHBondContact O-N 3.48Å; I547-E550 VanDerWaalsContact O-N 3.08Å; I548-E550 VanDerWaalsContact C-N 3.32Å; I548-E550 PolarHBondContact O-N 3.35Å; E550-T553 PolarHBondContact O-OG1 3.31Å; E550-H555 PolarHBondContact O-ND1 3.38Å; E550-H555 VanDerWaalsContact O-ND1 3.12Å; E550-H555 IonicContact OE2-CE1 2.78Å; E550-H555 PolarHBondContact OE2-CE1 3.31Å; E550-H555 IonicContact OE2-NE2 2.76Å; E550-L561 HydrophobicContact CB-CD1 4.2Å; E550-L561 WeakPolarHBondContact O-CD1 3.37Å; E550-V564 HydrophobicContact CG-CG1 4.4Å; E550-V564 WeakPolarHBondContact OE2-CG1 3.39Å; E550-I565 HydrophobicContact CB-CD1 4.48Å; E550-I565 HydrophobicContact CB-CG1 3.68Å; E550-I565 HydrophobicContact CG-CG1 4.13Å; E550-N568 PolarHBondContact OE1-ND2 3.31Å |
| 551 | Y | 86.1 | Confident | 82.7 | Confident | 119 Ų | 119 | 42.1 Ų | 42.1 | 47% | 0.467 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -69.5 | -38.2 | 165.9 | -81.3 | -74.7 | 0 | 0 | 0 | 111.2 | I547 I548 T553 R554 L561 I565 | I547-Y551 HydrophobicContact CG2-CD2 3.74Å; I547-Y551 HydrophobicContact CG2-CE2 3.44Å; I547-Y551 VanDerWaalsContact CG2-CE2 3.44Å; I547-Y551 VanDerWaalsContact O-CD2 3.26Å; I547-Y551 WeakPolarHBondContact O-CD2 3.42Å; I547-Y551 PolarHBondContact O-N 2.82Å; I547-Y551 VanDerWaalsContact O-N 3.08Å; I548-Y551 PolarHBondContact O-N 2.6Å; Y551-T553 VanDerWaalsContact C-N 3.27Å; Y551-T553 PolarHBondContact O-N 2.95Å; Y551-R554 PolarHBondContact O-N 3Å; Y551-L561 HydrophobicContact CD1-CD2 4.05Å; Y551-L561 HydrophobicContact CE1-CD2 3.72Å; Y551-I565 HydrophobicContact CE2-CD1 4.41Å |
| 552 | W | 83.3 | Confident | 82.8 | Confident | 172 Ų | 172 | 38.1 Ų | 38.1 | 65% | 0.652 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -69.6 | -23.2 | -179.7 | -75.6 | 32.1 | 0 | 0 | 0 | 113.5 | I488 I548 S549 R554 | I488-W552 HydrophobicContact CD1-CB 3.9Å; I548-W552 PolarHBondContact O-N 3.43Å; I548-W552 VanDerWaalsContact O-N 3.16Å; S549-W552 PolarHBondContact O-N 3.18Å; W552-R554 PolarHBondContact O-N 2.69Å |
| 553 | T | 81.1 | Confident | 83 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -11.5 | 174.4 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | W481 V485 I488 S549 E550 Y551 H555 | W481-T553 PolarHBondContact NE1-O 2.97Å; V485-T553 HydrophobicContact CG2-CG2 4.01Å; I488-T553 HydrophobicContact CD1-CG2 4.01Å; I488-T553 HydrophobicContact CG2-CG2 4.42Å; S549-T553 PolarHBondContact O-N 3.03Å; E550-T553 PolarHBondContact O-OG1 3.31Å; Y551-T553 VanDerWaalsContact C-N 3.27Å; Y551-T553 PolarHBondContact O-N 2.95Å; T553-H555 PolarHBondContact OG1-CE1 3.25Å; T553-H555 PolarHBondContact OG1-ND1 3.23Å; T553-H555 VanDerWaalsContact OG1-ND1 3.11Å |
| 554 | R | 78 | Confident | 83 | Confident | 74 Ų | 74 | 38.6 Ų | 38.6 | 28% | 0.279 | 17% | 0.167 | S | C | . | . | trans | 54.5 | 72.5 | 176.4 | -65.9 | -177 | 173.2 | 84 | -7.7 | 113.5 | N470 T475 R484 Y551 W552 | N470-R554 HydrophobicContact CB-CB 4.43Å; T475-R554 WeakPolarHBondContact OG1-CD 3.37Å; R484-R554 VanDerWaalsContact NH1-NH1 3.18Å; Y551-R554 PolarHBondContact O-N 3Å; W552-R554 PolarHBondContact O-N 2.69Å | ||
| 555 | H | 79.9 | Confident | 83 | Confident | 25 Ų | 25 | 33.2 Ų | 33.2 | 12% | 0.116 | 15% | 0.147 | C | C | . | . | trans | -69.1 | 154.4 | 176 | -72.8 | 83 | 0 | 0 | 0 | 112.9 | L467 N470 E550 T553 L561 | L467-H555 HydrophobicContact CD1-CB 4.46Å; L467-H555 WeakPolarHBondContact CD1-O 3.45Å; N470-H555 WeakPolarHBondContact CB-O 3.34Å; N470-H555 PolarHBondContact ND2-O 3.39Å; N470-H555 VanDerWaalsContact ND2-O 3.14Å; E550-H555 PolarHBondContact O-ND1 3.38Å; E550-H555 VanDerWaalsContact O-ND1 3.12Å; E550-H555 IonicContact OE2-CE1 2.78Å; E550-H555 PolarHBondContact OE2-CE1 3.31Å; E550-H555 IonicContact OE2-NE2 2.76Å; T553-H555 PolarHBondContact OG1-CE1 3.25Å; T553-H555 PolarHBondContact OG1-ND1 3.23Å; T553-H555 VanDerWaalsContact OG1-ND1 3.11Å; H555-L561 HydrophobicContact CB-CB 3.85Å; H555-L561 HydrophobicContact CB-CD1 4.14Å; H555-L561 WeakPolarHBondContact ND1-CD1 3.13Å | ||
| 556 | K | 72.6 | Confident | 83.4 | Confident | 59 Ų | 59 | 30.8 Ų | 30.8 | 26% | 0.257 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -73.4 | -45 | 177.3 | -63.9 | -178.2 | 179 | -177.1 | 0 | 113.7 | L467 I471 H476 | L467-K556 PolarHBondContact N-O 3.42Å; I471-K556 HydrophobicContact CG2-CB 4.35Å; H476-K556 VanDerWaalsContact CD2-CG 3.5Å; H476-K556 WeakPolarHBondContact CD2-CG 3.14Å; H476-K556 WeakPolarHBondContact CE1-CE 3.02Å; H476-K556 WeakPolarHBondContact NE2-CE 3.44Å; H476-K556 WeakPolarHBondContact NE2-CG 3.39Å |
| 557 | T | 74.9 | Confident | 83.5 | Confident | 13 Ų | 13 | 34.3 Ų | 34.3 | 8% | 0.08 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -122.9 | 147.7 | -172.6 | 56.6 | 0 | 0 | 0 | 0 | 110.5 | N425 P461 D465 L466 G560 L561 | N425-T557 PolarHBondContact OD1-OG1 2.95Å; P461-T557 HydrophobicContact CB-CG2 4.05Å; P461-T557 HydrophobicContact CG-CG2 3.9Å; D465-T557 CarbonylContact O-C 3.42Å; D465-T557 WeakPolarHBondContact O-CA 3.49Å; D465-T557 WeakPolarHBondContact OD2-CB 3.27Å; L466-T557 HydrophobicContact CD2-CG2 4.08Å; T557-G560 PolarHBondContact O-N 2.85Å; T557-G560 PolarHBondContact OG1-N 3.32Å; T557-L561 WeakPolarHBondContact O-CB 3.3Å; T557-L561 PolarHBondContact O-N 3.23Å |
| 558 | R | 77.7 | Confident | 83.5 | Confident | 31 Ų | 31 | 35.2 Ų | 35.2 | 12% | 0.117 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.9 | -43 | 178 | -176.8 | 159.6 | 167.7 | 57 | 10.8 | 110.7 | D465 L467 G560 L561 E562 | D465-R558 PolarHBondContact O-N 3.49Å; D465-R558 WeakPolarHBondContact OD1-CB 3.18Å; D465-R558 PolarHBondContact OD1-N 3.41Å; L467-R558 HydrophobicContact CD2-CB 4.15Å; L467-R558 HydrophobicContact CG-CB 4.42Å; R558-G560 VanDerWaalsContact C-N 3.27Å; R558-G560 PolarHBondContact O-N 3.11Å; R558-L561 WeakPolarHBondContact O-CB 3.25Å; R558-L561 PolarHBondContact O-N 3.15Å; R558-L561 VanDerWaalsContact O-N 3.17Å; R558-E562 HydrophobicContact CG-CG 4.43Å; R558-E562 IonicContact CZ-OE1 3.74Å; R558-E562 IonicContact NH1-OE1 2.72Å; R558-E562 PolarHBondContact NH1-OE1 3.21Å; R558-E562 IonicContact NH2-OE1 3.93Å; R558-E562 PolarHBondContact NH2-OE1 3Å; R558-E562 WeakPolarHBondContact O-CG 3.09Å; R558-E562 PolarHBondContact O-N 3.48Å |
| 559 | G | 75.8 | Confident | 83.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -51.4 | -45 | 171 | 0 | 0 | 0 | 0 | 0 | 113.5 | D465 S563 H748 W751 | D465-G559 PolarHBondContact OD1-N 3.17Å; G559-S563 WeakPolarHBondContact O-CB 3.43Å; G559-S563 PolarHBondContact O-N 3.1Å; G559-H748 VanDerWaalsContact CA-CD2 3.44Å; G559-H748 WeakPolarHBondContact CA-CD2 3.32Å; G559-H748 VanDerWaalsContact CA-NE2 3.26Å; G559-H748 WeakPolarHBondContact CA-NE2 3.43Å; G559-W751 PolarHBondContact O-NE1 3.12Å; G559-W751 VanDerWaalsContact O-NE1 3.08Å |
| 560 | G | 76.6 | Confident | 83.9 | Confident | 8 Ų | 8 | 30.6 Ų | 30.6 | 8% | 0.082 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.1 | -47 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T557 R558 S563 V564 | T557-G560 PolarHBondContact O-N 2.85Å; T557-G560 PolarHBondContact OG1-N 3.32Å; R558-G560 VanDerWaalsContact C-N 3.27Å; R558-G560 PolarHBondContact O-N 3.11Å; G560-S563 PolarHBondContact O-N 3.21Å; G560-V564 WeakPolarHBondContact O-CG2 3.46Å; G560-V564 PolarHBondContact O-N 3.16Å |
| 561 | L | 83.8 | Confident | 84 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.8 | -54.5 | 177.4 | 174.3 | 63.7 | 0 | 0 | 0 | 111.3 | L467 E550 Y551 H555 T557 R558 S563 V564 I565 | L467-L561 HydrophobicContact CD1-CD2 4.1Å; E550-L561 HydrophobicContact CB-CD1 4.2Å; E550-L561 WeakPolarHBondContact O-CD1 3.37Å; Y551-L561 HydrophobicContact CD1-CD2 4.05Å; Y551-L561 HydrophobicContact CE1-CD2 3.72Å; H555-L561 HydrophobicContact CB-CB 3.85Å; H555-L561 HydrophobicContact CB-CD1 4.14Å; H555-L561 WeakPolarHBondContact ND1-CD1 3.13Å; T557-L561 WeakPolarHBondContact O-CB 3.3Å; T557-L561 PolarHBondContact O-N 3.23Å; R558-L561 WeakPolarHBondContact O-CB 3.25Å; R558-L561 PolarHBondContact O-N 3.15Å; R558-L561 VanDerWaalsContact O-N 3.17Å; L561-S563 VanDerWaalsContact C-N 3.29Å; L561-S563 PolarHBondContact O-N 3.43Å; L561-V564 PolarHBondContact O-N 2.78Å; L561-V564 VanDerWaalsContact O-N 3.09Å; L561-I565 HydrophobicContact CD1-CD1 3.81Å; L561-I565 HydrophobicContact CD1-CG1 4.13Å; L561-I565 HydrophobicContact CD2-CD1 4.5Å; L561-I565 HydrophobicContact CG-CD1 3.78Å; L561-I565 HydrophobicContact CG-CG1 4.44Å; L561-I565 WeakPolarHBondContact O-CG1 3.43Å; L561-I565 PolarHBondContact O-N 2.7Å |
| 562 | E | 86.9 | Confident | 84.1 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.8 | -36.9 | -178.6 | -66 | -70.1 | 167 | 0 | 0 | 111.6 | R558 Y566 G679 W751 | R558-E562 HydrophobicContact CG-CG 4.43Å; R558-E562 IonicContact CZ-OE1 3.74Å; R558-E562 IonicContact NH1-OE1 2.72Å; R558-E562 PolarHBondContact NH1-OE1 3.21Å; R558-E562 IonicContact NH2-OE1 3.93Å; R558-E562 PolarHBondContact NH2-OE1 3Å; R558-E562 WeakPolarHBondContact O-CG 3.09Å; R558-E562 PolarHBondContact O-N 3.48Å; E562-Y566 VanDerWaalsContact O-CB 3.22Å; E562-Y566 WeakPolarHBondContact O-CB 3.44Å; E562-Y566 PolarHBondContact O-N 3.2Å; E562-G679 WeakPolarHBondContact O-CA 3.37Å; E562-G679 WeakPolarHBondContact OE2-CA 3.22Å; E562-G679 PolarHBondContact OE2-N 3.22Å; E562-W751 HydrophobicContact CB-CH2 4.4Å; E562-W751 HydrophobicContact CB-CZ2 3.59Å; E562-W751 HydrophobicContact CG-CZ2 4.07Å |
| 563 | S | 84.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.4 | -37 | 175 | 173.2 | 0 | 0 | 0 | 0 | 113 | G559 G560 L561 R567 K750 Q754 | G559-S563 WeakPolarHBondContact O-CB 3.43Å; G559-S563 PolarHBondContact O-N 3.1Å; G560-S563 PolarHBondContact O-N 3.21Å; L561-S563 VanDerWaalsContact C-N 3.29Å; L561-S563 PolarHBondContact O-N 3.43Å; S563-R567 WeakPolarHBondContact O-CB 3.05Å; S563-R567 PolarHBondContact O-N 3.48Å; S563-K750 WeakPolarHBondContact OG-CD 3.17Å; S563-K750 WeakPolarHBondContact OG-CE 2.85Å; S563-K750 PolarHBondContact OG-NZ 3.33Å; S563-K750 VanDerWaalsContact OG-NZ 3.13Å; S563-Q754 PolarHBondContact O-NE2 3.25Å; S563-Q754 VanDerWaalsContact O-NE2 3.1Å; S563-Q754 PolarHBondContact O-OE1 3.29Å; S563-Q754 PolarHBondContact OG-OE1 3.38Å |
| 564 | V | 85.8 | Confident | 84.8 | Confident | 14 Ų | 14 | 23 Ų | 23 | 9% | 0.085 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -73.2 | -46.1 | 177 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | E550 G560 L561 Y566 R567 N568 | E550-V564 HydrophobicContact CG-CG1 4.4Å; E550-V564 WeakPolarHBondContact OE2-CG1 3.39Å; G560-V564 WeakPolarHBondContact O-CG2 3.46Å; G560-V564 PolarHBondContact O-N 3.16Å; L561-V564 PolarHBondContact O-N 2.78Å; L561-V564 VanDerWaalsContact O-N 3.09Å; V564-Y566 VanDerWaalsContact C-N 3.28Å; V564-Y566 PolarHBondContact O-N 2.76Å; V564-R567 PolarHBondContact O-N 3.35Å; V564-R567 VanDerWaalsContact O-N 3.17Å; V564-N568 WeakPolarHBondContact O-CB 3.35Å; V564-N568 PolarHBondContact O-N 3.48Å |
| 565 | I | 90 | Very high | 85.1 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -51.4 | -52.3 | 171.7 | -73.3 | 171.2 | 0 | 0 | 0 | 109.2 | I547 E550 Y551 L561 R567 N568 A569 | I547-I565 HydrophobicContact CG1-CG2 3.74Å; I547-I565 HydrophobicContact CG2-CD1 4.44Å; E550-I565 HydrophobicContact CB-CD1 4.48Å; E550-I565 HydrophobicContact CB-CG1 3.68Å; E550-I565 HydrophobicContact CG-CG1 4.13Å; Y551-I565 HydrophobicContact CE2-CD1 4.41Å; L561-I565 HydrophobicContact CD1-CD1 3.81Å; L561-I565 HydrophobicContact CD1-CG1 4.13Å; L561-I565 HydrophobicContact CD2-CD1 4.5Å; L561-I565 HydrophobicContact CG-CD1 3.78Å; L561-I565 HydrophobicContact CG-CG1 4.44Å; L561-I565 WeakPolarHBondContact O-CG1 3.43Å; L561-I565 PolarHBondContact O-N 2.7Å; I565-R567 PolarHBondContact O-N 3.24Å; I565-N568 PolarHBondContact O-N 3.06Å; I565-A569 WeakPolarHBondContact O-CB 3.41Å; I565-A569 PolarHBondContact O-N 3.36Å |
| 566 | Y | 92.3 | Very high | 85 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -55.5 | -51.7 | 178.3 | 175.1 | -154.9 | 0 | 0 | 0 | 112 | E562 V564 N568 Y570 G679 Y682 A683 S686 Q754 S755 F758 | E562-Y566 VanDerWaalsContact O-CB 3.22Å; E562-Y566 WeakPolarHBondContact O-CB 3.44Å; E562-Y566 PolarHBondContact O-N 3.2Å; V564-Y566 VanDerWaalsContact C-N 3.28Å; V564-Y566 PolarHBondContact O-N 2.76Å; Y566-N568 PolarHBondContact O-N 3.28Å; Y566-Y570 WeakPolarHBondContact O-CB 3.31Å; Y566-Y570 PolarHBondContact O-N 3.16Å; Y566-G679 WeakPolarHBondContact CA-O 3.37Å; Y566-Y682 HydrophobicContact CE1-CG 4.33Å; Y566-Y682 WeakPolarHBondContact CE2-O 3.48Å; Y566-A683 VanDerWaalsContact CD2-CA 3.47Å; Y566-A683 HydrophobicContact CD2-CB 3.86Å; Y566-A683 VanDerWaalsContact CD2-N 3.31Å; Y566-A683 HydrophobicContact CE2-CB 4.39Å; Y566-S686 PolarHBondContact OH-OG 3.4Å; Y566-Q754 HydrophobicContact CD1-CB 4.33Å; Y566-Q754 VanDerWaalsContact CD1-CD 3.43Å; Y566-Q754 HydrophobicContact CD1-CG 3.8Å; Y566-Q754 VanDerWaalsContact CD1-NE2 3.29Å; Y566-Q754 HydrophobicContact CE1-CB 4Å; Y566-Q754 HydrophobicContact CE1-CG 3.63Å; Y566-S755 WeakPolarHBondContact OH-CA 3.31Å; Y566-S755 WeakPolarHBondContact OH-CB 3.35Å; Y566-S755 PolarHBondContact OH-OG 3.13Å; Y566-F758 HydrophobicContact CD1-CE2 4.36Å; Y566-F758 HydrophobicContact CD2-CE2 4.31Å; Y566-F758 HydrophobicContact CE1-CD2 4.06Å; Y566-F758 HydrophobicContact CE1-CE2 4.03Å; Y566-F758 AromaticContact CE2-CD2 3.82Å; Y566-F758 HydrophobicContact CE2-CD2 3.82Å; Y566-F758 AromaticContact CE2-CE2 3.93Å; Y566-F758 HydrophobicContact CE2-CE2 3.93Å; Y566-F758 AromaticContact CZ-CD2 3.54Å; Y566-F758 AromaticContact CZ-CE2 3.82Å |
| 567 | R | 89.8 | Confident | 85.5 | Confident | 78 Ų | 78 | 21 Ų | 21 | 29% | 0.294 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -59 | -47.8 | -178.3 | -178.9 | 165.1 | 63.5 | -102.4 | -4 | 111.7 | S563 V564 I565 W571 Q754 F758 | S563-R567 WeakPolarHBondContact O-CB 3.05Å; S563-R567 PolarHBondContact O-N 3.48Å; V564-R567 PolarHBondContact O-N 3.35Å; V564-R567 VanDerWaalsContact O-N 3.17Å; I565-R567 PolarHBondContact O-N 3.24Å; R567-W571 PolarHBondContact O-N 3.33Å; R567-W571 VanDerWaalsContact O-N 3.14Å; R567-Q754 VanDerWaalsContact CA-NE2 3.34Å; R567-Q754 VanDerWaalsContact CB-NE2 3.29Å; R567-F758 HydrophobicContact CB-CZ 4.27Å; R567-F758 HydrophobicContact CG-CZ 4.06Å |
| 568 | N | 89.9 | Confident | 86 | Confident | 33 Ų | 33 | 20.4 Ų | 20.4 | 18% | 0.176 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -75.9 | -43.5 | -171.6 | -67.4 | -0.4 | 0 | 0 | 0 | 110.3 | V546 E550 V564 I565 Y566 Y570 W571 F572 | V546-N568 HydrophobicContact CG1-CB 4.06Å; E550-N568 PolarHBondContact OE1-ND2 3.31Å; V564-N568 WeakPolarHBondContact O-CB 3.35Å; V564-N568 PolarHBondContact O-N 3.48Å; I565-N568 PolarHBondContact O-N 3.06Å; Y566-N568 PolarHBondContact O-N 3.28Å; N568-Y570 VanDerWaalsContact C-N 3.32Å; N568-Y570 PolarHBondContact O-N 2.95Å; N568-W571 PolarHBondContact O-N 3.38Å; N568-F572 WeakPolarHBondContact O-CB 3.2Å; N568-F572 PolarHBondContact O-N 3.36Å |
| 569 | A | 91.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T543 V546 I565 L573 A683 | T543-A569 HydrophobicContact CG2-CB 4.1Å; V546-A569 HydrophobicContact CG1-CB 4.28Å; I565-A569 WeakPolarHBondContact O-CB 3.41Å; I565-A569 PolarHBondContact O-N 3.36Å; A569-L573 WeakPolarHBondContact O-CB 3.33Å; A569-L573 VanDerWaalsContact O-CG 3.31Å; A569-L573 WeakPolarHBondContact O-CG 3.24Å; A569-L573 PolarHBondContact O-N 2.81Å; A569-A683 HydrophobicContact CB-CB 3.73Å |
| 570 | Y | 93.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.2 | -57.3 | 175.5 | 175 | -96.9 | 0 | 0 | 0 | 112.1 | Y566 N568 F572 L573 F574 V687 T690 F758 T761 | Y566-Y570 WeakPolarHBondContact O-CB 3.31Å; Y566-Y570 PolarHBondContact O-N 3.16Å; N568-Y570 VanDerWaalsContact C-N 3.32Å; N568-Y570 PolarHBondContact O-N 2.95Å; Y570-F572 PolarHBondContact O-N 2.83Å; Y570-L573 PolarHBondContact O-N 3.08Å; Y570-F574 HydrophobicContact CE1-CB 4.42Å; Y570-F574 VanDerWaalsContact O-CB 3.26Å; Y570-F574 WeakPolarHBondContact O-CB 3.41Å; Y570-F574 PolarHBondContact O-N 3.27Å; Y570-V687 HydrophobicContact CD2-CG2 3.57Å; Y570-V687 HydrophobicContact CE2-CG2 3.88Å; Y570-V687 HydrophobicContact CG-CG2 4.45Å; Y570-T690 WeakPolarHBondContact OH-CG2 3.17Å; Y570-T690 PolarHBondContact OH-OG1 3.07Å; Y570-F758 HydrophobicContact CD1-CB 4.35Å; Y570-F758 AromaticContact CD1-CD1 3.61Å; Y570-F758 HydrophobicContact CD1-CD1 3.61Å; Y570-F758 AromaticContact CD1-CD2 3.92Å; Y570-F758 HydrophobicContact CD1-CD2 3.92Å; Y570-F758 AromaticContact CD1-CE1 3.78Å; Y570-F758 HydrophobicContact CD1-CE1 3.78Å; Y570-F758 HydrophobicContact CD1-CE2 4.04Å; Y570-F758 AromaticContact CD1-CG 3.72Å; Y570-F758 HydrophobicContact CD1-CG 3.72Å; Y570-F758 AromaticContact CD1-CZ 4Å; Y570-F758 HydrophobicContact CD1-CZ 4Å; Y570-F758 HydrophobicContact CD2-CB 4.45Å; Y570-F758 HydrophobicContact CD2-CD2 4.27Å; Y570-F758 HydrophobicContact CD2-CG 4.39Å; Y570-F758 HydrophobicContact CE1-CB 4.03Å; Y570-F758 AromaticContact CE1-CD1 3.63Å; Y570-F758 HydrophobicContact CE1-CD1 3.63Å; Y570-F758 HydrophobicContact CE1-CD2 4.44Å; Y570-F758 HydrophobicContact CE1-CE1 4.19Å; Y570-F758 AromaticContact CE1-CG 3.81Å; Y570-F758 HydrophobicContact CE1-CG 3.81Å; Y570-F758 HydrophobicContact CE2-CB 4.16Å; Y570-F758 HydrophobicContact CE2-CG 4.48Å; Y570-F758 HydrophobicContact CG-CD1 4.37Å; Y570-F758 AromaticContact CG-CD2 3.85Å; Y570-F758 HydrophobicContact CG-CD2 3.85Å; Y570-F758 HydrophobicContact CG-CE2 4.02Å; Y570-F758 HydrophobicContact CG-CG 4.05Å; Y570-F758 HydrophobicContact CG-CZ 4.41Å; Y570-T761 PolarHBondContact OH-OG1 3.05Å |
| 571 | W | 90.9 | Very high | 86.2 | Confident | 95 Ų | 95 | 23.6 Ų | 23.6 | 36% | 0.36 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -61.7 | -38.2 | -178.3 | -77.1 | 121.5 | 0 | 0 | 0 | 111.9 | R567 N568 F574 F575 F758 T761 | R567-W571 PolarHBondContact O-N 3.33Å; R567-W571 VanDerWaalsContact O-N 3.14Å; N568-W571 PolarHBondContact O-N 3.38Å; W571-F574 HydrophobicContact CE3-CB 4.48Å; W571-F574 HydrophobicContact CE3-CD1 4.04Å; W571-F574 HydrophobicContact CE3-CG 4.32Å; W571-F574 HydrophobicContact CZ3-CD1 4.14Å; W571-F574 HydrophobicContact CZ3-CE1 4.34Å; W571-F574 HydrophobicContact CZ3-CG 4.47Å; W571-F574 WeakPolarHBondContact O-CB 3.47Å; W571-F574 PolarHBondContact O-N 2.97Å; W571-F575 HydrophobicContact CB-CE2 4.48Å; W571-F575 HydrophobicContact CE3-CE2 4.2Å; W571-F575 WeakPolarHBondContact O-CD2 3.11Å; W571-F575 PolarHBondContact O-N 3.2Å; W571-F758 AromaticContact CE2-CE1 3.91Å; W571-F758 HydrophobicContact CZ2-CD1 4.37Å; W571-F758 HydrophobicContact CZ2-CE1 4.03Å; W571-F758 AromaticContact NE1-CE1 3.67Å; W571-T761 HydrophobicContact CH2-CG2 3.92Å |
| 572 | F | 87 | Confident | 85.9 | Confident | 25 Ų | 25 | 23.4 Ų | 23.4 | 11% | 0.11 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.4 | -54 | 177.1 | -167.8 | -80 | 0 | 0 | 0 | 111.7 | V492 A496 T500 L542 V546 N568 Y570 F574 F575 T576 | V492-F572 HydrophobicContact CG1-CD2 4.42Å; V492-F572 HydrophobicContact CG1-CE2 3.91Å; A496-F572 HydrophobicContact CB-CD2 4.46Å; A496-F572 HydrophobicContact CB-CE1 4.23Å; A496-F572 HydrophobicContact CB-CE2 3.25Å; A496-F572 HydrophobicContact CB-CZ 3.1Å; T500-F572 HydrophobicContact CG2-CE1 4.47Å; T500-F572 HydrophobicContact CG2-CZ 4.48Å; L542-F572 HydrophobicContact CB-CD1 4.32Å; L542-F572 HydrophobicContact CB-CE1 3.66Å; L542-F572 HydrophobicContact CB-CZ 4.47Å; L542-F572 HydrophobicContact CD1-CE1 3.95Å; L542-F572 HydrophobicContact CD2-CE1 3.7Å; L542-F572 HydrophobicContact CD2-CZ 3.85Å; L542-F572 HydrophobicContact CG-CE1 3.95Å; V546-F572 HydrophobicContact CG2-CB 4.26Å; V546-F572 HydrophobicContact CG2-CD1 4.24Å; V546-F572 HydrophobicContact CG2-CD2 3.86Å; V546-F572 HydrophobicContact CG2-CE2 4.14Å; V546-F572 HydrophobicContact CG2-CG 3.86Å; V546-F572 HydrophobicContact CG2-CZ 4.46Å; N568-F572 WeakPolarHBondContact O-CB 3.2Å; N568-F572 PolarHBondContact O-N 3.36Å; Y570-F572 PolarHBondContact O-N 2.83Å; F572-F574 VanDerWaalsContact C-N 3.3Å; F572-F574 PolarHBondContact O-N 3.33Å; F572-F575 PolarHBondContact O-N 2.94Å; F572-T576 HydrophobicContact CD1-CG2 4.11Å; F572-T576 HydrophobicContact CE1-CG2 3.96Å; F572-T576 WeakPolarHBondContact O-CB 3.3Å; F572-T576 WeakPolarHBondContact O-CG2 3.21Å; F572-T576 PolarHBondContact O-N 3.17Å; F572-T576 PolarHBondContact O-OG1 2.96Å |
| 573 | L | 88.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.8 | -36.7 | 176.6 | -74 | 177 | 0 | 0 | 0 | 112 | T543 A569 Y570 T576 V577 F684 V687 | T543-L573 WeakPolarHBondContact OG1-CD1 3.43Å; A569-L573 WeakPolarHBondContact O-CB 3.33Å; A569-L573 VanDerWaalsContact O-CG 3.31Å; A569-L573 WeakPolarHBondContact O-CG 3.24Å; A569-L573 PolarHBondContact O-N 2.81Å; Y570-L573 PolarHBondContact O-N 3.08Å; L573-T576 WeakPolarHBondContact CA-OG1 3.18Å; L573-T576 PolarHBondContact O-N 3Å; L573-V577 HydrophobicContact CD2-CG2 3.85Å; L573-V577 WeakPolarHBondContact O-CA 3.48Å; L573-V577 VanDerWaalsContact O-CB 3.25Å; L573-V577 WeakPolarHBondContact O-CB 3.27Å; L573-V577 PolarHBondContact O-N 3.3Å; L573-F684 HydrophobicContact CD1-CD1 4.02Å; L573-F684 HydrophobicContact CD1-CE1 3.86Å; L573-F684 HydrophobicContact CD1-CZ 4.37Å; L573-V687 HydrophobicContact CB-CB 4.36Å; L573-V687 HydrophobicContact CB-CG1 4.03Å; L573-V687 HydrophobicContact CB-CG2 3.54Å; L573-V687 HydrophobicContact CD1-CB 4.46Å; L573-V687 HydrophobicContact CD1-CG2 3.88Å; L573-V687 HydrophobicContact CG-CG2 4.39Å |
| 574 | F | 90.3 | Very high | 84 | Confident | 17 Ų | 17 | 27.7 Ų | 27.7 | 8% | 0.075 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -57.1 | -50.9 | 174.1 | 172.9 | -90.2 | 0 | 0 | 0 | 111.5 | Y570 W571 F572 T576 L578 L579 T690 M765 | Y570-F574 HydrophobicContact CE1-CB 4.42Å; Y570-F574 VanDerWaalsContact O-CB 3.26Å; Y570-F574 WeakPolarHBondContact O-CB 3.41Å; Y570-F574 PolarHBondContact O-N 3.27Å; W571-F574 HydrophobicContact CE3-CB 4.48Å; W571-F574 HydrophobicContact CE3-CD1 4.04Å; W571-F574 HydrophobicContact CE3-CG 4.32Å; W571-F574 HydrophobicContact CZ3-CD1 4.14Å; W571-F574 HydrophobicContact CZ3-CE1 4.34Å; W571-F574 HydrophobicContact CZ3-CG 4.47Å; W571-F574 WeakPolarHBondContact O-CB 3.47Å; W571-F574 PolarHBondContact O-N 2.97Å; F572-F574 VanDerWaalsContact C-N 3.3Å; F572-F574 PolarHBondContact O-N 3.33Å; F574-T576 VanDerWaalsContact C-N 3.35Å; F574-T576 PolarHBondContact O-N 3.38Å; F574-L578 HydrophobicContact CD2-CD2 3.89Å; F574-L578 HydrophobicContact CE2-CD2 3.85Å; F574-L578 CarbonylContact O-C 3.48Å; F574-L578 WeakPolarHBondContact O-CA 3.31Å; F574-L578 WeakPolarHBondContact O-CB 3.43Å; F574-L578 PolarHBondContact O-N 3.13Å; F574-L579 HydrophobicContact CE1-CB 4.41Å; F574-L579 PolarHBondContact O-N 2.88Å; F574-T690 HydrophobicContact CD2-CG2 4.03Å; F574-T690 HydrophobicContact CE2-CG2 4.09Å; F574-M765 HydrophobicContact CE2-CG 3.63Å; F574-M765 HydrophobicContact CE2-SD 4.23Å; F574-M765 HydrophobicContact CZ-CG 3.78Å; F574-M765 HydrophobicContact CZ-SD 3.78Å |
| 575 | F | 85.1 | Confident | 82.6 | Confident | 101 Ų | 101 | 28.4 Ų | 28.4 | 44% | 0.443 | 14% | 0.144 | S | C | . | . | I | π-helix | trans | -67 | -38.6 | -179.8 | -75.8 | -61.5 | 0 | 0 | 0 | 112.4 | W571 F572 L579 L580 | W571-F575 HydrophobicContact CB-CE2 4.48Å; W571-F575 HydrophobicContact CE3-CE2 4.2Å; W571-F575 WeakPolarHBondContact O-CD2 3.11Å; W571-F575 PolarHBondContact O-N 3.2Å; F572-F575 PolarHBondContact O-N 2.94Å; F575-L579 HydrophobicContact CD1-CB 4.33Å; F575-L579 HydrophobicContact CD1-CD2 3.47Å; F575-L579 VanDerWaalsContact CD1-CD2 3.47Å; F575-L579 HydrophobicContact CE1-CD2 3.7Å; F575-L580 WeakPolarHBondContact O-CB 3.48Å; F575-L580 WeakPolarHBondContact O-CG 3.47Å; F575-L580 PolarHBondContact O-N 2.84Å |
| 576 | T | 78.7 | Confident | 80.8 | Confident | 11 Ų | 11 | 31.3 Ų | 31.3 | 7% | 0.067 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -92.1 | -39.8 | -165.6 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | T500 F572 L573 F574 P581 | T500-T576 HydrophobicContact CG2-CG2 3.13Å; F572-T576 HydrophobicContact CD1-CG2 4.11Å; F572-T576 HydrophobicContact CE1-CG2 3.96Å; F572-T576 WeakPolarHBondContact O-CB 3.3Å; F572-T576 WeakPolarHBondContact O-CG2 3.21Å; F572-T576 PolarHBondContact O-N 3.17Å; F572-T576 PolarHBondContact O-OG1 2.96Å; L573-T576 WeakPolarHBondContact CA-OG1 3.18Å; L573-T576 PolarHBondContact O-N 3Å; F574-T576 VanDerWaalsContact C-N 3.35Å; F574-T576 PolarHBondContact O-N 3.38Å; T576-P581 WeakPolarHBondContact O-CD 3.23Å |
| 577 | V | 81.9 | Confident | 78.8 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -90.8 | -39.4 | 179.4 | -179.4 | 0 | 0 | 0 | 0 | 111 | L535 L573 P581 F626 Y629 I691 | L535-V577 HydrophobicContact CD1-CG1 4.43Å; L573-V577 HydrophobicContact CD2-CG2 3.85Å; L573-V577 WeakPolarHBondContact O-CA 3.48Å; L573-V577 VanDerWaalsContact O-CB 3.25Å; L573-V577 WeakPolarHBondContact O-CB 3.27Å; L573-V577 PolarHBondContact O-N 3.3Å; V577-P581 WeakPolarHBondContact O-CG 3.48Å; V577-F626 WeakPolarHBondContact O-CE1 3.43Å; V577-F626 WeakPolarHBondContact O-CZ 3.09Å; V577-Y629 HydrophobicContact CG1-CD2 4.47Å; V577-Y629 HydrophobicContact CG1-CE1 4.18Å; V577-Y629 HydrophobicContact CG1-CE2 3.96Å; V577-I691 HydrophobicContact CG1-CD1 4.18Å |
| 578 | L | 85.8 | Confident | 77.1 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -97.5 | -60.5 | -175.3 | 174.6 | 60.2 | 0 | 0 | 0 | 112.6 | F574 S582 F626 T690 I691 A694 Y695 M765 | F574-L578 HydrophobicContact CD2-CD2 3.89Å; F574-L578 HydrophobicContact CE2-CD2 3.85Å; F574-L578 CarbonylContact O-C 3.48Å; F574-L578 WeakPolarHBondContact O-CA 3.31Å; F574-L578 WeakPolarHBondContact O-CB 3.43Å; F574-L578 PolarHBondContact O-N 3.13Å; L578-S582 VanDerWaalsContact O-CB 3.25Å; L578-S582 WeakPolarHBondContact O-CB 3.32Å; L578-S582 PolarHBondContact O-N 3.35Å; L578-S582 PolarHBondContact O-OG 2.78Å; L578-F626 HydrophobicContact CD1-CE1 4.1Å; L578-F626 HydrophobicContact CD1-CZ 3.99Å; L578-T690 HydrophobicContact CD2-CG2 3.64Å; L578-I691 HydrophobicContact CB-CG1 4.21Å; L578-I691 HydrophobicContact CD1-CG1 4.17Å; L578-I691 HydrophobicContact CD2-CG1 4.27Å; L578-I691 HydrophobicContact CG-CG1 4.45Å; L578-A694 HydrophobicContact CD1-CB 4.44Å; L578-A694 HydrophobicContact CD2-CB 4.43Å; L578-Y695 HydrophobicContact CD1-CD2 4.15Å; L578-Y695 HydrophobicContact CD1-CE2 3.63Å; L578-M765 HydrophobicContact CD2-CG 4.41Å |
| 579 | L | 83.8 | Confident | 75.3 | Confident | 41 Ų | 41 | 33.3 Ų | 33.3 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -68 | -53.4 | -168.6 | -170.1 | 69.8 | 0 | 0 | 0 | 112.9 | F574 F575 S582 L583 M765 | F574-L579 HydrophobicContact CE1-CB 4.41Å; F574-L579 PolarHBondContact O-N 2.88Å; F575-L579 HydrophobicContact CD1-CB 4.33Å; F575-L579 HydrophobicContact CD1-CD2 3.47Å; F575-L579 VanDerWaalsContact CD1-CD2 3.47Å; F575-L579 HydrophobicContact CE1-CD2 3.7Å; L579-S582 WeakPolarHBondContact O-CB 3.44Å; L579-S582 PolarHBondContact O-N 2.98Å; L579-L583 HydrophobicContact CD1-CD1 4.32Å; L579-L583 HydrophobicContact CD2-CD1 4.46Å; L579-L583 HydrophobicContact CG-CD1 3.95Å; L579-L583 WeakPolarHBondContact O-CG 3.36Å; L579-L583 PolarHBondContact O-N 2.74Å; L579-M765 HydrophobicContact CD1-CE 3.95Å; L579-M765 HydrophobicContact CD1-SD 4.28Å |
| 580 | L | 77.3 | Confident | 73.6 | Confident | 43 Ų | 43 | 34.9 Ų | 34.9 | 23% | 0.225 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.7 | -49 | -175.9 | -77.7 | 172.8 | 0 | 0 | 0 | 113 | F575 S582 L583 G584 I585 | F575-L580 WeakPolarHBondContact O-CB 3.48Å; F575-L580 WeakPolarHBondContact O-CG 3.47Å; F575-L580 PolarHBondContact O-N 2.84Å; L580-S582 VanDerWaalsContact C-N 3.31Å; L580-S582 PolarHBondContact O-N 3.11Å; L580-L583 PolarHBondContact O-N 3.12Å; L580-G584 PolarHBondContact O-N 3.37Å; L580-I585 HydrophobicContact CD2-CB 4.25Å; L580-I585 HydrophobicContact CD2-CD1 4.39Å; L580-I585 HydrophobicContact CD2-CG2 4.08Å; L580-I585 PolarHBondContact O-N 2.76Å |
| 581 | P | 73.3 | Confident | 71.7 | Confident | 22 Ų | 22 | 35.9 Ų | 35.9 | 14% | 0.143 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.8 | -33.4 | 175.9 | -25.1 | 38 | 0 | 0 | 0 | 113.1 | T576 V577 L583 G584 L625 F626 | T576-P581 WeakPolarHBondContact O-CD 3.23Å; V577-P581 WeakPolarHBondContact O-CG 3.48Å; P581-L583 VanDerWaalsContact C-N 3.29Å; P581-L583 PolarHBondContact O-N 3.38Å; P581-G584 PolarHBondContact O-N 3.19Å; P581-G584 VanDerWaalsContact O-N 3.11Å; P581-L625 HydrophobicContact CB-CD2 4.17Å; P581-F626 HydrophobicContact CB-CZ 4.2Å |
| 582 | S | 77.2 | Confident | 70.1 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.2 | -34.1 | 176.4 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | L578 L579 L580 G584 F618 Y695 | L578-S582 VanDerWaalsContact O-CB 3.25Å; L578-S582 WeakPolarHBondContact O-CB 3.32Å; L578-S582 PolarHBondContact O-N 3.35Å; L578-S582 PolarHBondContact O-OG 2.78Å; L579-S582 WeakPolarHBondContact O-CB 3.44Å; L579-S582 PolarHBondContact O-N 2.98Å; L580-S582 VanDerWaalsContact C-N 3.31Å; L580-S582 PolarHBondContact O-N 3.11Å; S582-G584 PolarHBondContact O-N 3.12Å; S582-F618 WeakPolarHBondContact O-CA 3.13Å; S582-F618 WeakPolarHBondContact O-CD1 3.48Å; S582-F618 PolarHBondContact O-N 3.46Å; S582-Y695 VanDerWaalsContact CB-OH 3.3Å; S582-Y695 WeakPolarHBondContact CB-OH 3.16Å; S582-Y695 PolarHBondContact OG-OH 3.05Å |
| 583 | L | 72.3 | Confident | 68.7 | Low | 48 Ų | 48 | 40.2 Ų | 40.2 | 25% | 0.251 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -2.8 | 175.5 | -66.7 | 172.1 | 0 | 0 | 0 | 113.3 | L579 L580 P581 I585 F618 | L579-L583 HydrophobicContact CD1-CD1 4.32Å; L579-L583 HydrophobicContact CD2-CD1 4.46Å; L579-L583 HydrophobicContact CG-CD1 3.95Å; L579-L583 WeakPolarHBondContact O-CG 3.36Å; L579-L583 PolarHBondContact O-N 2.74Å; L580-L583 PolarHBondContact O-N 3.12Å; P581-L583 VanDerWaalsContact C-N 3.29Å; P581-L583 PolarHBondContact O-N 3.38Å; L583-I585 HydrophobicContact CB-CD1 3.67Å; L583-I585 HydrophobicContact CB-CG1 3.93Å; L583-I585 HydrophobicContact CD1-CD1 3.87Å; L583-I585 HydrophobicContact CG-CD1 4.42Å; L583-I585 PolarHBondContact O-N 3.45Å; L583-F618 HydrophobicContact CD2-CE1 4.29Å; L583-F618 HydrophobicContact CD2-CE2 3.76Å; L583-F618 HydrophobicContact CD2-CZ 3.45Å; L583-F618 VanDerWaalsContact CD2-CZ 3.45Å; L583-F618 HydrophobicContact CG-CZ 4.37Å |
| 584 | G | 60.2 | Low | 66.9 | Low | 45 Ų | 45 | 42.4 Ų | 42.4 | 46% | 0.464 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 12.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L580 P581 S582 T586 | L580-G584 PolarHBondContact O-N 3.37Å; P581-G584 PolarHBondContact O-N 3.19Å; P581-G584 VanDerWaalsContact O-N 3.11Å; S582-G584 PolarHBondContact O-N 3.12Å; G584-T586 PolarHBondContact O-N 3.34Å |
| 585 | I | 55.2 | Low | 65.6 | Low | 29 Ų | 29 | 46.4 Ų | 46.4 | 15% | 0.149 | 26% | 0.255 | C | S | . | . | trans | -79.8 | 113 | 179.5 | -65.9 | 165.1 | 0 | 0 | 0 | 107.7 | L580 L583 G587 L591 F612 | L580-I585 HydrophobicContact CD2-CB 4.25Å; L580-I585 HydrophobicContact CD2-CD1 4.39Å; L580-I585 HydrophobicContact CD2-CG2 4.08Å; L580-I585 PolarHBondContact O-N 2.76Å; L583-I585 HydrophobicContact CB-CD1 3.67Å; L583-I585 HydrophobicContact CB-CG1 3.93Å; L583-I585 HydrophobicContact CD1-CD1 3.87Å; L583-I585 HydrophobicContact CG-CD1 4.42Å; L583-I585 PolarHBondContact O-N 3.45Å; I585-G587 PolarHBondContact O-N 3.38Å; I585-L591 HydrophobicContact CD1-CD1 4.11Å; I585-L591 HydrophobicContact CD1-CD2 4.42Å; I585-L591 HydrophobicContact CG1-CD1 4.42Å; I585-L591 HydrophobicContact CG1-CD2 4.14Å; I585-L591 HydrophobicContact CG2-CD1 3.53Å; I585-L591 HydrophobicContact CG2-CD2 4.03Å; I585-L591 HydrophobicContact CG2-CG 3.55Å; I585-F612 HydrophobicContact CG1-CE1 4.43Å | ||
| 586 | T | 52.9 | Low | 64.4 | Low | 65 Ų | 65 | 47.5 Ų | 47.5 | 40% | 0.399 | 26% | 0.264 | S | S | . | . | trans | -72.1 | 4 | 179.6 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | V503 G584 A590 | V503-T586 HydrophobicContact CG1-CG2 3.82Å; G584-T586 PolarHBondContact O-N 3.34Å; T586-A590 VanDerWaalsContact OG1-CB 3.26Å; T586-A590 WeakPolarHBondContact OG1-CB 3.43Å | ||
| 587 | G | 50.2 | Low | 63.4 | Low | 3 Ų | 3 | 50.7 Ų | 50.7 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | trans | 131.4 | 158.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | I585 P589 A590 L591 | I585-G587 PolarHBondContact O-N 3.38Å; G587-P589 VanDerWaalsContact C-N 3.34Å; G587-A590 PolarHBondContact O-N 3.45Å; G587-L591 PolarHBondContact O-N 3.19Å; G587-L591 VanDerWaalsContact O-N 3.13Å | ||
| 588 | F | 52.9 | Low | 62 | Low | 89 Ų | 89 | 52 Ų | 52 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.2 | -27.4 | 177.2 | -153.1 | -94.9 | 0 | 0 | 0 | 114.2 | F497 A590 L591 L592 | F497-F588 HydrophobicContact CD1-CB 4.07Å; F497-F588 HydrophobicContact CD1-CG 4.49Å; F497-F588 HydrophobicContact CE1-CB 4.31Å; F497-F588 HydrophobicContact CE1-CG 4.34Å; F588-A590 VanDerWaalsContact C-N 3.29Å; F588-A590 PolarHBondContact O-N 3.21Å; F588-L591 HydrophobicContact CD2-CB 4.2Å; F588-L591 HydrophobicContact CD2-CD1 3.53Å; F588-L591 HydrophobicContact CD2-CG 4.49Å; F588-L591 HydrophobicContact CE2-CB 4.49Å; F588-L591 HydrophobicContact CE2-CD1 3.96Å; F588-L591 HydrophobicContact CG-CB 4.4Å; F588-L591 HydrophobicContact CG-CD1 4.34Å; F588-L591 CarbonylContact O-C 3.58Å; F588-L591 WeakPolarHBondContact O-CB 3.32Å; F588-L591 PolarHBondContact O-N 2.93Å; F588-L591 VanDerWaalsContact O-N 3.17Å; F588-L592 HydrophobicContact CD1-CB 4.11Å; F588-L592 HydrophobicContact CD1-CD1 4.17Å; F588-L592 HydrophobicContact CE1-CB 4.2Å; F588-L592 HydrophobicContact CE1-CD1 3.75Å; F588-L592 WeakPolarHBondContact O-CB 3.45Å; F588-L592 PolarHBondContact O-N 3.47Å |
| 589 | P | 53.5 | Low | 60.2 | Low | 61 Ų | 61 | 61 Ų | 61 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 172.6 | -23.9 | 34 | 0 | 0 | 0 | 112.5 | G587 L592 H593 | G587-P589 VanDerWaalsContact C-N 3.34Å; P589-L592 PolarHBondContact O-N 3.15Å; P589-H593 WeakPolarHBondContact O-CB 3.5Å; P589-H593 PolarHBondContact O-N 3.13Å |
| 590 | A | 54.5 | Low | 58.6 | Low | 33 Ų | 33 | 63.8 Ų | 63.8 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | T586 G587 F588 L592 Q594 | T586-A590 VanDerWaalsContact OG1-CB 3.26Å; T586-A590 WeakPolarHBondContact OG1-CB 3.43Å; G587-A590 PolarHBondContact O-N 3.45Å; F588-A590 VanDerWaalsContact C-N 3.29Å; F588-A590 PolarHBondContact O-N 3.21Å; A590-L592 PolarHBondContact O-N 2.84Å; A590-Q594 WeakPolarHBondContact O-CB 3.37Å; A590-Q594 PolarHBondContact O-N 3.41Å |
| 591 | L | 53.5 | Low | 57 | Low | 21 Ų | 21 | 66.8 Ų | 66.8 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 172 | -71.2 | 177.2 | 0 | 0 | 0 | 112.7 | I585 G587 F588 Q594 L595 F612 | I585-L591 HydrophobicContact CD1-CD1 4.11Å; I585-L591 HydrophobicContact CD1-CD2 4.42Å; I585-L591 HydrophobicContact CG1-CD1 4.42Å; I585-L591 HydrophobicContact CG1-CD2 4.14Å; I585-L591 HydrophobicContact CG2-CD1 3.53Å; I585-L591 HydrophobicContact CG2-CD2 4.03Å; I585-L591 HydrophobicContact CG2-CG 3.55Å; G587-L591 PolarHBondContact O-N 3.19Å; G587-L591 VanDerWaalsContact O-N 3.13Å; F588-L591 HydrophobicContact CD2-CB 4.2Å; F588-L591 HydrophobicContact CD2-CD1 3.53Å; F588-L591 HydrophobicContact CD2-CG 4.49Å; F588-L591 HydrophobicContact CE2-CB 4.49Å; F588-L591 HydrophobicContact CE2-CD1 3.96Å; F588-L591 HydrophobicContact CG-CB 4.4Å; F588-L591 HydrophobicContact CG-CD1 4.34Å; F588-L591 CarbonylContact O-C 3.58Å; F588-L591 WeakPolarHBondContact O-CB 3.32Å; F588-L591 PolarHBondContact O-N 2.93Å; F588-L591 VanDerWaalsContact O-N 3.17Å; L591-Q594 CarbonylContact O-C 3.53Å; L591-Q594 PolarHBondContact O-N 2.93Å; L591-L595 VanDerWaalsContact O-CB 3.22Å; L591-L595 WeakPolarHBondContact O-CB 3.23Å; L591-L595 WeakPolarHBondContact O-CG 3.37Å; L591-L595 PolarHBondContact O-N 2.8Å; L591-F612 HydrophobicContact CD2-CE1 3.76Å; L591-F612 HydrophobicContact CD2-CZ 3.53Å |
| 592 | L | 57.6 | Low | 55.9 | Low | 85 Ų | 85 | 74.6 Ų | 74.6 | 45% | 0.445 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -72.2 | -45.3 | -176.4 | -170.6 | 123.8 | 0 | 0 | 0 | 109.7 | F588 P589 A590 Q594 L595 I596 | F588-L592 HydrophobicContact CD1-CB 4.11Å; F588-L592 HydrophobicContact CD1-CD1 4.17Å; F588-L592 HydrophobicContact CE1-CB 4.2Å; F588-L592 HydrophobicContact CE1-CD1 3.75Å; F588-L592 WeakPolarHBondContact O-CB 3.45Å; F588-L592 PolarHBondContact O-N 3.47Å; P589-L592 PolarHBondContact O-N 3.15Å; A590-L592 PolarHBondContact O-N 2.84Å; L592-Q594 PolarHBondContact O-N 2.71Å; L592-L595 PolarHBondContact O-N 3.24Å; L592-I596 HydrophobicContact CD2-CD1 3.37Å; L592-I596 HydrophobicContact CG-CD1 3.73Å; L592-I596 HydrophobicContact CG-CG1 4.43Å; L592-I596 VanDerWaalsContact O-CB 3.23Å; L592-I596 WeakPolarHBondContact O-CB 3.32Å; L592-I596 WeakPolarHBondContact O-CD1 3.44Å; L592-I596 WeakPolarHBondContact O-CG1 3.4Å; L592-I596 PolarHBondContact O-N 2.84Å |
| 593 | H | 57.4 | Low | 54.8 | Low | 127 Ų | 127 | 79 Ų | 79 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -56.6 | -41.6 | 169.5 | -175.3 | -90.5 | 0 | 0 | 0 | 110.6 | P589 I596 T597 | P589-H593 WeakPolarHBondContact O-CB 3.5Å; P589-H593 PolarHBondContact O-N 3.13Å; H593-I596 PolarHBondContact O-N 3.31Å; H593-T597 VanDerWaalsContact O-CB 3.23Å; H593-T597 WeakPolarHBondContact O-CB 3.35Å; H593-T597 WeakPolarHBondContact O-CG2 3.31Å; H593-T597 PolarHBondContact O-N 3.07Å; H593-T597 PolarHBondContact O-OG1 3.38Å |
| 594 | Q | 52.5 | Low | 53.5 | Low | 45 Ų | 45 | 81.6 Ų | 81.6 | 21% | 0.21 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -71.2 | -39.8 | 178.8 | -169.8 | 169.4 | 3.2 | 0 | 0 | 112.8 | A590 L591 L592 I596 T598 V610 P611 | A590-Q594 WeakPolarHBondContact O-CB 3.37Å; A590-Q594 PolarHBondContact O-N 3.41Å; L591-Q594 CarbonylContact O-C 3.53Å; L591-Q594 PolarHBondContact O-N 2.93Å; L592-Q594 PolarHBondContact O-N 2.71Å; Q594-I596 VanDerWaalsContact C-N 3.32Å; Q594-T598 VanDerWaalsContact O-CG2 3.27Å; Q594-T598 WeakPolarHBondContact O-CG2 3.36Å; Q594-T598 PolarHBondContact O-N 3.26Å; Q594-T598 PolarHBondContact O-OG1 3.26Å; Q594-V610 HydrophobicContact CG-CG1 4.49Å; Q594-P611 HydrophobicContact CG-CG 4.34Å; Q594-P611 PolarHBondContact NE2-O 2.95Å |
| 595 | L | 61.8 | Low | 52.9 | Low | 101 Ų | 101 | 84.6 Ų | 84.6 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.7 | -27.2 | 174.4 | -75.2 | 166.8 | 0 | 0 | 0 | 112.6 | L591 L592 T598 | L591-L595 VanDerWaalsContact O-CB 3.22Å; L591-L595 WeakPolarHBondContact O-CB 3.23Å; L591-L595 WeakPolarHBondContact O-CG 3.37Å; L591-L595 PolarHBondContact O-N 2.8Å; L592-L595 PolarHBondContact O-N 3.24Å; L595-T598 VanDerWaalsContact C-OG1 3.28Å; L595-T598 PolarHBondContact O-OG1 3.27Å |
| 596 | I | 61.1 | Low | 52.5 | Low | 124 Ų | 124 | 93 Ų | 93 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -84.5 | -39.8 | 175.7 | -68.8 | 167.7 | 0 | 0 | 0 | 110.3 | L592 H593 Q594 T598 | L592-I596 HydrophobicContact CD2-CD1 3.37Å; L592-I596 HydrophobicContact CG-CD1 3.73Å; L592-I596 HydrophobicContact CG-CG1 4.43Å; L592-I596 VanDerWaalsContact O-CB 3.23Å; L592-I596 WeakPolarHBondContact O-CB 3.32Å; L592-I596 WeakPolarHBondContact O-CD1 3.44Å; L592-I596 WeakPolarHBondContact O-CG1 3.4Å; L592-I596 PolarHBondContact O-N 2.84Å; H593-I596 PolarHBondContact O-N 3.31Å; Q594-I596 VanDerWaalsContact C-N 3.32Å; I596-T598 VanDerWaalsContact C-N 3.31Å |
| 597 | T | 57.4 | Low | 51.8 | Low | 79 Ų | 79 | 92.1 Ų | 92.1 | 49% | 0.485 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -83.4 | -3.5 | 179.7 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | H593 K599 | H593-T597 VanDerWaalsContact O-CB 3.23Å; H593-T597 WeakPolarHBondContact O-CB 3.35Å; H593-T597 WeakPolarHBondContact O-CG2 3.31Å; H593-T597 PolarHBondContact O-N 3.07Å; H593-T597 PolarHBondContact O-OG1 3.38Å; T597-K599 VanDerWaalsContact C-N 3.26Å; T597-K599 PolarHBondContact O-N 3.06Å |
| 598 | T | 51.5 | Low | 51.2 | Low | 30 Ų | 30 | 97.9 Ų | 97.9 | 18% | 0.184 | 52% | 0.521 | C | S | . | . | trans | -60.2 | 93.4 | 165.7 | 36.1 | 0 | 0 | 0 | 0 | 108.8 | Q594 L595 I596 V600 V610 | Q594-T598 VanDerWaalsContact O-CG2 3.27Å; Q594-T598 WeakPolarHBondContact O-CG2 3.36Å; Q594-T598 PolarHBondContact O-N 3.26Å; Q594-T598 PolarHBondContact O-OG1 3.26Å; L595-T598 VanDerWaalsContact C-OG1 3.28Å; L595-T598 PolarHBondContact O-OG1 3.27Å; I596-T598 VanDerWaalsContact C-N 3.31Å; T598-V600 PolarHBondContact O-N 3.45Å; T598-V600 VanDerWaalsContact O-N 3.09Å; T598-V610 HydrophobicContact CG2-CG1 4.35Å | ||
| 599 | K | 48.9 | Very low | 50.4 | Low | 189 Ų | 189 | 103.6 Ų | 103.6 | 82% | 0.822 | 54% | 0.541 | S | S | * | . | trans | -58.3 | 111.9 | 166.3 | -93 | -177.5 | 173.4 | 179.9 | 0 | 107.5 | T597 N601 | T597-K599 VanDerWaalsContact C-N 3.26Å; T597-K599 PolarHBondContact O-N 3.06Å; K599-N601 PolarHBondContact O-N 3.08Å | ||
| 600 | V | 50 | Low | 49.7 | Very low | 100 Ų | 100 | 102.3 Ų | 102.3 | 61% | 0.606 | 53% | 0.532 | S | S | * | . | trans | -64.4 | 104.1 | 164.7 | -179.8 | 0 | 0 | 0 | 0 | 106.2 | T598 H602 | T598-V600 PolarHBondContact O-N 3.45Å; T598-V600 VanDerWaalsContact O-N 3.09Å; V600-H602 PolarHBondContact O-N 2.93Å; V600-H602 VanDerWaalsContact O-N 3.15Å | ||
| 601 | N | 42.7 | Very low | 48.9 | Very low | 106 Ų | 106 | 104.8 Ų | 104.8 | 57% | 0.567 | 55% | 0.545 | S | S | * | . | trans | -67.1 | 114.2 | 169.8 | -96.1 | -9.9 | 0 | 0 | 0 | 107.7 | K599 S603 N604 | K599-N601 PolarHBondContact O-N 3.08Å; N601-S603 PolarHBondContact O-N 3.02Å; N601-N604 CarbonylContact O-C 3.55Å; N601-N604 PolarHBondContact O-N 3.33Å | ||
| 602 | H | 50.4 | Low | 48.4 | Very low | 185 Ų | 185 | 107.7 Ų | 107.7 | 86% | 0.856 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -20.5 | -179.8 | -82.5 | -79.4 | 0 | 0 | 0 | 113.9 | V600 | V600-H602 PolarHBondContact O-N 2.93Å; V600-H602 VanDerWaalsContact O-N 3.15Å |
| 603 | S | 54.7 | Low | 47.7 | Very low | 95 Ų | 95 | 110 Ų | 110 | 66% | 0.664 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -24.4 | -179.1 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | N601 | N601-S603 PolarHBondContact O-N 3.02Š|
| 604 | N | 45.3 | Very low | 47 | Very low | 102 Ų | 102 | 107.8 Ų | 107.8 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | trans | -147.1 | 90 | 178.9 | -74.2 | -34.8 | 0 | 0 | 0 | 110.2 | N601 F606 A607 | N601-N604 CarbonylContact O-C 3.55Å; N601-N604 PolarHBondContact O-N 3.33Å; N604-F606 PolarHBondContact O-N 3.11Å; N604-F606 VanDerWaalsContact O-N 3.09Å; N604-A607 HydrophobicContact CB-CB 3.61Å; N604-A607 PolarHBondContact O-N 3.1Å | ||
| 605 | P | 47.2 | Very low | 46.5 | Very low | 108 Ų | 108 | 110.3 Ų | 110.3 | 70% | 0.701 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -19.2 | -179.3 | 22.8 | -32 | 0 | 0 | 0 | 113.7 | ||
| 606 | F | 46.2 | Very low | 45.8 | Very low | 206 Ų | 206 | 106.8 Ų | 106.8 | 90% | 0.904 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -10.8 | 173.8 | -93.3 | -86.3 | 0 | 0 | 0 | 114.5 | N604 L608 | N604-F606 PolarHBondContact O-N 3.11Å; N604-F606 VanDerWaalsContact O-N 3.09Å; F606-L608 PolarHBondContact O-N 3.42Å |
| 607 | A | 39.1 | Very low | 45.3 | Very low | 46 Ų | 46 | 102.7 Ų | 102.7 | 38% | 0.38 | 53% | 0.53 | S | S | . | . | trans | -85 | 67.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | N604 Y609 | N604-A607 HydrophobicContact CB-CB 3.61Å; N604-A607 PolarHBondContact O-N 3.1Å; A607-Y609 PolarHBondContact O-N 3.02Å | ||
| 608 | L | 37 | Very low | 44.9 | Very low | 124 Ų | 124 | 100.1 Ų | 100.1 | 65% | 0.649 | 51% | 0.512 | S | S | * | . | trans | -68.8 | 81.4 | 169.9 | -167.9 | 79.2 | 0 | 0 | 0 | 108.3 | F606 V610 | F606-L608 PolarHBondContact O-N 3.42Å; L608-V610 HydrophobicContact CD1-CG2 4.48Å; L608-V610 HydrophobicContact CD2-CG2 3.47Å; L608-V610 VanDerWaalsContact CD2-CG2 3.47Å; L608-V610 HydrophobicContact CG-CG2 3.56Å; L608-V610 PolarHBondContact O-N 3.3Å | ||
| 609 | Y | 36 | Very low | 44.8 | Very low | 208 Ų | 208 | 100.2 Ų | 100.2 | 82% | 0.816 | 51% | 0.511 | S | S | * | . | trans | -70.8 | 79.4 | 166.2 | -105.5 | -88 | 0 | 0 | 0 | 107.5 | A607 P611 | A607-Y609 PolarHBondContact O-N 3.02Å; Y609-P611 VanDerWaalsContact O-CD 3.31Å; Y609-P611 WeakPolarHBondContact O-CD 3.04Å | ||
| 610 | V | 39.7 | Very low | 44.9 | Very low | 34 Ų | 34 | 91.4 Ų | 91.4 | 21% | 0.206 | 47% | 0.474 | C | S | . | . | trans | -73.7 | 119.8 | 159.7 | -161.7 | 0 | 0 | 0 | 0 | 104.9 | Q594 T598 L608 F612 | Q594-V610 HydrophobicContact CG-CG1 4.49Å; T598-V610 HydrophobicContact CG2-CG1 4.35Å; L608-V610 HydrophobicContact CD1-CG2 4.48Å; L608-V610 HydrophobicContact CD2-CG2 3.47Å; L608-V610 VanDerWaalsContact CD2-CG2 3.47Å; L608-V610 HydrophobicContact CG-CG2 3.56Å; L608-V610 PolarHBondContact O-N 3.3Å; V610-F612 HydrophobicContact CB-CD2 3.8Å; V610-F612 HydrophobicContact CB-CE2 4.49Å; V610-F612 HydrophobicContact CG1-CD2 3.27Å; V610-F612 HydrophobicContact CG1-CE2 3.67Å; V610-F612 HydrophobicContact CG1-CG 4.15Å; V610-F612 PolarHBondContact O-N 2.8Å | ||
| 611 | P | 37.4 | Very low | 45.3 | Very low | 85 Ų | 85 | 88.9 Ų | 88.9 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | trans | -74.8 | 44.7 | 171.9 | 30.7 | -29.3 | 0 | 0 | 0 | 109.3 | Q594 Y609 R613 | Q594-P611 HydrophobicContact CG-CG 4.34Å; Q594-P611 PolarHBondContact NE2-O 2.95Å; Y609-P611 VanDerWaalsContact O-CD 3.31Å; Y609-P611 WeakPolarHBondContact O-CD 3.04Å; P611-R613 VanDerWaalsContact C-N 3.27Å; P611-R613 PolarHBondContact O-N 2.7Å | ||
| 612 | F | 43.7 | Very low | 46.5 | Very low | 82 Ų | 82 | 84.8 Ų | 84.8 | 36% | 0.36 | 44% | 0.436 | S | S | . | . | trans | -57.3 | 107.6 | 152.2 | -87 | -70.9 | 0 | 0 | 0 | 103.5 | I585 L591 V610 T614 | I585-F612 HydrophobicContact CG1-CE1 4.43Å; L591-F612 HydrophobicContact CD2-CE1 3.76Å; L591-F612 HydrophobicContact CD2-CZ 3.53Å; V610-F612 HydrophobicContact CB-CD2 3.8Å; V610-F612 HydrophobicContact CB-CE2 4.49Å; V610-F612 HydrophobicContact CG1-CD2 3.27Å; V610-F612 HydrophobicContact CG1-CE2 3.67Å; V610-F612 HydrophobicContact CG1-CG 4.15Å; V610-F612 PolarHBondContact O-N 2.8Å; F612-T614 HydrophobicContact CB-CG2 4.2Å; F612-T614 PolarHBondContact O-N 3.37Å | ||
| 613 | R | 41.6 | Very low | 47.7 | Very low | 135 Ų | 135 | 76 Ų | 76 | 51% | 0.509 | 40% | 0.396 | S | S | . | . | trans | -65.4 | 85.1 | 159.5 | -85.4 | 177.4 | -178 | -119.4 | 10.4 | 105.4 | T3 P611 E615 C616 | T3-R613 PolarHBondContact OG1-NH1 3.18Å; P611-R613 VanDerWaalsContact C-N 3.27Å; P611-R613 PolarHBondContact O-N 2.7Å; R613-E615 PolarHBondContact O-N 2.84Å; R613-E615 VanDerWaalsContact O-N 3.12Å; R613-C616 HydrophobicContact CB-CB 4.45Å; R613-C616 WeakPolarHBondContact O-CB 3.12Å; R613-C616 PolarHBondContact O-N 2.91Å | ||
| 614 | T | 42.4 | Very low | 48.9 | Very low | 80 Ų | 80 | 71.5 Ų | 71.5 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -53.8 | -28.3 | 175.5 | 48.5 | 0 | 0 | 0 | 0 | 110.3 | F612 C616 I617 L776 | F612-T614 HydrophobicContact CB-CG2 4.2Å; F612-T614 PolarHBondContact O-N 3.37Å; T614-C616 PolarHBondContact O-N 2.95Å; T614-C616 VanDerWaalsContact O-N 3.07Å; T614-I617 HydrophobicContact CG2-CD1 4.43Å; T614-I617 PolarHBondContact O-N 3.46Å; T614-L776 WeakPolarHBondContact O-CD2 3.41Å |
| 615 | E | 42.2 | Very low | 50.5 | Low | 98 Ų | 98 | 67.7 Ų | 67.7 | 46% | 0.458 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -53.2 | -22.2 | 169.5 | -64.4 | -176.8 | -158.5 | 0 | 0 | 115.3 | M1 R613 | M1-E615 PolarHBondContact N-OE2 2.85Å; R613-E615 PolarHBondContact O-N 2.84Å; R613-E615 VanDerWaalsContact O-N 3.12Å |
| 616 | C | 47.6 | Very low | 52.5 | Low | 26 Ų | 26 | 62.6 Ų | 62.6 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -102.3 | -2.9 | -175 | -51.8 | 0 | 0 | 0 | 0 | 113.9 | C4 R613 T614 | C4-C616 WeakPolarHBondContact CA-SG 3.28Å; C4-C616 HydrophobicContact CB-CB 3.64Å; C4-C616 WeakPolarHBondContact CB-SG 3.25Å; C4-C616 WeakPolarHBondContact SG-CA 3.45Å; C4-C616 WeakPolarHBondContact SG-CB 3.39Å; C4-C616 CovalentContact SG-SG 2.05Å; C4-C616 PolarHBondContact SG-SG 3.13Å; R613-C616 HydrophobicContact CB-CB 4.45Å; R613-C616 WeakPolarHBondContact O-CB 3.12Å; R613-C616 PolarHBondContact O-N 2.91Å; T614-C616 PolarHBondContact O-N 2.95Å; T614-C616 VanDerWaalsContact O-N 3.07Å |
| 617 | I | 49.8 | Very low | 54.6 | Low | 38 Ų | 38 | 52.8 Ų | 52.8 | 20% | 0.195 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 128.3 | -179 | -68.3 | 171.8 | 0 | 0 | 0 | 108.7 | T614 L619 L776 | T614-I617 HydrophobicContact CG2-CD1 4.43Å; T614-I617 PolarHBondContact O-N 3.46Å; I617-L619 VanDerWaalsContact C-N 3.26Å; I617-L619 PolarHBondContact O-N 3.03Å; I617-L776 WeakPolarHBondContact O-CD1 3.4Å |
| 618 | F | 50.4 | Low | 56.9 | Low | 25 Ų | 25 | 50.6 Ų | 50.6 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 31.7 | -178.1 | -54.3 | -76.7 | 0 | 0 | 0 | 116.1 | S582 L583 I768 N769 A772 | S582-F618 WeakPolarHBondContact O-CA 3.13Å; S582-F618 WeakPolarHBondContact O-CD1 3.48Å; S582-F618 PolarHBondContact O-N 3.46Å; L583-F618 HydrophobicContact CD2-CE1 4.29Å; L583-F618 HydrophobicContact CD2-CE2 3.76Å; L583-F618 HydrophobicContact CD2-CZ 3.45Å; L583-F618 VanDerWaalsContact CD2-CZ 3.45Å; L583-F618 HydrophobicContact CG-CZ 4.37Å; F618-I768 HydrophobicContact CZ-CG2 4.42Å; F618-N769 VanDerWaalsContact CD1-OD1 3.3Å; F618-N769 WeakPolarHBondContact CD1-OD1 3.49Å; F618-N769 WeakPolarHBondContact CE1-OD1 3.43Å; F618-A772 HydrophobicContact CB-CB 4.33Å; F618-A772 HydrophobicContact CD2-CB 3.2Å; F618-A772 HydrophobicContact CE2-CB 3.56Å; F618-A772 HydrophobicContact CG-CB 3.87Å; F618-A772 HydrophobicContact CZ-CB 4.43Å |
| 619 | L | 49.6 | Very low | 59.4 | Low | 33 Ų | 33 | 44.7 Ų | 44.7 | 17% | 0.173 | 22% | 0.218 | C | C | . | . | trans | -63.9 | 135.1 | 177.8 | -155.5 | 71.7 | 0 | 0 | 0 | 109.8 | C4 I617 D621 S622 | C4-L619 HydrophobicContact CB-CD2 3.66Å; I617-L619 VanDerWaalsContact C-N 3.26Å; I617-L619 PolarHBondContact O-N 3.03Å; L619-D621 HydrophobicContact CD2-CB 4.01Å; L619-D621 WeakPolarHBondContact CD2-OD2 3.43Å; L619-D621 HydrophobicContact CG-CB 4.33Å; L619-D621 PolarHBondContact O-N 3Å; L619-S622 VanDerWaalsContact O-CB 3.27Å; L619-S622 WeakPolarHBondContact O-CB 3.23Å; L619-S622 PolarHBondContact O-N 2.99Å; L619-S622 PolarHBondContact O-OG 2.99Å | ||
| 620 | P | 50.7 | Low | 62.1 | Low | 4 Ų | 4 | 34.8 Ų | 34.8 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -17.1 | 177 | 9.8 | -20.8 | 0 | 0 | 0 | 114.8 | T136 A138 S622 G623 V698 | T136-P620 HydrophobicContact CG2-CB 4.47Å; A138-P620 HydrophobicContact CB-CB 4.1Å; A138-P620 HydrophobicContact CB-CG 3.12Å; P620-S622 PolarHBondContact O-N 3.35Å; P620-G623 VanDerWaalsContact O-CA 3.28Å; P620-G623 WeakPolarHBondContact O-CA 3.32Å; P620-G623 PolarHBondContact O-N 3.28Å; P620-V698 HydrophobicContact CB-CG1 4.05Å |
| 621 | D | 57.6 | Low | 64.7 | Low | 46 Ų | 46 | 33.2 Ų | 33.2 | 25% | 0.246 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58 | -29.3 | 166.8 | -59.5 | 6.3 | 0 | 0 | 0 | 111.7 | L619 G623 A624 | L619-D621 HydrophobicContact CD2-CB 4.01Å; L619-D621 WeakPolarHBondContact CD2-OD2 3.43Å; L619-D621 HydrophobicContact CG-CB 4.33Å; L619-D621 PolarHBondContact O-N 3Å; D621-G623 PolarHBondContact O-N 3.29Å; D621-A624 PolarHBondContact O-N 3.03Å |
| 622 | S | 67.7 | Low | 67.2 | Low | 21 Ų | 21 | 29.2 Ų | 29.2 | 15% | 0.147 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.8 | -28.3 | 169.1 | 76.1 | 0 | 0 | 0 | 0 | 111.8 | L619 P620 A624 L625 F626 Y695 | L619-S622 VanDerWaalsContact O-CB 3.27Å; L619-S622 WeakPolarHBondContact O-CB 3.23Å; L619-S622 PolarHBondContact O-N 2.99Å; L619-S622 PolarHBondContact O-OG 2.99Å; P620-S622 PolarHBondContact O-N 3.35Å; S622-A624 VanDerWaalsContact C-N 3.27Å; S622-A624 PolarHBondContact O-N 3.13Å; S622-L625 VanDerWaalsContact O-CB 3.29Å; S622-L625 WeakPolarHBondContact O-CB 3.19Å; S622-L625 PolarHBondContact O-N 3.37Å; S622-L625 VanDerWaalsContact O-N 3.14Å; S622-F626 WeakPolarHBondContact O-CD2 3.49Å; S622-F626 PolarHBondContact O-N 3.07Å; S622-F626 VanDerWaalsContact O-N 3.15Å; S622-Y695 VanDerWaalsContact OG-CE1 3.31Å; S622-Y695 WeakPolarHBondContact OG-CE1 3.24Å; S622-Y695 PolarHBondContact OG-OH 3.25Å |
| 623 | G | 75.7 | Confident | 69.6 | Low | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.4 | -36.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P620 D621 F626 I627 | P620-G623 VanDerWaalsContact O-CA 3.28Å; P620-G623 WeakPolarHBondContact O-CA 3.32Å; P620-G623 PolarHBondContact O-N 3.28Å; D621-G623 PolarHBondContact O-N 3.29Å; G623-F626 PolarHBondContact O-N 2.96Å; G623-I627 WeakPolarHBondContact O-CD1 3.32Å; G623-I627 VanDerWaalsContact O-CG1 3.26Å; G623-I627 WeakPolarHBondContact O-CG1 3.38Å; G623-I627 PolarHBondContact O-N 3.17Å |
| 624 | A | 80.4 | Confident | 72.1 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.6 | -41 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E22 F132 D621 S622 F626 I627 N628 | E22-A624 HydrophobicContact CB-CB 3.61Å; E22-A624 HydrophobicContact CG-CB 4.15Å; E22-A624 WeakPolarHBondContact OE2-CB 3.48Å; F132-A624 HydrophobicContact CD1-CB 4.44Å; F132-A624 HydrophobicContact CE1-CB 3.81Å; F132-A624 HydrophobicContact CE2-CB 4.28Å; F132-A624 HydrophobicContact CZ-CB 3.73Å; D621-A624 PolarHBondContact O-N 3.03Å; S622-A624 VanDerWaalsContact C-N 3.27Å; S622-A624 PolarHBondContact O-N 3.13Å; A624-F626 VanDerWaalsContact C-N 3.3Å; A624-F626 PolarHBondContact O-N 2.84Å; A624-I627 PolarHBondContact O-N 3.29Å; A624-N628 VanDerWaalsContact O-CB 3.27Å; A624-N628 WeakPolarHBondContact O-CB 3.47Å; A624-N628 VanDerWaalsContact O-CG 3.31Å; A624-N628 PolarHBondContact O-N 3.14Å; A624-N628 PolarHBondContact O-ND2 3.35Å |
| 625 | L | 79.6 | Confident | 74.5 | Confident | 23 Ų | 23 | 16.3 Ų | 16.3 | 12% | 0.12 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56 | -46.1 | 172.9 | -177.6 | 85.8 | 0 | 0 | 0 | 110.8 | L535 P581 S622 N628 Y629 | L535-L625 HydrophobicContact CD2-CD1 4.43Å; L535-L625 HydrophobicContact CD2-CD2 4.12Å; L535-L625 HydrophobicContact CD2-CG 4.21Å; P581-L625 HydrophobicContact CB-CD2 4.17Å; S622-L625 VanDerWaalsContact O-CB 3.29Å; S622-L625 WeakPolarHBondContact O-CB 3.19Å; S622-L625 PolarHBondContact O-N 3.37Å; S622-L625 VanDerWaalsContact O-N 3.14Å; L625-N628 PolarHBondContact O-N 3.41Å; L625-Y629 WeakPolarHBondContact O-CB 3.36Å; L625-Y629 PolarHBondContact O-N 3.32Å |
| 626 | F | 87.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -72.7 | -35.7 | -178.6 | -72.1 | -66.5 | 0 | 0 | 0 | 113.5 | V577 L578 P581 S622 G623 A624 N628 Y629 V630 I691 Y695 I702 | V577-F626 WeakPolarHBondContact O-CE1 3.43Å; V577-F626 WeakPolarHBondContact O-CZ 3.09Å; L578-F626 HydrophobicContact CD1-CE1 4.1Å; L578-F626 HydrophobicContact CD1-CZ 3.99Å; P581-F626 HydrophobicContact CB-CZ 4.2Å; S622-F626 WeakPolarHBondContact O-CD2 3.49Å; S622-F626 PolarHBondContact O-N 3.07Å; S622-F626 VanDerWaalsContact O-N 3.15Å; G623-F626 PolarHBondContact O-N 2.96Å; A624-F626 VanDerWaalsContact C-N 3.3Å; A624-F626 PolarHBondContact O-N 2.84Å; F626-N628 VanDerWaalsContact C-N 3.33Å; F626-Y629 PolarHBondContact O-N 3.4Å; F626-V630 VanDerWaalsContact O-CG2 3.32Å; F626-V630 WeakPolarHBondContact O-CG2 3.06Å; F626-V630 PolarHBondContact O-N 3.01Å; F626-I691 HydrophobicContact CB-CG2 3.93Å; F626-I691 HydrophobicContact CD1-CD1 4.38Å; F626-I691 HydrophobicContact CD1-CG1 4.41Å; F626-I691 HydrophobicContact CD1-CG2 3.63Å; F626-I691 HydrophobicContact CE1-CG2 4.49Å; F626-I691 HydrophobicContact CG-CG2 4.02Å; F626-Y695 HydrophobicContact CB-CD2 4.44Å; F626-Y695 HydrophobicContact CD2-CD1 4.27Å; F626-Y695 AromaticContact CD2-CD2 3.77Å; F626-Y695 HydrophobicContact CD2-CD2 3.77Å; F626-Y695 AromaticContact CD2-CE1 3.84Å; F626-Y695 HydrophobicContact CD2-CE1 3.84Å; F626-Y695 AromaticContact CD2-CE2 3.28Å; F626-Y695 HydrophobicContact CD2-CE2 3.28Å; F626-Y695 HydrophobicContact CD2-CG 4.24Å; F626-Y695 AromaticContact CD2-CZ 3.32Å; F626-Y695 HydrophobicContact CE2-CD2 4.27Å; F626-Y695 HydrophobicContact CE2-CE1 4.25Å; F626-Y695 AromaticContact CE2-CE2 3.36Å; F626-Y695 HydrophobicContact CE2-CE2 3.36Å; F626-Y695 AromaticContact CE2-CZ 3.35Å; F626-Y695 WeakPolarHBondContact CE2-OH 2.99Å; F626-Y695 HydrophobicContact CG-CD2 4.09Å; F626-Y695 AromaticContact CG-CE2 3.98Å; F626-Y695 HydrophobicContact CG-CE2 3.98Å; F626-Y695 HydrophobicContact CZ-CE2 4.07Å; F626-I702 HydrophobicContact CB-CD1 4.03Å |
| 627 | I | 89.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.1 | -48.4 | 170.7 | -68.7 | 158.4 | 0 | 0 | 0 | 109.5 | V24 F132 G623 A624 Y629 V630 I631 C699 I701 I702 F705 | V24-I627 HydrophobicContact CB-CG2 4.46Å; V24-I627 HydrophobicContact CG1-CG2 3.74Å; V24-I627 HydrophobicContact CG2-CB 4.41Å; V24-I627 HydrophobicContact CG2-CG2 3.84Å; F132-I627 HydrophobicContact CE2-CD1 3.68Å; F132-I627 HydrophobicContact CZ-CD1 3.84Å; G623-I627 WeakPolarHBondContact O-CD1 3.32Å; G623-I627 VanDerWaalsContact O-CG1 3.26Å; G623-I627 WeakPolarHBondContact O-CG1 3.38Å; G623-I627 PolarHBondContact O-N 3.17Å; A624-I627 PolarHBondContact O-N 3.29Å; I627-Y629 VanDerWaalsContact C-N 3.31Å; I627-Y629 PolarHBondContact O-N 3.13Å; I627-V630 PolarHBondContact O-N 3.09Å; I627-I631 HydrophobicContact CG2-CD1 3.83Å; I627-I631 HydrophobicContact CG2-CG1 4.48Å; I627-I631 WeakPolarHBondContact O-CG1 3.44Å; I627-I631 PolarHBondContact O-N 2.89Å; I627-C699 HydrophobicContact CD1-CB 4.2Å; I627-I701 HydrophobicContact CD1-CG2 3.42Å; I627-I701 VanDerWaalsContact CD1-CG2 3.42Å; I627-I701 HydrophobicContact CG1-CG2 4.23Å; I627-I702 HydrophobicContact CG1-CB 3.79Å; I627-I702 HydrophobicContact CG1-CD1 4.31Å; I627-I702 HydrophobicContact CG1-CG1 3.91Å; I627-F705 HydrophobicContact CG2-CD2 3.73Å; I627-F705 HydrophobicContact CG2-CE2 3.96Å |
| 628 | N | 88.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 178.2 | -79 | -31.9 | 0 | 0 | 0 | 112.2 | Y9 E22 V24 N27 A532 A624 L625 F626 T632 | Y9-N628 PolarHBondContact OH-ND2 3.02Å; E22-N628 PolarHBondContact O-ND2 3.2Å; V24-N628 WeakPolarHBondContact CA-OD1 3.48Å; N27-N628 WeakPolarHBondContact CB-OD1 3.3Å; N27-N628 WeakPolarHBondContact ND2-CA 3.39Å; N27-N628 WeakPolarHBondContact ND2-CB 3.07Å; N27-N628 VanDerWaalsContact ND2-CG 3.3Å; N27-N628 PolarHBondContact ND2-O 3.07Å; N27-N628 PolarHBondContact ND2-OD1 3.44Å; A532-N628 HydrophobicContact CB-CB 3.91Å; A624-N628 VanDerWaalsContact O-CB 3.27Å; A624-N628 WeakPolarHBondContact O-CB 3.47Å; A624-N628 VanDerWaalsContact O-CG 3.31Å; A624-N628 PolarHBondContact O-N 3.14Å; A624-N628 PolarHBondContact O-ND2 3.35Å; L625-N628 PolarHBondContact O-N 3.41Å; F626-N628 VanDerWaalsContact C-N 3.33Å; N628-T632 WeakPolarHBondContact O-CB 3.18Å; N628-T632 PolarHBondContact O-N 3.03Å; N628-T632 PolarHBondContact O-OG1 2.75Å |
| 629 | Y | 88.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.5 | -48.2 | 173 | 176.8 | -96.9 | 0 | 0 | 0 | 111.9 | L535 A536 V577 L625 F626 I627 I631 T632 C633 V688 I691 | L535-Y629 HydrophobicContact CD2-CD2 3.86Å; L535-Y629 HydrophobicContact CD2-CG 4.4Å; L535-Y629 HydrophobicContact CG-CD2 3.93Å; L535-Y629 HydrophobicContact CG-CE2 4.24Å; A536-Y629 HydrophobicContact CB-CD2 4.44Å; A536-Y629 HydrophobicContact CB-CE2 4.25Å; V577-Y629 HydrophobicContact CG1-CD2 4.47Å; V577-Y629 HydrophobicContact CG1-CE1 4.18Å; V577-Y629 HydrophobicContact CG1-CE2 3.96Å; L625-Y629 WeakPolarHBondContact O-CB 3.36Å; L625-Y629 PolarHBondContact O-N 3.32Å; F626-Y629 PolarHBondContact O-N 3.4Å; I627-Y629 VanDerWaalsContact C-N 3.31Å; I627-Y629 PolarHBondContact O-N 3.13Å; Y629-I631 PolarHBondContact O-N 2.79Å; Y629-T632 WeakPolarHBondContact O-CB 3.15Å; Y629-T632 PolarHBondContact O-N 2.72Å; Y629-T632 VanDerWaalsContact O-N 3.16Å; Y629-C633 PolarHBondContact O-N 3.35Å; Y629-C633 PolarHBondContact O-SG 3.01Å; Y629-C633 VanDerWaalsContact O-SG 3.41Å; Y629-V688 HydrophobicContact CE1-CG2 4.33Å; Y629-I691 HydrophobicContact CD1-CD1 3.87Å; Y629-I691 HydrophobicContact CE1-CD1 3.52Å |
| 630 | V | 93.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 179.1 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | F626 I627 T632 C633 A634 V688 I691 I692 I702 F705 | F626-V630 VanDerWaalsContact O-CG2 3.32Å; F626-V630 WeakPolarHBondContact O-CG2 3.06Å; F626-V630 PolarHBondContact O-N 3.01Å; I627-V630 PolarHBondContact O-N 3.09Å; V630-T632 VanDerWaalsContact C-N 3.31Å; V630-T632 PolarHBondContact O-N 2.76Å; V630-C633 PolarHBondContact O-N 3.07Å; V630-A634 VanDerWaalsContact O-CB 3.26Å; V630-A634 WeakPolarHBondContact O-CB 3.39Å; V630-A634 PolarHBondContact O-N 3.24Å; V630-V688 HydrophobicContact CG2-CG1 4.41Å; V630-I691 HydrophobicContact CG2-CG2 4.19Å; V630-I692 HydrophobicContact CG2-CG1 4.2Å; V630-I702 HydrophobicContact CG2-CD1 4.21Å; V630-I702 HydrophobicContact CG2-CG1 4.3Å; V630-F705 HydrophobicContact CG1-CB 4.16Å |
| 631 | I | 93.4 | Very high | 86.6 | Confident | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 175 | -67.3 | 169.1 | 0 | 0 | 0 | 110.7 | V24 L28 N31 I627 Y629 A634 L635 F705 | V24-I631 HydrophobicContact CG1-CD1 3.74Å; L28-I631 HydrophobicContact CB-CG2 4.39Å; L28-I631 HydrophobicContact CD1-CG2 4.02Å; N31-I631 HydrophobicContact CB-CG2 4.43Å; I627-I631 HydrophobicContact CG2-CD1 3.83Å; I627-I631 HydrophobicContact CG2-CG1 4.48Å; I627-I631 WeakPolarHBondContact O-CG1 3.44Å; I627-I631 PolarHBondContact O-N 2.89Å; Y629-I631 PolarHBondContact O-N 2.79Å; I631-A634 PolarHBondContact O-N 2.98Å; I631-L635 HydrophobicContact CG2-CD1 4.14Å; I631-L635 PolarHBondContact O-N 2.49Å; I631-F705 HydrophobicContact CD1-CD1 3.82Å; I631-F705 HydrophobicContact CD1-CD2 4.09Å; I631-F705 HydrophobicContact CD1-CE1 3.78Å; I631-F705 HydrophobicContact CD1-CE2 4.03Å; I631-F705 HydrophobicContact CD1-CG 3.97Å; I631-F705 HydrophobicContact CD1-CZ 3.88Å; I631-F705 HydrophobicContact CG1-CB 4.06Å; I631-F705 HydrophobicContact CG1-CD1 3.56Å; I631-F705 HydrophobicContact CG1-CD2 4.28Å; I631-F705 HydrophobicContact CG1-CE1 4.02Å; I631-F705 HydrophobicContact CG1-CG 3.7Å |
| 632 | T | 91.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 178.1 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | N31 A536 N628 Y629 V630 A634 L636 G637 | N31-T632 WeakPolarHBondContact ND2-CA 3.09Å; N31-T632 PolarHBondContact ND2-OG1 2.73Å; A536-T632 HydrophobicContact CB-CG2 3.96Å; N628-T632 WeakPolarHBondContact O-CB 3.18Å; N628-T632 PolarHBondContact O-N 3.03Å; N628-T632 PolarHBondContact O-OG1 2.75Å; Y629-T632 WeakPolarHBondContact O-CB 3.15Å; Y629-T632 PolarHBondContact O-N 2.72Å; Y629-T632 VanDerWaalsContact O-N 3.16Å; V630-T632 VanDerWaalsContact C-N 3.31Å; V630-T632 PolarHBondContact O-N 2.76Å; T632-A634 VanDerWaalsContact C-N 3.34Å; T632-A634 PolarHBondContact O-N 2.68Å; T632-L636 HydrophobicContact CG2-CB 4.11Å; T632-L636 HydrophobicContact CG2-CD2 4.16Å; T632-L636 WeakPolarHBondContact O-CA 3.47Å; T632-L636 VanDerWaalsContact O-CB 3.3Å; T632-L636 WeakPolarHBondContact O-CB 3.33Å; T632-L636 PolarHBondContact O-N 2.82Å; T632-G637 PolarHBondContact O-N 3.3Å |
| 633 | C | 93.1 | Very high | 88.7 | Confident | 18 Ų | 18 | 11.4 Ų | 11.4 | 12% | 0.122 | 7% | 0.068 | C | C | . | . | I | π-helix | trans | -63 | -38.8 | 174.8 | -68 | 0 | 0 | 0 | 0 | 112.6 | Y629 V630 G637 T638 V688 Y709 | Y629-C633 PolarHBondContact O-N 3.35Å; Y629-C633 PolarHBondContact O-SG 3.01Å; Y629-C633 VanDerWaalsContact O-SG 3.41Å; V630-C633 PolarHBondContact O-N 3.07Å; C633-G637 WeakPolarHBondContact O-CA 3.32Å; C633-G637 PolarHBondContact O-N 2.82Å; C633-T638 PolarHBondContact O-N 3.17Å; C633-V688 HydrophobicContact CB-CG2 4.46Å; C633-Y709 HydrophobicContact CB-CD2 4.01Å; C633-Y709 HydrophobicContact CB-CE2 3.93Å |
| 634 | A | 94.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | I | π-helix | trans | -65.3 | -42.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V630 I631 T632 T638 Y709 | V630-A634 VanDerWaalsContact O-CB 3.26Å; V630-A634 WeakPolarHBondContact O-CB 3.39Å; V630-A634 PolarHBondContact O-N 3.24Å; I631-A634 PolarHBondContact O-N 2.98Å; T632-A634 VanDerWaalsContact C-N 3.34Å; T632-A634 PolarHBondContact O-N 2.68Å; A634-T638 WeakPolarHBondContact O-CB 3.41Å; A634-T638 WeakPolarHBondContact O-CG2 3.37Å; A634-T638 PolarHBondContact O-OG1 3.21Å; A634-Y709 HydrophobicContact CB-CD2 4.2Å |
| 635 | L | 93.8 | Very high | 89.2 | Confident | 7 Ų | 7 | 16.1 Ų | 16.1 | 4% | 0.037 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -107.7 | -59.2 | -171.3 | -66.9 | 172.2 | 0 | 0 | 0 | 111.4 | L28 N31 S32 F35 I631 T638 G639 F712 | L28-L635 HydrophobicContact CD1-CD1 3.92Å; N31-L635 HydrophobicContact CB-CB 3.75Å; N31-L635 HydrophobicContact CB-CD1 3.86Å; N31-L635 HydrophobicContact CB-CG 4.47Å; S32-L635 WeakPolarHBondContact OG-CD1 3.4Å; F35-L635 HydrophobicContact CB-CB 4.36Å; F35-L635 HydrophobicContact CB-CD2 4.45Å; F35-L635 VanDerWaalsContact CD2-O 3.29Å; F35-L635 WeakPolarHBondContact CD2-O 3.48Å; F35-L635 HydrophobicContact CG-CD2 4.38Å; I631-L635 HydrophobicContact CG2-CD1 4.14Å; I631-L635 PolarHBondContact O-N 2.49Å; L635-T638 PolarHBondContact O-OG1 3.3Å; L635-G639 PolarHBondContact O-N 3.45Å; L635-F712 HydrophobicContact CD2-CD2 4.2Å; L635-F712 HydrophobicContact CD2-CE2 3.8Å; L635-F712 HydrophobicContact CD2-CZ 4.01Å |
| 636 | L | 91.1 | Very high | 89.4 | Confident | 30 Ų | 30 | 17.7 Ų | 17.7 | 16% | 0.157 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -67.2 | -44.4 | 179.3 | 177.9 | 148.3 | 0 | 0 | 0 | 111.3 | I34 W529 T632 G639 L640 | I34-L636 HydrophobicContact CD1-CD1 4.14Å; I34-L636 HydrophobicContact CG2-CD1 4.41Å; W529-L636 HydrophobicContact CH2-CD1 4.5Å; W529-L636 HydrophobicContact CZ2-CD1 3.68Å; T632-L636 HydrophobicContact CG2-CB 4.11Å; T632-L636 HydrophobicContact CG2-CD2 4.16Å; T632-L636 WeakPolarHBondContact O-CA 3.47Å; T632-L636 VanDerWaalsContact O-CB 3.3Å; T632-L636 WeakPolarHBondContact O-CB 3.33Å; T632-L636 PolarHBondContact O-N 2.82Å; L636-G639 PolarHBondContact O-N 3.1Å; L636-L640 HydrophobicContact CD2-CD1 3.62Å; L636-L640 HydrophobicContact CD2-CG 4.43Å; L636-L640 HydrophobicContact CG-CD1 4.12Å; L636-L640 HydrophobicContact CG-CG 4.5Å; L636-L640 WeakPolarHBondContact O-CB 3.34Å; L636-L640 VanDerWaalsContact O-CG 3.32Å; L636-L640 WeakPolarHBondContact O-CG 3.47Å; L636-L640 PolarHBondContact O-N 2.96Å |
| 637 | G | 90.6 | Very high | 89.1 | Confident | 31 Ų | 31 | 18.5 Ų | 18.5 | 32% | 0.32 | 12% | 0.117 | S | C | . | . | I | π-helix | trans | -60.8 | -51.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T632 C633 L640 Q641 | T632-G637 PolarHBondContact O-N 3.3Å; C633-G637 WeakPolarHBondContact O-CA 3.32Å; C633-G637 PolarHBondContact O-N 2.82Å; G637-L640 PolarHBondContact O-N 2.83Å; G637-Q641 WeakPolarHBondContact O-CB 3.47Å; G637-Q641 PolarHBondContact O-N 3.14Å |
| 638 | T | 91.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.9 | -37.4 | 178.1 | 65.2 | 0 | 0 | 0 | 0 | 112.1 | C633 A634 L635 Q641 I642 F712 K713 | C633-T638 PolarHBondContact O-N 3.17Å; A634-T638 WeakPolarHBondContact O-CB 3.41Å; A634-T638 WeakPolarHBondContact O-CG2 3.37Å; A634-T638 PolarHBondContact O-OG1 3.21Å; L635-T638 PolarHBondContact O-OG1 3.3Å; T638-Q641 WeakPolarHBondContact O-CB 3.01Å; T638-Q641 PolarHBondContact O-N 2.85Å; T638-I642 WeakPolarHBondContact O-CG1 2.86Å; T638-I642 PolarHBondContact O-N 2.91Å; T638-I642 VanDerWaalsContact O-N 3.14Å; T638-F712 HydrophobicContact CG2-CB 4.02Å; T638-K713 HydrophobicContact CG2-CD 4.49Å |
| 639 | G | 90.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L635 L636 Q641 I642 | L635-G639 PolarHBondContact O-N 3.45Å; L636-G639 PolarHBondContact O-N 3.1Å; G639-Q641 VanDerWaalsContact C-N 3.33Å; G639-Q641 PolarHBondContact O-N 3.27Å; G639-I642 WeakPolarHBondContact O-CB 3.23Å; G639-I642 PolarHBondContact O-N 2.94Å |
| 640 | L | 90.2 | Very high | 88.1 | Confident | 73 Ų | 73 | 32.1 Ų | 32.1 | 38% | 0.382 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -68.2 | -32.1 | 175.4 | -69.5 | 177.4 | 0 | 0 | 0 | 112.6 | L636 G637 I642 L643 R644 L645 | L636-L640 HydrophobicContact CD2-CD1 3.62Å; L636-L640 HydrophobicContact CD2-CG 4.43Å; L636-L640 HydrophobicContact CG-CD1 4.12Å; L636-L640 HydrophobicContact CG-CG 4.5Å; L636-L640 WeakPolarHBondContact O-CB 3.34Å; L636-L640 VanDerWaalsContact O-CG 3.32Å; L636-L640 WeakPolarHBondContact O-CG 3.47Å; L636-L640 PolarHBondContact O-N 2.96Å; G637-L640 PolarHBondContact O-N 2.83Å; L640-I642 VanDerWaalsContact C-N 3.29Å; L640-I642 PolarHBondContact O-N 2.96Å; L640-L643 HydrophobicContact CD2-CD1 4.31Å; L640-L643 PolarHBondContact O-N 2.84Å; L640-R644 PolarHBondContact O-N 3.07Å; L640-L645 HydrophobicContact CD2-CD1 4.01Å |
| 641 | Q | 89.5 | Confident | 87.5 | Confident | 38 Ų | 38 | 33.4 Ų | 33.4 | 18% | 0.178 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.2 | -37.9 | 175.1 | -168.4 | -179.8 | -8.4 | 0 | 0 | 111.5 | G637 T638 G639 L643 R644 D717 | G637-Q641 WeakPolarHBondContact O-CB 3.47Å; G637-Q641 PolarHBondContact O-N 3.14Å; T638-Q641 WeakPolarHBondContact O-CB 3.01Å; T638-Q641 PolarHBondContact O-N 2.85Å; G639-Q641 VanDerWaalsContact C-N 3.33Å; G639-Q641 PolarHBondContact O-N 3.27Å; Q641-L643 VanDerWaalsContact C-N 3.3Å; Q641-L643 PolarHBondContact O-N 3.2Å; Q641-R644 PolarHBondContact O-N 3.37Å; Q641-D717 PolarHBondContact NE2-OD1 2.79Å; Q641-D717 PolarHBondContact OE1-OD1 2.97Å |
| 642 | I | 85.5 | Confident | 87 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 175.3 | -64.4 | 166.1 | 0 | 0 | 0 | 111.7 | F35 I39 Y42 F53 T638 G639 L640 R644 I716 M720 | F35-I642 HydrophobicContact CE2-CD1 4.11Å; F35-I642 HydrophobicContact CZ-CD1 4.46Å; I39-I642 HydrophobicContact CG1-CD1 4.45Å; Y42-I642 HydrophobicContact CD1-CG2 4.16Å; Y42-I642 HydrophobicContact CD2-CG2 3.28Å; Y42-I642 WeakPolarHBondContact CD2-O 3.45Å; Y42-I642 HydrophobicContact CE2-CG2 3.91Å; Y42-I642 HydrophobicContact CG-CG2 3.42Å; Y42-I642 VanDerWaalsContact CG-CG2 3.42Å; F53-I642 WeakPolarHBondContact CE1-O 3.4Å; F53-I642 WeakPolarHBondContact CZ-O 3.27Å; T638-I642 WeakPolarHBondContact O-CG1 2.86Å; T638-I642 PolarHBondContact O-N 2.91Å; T638-I642 VanDerWaalsContact O-N 3.14Å; G639-I642 WeakPolarHBondContact O-CB 3.23Å; G639-I642 PolarHBondContact O-N 2.94Å; L640-I642 VanDerWaalsContact C-N 3.29Å; L640-I642 PolarHBondContact O-N 2.96Å; I642-R644 PolarHBondContact O-N 2.93Å; I642-I716 HydrophobicContact CD1-CD1 3.34Å; I642-I716 HydrophobicContact CD1-CG1 3.89Å; I642-I716 HydrophobicContact CG1-CB 4.45Å; I642-I716 HydrophobicContact CG1-CD1 3.64Å; I642-I716 HydrophobicContact CG1-CG1 3.92Å; I642-I716 HydrophobicContact CG1-CG2 3.68Å; I642-M720 HydrophobicContact CB-CE 4.39Å; I642-M720 HydrophobicContact CG2-CE 4.48Å |
| 643 | L | 84.1 | Confident | 86.6 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.7 | -16.2 | -176.8 | -69.2 | 176.5 | 0 | 0 | 0 | 114.1 | C38 L41 L45 F53 L640 Q641 L645 I648 | C38-L643 HydrophobicContact CB-CD1 4.05Å; C38-L643 HydrophobicContact CB-CG 4.27Å; C38-L643 WeakPolarHBondContact O-CD2 3.05Å; L41-L643 HydrophobicContact CB-CD2 3.74Å; L41-L643 HydrophobicContact CD1-CD1 4.5Å; L45-L643 HydrophobicContact CD1-CD2 4.15Å; F53-L643 WeakPolarHBondContact CZ-O 3.37Å; L640-L643 HydrophobicContact CD2-CD1 4.31Å; L640-L643 PolarHBondContact O-N 2.84Å; Q641-L643 VanDerWaalsContact C-N 3.3Å; Q641-L643 PolarHBondContact O-N 3.2Å; L643-L645 HydrophobicContact CB-CD1 4.48Å; L643-L645 HydrophobicContact CB-CD2 3.93Å; L643-L645 HydrophobicContact CB-CG 3.77Å; L643-L645 HydrophobicContact CD1-CD1 4.36Å; L643-L645 HydrophobicContact CD1-CD2 4.43Å; L643-L645 HydrophobicContact CD1-CG 4.43Å; L643-L645 PolarHBondContact O-N 2.88Å; L643-I648 VanDerWaalsContact O-CD1 3.28Å; L643-I648 WeakPolarHBondContact O-CD1 3.19Å |
| 644 | R | 83.8 | Confident | 86 | Confident | 12 Ų | 12 | 41.2 Ų | 41.2 | 5% | 0.045 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 35.6 | -179.1 | -59.6 | 177.3 | 68.6 | -152.2 | -5.3 | 113.4 | F53 L640 Q641 I642 G646 H647 I648 M720 | F53-R644 HydrophobicContact CE1-CG 4.31Å; F53-R644 HydrophobicContact CZ-CB 4.35Å; F53-R644 HydrophobicContact CZ-CG 4.48Å; F53-R644 PolarHBondContact O-NH1 3.39Å; L640-R644 PolarHBondContact O-N 3.07Å; Q641-R644 PolarHBondContact O-N 3.37Å; I642-R644 PolarHBondContact O-N 2.93Å; R644-G646 PolarHBondContact O-N 2.84Å; R644-H647 HydrophobicContact CB-CB 4.32Å; R644-H647 PolarHBondContact NH2-CD2 2.92Å; R644-H647 PolarHBondContact NH2-ND1 3.25Å; R644-H647 WeakPolarHBondContact O-CB 3.31Å; R644-H647 PolarHBondContact O-N 2.99Å; R644-I648 PolarHBondContact O-N 3.29Å; R644-M720 HydrophobicContact CG-SD 4.44Å |
| 645 | L | 83.4 | Confident | 85.2 | Confident | 87 Ų | 87 | 44.9 Ų | 44.9 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -54.5 | -34.6 | -172.1 | -65.2 | 177.2 | 0 | 0 | 0 | 113 | L640 L643 H647 I648 F649 | L640-L645 HydrophobicContact CD2-CD1 4.01Å; L643-L645 HydrophobicContact CB-CD1 4.48Å; L643-L645 HydrophobicContact CB-CD2 3.93Å; L643-L645 HydrophobicContact CB-CG 3.77Å; L643-L645 HydrophobicContact CD1-CD1 4.36Å; L643-L645 HydrophobicContact CD1-CD2 4.43Å; L643-L645 HydrophobicContact CD1-CG 4.43Å; L643-L645 PolarHBondContact O-N 2.88Å; L645-H647 PolarHBondContact O-N 2.67Å; L645-I648 PolarHBondContact O-N 3.48Å; L645-F649 WeakPolarHBondContact O-CB 3.3Å; L645-F649 PolarHBondContact O-N 3.32Å |
| 646 | G | 82.9 | Confident | 84.5 | Confident | 56 Ų | 56 | 51.6 Ų | 51.6 | 58% | 0.577 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.4 | -38.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R644 R650 | R644-G646 PolarHBondContact O-N 2.84Å; G646-R650 WeakPolarHBondContact O-CB 3.04Å; G646-R650 PolarHBondContact O-N 3.43Å |
| 647 | H | 81 | Confident | 84 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.5 | -47.9 | 176.4 | -180 | 86.2 | 0 | 0 | 0 | 110.6 | R644 L645 F649 R650 N651 E674 | R644-H647 HydrophobicContact CB-CB 4.32Å; R644-H647 PolarHBondContact NH2-CD2 2.92Å; R644-H647 PolarHBondContact NH2-ND1 3.25Å; R644-H647 WeakPolarHBondContact O-CB 3.31Å; R644-H647 PolarHBondContact O-N 2.99Å; L645-H647 PolarHBondContact O-N 2.67Å; H647-F649 VanDerWaalsContact C-N 3.32Å; H647-F649 PolarHBondContact O-N 2.97Å; H647-R650 PolarHBondContact ND1-NH2 2.86Å; H647-R650 VanDerWaalsContact ND1-NH2 3.15Å; H647-R650 PolarHBondContact O-N 3.48Å; H647-N651 PolarHBondContact CD2-ND2 3.28Å; H647-N651 VanDerWaalsContact CD2-ND2 3.32Å; H647-N651 PolarHBondContact NE2-ND2 3.39Å; H647-N651 VanDerWaalsContact O-CG 3.27Å; H647-N651 PolarHBondContact O-N 3.33Å; H647-N651 PolarHBondContact O-OD1 2.94Å; H647-E674 IonicContact ND1-OE2 3.55Å; H647-E674 PolarHBondContact ND1-OE2 2.76Å |
| 648 | I | 80.9 | Confident | 83.2 | Confident | 24 Ų | 24 | 59.8 Ų | 59.8 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59 | -47.3 | 177.6 | -62 | 171.7 | 0 | 0 | 0 | 110 | L45 F53 L643 R644 L645 R650 N651 L652 | L45-I648 HydrophobicContact CD1-CD1 4.29Å; F53-I648 HydrophobicContact CD2-CD1 4.2Å; F53-I648 HydrophobicContact CE2-CD1 3.64Å; F53-I648 HydrophobicContact CZ-CD1 4.47Å; L643-I648 VanDerWaalsContact O-CD1 3.28Å; L643-I648 WeakPolarHBondContact O-CD1 3.19Å; R644-I648 PolarHBondContact O-N 3.29Å; L645-I648 PolarHBondContact O-N 3.48Å; I648-R650 PolarHBondContact O-N 3.45Å; I648-N651 PolarHBondContact O-N 3.15Å; I648-L652 HydrophobicContact CG2-CD1 3.68Å; I648-L652 HydrophobicContact CG2-CG 4.06Å; I648-L652 WeakPolarHBondContact O-CB 3.19Å; I648-L652 VanDerWaalsContact O-CG 3.23Å; I648-L652 WeakPolarHBondContact O-CG 3.42Å; I648-L652 PolarHBondContact O-N 3.17Å |
| 649 | F | 83.8 | Confident | 82.6 | Confident | 145 Ų | 145 | 60 Ų | 60 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.8 | -46.3 | 178.7 | -178 | -101.7 | 0 | 0 | 0 | 111.7 | L645 H647 N651 L652 V653 | L645-F649 WeakPolarHBondContact O-CB 3.3Å; L645-F649 PolarHBondContact O-N 3.32Å; H647-F649 VanDerWaalsContact C-N 3.32Å; H647-F649 PolarHBondContact O-N 2.97Å; F649-N651 VanDerWaalsContact C-N 3.35Å; F649-N651 PolarHBondContact O-N 2.99Å; F649-L652 PolarHBondContact O-N 2.99Å; F649-V653 HydrophobicContact CD1-CG2 4.23Å; F649-V653 HydrophobicContact CE1-CG2 3.84Å; F649-V653 HydrophobicContact CE2-CG2 4.15Å; F649-V653 HydrophobicContact CZ-CG2 3.79Å; F649-V653 WeakPolarHBondContact O-CB 3.5Å; F649-V653 VanDerWaalsContact O-CG2 3.26Å; F649-V653 WeakPolarHBondContact O-CG2 3.05Å; F649-V653 PolarHBondContact O-N 2.98Å |
| 650 | R | 82.7 | Confident | 82.1 | Confident | 117 Ų | 117 | 61.9 Ų | 61.9 | 44% | 0.442 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.5 | -174 | 178.5 | 64.7 | -148.4 | -3.5 | 112 | G646 H647 I648 V653 R654 E674 | G646-R650 WeakPolarHBondContact O-CB 3.04Å; G646-R650 PolarHBondContact O-N 3.43Å; H647-R650 PolarHBondContact ND1-NH2 2.86Å; H647-R650 VanDerWaalsContact ND1-NH2 3.15Å; H647-R650 PolarHBondContact O-N 3.48Å; I648-R650 PolarHBondContact O-N 3.45Å; R650-V653 PolarHBondContact O-N 3.39Å; R650-R654 WeakPolarHBondContact O-CB 3.29Å; R650-R654 PolarHBondContact O-N 3.49Å; R650-E674 IonicContact CZ-OE1 3.48Å; R650-E674 IonicContact CZ-OE2 3.6Å; R650-E674 IonicContact NH1-OE1 3.64Å; R650-E674 PolarHBondContact NH1-OE1 3.11Å; R650-E674 IonicContact NH1-OE2 3.23Å; R650-E674 IonicContact NH2-OE1 2.81Å; R650-E674 PolarHBondContact NH2-OE1 3.47Å; R650-E674 IonicContact NH2-OE2 3.51Å; R650-E674 PolarHBondContact NH2-OE2 2.92Å |
| 651 | N | 80.1 | Confident | 81.7 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 179.4 | -64.7 | -0.2 | 0 | 0 | 0 | 111.7 | H647 I648 F649 R654 R655 | H647-N651 PolarHBondContact CD2-ND2 3.28Å; H647-N651 VanDerWaalsContact CD2-ND2 3.32Å; H647-N651 PolarHBondContact NE2-ND2 3.39Å; H647-N651 VanDerWaalsContact O-CG 3.27Å; H647-N651 PolarHBondContact O-N 3.33Å; H647-N651 PolarHBondContact O-OD1 2.94Å; I648-N651 PolarHBondContact O-N 3.15Å; F649-N651 VanDerWaalsContact C-N 3.35Å; F649-N651 PolarHBondContact O-N 2.99Å; N651-R654 PolarHBondContact O-N 3.26Å; N651-R655 VanDerWaalsContact O-CB 3.23Å; N651-R655 WeakPolarHBondContact O-CB 3.05Å; N651-R655 PolarHBondContact O-N 2.05Å |
| 652 | L | 82.5 | Confident | 81.1 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 36% | 0.356 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 174.7 | -69.3 | 173.9 | 0 | 0 | 0 | 111.1 | I648 F649 R654 R655 Y656 | I648-L652 HydrophobicContact CG2-CD1 3.68Å; I648-L652 HydrophobicContact CG2-CG 4.06Å; I648-L652 WeakPolarHBondContact O-CB 3.19Å; I648-L652 VanDerWaalsContact O-CG 3.23Å; I648-L652 WeakPolarHBondContact O-CG 3.42Å; I648-L652 PolarHBondContact O-N 3.17Å; F649-L652 PolarHBondContact O-N 2.99Å; L652-R654 VanDerWaalsContact C-N 3.35Å; L652-R654 PolarHBondContact O-N 3.08Å; L652-R655 PolarHBondContact O-N 3.28Å; L652-Y656 HydrophobicContact CB-CD2 4.36Å; L652-Y656 HydrophobicContact CD2-CD2 4.37Å; L652-Y656 HydrophobicContact CD2-CE2 3.82Å; L652-Y656 WeakPolarHBondContact O-CB 3.36Å; L652-Y656 VanDerWaalsContact O-CD2 3.24Å; L652-Y656 WeakPolarHBondContact O-CD2 3.49Å; L652-Y656 PolarHBondContact O-N 2.89Å |
| 653 | V | 83.9 | Confident | 80.6 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 173.2 | 164.4 | 0 | 0 | 0 | 0 | 110.1 | F649 R650 R655 Y656 I657 Y658 | F649-V653 HydrophobicContact CD1-CG2 4.23Å; F649-V653 HydrophobicContact CE1-CG2 3.84Å; F649-V653 HydrophobicContact CE2-CG2 4.15Å; F649-V653 HydrophobicContact CZ-CG2 3.79Å; F649-V653 WeakPolarHBondContact O-CB 3.5Å; F649-V653 VanDerWaalsContact O-CG2 3.26Å; F649-V653 WeakPolarHBondContact O-CG2 3.05Å; F649-V653 PolarHBondContact O-N 2.98Å; R650-V653 PolarHBondContact O-N 3.39Å; V653-R655 VanDerWaalsContact C-N 3.3Å; V653-R655 PolarHBondContact O-N 2.87Å; V653-Y656 PolarHBondContact O-N 2.92Å; V653-I657 HydrophobicContact CB-CD1 4.45Å; V653-I657 HydrophobicContact CG1-CD1 4Å; V653-I657 HydrophobicContact CG2-CD1 4.33Å; V653-I657 WeakPolarHBondContact O-CA 3.32Å; V653-I657 VanDerWaalsContact O-CB 3.24Å; V653-I657 WeakPolarHBondContact O-CB 3.35Å; V653-I657 PolarHBondContact O-N 3.47Å; V653-Y658 HydrophobicContact CG1-CD2 4.32Å; V653-Y658 HydrophobicContact CG1-CE2 3.98Å |
| 654 | R | 79.5 | Confident | 80.4 | Confident | 77 Ų | 77 | 58.2 Ų | 58.2 | 29% | 0.291 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -59.6 | -40.8 | 177.1 | -163.7 | 175.7 | -176.3 | 166 | 1.9 | 112.9 | R650 N651 L652 Y658 A659 F668 | R650-R654 WeakPolarHBondContact O-CB 3.29Å; R650-R654 PolarHBondContact O-N 3.49Å; N651-R654 PolarHBondContact O-N 3.26Å; L652-R654 VanDerWaalsContact C-N 3.35Å; L652-R654 PolarHBondContact O-N 3.08Å; R654-Y658 CarbonylContact O-C 3.59Å; R654-Y658 WeakPolarHBondContact O-CA 3.37Å; R654-Y658 WeakPolarHBondContact O-CB 3.32Å; R654-Y658 PolarHBondContact O-N 3.22Å; R654-A659 PolarHBondContact O-N 3.33Å; R654-F668 HydrophobicContact CG-CD1 4.07Å; R654-F668 HydrophobicContact CG-CD2 3.94Å; R654-F668 HydrophobicContact CG-CE1 4.12Å; R654-F668 HydrophobicContact CG-CE2 3.96Å; R654-F668 HydrophobicContact CG-CG 4Å; R654-F668 HydrophobicContact CG-CZ 4.06Å |
| 655 | R | 78.4 | Confident | 80.1 | Confident | 78 Ų | 78 | 62.2 Ų | 62.2 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -72.9 | -38.4 | -178.6 | -172.8 | 176.4 | 179.4 | 170.5 | 0.1 | 114 | E52 N651 L652 V653 A659 R665 | E52-R655 IonicContact OE1-NH1 2.73Å; E52-R655 PolarHBondContact OE1-NH1 3.26Å; N651-R655 VanDerWaalsContact O-CB 3.23Å; N651-R655 WeakPolarHBondContact O-CB 3.05Å; N651-R655 PolarHBondContact O-N 2.05Å; L652-R655 PolarHBondContact O-N 3.28Å; V653-R655 VanDerWaalsContact C-N 3.3Å; V653-R655 PolarHBondContact O-N 2.87Å; R655-A659 VanDerWaalsContact O-CB 3.23Å; R655-A659 WeakPolarHBondContact O-CB 3.43Å; R655-R665 HydrophobicContact CG-CB 4.19Å; R655-R665 HydrophobicContact CG-CG 3.96Å; R655-R665 WeakPolarHBondContact O-CG 3.43Å |
| 656 | Y | 78.9 | Confident | 79.8 | Confident | 148 Ų | 148 | 63.5 Ų | 63.5 | 58% | 0.58 | 30% | 0.297 | S | S | * | . | I | π-helix | trans | -98 | -25.3 | -174.6 | -71.5 | -67.4 | 0 | 0 | 0 | 113.8 | L652 V653 | L652-Y656 HydrophobicContact CB-CD2 4.36Å; L652-Y656 HydrophobicContact CD2-CD2 4.37Å; L652-Y656 HydrophobicContact CD2-CE2 3.82Å; L652-Y656 WeakPolarHBondContact O-CB 3.36Å; L652-Y656 VanDerWaalsContact O-CD2 3.24Å; L652-Y656 WeakPolarHBondContact O-CD2 3.49Å; L652-Y656 PolarHBondContact O-N 2.89Å; V653-Y656 PolarHBondContact O-N 2.92Å |
| 657 | I | 79.7 | Confident | 79.5 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 41% | 0.405 | 27% | 0.274 | S | S | . | . | I | π-helix | trans | -106.5 | -40.2 | -176.1 | -61.9 | 167.7 | 0 | 0 | 0 | 111.7 | V653 | V653-I657 HydrophobicContact CB-CD1 4.45Å; V653-I657 HydrophobicContact CG1-CD1 4Å; V653-I657 HydrophobicContact CG2-CD1 4.33Å; V653-I657 WeakPolarHBondContact O-CA 3.32Å; V653-I657 VanDerWaalsContact O-CB 3.24Å; V653-I657 WeakPolarHBondContact O-CB 3.35Å; V653-I657 PolarHBondContact O-N 3.47Å |
| 658 | Y | 75.7 | Confident | 79.3 | Confident | 155 Ų | 155 | 61.9 Ų | 61.9 | 61% | 0.608 | 27% | 0.274 | S | S | * | . | I | π-helix | trans | -98.9 | -15.7 | -175 | -65.5 | -61 | 0 | 0 | 0 | 114.6 | V653 R654 H660 | V653-Y658 HydrophobicContact CG1-CD2 4.32Å; V653-Y658 HydrophobicContact CG1-CE2 3.98Å; R654-Y658 CarbonylContact O-C 3.59Å; R654-Y658 WeakPolarHBondContact O-CA 3.37Å; R654-Y658 WeakPolarHBondContact O-CB 3.32Å; R654-Y658 PolarHBondContact O-N 3.22Å; Y658-H660 PolarHBondContact O-CD2 3.14Å |
| 659 | A | 77.8 | Confident | 78.8 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 3% | 0.033 | 28% | 0.279 | C | S | . | . | trans | -83.8 | 123.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F329 R654 R655 E664 R665 F668 | F329-A659 WeakPolarHBondContact CE2-O 3.41Å; R654-A659 PolarHBondContact O-N 3.33Å; R655-A659 VanDerWaalsContact O-CB 3.23Å; R655-A659 WeakPolarHBondContact O-CB 3.43Å; A659-E664 WeakPolarHBondContact CA-OE2 3.45Å; A659-E664 HydrophobicContact CB-CB 4.21Å; A659-R665 HydrophobicContact CB-CG 3.45Å; A659-R665 VanDerWaalsContact CB-CG 3.45Å; A659-F668 HydrophobicContact CB-CD2 3.72Å; A659-F668 HydrophobicContact CB-CE2 3.65Å | ||
| 660 | H | 81 | Confident | 78.1 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | trans | -92.1 | -24.6 | -178.6 | -64.8 | -71.1 | 0 | 0 | 0 | 113.3 | Y326 H327 Y658 E664 | Y326-H660 HydrophobicContact CD2-CB 3.92Å; Y326-H660 HydrophobicContact CE1-CB 4.21Å; Y326-H660 HydrophobicContact CE2-CB 3.45Å; Y326-H660 VanDerWaalsContact CE2-CB 3.45Å; Y326-H660 AromaticContact CE2-CG 3.96Å; Y326-H660 HydrophobicContact CG-CB 4.46Å; Y326-H660 AromaticContact CZ-CG 3.65Å; H327-H660 PolarHBondContact N-O 3.38Å; H327-H660 PolarHBondContact O-ND1 3.22Å; Y658-H660 PolarHBondContact O-CD2 3.14Å; H660-E664 IonicContact CD2-OE2 3.68Å; H660-E664 PolarHBondContact N-OE2 3.03Å | ||
| 661 | T | 80 | Confident | 77.2 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -126.5 | 164.3 | -175.5 | 62 | 0 | 0 | 0 | 0 | 112.7 | T325 Y326 A345 Y349 A663 E664 R665 | T325-T661 WeakPolarHBondContact O-CG2 3.03Å; Y326-T661 HydrophobicContact CD2-CG2 3.69Å; Y326-T661 HydrophobicContact CE2-CG2 4.47Å; Y326-T661 HydrophobicContact CG-CG2 4.39Å; A345-T661 HydrophobicContact CB-CG2 3.59Å; Y349-T661 HydrophobicContact CE2-CG2 3.79Å; Y349-T661 WeakPolarHBondContact OH-CG2 3.26Å; Y349-T661 PolarHBondContact OH-OG1 2.7Å; T661-A663 VanDerWaalsContact C-N 3.34Å; T661-E664 WeakPolarHBondContact OG1-CB 3.12Å; T661-E664 VanDerWaalsContact OG1-CG 3.32Å; T661-E664 WeakPolarHBondContact OG1-CG 3.44Å; T661-E664 PolarHBondContact OG1-N 3.12Å; T661-E664 VanDerWaalsContact OG1-N 3.07Å; T661-R665 WeakPolarHBondContact O-CG 3.18Å; T661-R665 PolarHBondContact O-N 2.97Å; T661-R665 PolarHBondContact O-NE 3.35Å |
| 662 | A | 76.9 | Confident | 76.7 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 31% | 0.314 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R665 K666 | A662-R665 WeakPolarHBondContact O-CB 3.43Å; A662-R665 PolarHBondContact O-N 3.2Å; A662-K666 PolarHBondContact O-N 3.42Å; A662-K666 VanDerWaalsContact O-N 3.13Å |
| 663 | A | 75.8 | Confident | 75.9 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63 | -46 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A312 Q316 T661 R665 K666 I667 | A312-A663 HydrophobicContact CB-CB 4.02Å; Q316-A663 VanDerWaalsContact OE1-N 3.14Å; T661-A663 VanDerWaalsContact C-N 3.34Å; A663-R665 VanDerWaalsContact C-N 3.29Å; A663-R665 PolarHBondContact O-N 2.98Å; A663-K666 WeakPolarHBondContact O-CA 3.09Å; A663-K666 WeakPolarHBondContact O-CB 3.03Å; A663-K666 PolarHBondContact O-N 3.24Å; A663-I667 PolarHBondContact O-N 2.97Å |
| 664 | E | 79.1 | Confident | 75.4 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.1 | -42.4 | 173.9 | -83.9 | 180 | -173.1 | 0 | 0 | 111.8 | Y309 Y349 A659 H660 T661 K666 I667 F668 | Y309-E664 HydrophobicContact CD1-CG 3.55Å; Y309-E664 HydrophobicContact CD2-CG 4.35Å; Y309-E664 HydrophobicContact CE1-CG 3.98Å; Y309-E664 HydrophobicContact CG-CG 3.78Å; Y349-E664 WeakPolarHBondContact CE1-OE1 3.24Å; Y349-E664 VanDerWaalsContact CZ-OE1 3.3Å; Y349-E664 VanDerWaalsContact OH-CG 3.32Å; Y349-E664 WeakPolarHBondContact OH-CG 3.37Å; Y349-E664 PolarHBondContact OH-OE1 2.88Å; A659-E664 WeakPolarHBondContact CA-OE2 3.45Å; A659-E664 HydrophobicContact CB-CB 4.21Å; H660-E664 IonicContact CD2-OE2 3.68Å; H660-E664 PolarHBondContact N-OE2 3.03Å; T661-E664 WeakPolarHBondContact OG1-CB 3.12Å; T661-E664 VanDerWaalsContact OG1-CG 3.32Å; T661-E664 WeakPolarHBondContact OG1-CG 3.44Å; T661-E664 PolarHBondContact OG1-N 3.12Å; T661-E664 VanDerWaalsContact OG1-N 3.07Å; E664-K666 PolarHBondContact O-N 2.89Å; E664-I667 PolarHBondContact O-N 3.34Å; E664-I667 VanDerWaalsContact O-N 3.17Å; E664-F668 HydrophobicContact CB-CD2 4.5Å; E664-F668 HydrophobicContact CB-CE2 4.09Å; E664-F668 VanDerWaalsContact O-CD2 3.31Å; E664-F668 WeakPolarHBondContact O-CD2 3.44Å; E664-F668 VanDerWaalsContact O-CG 3.3Å; E664-F668 WeakPolarHBondContact O-CG 3.35Å; E664-F668 PolarHBondContact O-N 3.23Å |
| 665 | R | 78.6 | Confident | 75.4 | Confident | 95 Ų | 95 | 56.8 Ų | 56.8 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.5 | -33 | 175.8 | -76.1 | -175.8 | -85.3 | 163.1 | -8.7 | 112.4 | R655 A659 T661 A662 A663 S669 | R655-R665 HydrophobicContact CG-CB 4.19Å; R655-R665 HydrophobicContact CG-CG 3.96Å; R655-R665 WeakPolarHBondContact O-CG 3.43Å; A659-R665 HydrophobicContact CB-CG 3.45Å; A659-R665 VanDerWaalsContact CB-CG 3.45Å; T661-R665 WeakPolarHBondContact O-CG 3.18Å; T661-R665 PolarHBondContact O-N 2.97Å; T661-R665 PolarHBondContact O-NE 3.35Å; A662-R665 WeakPolarHBondContact O-CB 3.43Å; A662-R665 PolarHBondContact O-N 3.2Å; A663-R665 VanDerWaalsContact C-N 3.29Å; A663-R665 PolarHBondContact O-N 2.98Å; R665-S669 PolarHBondContact O-N 3.06Å |
| 666 | K | 76.8 | Confident | 75.8 | Confident | 114 Ų | 114 | 53.1 Ų | 53.1 | 50% | 0.496 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.7 | -45.6 | 173.9 | -171.7 | -174.8 | 174.5 | -165.7 | 0 | 110.9 | E315 A662 A663 E664 F668 S669 E670 | E315-K666 IonicContact OE1-NZ 3.31Å; A662-K666 PolarHBondContact O-N 3.42Å; A662-K666 VanDerWaalsContact O-N 3.13Å; A663-K666 WeakPolarHBondContact O-CA 3.09Å; A663-K666 WeakPolarHBondContact O-CB 3.03Å; A663-K666 PolarHBondContact O-N 3.24Å; E664-K666 PolarHBondContact O-N 2.89Å; K666-F668 VanDerWaalsContact C-N 3.33Å; K666-F668 PolarHBondContact O-N 3.1Å; K666-S669 WeakPolarHBondContact O-CA 3.49Å; K666-S669 WeakPolarHBondContact O-CB 3.04Å; K666-S669 PolarHBondContact O-N 3.42Å; K666-S669 PolarHBondContact O-OG 3.2Å; K666-E670 PolarHBondContact O-N 2.98Å |
| 667 | I | 77 | Confident | 76.3 | Confident | 21 Ų | 21 | 47.6 Ų | 47.6 | 11% | 0.108 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 175.7 | -65.5 | 163.2 | 0 | 0 | 0 | 111.1 | I308 Y309 A312 A663 E664 S669 E670 | I308-I667 HydrophobicContact CG2-CD1 3.9Å; Y309-I667 HydrophobicContact CD1-CD1 3.72Å; Y309-I667 HydrophobicContact CE1-CD1 4.3Å; A312-I667 HydrophobicContact CB-CD1 3.49Å; A312-I667 VanDerWaalsContact CB-CD1 3.49Å; A312-I667 HydrophobicContact CB-CG1 4.1Å; A663-I667 PolarHBondContact O-N 2.97Å; E664-I667 PolarHBondContact O-N 3.34Å; E664-I667 VanDerWaalsContact O-N 3.17Å; I667-S669 PolarHBondContact O-N 2.99Å; I667-E670 VanDerWaalsContact O-CB 3.32Å; I667-E670 WeakPolarHBondContact O-CB 3.22Å; I667-E670 PolarHBondContact O-N 3.17Å |
| 668 | F | 75.8 | Confident | 76.8 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14.8 | 176.7 | -61 | -31.1 | 0 | 0 | 0 | 113.8 | Y309 R654 A659 E664 K666 E670 | Y309-F668 HydrophobicContact CE1-CE1 4.09Å; Y309-F668 HydrophobicContact CE1-CZ 4.2Å; R654-F668 HydrophobicContact CG-CD1 4.07Å; R654-F668 HydrophobicContact CG-CD2 3.94Å; R654-F668 HydrophobicContact CG-CE1 4.12Å; R654-F668 HydrophobicContact CG-CE2 3.96Å; R654-F668 HydrophobicContact CG-CG 4Å; R654-F668 HydrophobicContact CG-CZ 4.06Å; A659-F668 HydrophobicContact CB-CD2 3.72Å; A659-F668 HydrophobicContact CB-CE2 3.65Å; E664-F668 HydrophobicContact CB-CD2 4.5Å; E664-F668 HydrophobicContact CB-CE2 4.09Å; E664-F668 VanDerWaalsContact O-CD2 3.31Å; E664-F668 WeakPolarHBondContact O-CD2 3.44Å; E664-F668 VanDerWaalsContact O-CG 3.3Å; E664-F668 WeakPolarHBondContact O-CG 3.35Å; E664-F668 PolarHBondContact O-N 3.23Å; K666-F668 VanDerWaalsContact C-N 3.33Å; K666-F668 PolarHBondContact O-N 3.1Å; F668-E670 VanDerWaalsContact C-N 3.34Å |
| 669 | S | 70.2 | Confident | 77.5 | Confident | 31 Ų | 31 | 36.8 Ų | 36.8 | 22% | 0.217 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.6 | 169 | 75.1 | 0 | 0 | 0 | 0 | 113.1 | E52 R665 K666 I667 | E52-S669 WeakPolarHBondContact CG-O 2.85Å; E52-S669 WeakPolarHBondContact OE1-CA 3.19Å; E52-S669 VanDerWaalsContact OE1-CB 3.24Å; E52-S669 WeakPolarHBondContact OE1-CB 3.39Å; R665-S669 PolarHBondContact O-N 3.06Å; K666-S669 WeakPolarHBondContact O-CA 3.49Å; K666-S669 WeakPolarHBondContact O-CB 3.04Å; K666-S669 PolarHBondContact O-N 3.42Å; K666-S669 PolarHBondContact O-OG 3.2Å; I667-S669 PolarHBondContact O-N 2.99Å |
| 670 | E | 69.9 | Low | 78.1 | Confident | 111 Ų | 111 | 37.6 Ų | 37.6 | 52% | 0.519 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -75.7 | 136.1 | 174.8 | -65.7 | -171.8 | 173.5 | 0 | 0 | 110.7 | K666 I667 F668 Q672 | K666-E670 PolarHBondContact O-N 2.98Å; I667-E670 VanDerWaalsContact O-CB 3.32Å; I667-E670 WeakPolarHBondContact O-CB 3.22Å; I667-E670 PolarHBondContact O-N 3.17Å; F668-E670 VanDerWaalsContact C-N 3.34Å; E670-Q672 PolarHBondContact O-N 2.92Å; E670-Q672 VanDerWaalsContact O-N 3.13Å |
| 671 | P | 64 | Low | 78.7 | Confident | 40 Ų | 40 | 36.5 Ų | 36.5 | 26% | 0.26 | 19% | 0.191 | S | C | . | . | trans | -60.7 | 117.5 | 177.8 | 15.1 | -24.1 | 0 | 0 | 0 | 112.1 | R51 P55 | R51-P671 WeakPolarHBondContact O-CB 3.44Å; R51-P671 VanDerWaalsContact O-CG 3.3Å; R51-P671 WeakPolarHBondContact O-CG 3.18Å; P55-P671 VanDerWaalsContact CA-CB 3.43Å; P55-P671 HydrophobicContact CB-CB 3.48Å; P55-P671 VanDerWaalsContact CB-CB 3.48Å | ||
| 672 | Q | 68.3 | Low | 79.3 | Confident | 95 Ų | 95 | 36.6 Ų | 36.6 | 44% | 0.444 | 19% | 0.191 | S | C | . | . | trans | -103.3 | 114.7 | 165.4 | -64 | -167.8 | -2.8 | 0 | 0 | 109 | E670 E674 | E670-Q672 PolarHBondContact O-N 2.92Å; E670-Q672 VanDerWaalsContact O-N 3.13Å; Q672-E674 PolarHBondContact O-N 3.46Å | ||
| 673 | P | 66.2 | Low | 80.1 | Confident | 39 Ų | 39 | 34.8 Ų | 34.8 | 25% | 0.253 | 18% | 0.176 | S | C | . | . | trans | -64.2 | 137.4 | 173.5 | 27.2 | -31.8 | 0 | 0 | 0 | 109.2 | P55 D726 Q729 | P55-P673 HydrophobicContact CB-CB 4.09Å; P55-P673 HydrophobicContact CG-CB 4.05Å; P673-D726 HydrophobicContact CB-CB 4.04Å; P673-D726 VanDerWaalsContact CB-CG 3.45Å; P673-D726 WeakPolarHBondContact CB-OD2 3.43Å; P673-D726 WeakPolarHBondContact CG-OD2 3.49Å; P673-Q729 PolarHBondContact O-OE1 3.45Å; P673-Q729 VanDerWaalsContact O-OE1 3.09Å | ||
| 674 | E | 74.2 | Confident | 80.9 | Confident | 61 Ų | 61 | 35.9 Ų | 35.9 | 29% | 0.285 | 18% | 0.18 | S | C | . | . | trans | -105.5 | 154.4 | 176.6 | -169.7 | 164.9 | -168.3 | 0 | 0 | 108.6 | H647 R650 Q672 Y725 D726 | H647-E674 IonicContact ND1-OE2 3.55Å; H647-E674 PolarHBondContact ND1-OE2 2.76Å; R650-E674 IonicContact CZ-OE1 3.48Å; R650-E674 IonicContact CZ-OE2 3.6Å; R650-E674 IonicContact NH1-OE1 3.64Å; R650-E674 PolarHBondContact NH1-OE1 3.11Å; R650-E674 IonicContact NH1-OE2 3.23Å; R650-E674 IonicContact NH2-OE1 2.81Å; R650-E674 PolarHBondContact NH2-OE1 3.47Å; R650-E674 IonicContact NH2-OE2 3.51Å; R650-E674 PolarHBondContact NH2-OE2 2.92Å; Q672-E674 PolarHBondContact O-N 3.46Å; E674-Y725 HydrophobicContact CB-CD1 4.44Å; E674-Y725 HydrophobicContact CB-CE1 4.49Å; E674-Y725 WeakPolarHBondContact O-CA 2.83Å; E674-Y725 WeakPolarHBondContact O-CD1 3.34Å; E674-D726 PolarHBondContact O-N 3.41Å; E674-D726 VanDerWaalsContact O-N 3.11Å | ||
| 675 | A | 79.4 | Confident | 81.6 | Confident | 12 Ų | 12 | 35.5 Ų | 35.5 | 10% | 0.099 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -70.7 | 143.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | A677 Q729 | A675-A677 PolarHBondContact O-N 3.18Å; A675-Q729 HydrophobicContact CB-CB 3.64Å |
| 676 | F | 87.4 | Confident | 82.4 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | trans | -65.8 | 126 | 168.3 | -173.5 | -102.1 | 0 | 0 | 0 | 110.4 | Y97 F678 N681 L721 Y725 | Y97-F676 HydrophobicContact CD1-CE1 4.12Å; Y97-F676 HydrophobicContact CD1-CZ 4.24Å; Y97-F676 HydrophobicContact CD2-CE1 4.4Å; Y97-F676 HydrophobicContact CE1-CE1 4.14Å; Y97-F676 AromaticContact CE1-CZ 3.9Å; Y97-F676 HydrophobicContact CE1-CZ 3.9Å; Y97-F676 HydrophobicContact CE2-CE1 4.42Å; Y97-F676 HydrophobicContact CG-CE1 4.26Å; F676-F678 VanDerWaalsContact C-N 3.32Å; F676-F678 HydrophobicContact CB-CE2 4.25Å; F676-F678 HydrophobicContact CB-CZ 4.35Å; F676-F678 AromaticContact CD1-CD1 3.53Å; F676-F678 HydrophobicContact CD1-CD1 3.53Å; F676-F678 HydrophobicContact CD1-CD2 4.15Å; F676-F678 AromaticContact CD1-CE1 3.55Å; F676-F678 HydrophobicContact CD1-CE1 3.55Å; F676-F678 HydrophobicContact CD1-CE2 4.18Å; F676-F678 AromaticContact CD1-CG 3.83Å; F676-F678 HydrophobicContact CD1-CG 3.83Å; F676-F678 AromaticContact CD1-CZ 3.89Å; F676-F678 HydrophobicContact CD1-CZ 3.89Å; F676-F678 AromaticContact CE1-CD1 3.83Å; F676-F678 HydrophobicContact CE1-CD1 3.83Å; F676-F678 HydrophobicContact CE1-CE1 4.02Å; F676-F678 HydrophobicContact CE1-CG 4.41Å; F676-F678 VanDerWaalsContact O-CD2 3.32Å; F676-F678 WeakPolarHBondContact O-CD2 3.06Å; F676-F678 PolarHBondContact O-N 2.95Å; F676-N681 HydrophobicContact CE1-CB 3.82Å; F676-N681 WeakPolarHBondContact CE2-ND2 3.5Å; F676-N681 HydrophobicContact CZ-CB 3.72Å; F676-N681 VanDerWaalsContact CZ-CG 3.44Å; F676-N681 WeakPolarHBondContact CZ-ND2 2.84Å; F676-L721 HydrophobicContact CB-CD2 3.81Å; F676-L721 HydrophobicContact CD1-CD2 3.93Å; F676-L721 HydrophobicContact CD2-CD2 3.94Å; F676-L721 HydrophobicContact CD2-CG 4.32Å; F676-L721 HydrophobicContact CE1-CD2 4.44Å; F676-L721 HydrophobicContact CE2-CD2 4.46Å; F676-L721 HydrophobicContact CE2-CG 4.44Å; F676-L721 HydrophobicContact CG-CD2 3.64Å; F676-L721 HydrophobicContact CG-CG 4.45Å; F676-Y725 HydrophobicContact CB-CD1 4.29Å; F676-Y725 HydrophobicContact CB-CD2 4.43Å; F676-Y725 HydrophobicContact CB-CG 3.96Å; F676-Y725 AromaticContact CD2-CD2 3.64Å; F676-Y725 HydrophobicContact CD2-CD2 3.64Å; F676-Y725 AromaticContact CD2-CE2 3.86Å; F676-Y725 HydrophobicContact CD2-CE2 3.86Å; F676-Y725 HydrophobicContact CD2-CG 4.02Å; F676-Y725 HydrophobicContact CE2-CD2 4.47Å; F676-Y725 HydrophobicContact CE2-CE2 4.43Å | ||
| 677 | A | 89.1 | Confident | 83.2 | Confident | 31 Ų | 31 | 25.7 Ų | 25.7 | 26% | 0.256 | 14% | 0.139 | S | C | . | . | trans | -75.9 | 81.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A675 G679 E680 N681 | A675-A677 PolarHBondContact O-N 3.18Å; A677-G679 VanDerWaalsContact C-N 3.34Å; A677-G679 PolarHBondContact O-N 3.42Å; A677-E680 HydrophobicContact CB-CB 4.19Å; A677-N681 WeakPolarHBondContact O-CB 2.98Å; A677-N681 PolarHBondContact O-N 3.29Å; A677-N681 VanDerWaalsContact O-N 3.12Å; A677-N681 PolarHBondContact O-ND2 3.16Å | ||
| 678 | F | 89.8 | Confident | 84 | Confident | 6 Ų | 6 | 24.7 Ų | 24.7 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.4 | -43.9 | -178.4 | -73.2 | -76.1 | 0 | 0 | 0 | 112 | D93 Y97 F676 E680 N681 Y682 L721 W751 | D93-F678 HydrophobicContact CB-CE1 4.02Å; D93-F678 HydrophobicContact CB-CE2 3.94Å; D93-F678 HydrophobicContact CB-CZ 3.65Å; D93-F678 WeakPolarHBondContact O-CE1 2.89Å; Y97-F678 HydrophobicContact CD2-CD1 4.42Å; Y97-F678 HydrophobicContact CG-CD1 4.4Å; Y97-F678 HydrophobicContact CG-CE1 4.46Å; F676-F678 VanDerWaalsContact C-N 3.32Å; F676-F678 HydrophobicContact CB-CE2 4.25Å; F676-F678 HydrophobicContact CB-CZ 4.35Å; F676-F678 AromaticContact CD1-CD1 3.53Å; F676-F678 HydrophobicContact CD1-CD1 3.53Å; F676-F678 HydrophobicContact CD1-CD2 4.15Å; F676-F678 AromaticContact CD1-CE1 3.55Å; F676-F678 HydrophobicContact CD1-CE1 3.55Å; F676-F678 HydrophobicContact CD1-CE2 4.18Å; F676-F678 AromaticContact CD1-CG 3.83Å; F676-F678 HydrophobicContact CD1-CG 3.83Å; F676-F678 AromaticContact CD1-CZ 3.89Å; F676-F678 HydrophobicContact CD1-CZ 3.89Å; F676-F678 AromaticContact CE1-CD1 3.83Å; F676-F678 HydrophobicContact CE1-CD1 3.83Å; F676-F678 HydrophobicContact CE1-CE1 4.02Å; F676-F678 HydrophobicContact CE1-CG 4.41Å; F676-F678 VanDerWaalsContact O-CD2 3.32Å; F676-F678 WeakPolarHBondContact O-CD2 3.06Å; F676-F678 PolarHBondContact O-N 2.95Å; F678-E680 PolarHBondContact O-N 3.07Å; F678-N681 PolarHBondContact O-N 3.11Å; F678-Y682 HydrophobicContact CB-CD2 4.21Å; F678-Y682 HydrophobicContact CB-CE2 4.42Å; F678-Y682 HydrophobicContact CD1-CE2 4.2Å; F678-Y682 VanDerWaalsContact O-CB 3.32Å; F678-Y682 WeakPolarHBondContact O-CB 3.48Å; F678-Y682 VanDerWaalsContact O-CD2 3.23Å; F678-Y682 WeakPolarHBondContact O-CD2 3.17Å; F678-Y682 PolarHBondContact O-N 2.95Å; F678-L721 HydrophobicContact CZ-CD2 4.34Å; F678-W751 HydrophobicContact CB-CE3 3.86Å; F678-W751 HydrophobicContact CB-CH2 4.06Å; F678-W751 HydrophobicContact CB-CZ3 3.58Å; F678-W751 HydrophobicContact CD1-CE3 4.41Å; F678-W751 HydrophobicContact CD1-CZ3 4.12Å; F678-W751 HydrophobicContact CD2-CE3 4.49Å; F678-W751 AromaticContact CD2-CH2 3.91Å; F678-W751 HydrophobicContact CD2-CH2 3.91Å; F678-W751 AromaticContact CD2-CZ3 3.52Å; F678-W751 HydrophobicContact CD2-CZ3 3.52Å; F678-W751 HydrophobicContact CE2-CZ3 4.22Å; F678-W751 HydrophobicContact CG-CE3 4.02Å; F678-W751 HydrophobicContact CG-CH2 4.16Å; F678-W751 AromaticContact CG-CZ3 3.47Å; F678-W751 HydrophobicContact CG-CZ3 3.47Å; F678-W751 VanDerWaalsContact CG-CZ3 3.47Å |
| 679 | G | 89.5 | Confident | 85 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | E562 Y566 A677 A683 | E562-G679 WeakPolarHBondContact O-CA 3.37Å; E562-G679 WeakPolarHBondContact OE2-CA 3.22Å; E562-G679 PolarHBondContact OE2-N 3.22Å; Y566-G679 WeakPolarHBondContact CA-O 3.37Å; A677-G679 VanDerWaalsContact C-N 3.34Å; A677-G679 PolarHBondContact O-N 3.42Å; G679-A683 WeakPolarHBondContact O-CB 3.4Å; G679-A683 PolarHBondContact O-N 3.41Å; G679-A683 VanDerWaalsContact O-N 3.11Å |
| 680 | E | 91.4 | Very high | 86.2 | Confident | 20 Ų | 20 | 22.4 Ų | 22.4 | 9% | 0.093 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.4 | -49.2 | 176.3 | -178.4 | 177.4 | 178.4 | 0 | 0 | 111.6 | T543 R544 I547 A677 F678 Y682 A683 F684 | T543-E680 HydrophobicContact CG2-CG 4.16Å; R544-E680 VanDerWaalsContact CZ-CD 3.49Å; R544-E680 IonicContact CZ-OE1 2.68Å; R544-E680 IonicContact CZ-OE2 3.38Å; R544-E680 IonicContact NE-OE1 2.71Å; R544-E680 IonicContact NH1-OE1 3.03Å; R544-E680 IonicContact NH1-OE2 3.09Å; R544-E680 PolarHBondContact NH1-OE2 2.84Å; R544-E680 VanDerWaalsContact NH2-CD 3.26Å; R544-E680 IonicContact NH2-OE1 3.12Å; R544-E680 PolarHBondContact NH2-OE1 2.87Å; R544-E680 IonicContact NH2-OE2 3.01Å; R544-E680 PolarHBondContact NH2-OE2 3.24Å; I547-E680 HydrophobicContact CD1-CB 3.88Å; I547-E680 HydrophobicContact CD1-CG 3.8Å; A677-E680 HydrophobicContact CB-CB 4.19Å; F678-E680 PolarHBondContact O-N 3.07Å; E680-Y682 PolarHBondContact O-N 3.29Å; E680-A683 WeakPolarHBondContact O-CB 3.29Å; E680-A683 PolarHBondContact O-N 3.28Å; E680-A683 VanDerWaalsContact O-N 3.09Å; E680-F684 HydrophobicContact CG-CD2 3.91Å; E680-F684 HydrophobicContact CG-CE2 3.78Å; E680-F684 WeakPolarHBondContact O-CD2 3.41Å; E680-F684 PolarHBondContact O-N 3.31Å; E680-F684 VanDerWaalsContact O-N 3.08Å |
| 681 | N | 92.7 | Very high | 87.4 | Confident | 18 Ų | 18 | 17.1 Ų | 17.1 | 10% | 0.096 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.5 | -37.3 | -176.7 | -80.8 | -60 | 0 | 0 | 0 | 112.7 | Y97 F676 A677 F678 A683 L685 K713 | Y97-N681 HydrophobicContact CE2-CB 3.93Å; F676-N681 HydrophobicContact CE1-CB 3.82Å; F676-N681 WeakPolarHBondContact CE2-ND2 3.5Å; F676-N681 HydrophobicContact CZ-CB 3.72Å; F676-N681 VanDerWaalsContact CZ-CG 3.44Å; F676-N681 WeakPolarHBondContact CZ-ND2 2.84Å; A677-N681 WeakPolarHBondContact O-CB 2.98Å; A677-N681 PolarHBondContact O-N 3.29Å; A677-N681 VanDerWaalsContact O-N 3.12Å; A677-N681 PolarHBondContact O-ND2 3.16Å; F678-N681 PolarHBondContact O-N 3.11Å; N681-A683 VanDerWaalsContact C-N 3.32Å; N681-L685 WeakPolarHBondContact O-CB 3.43Å; N681-L685 PolarHBondContact O-N 3.37Å; N681-L685 VanDerWaalsContact O-N 3.08Å; N681-K713 PolarHBondContact OD1-NZ 3.33Å |
| 682 | Y | 93.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.008 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.2 | -37.4 | 170.8 | -89.1 | -67.8 | 0 | 0 | 0 | 111.6 | Y97 A100 Y566 F678 E680 S686 W751 | Y97-Y682 VanDerWaalsContact CA-OH 3.27Å; Y97-Y682 WeakPolarHBondContact CA-OH 3.15Å; Y97-Y682 HydrophobicContact CD2-CD1 4.02Å; Y97-Y682 AromaticContact CD2-CD2 3.84Å; Y97-Y682 HydrophobicContact CD2-CD2 3.84Å; Y97-Y682 AromaticContact CD2-CE1 3.82Å; Y97-Y682 HydrophobicContact CD2-CE1 3.82Å; Y97-Y682 AromaticContact CD2-CE2 3.62Å; Y97-Y682 HydrophobicContact CD2-CE2 3.62Å; Y97-Y682 HydrophobicContact CD2-CG 4.03Å; Y97-Y682 AromaticContact CD2-CZ 3.62Å; Y97-Y682 HydrophobicContact CE2-CD1 4.17Å; Y97-Y682 HydrophobicContact CE2-CD2 4.27Å; Y97-Y682 HydrophobicContact CE2-CE1 4.38Å; Y97-Y682 HydrophobicContact CE2-CE2 4.47Å; Y97-Y682 HydrophobicContact CE2-CG 4.11Å; Y97-Y682 HydrophobicContact CG-CE2 4.48Å; Y97-Y682 PolarHBondContact N-OH 2.94Å; A100-Y682 HydrophobicContact CB-CE1 3.86Å; Y566-Y682 HydrophobicContact CE1-CG 4.33Å; Y566-Y682 WeakPolarHBondContact CE2-O 3.48Å; F678-Y682 HydrophobicContact CB-CD2 4.21Å; F678-Y682 HydrophobicContact CB-CE2 4.42Å; F678-Y682 HydrophobicContact CD1-CE2 4.2Å; F678-Y682 VanDerWaalsContact O-CB 3.32Å; F678-Y682 WeakPolarHBondContact O-CB 3.48Å; F678-Y682 VanDerWaalsContact O-CD2 3.23Å; F678-Y682 WeakPolarHBondContact O-CD2 3.17Å; F678-Y682 PolarHBondContact O-N 2.95Å; E680-Y682 PolarHBondContact O-N 3.29Å; Y682-S686 WeakPolarHBondContact O-CB 3.33Å; Y682-S686 PolarHBondContact O-N 3.27Å; Y682-S686 PolarHBondContact O-OG 3.39Å; Y682-W751 HydrophobicContact CD2-CB 4.25Å; Y682-W751 HydrophobicContact CE2-CB 3.85Å; Y682-W751 HydrophobicContact CE2-CE3 4.23Å |
| 683 | A | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.3 | -55.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y566 A569 G679 E680 N681 L685 S686 V687 | Y566-A683 VanDerWaalsContact CD2-CA 3.47Å; Y566-A683 HydrophobicContact CD2-CB 3.86Å; Y566-A683 VanDerWaalsContact CD2-N 3.31Å; Y566-A683 HydrophobicContact CE2-CB 4.39Å; A569-A683 HydrophobicContact CB-CB 3.73Å; G679-A683 WeakPolarHBondContact O-CB 3.4Å; G679-A683 PolarHBondContact O-N 3.41Å; G679-A683 VanDerWaalsContact O-N 3.11Å; E680-A683 WeakPolarHBondContact O-CB 3.29Å; E680-A683 PolarHBondContact O-N 3.28Å; E680-A683 VanDerWaalsContact O-N 3.09Å; N681-A683 VanDerWaalsContact C-N 3.32Å; A683-L685 VanDerWaalsContact C-N 3.35Å; A683-L685 PolarHBondContact O-N 2.97Å; A683-S686 PolarHBondContact O-N 3.1Å; A683-V687 VanDerWaalsContact O-CG2 3.32Å; A683-V687 WeakPolarHBondContact O-CG2 3.47Å; A683-V687 PolarHBondContact O-N 3.35Å |
| 684 | F | 92.6 | Very high | 91.5 | Very high | 27 Ų | 27 | 9 Ų | 9 | 12% | 0.118 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 178.8 | -79.6 | -70.2 | 0 | 0 | 0 | 112.2 | V540 T543 L573 E680 S686 V687 V688 | V540-F684 HydrophobicContact CG2-CE1 4.46Å; V540-F684 HydrophobicContact CG2-CZ 4.2Å; T543-F684 HydrophobicContact CG2-CE2 3.63Å; T543-F684 HydrophobicContact CG2-CZ 3.87Å; T543-F684 VanDerWaalsContact OG1-CZ 3.27Å; T543-F684 WeakPolarHBondContact OG1-CZ 2.97Å; L573-F684 HydrophobicContact CD1-CD1 4.02Å; L573-F684 HydrophobicContact CD1-CE1 3.86Å; L573-F684 HydrophobicContact CD1-CZ 4.37Å; E680-F684 HydrophobicContact CG-CD2 3.91Å; E680-F684 HydrophobicContact CG-CE2 3.78Å; E680-F684 WeakPolarHBondContact O-CD2 3.41Å; E680-F684 PolarHBondContact O-N 3.31Å; E680-F684 VanDerWaalsContact O-N 3.08Å; F684-S686 VanDerWaalsContact C-N 3.31Å; F684-S686 PolarHBondContact O-N 3.37Å; F684-V687 PolarHBondContact O-N 3.16Å; F684-V688 WeakPolarHBondContact O-CG2 3.25Å; F684-V688 PolarHBondContact O-N 3.16Å |
| 685 | L | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -55.4 | -48.1 | 176.5 | -172.2 | 68.9 | 0 | 0 | 0 | 111.4 | Y97 M101 N681 A683 H689 Y709 F710 K713 | Y97-L685 HydrophobicContact CE2-CD2 4.21Å; M101-L685 HydrophobicContact CB-CD2 4.26Å; M101-L685 HydrophobicContact CE-CD1 3.94Å; M101-L685 HydrophobicContact CE-CD2 4.26Å; M101-L685 HydrophobicContact CG-CD1 4.13Å; M101-L685 HydrophobicContact CG-CD2 4.43Å; M101-L685 HydrophobicContact SD-CD1 4.46Å; N681-L685 WeakPolarHBondContact O-CB 3.43Å; N681-L685 PolarHBondContact O-N 3.37Å; N681-L685 VanDerWaalsContact O-N 3.08Å; A683-L685 VanDerWaalsContact C-N 3.35Å; A683-L685 PolarHBondContact O-N 2.97Å; L685-H689 VanDerWaalsContact O-CB 3.31Å; L685-H689 WeakPolarHBondContact O-CB 3.26Å; L685-H689 PolarHBondContact O-N 2.83Å; L685-Y709 HydrophobicContact CD1-CE1 4.19Å; L685-F710 HydrophobicContact CD1-CD1 3.92Å; L685-F710 HydrophobicContact CD1-CE1 3.36Å; L685-F710 HydrophobicContact CD1-CZ 4.17Å; L685-F710 HydrophobicContact CG-CE1 4.06Å; L685-K713 HydrophobicContact CD1-CG 4.23Å |
| 686 | S | 94.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.007 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -71.4 | -36.5 | -178.7 | -72.3 | 0 | 0 | 0 | 0 | 113.6 | Y566 Y682 A683 F684 H689 T690 S755 | Y566-S686 PolarHBondContact OH-OG 3.4Å; Y682-S686 WeakPolarHBondContact O-CB 3.33Å; Y682-S686 PolarHBondContact O-N 3.27Å; Y682-S686 PolarHBondContact O-OG 3.39Å; A683-S686 PolarHBondContact O-N 3.1Å; F684-S686 VanDerWaalsContact C-N 3.31Å; F684-S686 PolarHBondContact O-N 3.37Å; S686-H689 WeakPolarHBondContact O-CB 3.46Å; S686-H689 PolarHBondContact O-N 3.16Å; S686-T690 WeakPolarHBondContact O-CB 3.08Å; S686-T690 PolarHBondContact O-N 2.89Å; S686-T690 PolarHBondContact O-OG1 2.61Å; S686-S755 PolarHBondContact OG-OG 2.83Å |
| 687 | V | 93.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 5.7 Ų | 5.7 | 1% | 0.012 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -66 | -47.2 | 177.4 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | Y570 L573 A683 F684 H689 T690 I691 | Y570-V687 HydrophobicContact CD2-CG2 3.57Å; Y570-V687 HydrophobicContact CE2-CG2 3.88Å; Y570-V687 HydrophobicContact CG-CG2 4.45Å; L573-V687 HydrophobicContact CB-CB 4.36Å; L573-V687 HydrophobicContact CB-CG1 4.03Å; L573-V687 HydrophobicContact CB-CG2 3.54Å; L573-V687 HydrophobicContact CD1-CB 4.46Å; L573-V687 HydrophobicContact CD1-CG2 3.88Å; L573-V687 HydrophobicContact CG-CG2 4.39Å; A683-V687 VanDerWaalsContact O-CG2 3.32Å; A683-V687 WeakPolarHBondContact O-CG2 3.47Å; A683-V687 PolarHBondContact O-N 3.35Å; F684-V687 PolarHBondContact O-N 3.16Å; V687-H689 VanDerWaalsContact C-N 3.3Å; V687-H689 PolarHBondContact O-N 3.06Å; V687-T690 WeakPolarHBondContact O-CB 3.4Å; V687-T690 PolarHBondContact O-N 3.05Å; V687-T690 VanDerWaalsContact O-N 3.17Å; V687-I691 HydrophobicContact CG1-CD1 3.9Å; V687-I691 HydrophobicContact CG1-CG1 4.48Å; V687-I691 WeakPolarHBondContact O-CG1 3.35Å; V687-I691 PolarHBondContact O-N 3Å |
| 688 | V | 94.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 4.5 Ų | 4.5 | 1% | 0.006 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 178.2 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | Y629 V630 C633 F684 T690 I691 I692 Y709 | Y629-V688 HydrophobicContact CE1-CG2 4.33Å; V630-V688 HydrophobicContact CG2-CG1 4.41Å; C633-V688 HydrophobicContact CB-CG2 4.46Å; F684-V688 WeakPolarHBondContact O-CG2 3.25Å; F684-V688 PolarHBondContact O-N 3.16Å; V688-T690 PolarHBondContact O-N 2.83Å; V688-I691 PolarHBondContact O-N 2.73Å; V688-I692 HydrophobicContact CG1-CD1 3.83Å; V688-I692 HydrophobicContact CG1-CG1 4.42Å; V688-I692 WeakPolarHBondContact O-CD1 3.48Å; V688-I692 VanDerWaalsContact O-CG1 3.25Å; V688-I692 WeakPolarHBondContact O-CG1 3.17Å; V688-I692 PolarHBondContact O-N 2.98Å; V688-Y709 HydrophobicContact CB-CD1 4.27Å; V688-Y709 HydrophobicContact CB-CE1 3.74Å; V688-Y709 HydrophobicContact CB-CE2 4.43Å; V688-Y709 HydrophobicContact CG1-CD1 3.48Å; V688-Y709 VanDerWaalsContact CG1-CD1 3.48Å; V688-Y709 HydrophobicContact CG1-CD2 4.07Å; V688-Y709 HydrophobicContact CG1-CE1 3.47Å; V688-Y709 VanDerWaalsContact CG1-CE1 3.47Å; V688-Y709 HydrophobicContact CG1-CE2 4.1Å; V688-Y709 HydrophobicContact CG1-CG 3.79Å; V688-Y709 HydrophobicContact CG2-CE1 4.31Å; V688-Y709 HydrophobicContact CG2-CE2 4.17Å |
| 689 | H | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -55.3 | -49.1 | 171.7 | -169.5 | 68.9 | 0 | 0 | 0 | 112.5 | R104 Q107 Y162 L685 S686 V687 I691 I692 I693 F710 | R104-H689 WeakPolarHBondContact CD-NE2 3.44Å; Q107-H689 PolarHBondContact OE1-NE2 2.94Å; Y162-H689 PolarHBondContact OH-NE2 3.48Å; L685-H689 VanDerWaalsContact O-CB 3.31Å; L685-H689 WeakPolarHBondContact O-CB 3.26Å; L685-H689 PolarHBondContact O-N 2.83Å; S686-H689 WeakPolarHBondContact O-CB 3.46Å; S686-H689 PolarHBondContact O-N 3.16Å; V687-H689 VanDerWaalsContact C-N 3.3Å; V687-H689 PolarHBondContact O-N 3.06Å; H689-I691 VanDerWaalsContact C-N 3.34Å; H689-I691 PolarHBondContact O-N 3.2Å; H689-I692 PolarHBondContact O-N 3.34Å; H689-I693 WeakPolarHBondContact CD2-CD1 3.4Å; H689-I693 WeakPolarHBondContact NE2-CD1 3.36Å; H689-I693 WeakPolarHBondContact O-CG1 3.46Å; H689-I693 PolarHBondContact O-N 2.9Å; H689-F710 HydrophobicContact CB-CE2 4.45Å; H689-F710 HydrophobicContact CB-CZ 3.91Å; H689-F710 AromaticContact ND1-CE2 3.77Å; H689-F710 AromaticContact ND1-CZ 3.49Å; H689-F710 WeakPolarHBondContact ND1-CZ 3.27Å |
| 690 | T | 96 | Very high | 93.6 | Very high | 1 Ų | 1 | 4.1 Ų | 4.1 | 1% | 0.006 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 178.6 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | Y570 F574 L578 S686 V687 V688 I693 A694 | Y570-T690 WeakPolarHBondContact OH-CG2 3.17Å; Y570-T690 PolarHBondContact OH-OG1 3.07Å; F574-T690 HydrophobicContact CD2-CG2 4.03Å; F574-T690 HydrophobicContact CE2-CG2 4.09Å; L578-T690 HydrophobicContact CD2-CG2 3.64Å; S686-T690 WeakPolarHBondContact O-CB 3.08Å; S686-T690 PolarHBondContact O-N 2.89Å; S686-T690 PolarHBondContact O-OG1 2.61Å; V687-T690 WeakPolarHBondContact O-CB 3.4Å; V687-T690 PolarHBondContact O-N 3.05Å; V687-T690 VanDerWaalsContact O-N 3.17Å; V688-T690 PolarHBondContact O-N 2.83Å; T690-I693 PolarHBondContact O-N 3.22Å; T690-A694 WeakPolarHBondContact O-CB 3.42Å; T690-A694 PolarHBondContact O-N 2.88Å |
| 691 | I | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -61.6 | -48.2 | 176.3 | -68.7 | 165.7 | 0 | 0 | 0 | 110.8 | V577 L578 F626 Y629 V630 V687 V688 H689 I693 A694 Y695 I702 | V577-I691 HydrophobicContact CG1-CD1 4.18Å; L578-I691 HydrophobicContact CB-CG1 4.21Å; L578-I691 HydrophobicContact CD1-CG1 4.17Å; L578-I691 HydrophobicContact CD2-CG1 4.27Å; L578-I691 HydrophobicContact CG-CG1 4.45Å; F626-I691 HydrophobicContact CB-CG2 3.93Å; F626-I691 HydrophobicContact CD1-CD1 4.38Å; F626-I691 HydrophobicContact CD1-CG1 4.41Å; F626-I691 HydrophobicContact CD1-CG2 3.63Å; F626-I691 HydrophobicContact CE1-CG2 4.49Å; F626-I691 HydrophobicContact CG-CG2 4.02Å; Y629-I691 HydrophobicContact CD1-CD1 3.87Å; Y629-I691 HydrophobicContact CE1-CD1 3.52Å; V630-I691 HydrophobicContact CG2-CG2 4.19Å; V687-I691 HydrophobicContact CG1-CD1 3.9Å; V687-I691 HydrophobicContact CG1-CG1 4.48Å; V687-I691 WeakPolarHBondContact O-CG1 3.35Å; V687-I691 PolarHBondContact O-N 3Å; V688-I691 PolarHBondContact O-N 2.73Å; H689-I691 VanDerWaalsContact C-N 3.34Å; H689-I691 PolarHBondContact O-N 3.2Å; I691-I693 VanDerWaalsContact C-N 3.35Å; I691-I693 PolarHBondContact O-N 2.71Å; I691-A694 PolarHBondContact O-N 3.5Å; I691-Y695 PolarHBondContact O-N 3.38Å; I691-Y695 VanDerWaalsContact O-N 3.08Å; I691-I702 HydrophobicContact CG2-CD1 4.19Å |
| 692 | I | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -58 | -49.7 | 180 | -64.9 | 156.8 | 0 | 0 | 0 | 109.7 | L108 V630 V688 H689 Y695 T696 F710 | L108-I692 HydrophobicContact CD1-CD1 4.43Å; L108-I692 HydrophobicContact CD1-CG2 4.39Å; L108-I692 HydrophobicContact CD2-CB 4.27Å; L108-I692 HydrophobicContact CD2-CG2 3.56Å; V630-I692 HydrophobicContact CG2-CG1 4.2Å; V688-I692 HydrophobicContact CG1-CD1 3.83Å; V688-I692 HydrophobicContact CG1-CG1 4.42Å; V688-I692 WeakPolarHBondContact O-CD1 3.48Å; V688-I692 VanDerWaalsContact O-CG1 3.25Å; V688-I692 WeakPolarHBondContact O-CG1 3.17Å; V688-I692 PolarHBondContact O-N 2.98Å; H689-I692 PolarHBondContact O-N 3.34Å; I692-Y695 PolarHBondContact O-N 3.14Å; I692-T696 WeakPolarHBondContact O-CB 3.02Å; I692-T696 PolarHBondContact O-N 2.91Å; I692-T696 PolarHBondContact O-OG1 2.76Å; I692-F710 HydrophobicContact CD1-CD2 4.28Å; I692-F710 HydrophobicContact CD1-CE2 3.85Å |
| 693 | I | 95.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 4.7 Ų | 4.7 | 2% | 0.015 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 180 | -61.3 | 161.6 | 0 | 0 | 0 | 111.1 | L108 L111 Y162 H689 T690 I691 Y695 T696 P697 G762 V763 A766 | L108-I693 HydrophobicContact CD2-CG1 4.2Å; L111-I693 HydrophobicContact CD1-CB 4.27Å; L111-I693 HydrophobicContact CD1-CG1 3.94Å; L111-I693 HydrophobicContact CD1-CG2 4.18Å; Y162-I693 HydrophobicContact CE2-CD1 3.57Å; Y162-I693 HydrophobicContact CE2-CG1 4.15Å; Y162-I693 WeakPolarHBondContact OH-CD1 3.44Å; H689-I693 WeakPolarHBondContact CD2-CD1 3.4Å; H689-I693 WeakPolarHBondContact NE2-CD1 3.36Å; H689-I693 WeakPolarHBondContact O-CG1 3.46Å; H689-I693 PolarHBondContact O-N 2.9Å; T690-I693 PolarHBondContact O-N 3.22Å; I691-I693 VanDerWaalsContact C-N 3.35Å; I691-I693 PolarHBondContact O-N 2.71Å; I693-Y695 PolarHBondContact O-N 2.92Å; I693-T696 PolarHBondContact O-N 2.7Å; I693-P697 VanDerWaalsContact O-CD 3.32Å; I693-P697 WeakPolarHBondContact O-CD 3.43Å; I693-G762 VanDerWaalsContact CG2-C 3.41Å; I693-G762 WeakPolarHBondContact CG2-O 3.25Å; I693-V763 HydrophobicContact CG2-CG2 4.13Å; I693-A766 HydrophobicContact CG2-CB 4.21Å; I693-A766 WeakPolarHBondContact O-CB 3.37Å |
| 694 | A | 93.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -58.9 | -36.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L578 T690 I691 M765 N769 | L578-A694 HydrophobicContact CD1-CB 4.44Å; L578-A694 HydrophobicContact CD2-CB 4.43Å; T690-A694 WeakPolarHBondContact O-CB 3.42Å; T690-A694 PolarHBondContact O-N 2.88Å; I691-A694 PolarHBondContact O-N 3.5Å; A694-M765 HydrophobicContact CB-CB 3.64Å; A694-N769 PolarHBondContact O-ND2 3.41Å |
| 695 | Y | 92.3 | Very high | 94 | Very high | 2 Ų | 2 | 7.4 Ų | 7.4 | 1% | 0.008 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -102.9 | -8.6 | -175.5 | -84 | -87.9 | 0 | 0 | 0 | 114.7 | L578 S582 S622 F626 I691 I692 I693 V698 C699 | L578-Y695 HydrophobicContact CD1-CD2 4.15Å; L578-Y695 HydrophobicContact CD1-CE2 3.63Å; S582-Y695 VanDerWaalsContact CB-OH 3.3Å; S582-Y695 WeakPolarHBondContact CB-OH 3.16Å; S582-Y695 PolarHBondContact OG-OH 3.05Å; S622-Y695 VanDerWaalsContact OG-CE1 3.31Å; S622-Y695 WeakPolarHBondContact OG-CE1 3.24Å; S622-Y695 PolarHBondContact OG-OH 3.25Å; F626-Y695 HydrophobicContact CB-CD2 4.44Å; F626-Y695 HydrophobicContact CD2-CD1 4.27Å; F626-Y695 AromaticContact CD2-CD2 3.77Å; F626-Y695 HydrophobicContact CD2-CD2 3.77Å; F626-Y695 AromaticContact CD2-CE1 3.84Å; F626-Y695 HydrophobicContact CD2-CE1 3.84Å; F626-Y695 AromaticContact CD2-CE2 3.28Å; F626-Y695 HydrophobicContact CD2-CE2 3.28Å; F626-Y695 HydrophobicContact CD2-CG 4.24Å; F626-Y695 AromaticContact CD2-CZ 3.32Å; F626-Y695 HydrophobicContact CE2-CD2 4.27Å; F626-Y695 HydrophobicContact CE2-CE1 4.25Å; F626-Y695 AromaticContact CE2-CE2 3.36Å; F626-Y695 HydrophobicContact CE2-CE2 3.36Å; F626-Y695 AromaticContact CE2-CZ 3.35Å; F626-Y695 WeakPolarHBondContact CE2-OH 2.99Å; F626-Y695 HydrophobicContact CG-CD2 4.09Å; F626-Y695 AromaticContact CG-CE2 3.98Å; F626-Y695 HydrophobicContact CG-CE2 3.98Å; F626-Y695 HydrophobicContact CZ-CE2 4.07Å; I691-Y695 PolarHBondContact O-N 3.38Å; I691-Y695 VanDerWaalsContact O-N 3.08Å; I692-Y695 PolarHBondContact O-N 3.14Å; I693-Y695 PolarHBondContact O-N 2.92Å; Y695-V698 HydrophobicContact CD1-CB 4.23Å; Y695-V698 HydrophobicContact CD1-CG1 4.39Å; Y695-V698 PolarHBondContact O-N 3.1Å; Y695-C699 PolarHBondContact O-N 2.95Å |
| 696 | T | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -43.2 | 177.4 | -66.4 | 0 | 0 | 0 | 0 | 113.1 | L111 I114 I692 I693 V698 P700 | L111-T696 HydrophobicContact CB-CG2 4.13Å; L111-T696 HydrophobicContact CD1-CG2 4.32Å; I114-T696 HydrophobicContact CB-CG2 4.13Å; I114-T696 HydrophobicContact CD1-CG2 4.44Å; I114-T696 HydrophobicContact CG2-CG2 3.83Å; I114-T696 WeakPolarHBondContact CG2-O 3.3Å; I692-T696 WeakPolarHBondContact O-CB 3.02Å; I692-T696 PolarHBondContact O-N 2.91Å; I692-T696 PolarHBondContact O-OG1 2.76Å; I693-T696 PolarHBondContact O-N 2.7Å; T696-V698 VanDerWaalsContact C-N 3.27Å; T696-V698 PolarHBondContact O-N 3.25Å; T696-P700 VanDerWaalsContact O-CA 3.23Å; T696-P700 WeakPolarHBondContact O-CA 3.49Å |
| 697 | P | 92.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 9.4 Ų | 9.4 | 3% | 0.026 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.9 | 175.7 | -20.2 | 32.1 | 0 | 0 | 0 | 114.6 | I114 I155 I693 A766 V770 | I114-P697 HydrophobicContact CD1-CG 4.3Å; I155-P697 HydrophobicContact CD1-CB 4.13Å; I155-P697 HydrophobicContact CG1-CB 4.4Å; I693-P697 VanDerWaalsContact O-CD 3.32Å; I693-P697 WeakPolarHBondContact O-CD 3.43Å; P697-A766 HydrophobicContact CG-CB 4.03Å; P697-V770 HydrophobicContact CB-CG2 3.55Å; P697-V770 HydrophobicContact CG-CG2 4.38Å |
| 698 | V | 90.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 11.5 Ų | 11.5 | 4% | 0.036 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -50.1 | -176.2 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | T136 I137 P620 Y695 T696 N769 | T136-V698 WeakPolarHBondContact CA-O 3.28Å; I137-V698 HydrophobicContact CG2-CB 4.24Å; I137-V698 HydrophobicContact CG2-CG1 3.68Å; I137-V698 PolarHBondContact N-O 3.32Å; P620-V698 HydrophobicContact CB-CG1 4.05Å; Y695-V698 HydrophobicContact CD1-CB 4.23Å; Y695-V698 HydrophobicContact CD1-CG1 4.39Å; Y695-V698 PolarHBondContact O-N 3.1Å; T696-V698 VanDerWaalsContact C-N 3.27Å; T696-V698 PolarHBondContact O-N 3.25Å; V698-N769 HydrophobicContact CG2-CB 3.95Å |
| 699 | C | 90.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -132.2 | 85.8 | -178.1 | -59.8 | 0 | 0 | 0 | 0 | 109.2 | T136 I627 Y695 I701 I702 | T136-C699 HydrophobicContact CG2-CB 4.28Å; T136-C699 WeakPolarHBondContact CG2-SG 3.47Å; I627-C699 HydrophobicContact CD1-CB 4.2Å; Y695-C699 PolarHBondContact O-N 2.95Å; C699-I701 PolarHBondContact O-N 3Å; C699-I702 WeakPolarHBondContact O-CG2 3.48Å; C699-I702 PolarHBondContact O-N 3.42Å | ||
| 700 | P | 93 | Very high | 94.4 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -24.8 | -169.9 | -24.2 | 32.9 | 0 | 0 | 0 | 114.7 | I114 F115 C118 F122 T696 I702 Y703 | I114-P700 HydrophobicContact CG2-CG 4.41Å; F115-P700 HydrophobicContact CD2-CB 4.23Å; F115-P700 WeakPolarHBondContact CD2-O 3.31Å; C118-P700 HydrophobicContact CB-CG 4.22Å; F122-P700 HydrophobicContact CD2-CG 3.96Å; F122-P700 HydrophobicContact CE2-CG 3.6Å; T696-P700 VanDerWaalsContact O-CA 3.23Å; T696-P700 WeakPolarHBondContact O-CA 3.49Å; P700-I702 PolarHBondContact O-N 3.22Å; P700-I702 VanDerWaalsContact O-N 3.15Å; P700-Y703 WeakPolarHBondContact O-CB 3.49Å; P700-Y703 PolarHBondContact O-N 3.41Å |
| 701 | I | 91.9 | Very high | 94.3 | Very high | 38 Ų | 38 | 16.5 Ų | 16.5 | 20% | 0.195 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -24.4 | 177.5 | -160.2 | 169.2 | 0 | 0 | 0 | 113.6 | F21 I135 I627 C699 Y703 V704 F705 | F21-I701 HydrophobicContact CE1-CD1 4.28Å; I135-I701 HydrophobicContact CD1-CB 3.92Å; I135-I701 HydrophobicContact CD1-CD1 4.08Å; I135-I701 HydrophobicContact CD1-CG2 3.81Å; I627-I701 HydrophobicContact CD1-CG2 3.42Å; I627-I701 VanDerWaalsContact CD1-CG2 3.42Å; I627-I701 HydrophobicContact CG1-CG2 4.23Å; C699-I701 PolarHBondContact O-N 3Å; I701-Y703 PolarHBondContact O-N 2.92Å; I701-V704 PolarHBondContact O-N 3.38Å; I701-V704 VanDerWaalsContact O-N 3.15Å; I701-F705 HydrophobicContact CD1-CE2 4.27Å; I701-F705 HydrophobicContact CG1-CD2 4.44Å; I701-F705 HydrophobicContact CG1-CE2 4Å |
| 702 | I | 93.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.5 | -28.2 | 176 | -160.3 | 173.5 | 0 | 0 | 0 | 112 | F626 I627 V630 I691 C699 P700 V704 F705 G706 | F626-I702 HydrophobicContact CB-CD1 4.03Å; I627-I702 HydrophobicContact CG1-CB 3.79Å; I627-I702 HydrophobicContact CG1-CD1 4.31Å; I627-I702 HydrophobicContact CG1-CG1 3.91Å; V630-I702 HydrophobicContact CG2-CD1 4.21Å; V630-I702 HydrophobicContact CG2-CG1 4.3Å; I691-I702 HydrophobicContact CG2-CD1 4.19Å; C699-I702 WeakPolarHBondContact O-CG2 3.48Å; C699-I702 PolarHBondContact O-N 3.42Å; P700-I702 PolarHBondContact O-N 3.22Å; P700-I702 VanDerWaalsContact O-N 3.15Å; I702-V704 VanDerWaalsContact C-N 3.34Å; I702-V704 PolarHBondContact O-N 3.49Å; I702-F705 PolarHBondContact O-N 3.35Å; I702-G706 PolarHBondContact O-N 3.23Å |
| 703 | Y | 95.6 | Very high | 94.2 | Very high | 13 Ų | 13 | 19.3 Ų | 19.3 | 5% | 0.051 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.8 | -46 | 176.2 | 165.3 | -96.7 | 0 | 0 | 0 | 111.8 | L108 L111 T112 F115 P700 I701 G706 L707 | L108-Y703 WeakPolarHBondContact O-CE2 3.36Å; L111-Y703 HydrophobicContact CB-CD2 4.46Å; T112-Y703 PolarHBondContact OG1-OH 3.41Å; F115-Y703 HydrophobicContact CB-CD1 3.7Å; F115-Y703 HydrophobicContact CB-CE1 4.2Å; F115-Y703 HydrophobicContact CB-CG 4.11Å; F115-Y703 AromaticContact CD1-CD1 4Å; F115-Y703 HydrophobicContact CD1-CD1 4Å; F115-Y703 HydrophobicContact CD1-CE1 4.09Å; F115-Y703 HydrophobicContact CD2-CD1 4.17Å; F115-Y703 AromaticContact CG-CD1 3.67Å; F115-Y703 HydrophobicContact CG-CD1 3.67Å; F115-Y703 HydrophobicContact CG-CE1 4.19Å; F115-Y703 HydrophobicContact CG-CG 4.46Å; P700-Y703 WeakPolarHBondContact O-CB 3.49Å; P700-Y703 PolarHBondContact O-N 3.41Å; I701-Y703 PolarHBondContact O-N 2.92Å; Y703-G706 WeakPolarHBondContact O-CA 3.37Å; Y703-G706 PolarHBondContact O-N 3.16Å; Y703-L707 HydrophobicContact CD1-CD1 4.48Å; Y703-L707 HydrophobicContact CE1-CD1 3.74Å; Y703-L707 HydrophobicContact CE2-CD1 4.26Å; Y703-L707 HydrophobicContact CE2-CG 4.42Å; Y703-L707 PolarHBondContact O-N 3.15Å |
| 704 | V | 95.7 | Very high | 94 | Very high | 54 Ų | 54 | 22 Ų | 22 | 33% | 0.327 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -64.1 | -48.6 | -178 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | F115 I701 I702 G706 L707 V708 | F115-V704 HydrophobicContact CD2-CG2 4.12Å; F115-V704 HydrophobicContact CE1-CG2 4.08Å; F115-V704 HydrophobicContact CE2-CG2 3.51Å; F115-V704 HydrophobicContact CZ-CG2 3.49Å; F115-V704 VanDerWaalsContact CZ-CG2 3.49Å; I701-V704 PolarHBondContact O-N 3.38Å; I701-V704 VanDerWaalsContact O-N 3.15Å; I702-V704 VanDerWaalsContact C-N 3.34Å; I702-V704 PolarHBondContact O-N 3.49Å; V704-G706 PolarHBondContact O-N 3Å; V704-L707 PolarHBondContact O-N 3.24Å; V704-V708 WeakPolarHBondContact O-CG2 3.27Å; V704-V708 PolarHBondContact O-N 2.94Å; V704-V708 VanDerWaalsContact O-N 3.1Å |
| 705 | F | 95.2 | Very high | 93.9 | Very high | 30 Ų | 30 | 24.5 Ų | 24.5 | 13% | 0.132 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.6 | -28.6 | 176.7 | -64.9 | -64.2 | 0 | 0 | 0 | 112.5 | V24 L28 I627 V630 I631 I701 I702 V708 Y709 | V24-F705 HydrophobicContact CG1-CE2 3.91Å; V24-F705 HydrophobicContact CG1-CZ 4.03Å; L28-F705 HydrophobicContact CD1-CE1 4.05Å; L28-F705 HydrophobicContact CD2-CE1 4.11Å; I627-F705 HydrophobicContact CG2-CD2 3.73Å; I627-F705 HydrophobicContact CG2-CE2 3.96Å; V630-F705 HydrophobicContact CG1-CB 4.16Å; I631-F705 HydrophobicContact CD1-CD1 3.82Å; I631-F705 HydrophobicContact CD1-CD2 4.09Å; I631-F705 HydrophobicContact CD1-CE1 3.78Å; I631-F705 HydrophobicContact CD1-CE2 4.03Å; I631-F705 HydrophobicContact CD1-CG 3.97Å; I631-F705 HydrophobicContact CD1-CZ 3.88Å; I631-F705 HydrophobicContact CG1-CB 4.06Å; I631-F705 HydrophobicContact CG1-CD1 3.56Å; I631-F705 HydrophobicContact CG1-CD2 4.28Å; I631-F705 HydrophobicContact CG1-CE1 4.02Å; I631-F705 HydrophobicContact CG1-CG 3.7Å; I701-F705 HydrophobicContact CD1-CE2 4.27Å; I701-F705 HydrophobicContact CG1-CD2 4.44Å; I701-F705 HydrophobicContact CG1-CE2 4Å; I702-F705 PolarHBondContact O-N 3.35Å; F705-V708 WeakPolarHBondContact O-CB 3.3Å; F705-V708 PolarHBondContact O-N 3.38Å; F705-Y709 PolarHBondContact O-N 3.38Å |
| 706 | G | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I702 Y703 V704 V708 Y709 F710 | I702-G706 PolarHBondContact O-N 3.23Å; Y703-G706 WeakPolarHBondContact O-CA 3.37Å; Y703-G706 PolarHBondContact O-N 3.16Å; V704-G706 PolarHBondContact O-N 3Å; G706-V708 VanDerWaalsContact C-N 3.32Å; G706-V708 PolarHBondContact O-N 3.05Å; G706-Y709 WeakPolarHBondContact O-CB 3.46Å; G706-Y709 PolarHBondContact O-N 2.98Å; G706-F710 WeakPolarHBondContact O-CD2 3.03Å; G706-F710 PolarHBondContact O-N 3.46Å; G706-F710 VanDerWaalsContact O-N 3.11Å |
| 707 | L | 97.2 | Very high | 93.6 | Very high | 43 Ų | 43 | 25.4 Ų | 25.4 | 23% | 0.225 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 173.4 | -68.5 | 179.4 | 0 | 0 | 0 | 111.9 | V105 L108 F109 Y703 V704 F710 L711 | V105-L707 HydrophobicContact CG1-CD2 4.35Å; L108-L707 HydrophobicContact CB-CD2 4.15Å; L108-L707 HydrophobicContact CD1-CD2 4.13Å; F109-L707 HydrophobicContact CD1-CD2 4.33Å; F109-L707 HydrophobicContact CE1-CD1 4.13Å; F109-L707 HydrophobicContact CE1-CD2 3.94Å; Y703-L707 HydrophobicContact CD1-CD1 4.48Å; Y703-L707 HydrophobicContact CE1-CD1 3.74Å; Y703-L707 HydrophobicContact CE2-CD1 4.26Å; Y703-L707 HydrophobicContact CE2-CG 4.42Å; Y703-L707 PolarHBondContact O-N 3.15Å; V704-L707 PolarHBondContact O-N 3.24Å; L707-F710 PolarHBondContact O-N 3.11Å; L707-L711 WeakPolarHBondContact O-CB 3.42Å; L707-L711 PolarHBondContact O-N 3.28Å |
| 708 | V | 95.8 | Very high | 93.5 | Very high | 47 Ų | 47 | 26 Ų | 26 | 29% | 0.285 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -60 | -45.4 | 174.6 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | V704 F705 G706 F710 L711 F712 | V704-V708 WeakPolarHBondContact O-CG2 3.27Å; V704-V708 PolarHBondContact O-N 2.94Å; V704-V708 VanDerWaalsContact O-N 3.1Å; F705-V708 WeakPolarHBondContact O-CB 3.3Å; F705-V708 PolarHBondContact O-N 3.38Å; G706-V708 VanDerWaalsContact C-N 3.32Å; G706-V708 PolarHBondContact O-N 3.05Å; V708-F710 PolarHBondContact O-N 3.38Å; V708-L711 PolarHBondContact O-N 3.23Å; V708-F712 HydrophobicContact CG1-CD2 3.67Å; V708-F712 HydrophobicContact CG1-CE2 3.66Å; V708-F712 WeakPolarHBondContact O-CD2 3.2Å; V708-F712 PolarHBondContact O-N 3.06Å |
| 709 | Y | 96.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 27 Ų | 27 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.6 | -52.5 | 174.6 | 168.8 | -97.9 | 0 | 0 | 0 | 111.8 | C633 A634 L685 V688 F705 G706 L711 F712 K713 | C633-Y709 HydrophobicContact CB-CD2 4.01Å; C633-Y709 HydrophobicContact CB-CE2 3.93Å; A634-Y709 HydrophobicContact CB-CD2 4.2Å; L685-Y709 HydrophobicContact CD1-CE1 4.19Å; V688-Y709 HydrophobicContact CB-CD1 4.27Å; V688-Y709 HydrophobicContact CB-CE1 3.74Å; V688-Y709 HydrophobicContact CB-CE2 4.43Å; V688-Y709 HydrophobicContact CG1-CD1 3.48Å; V688-Y709 VanDerWaalsContact CG1-CD1 3.48Å; V688-Y709 HydrophobicContact CG1-CD2 4.07Å; V688-Y709 HydrophobicContact CG1-CE1 3.47Å; V688-Y709 VanDerWaalsContact CG1-CE1 3.47Å; V688-Y709 HydrophobicContact CG1-CE2 4.1Å; V688-Y709 HydrophobicContact CG1-CG 3.79Å; V688-Y709 HydrophobicContact CG2-CE1 4.31Å; V688-Y709 HydrophobicContact CG2-CE2 4.17Å; F705-Y709 PolarHBondContact O-N 3.38Å; G706-Y709 WeakPolarHBondContact O-CB 3.46Å; G706-Y709 PolarHBondContact O-N 2.98Å; Y709-L711 VanDerWaalsContact C-N 3.3Å; Y709-L711 PolarHBondContact O-N 2.87Å; Y709-F712 PolarHBondContact O-N 3.17Å; Y709-K713 HydrophobicContact CE2-CD 4.16Å; Y709-K713 WeakPolarHBondContact O-CB 3.25Å; Y709-K713 PolarHBondContact O-N 3.19Å |
| 710 | F | 96.3 | Very high | 93 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.8 | -33.7 | -178.6 | -84 | -78.1 | 0 | 0 | 0 | 112.9 | M101 R104 V105 L108 L685 H689 I692 G706 L707 V708 F714 | M101-F710 HydrophobicContact CG-CD1 3.74Å; M101-F710 HydrophobicContact CG-CE1 4.2Å; R104-F710 HydrophobicContact CB-CD1 4.25Å; R104-F710 HydrophobicContact CB-CE1 3.41Å; R104-F710 VanDerWaalsContact CB-CE1 3.41Å; R104-F710 HydrophobicContact CB-CZ 3.6Å; R104-F710 HydrophobicContact CG-CE1 4.02Å; R104-F710 HydrophobicContact CG-CZ 4.24Å; V105-F710 HydrophobicContact CG2-CB 3.6Å; V105-F710 HydrophobicContact CG2-CD1 4.12Å; V105-F710 HydrophobicContact CG2-CG 3.92Å; L108-F710 HydrophobicContact CD1-CD2 3.46Å; L108-F710 VanDerWaalsContact CD1-CD2 3.46Å; L108-F710 HydrophobicContact CD1-CE2 3.54Å; L108-F710 HydrophobicContact CG-CE2 4.42Å; L685-F710 HydrophobicContact CD1-CD1 3.92Å; L685-F710 HydrophobicContact CD1-CE1 3.36Å; L685-F710 HydrophobicContact CD1-CZ 4.17Å; L685-F710 HydrophobicContact CG-CE1 4.06Å; H689-F710 HydrophobicContact CB-CE2 4.45Å; H689-F710 HydrophobicContact CB-CZ 3.91Å; H689-F710 AromaticContact ND1-CE2 3.77Å; H689-F710 AromaticContact ND1-CZ 3.49Å; H689-F710 WeakPolarHBondContact ND1-CZ 3.27Å; I692-F710 HydrophobicContact CD1-CD2 4.28Å; I692-F710 HydrophobicContact CD1-CE2 3.85Å; G706-F710 WeakPolarHBondContact O-CD2 3.03Å; G706-F710 PolarHBondContact O-N 3.46Å; G706-F710 VanDerWaalsContact O-N 3.11Å; L707-F710 PolarHBondContact O-N 3.11Å; V708-F710 PolarHBondContact O-N 3.38Å; F710-F714 WeakPolarHBondContact O-CB 3.34Å; F710-F714 PolarHBondContact O-N 3.5Å |
| 711 | L | 94.1 | Very high | 92.7 | Very high | 99 Ų | 99 | 27.1 Ų | 27.1 | 52% | 0.518 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62.8 | -53.7 | 174.9 | 177.7 | 64.1 | 0 | 0 | 0 | 111.4 | L707 V708 Y709 F714 L715 | L707-L711 WeakPolarHBondContact O-CB 3.42Å; L707-L711 PolarHBondContact O-N 3.28Å; V708-L711 PolarHBondContact O-N 3.23Å; Y709-L711 VanDerWaalsContact C-N 3.3Å; Y709-L711 PolarHBondContact O-N 2.87Å; L711-F714 PolarHBondContact O-N 3.44Å; L711-L715 HydrophobicContact CD1-CD1 4.24Å; L711-L715 HydrophobicContact CG-CD1 4.31Å; L711-L715 WeakPolarHBondContact O-CG 3.43Å; L711-L715 PolarHBondContact O-N 3.46Å |
| 712 | F | 93.3 | Very high | 92.1 | Very high | 50 Ų | 50 | 25.4 Ų | 25.4 | 22% | 0.219 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | 179.1 | -80 | -76.4 | 0 | 0 | 0 | 111.5 | F35 L635 T638 V708 Y709 F714 L715 I716 | F35-F712 HydrophobicContact CD1-CE1 4.32Å; F35-F712 HydrophobicContact CE1-CD1 4.08Å; F35-F712 AromaticContact CE1-CE1 3.49Å; F35-F712 HydrophobicContact CE1-CE1 3.49Å; F35-F712 VanDerWaalsContact CE1-CE1 3.49Å; F35-F712 HydrophobicContact CE1-CZ 4.33Å; F35-F712 HydrophobicContact CE2-CD1 4.11Å; F35-F712 HydrophobicContact CE2-CE1 4.34Å; F35-F712 AromaticContact CZ-CD1 3.58Å; F35-F712 HydrophobicContact CZ-CD1 3.58Å; F35-F712 AromaticContact CZ-CE1 3.5Å; F35-F712 HydrophobicContact CZ-CE1 3.5Å; L635-F712 HydrophobicContact CD2-CD2 4.2Å; L635-F712 HydrophobicContact CD2-CE2 3.8Å; L635-F712 HydrophobicContact CD2-CZ 4.01Å; T638-F712 HydrophobicContact CG2-CB 4.02Å; V708-F712 HydrophobicContact CG1-CD2 3.67Å; V708-F712 HydrophobicContact CG1-CE2 3.66Å; V708-F712 WeakPolarHBondContact O-CD2 3.2Å; V708-F712 PolarHBondContact O-N 3.06Å; Y709-F712 PolarHBondContact O-N 3.17Å; F712-F714 VanDerWaalsContact C-N 3.31Å; F712-F714 PolarHBondContact O-N 3.42Å; F712-L715 PolarHBondContact O-N 3.42Å; F712-I716 WeakPolarHBondContact O-CG1 3.46Å; F712-I716 PolarHBondContact O-N 2.99Å |
| 713 | K | 94.3 | Very high | 91.1 | Very high | 8 Ų | 8 | 25.5 Ų | 25.5 | 4% | 0.035 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57 | -44.5 | 176.6 | -166.6 | 85.5 | 177.8 | 90.1 | 0 | 111.3 | M101 T638 N681 L685 Y709 D717 | M101-K713 HydrophobicContact CE-CB 4.34Å; M101-K713 HydrophobicContact CE-CG 3.61Å; M101-K713 HydrophobicContact SD-CB 4.12Å; M101-K713 HydrophobicContact SD-CG 4.04Å; T638-K713 HydrophobicContact CG2-CD 4.49Å; N681-K713 PolarHBondContact OD1-NZ 3.33Å; L685-K713 HydrophobicContact CD1-CG 4.23Å; Y709-K713 HydrophobicContact CE2-CD 4.16Å; Y709-K713 WeakPolarHBondContact O-CB 3.25Å; Y709-K713 PolarHBondContact O-N 3.19Å; K713-D717 WeakPolarHBondContact CE-OD2 3.16Å; K713-D717 WeakPolarHBondContact CG-OD2 3.44Å; K713-D717 IonicContact NZ-OD1 3.16Å; K713-D717 PolarHBondContact NZ-OD1 2.83Å; K713-D717 IonicContact NZ-OD2 3.82Å; K713-D717 PolarHBondContact NZ-OD2 2.9Å; K713-D717 VanDerWaalsContact O-CB 3.3Å; K713-D717 WeakPolarHBondContact O-CB 3.19Å; K713-D717 PolarHBondContact O-N 3.26Å |
| 714 | F | 92.7 | Very high | 90.3 | Very high | 59 Ų | 59 | 24.9 Ų | 24.9 | 26% | 0.259 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 177.8 | 172.5 | -93.8 | 0 | 0 | 0 | 112.3 | I98 M101 F710 L711 F712 K718 | I98-F714 HydrophobicContact CG2-CD2 4.04Å; I98-F714 HydrophobicContact CG2-CE2 3.49Å; I98-F714 VanDerWaalsContact CG2-CE2 3.49Å; I98-F714 HydrophobicContact CG2-CZ 4.45Å; M101-F714 WeakPolarHBondContact SD-CA 3.44Å; M101-F714 HydrophobicContact SD-CB 3.63Å; M101-F714 HydrophobicContact SD-CD2 4.44Å; M101-F714 PolarHBondContact SD-N 3.03Å; F710-F714 WeakPolarHBondContact O-CB 3.34Å; F710-F714 PolarHBondContact O-N 3.5Å; L711-F714 PolarHBondContact O-N 3.44Å; F712-F714 VanDerWaalsContact C-N 3.31Å; F712-F714 PolarHBondContact O-N 3.42Å; F714-K718 HydrophobicContact CE1-CD 4.29Å; F714-K718 HydrophobicContact CZ-CD 4.1Å; F714-K718 WeakPolarHBondContact O-CB 3.44Å; F714-K718 PolarHBondContact O-N 3.48Å |
| 715 | L | 90 | Very high | 89.6 | Confident | 54 Ų | 54 | 23.9 Ų | 23.9 | 28% | 0.283 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -63.3 | -45.9 | -179.2 | -68.5 | 172.7 | 0 | 0 | 0 | 111.3 | F78 L79 L711 F712 F719 | F78-L715 HydrophobicContact CE1-CD2 4.37Å; F78-L715 WeakPolarHBondContact CZ-O 3.23Å; L79-L715 HydrophobicContact CD2-CD2 3.74Å; L711-L715 HydrophobicContact CD1-CD1 4.24Å; L711-L715 HydrophobicContact CG-CD1 4.31Å; L711-L715 WeakPolarHBondContact O-CG 3.43Å; L711-L715 PolarHBondContact O-N 3.46Å; F712-L715 PolarHBondContact O-N 3.42Å; L715-F719 WeakPolarHBondContact O-CB 3.45Å; L715-F719 PolarHBondContact O-N 3.23Å; L715-F719 VanDerWaalsContact O-N 3.11Å |
| 716 | I | 90 | Very high | 88.7 | Confident | 20 Ų | 20 | 24.2 Ų | 24.2 | 10% | 0.103 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71.7 | -48.1 | -177.1 | -61.2 | -41.3 | 0 | 0 | 0 | 111.6 | I642 F712 K718 F719 M720 | I642-I716 HydrophobicContact CD1-CD1 3.34Å; I642-I716 HydrophobicContact CD1-CG1 3.89Å; I642-I716 HydrophobicContact CG1-CB 4.45Å; I642-I716 HydrophobicContact CG1-CD1 3.64Å; I642-I716 HydrophobicContact CG1-CG1 3.92Å; I642-I716 HydrophobicContact CG1-CG2 3.68Å; F712-I716 WeakPolarHBondContact O-CG1 3.46Å; F712-I716 PolarHBondContact O-N 2.99Å; I716-K718 VanDerWaalsContact C-N 3.34Å; I716-K718 PolarHBondContact O-N 3.43Å; I716-F719 WeakPolarHBondContact O-CB 3.46Å; I716-F719 PolarHBondContact O-N 2.93Å; I716-M720 HydrophobicContact CG2-CG 4.17Å; I716-M720 WeakPolarHBondContact O-CB 3.48Å; I716-M720 WeakPolarHBondContact O-CG 3.19Å; I716-M720 PolarHBondContact O-N 3.2Å |
| 717 | D | 92.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.8 | -38.4 | -179 | -71.4 | -20 | 0 | 0 | 0 | 112 | Y97 I98 M101 Q641 K713 F719 M720 L721 | Y97-D717 HydrophobicContact CE1-CB 3.89Å; Y97-D717 VanDerWaalsContact CE1-OD2 3.27Å; Y97-D717 WeakPolarHBondContact CE1-OD2 3.42Å; Y97-D717 PolarHBondContact OH-OD2 2.86Å; I98-D717 HydrophobicContact CD1-CB 4.35Å; M101-D717 HydrophobicContact CE-CB 4.43Å; M101-D717 WeakPolarHBondContact CE-OD2 3.3Å; Q641-D717 PolarHBondContact NE2-OD1 2.79Å; Q641-D717 PolarHBondContact OE1-OD1 2.97Å; K713-D717 WeakPolarHBondContact CE-OD2 3.16Å; K713-D717 WeakPolarHBondContact CG-OD2 3.44Å; K713-D717 IonicContact NZ-OD1 3.16Å; K713-D717 PolarHBondContact NZ-OD1 2.83Å; K713-D717 IonicContact NZ-OD2 3.82Å; K713-D717 PolarHBondContact NZ-OD2 2.9Å; K713-D717 VanDerWaalsContact O-CB 3.3Å; K713-D717 WeakPolarHBondContact O-CB 3.19Å; K713-D717 PolarHBondContact O-N 3.26Å; D717-F719 VanDerWaalsContact C-N 3.32Å; D717-F719 PolarHBondContact O-N 2.94Å; D717-M720 PolarHBondContact O-N 3.36Å; D717-L721 WeakPolarHBondContact O-CB 3.33Å; D717-L721 WeakPolarHBondContact O-CG 3.4Å; D717-L721 PolarHBondContact O-N 3.2Å |
| 718 | K | 89.4 | Confident | 85.7 | Confident | 18 Ų | 18 | 24.7 Ų | 24.7 | 8% | 0.078 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 175 | -173.1 | -168.8 | -175 | -161.2 | 0 | 110.4 | F78 L79 F86 I98 F714 I716 V722 | F78-K718 HydrophobicContact CE1-CD 4.4Å; F78-K718 HydrophobicContact CE2-CB 4.07Å; F78-K718 HydrophobicContact CE2-CD 3.9Å; F78-K718 HydrophobicContact CE2-CG 3.71Å; F78-K718 HydrophobicContact CZ-CB 3.73Å; F78-K718 HydrophobicContact CZ-CD 3.71Å; F78-K718 HydrophobicContact CZ-CG 3.75Å; F78-K718 PolarHBondContact O-NZ 3.06Å; L79-K718 PolarHBondContact O-NZ 2.96Å; F86-K718 HydrophobicContact CD2-CG 4.47Å; F86-K718 HydrophobicContact CE2-CG 3.87Å; F86-K718 HydrophobicContact CZ-CG 4.33Å; I98-K718 HydrophobicContact CD1-CB 3.98Å; F714-K718 HydrophobicContact CE1-CD 4.29Å; F714-K718 HydrophobicContact CZ-CD 4.1Å; F714-K718 WeakPolarHBondContact O-CB 3.44Å; F714-K718 PolarHBondContact O-N 3.48Å; I716-K718 VanDerWaalsContact C-N 3.34Å; I716-K718 PolarHBondContact O-N 3.43Å; K718-V722 WeakPolarHBondContact O-CG2 3.36Å; K718-V722 PolarHBondContact O-N 3.4Å |
| 719 | F | 83.9 | Confident | 84 | Confident | 26 Ų | 26 | 26.4 Ų | 26.4 | 11% | 0.114 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 176.1 | 171.2 | -96.4 | 0 | 0 | 0 | 111.5 | Y42 F74 F78 L715 I716 D717 V722 W723 I724 | Y42-F719 WeakPolarHBondContact OH-CE1 3.27Å; Y42-F719 WeakPolarHBondContact OH-CZ 3.39Å; F74-F719 AromaticContact CE1-CD2 3.9Å; F74-F719 HydrophobicContact CE1-CD2 3.9Å; F74-F719 AromaticContact CE1-CE2 3.69Å; F74-F719 HydrophobicContact CE1-CE2 3.69Å; F74-F719 AromaticContact CZ-CD2 3.85Å; F74-F719 HydrophobicContact CZ-CD2 3.85Å; F74-F719 AromaticContact CZ-CE2 3.55Å; F74-F719 HydrophobicContact CZ-CE2 3.55Å; F78-F719 VanDerWaalsContact CE2-CA 3.41Å; F78-F719 HydrophobicContact CE2-CB 3.9Å; F78-F719 HydrophobicContact CZ-CB 3.86Å; L715-F719 WeakPolarHBondContact O-CB 3.45Å; L715-F719 PolarHBondContact O-N 3.23Å; L715-F719 VanDerWaalsContact O-N 3.11Å; I716-F719 WeakPolarHBondContact O-CB 3.46Å; I716-F719 PolarHBondContact O-N 2.93Å; D717-F719 VanDerWaalsContact C-N 3.32Å; D717-F719 PolarHBondContact O-N 2.94Å; F719-V722 PolarHBondContact O-N 3.09Å; F719-W723 AromaticContact CD2-CD1 3.61Å; F719-W723 AromaticContact CE2-CD1 3.67Å; F719-W723 HydrophobicContact CE2-CG 4.41Å; F719-W723 PolarHBondContact O-N 3.39Å; F719-W723 VanDerWaalsContact O-N 3.14Å; F719-I724 HydrophobicContact CD1-CD1 4.31Å; F719-I724 HydrophobicContact CE1-CD1 3.69Å; F719-I724 HydrophobicContact CZ-CD1 4.48Å |
| 720 | M | 86 | Confident | 82 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | -179.5 | -71.7 | -74.5 | 152.3 | 0 | 0 | 112.8 | I642 R644 I716 D717 V722 I724 Y725 | I642-M720 HydrophobicContact CB-CE 4.39Å; I642-M720 HydrophobicContact CG2-CE 4.48Å; R644-M720 HydrophobicContact CG-SD 4.44Å; I716-M720 HydrophobicContact CG2-CG 4.17Å; I716-M720 WeakPolarHBondContact O-CB 3.48Å; I716-M720 WeakPolarHBondContact O-CG 3.19Å; I716-M720 PolarHBondContact O-N 3.2Å; D717-M720 PolarHBondContact O-N 3.36Å; M720-V722 VanDerWaalsContact C-N 3.32Å; M720-V722 PolarHBondContact O-N 3.03Å; M720-I724 HydrophobicContact CE-CD1 3.51Å; M720-I724 WeakPolarHBondContact O-CA 3.48Å; M720-I724 WeakPolarHBondContact O-CB 3.34Å; M720-I724 PolarHBondContact O-N 3.25Å; M720-I724 HydrophobicContact SD-CB 4.16Å; M720-I724 HydrophobicContact SD-CD1 3.25Å; M720-I724 WeakPolarHBondContact SD-CD1 3.4Å; M720-I724 HydrophobicContact SD-CG1 4.27Å; M720-I724 HydrophobicContact SD-CG2 4.18Å; M720-Y725 HydrophobicContact CB-CD2 3.8Å; M720-Y725 HydrophobicContact CB-CE2 3.79Å; M720-Y725 HydrophobicContact CG-CE2 4.29Å; M720-Y725 PolarHBondContact O-N 3.36Å; M720-Y725 HydrophobicContact SD-CE2 4.05Å |
| 721 | L | 86 | Confident | 80.1 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.6 | -33.8 | 179 | -78.8 | 167.5 | 0 | 0 | 0 | 113 | K56 F86 A90 Y97 I98 F676 F678 D717 | K56-L721 PolarHBondContact NZ-O 3.31Å; F86-L721 HydrophobicContact CE2-CB 4.32Å; F86-L721 HydrophobicContact CZ-CB 4.27Å; F86-L721 HydrophobicContact CZ-CD1 4.25Å; A90-L721 HydrophobicContact CB-CB 3.96Å; Y97-L721 HydrophobicContact CD1-CD1 4.11Å; I98-L721 HydrophobicContact CD1-CD1 4.06Å; I98-L721 HydrophobicContact CG1-CD1 3.98Å; F676-L721 HydrophobicContact CB-CD2 3.81Å; F676-L721 HydrophobicContact CD1-CD2 3.93Å; F676-L721 HydrophobicContact CD2-CD2 3.94Å; F676-L721 HydrophobicContact CD2-CG 4.32Å; F676-L721 HydrophobicContact CE1-CD2 4.44Å; F676-L721 HydrophobicContact CE2-CD2 4.46Å; F676-L721 HydrophobicContact CE2-CG 4.44Å; F676-L721 HydrophobicContact CG-CD2 3.64Å; F676-L721 HydrophobicContact CG-CG 4.45Å; F678-L721 HydrophobicContact CZ-CD2 4.34Å; D717-L721 WeakPolarHBondContact O-CB 3.33Å; D717-L721 WeakPolarHBondContact O-CG 3.4Å; D717-L721 PolarHBondContact O-N 3.2Å |
| 722 | V | 79 | Confident | 78.3 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -73.7 | -49.3 | 178.6 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | K56 I81 F86 K718 F719 M720 | K56-V722 VanDerWaalsContact CD-O 3.27Å; K56-V722 WeakPolarHBondContact CD-O 3.25Å; K56-V722 PolarHBondContact NZ-O 3.43Å; I81-V722 HydrophobicContact CD1-CG1 4.17Å; I81-V722 HydrophobicContact CD1-CG2 4.19Å; F86-V722 HydrophobicContact CD2-CG2 3.41Å; F86-V722 VanDerWaalsContact CD2-CG2 3.41Å; F86-V722 HydrophobicContact CE2-CG2 3.48Å; F86-V722 VanDerWaalsContact CE2-CG2 3.48Å; K718-V722 WeakPolarHBondContact O-CG2 3.36Å; K718-V722 PolarHBondContact O-N 3.4Å; F719-V722 PolarHBondContact O-N 3.09Å; M720-V722 VanDerWaalsContact C-N 3.32Å; M720-V722 PolarHBondContact O-N 3.03Å |
| 723 | W | 74.5 | Confident | 76.5 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -108.9 | -22.4 | -160.6 | -60.4 | 115.7 | 0 | 0 | 0 | 114.9 | V54 F59 Y62 F74 Y77 F719 | V54-W723 HydrophobicContact CG1-CB 4.37Å; V54-W723 WeakPolarHBondContact CG1-O 3.43Å; F59-W723 HydrophobicContact CB-CD2 4.31Å; F59-W723 HydrophobicContact CB-CE3 3.4Å; F59-W723 HydrophobicContact CB-CZ3 3.71Å; F59-W723 AromaticContact CD2-CD2 3.35Å; F59-W723 HydrophobicContact CD2-CD2 3.35Å; F59-W723 AromaticContact CD2-CE2 3.82Å; F59-W723 AromaticContact CD2-CE3 3.03Å; F59-W723 HydrophobicContact CD2-CE3 3.03Å; F59-W723 HydrophobicContact CD2-CG 4.12Å; F59-W723 AromaticContact CD2-CH2 3.47Å; F59-W723 HydrophobicContact CD2-CH2 3.47Å; F59-W723 VanDerWaalsContact CD2-CH2 3.47Å; F59-W723 AromaticContact CD2-CZ2 3.88Å; F59-W723 HydrophobicContact CD2-CZ2 3.88Å; F59-W723 AromaticContact CD2-CZ3 3.1Å; F59-W723 HydrophobicContact CD2-CZ3 3.1Å; F59-W723 AromaticContact CE2-CD2 3.66Å; F59-W723 HydrophobicContact CE2-CD2 3.66Å; F59-W723 AromaticContact CE2-CE2 3.79Å; F59-W723 AromaticContact CE2-CE3 3.85Å; F59-W723 HydrophobicContact CE2-CE3 3.85Å; F59-W723 HydrophobicContact CE2-CG 4.18Å; F59-W723 AromaticContact CE2-CH2 3.96Å; F59-W723 HydrophobicContact CE2-CH2 3.96Å; F59-W723 AromaticContact CE2-CZ2 3.94Å; F59-W723 HydrophobicContact CE2-CZ2 3.94Å; F59-W723 AromaticContact CE2-CZ3 3.99Å; F59-W723 HydrophobicContact CE2-CZ3 3.99Å; F59-W723 HydrophobicContact CG-CB 4.46Å; F59-W723 AromaticContact CG-CD2 3.93Å; F59-W723 HydrophobicContact CG-CD2 3.93Å; F59-W723 AromaticContact CG-CE3 3.44Å; F59-W723 HydrophobicContact CG-CE3 3.44Å; F59-W723 VanDerWaalsContact CG-CE3 3.44Å; F59-W723 HydrophobicContact CG-CG 4.45Å; F59-W723 AromaticContact CG-CZ3 3.79Å; F59-W723 HydrophobicContact CG-CZ3 3.79Å; Y62-W723 AromaticContact CD1-CH2 3.97Å; Y62-W723 HydrophobicContact CD1-CH2 3.97Å; Y62-W723 HydrophobicContact CD2-CH2 4.47Å; Y62-W723 HydrophobicContact CE1-CH2 4.46Å; Y62-W723 AromaticContact CG-CH2 3.98Å; Y62-W723 HydrophobicContact CG-CH2 3.98Å; F74-W723 AromaticContact CE2-CE2 3.63Å; F74-W723 AromaticContact CE2-CZ2 3.57Å; F74-W723 HydrophobicContact CE2-CZ2 3.57Å; F74-W723 AromaticContact CE2-NE1 3.52Å; F74-W723 AromaticContact CZ-CD1 3.88Å; F74-W723 AromaticContact CZ-CE2 3.89Å; F74-W723 HydrophobicContact CZ-CZ2 4.28Å; F74-W723 AromaticContact CZ-NE1 3.29Å; F74-W723 VanDerWaalsContact CZ-NE1 3.29Å; Y77-W723 HydrophobicContact CE1-CZ2 4.5Å; F719-W723 AromaticContact CD2-CD1 3.61Å; F719-W723 AromaticContact CE2-CD1 3.67Å; F719-W723 HydrophobicContact CE2-CG 4.41Å; F719-W723 PolarHBondContact O-N 3.39Å; F719-W723 VanDerWaalsContact O-N 3.14Å |
| 724 | I | 77.4 | Confident | 74.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -51.1 | -168.5 | -73.3 | 164.4 | 0 | 0 | 0 | 111.9 | V54 P55 F719 M720 | V54-I724 HydrophobicContact CG1-CG1 4.3Å; P55-I724 WeakPolarHBondContact CG-O 3.4Å; F719-I724 HydrophobicContact CD1-CD1 4.31Å; F719-I724 HydrophobicContact CE1-CD1 3.69Å; F719-I724 HydrophobicContact CZ-CD1 4.48Å; M720-I724 HydrophobicContact CE-CD1 3.51Å; M720-I724 WeakPolarHBondContact O-CA 3.48Å; M720-I724 WeakPolarHBondContact O-CB 3.34Å; M720-I724 PolarHBondContact O-N 3.25Å; M720-I724 HydrophobicContact SD-CB 4.16Å; M720-I724 HydrophobicContact SD-CD1 3.25Å; M720-I724 WeakPolarHBondContact SD-CD1 3.4Å; M720-I724 HydrophobicContact SD-CG1 4.27Å; M720-I724 HydrophobicContact SD-CG2 4.18Å |
| 725 | Y | 81.7 | Confident | 73 | Confident | 34 Ų | 34 | 36.1 Ų | 36.1 | 13% | 0.133 | 19% | 0.194 | C | C | . | . | trans | -92.1 | 140.3 | -176 | -66.5 | -77 | 0 | 0 | 0 | 111.4 | K56 E674 F676 M720 | K56-Y725 WeakPolarHBondContact CE-O 3.35Å; K56-Y725 PolarHBondContact NZ-O 2.05Å; E674-Y725 HydrophobicContact CB-CD1 4.44Å; E674-Y725 HydrophobicContact CB-CE1 4.49Å; E674-Y725 WeakPolarHBondContact O-CA 2.83Å; E674-Y725 WeakPolarHBondContact O-CD1 3.34Å; F676-Y725 HydrophobicContact CB-CD1 4.29Å; F676-Y725 HydrophobicContact CB-CD2 4.43Å; F676-Y725 HydrophobicContact CB-CG 3.96Å; F676-Y725 AromaticContact CD2-CD2 3.64Å; F676-Y725 HydrophobicContact CD2-CD2 3.64Å; F676-Y725 AromaticContact CD2-CE2 3.86Å; F676-Y725 HydrophobicContact CD2-CE2 3.86Å; F676-Y725 HydrophobicContact CD2-CG 4.02Å; F676-Y725 HydrophobicContact CE2-CD2 4.47Å; F676-Y725 HydrophobicContact CE2-CE2 4.43Å; M720-Y725 HydrophobicContact CB-CD2 3.8Å; M720-Y725 HydrophobicContact CB-CE2 3.79Å; M720-Y725 HydrophobicContact CG-CE2 4.29Å; M720-Y725 PolarHBondContact O-N 3.36Å; M720-Y725 HydrophobicContact SD-CE2 4.05Å | ||
| 726 | D | 75.3 | Confident | 71.5 | Confident | 36 Ų | 36 | 36.7 Ų | 36.7 | 19% | 0.193 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -82.6 | 151.4 | 168.9 | -86.8 | -7.3 | 0 | 0 | 0 | 110.9 | K56 P673 E674 L728 | K56-D726 WeakPolarHBondContact CE-OD1 3.32Å; K56-D726 WeakPolarHBondContact CG-OD1 3.38Å; P673-D726 HydrophobicContact CB-CB 4.04Å; P673-D726 VanDerWaalsContact CB-CG 3.45Å; P673-D726 WeakPolarHBondContact CB-OD2 3.43Å; P673-D726 WeakPolarHBondContact CG-OD2 3.49Å; E674-D726 PolarHBondContact O-N 3.41Å; E674-D726 VanDerWaalsContact O-N 3.11Å; D726-L728 PolarHBondContact O-N 3.44Å; D726-L728 VanDerWaalsContact O-N 3.14Å |
| 727 | P | 67.8 | Low | 70.2 | Confident | 27 Ų | 27 | 43.9 Ų | 43.9 | 18% | 0.175 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -59.6 | -24.5 | 179.5 | 24.2 | -33.5 | 0 | 0 | 0 | 112.5 | Y743 | P727-Y743 HydrophobicContact CB-CD1 4.48Å; P727-Y743 WeakPolarHBondContact O-CE1 3.45Å |
| 728 | L | 63 | Low | 68.8 | Low | 26 Ų | 26 | 48.8 Ų | 48.8 | 14% | 0.136 | 26% | 0.258 | C | S | . | . | trans | -152.9 | 149.9 | 173.6 | -167.4 | 61.2 | 0 | 0 | 0 | 113.3 | D726 Y743 | D726-L728 PolarHBondContact O-N 3.44Å; D726-L728 VanDerWaalsContact O-N 3.14Å; L728-Y743 HydrophobicContact CB-CD1 3.46Å; L728-Y743 VanDerWaalsContact CB-CD1 3.46Å; L728-Y743 HydrophobicContact CB-CD2 4.01Å; L728-Y743 HydrophobicContact CB-CE1 3.42Å; L728-Y743 VanDerWaalsContact CB-CE1 3.42Å; L728-Y743 HydrophobicContact CB-CE2 3.95Å; L728-Y743 HydrophobicContact CB-CG 3.75Å; L728-Y743 HydrophobicContact CD1-CD2 4.31Å; L728-Y743 HydrophobicContact CD1-CE1 3.88Å; L728-Y743 HydrophobicContact CD1-CE2 3.48Å; L728-Y743 VanDerWaalsContact CD1-CE2 3.48Å; L728-Y743 WeakPolarHBondContact CD1-OH 3.47Å; L728-Y743 HydrophobicContact CD2-CD1 4.2Å; L728-Y743 HydrophobicContact CD2-CD2 3.07Å; L728-Y743 HydrophobicContact CD2-CE1 4.23Å; L728-Y743 HydrophobicContact CD2-CE2 3.07Å; L728-Y743 HydrophobicContact CD2-CG 3.65Å; L728-Y743 HydrophobicContact CG-CD1 4.17Å; L728-Y743 HydrophobicContact CG-CD2 3.84Å; L728-Y743 HydrophobicContact CG-CE1 3.91Å; L728-Y743 HydrophobicContact CG-CE2 3.52Å; L728-Y743 HydrophobicContact CG-CG 4.13Å | ||
| 729 | Q | 60.2 | Low | 67.5 | Low | 84 Ų | 84 | 50.4 Ų | 50.4 | 39% | 0.393 | 27% | 0.268 | S | S | . | . | trans | -100.3 | 125.3 | 160.6 | -175 | 67.9 | 34.2 | 0 | 0 | 110 | P673 A675 | P673-Q729 PolarHBondContact O-OE1 3.45Å; P673-Q729 VanDerWaalsContact O-OE1 3.09Å; A675-Q729 HydrophobicContact CB-CB 3.64Å | ||
| 730 | S | 56.1 | Low | 66.4 | Low | 40 Ų | 40 | 55 Ų | 55 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | trans | -88.7 | 140.7 | 169.2 | 61.7 | 0 | 0 | 0 | 0 | 111 | I732 | S730-I732 VanDerWaalsContact C-N 3.29Å; S730-I732 PolarHBondContact OG-O 2.86Å | ||
| 731 | D | 56.4 | Low | 65.3 | Low | 66 Ų | 66 | 58.5 Ų | 58.5 | 35% | 0.353 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -78.4 | -18.3 | 170.5 | -69.2 | -7.4 | 0 | 0 | 0 | 111.8 | L467 | L467-D731 VanDerWaalsContact CD2-OD2 3.24Å; L467-D731 WeakPolarHBondContact CD2-OD2 3.26Å |
| 732 | I | 55.7 | Low | 64.1 | Low | 62 Ų | 62 | 63 Ų | 63 | 32% | 0.318 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -94.4 | 133.1 | 178.1 | -68.8 | 163 | 0 | 0 | 0 | 108.4 | W468 S730 W735 | W468-I732 HydrophobicContact CB-CD1 4.41Å; W468-I732 HydrophobicContact CD2-CD1 4.34Å; W468-I732 HydrophobicContact CG-CD1 3.78Å; W468-I732 HydrophobicContact CG-CG1 4.43Å; S730-I732 VanDerWaalsContact C-N 3.29Å; S730-I732 PolarHBondContact OG-O 2.86Å; I732-W735 VanDerWaalsContact CB-NE1 3.28Å; I732-W735 PolarHBondContact O-NE1 3.26Å |
| 733 | Y | 56.2 | Low | 63.3 | Low | 125 Ų | 125 | 63.6 Ų | 63.6 | 49% | 0.49 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -78.7 | 149.8 | 170.4 | -78.5 | -80 | 0 | 0 | 0 | 111.4 | Q301 E305 | Q301-Y733 HydrophobicContact CG-CD2 3.98Å; Q301-Y733 HydrophobicContact CG-CE2 3.68Å; E305-Y733 HydrophobicContact CG-CE2 4.47Å; E305-Y733 PolarHBondContact OE1-OH 2.84Å |
| 734 | G | 54.7 | Low | 62.7 | Low | 75 Ų | 75 | 65.5 Ų | 65.5 | 77% | 0.773 | 34% | 0.338 | S | S | * | . | trans | 93.4 | 16.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | T736 | G734-T736 PolarHBondContact O-N 3.32Š| ||
| 735 | W | 56.7 | Low | 62 | Low | 59 Ų | 59 | 66.1 Ų | 66.1 | 22% | 0.223 | 34% | 0.341 | C | S | . | . | trans | -60.1 | 132.5 | 179.2 | -78.9 | 53.7 | 0 | 0 | 0 | 111.9 | I732 D739 | I732-W735 VanDerWaalsContact CB-NE1 3.28Å; I732-W735 PolarHBondContact O-NE1 3.26Å; W735-D739 HydrophobicContact CD2-CB 4.01Å; W735-D739 HydrophobicContact CE3-CB 3.18Å; W735-D739 HydrophobicContact CZ3-CB 3.55Å | ||
| 736 | T | 59.2 | Low | 61.4 | Low | 67 Ų | 67 | 65.1 Ų | 65.1 | 41% | 0.411 | 34% | 0.338 | S | S | . | . | trans | -78.5 | 163.1 | 176.8 | 69.5 | 0 | 0 | 0 | 0 | 111 | G734 I738 D739 K740 | G734-T736 PolarHBondContact O-N 3.32Å; T736-I738 PolarHBondContact O-N 2.93Å; T736-D739 WeakPolarHBondContact CB-OD2 2.85Å; T736-D739 PolarHBondContact N-OD2 3.45Å; T736-D739 PolarHBondContact O-N 3.3Å; T736-D739 VanDerWaalsContact O-N 3.15Å; T736-D739 VanDerWaalsContact OG1-CG 3.26Å; T736-D739 PolarHBondContact OG1-N 2.99Å; T736-D739 PolarHBondContact OG1-OD2 2.86Å; T736-K740 PolarHBondContact O-N 3.49Å | ||
| 737 | E | 63.1 | Low | 61.1 | Low | 170 Ų | 170 | 63.5 Ų | 63.5 | 79% | 0.794 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59.2 | -29.2 | 173.1 | -71.9 | -173.1 | 165 | 0 | 0 | 112.8 | K740 K741 | E737-K740 PolarHBondContact O-N 3.2Å; E737-K741 PolarHBondContact O-N 2.9Å |
| 738 | I | 61.7 | Low | 61.4 | Low | 104 Ų | 104 | 62.3 Ų | 62.3 | 53% | 0.533 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 177.2 | -60.4 | 164.4 | 0 | 0 | 0 | 110 | T736 K740 K741 N742 | T736-I738 PolarHBondContact O-N 2.93Å; I738-K740 VanDerWaalsContact C-N 3.34Å; I738-K740 PolarHBondContact O-N 3.02Å; I738-K741 WeakPolarHBondContact O-CB 3.4Å; I738-K741 PolarHBondContact O-N 3.06Å; I738-K741 VanDerWaalsContact O-N 3.16Å; I738-N742 PolarHBondContact O-N 2.99Å |
| 739 | D | 62.3 | Low | 62 | Low | 51 Ų | 51 | 61.5 Ų | 61.5 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 179.4 | -54.2 | -50.2 | 0 | 0 | 0 | 111.6 | W735 T736 K741 N742 Y743 | W735-D739 HydrophobicContact CD2-CB 4.01Å; W735-D739 HydrophobicContact CE3-CB 3.18Å; W735-D739 HydrophobicContact CZ3-CB 3.55Å; T736-D739 WeakPolarHBondContact CB-OD2 2.85Å; T736-D739 PolarHBondContact N-OD2 3.45Å; T736-D739 PolarHBondContact O-N 3.3Å; T736-D739 VanDerWaalsContact O-N 3.15Å; T736-D739 VanDerWaalsContact OG1-CG 3.26Å; T736-D739 PolarHBondContact OG1-N 2.99Å; T736-D739 PolarHBondContact OG1-OD2 2.86Å; D739-K741 VanDerWaalsContact C-N 3.31Å; D739-K741 PolarHBondContact O-N 3.24Å; D739-N742 PolarHBondContact O-N 2.83Å; D739-Y743 PolarHBondContact O-N 2.85Å |
| 740 | K | 62.5 | Low | 62.7 | Low | 122 Ų | 122 | 59.3 Ų | 59.3 | 53% | 0.53 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 171.4 | -67 | -176.8 | -178.4 | -177.3 | 0 | 111.7 | T736 E737 I738 Y743 Q744 | T736-K740 PolarHBondContact O-N 3.49Å; E737-K740 PolarHBondContact O-N 3.2Å; I738-K740 VanDerWaalsContact C-N 3.34Å; I738-K740 PolarHBondContact O-N 3.02Å; K740-Y743 PolarHBondContact O-N 2.87Å; K740-Q744 PolarHBondContact O-N 3.25Å |
| 741 | K | 62.2 | Low | 63.9 | Low | 74 Ų | 74 | 57.8 Ų | 57.8 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 177 | -171.2 | 173.4 | -177.5 | 177 | 0 | 111.3 | E737 I738 D739 Y743 Q744 Y745 | E737-K741 PolarHBondContact O-N 2.9Å; I738-K741 WeakPolarHBondContact O-CB 3.4Å; I738-K741 PolarHBondContact O-N 3.06Å; I738-K741 VanDerWaalsContact O-N 3.16Å; D739-K741 VanDerWaalsContact C-N 3.31Å; D739-K741 PolarHBondContact O-N 3.24Å; K741-Y743 PolarHBondContact O-N 3.43Å; K741-Q744 PolarHBondContact O-N 3.43Å; K741-Q744 VanDerWaalsContact O-N 3.11Å; K741-Y745 HydrophobicContact CG-CE2 4.15Å; K741-Y745 WeakPolarHBondContact O-CD2 2.94Å; K741-Y745 VanDerWaalsContact O-CE2 3.3Å; K741-Y745 WeakPolarHBondContact O-CE2 3.32Å |
| 742 | N | 61 | Low | 65.3 | Low | 97 Ų | 97 | 54.7 Ų | 54.7 | 52% | 0.519 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.5 | -35.7 | 176.1 | -72.9 | -19.5 | 0 | 0 | 0 | 112 | I738 D739 Q744 | I738-N742 PolarHBondContact O-N 2.99Å; D739-N742 PolarHBondContact O-N 2.83Å; N742-Q744 PolarHBondContact O-N 3.03Å |
| 743 | Y | 61.6 | Low | 66.5 | Low | 14 Ų | 14 | 52 Ų | 52 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.2 | -33.4 | 178.3 | -166.2 | -89 | 0 | 0 | 0 | 114.1 | P727 L728 D739 K740 K741 Y745 I746 | P727-Y743 HydrophobicContact CB-CD1 4.48Å; P727-Y743 WeakPolarHBondContact O-CE1 3.45Å; L728-Y743 HydrophobicContact CB-CD1 3.46Å; L728-Y743 VanDerWaalsContact CB-CD1 3.46Å; L728-Y743 HydrophobicContact CB-CD2 4.01Å; L728-Y743 HydrophobicContact CB-CE1 3.42Å; L728-Y743 VanDerWaalsContact CB-CE1 3.42Å; L728-Y743 HydrophobicContact CB-CE2 3.95Å; L728-Y743 HydrophobicContact CB-CG 3.75Å; L728-Y743 HydrophobicContact CD1-CD2 4.31Å; L728-Y743 HydrophobicContact CD1-CE1 3.88Å; L728-Y743 HydrophobicContact CD1-CE2 3.48Å; L728-Y743 VanDerWaalsContact CD1-CE2 3.48Å; L728-Y743 WeakPolarHBondContact CD1-OH 3.47Å; L728-Y743 HydrophobicContact CD2-CD1 4.2Å; L728-Y743 HydrophobicContact CD2-CD2 3.07Å; L728-Y743 HydrophobicContact CD2-CE1 4.23Å; L728-Y743 HydrophobicContact CD2-CE2 3.07Å; L728-Y743 HydrophobicContact CD2-CG 3.65Å; L728-Y743 HydrophobicContact CG-CD1 4.17Å; L728-Y743 HydrophobicContact CG-CD2 3.84Å; L728-Y743 HydrophobicContact CG-CE1 3.91Å; L728-Y743 HydrophobicContact CG-CE2 3.52Å; L728-Y743 HydrophobicContact CG-CG 4.13Å; D739-Y743 PolarHBondContact O-N 2.85Å; K740-Y743 PolarHBondContact O-N 2.87Å; K741-Y743 PolarHBondContact O-N 3.43Å; Y743-Y745 PolarHBondContact O-N 3.49Å; Y743-I746 HydrophobicContact CD2-CD1 3.6Å; Y743-I746 HydrophobicContact CD2-CG1 4.36Å; Y743-I746 HydrophobicContact CE2-CB 4.4Å; Y743-I746 HydrophobicContact CE2-CD1 3.72Å; Y743-I746 HydrophobicContact CG-CD1 4.41Å; Y743-I746 WeakPolarHBondContact O-CB 3.31Å; Y743-I746 PolarHBondContact O-N 3.02Å |
| 744 | Q | 63 | Low | 68 | Low | 43 Ų | 43 | 47 Ų | 47 | 20% | 0.201 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.5 | -25.3 | -176.9 | -70 | 180 | -4.6 | 0 | 0 | 112.4 | K88 L92 W186 K740 K741 N742 | K88-Q744 PolarHBondContact O-NE2 3.23Å; L92-Q744 WeakPolarHBondContact CD1-O 3.47Å; L92-Q744 VanDerWaalsContact CG-O 3.29Å; L92-Q744 WeakPolarHBondContact CG-O 3.35Å; W186-Q744 HydrophobicContact CH2-CB 3.99Å; W186-Q744 VanDerWaalsContact CH2-O 3.25Å; W186-Q744 WeakPolarHBondContact CH2-O 3.44Å; W186-Q744 HydrophobicContact CZ2-CB 4.23Å; K740-Q744 PolarHBondContact O-N 3.25Å; K741-Q744 PolarHBondContact O-N 3.43Å; K741-Q744 VanDerWaalsContact O-N 3.11Å; N742-Q744 PolarHBondContact O-N 3.03Å |
| 745 | Y | 62.3 | Low | 69.7 | Low | 12 Ų | 12 | 43.4 Ų | 43.4 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -4.1 | 178.9 | -60 | -98.4 | 0 | 0 | 0 | 114.6 | L92 W186 E242 R245 I246 N247 K741 Y743 | L92-Y745 WeakPolarHBondContact CD1-O 3.44Å; W186-Y745 HydrophobicContact CD2-CE1 4.32Å; W186-Y745 AromaticContact CE3-CD1 3.62Å; W186-Y745 HydrophobicContact CE3-CD1 3.62Å; W186-Y745 HydrophobicContact CE3-CD2 4.46Å; W186-Y745 AromaticContact CE3-CE1 3.11Å; W186-Y745 HydrophobicContact CE3-CE1 3.11Å; W186-Y745 HydrophobicContact CE3-CE2 4.01Å; W186-Y745 HydrophobicContact CE3-CG 4.25Å; W186-Y745 AromaticContact CE3-CZ 3.3Å; W186-Y745 AromaticContact CZ3-CD1 3.31Å; W186-Y745 HydrophobicContact CZ3-CD1 3.31Å; W186-Y745 HydrophobicContact CZ3-CD2 4.09Å; W186-Y745 AromaticContact CZ3-CE1 3.38Å; W186-Y745 HydrophobicContact CZ3-CE1 3.38Å; W186-Y745 HydrophobicContact CZ3-CE2 4.09Å; W186-Y745 AromaticContact CZ3-CG 3.67Å; W186-Y745 HydrophobicContact CZ3-CG 3.67Å; W186-Y745 AromaticContact CZ3-CZ 3.75Å; E242-Y745 PolarHBondContact OE1-OH 3.43Å; R245-Y745 HydrophobicContact CB-CD1 3.68Å; R245-Y745 HydrophobicContact CB-CE1 3.89Å; R245-Y745 HydrophobicContact CB-CG 4.41Å; I246-Y745 HydrophobicContact CG1-CD1 4.35Å; N247-Y745 PolarHBondContact N-O 2.99Å; K741-Y745 HydrophobicContact CG-CE2 4.15Å; K741-Y745 WeakPolarHBondContact O-CD2 2.94Å; K741-Y745 VanDerWaalsContact O-CE2 3.3Å; K741-Y745 WeakPolarHBondContact O-CE2 3.32Å; Y743-Y745 PolarHBondContact O-N 3.49Å |
| 746 | I | 67.7 | Low | 71.1 | Confident | 14 Ų | 14 | 40.6 Ų | 40.6 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | trans | -81.8 | 124.7 | 179.3 | -62.4 | -174.7 | 0 | 0 | 0 | 109.9 | T426 P462 S464 Y743 | T426-I746 HydrophobicContact CG2-CG2 3.34Å; P462-I746 HydrophobicContact CB-CD1 3.73Å; P462-I746 HydrophobicContact CG-CD1 3.94Å; S464-I746 VanDerWaalsContact OG-CD1 3.24Å; S464-I746 WeakPolarHBondContact OG-CD1 3.02Å; Y743-I746 HydrophobicContact CD2-CD1 3.6Å; Y743-I746 HydrophobicContact CD2-CG1 4.36Å; Y743-I746 HydrophobicContact CE2-CB 4.4Å; Y743-I746 HydrophobicContact CE2-CD1 3.72Å; Y743-I746 HydrophobicContact CG-CD1 4.41Å; Y743-I746 WeakPolarHBondContact O-CB 3.31Å; Y743-I746 PolarHBondContact O-N 3.02Å | ||
| 747 | Y | 69.2 | Low | 72.4 | Confident | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | trans | -127.2 | 114.8 | 175 | 172.6 | -135 | 0 | 0 | 0 | 112.1 | D93 A96 A173 W176 P177 N247 H428 L749 | D93-Y747 WeakPolarHBondContact OD1-CA 3.37Å; D93-Y747 WeakPolarHBondContact OD1-CD2 3.35Å; A96-Y747 HydrophobicContact CB-CD2 3.92Å; A96-Y747 HydrophobicContact CB-CE2 3.24Å; A173-Y747 PolarHBondContact O-OH 2.84Å; W176-Y747 AromaticContact CE2-CE1 4Å; W176-Y747 AromaticContact CE2-CZ 3.9Å; W176-Y747 HydrophobicContact CZ2-CD1 4.12Å; W176-Y747 AromaticContact CZ2-CD2 3.93Å; W176-Y747 HydrophobicContact CZ2-CD2 3.93Å; W176-Y747 AromaticContact CZ2-CE1 3.99Å; W176-Y747 HydrophobicContact CZ2-CE1 3.99Å; W176-Y747 AromaticContact CZ2-CE2 3.86Å; W176-Y747 HydrophobicContact CZ2-CE2 3.86Å; W176-Y747 HydrophobicContact CZ2-CG 4.09Å; W176-Y747 AromaticContact CZ2-CZ 3.85Å; W176-Y747 AromaticContact NE1-CE1 3.45Å; W176-Y747 AromaticContact NE1-CZ 3.32Å; W176-Y747 VanDerWaalsContact NE1-CZ 3.32Å; W176-Y747 PolarHBondContact NE1-OH 3.06Å; W176-Y747 VanDerWaalsContact NE1-OH 3.13Å; P177-Y747 HydrophobicContact CG-CD1 4.48Å; N247-Y747 PolarHBondContact ND2-O 2.83Å; N247-Y747 PolarHBondContact OD1-N 3.01Å; H428-Y747 AromaticContact CD2-CD1 3.6Å; H428-Y747 AromaticContact CD2-CE1 3.56Å; Y747-L749 VanDerWaalsContact C-N 3.32Å; Y747-L749 HydrophobicContact CD1-CB 4.21Å; Y747-L749 HydrophobicContact CE1-CB 3.75Å; Y747-L749 HydrophobicContact CE1-CD1 3.85Å; Y747-L749 HydrophobicContact CE1-CG 4.35Å; Y747-L749 PolarHBondContact O-N 2.8Å; Y747-L749 WeakPolarHBondContact OH-CD1 3.46Å | ||
| 748 | H | 75.3 | Confident | 73.8 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | trans | -83.1 | 71.1 | 175.2 | -64.8 | 92 | 0 | 0 | 0 | 111.7 | D93 T426 D465 G559 K750 W751 | D93-H748 PolarHBondContact OD1-N 2.99Å; D93-H748 IonicContact OD1-ND1 2.94Å; D93-H748 IonicContact OD2-CE1 3.32Å; D93-H748 IonicContact OD2-CG 3.88Å; D93-H748 IonicContact OD2-ND1 3.55Å; D93-H748 PolarHBondContact OD2-ND1 2.81Å; T426-H748 WeakPolarHBondContact CG2-CD2 3.31Å; T426-H748 WeakPolarHBondContact CG2-NE2 3.31Å; D465-H748 IonicContact OD1-NE2 3.99Å; D465-H748 IonicContact OD2-NE2 3.92Å; G559-H748 VanDerWaalsContact CA-CD2 3.44Å; G559-H748 WeakPolarHBondContact CA-CD2 3.32Å; G559-H748 VanDerWaalsContact CA-NE2 3.26Å; G559-H748 WeakPolarHBondContact CA-NE2 3.43Å; H748-K750 PolarHBondContact O-N 2.91Å; H748-W751 HydrophobicContact CB-CD2 3.49Å; H748-W751 VanDerWaalsContact CB-CD2 3.49Å; H748-W751 HydrophobicContact CB-CE3 3.68Å; H748-W751 HydrophobicContact CB-CG 4.02Å; H748-W751 HydrophobicContact CB-CH2 4.06Å; H748-W751 HydrophobicContact CB-CZ2 3.91Å; H748-W751 HydrophobicContact CB-CZ3 3.95Å; H748-W751 AromaticContact CD2-CZ2 3.95Å; H748-W751 AromaticContact CG-CE2 3.82Å; H748-W751 AromaticContact CG-CH2 3.8Å; H748-W751 AromaticContact CG-CZ2 3.65Å; H748-W751 AromaticContact ND1-CH2 3.57Å; H748-W751 AromaticContact ND1-CZ2 3.84Å; H748-W751 AromaticContact ND1-CZ3 3.96Å; H748-W751 PolarHBondContact O-N 2.8Å | ||
| 749 | L | 74.5 | Confident | 75.1 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -47 | -33.7 | 175.4 | 174.5 | 62.5 | 0 | 0 | 0 | 113.4 | A173 Y174 Y747 W751 F752 L753 L812 | A173-L749 HydrophobicContact CB-CD1 4.16Å; Y174-L749 HydrophobicContact CD1-CD2 3.8Å; Y174-L749 HydrophobicContact CE1-CD2 3.56Å; Y747-L749 VanDerWaalsContact C-N 3.32Å; Y747-L749 HydrophobicContact CD1-CB 4.21Å; Y747-L749 HydrophobicContact CE1-CB 3.75Å; Y747-L749 HydrophobicContact CE1-CD1 3.85Å; Y747-L749 HydrophobicContact CE1-CG 4.35Å; Y747-L749 PolarHBondContact O-N 2.8Å; Y747-L749 WeakPolarHBondContact OH-CD1 3.46Å; L749-W751 VanDerWaalsContact C-N 3.28Å; L749-W751 PolarHBondContact O-N 3.26Å; L749-F752 PolarHBondContact O-N 3.29Å; L749-L753 HydrophobicContact CD1-CD1 4.11Å; L749-L753 HydrophobicContact CD1-CD2 4.34Å; L749-L753 HydrophobicContact CD1-CG 3.93Å; L749-L753 HydrophobicContact CD2-CD1 4.15Å; L749-L753 HydrophobicContact CG-CD1 3.72Å; L749-L753 HydrophobicContact CG-CG 4.04Å; L749-L753 WeakPolarHBondContact O-CG 3.45Å; L749-L753 PolarHBondContact O-N 3.11Å; L749-L812 HydrophobicContact CD2-CD1 4.46Å |
| 750 | K | 74.7 | Confident | 76.6 | Confident | 38 Ų | 38 | 27.5 Ų | 27.5 | 17% | 0.165 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -53.8 | -41.6 | 178 | -173.3 | -176.3 | -178.1 | -171.5 | 0 | 113 | I423 N424 S563 H748 L753 Q754 | I423-K750 HydrophobicContact CG2-CB 4.48Å; I423-K750 HydrophobicContact CG2-CG 4.36Å; I423-K750 WeakPolarHBondContact O-CD 3.37Å; N424-K750 PolarHBondContact OD1-NZ 2.76Å; S563-K750 WeakPolarHBondContact OG-CD 3.17Å; S563-K750 WeakPolarHBondContact OG-CE 2.85Å; S563-K750 PolarHBondContact OG-NZ 3.33Å; S563-K750 VanDerWaalsContact OG-NZ 3.13Å; H748-K750 PolarHBondContact O-N 2.91Å; K750-L753 PolarHBondContact O-N 3.12Å; K750-Q754 WeakPolarHBondContact O-CB 3.21Å; K750-Q754 PolarHBondContact O-N 2.88Å |
| 751 | W | 82.8 | Confident | 78.1 | Confident | 9 Ų | 9 | 22.9 Ų | 22.9 | 3% | 0.034 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.6 | -44.5 | -178 | -57.3 | -18.2 | 0 | 0 | 0 | 111.1 | D93 G559 E562 F678 Y682 H748 L749 Q754 S755 | D93-W751 HydrophobicContact CB-CE3 4.47Å; D93-W751 HydrophobicContact CB-CZ3 3.87Å; D93-W751 WeakPolarHBondContact OD2-CZ3 3.31Å; G559-W751 PolarHBondContact O-NE1 3.12Å; G559-W751 VanDerWaalsContact O-NE1 3.08Å; E562-W751 HydrophobicContact CB-CH2 4.4Å; E562-W751 HydrophobicContact CB-CZ2 3.59Å; E562-W751 HydrophobicContact CG-CZ2 4.07Å; F678-W751 HydrophobicContact CB-CE3 3.86Å; F678-W751 HydrophobicContact CB-CH2 4.06Å; F678-W751 HydrophobicContact CB-CZ3 3.58Å; F678-W751 HydrophobicContact CD1-CE3 4.41Å; F678-W751 HydrophobicContact CD1-CZ3 4.12Å; F678-W751 HydrophobicContact CD2-CE3 4.49Å; F678-W751 AromaticContact CD2-CH2 3.91Å; F678-W751 HydrophobicContact CD2-CH2 3.91Å; F678-W751 AromaticContact CD2-CZ3 3.52Å; F678-W751 HydrophobicContact CD2-CZ3 3.52Å; F678-W751 HydrophobicContact CE2-CZ3 4.22Å; F678-W751 HydrophobicContact CG-CE3 4.02Å; F678-W751 HydrophobicContact CG-CH2 4.16Å; F678-W751 AromaticContact CG-CZ3 3.47Å; F678-W751 HydrophobicContact CG-CZ3 3.47Å; F678-W751 VanDerWaalsContact CG-CZ3 3.47Å; Y682-W751 HydrophobicContact CD2-CB 4.25Å; Y682-W751 HydrophobicContact CE2-CB 3.85Å; Y682-W751 HydrophobicContact CE2-CE3 4.23Å; H748-W751 HydrophobicContact CB-CD2 3.49Å; H748-W751 VanDerWaalsContact CB-CD2 3.49Å; H748-W751 HydrophobicContact CB-CE3 3.68Å; H748-W751 HydrophobicContact CB-CG 4.02Å; H748-W751 HydrophobicContact CB-CH2 4.06Å; H748-W751 HydrophobicContact CB-CZ2 3.91Å; H748-W751 HydrophobicContact CB-CZ3 3.95Å; H748-W751 AromaticContact CD2-CZ2 3.95Å; H748-W751 AromaticContact CG-CE2 3.82Å; H748-W751 AromaticContact CG-CH2 3.8Å; H748-W751 AromaticContact CG-CZ2 3.65Å; H748-W751 AromaticContact ND1-CH2 3.57Å; H748-W751 AromaticContact ND1-CZ2 3.84Å; H748-W751 AromaticContact ND1-CZ3 3.96Å; H748-W751 PolarHBondContact O-N 2.8Å; L749-W751 VanDerWaalsContact C-N 3.28Å; L749-W751 PolarHBondContact O-N 3.26Å; W751-Q754 PolarHBondContact O-N 3.05Å; W751-S755 WeakPolarHBondContact O-CB 3.39Å; W751-S755 PolarHBondContact O-N 2.94Å |
| 752 | F | 84.5 | Confident | 79.6 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.5 | -49.4 | 176.8 | -166.7 | -70.6 | 0 | 0 | 0 | 111.1 | A96 L99 A100 F103 A173 L749 Q754 S755 T756 | A96-F752 HydrophobicContact CB-CD2 4.2Å; A96-F752 WeakPolarHBondContact O-CD2 3.13Å; L99-F752 HydrophobicContact CB-CE2 4.19Å; L99-F752 HydrophobicContact CD2-CE2 4.07Å; L99-F752 HydrophobicContact CD2-CZ 4.44Å; L99-F752 HydrophobicContact CG-CE2 4.02Å; L99-F752 HydrophobicContact CG-CZ 4.4Å; A100-F752 HydrophobicContact CB-CD2 3.82Å; A100-F752 HydrophobicContact CB-CE2 3.77Å; A100-F752 HydrophobicContact CB-CZ 4.42Å; F103-F752 HydrophobicContact CD2-CE2 4.32Å; F103-F752 AromaticContact CD2-CZ 3.57Å; F103-F752 HydrophobicContact CD2-CZ 3.57Å; F103-F752 AromaticContact CE2-CZ 3.85Å; F103-F752 HydrophobicContact CE2-CZ 3.85Å; A173-F752 HydrophobicContact CB-CD1 3.32Å; A173-F752 HydrophobicContact CB-CE1 3.29Å; A173-F752 HydrophobicContact CB-CG 4.19Å; A173-F752 HydrophobicContact CB-CZ 4.1Å; L749-F752 PolarHBondContact O-N 3.29Å; F752-Q754 PolarHBondContact O-N 3.07Å; F752-S755 WeakPolarHBondContact O-CB 3.48Å; F752-S755 PolarHBondContact O-N 3.4Å; F752-T756 PolarHBondContact O-N 2.61Å; F752-T756 PolarHBondContact O-OG1 3.15Å |
| 753 | L | 82.2 | Confident | 81.2 | Confident | 7 Ų | 7 | 15 Ų | 15 | 4% | 0.037 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.9 | -42.8 | 179.3 | -66 | 174.5 | 0 | 0 | 0 | 112.4 | F170 A173 Y174 L749 K750 S755 T756 R757 L812 | F170-L753 HydrophobicContact CD1-CD2 3.52Å; F170-L753 HydrophobicContact CE1-CB 4.44Å; F170-L753 HydrophobicContact CE1-CD2 3.71Å; A173-L753 HydrophobicContact CB-CD2 4.17Å; Y174-L753 HydrophobicContact CE2-CD2 4.14Å; L749-L753 HydrophobicContact CD1-CD1 4.11Å; L749-L753 HydrophobicContact CD1-CD2 4.34Å; L749-L753 HydrophobicContact CD1-CG 3.93Å; L749-L753 HydrophobicContact CD2-CD1 4.15Å; L749-L753 HydrophobicContact CG-CD1 3.72Å; L749-L753 HydrophobicContact CG-CG 4.04Å; L749-L753 WeakPolarHBondContact O-CG 3.45Å; L749-L753 PolarHBondContact O-N 3.11Å; K750-L753 PolarHBondContact O-N 3.12Å; L753-S755 VanDerWaalsContact C-N 3.26Å; L753-S755 PolarHBondContact O-N 3.02Å; L753-T756 PolarHBondContact O-N 3.28Å; L753-T756 VanDerWaalsContact O-N 3.15Å; L753-R757 WeakPolarHBondContact O-CG 3.45Å; L753-R757 PolarHBondContact O-N 3.02Å; L753-L812 HydrophobicContact CD1-CD1 3.53Å; L753-L812 HydrophobicContact CD1-CD2 3.92Å; L753-L812 HydrophobicContact CD1-CG 4.33Å |
| 754 | Q | 86.3 | Confident | 82.8 | Confident | 18 Ų | 18 | 15.3 Ų | 15.3 | 8% | 0.084 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.9 | -41.2 | 176.5 | 179.3 | 174.8 | -19.8 | 0 | 0 | 110.7 | S563 Y566 R567 K750 W751 F752 T756 R757 F758 | S563-Q754 PolarHBondContact O-NE2 3.25Å; S563-Q754 VanDerWaalsContact O-NE2 3.1Å; S563-Q754 PolarHBondContact O-OE1 3.29Å; S563-Q754 PolarHBondContact OG-OE1 3.38Å; Y566-Q754 HydrophobicContact CD1-CB 4.33Å; Y566-Q754 VanDerWaalsContact CD1-CD 3.43Å; Y566-Q754 HydrophobicContact CD1-CG 3.8Å; Y566-Q754 VanDerWaalsContact CD1-NE2 3.29Å; Y566-Q754 HydrophobicContact CE1-CB 4Å; Y566-Q754 HydrophobicContact CE1-CG 3.63Å; R567-Q754 VanDerWaalsContact CA-NE2 3.34Å; R567-Q754 VanDerWaalsContact CB-NE2 3.29Å; K750-Q754 WeakPolarHBondContact O-CB 3.21Å; K750-Q754 PolarHBondContact O-N 2.88Å; W751-Q754 PolarHBondContact O-N 3.05Å; F752-Q754 PolarHBondContact O-N 3.07Å; Q754-T756 VanDerWaalsContact C-N 3.34Å; Q754-T756 PolarHBondContact O-N 2.67Å; Q754-R757 PolarHBondContact O-N 2.73Å; Q754-F758 HydrophobicContact CG-CD2 4.05Å; Q754-F758 HydrophobicContact CG-CE2 3.47Å; Q754-F758 VanDerWaalsContact CG-CE2 3.47Å; Q754-F758 HydrophobicContact CG-CZ 3.87Å; Q754-F758 WeakPolarHBondContact O-CD2 3.45Å; Q754-F758 PolarHBondContact O-N 2.96Å |
| 755 | S | 90.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 173.9 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | R104 Y566 S686 W751 F752 L753 R757 F758 S759 | R104-S755 VanDerWaalsContact NH2-CB 3.3Å; R104-S755 PolarHBondContact NH2-O 3.08Å; R104-S755 PolarHBondContact NH2-OG 3.34Å; Y566-S755 WeakPolarHBondContact OH-CA 3.31Å; Y566-S755 WeakPolarHBondContact OH-CB 3.35Å; Y566-S755 PolarHBondContact OH-OG 3.13Å; S686-S755 PolarHBondContact OG-OG 2.83Å; W751-S755 WeakPolarHBondContact O-CB 3.39Å; W751-S755 PolarHBondContact O-N 2.94Å; F752-S755 WeakPolarHBondContact O-CB 3.48Å; F752-S755 PolarHBondContact O-N 3.4Å; L753-S755 VanDerWaalsContact C-N 3.26Å; L753-S755 PolarHBondContact O-N 3.02Å; S755-R757 VanDerWaalsContact C-N 3.28Å; S755-R757 PolarHBondContact O-N 2.88Å; S755-F758 PolarHBondContact O-N 3.32Å; S755-S759 PolarHBondContact O-N 3.46Å; S755-S759 VanDerWaalsContact O-N 3.07Å |
| 756 | T | 87.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.8 | -31.9 | -178.6 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | R104 T166 C169 F170 F752 L753 Q754 S759 | R104-T756 PolarHBondContact NH2-OG1 2.75Å; T166-T756 HydrophobicContact CG2-CG2 3.55Å; C169-T756 HydrophobicContact CB-CG2 4.22Å; C169-T756 PolarHBondContact SG-OG1 3.16Å; C169-T756 VanDerWaalsContact SG-OG1 3.35Å; F170-T756 HydrophobicContact CD1-CG2 4.12Å; F170-T756 HydrophobicContact CD2-CG2 3.69Å; F170-T756 HydrophobicContact CE1-CG2 3.73Å; F170-T756 HydrophobicContact CE2-CG2 3.26Å; F170-T756 HydrophobicContact CG-CG2 4.09Å; F170-T756 VanDerWaalsContact CZ-CB 3.44Å; F170-T756 HydrophobicContact CZ-CG2 3.29Å; F752-T756 PolarHBondContact O-N 2.61Å; F752-T756 PolarHBondContact O-OG1 3.15Å; L753-T756 PolarHBondContact O-N 3.28Å; L753-T756 VanDerWaalsContact O-N 3.15Å; Q754-T756 VanDerWaalsContact C-N 3.34Å; Q754-T756 PolarHBondContact O-N 2.67Å; T756-S759 WeakPolarHBondContact O-CB 3.36Å; T756-S759 PolarHBondContact O-N 2.8Å; T756-S759 PolarHBondContact O-OG 3.4Å |
| 757 | R | 87.2 | Confident | 86.9 | Confident | 96 Ų | 96 | 13.1 Ų | 13.1 | 36% | 0.362 | 6% | 0.063 | S | C | . | . | H | α-helix | trans | -65.4 | -44.8 | 170.7 | -67.8 | 175 | 65 | 170.1 | 0.5 | 112.8 | F170 L753 Q754 S755 S759 L760 S805 | F170-R757 HydrophobicContact CZ-CG 4.05Å; L753-R757 WeakPolarHBondContact O-CG 3.45Å; L753-R757 PolarHBondContact O-N 3.02Å; Q754-R757 PolarHBondContact O-N 2.73Å; S755-R757 VanDerWaalsContact C-N 3.28Å; S755-R757 PolarHBondContact O-N 2.88Å; R757-S759 PolarHBondContact O-N 2.87Å; R757-L760 WeakPolarHBondContact O-CB 3.33Å; R757-L760 PolarHBondContact O-N 3.18Å; R757-S805 VanDerWaalsContact CZ-OG 3.28Å; R757-S805 PolarHBondContact NE-OG 3.47Å; R757-S805 PolarHBondContact NH2-OG 2.92Å |
| 758 | F | 91.1 | Very high | 88 | Confident | 16 Ų | 16 | 15.6 Ų | 15.6 | 7% | 0.07 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.2 | -28.5 | 178 | -67.9 | -37.3 | 0 | 0 | 0 | 112.9 | Y566 R567 Y570 W571 Q754 S755 L760 T761 | Y566-F758 HydrophobicContact CD1-CE2 4.36Å; Y566-F758 HydrophobicContact CD2-CE2 4.31Å; Y566-F758 HydrophobicContact CE1-CD2 4.06Å; Y566-F758 HydrophobicContact CE1-CE2 4.03Å; Y566-F758 AromaticContact CE2-CD2 3.82Å; Y566-F758 HydrophobicContact CE2-CD2 3.82Å; Y566-F758 AromaticContact CE2-CE2 3.93Å; Y566-F758 HydrophobicContact CE2-CE2 3.93Å; Y566-F758 AromaticContact CZ-CD2 3.54Å; Y566-F758 AromaticContact CZ-CE2 3.82Å; R567-F758 HydrophobicContact CB-CZ 4.27Å; R567-F758 HydrophobicContact CG-CZ 4.06Å; Y570-F758 HydrophobicContact CD1-CB 4.35Å; Y570-F758 AromaticContact CD1-CD1 3.61Å; Y570-F758 HydrophobicContact CD1-CD1 3.61Å; Y570-F758 AromaticContact CD1-CD2 3.92Å; Y570-F758 HydrophobicContact CD1-CD2 3.92Å; Y570-F758 AromaticContact CD1-CE1 3.78Å; Y570-F758 HydrophobicContact CD1-CE1 3.78Å; Y570-F758 HydrophobicContact CD1-CE2 4.04Å; Y570-F758 AromaticContact CD1-CG 3.72Å; Y570-F758 HydrophobicContact CD1-CG 3.72Å; Y570-F758 AromaticContact CD1-CZ 4Å; Y570-F758 HydrophobicContact CD1-CZ 4Å; Y570-F758 HydrophobicContact CD2-CB 4.45Å; Y570-F758 HydrophobicContact CD2-CD2 4.27Å; Y570-F758 HydrophobicContact CD2-CG 4.39Å; Y570-F758 HydrophobicContact CE1-CB 4.03Å; Y570-F758 AromaticContact CE1-CD1 3.63Å; Y570-F758 HydrophobicContact CE1-CD1 3.63Å; Y570-F758 HydrophobicContact CE1-CD2 4.44Å; Y570-F758 HydrophobicContact CE1-CE1 4.19Å; Y570-F758 AromaticContact CE1-CG 3.81Å; Y570-F758 HydrophobicContact CE1-CG 3.81Å; Y570-F758 HydrophobicContact CE2-CB 4.16Å; Y570-F758 HydrophobicContact CE2-CG 4.48Å; Y570-F758 HydrophobicContact CG-CD1 4.37Å; Y570-F758 AromaticContact CG-CD2 3.85Å; Y570-F758 HydrophobicContact CG-CD2 3.85Å; Y570-F758 HydrophobicContact CG-CE2 4.02Å; Y570-F758 HydrophobicContact CG-CG 4.05Å; Y570-F758 HydrophobicContact CG-CZ 4.41Å; W571-F758 AromaticContact CE2-CE1 3.91Å; W571-F758 HydrophobicContact CZ2-CD1 4.37Å; W571-F758 HydrophobicContact CZ2-CE1 4.03Å; W571-F758 AromaticContact NE1-CE1 3.67Å; Q754-F758 HydrophobicContact CG-CD2 4.05Å; Q754-F758 HydrophobicContact CG-CE2 3.47Å; Q754-F758 VanDerWaalsContact CG-CE2 3.47Å; Q754-F758 HydrophobicContact CG-CZ 3.87Å; Q754-F758 WeakPolarHBondContact O-CD2 3.45Å; Q754-F758 PolarHBondContact O-N 2.96Å; S755-F758 PolarHBondContact O-N 3.32Å; F758-L760 PolarHBondContact O-N 2.84Å; F758-L760 VanDerWaalsContact O-N 3.13Å; F758-T761 WeakPolarHBondContact O-CB 3.48Å; F758-T761 PolarHBondContact O-N 3.37Å; F758-T761 PolarHBondContact O-OG1 3.26Å |
| 759 | S | 90.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.9 | -21.6 | 175.2 | 84.4 | 0 | 0 | 0 | 0 | 114.5 | R104 Q107 Y162 S755 T756 R757 | R104-S759 PolarHBondContact NH1-OG 3.34Å; R104-S759 VanDerWaalsContact NH1-OG 3.14Å; Q107-S759 PolarHBondContact NE2-OG 3.34Å; Y162-S759 VanDerWaalsContact OH-CB 3.27Å; Y162-S759 WeakPolarHBondContact OH-CB 3.31Å; Y162-S759 PolarHBondContact OH-O 2.9Å; Y162-S759 PolarHBondContact OH-OG 3.1Å; S755-S759 PolarHBondContact O-N 3.46Å; S755-S759 VanDerWaalsContact O-N 3.07Å; T756-S759 WeakPolarHBondContact O-CB 3.36Å; T756-S759 PolarHBondContact O-N 2.8Å; T756-S759 PolarHBondContact O-OG 3.4Å; R757-S759 PolarHBondContact O-N 2.87Å |
| 760 | L | 93.2 | Very high | 89.5 | Confident | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.026 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -72.6 | -30.2 | 175.2 | -64 | 168.9 | 0 | 0 | 0 | 112.3 | L163 T166 R757 F758 G762 V763 C764 F804 | L163-L760 HydrophobicContact CD2-CD2 3.69Å; T166-L760 HydrophobicContact CG2-CD2 4.05Å; R757-L760 WeakPolarHBondContact O-CB 3.33Å; R757-L760 PolarHBondContact O-N 3.18Å; F758-L760 PolarHBondContact O-N 2.84Å; F758-L760 VanDerWaalsContact O-N 3.13Å; L760-G762 PolarHBondContact O-N 2.69Å; L760-V763 PolarHBondContact O-N 3.24Å; L760-V763 VanDerWaalsContact O-N 3.08Å; L760-C764 PolarHBondContact O-N 2.67Å; L760-F804 HydrophobicContact CD1-CD1 4.01Å; L760-F804 HydrophobicContact CD2-CD1 4.31Å |
| 761 | T | 93.6 | Very high | 90.3 | Very high | 26 Ų | 26 | 15.7 Ų | 15.7 | 16% | 0.16 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.1 | -28.8 | -179.8 | 65.9 | 0 | 0 | 0 | 0 | 112.1 | Y570 W571 F758 C764 M765 | Y570-T761 PolarHBondContact OH-OG1 3.05Å; W571-T761 HydrophobicContact CH2-CG2 3.92Å; F758-T761 WeakPolarHBondContact O-CB 3.48Å; F758-T761 PolarHBondContact O-N 3.37Å; F758-T761 PolarHBondContact O-OG1 3.26Å; T761-C764 PolarHBondContact O-N 3.18Å; T761-M765 PolarHBondContact O-N 3.39Å |
| 762 | G | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I693 L760 M765 A766 | I693-G762 VanDerWaalsContact CG2-C 3.41Å; I693-G762 WeakPolarHBondContact CG2-O 3.25Å; L760-G762 PolarHBondContact O-N 2.69Å; G762-M765 PolarHBondContact O-N 2.9Å; G762-A766 WeakPolarHBondContact O-CB 3.27Å; G762-A766 PolarHBondContact O-N 3.5Å |
| 763 | V | 94.5 | Very high | 90.5 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 3% | 0.03 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.8 | -41.1 | 178 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | I159 Y162 I693 L760 M765 A766 S767 | I159-V763 HydrophobicContact CG1-CG1 3.9Å; I159-V763 HydrophobicContact CG2-CG1 4.1Å; Y162-V763 HydrophobicContact CD1-CG2 3.3Å; Y162-V763 HydrophobicContact CD2-CG2 4.37Å; Y162-V763 HydrophobicContact CE1-CG2 3.32Å; Y162-V763 HydrophobicContact CE2-CG2 4.38Å; Y162-V763 HydrophobicContact CG-CG2 3.86Å; I693-V763 HydrophobicContact CG2-CG2 4.13Å; L760-V763 PolarHBondContact O-N 3.24Å; L760-V763 VanDerWaalsContact O-N 3.08Å; V763-M765 VanDerWaalsContact C-N 3.35Å; V763-A766 WeakPolarHBondContact O-CB 3.28Å; V763-A766 PolarHBondContact O-N 3.27Å; V763-S767 PolarHBondContact O-N 3.12Å; V763-S767 PolarHBondContact O-OG 2.86Å |
| 764 | C | 95.2 | Very high | 90.7 | Very high | 21 Ų | 21 | 16.5 Ų | 16.5 | 14% | 0.142 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | 173.1 | -61 | 0 | 0 | 0 | 0 | 111.5 | L760 T761 A766 S767 I768 I798 | L760-C764 PolarHBondContact O-N 2.67Å; T761-C764 PolarHBondContact O-N 3.18Å; C764-A766 VanDerWaalsContact C-N 3.33Å; C764-A766 PolarHBondContact O-N 2.8Å; C764-S767 PolarHBondContact O-N 3.32Å; C764-S767 PolarHBondContact O-OG 2.83Å; C764-I768 WeakPolarHBondContact O-CB 3.17Å; C764-I768 WeakPolarHBondContact O-CD1 3.49Å; C764-I768 WeakPolarHBondContact O-CG1 3.28Å; C764-I768 PolarHBondContact O-N 2.83Å; C764-I798 HydrophobicContact CB-CG1 4.24Å |
| 765 | M | 93 | Very high | 90.7 | Very high | 9 Ų | 9 | 17.4 Ų | 17.4 | 4% | 0.044 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.6 | -36.4 | 175.7 | -78.2 | -57.6 | -64.3 | 0 | 0 | 112.6 | F574 L578 L579 A694 T761 G762 V763 I768 N769 | F574-M765 HydrophobicContact CE2-CG 3.63Å; F574-M765 HydrophobicContact CE2-SD 4.23Å; F574-M765 HydrophobicContact CZ-CG 3.78Å; F574-M765 HydrophobicContact CZ-SD 3.78Å; L578-M765 HydrophobicContact CD2-CG 4.41Å; L579-M765 HydrophobicContact CD1-CE 3.95Å; L579-M765 HydrophobicContact CD1-SD 4.28Å; A694-M765 HydrophobicContact CB-CB 3.64Å; T761-M765 PolarHBondContact O-N 3.39Å; G762-M765 PolarHBondContact O-N 2.9Å; V763-M765 VanDerWaalsContact C-N 3.35Å; M765-I768 PolarHBondContact O-N 2.84Å; M765-I768 HydrophobicContact SD-CD1 4.31Å; M765-N769 WeakPolarHBondContact O-CB 3.33Å; M765-N769 PolarHBondContact O-N 2.97Å |
| 766 | A | 93.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 20.9 Ų | 20.9 | 9% | 0.091 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I693 P697 G762 V763 C764 N769 V770 | I693-A766 HydrophobicContact CG2-CB 4.21Å; I693-A766 WeakPolarHBondContact O-CB 3.37Å; P697-A766 HydrophobicContact CG-CB 4.03Å; G762-A766 WeakPolarHBondContact O-CB 3.27Å; G762-A766 PolarHBondContact O-N 3.5Å; V763-A766 WeakPolarHBondContact O-CB 3.28Å; V763-A766 PolarHBondContact O-N 3.27Å; C764-A766 VanDerWaalsContact C-N 3.33Å; C764-A766 PolarHBondContact O-N 2.8Å; A766-N769 PolarHBondContact O-N 3.37Å; A766-V770 PolarHBondContact O-N 2.88Å |
| 767 | S | 93.5 | Very high | 90 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68 | -40.6 | 177.2 | 65.8 | 0 | 0 | 0 | 0 | 111.9 | V763 C764 V770 F771 T794 T797 | V763-S767 PolarHBondContact O-N 3.12Å; V763-S767 PolarHBondContact O-OG 2.86Å; C764-S767 PolarHBondContact O-N 3.32Å; C764-S767 PolarHBondContact O-OG 2.83Å; S767-V770 PolarHBondContact O-N 2.86Å; S767-F771 WeakPolarHBondContact O-CB 3.43Å; S767-F771 PolarHBondContact O-N 3.47Å; S767-T794 VanDerWaalsContact C-CG2 3.49Å; S767-T794 VanDerWaalsContact O-CG2 3.24Å; S767-T794 WeakPolarHBondContact O-CG2 3.5Å; S767-T797 PolarHBondContact OG-OG1 2.88Å |
| 768 | I | 92.1 | Very high | 89.7 | Confident | 53 Ų | 53 | 24.3 Ų | 24.3 | 27% | 0.272 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 174.8 | -70.1 | 165.3 | 0 | 0 | 0 | 111.5 | F618 C764 M765 V770 F771 A772 | F618-I768 HydrophobicContact CZ-CG2 4.42Å; C764-I768 WeakPolarHBondContact O-CB 3.17Å; C764-I768 WeakPolarHBondContact O-CD1 3.49Å; C764-I768 WeakPolarHBondContact O-CG1 3.28Å; C764-I768 PolarHBondContact O-N 2.83Å; M765-I768 PolarHBondContact O-N 2.84Å; M765-I768 HydrophobicContact SD-CD1 4.31Å; I768-V770 PolarHBondContact O-N 3.46Å; I768-F771 PolarHBondContact O-N 2.93Å; I768-A772 VanDerWaalsContact O-CB 3.29Å; I768-A772 WeakPolarHBondContact O-CB 3.39Å; I768-A772 PolarHBondContact O-N 3.38Å |
| 769 | N | 89.4 | Confident | 89.3 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | -178.2 | -77.1 | -11.9 | 0 | 0 | 0 | 112 | F618 A694 V698 M765 A766 A772 F773 | F618-N769 VanDerWaalsContact CD1-OD1 3.3Å; F618-N769 WeakPolarHBondContact CD1-OD1 3.49Å; F618-N769 WeakPolarHBondContact CE1-OD1 3.43Å; A694-N769 PolarHBondContact O-ND2 3.41Å; V698-N769 HydrophobicContact CG2-CB 3.95Å; M765-N769 WeakPolarHBondContact O-CB 3.33Å; M765-N769 PolarHBondContact O-N 2.97Å; A766-N769 PolarHBondContact O-N 3.37Å; N769-A772 PolarHBondContact O-N 3.31Å; N769-F773 PolarHBondContact O-N 3.18Å |
| 770 | V | 90.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.7 | -41 | 178.6 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | I137 I155 P697 A766 S767 I768 A772 F773 Y774 Y790 | I137-V770 HydrophobicContact CD1-CG1 4.05Å; I137-V770 HydrophobicContact CD1-CG2 4.4Å; I155-V770 HydrophobicContact CD1-CB 4.44Å; I155-V770 HydrophobicContact CD1-CG1 4.08Å; I155-V770 HydrophobicContact CD1-CG2 3.95Å; P697-V770 HydrophobicContact CB-CG2 3.55Å; P697-V770 HydrophobicContact CG-CG2 4.38Å; A766-V770 PolarHBondContact O-N 2.88Å; S767-V770 PolarHBondContact O-N 2.86Å; I768-V770 PolarHBondContact O-N 3.46Å; V770-A772 VanDerWaalsContact C-N 3.32Å; V770-A772 PolarHBondContact O-N 3.34Å; V770-F773 WeakPolarHBondContact O-CB 3.41Å; V770-F773 PolarHBondContact O-N 3.17Å; V770-Y774 HydrophobicContact CG1-CD2 3.93Å; V770-Y774 HydrophobicContact CG1-CE2 3.84Å; V770-Y774 WeakPolarHBondContact O-CD2 3.21Å; V770-Y774 PolarHBondContact O-N 3.38Å; V770-Y774 VanDerWaalsContact O-N 3.16Å; V770-Y790 HydrophobicContact CB-CD1 4.39Å; V770-Y790 HydrophobicContact CB-CE1 4.29Å; V770-Y790 HydrophobicContact CG1-CD1 3.7Å; V770-Y790 HydrophobicContact CG1-CE1 3.33Å; V770-Y790 HydrophobicContact CG1-CE2 4.28Å; V770-Y790 HydrophobicContact CG1-CG 4.31Å |
| 771 | F | 91.7 | Very high | 88.5 | Confident | 48 Ų | 48 | 34.2 Ų | 34.2 | 21% | 0.211 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 174.2 | 167.7 | -115.6 | 0 | 0 | 0 | 112 | S767 I768 F773 Y774 S775 I787 F791 T794 | S767-F771 WeakPolarHBondContact O-CB 3.43Å; S767-F771 PolarHBondContact O-N 3.47Å; I768-F771 PolarHBondContact O-N 2.93Å; F771-F773 PolarHBondContact O-N 2.92Å; F771-Y774 PolarHBondContact O-N 3.44Å; F771-S775 WeakPolarHBondContact CD2-OG 3.25Å; F771-S775 WeakPolarHBondContact CE2-OG 3.39Å; F771-S775 WeakPolarHBondContact CZ-OG 3.33Å; F771-S775 WeakPolarHBondContact O-CB 3.29Å; F771-S775 PolarHBondContact O-N 3.2Å; F771-S775 PolarHBondContact O-OG 2.73Å; F771-I787 HydrophobicContact CE2-CG2 4.07Å; F771-F791 HydrophobicContact CD2-CB 3.97Å; F771-F791 HydrophobicContact CE1-CD2 4.15Å; F771-F791 HydrophobicContact CE2-CB 3.55Å; F771-F791 AromaticContact CE2-CD2 3.94Å; F771-F791 HydrophobicContact CE2-CD2 3.94Å; F771-F791 HydrophobicContact CE2-CG 4.22Å; F771-F791 HydrophobicContact CZ-CB 4.16Å; F771-F791 AromaticContact CZ-CD2 3.62Å; F771-F791 HydrophobicContact CZ-CD2 3.62Å; F771-F791 HydrophobicContact CZ-CG 4.34Å; F771-T794 HydrophobicContact CB-CG2 3.36Å; F771-T794 HydrophobicContact CD1-CG2 4.21Å; F771-T794 HydrophobicContact CG-CG2 3.87Å |
| 772 | A | 86.2 | Confident | 88.1 | Confident | 14 Ų | 14 | 37.7 Ų | 37.7 | 12% | 0.116 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F618 I768 N769 V770 Y774 S775 L776 | F618-A772 HydrophobicContact CB-CB 4.33Å; F618-A772 HydrophobicContact CD2-CB 3.2Å; F618-A772 HydrophobicContact CE2-CB 3.56Å; F618-A772 HydrophobicContact CG-CB 3.87Å; F618-A772 HydrophobicContact CZ-CB 4.43Å; I768-A772 VanDerWaalsContact O-CB 3.29Å; I768-A772 WeakPolarHBondContact O-CB 3.39Å; I768-A772 PolarHBondContact O-N 3.38Å; N769-A772 PolarHBondContact O-N 3.31Å; V770-A772 VanDerWaalsContact C-N 3.32Å; V770-A772 PolarHBondContact O-N 3.34Å; A772-Y774 VanDerWaalsContact C-N 3.35Å; A772-Y774 PolarHBondContact O-N 2.89Å; A772-S775 PolarHBondContact O-N 2.87Å; A772-L776 WeakPolarHBondContact O-CG 3.47Å; A772-L776 PolarHBondContact O-N 3.09Å; A772-L776 VanDerWaalsContact O-N 3.08Å |
| 773 | F | 85.8 | Confident | 87.9 | Confident | 15 Ų | 15 | 37.8 Ų | 37.8 | 7% | 0.066 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.8 | -47.3 | 174.1 | 173.1 | -96.6 | 0 | 0 | 0 | 112.6 | I137 A138 N769 V770 F771 | I137-F773 HydrophobicContact CB-CZ 4.45Å; I137-F773 HydrophobicContact CD1-CD1 3.65Å; I137-F773 HydrophobicContact CD1-CE1 3.94Å; I137-F773 HydrophobicContact CD1-CG 4.12Å; I137-F773 HydrophobicContact CG1-CD1 3.92Å; I137-F773 HydrophobicContact CG1-CE1 3.68Å; I137-F773 HydrophobicContact CG1-CG 4.45Å; I137-F773 HydrophobicContact CG1-CZ 4.02Å; I137-F773 HydrophobicContact CG2-CD1 4.43Å; I137-F773 HydrophobicContact CG2-CD2 3.88Å; I137-F773 HydrophobicContact CG2-CE1 4.44Å; I137-F773 HydrophobicContact CG2-CE2 3.87Å; I137-F773 HydrophobicContact CG2-CG 4.15Å; I137-F773 HydrophobicContact CG2-CZ 4.14Å; I137-F773 WeakPolarHBondContact O-CZ 3.46Å; A138-F773 HydrophobicContact CB-CE2 4.43Å; N769-F773 PolarHBondContact O-N 3.18Å; V770-F773 WeakPolarHBondContact O-CB 3.41Å; V770-F773 PolarHBondContact O-N 3.17Å; F771-F773 PolarHBondContact O-N 2.92Å |
| 774 | Y | 86.7 | Confident | 87.6 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.8 | -33.8 | 177.3 | -77.8 | -73.7 | 0 | 0 | 0 | 112.9 | I137 G148 V770 F771 A772 L776 R777 L783 I787 Y790 | I137-Y774 HydrophobicContact CD1-CE2 4.47Å; G148-Y774 WeakPolarHBondContact CA-OH 3.29Å; V770-Y774 HydrophobicContact CG1-CD2 3.93Å; V770-Y774 HydrophobicContact CG1-CE2 3.84Å; V770-Y774 WeakPolarHBondContact O-CD2 3.21Å; V770-Y774 PolarHBondContact O-N 3.38Å; V770-Y774 VanDerWaalsContact O-N 3.16Å; F771-Y774 PolarHBondContact O-N 3.44Å; A772-Y774 VanDerWaalsContact C-N 3.35Å; A772-Y774 PolarHBondContact O-N 2.89Å; Y774-L776 VanDerWaalsContact C-N 3.26Å; Y774-L776 PolarHBondContact O-N 3.48Å; Y774-R777 CarbonylContact O-C 3.55Å; Y774-R777 WeakPolarHBondContact O-CA 3.43Å; Y774-R777 WeakPolarHBondContact O-CB 3.28Å; Y774-R777 PolarHBondContact O-N 2.87Å; Y774-L783 HydrophobicContact CD1-CD2 4.46Å; Y774-L783 HydrophobicContact CE1-CD2 4.3Å; Y774-I787 WeakPolarHBondContact O-CD1 3.48Å; Y774-Y790 AromaticContact CD2-CD2 3.49Å; Y774-Y790 HydrophobicContact CD2-CD2 3.49Å; Y774-Y790 VanDerWaalsContact CD2-CD2 3.49Å; Y774-Y790 AromaticContact CD2-CE2 3.49Å; Y774-Y790 HydrophobicContact CD2-CE2 3.49Å; Y774-Y790 VanDerWaalsContact CD2-CE2 3.49Å; Y774-Y790 HydrophobicContact CD2-CG 4.23Å; Y774-Y790 AromaticContact CE2-CD2 3.74Å; Y774-Y790 HydrophobicContact CE2-CD2 3.74Å; Y774-Y790 AromaticContact CE2-CE2 3.17Å; Y774-Y790 HydrophobicContact CE2-CE2 3.17Å; Y774-Y790 AromaticContact CE2-CZ 3.69Å; Y774-Y790 HydrophobicContact CG-CD2 4.2Å; Y774-Y790 HydrophobicContact CG-CE2 4.4Å; Y774-Y790 AromaticContact CZ-CE2 3.88Å |
| 775 | S | 86.7 | Confident | 87.5 | Confident | 37 Ų | 37 | 44.2 Ų | 44.2 | 26% | 0.259 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.4 | -33.3 | 178.1 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | F771 A772 R777 W778 | F771-S775 WeakPolarHBondContact CD2-OG 3.25Å; F771-S775 WeakPolarHBondContact CE2-OG 3.39Å; F771-S775 WeakPolarHBondContact CZ-OG 3.33Å; F771-S775 WeakPolarHBondContact O-CB 3.29Å; F771-S775 PolarHBondContact O-N 3.2Å; F771-S775 PolarHBondContact O-OG 2.73Å; A772-S775 PolarHBondContact O-N 2.87Å; S775-R777 PolarHBondContact O-N 2.83Å; S775-W778 VanDerWaalsContact O-CB 3.27Å; S775-W778 WeakPolarHBondContact O-CB 3.24Å; S775-W778 PolarHBondContact O-N 3.28Å |
| 776 | L | 81.6 | Confident | 87.4 | Confident | 74 Ų | 74 | 43.8 Ų | 43.8 | 39% | 0.387 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -15.7 | 173.3 | -69.3 | 179.4 | 0 | 0 | 0 | 113.6 | T614 I617 A772 Y774 | T614-L776 WeakPolarHBondContact O-CD2 3.41Å; I617-L776 WeakPolarHBondContact O-CD1 3.4Å; A772-L776 WeakPolarHBondContact O-CG 3.47Å; A772-L776 PolarHBondContact O-N 3.09Å; A772-L776 VanDerWaalsContact O-N 3.08Å; Y774-L776 VanDerWaalsContact C-N 3.26Å; Y774-L776 PolarHBondContact O-N 3.48Å |
| 777 | R | 80.1 | Confident | 87.3 | Confident | 41 Ų | 41 | 43.5 Ų | 43.5 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 20.1 | 178 | -59.6 | 176 | 175.7 | -167.2 | -5.9 | 112.5 | L140 G141 Y774 S775 S779 S780 L783 | L140-R777 PolarHBondContact O-NH1 3.16Å; L140-R777 PolarHBondContact O-NH2 3.42Å; G141-R777 PolarHBondContact O-NH1 3.15Å; Y774-R777 CarbonylContact O-C 3.55Å; Y774-R777 WeakPolarHBondContact O-CA 3.43Å; Y774-R777 WeakPolarHBondContact O-CB 3.28Å; Y774-R777 PolarHBondContact O-N 2.87Å; S775-R777 PolarHBondContact O-N 2.83Å; R777-S779 PolarHBondContact O-N 3.18Å; R777-S779 VanDerWaalsContact O-N 3.07Å; R777-S780 WeakPolarHBondContact O-CB 3.48Å; R777-S780 PolarHBondContact O-N 3.42Å; R777-L783 HydrophobicContact CB-CD1 3.8Å |
| 778 | W | 82.5 | Confident | 87.3 | Confident | 127 Ų | 127 | 48 Ų | 48 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -24.5 | -178.9 | -180 | -98.3 | 0 | 0 | 0 | 114.9 | S775 S780 I787 | S775-W778 VanDerWaalsContact O-CB 3.27Å; S775-W778 WeakPolarHBondContact O-CB 3.24Å; S775-W778 PolarHBondContact O-N 3.28Å; W778-S780 PolarHBondContact O-N 3.18Å; W778-I787 HydrophobicContact CB-CD1 4.35Å; W778-I787 HydrophobicContact CE3-CB 4.27Å; W778-I787 HydrophobicContact CE3-CD1 3.69Å; W778-I787 HydrophobicContact CE3-CG2 3.79Å; W778-I787 HydrophobicContact CZ3-CB 4.27Å; W778-I787 HydrophobicContact CZ3-CD1 4.4Å; W778-I787 HydrophobicContact CZ3-CG2 3.84Å |
| 779 | S | 81.4 | Confident | 87.4 | Confident | 107 Ų | 107 | 46.1 Ų | 46.1 | 75% | 0.748 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -28.1 | 175.9 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | R777 V781 | R777-S779 PolarHBondContact O-N 3.18Å; R777-S779 VanDerWaalsContact O-N 3.07Å; S779-V781 PolarHBondContact O-N 3.4Å |
| 780 | S | 82.5 | Confident | 87.7 | Confident | 16 Ų | 16 | 46 Ų | 46 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | trans | -74 | 118 | 175.9 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | I142 R777 W778 E782 L783 | I142-S780 VanDerWaalsContact CG2-CB 3.43Å; I142-S780 VanDerWaalsContact CG2-OG 3.3Å; I142-S780 WeakPolarHBondContact CG2-OG 3.35Å; R777-S780 WeakPolarHBondContact O-CB 3.48Å; R777-S780 PolarHBondContact O-N 3.42Å; W778-S780 PolarHBondContact O-N 3.18Å; S780-E782 VanDerWaalsContact C-N 3.27Å; S780-E782 PolarHBondContact O-N 2.68Å; S780-L783 PolarHBondContact O-N 3.37Å | ||
| 781 | V | 84.4 | Confident | 87.9 | Confident | 106 Ų | 106 | 50.3 Ų | 50.3 | 64% | 0.642 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -37.1 | 176.6 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | S779 L783 R784 | S779-V781 PolarHBondContact O-N 3.4Å; V781-L783 VanDerWaalsContact C-N 3.32Å; V781-L783 PolarHBondContact O-N 3.2Å; V781-R784 WeakPolarHBondContact O-CB 3.29Å; V781-R784 WeakPolarHBondContact O-CG 3.34Å; V781-R784 PolarHBondContact O-N 3.47Å |
| 782 | E | 86.1 | Confident | 88.1 | Confident | 99 Ų | 99 | 51.5 Ų | 51.5 | 46% | 0.463 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -32.7 | -179.4 | -73.1 | 179.5 | -169 | 0 | 0 | 113.7 | I145 S780 P785 | I145-E782 HydrophobicContact CD1-CB 3.74Å; I145-E782 HydrophobicContact CD1-CG 4.25Å; I145-E782 HydrophobicContact CG1-CB 4.28Å; S780-E782 VanDerWaalsContact C-N 3.27Å; S780-E782 PolarHBondContact O-N 2.68Å; E782-P785 WeakPolarHBondContact O-CD 3.39Å |
| 783 | L | 87.4 | Confident | 88.6 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -10 | -178.1 | -68.3 | 174.7 | 0 | 0 | 0 | 113.6 | I142 Y774 R777 S780 V781 P785 L786 I787 | I142-L783 HydrophobicContact CG2-CD1 4.1Å; I142-L783 WeakPolarHBondContact O-CG 3.45Å; Y774-L783 HydrophobicContact CD1-CD2 4.46Å; Y774-L783 HydrophobicContact CE1-CD2 4.3Å; R777-L783 HydrophobicContact CB-CD1 3.8Å; S780-L783 PolarHBondContact O-N 3.37Å; V781-L783 VanDerWaalsContact C-N 3.32Å; V781-L783 PolarHBondContact O-N 3.2Å; L783-P785 VanDerWaalsContact C-CD 3.49Å; L783-L786 HydrophobicContact CD2-CD1 3.92Å; L783-L786 WeakPolarHBondContact O-CB 3.21Å; L783-L786 PolarHBondContact O-N 3.34Å; L783-I787 HydrophobicContact CB-CD1 4.27Å; L783-I787 WeakPolarHBondContact O-CG1 3.27Å; L783-I787 PolarHBondContact O-N 3.26Å |
| 784 | R | 90 | Very high | 89.1 | Confident | 88 Ų | 88 | 51 Ų | 51 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -54.6 | -43.4 | -176.3 | -65.8 | 176.1 | -175.1 | -106.7 | 1.4 | 113.7 | V781 L786 I787 I788 | V781-R784 WeakPolarHBondContact O-CB 3.29Å; V781-R784 WeakPolarHBondContact O-CG 3.34Å; V781-R784 PolarHBondContact O-N 3.47Å; R784-L786 VanDerWaalsContact C-N 3.33Å; R784-L786 PolarHBondContact O-N 3.2Å; R784-I787 PolarHBondContact O-N 2.84Å; R784-I788 WeakPolarHBondContact O-CG1 3.11Å; R784-I788 PolarHBondContact O-N 3.13Å |
| 785 | P | 91.5 | Very high | 89.6 | Confident | 73 Ų | 73 | 54.9 Ų | 54.9 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 176.4 | -22.9 | 34.8 | 0 | 0 | 0 | 112.8 | W149 E782 L783 I788 A789 | W149-P785 HydrophobicContact CZ2-CB 4.3Å; E782-P785 WeakPolarHBondContact O-CD 3.39Å; L783-P785 VanDerWaalsContact C-CD 3.49Å; P785-I788 PolarHBondContact O-N 3.11Å; P785-A789 WeakPolarHBondContact O-CB 3.47Å; P785-A789 PolarHBondContact O-N 3.38Å |
| 786 | L | 91 | Very high | 90.1 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 175.9 | -80.1 | 168.9 | 0 | 0 | 0 | 111.6 | I145 W149 L783 R784 I788 A789 Y790 | I145-L786 HydrophobicContact CG2-CD1 4Å; W149-L786 HydrophobicContact CD2-CD2 3.5Å; W149-L786 VanDerWaalsContact CD2-CD2 3.5Å; W149-L786 HydrophobicContact CD2-CG 4.37Å; W149-L786 HydrophobicContact CE3-CD2 3.89Å; W149-L786 HydrophobicContact CG-CD2 3.8Å; W149-L786 HydrophobicContact CH2-CD2 4.39Å; W149-L786 HydrophobicContact CZ2-CD2 4.04Å; W149-L786 HydrophobicContact CZ2-CG 4.28Å; W149-L786 HydrophobicContact CZ3-CD2 4.32Å; L783-L786 HydrophobicContact CD2-CD1 3.92Å; L783-L786 WeakPolarHBondContact O-CB 3.21Å; L783-L786 PolarHBondContact O-N 3.34Å; R784-L786 VanDerWaalsContact C-N 3.33Å; R784-L786 PolarHBondContact O-N 3.2Å; L786-I788 VanDerWaalsContact C-N 3.32Å; L786-I788 PolarHBondContact O-N 3.45Å; L786-A789 PolarHBondContact O-N 3.28Å; L786-Y790 HydrophobicContact CD2-CE2 4.34Å; L786-Y790 VanDerWaalsContact O-CD2 3.23Å; L786-Y790 WeakPolarHBondContact O-CD2 3.29Å; L786-Y790 PolarHBondContact O-N 3.19Å |
| 787 | I | 91.5 | Very high | 90.7 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 178.2 | -62.7 | 163.6 | 0 | 0 | 0 | 110.6 | F771 Y774 W778 L783 R784 Y790 F791 | F771-I787 HydrophobicContact CE2-CG2 4.07Å; Y774-I787 WeakPolarHBondContact O-CD1 3.48Å; W778-I787 HydrophobicContact CB-CD1 4.35Å; W778-I787 HydrophobicContact CE3-CB 4.27Å; W778-I787 HydrophobicContact CE3-CD1 3.69Å; W778-I787 HydrophobicContact CE3-CG2 3.79Å; W778-I787 HydrophobicContact CZ3-CB 4.27Å; W778-I787 HydrophobicContact CZ3-CD1 4.4Å; W778-I787 HydrophobicContact CZ3-CG2 3.84Å; L783-I787 HydrophobicContact CB-CD1 4.27Å; L783-I787 WeakPolarHBondContact O-CG1 3.27Å; L783-I787 PolarHBondContact O-N 3.26Å; R784-I787 PolarHBondContact O-N 2.84Å; I787-Y790 PolarHBondContact O-N 3.08Å; I787-F791 WeakPolarHBondContact O-CB 3.47Å; I787-F791 PolarHBondContact O-N 3.47Å |
| 788 | I | 93.4 | Very high | 91.5 | Very high | 96 Ų | 96 | 53.8 Ų | 53.8 | 49% | 0.492 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 176.2 | -65.2 | 166.1 | 0 | 0 | 0 | 110.4 | R784 P785 L786 Y790 F791 V792 | R784-I788 WeakPolarHBondContact O-CG1 3.11Å; R784-I788 PolarHBondContact O-N 3.13Å; P785-I788 PolarHBondContact O-N 3.11Å; L786-I788 VanDerWaalsContact C-N 3.32Å; L786-I788 PolarHBondContact O-N 3.45Å; I788-Y790 PolarHBondContact O-N 3.26Å; I788-F791 WeakPolarHBondContact O-CB 3.44Å; I788-F791 PolarHBondContact O-N 2.99Å; I788-V792 WeakPolarHBondContact O-CG2 3.23Å; I788-V792 PolarHBondContact O-N 3.39Å |
| 789 | A | 95.2 | Very high | 92.1 | Very high | 14 Ų | 14 | 52.4 Ų | 52.4 | 12% | 0.116 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W149 Y152 P785 L786 F791 V792 L793 | W149-A789 HydrophobicContact CH2-CB 3.94Å; W149-A789 HydrophobicContact CZ3-CB 4.03Å; Y152-A789 HydrophobicContact CD2-CB 4.27Å; Y152-A789 HydrophobicContact CE2-CB 3.75Å; Y152-A789 WeakPolarHBondContact CE2-O 3.18Å; P785-A789 WeakPolarHBondContact O-CB 3.47Å; P785-A789 PolarHBondContact O-N 3.38Å; L786-A789 PolarHBondContact O-N 3.28Å; A789-F791 PolarHBondContact O-N 2.77Å; A789-V792 PolarHBondContact O-N 3.23Å; A789-L793 WeakPolarHBondContact O-CB 3.41Å; A789-L793 PolarHBondContact O-N 3.02Å |
| 790 | Y | 94.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 176.5 | -81.7 | -69.1 | 0 | 0 | 0 | 112.8 | G148 L151 Y152 I155 V770 Y774 L786 I787 I788 L793 T794 | G148-Y790 PolarHBondContact O-OH 3.19Å; L151-Y790 WeakPolarHBondContact CG-OH 3.44Å; Y152-Y790 WeakPolarHBondContact CA-OH 3.1Å; Y152-Y790 AromaticContact CD2-CD1 3.95Å; Y152-Y790 HydrophobicContact CD2-CD1 3.95Å; Y152-Y790 HydrophobicContact CD2-CD2 4.36Å; Y152-Y790 AromaticContact CD2-CE1 3.77Å; Y152-Y790 HydrophobicContact CD2-CE1 3.77Å; Y152-Y790 HydrophobicContact CD2-CE2 4.19Å; Y152-Y790 HydrophobicContact CD2-CG 4.25Å; Y152-Y790 AromaticContact CD2-CZ 3.92Å; Y152-Y790 PolarHBondContact N-OH 3.39Å; Y152-Y790 VanDerWaalsContact N-OH 3.11Å; I155-Y790 HydrophobicContact CD1-CE1 3.96Å; V770-Y790 HydrophobicContact CB-CD1 4.39Å; V770-Y790 HydrophobicContact CB-CE1 4.29Å; V770-Y790 HydrophobicContact CG1-CD1 3.7Å; V770-Y790 HydrophobicContact CG1-CE1 3.33Å; V770-Y790 HydrophobicContact CG1-CE2 4.28Å; V770-Y790 HydrophobicContact CG1-CG 4.31Å; Y774-Y790 AromaticContact CD2-CD2 3.49Å; Y774-Y790 HydrophobicContact CD2-CD2 3.49Å; Y774-Y790 VanDerWaalsContact CD2-CD2 3.49Å; Y774-Y790 AromaticContact CD2-CE2 3.49Å; Y774-Y790 HydrophobicContact CD2-CE2 3.49Å; Y774-Y790 VanDerWaalsContact CD2-CE2 3.49Å; Y774-Y790 HydrophobicContact CD2-CG 4.23Å; Y774-Y790 AromaticContact CE2-CD2 3.74Å; Y774-Y790 HydrophobicContact CE2-CD2 3.74Å; Y774-Y790 AromaticContact CE2-CE2 3.17Å; Y774-Y790 HydrophobicContact CE2-CE2 3.17Å; Y774-Y790 AromaticContact CE2-CZ 3.69Å; Y774-Y790 HydrophobicContact CG-CD2 4.2Å; Y774-Y790 HydrophobicContact CG-CE2 4.4Å; Y774-Y790 AromaticContact CZ-CE2 3.88Å; L786-Y790 HydrophobicContact CD2-CE2 4.34Å; L786-Y790 VanDerWaalsContact O-CD2 3.23Å; L786-Y790 WeakPolarHBondContact O-CD2 3.29Å; L786-Y790 PolarHBondContact O-N 3.19Å; I787-Y790 PolarHBondContact O-N 3.08Å; I788-Y790 PolarHBondContact O-N 3.26Å; Y790-L793 HydrophobicContact CD1-CD2 4.1Å; Y790-L793 HydrophobicContact CE1-CD2 4.32Å; Y790-L793 WeakPolarHBondContact O-CB 3.35Å; Y790-L793 PolarHBondContact O-N 3.47Å; Y790-T794 WeakPolarHBondContact O-CG2 3.36Å; Y790-T794 PolarHBondContact O-N 2.89Å |
| 791 | F | 95.5 | Very high | 93.2 | Very high | 90 Ų | 90 | 50.3 Ų | 50.3 | 40% | 0.395 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59 | -50.5 | 172.6 | 176.2 | -106.2 | 0 | 0 | 0 | 111.2 | F771 I787 I788 A789 L793 T794 M795 | F771-F791 HydrophobicContact CD2-CB 3.97Å; F771-F791 HydrophobicContact CE1-CD2 4.15Å; F771-F791 HydrophobicContact CE2-CB 3.55Å; F771-F791 AromaticContact CE2-CD2 3.94Å; F771-F791 HydrophobicContact CE2-CD2 3.94Å; F771-F791 HydrophobicContact CE2-CG 4.22Å; F771-F791 HydrophobicContact CZ-CB 4.16Å; F771-F791 AromaticContact CZ-CD2 3.62Å; F771-F791 HydrophobicContact CZ-CD2 3.62Å; F771-F791 HydrophobicContact CZ-CG 4.34Å; I787-F791 WeakPolarHBondContact O-CB 3.47Å; I787-F791 PolarHBondContact O-N 3.47Å; I788-F791 WeakPolarHBondContact O-CB 3.44Å; I788-F791 PolarHBondContact O-N 2.99Å; A789-F791 PolarHBondContact O-N 2.77Å; F791-L793 VanDerWaalsContact C-N 3.31Å; F791-L793 PolarHBondContact O-N 3.02Å; F791-T794 PolarHBondContact O-N 3.12Å; F791-T794 VanDerWaalsContact O-N 3.14Å; F791-T794 PolarHBondContact O-OG1 2.95Å; F791-M795 HydrophobicContact CD2-CE 4.37Å; F791-M795 HydrophobicContact CE1-CG 4.29Å; F791-M795 HydrophobicContact CE2-CE 3.43Å; F791-M795 VanDerWaalsContact CE2-CE 3.43Å; F791-M795 HydrophobicContact CE2-CG 4.31Å; F791-M795 HydrophobicContact CZ-CE 3.6Å; F791-M795 HydrophobicContact CZ-CG 4.09Å; F791-M795 PolarHBondContact O-N 2.8Å |
| 792 | V | 96.9 | Very high | 93.5 | Very high | 74 Ų | 74 | 49.6 Ų | 49.6 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59 | -44.8 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | I788 A789 T794 M795 V796 | I788-V792 WeakPolarHBondContact O-CG2 3.23Å; I788-V792 PolarHBondContact O-N 3.39Å; A789-V792 PolarHBondContact O-N 3.23Å; V792-T794 VanDerWaalsContact C-N 3.35Å; V792-T794 PolarHBondContact O-N 3.44Å; V792-M795 PolarHBondContact O-N 3.47Å; V792-V796 HydrophobicContact CG1-CG2 4.13Å; V792-V796 WeakPolarHBondContact O-CB 3.31Å; V792-V796 VanDerWaalsContact O-CG2 3.27Å; V792-V796 WeakPolarHBondContact O-CG2 3.11Å; V792-V796 PolarHBondContact O-N 3.13Å |
| 793 | L | 96.4 | Very high | 93.7 | Very high | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.4 | -46 | 175.6 | -179.6 | 61.1 | 0 | 0 | 0 | 111.6 | Y152 I155 I156 I159 A789 Y790 F791 M795 V796 T797 | Y152-L793 HydrophobicContact CD2-CD2 4.11Å; Y152-L793 HydrophobicContact CE2-CB 3.96Å; Y152-L793 HydrophobicContact CE2-CD2 3.88Å; Y152-L793 HydrophobicContact CE2-CG 4.48Å; I155-L793 HydrophobicContact CG2-CD2 3.94Å; I156-L793 HydrophobicContact CD1-CD1 4.3Å; I156-L793 HydrophobicContact CG1-CD1 3.69Å; I156-L793 HydrophobicContact CG1-CD2 4.11Å; I159-L793 HydrophobicContact CD1-CD1 4.03Å; I159-L793 HydrophobicContact CD1-CD2 4.34Å; I159-L793 HydrophobicContact CD1-CG 4.38Å; A789-L793 WeakPolarHBondContact O-CB 3.41Å; A789-L793 PolarHBondContact O-N 3.02Å; Y790-L793 HydrophobicContact CD1-CD2 4.1Å; Y790-L793 HydrophobicContact CE1-CD2 4.32Å; Y790-L793 WeakPolarHBondContact O-CB 3.35Å; Y790-L793 PolarHBondContact O-N 3.47Å; F791-L793 VanDerWaalsContact C-N 3.31Å; F791-L793 PolarHBondContact O-N 3.02Å; L793-M795 PolarHBondContact O-N 3.15Å; L793-V796 PolarHBondContact O-N 3.4Å; L793-T797 HydrophobicContact CD1-CG2 4.05Å; L793-T797 HydrophobicContact CG-CG2 4.36Å; L793-T797 VanDerWaalsContact O-CG2 3.27Å; L793-T797 WeakPolarHBondContact O-CG2 2.85Å; L793-T797 PolarHBondContact O-N 3.35Å; L793-T797 PolarHBondContact O-OG1 2.7Å |
| 794 | T | 96.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -47.6 | 177.6 | 68.1 | 0 | 0 | 0 | 0 | 111.9 | S767 F771 Y790 F791 V792 V796 T797 I798 | S767-T794 VanDerWaalsContact C-CG2 3.49Å; S767-T794 VanDerWaalsContact O-CG2 3.24Å; S767-T794 WeakPolarHBondContact O-CG2 3.5Å; F771-T794 HydrophobicContact CB-CG2 3.36Å; F771-T794 HydrophobicContact CD1-CG2 4.21Å; F771-T794 HydrophobicContact CG-CG2 3.87Å; Y790-T794 WeakPolarHBondContact O-CG2 3.36Å; Y790-T794 PolarHBondContact O-N 2.89Å; F791-T794 PolarHBondContact O-N 3.12Å; F791-T794 VanDerWaalsContact O-N 3.14Å; F791-T794 PolarHBondContact O-OG1 2.95Å; V792-T794 VanDerWaalsContact C-N 3.35Å; V792-T794 PolarHBondContact O-N 3.44Å; T794-V796 PolarHBondContact O-N 2.89Å; T794-T797 WeakPolarHBondContact CA-OG1 3.16Å; T794-T797 PolarHBondContact O-N 3.26Å; T794-T797 PolarHBondContact O-OG1 3.32Å; T794-I798 VanDerWaalsContact O-CG1 3.28Å; T794-I798 WeakPolarHBondContact O-CG1 3.06Å; T794-I798 PolarHBondContact O-N 2.98Å |
| 795 | M | 96.6 | Very high | 93.4 | Very high | 85 Ų | 85 | 49 Ų | 49 | 42% | 0.419 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 179.5 | -69.4 | -61.8 | 172.5 | 0 | 0 | 111.4 | F791 V792 L793 T797 I798 I799 | F791-M795 HydrophobicContact CD2-CE 4.37Å; F791-M795 HydrophobicContact CE1-CG 4.29Å; F791-M795 HydrophobicContact CE2-CE 3.43Å; F791-M795 VanDerWaalsContact CE2-CE 3.43Å; F791-M795 HydrophobicContact CE2-CG 4.31Å; F791-M795 HydrophobicContact CZ-CE 3.6Å; F791-M795 HydrophobicContact CZ-CG 4.09Å; F791-M795 PolarHBondContact O-N 2.8Å; V792-M795 PolarHBondContact O-N 3.47Å; L793-M795 PolarHBondContact O-N 3.15Å; M795-T797 PolarHBondContact O-N 2.92Å; M795-I798 PolarHBondContact O-N 3.28Å; M795-I799 WeakPolarHBondContact O-CB 3.38Å; M795-I799 VanDerWaalsContact O-CG1 3.23Å; M795-I799 WeakPolarHBondContact O-CG1 3.37Å; M795-I799 PolarHBondContact O-N 2.84Å |
| 796 | V | 96.4 | Very high | 92.9 | Very high | 66 Ų | 66 | 48 Ų | 48 | 40% | 0.4 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 111 | V792 L793 T794 I798 I799 I800 | V792-V796 HydrophobicContact CG1-CG2 4.13Å; V792-V796 WeakPolarHBondContact O-CB 3.31Å; V792-V796 VanDerWaalsContact O-CG2 3.27Å; V792-V796 WeakPolarHBondContact O-CG2 3.11Å; V792-V796 PolarHBondContact O-N 3.13Å; L793-V796 PolarHBondContact O-N 3.4Å; T794-V796 PolarHBondContact O-N 2.89Å; V796-I798 VanDerWaalsContact C-N 3.35Å; V796-I798 PolarHBondContact O-N 3.03Å; V796-I799 PolarHBondContact O-N 2.79Å; V796-I800 HydrophobicContact CG1-CD1 3.52Å; V796-I800 HydrophobicContact CG1-CG1 4.21Å; V796-I800 WeakPolarHBondContact O-CB 3.32Å; V796-I800 VanDerWaalsContact O-CG1 3.27Å; V796-I800 WeakPolarHBondContact O-CG1 3.19Å; V796-I800 PolarHBondContact O-N 2.91Å |
| 797 | T | 95.7 | Very high | 92 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 177.7 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | I159 S767 L793 T794 M795 S801 | I159-T797 HydrophobicContact CD1-CG2 3.65Å; I159-T797 HydrophobicContact CG1-CG2 4.43Å; I159-T797 HydrophobicContact CG2-CG2 4.06Å; S767-T797 PolarHBondContact OG-OG1 2.88Å; L793-T797 HydrophobicContact CD1-CG2 4.05Å; L793-T797 HydrophobicContact CG-CG2 4.36Å; L793-T797 VanDerWaalsContact O-CG2 3.27Å; L793-T797 WeakPolarHBondContact O-CG2 2.85Å; L793-T797 PolarHBondContact O-N 3.35Å; L793-T797 PolarHBondContact O-OG1 2.7Å; T794-T797 WeakPolarHBondContact CA-OG1 3.16Å; T794-T797 PolarHBondContact O-N 3.26Å; T794-T797 PolarHBondContact O-OG1 3.32Å; M795-T797 PolarHBondContact O-N 2.92Å; T797-S801 WeakPolarHBondContact O-CB 3.34Å; T797-S801 PolarHBondContact O-N 3.28Å; T797-S801 PolarHBondContact O-OG 3.45Å |
| 798 | I | 95.8 | Very high | 91 | Very high | 58 Ų | 58 | 53.3 Ų | 53.3 | 30% | 0.297 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.5 | -48.7 | 177.8 | -68.2 | 166.6 | 0 | 0 | 0 | 109.7 | C764 T794 M795 V796 I800 S801 V802 | C764-I798 HydrophobicContact CB-CG1 4.24Å; T794-I798 VanDerWaalsContact O-CG1 3.28Å; T794-I798 WeakPolarHBondContact O-CG1 3.06Å; T794-I798 PolarHBondContact O-N 2.98Å; M795-I798 PolarHBondContact O-N 3.28Å; V796-I798 VanDerWaalsContact C-N 3.35Å; V796-I798 PolarHBondContact O-N 3.03Å; I798-I800 PolarHBondContact O-N 3.18Å; I798-S801 PolarHBondContact O-N 3.23Å; I798-V802 HydrophobicContact CG2-CG2 4.44Å; I798-V802 WeakPolarHBondContact O-CB 3.38Å; I798-V802 VanDerWaalsContact O-CG2 3.29Å; I798-V802 WeakPolarHBondContact O-CG2 3.39Å; I798-V802 PolarHBondContact O-N 3.35Å |
| 799 | I | 96 | Very high | 89.5 | Confident | 98 Ų | 98 | 55 Ų | 55 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60 | -49.5 | 179.1 | -69.1 | 166.3 | 0 | 0 | 0 | 110.5 | M795 V796 S801 V802 I803 | M795-I799 WeakPolarHBondContact O-CB 3.38Å; M795-I799 VanDerWaalsContact O-CG1 3.23Å; M795-I799 WeakPolarHBondContact O-CG1 3.37Å; M795-I799 PolarHBondContact O-N 2.84Å; V796-I799 PolarHBondContact O-N 2.79Å; I799-S801 VanDerWaalsContact C-N 3.34Å; I799-S801 PolarHBondContact O-N 3.48Å; I799-V802 PolarHBondContact O-N 2.83Å; I799-I803 HydrophobicContact CG2-CD1 3.62Å; I799-I803 HydrophobicContact CG2-CG1 4.32Å; I799-I803 WeakPolarHBondContact O-CB 3.24Å; I799-I803 VanDerWaalsContact O-CG1 3.27Å; I799-I803 WeakPolarHBondContact O-CG1 3.47Å; I799-I803 PolarHBondContact O-N 2.96Å |
| 800 | I | 93.8 | Very high | 87.7 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 178.1 | -67.5 | 172.4 | 0 | 0 | 0 | 110.7 | L163 V796 I798 V802 I803 F804 | L163-I800 HydrophobicContact CD1-CG2 3.65Å; V796-I800 HydrophobicContact CG1-CD1 3.52Å; V796-I800 HydrophobicContact CG1-CG1 4.21Å; V796-I800 WeakPolarHBondContact O-CB 3.32Å; V796-I800 VanDerWaalsContact O-CG1 3.27Å; V796-I800 WeakPolarHBondContact O-CG1 3.19Å; V796-I800 PolarHBondContact O-N 2.91Å; I798-I800 PolarHBondContact O-N 3.18Å; I800-V802 VanDerWaalsContact C-N 3.35Å; I800-V802 PolarHBondContact O-N 3.34Å; I800-I803 PolarHBondContact O-N 3.3Å; I800-F804 WeakPolarHBondContact O-CB 3.27Å; I800-F804 PolarHBondContact O-N 3.21Å |
| 801 | S | 93 | Very high | 85.6 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 6% | 0.056 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 178.5 | -63.9 | 0 | 0 | 0 | 0 | 112.5 | T797 I798 I799 S805 | T797-S801 WeakPolarHBondContact O-CB 3.34Å; T797-S801 PolarHBondContact O-N 3.28Å; T797-S801 PolarHBondContact O-OG 3.45Å; I798-S801 PolarHBondContact O-N 3.23Å; I799-S801 VanDerWaalsContact C-N 3.34Å; I799-S801 PolarHBondContact O-N 3.48Å; S801-S805 VanDerWaalsContact O-CB 3.28Å; S801-S805 WeakPolarHBondContact O-CB 3.39Å; S801-S805 PolarHBondContact O-N 3.43Å |
| 802 | V | 91.5 | Very high | 83.3 | Confident | 92 Ų | 92 | 59.7 Ų | 59.7 | 56% | 0.558 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.9 | -47.6 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | I798 I799 I800 F804 S805 A806 | I798-V802 HydrophobicContact CG2-CG2 4.44Å; I798-V802 WeakPolarHBondContact O-CB 3.38Å; I798-V802 VanDerWaalsContact O-CG2 3.29Å; I798-V802 WeakPolarHBondContact O-CG2 3.39Å; I798-V802 PolarHBondContact O-N 3.35Å; I799-V802 PolarHBondContact O-N 2.83Å; I800-V802 VanDerWaalsContact C-N 3.35Å; I800-V802 PolarHBondContact O-N 3.34Å; V802-F804 VanDerWaalsContact C-N 3.31Å; V802-F804 PolarHBondContact O-N 3.27Å; V802-S805 PolarHBondContact O-N 2.91Å; V802-A806 VanDerWaalsContact O-CB 3.28Å; V802-A806 WeakPolarHBondContact O-CB 3.23Å; V802-A806 PolarHBondContact O-N 3.38Å |
| 803 | I | 90.2 | Very high | 80.7 | Confident | 106 Ų | 106 | 57.7 Ų | 57.7 | 54% | 0.544 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 176 | -69.8 | 169.7 | 0 | 0 | 0 | 109.8 | I799 I800 A806 F807 | I799-I803 HydrophobicContact CG2-CD1 3.62Å; I799-I803 HydrophobicContact CG2-CG1 4.32Å; I799-I803 WeakPolarHBondContact O-CB 3.24Å; I799-I803 VanDerWaalsContact O-CG1 3.27Å; I799-I803 WeakPolarHBondContact O-CG1 3.47Å; I799-I803 PolarHBondContact O-N 2.96Å; I800-I803 PolarHBondContact O-N 3.3Å; I803-A806 PolarHBondContact O-N 3.31Å; I803-F807 WeakPolarHBondContact O-CB 3.08Å; I803-F807 PolarHBondContact O-N 2.83Å |
| 804 | F | 86.3 | Confident | 77.9 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 179.3 | -161.7 | -98.9 | 0 | 0 | 0 | 111.7 | T166 F170 L760 I800 V802 A806 F807 V808 | T166-F804 HydrophobicContact CG2-CD1 4.49Å; T166-F804 HydrophobicContact CG2-CE1 3.75Å; F170-F804 HydrophobicContact CD2-CD1 4.41Å; F170-F804 AromaticContact CD2-CE1 3.49Å; F170-F804 HydrophobicContact CD2-CE1 3.49Å; F170-F804 VanDerWaalsContact CD2-CE1 3.49Å; F170-F804 HydrophobicContact CD2-CZ 4.06Å; F170-F804 HydrophobicContact CE2-CD1 4.02Å; F170-F804 AromaticContact CE2-CE1 3.46Å; F170-F804 HydrophobicContact CE2-CE1 3.46Å; F170-F804 VanDerWaalsContact CE2-CE1 3.46Å; F170-F804 HydrophobicContact CE2-CZ 4.45Å; L760-F804 HydrophobicContact CD1-CD1 4.01Å; L760-F804 HydrophobicContact CD2-CD1 4.31Å; I800-F804 WeakPolarHBondContact O-CB 3.27Å; I800-F804 PolarHBondContact O-N 3.21Å; V802-F804 VanDerWaalsContact C-N 3.31Å; V802-F804 PolarHBondContact O-N 3.27Å; F804-A806 VanDerWaalsContact C-N 3.3Å; F804-A806 PolarHBondContact O-N 2.91Å; F804-F807 PolarHBondContact O-N 3.4Å; F804-V808 HydrophobicContact CD1-CG2 4.24Å; F804-V808 HydrophobicContact CE1-CG2 4.29Å; F804-V808 WeakPolarHBondContact O-CB 3.37Å; F804-V808 WeakPolarHBondContact O-CG2 3.45Å; F804-V808 PolarHBondContact O-N 2.76Å |
| 805 | S | 83.8 | Confident | 75.1 | Confident | 22 Ų | 22 | 63.4 Ų | 63.4 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.1 | -34.4 | 174.4 | 179.8 | 0 | 0 | 0 | 0 | 112.6 | R757 S801 V802 K809 | R757-S805 VanDerWaalsContact CZ-OG 3.28Å; R757-S805 PolarHBondContact NE-OG 3.47Å; R757-S805 PolarHBondContact NH2-OG 2.92Å; S801-S805 VanDerWaalsContact O-CB 3.28Å; S801-S805 WeakPolarHBondContact O-CB 3.39Å; S801-S805 PolarHBondContact O-N 3.43Å; V802-S805 PolarHBondContact O-N 2.91Å; S805-K809 PolarHBondContact O-N 3.04Å |
| 806 | A | 80.8 | Confident | 72.3 | Confident | 52 Ų | 52 | 60.2 Ų | 60.2 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -73.8 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V802 I803 F804 V808 K809 Y810 | V802-A806 VanDerWaalsContact O-CB 3.28Å; V802-A806 WeakPolarHBondContact O-CB 3.23Å; V802-A806 PolarHBondContact O-N 3.38Å; I803-A806 PolarHBondContact O-N 3.31Å; F804-A806 VanDerWaalsContact C-N 3.3Å; F804-A806 PolarHBondContact O-N 2.91Å; A806-V808 VanDerWaalsContact C-N 3.32Å; A806-V808 PolarHBondContact O-N 3.47Å; A806-K809 CarbonylContact O-C 3.6Å; A806-K809 WeakPolarHBondContact O-CA 3.4Å; A806-K809 WeakPolarHBondContact O-CB 3.42Å; A806-K809 PolarHBondContact O-N 3.06Å; A806-K809 VanDerWaalsContact O-N 3.08Å; A806-Y810 WeakPolarHBondContact O-CB 3.33Å; A806-Y810 PolarHBondContact O-N 3.36Å |
| 807 | F | 73.5 | Confident | 69.3 | Low | 108 Ų | 108 | 59.1 Ų | 59.1 | 47% | 0.474 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 174.4 | -177.1 | -92.3 | 0 | 0 | 0 | 110.8 | I803 F804 K809 Y810 H811 | I803-F807 WeakPolarHBondContact O-CB 3.08Å; I803-F807 PolarHBondContact O-N 2.83Å; F804-F807 PolarHBondContact O-N 3.4Å; F807-K809 PolarHBondContact O-N 2.91Å; F807-Y810 CarbonylContact O-C 3.52Å; F807-Y810 PolarHBondContact O-N 3.03Å; F807-H811 AromaticContact CD1-CD2 3.59Å; F807-H811 AromaticContact CD2-CD2 3.46Å; F807-H811 VanDerWaalsContact CD2-CD2 3.46Å; F807-H811 WeakPolarHBondContact CD2-CD2 3.26Å; F807-H811 AromaticContact CD2-NE2 3.84Å; F807-H811 HydrophobicContact CE1-CB 4.39Å; F807-H811 AromaticContact CE1-CD2 3.2Å; F807-H811 WeakPolarHBondContact CE1-CD2 3.29Å; F807-H811 AromaticContact CE1-CG 3.81Å; F807-H811 AromaticContact CE1-NE2 3.76Å; F807-H811 AromaticContact CE2-CD2 3.08Å; F807-H811 WeakPolarHBondContact CE2-CD2 3.34Å; F807-H811 AromaticContact CE2-NE2 3.03Å; F807-H811 WeakPolarHBondContact CE2-NE2 3.43Å; F807-H811 AromaticContact CG-CD2 3.72Å; F807-H811 AromaticContact CZ-CD2 2.96Å; F807-H811 WeakPolarHBondContact CZ-CD2 3.02Å; F807-H811 AromaticContact CZ-CE1 3.9Å; F807-H811 AromaticContact CZ-CG 3.86Å; F807-H811 AromaticContact CZ-NE2 3Å; F807-H811 WeakPolarHBondContact CZ-NE2 3.08Å; F807-H811 WeakPolarHBondContact O-CB 3.33Å; F807-H811 PolarHBondContact O-N 3.22Å |
| 808 | V | 68.8 | Low | 66.5 | Low | 9 Ų | 9 | 59.9 Ų | 59.9 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 173.2 | 166.9 | 0 | 0 | 0 | 0 | 111 | F170 F804 A806 Y810 L812 | F170-V808 HydrophobicContact CD1-CG1 3.75Å; F170-V808 HydrophobicContact CD1-CG2 3.96Å; F170-V808 HydrophobicContact CD2-CG2 3.53Å; F170-V808 HydrophobicContact CE1-CB 4.18Å; F170-V808 HydrophobicContact CE1-CG1 3.29Å; F170-V808 HydrophobicContact CE1-CG2 3.82Å; F170-V808 HydrophobicContact CE2-CB 4.4Å; F170-V808 HydrophobicContact CE2-CG1 4.34Å; F170-V808 HydrophobicContact CE2-CG2 3.34Å; F170-V808 HydrophobicContact CG-CG1 4.47Å; F170-V808 HydrophobicContact CG-CG2 3.84Å; F170-V808 HydrophobicContact CZ-CB 4.1Å; F170-V808 HydrophobicContact CZ-CG1 3.62Å; F170-V808 HydrophobicContact CZ-CG2 3.5Å; F804-V808 HydrophobicContact CD1-CG2 4.24Å; F804-V808 HydrophobicContact CE1-CG2 4.29Å; F804-V808 WeakPolarHBondContact O-CB 3.37Å; F804-V808 WeakPolarHBondContact O-CG2 3.45Å; F804-V808 PolarHBondContact O-N 2.76Å; A806-V808 VanDerWaalsContact C-N 3.32Å; A806-V808 PolarHBondContact O-N 3.47Å; V808-Y810 VanDerWaalsContact C-N 3.26Å; V808-Y810 PolarHBondContact O-N 2.93Å; V808-L812 WeakPolarHBondContact O-CB 3.24Å; V808-L812 PolarHBondContact O-N 3.28Å |
| 809 | K | 63.6 | Low | 63.6 | Low | 132 Ų | 132 | 58.7 Ų | 58.7 | 57% | 0.574 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.9 | -34.8 | 177.6 | -169.1 | -177 | 176.6 | -170.9 | 0 | 111.6 | S805 A806 F807 S813 | S805-K809 PolarHBondContact O-N 3.04Å; A806-K809 CarbonylContact O-C 3.6Å; A806-K809 WeakPolarHBondContact O-CA 3.4Å; A806-K809 WeakPolarHBondContact O-CB 3.42Å; A806-K809 PolarHBondContact O-N 3.06Å; A806-K809 VanDerWaalsContact O-N 3.08Å; F807-K809 PolarHBondContact O-N 2.91Å; K809-S813 PolarHBondContact O-N 3.23Å |
| 810 | Y | 55.7 | Low | 60.6 | Low | 128 Ų | 128 | 55.9 Ų | 55.9 | 50% | 0.502 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -84 | -36.9 | -179.5 | -174.9 | -93.2 | 0 | 0 | 0 | 113.7 | A806 F807 V808 S813 S814 | A806-Y810 WeakPolarHBondContact O-CB 3.33Å; A806-Y810 PolarHBondContact O-N 3.36Å; F807-Y810 CarbonylContact O-C 3.52Å; F807-Y810 PolarHBondContact O-N 3.03Å; V808-Y810 VanDerWaalsContact C-N 3.26Å; V808-Y810 PolarHBondContact O-N 2.93Å; Y810-S813 CarbonylContact O-C 3.52Å; Y810-S813 WeakPolarHBondContact O-CA 3.32Å; Y810-S813 WeakPolarHBondContact O-CB 3.48Å; Y810-S813 PolarHBondContact O-N 3.43Å; Y810-S813 VanDerWaalsContact O-N 3.1Å; Y810-S814 PolarHBondContact O-N 3.01Å |
| 811 | H | 50.9 | Low | 57.7 | Low | 63 Ų | 63 | 54.7 Ų | 54.7 | 29% | 0.292 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -73.2 | -34.1 | 173.2 | -94.3 | -79.2 | 0 | 0 | 0 | 111.3 | F807 S813 S814 L815 | F807-H811 AromaticContact CD1-CD2 3.59Å; F807-H811 AromaticContact CD2-CD2 3.46Å; F807-H811 VanDerWaalsContact CD2-CD2 3.46Å; F807-H811 WeakPolarHBondContact CD2-CD2 3.26Å; F807-H811 AromaticContact CD2-NE2 3.84Å; F807-H811 HydrophobicContact CE1-CB 4.39Å; F807-H811 AromaticContact CE1-CD2 3.2Å; F807-H811 WeakPolarHBondContact CE1-CD2 3.29Å; F807-H811 AromaticContact CE1-CG 3.81Å; F807-H811 AromaticContact CE1-NE2 3.76Å; F807-H811 AromaticContact CE2-CD2 3.08Å; F807-H811 WeakPolarHBondContact CE2-CD2 3.34Å; F807-H811 AromaticContact CE2-NE2 3.03Å; F807-H811 WeakPolarHBondContact CE2-NE2 3.43Å; F807-H811 AromaticContact CG-CD2 3.72Å; F807-H811 AromaticContact CZ-CD2 2.96Å; F807-H811 WeakPolarHBondContact CZ-CD2 3.02Å; F807-H811 AromaticContact CZ-CE1 3.9Å; F807-H811 AromaticContact CZ-CG 3.86Å; F807-H811 AromaticContact CZ-NE2 3Å; F807-H811 WeakPolarHBondContact CZ-NE2 3.08Å; F807-H811 WeakPolarHBondContact O-CB 3.33Å; F807-H811 PolarHBondContact O-N 3.22Å; H811-S813 PolarHBondContact O-N 2.97Å; H811-S814 PolarHBondContact O-N 3.1Å; H811-S814 VanDerWaalsContact O-N 3.12Å; H811-L815 HydrophobicContact CB-CD1 4.2Å; H811-L815 WeakPolarHBondContact O-CB 3.38Å; H811-L815 PolarHBondContact O-N 3.27Å |
| 812 | L | 47.8 | Very low | 54.8 | Low | 13 Ų | 13 | 57.6 Ų | 57.6 | 7% | 0.068 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -52.7 | -44.7 | 163.5 | 179.4 | 67.5 | 0 | 0 | 0 | 109.8 | Y174 I423 L749 L753 V808 I816 | Y174-L812 HydrophobicContact CE1-CD1 3.98Å; Y174-L812 WeakPolarHBondContact OH-CD1 3.17Å; I423-L812 HydrophobicContact CD1-CD2 3.93Å; I423-L812 HydrophobicContact CD1-CG 4.4Å; I423-L812 HydrophobicContact CG1-CD2 4.42Å; I423-L812 HydrophobicContact CG2-CD2 3.91Å; L749-L812 HydrophobicContact CD2-CD1 4.46Å; L753-L812 HydrophobicContact CD1-CD1 3.53Å; L753-L812 HydrophobicContact CD1-CD2 3.92Å; L753-L812 HydrophobicContact CD1-CG 4.33Å; V808-L812 WeakPolarHBondContact O-CB 3.24Å; V808-L812 PolarHBondContact O-N 3.28Å; L812-I816 HydrophobicContact CD1-CD1 3.46Å; L812-I816 VanDerWaalsContact CD1-CD1 3.46Å; L812-I816 HydrophobicContact CD1-CG1 4.43Å; L812-I816 HydrophobicContact CG-CD1 3.92Å; L812-I816 WeakPolarHBondContact O-CB 3.26Å; L812-I816 WeakPolarHBondContact O-CD1 3.32Å; L812-I816 WeakPolarHBondContact O-CG1 3.48Å |
| 813 | S | 41.7 | Very low | 51.9 | Low | 31 Ų | 31 | 62.5 Ų | 62.5 | 22% | 0.217 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 173.6 | 166.2 | 0 | 0 | 0 | 0 | 114.4 | L418 K809 Y810 H811 | L418-S813 WeakPolarHBondContact CD1-OG 3.17Å; L418-S813 WeakPolarHBondContact CG-OG 3.3Å; K809-S813 PolarHBondContact O-N 3.23Å; Y810-S813 CarbonylContact O-C 3.52Å; Y810-S813 WeakPolarHBondContact O-CA 3.32Å; Y810-S813 WeakPolarHBondContact O-CB 3.48Å; Y810-S813 PolarHBondContact O-N 3.43Å; Y810-S813 VanDerWaalsContact O-N 3.1Å; H811-S813 PolarHBondContact O-N 2.97Å |
| 814 | S | 38.9 | Very low | 49.1 | Very low | 66 Ų | 66 | 62.9 Ų | 62.9 | 46% | 0.462 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -87.5 | -34.1 | -169.6 | -177.9 | 0 | 0 | 0 | 0 | 114.4 | Y810 H811 I816 | Y810-S814 PolarHBondContact O-N 3.01Å; H811-S814 PolarHBondContact O-N 3.1Å; H811-S814 VanDerWaalsContact O-N 3.12Å; S814-I816 VanDerWaalsContact C-N 3.28Å |
| 815 | L | 37 | Very low | 46.6 | Very low | 73 Ų | 73 | 65.4 Ų | 65.4 | 38% | 0.382 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -80.8 | -10.1 | 179.8 | -82.4 | 149.3 | 0 | 0 | 0 | 112.8 | C433 H811 C817 | C433-L815 PolarHBondContact SG-O 3.23Å; H811-L815 HydrophobicContact CB-CD1 4.2Å; H811-L815 WeakPolarHBondContact O-CB 3.38Å; H811-L815 PolarHBondContact O-N 3.27Å; L815-C817 PolarHBondContact O-N 3.27Å |
| 816 | I | 37.8 | Very low | 44.2 | Very low | 17 Ų | 17 | 67.1 Ų | 67.1 | 9% | 0.087 | 34% | 0.344 | C | S | . | . | trans | -80.7 | 20.1 | 176.5 | -80.3 | -177.5 | 0 | 0 | 0 | 112.2 | F421 I429 L812 S814 | F421-I816 HydrophobicContact CD2-CG2 3.89Å; I429-I816 HydrophobicContact CB-CG1 4.43Å; I429-I816 HydrophobicContact CD1-CB 4.38Å; I429-I816 HydrophobicContact CD1-CG2 3.64Å; I429-I816 VanDerWaalsContact CG2-O 3.3Å; I429-I816 WeakPolarHBondContact CG2-O 3.34Å; L812-I816 HydrophobicContact CD1-CD1 3.46Å; L812-I816 VanDerWaalsContact CD1-CD1 3.46Å; L812-I816 HydrophobicContact CD1-CG1 4.43Å; L812-I816 HydrophobicContact CG-CD1 3.92Å; L812-I816 WeakPolarHBondContact O-CB 3.26Å; L812-I816 WeakPolarHBondContact O-CD1 3.32Å; L812-I816 WeakPolarHBondContact O-CG1 3.48Å; S814-I816 VanDerWaalsContact C-N 3.28Å | ||
| 817 | C | 33.2 | Very low | 41.8 | Very low | 43 Ų | 43 | 66.4 Ų | 66.4 | 29% | 0.291 | 34% | 0.341 | S | S | . | . | trans | -77.3 | 126.8 | -177.7 | -157.6 | 0 | 0 | 0 | 0 | 112.5 | C433 L815 V819 | C433-C817 PolarHBondContact SG-O 3.16Å; L815-C817 PolarHBondContact O-N 3.27Å; C817-V819 PolarHBondContact O-N 3.47Å | ||
| 818 | P | 37.5 | Very low | 39.8 | Very low | 20 Ų | 20 | 65.8 Ų | 65.8 | 13% | 0.13 | 34% | 0.339 | C | S | . | . | trans | -81.4 | 96.8 | -177.1 | 30.2 | -31.8 | 0 | 0 | 0 | 112.2 | F421 S820 V821 | F421-P818 HydrophobicContact CE2-CG 4.24Å; F421-P818 HydrophobicContact CZ-CB 4.46Å; F421-P818 HydrophobicContact CZ-CG 4.41Å; P818-S820 VanDerWaalsContact C-N 3.26Å; P818-S820 PolarHBondContact O-N 3.17Å; P818-V821 HydrophobicContact CB-CG2 4.2Å; P818-V821 HydrophobicContact CG-CG2 4.17Å; P818-V821 WeakPolarHBondContact O-CB 2.69Å; P818-V821 PolarHBondContact O-N 3.48Å | ||
| 819 | V | 34.4 | Very low | 38.1 | Very low | 34 Ų | 34 | 69.7 Ų | 69.7 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.4 | -13.8 | 174.1 | 176.7 | 0 | 0 | 0 | 0 | 113.6 | Y432 C817 V821 C822 R823 | Y432-V819 VanDerWaalsContact C-CG2 3.43Å; Y432-V819 HydrophobicContact CD1-CB 4.15Å; Y432-V819 HydrophobicContact CG-CB 4.39Å; Y432-V819 WeakPolarHBondContact O-CB 3.32Å; Y432-V819 WeakPolarHBondContact O-CG1 3.28Å; Y432-V819 WeakPolarHBondContact O-CG2 3.47Å; C817-V819 PolarHBondContact O-N 3.47Å; V819-V821 PolarHBondContact O-N 2.99Å; V819-C822 HydrophobicContact CG1-CB 4.29Å; V819-C822 CarbonylContact O-C 3.56Å; V819-C822 WeakPolarHBondContact O-CA 3.48Å; V819-C822 WeakPolarHBondContact O-CB 3.23Å; V819-C822 PolarHBondContact O-N 3.22Å; V819-R823 PolarHBondContact O-N 3.37Å |
| 820 | S | 32.4 | Very low | 36.7 | Very low | 39 Ų | 39 | 71.9 Ų | 71.9 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -31.7 | 171.1 | 67.2 | 0 | 0 | 0 | 0 | 111.8 | P818 C822 K824 | P818-S820 VanDerWaalsContact C-N 3.26Å; P818-S820 PolarHBondContact O-N 3.17Å; S820-C822 VanDerWaalsContact C-N 3.34Å; S820-K824 VanDerWaalsContact O-CB 3.28Å; S820-K824 WeakPolarHBondContact O-CB 3.24Å; S820-K824 PolarHBondContact O-N 3.03Å |
| 821 | V | 34 | Very low | 35.7 | Very low | 45 Ų | 45 | 73.4 Ų | 73.4 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 167 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | L407 P818 V819 R823 Y825 | L407-V821 HydrophobicContact CB-CG2 4.21Å; L407-V821 HydrophobicContact CD1-CG2 3.86Å; P818-V821 HydrophobicContact CB-CG2 4.2Å; P818-V821 HydrophobicContact CG-CG2 4.17Å; P818-V821 WeakPolarHBondContact O-CB 2.69Å; P818-V821 PolarHBondContact O-N 3.48Å; V819-V821 PolarHBondContact O-N 2.99Å; V821-R823 PolarHBondContact O-N 2.93Å; V821-Y825 HydrophobicContact CG1-CD2 3.7Å; V821-Y825 HydrophobicContact CG1-CE2 3.95Å; V821-Y825 VanDerWaalsContact O-CB 3.29Å; V821-Y825 WeakPolarHBondContact O-CB 3.44Å; V821-Y825 WeakPolarHBondContact O-CD2 3.41Å; V821-Y825 PolarHBondContact O-N 3.33Å |
| 822 | C | 31.7 | Very low | 34.8 | Very low | 70 Ų | 70 | 75 Ų | 75 | 47% | 0.473 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.6 | -34.4 | 179.1 | -68.4 | 0 | 0 | 0 | 0 | 115.2 | V819 S820 Y825 S826 | V819-C822 HydrophobicContact CG1-CB 4.29Å; V819-C822 CarbonylContact O-C 3.56Å; V819-C822 WeakPolarHBondContact O-CA 3.48Å; V819-C822 WeakPolarHBondContact O-CB 3.23Å; V819-C822 PolarHBondContact O-N 3.22Å; S820-C822 VanDerWaalsContact C-N 3.34Å; C822-Y825 CarbonylContact O-C 3.54Å; C822-S826 WeakPolarHBondContact O-CA 3.49Å; C822-S826 WeakPolarHBondContact O-CB 3.25Å; C822-S826 PolarHBondContact O-N 3.01Å |
| 823 | R | 30.5 | Very low | 34.3 | Very low | 194 Ų | 194 | 79.9 Ų | 79.9 | 73% | 0.732 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -76.5 | -39.3 | 178.9 | -162.7 | -179.7 | -103.4 | -179.2 | -5.9 | 111 | V819 V821 Y825 S826 G827 | V819-R823 PolarHBondContact O-N 3.37Å; V821-R823 PolarHBondContact O-N 2.93Å; R823-Y825 VanDerWaalsContact C-N 3.3Å; R823-Y825 PolarHBondContact O-N 3.07Å; R823-S826 PolarHBondContact O-N 3.07Å; R823-G827 PolarHBondContact O-N 2.65Å; R823-G827 VanDerWaalsContact O-N 3.08Å |
| 824 | K | 31.2 | Very low | 34.4 | Very low | 115 Ų | 115 | 85.3 Ų | 85.3 | 50% | 0.5 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.1 | -34.3 | 174.2 | -156.8 | 170.1 | -170.2 | 172.8 | 0 | 111.4 | S820 H828 | S820-K824 VanDerWaalsContact O-CB 3.28Å; S820-K824 WeakPolarHBondContact O-CB 3.24Å; S820-K824 PolarHBondContact O-N 3.03Å; K824-H828 PolarHBondContact O-N 3.08Å; K824-H828 VanDerWaalsContact O-N 3.12Å |
| 825 | Y | 33.8 | Very low | 34.4 | Very low | 100 Ų | 100 | 91.6 Ų | 91.6 | 39% | 0.392 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -81.7 | -22.9 | 171.9 | -80.9 | -78.8 | 0 | 0 | 0 | 114.1 | R408 V821 C822 R823 G827 H828 Y829 | R408-Y825 VanDerWaalsContact CD-OH 3.31Å; R408-Y825 WeakPolarHBondContact CD-OH 3.35Å; R408-Y825 HydrophobicContact CG-CE2 4.27Å; R408-Y825 PolarHBondContact NE-OH 3.28Å; R408-Y825 VanDerWaalsContact NH2-CZ 3.33Å; R408-Y825 PolarHBondContact NH2-OH 2.98Å; V821-Y825 HydrophobicContact CG1-CD2 3.7Å; V821-Y825 HydrophobicContact CG1-CE2 3.95Å; V821-Y825 VanDerWaalsContact O-CB 3.29Å; V821-Y825 WeakPolarHBondContact O-CB 3.44Å; V821-Y825 WeakPolarHBondContact O-CD2 3.41Å; V821-Y825 PolarHBondContact O-N 3.33Å; C822-Y825 CarbonylContact O-C 3.54Å; R823-Y825 VanDerWaalsContact C-N 3.3Å; R823-Y825 PolarHBondContact O-N 3.07Å; Y825-G827 VanDerWaalsContact C-N 3.34Å; Y825-H828 HydrophobicContact CD1-CB 4.28Å; Y825-H828 PolarHBondContact O-N 3.2Å; Y825-Y829 WeakPolarHBondContact O-CA 3.46Å; Y825-Y829 WeakPolarHBondContact O-CB 3.28Å; Y825-Y829 PolarHBondContact O-N 3.48Å |
| 826 | S | 32.2 | Very low | 34.4 | Very low | 58 Ų | 58 | 93.7 Ų | 93.7 | 41% | 0.406 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 168.1 | 168.2 | 0 | 0 | 0 | 0 | 109.9 | C822 R823 Y829 R830 | C822-S826 WeakPolarHBondContact O-CA 3.49Å; C822-S826 WeakPolarHBondContact O-CB 3.25Å; C822-S826 PolarHBondContact O-N 3.01Å; R823-S826 PolarHBondContact O-N 3.07Å; S826-Y829 PolarHBondContact O-N 2.92Å; S826-R830 VanDerWaalsContact O-CB 3.32Å; S826-R830 WeakPolarHBondContact O-CB 3.27Å; S826-R830 PolarHBondContact O-N 2.98Å |
| 827 | G | 32.1 | Very low | 34.4 | Very low | 36 Ų | 36 | 102.2 Ų | 102.2 | 37% | 0.371 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R823 Y825 R830 K831 | R823-G827 PolarHBondContact O-N 2.65Å; R823-G827 VanDerWaalsContact O-N 3.08Å; Y825-G827 VanDerWaalsContact C-N 3.34Å; G827-R830 WeakPolarHBondContact O-CB 3.39Å; G827-R830 PolarHBondContact O-N 3.28Å; G827-K831 PolarHBondContact O-N 3.01Å |
| 828 | H | 30 | Very low | 34.5 | Very low | 96 Ų | 96 | 105.2 Ų | 105.2 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.1 | -33.2 | 176.5 | -108 | -70.7 | 0 | 0 | 0 | 113.4 | K824 Y825 K831 L832 | K824-H828 PolarHBondContact O-N 3.08Å; K824-H828 VanDerWaalsContact O-N 3.12Å; Y825-H828 HydrophobicContact CD1-CB 4.28Å; Y825-H828 PolarHBondContact O-N 3.2Å; H828-K831 PolarHBondContact O-N 2.84Å; H828-L832 PolarHBondContact O-N 2.98Å; H828-L832 VanDerWaalsContact O-N 3.1Å |
| 829 | Y | 32.8 | Very low | 34.4 | Very low | 90 Ų | 90 | 112.3 Ų | 112.3 | 35% | 0.353 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.8 | -35.6 | 175.7 | -163 | -93.8 | 0 | 0 | 0 | 110.6 | Y825 S826 K831 L832 I833 I841 | Y825-Y829 WeakPolarHBondContact O-CA 3.46Å; Y825-Y829 WeakPolarHBondContact O-CB 3.28Å; Y825-Y829 PolarHBondContact O-N 3.48Å; S826-Y829 PolarHBondContact O-N 2.92Å; Y829-K831 PolarHBondContact O-N 3.44Å; Y829-L832 PolarHBondContact O-N 3.42Å; Y829-I833 HydrophobicContact CD1-CD1 3.92Å; Y829-I833 HydrophobicContact CD1-CG1 4.01Å; Y829-I833 HydrophobicContact CE1-CD1 3.74Å; Y829-I833 HydrophobicContact CE1-CG1 3.73Å; Y829-I833 PolarHBondContact O-N 3.26Å; Y829-I841 HydrophobicContact CE2-CG2 3.98Å; Y829-I841 WeakPolarHBondContact OH-CG2 3.49Å |
| 830 | R | 35.3 | Very low | 34.2 | Very low | 179 Ų | 179 | 118.4 Ų | 118.4 | 68% | 0.675 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -56 | -36.3 | 169.4 | -151.6 | 179.6 | -74.3 | 177.4 | -7.8 | 111.5 | S826 G827 | S826-R830 VanDerWaalsContact O-CB 3.32Å; S826-R830 WeakPolarHBondContact O-CB 3.27Å; S826-R830 PolarHBondContact O-N 2.98Å; G827-R830 WeakPolarHBondContact O-CB 3.39Å; G827-R830 PolarHBondContact O-N 3.28Å |
| 831 | K | 34.1 | Very low | 34.2 | Very low | 159 Ų | 159 | 120.5 Ų | 120.5 | 69% | 0.691 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -76.7 | -24.8 | 172.6 | -77.4 | -170.6 | 175 | -173.9 | 0 | 114.8 | G827 H828 Y829 | G827-K831 PolarHBondContact O-N 3.01Å; H828-K831 PolarHBondContact O-N 2.84Å; Y829-K831 PolarHBondContact O-N 3.44Å |
| 832 | L | 33 | Very low | 34 | Very low | 98 Ų | 98 | 121.5 Ų | 121.5 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -83.1 | -27.6 | -179.6 | -89.9 | 153.7 | 0 | 0 | 0 | 112.8 | H828 Y829 D834 Y835 N836 | H828-L832 PolarHBondContact O-N 2.98Å; H828-L832 VanDerWaalsContact O-N 3.1Å; Y829-L832 PolarHBondContact O-N 3.42Å; L832-D834 PolarHBondContact O-N 3.29Å; L832-Y835 PolarHBondContact O-N 3.4Å; L832-N836 PolarHBondContact O-N 3.45Å |
| 833 | I | 36.8 | Very low | 34 | Very low | 115 Ų | 115 | 121.3 Ų | 121.3 | 59% | 0.59 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.5 | -37 | 172.1 | -68.9 | 175.2 | 0 | 0 | 0 | 110.8 | Y829 Y835 | Y829-I833 HydrophobicContact CD1-CD1 3.92Å; Y829-I833 HydrophobicContact CD1-CG1 4.01Å; Y829-I833 HydrophobicContact CE1-CD1 3.74Å; Y829-I833 HydrophobicContact CE1-CG1 3.73Å; Y829-I833 PolarHBondContact O-N 3.26Å; I833-Y835 PolarHBondContact O-N 2.92Å |
| 834 | D | 43 | Very low | 33.8 | Very low | 145 Ų | 145 | 114.9 Ų | 114.9 | 78% | 0.775 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -12.6 | 176.4 | -90.6 | -5 | 0 | 0 | 0 | 113.7 | L832 | L832-D834 PolarHBondContact O-N 3.29Š|
| 835 | Y | 39.4 | Very low | 33.8 | Very low | 198 Ų | 198 | 112.8 Ų | 112.8 | 78% | 0.776 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | -4.4 | -169.4 | -127.2 | -90.4 | 0 | 0 | 0 | 117 | L832 I833 | L832-Y835 PolarHBondContact O-N 3.4Å; I833-Y835 PolarHBondContact O-N 2.92Å |
| 836 | N | 37.4 | Very low | 33.5 | Very low | 116 Ų | 116 | 113.9 Ų | 113.9 | 62% | 0.62 | 58% | 0.58 | S | S | * | * | trans | -156 | 121.2 | 173 | -100.8 | -34.8 | 0 | 0 | 0 | 116.2 | L832 N838 | L832-N836 PolarHBondContact O-N 3.45Å; N836-N838 PolarHBondContact O-N 2.91Å | ||
| 837 | Q | 37.7 | Very low | 33.2 | Very low | 196 Ų | 196 | 116.4 Ų | 116.4 | 92% | 0.916 | 60% | 0.597 | S | S | * | * | trans | -74.6 | 46 | 170.6 | -68.4 | -178.7 | -31.6 | 0 | 0 | 113 | E839 | Q837-E839 PolarHBondContact O-N 2.92Š| ||
| 838 | N | 35.4 | Very low | 32.9 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 57% | 0.567 | 61% | 0.607 | S | S | * | * | trans | -84.8 | 96.4 | 174.9 | -99.1 | -17.1 | 0 | 0 | 0 | 110.5 | N836 M840 I841 | N836-N838 PolarHBondContact O-N 2.91Å; N838-M840 PolarHBondContact O-N 3.47Å; N838-I841 HydrophobicContact CB-CD1 4.46Å; N838-I841 HydrophobicContact CB-CG1 4.48Å; N838-I841 PolarHBondContact O-N 2.86Å | ||
| 839 | E | 34.5 | Very low | 32.8 | Very low | 169 Ų | 169 | 117.2 Ų | 117.2 | 79% | 0.79 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -49.9 | -27.1 | 177.5 | -78.8 | -176.8 | 139.9 | 0 | 0 | 114.1 | Q837 I841 S842 S843 | Q837-E839 PolarHBondContact O-N 2.92Å; E839-I841 PolarHBondContact O-N 3.11Å; E839-S842 WeakPolarHBondContact O-CB 3.24Å; E839-S842 PolarHBondContact O-N 3.41Å; E839-S843 PolarHBondContact O-N 3.4Å |
| 840 | M | 31.6 | Very low | 32.6 | Very low | 162 Ų | 162 | 118.4 Ų | 118.4 | 80% | 0.798 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.8 | -22.5 | 179.2 | -157.4 | 178.8 | -72.8 | 0 | 0 | 113 | N838 S843 | N838-M840 PolarHBondContact O-N 3.47Å; M840-S843 PolarHBondContact O-OG 2.98Å |
| 841 | I | 31.9 | Very low | 32.3 | Very low | 84 Ų | 84 | 118.9 Ų | 118.9 | 43% | 0.431 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -87.8 | -29.8 | 175.4 | -49.4 | -179.4 | 0 | 0 | 0 | 110.3 | Y829 N838 E839 S843 A844 V845 | Y829-I841 HydrophobicContact CE2-CG2 3.98Å; Y829-I841 WeakPolarHBondContact OH-CG2 3.49Å; N838-I841 HydrophobicContact CB-CD1 4.46Å; N838-I841 HydrophobicContact CB-CG1 4.48Å; N838-I841 PolarHBondContact O-N 2.86Å; E839-I841 PolarHBondContact O-N 3.11Å; I841-S843 PolarHBondContact O-N 2.99Å; I841-A844 PolarHBondContact O-N 3.12Å; I841-V845 WeakPolarHBondContact O-CG2 3.08Å; I841-V845 PolarHBondContact O-N 2.94Å |
| 842 | S | 30.1 | Very low | 32 | Very low | 65 Ų | 65 | 115.6 Ų | 115.6 | 46% | 0.455 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -58.8 | -45.9 | 173.9 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | E839 A844 V845 I846 | E839-S842 WeakPolarHBondContact O-CB 3.24Å; E839-S842 PolarHBondContact O-N 3.41Å; S842-A844 VanDerWaalsContact C-N 3.35Å; S842-A844 PolarHBondContact O-N 3.32Å; S842-V845 PolarHBondContact O-N 3.36Å; S842-V845 VanDerWaalsContact O-N 3.17Å; S842-I846 VanDerWaalsContact O-CG1 3.27Å; S842-I846 WeakPolarHBondContact O-CG1 3.49Å; S842-I846 PolarHBondContact O-N 3.47Å |
| 843 | S | 30.1 | Very low | 31.8 | Very low | 67 Ų | 67 | 121.3 Ų | 121.3 | 47% | 0.469 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.3 | -33.7 | -179 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | E839 M840 I841 C847 | E839-S843 PolarHBondContact O-N 3.4Å; M840-S843 PolarHBondContact O-OG 2.98Å; I841-S843 PolarHBondContact O-N 2.99Å; S843-C847 PolarHBondContact O-N 2.85Å |
| 844 | A | 28.2 | Very low | 31.4 | Very low | 59 Ų | 59 | 123 Ų | 123 | 49% | 0.488 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.7 | -32.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I841 S842 T848 | I841-A844 PolarHBondContact O-N 3.12Å; S842-A844 VanDerWaalsContact C-N 3.35Å; S842-A844 PolarHBondContact O-N 3.32Å; A844-T848 PolarHBondContact O-OG1 3.13Å |
| 845 | V | 29.6 | Very low | 30.6 | Very low | 71 Ų | 71 | 122.2 Ų | 122.2 | 43% | 0.43 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -80.8 | -36.2 | 179.2 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | I841 S842 C847 T848 | I841-V845 WeakPolarHBondContact O-CG2 3.08Å; I841-V845 PolarHBondContact O-N 2.94Å; S842-V845 PolarHBondContact O-N 3.36Å; S842-V845 VanDerWaalsContact O-N 3.17Å; V845-C847 PolarHBondContact O-N 3.22Å; V845-T848 PolarHBondContact O-N 2.83Å; V845-T848 PolarHBondContact O-OG1 3.34Å |
| 846 | I | 27.7 | Very low | 30 | Very low | 123 Ų | 123 | 118.8 Ų | 118.8 | 63% | 0.631 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -58.9 | -33.7 | 175.2 | -69.6 | 165.4 | 0 | 0 | 0 | 111.1 | S842 T848 | S842-I846 VanDerWaalsContact O-CG1 3.27Å; S842-I846 WeakPolarHBondContact O-CG1 3.49Å; S842-I846 PolarHBondContact O-N 3.47Å; I846-T848 VanDerWaalsContact C-N 3.33Å; I846-T848 PolarHBondContact O-N 3.39Å |
| 847 | C | 26.6 | Very low | 29.3 | Very low | 111 Ų | 111 | 118.2 Ų | 118.2 | 75% | 0.75 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -14.6 | 177.8 | -78.2 | 0 | 0 | 0 | 0 | 114.8 | S843 V845 | S843-C847 PolarHBondContact O-N 2.85Å; V845-C847 PolarHBondContact O-N 3.22Å |
| 848 | T | 26.4 | Very low | 28.8 | Very low | 96 Ų | 96 | 116.3 Ų | 116.3 | 59% | 0.589 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | -16.1 | -165 | 42 | 0 | 0 | 0 | 0 | 116.2 | A844 V845 I846 | A844-T848 PolarHBondContact O-OG1 3.13Å; V845-T848 PolarHBondContact O-N 2.83Å; V845-T848 PolarHBondContact O-OG1 3.34Å; I846-T848 VanDerWaalsContact C-N 3.33Å; I846-T848 PolarHBondContact O-N 3.39Å |
| 849 | C | 28.1 | Very low | 28.4 | Very low | 52 Ų | 52 | 117 Ų | 117 | 35% | 0.351 | 65% | 0.647 | S | S | . | * | trans | -163.7 | 85.5 | 176.1 | -139.7 | 0 | 0 | 0 | 0 | 115.9 | K851 | C849-K851 VanDerWaalsContact C-N 3.29Å; C849-K851 PolarHBondContact O-N 3.07Å | ||
| 850 | P | 28 | Very low | 28 | Very low | 115 Ų | 115 | 117.2 Ų | 117.2 | 75% | 0.747 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -67.2 | -25.7 | 178.5 | -19.4 | 31.1 | 0 | 0 | 0 | 114.2 | ||
| 851 | K | 28.9 | Very low | 27.7 | Very low | 190 Ų | 190 | 119.2 Ų | 119.2 | 83% | 0.826 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -91.2 | -10.1 | -167.9 | -114.6 | -179.5 | 179.2 | -178.2 | 0 | 115.7 | C849 | C849-K851 VanDerWaalsContact C-N 3.29Å; C849-K851 PolarHBondContact O-N 3.07Å |
| 852 | L | 28.3 | Very low | 27.3 | Very low | 90 Ų | 90 | 121.8 Ų | 121.8 | 47% | 0.471 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -91.6 | -6.5 | 178.5 | -137.1 | 92.5 | 0 | 0 | 0 | 113.3 | L854 | L852-L854 VanDerWaalsContact C-N 3.27Å; L852-L854 PolarHBondContact O-N 2.95Å |
| 853 | Y | 27.4 | Very low | 26.9 | Very low | 217 Ų | 217 | 128.3 Ų | 128.3 | 85% | 0.851 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -73.2 | -18.2 | 177.3 | -164.9 | -96.7 | 0 | 0 | 0 | 112.8 | ||
| 854 | L | 28.6 | Very low | 26.5 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -96.7 | -26.7 | -178.4 | -104.1 | 92 | 0 | 0 | 0 | 115.2 | L852 | L852-L854 VanDerWaalsContact C-N 3.27Å; L852-L854 PolarHBondContact O-N 2.95Å |
| 855 | D | 27.1 | Very low | 26.2 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -118.3 | 87.9 | -173.6 | -71.7 | -25.2 | 0 | 0 | 0 | 110 | ||
| 856 | T | 26.2 | Very low | 25.9 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | trans | 172.1 | 76.2 | 145.4 | 32.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 857 | S | 22.3 | Very low | 25.6 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -72.4 | 152.8 | 135.5 | 50.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 858 | I | 27 | Very low | 25.5 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 80% | 0.795 | 73% | 0.725 | S | S | * | * | trans | 110.8 | 87.4 | 172 | -51.4 | 159 | 0 | 0 | 0 | 116.2 | ||||
| 859 | T | 28.1 | Very low | 25.3 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | trans | 25.3 | 124.5 | 134.4 | 56.1 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 860 | E | 25.3 | Very low | 25.2 | Very low | 175 Ų | 175 | 153 Ų | 153 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | 29.7 | 127.7 | 127.7 | -70.8 | 177.8 | 151.4 | 0 | 0 | 123.7 | |||||
| 861 | K | 25.2 | Very low | 25.1 | Very low | 204 Ų | 204 | 157.1 Ų | 157.1 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | -179.4 | 158.1 | 125.1 | -95.6 | 168.4 | -171.8 | -177.1 | 0 | 113.8 | |||||
| 862 | D | 23.4 | Very low | 24.9 | Very low | 137 Ų | 137 | 157.8 Ų | 157.8 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -61 | 154 | -161 | -67.9 | -59.1 | 0 | 0 | 0 | 120.4 | ||||
| 863 | Y | 22.4 | Very low | 24.9 | Very low | 203 Ų | 203 | 164.9 Ų | 164.9 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | -145.7 | 114.2 | 152.2 | -77.8 | -81 | 0 | 0 | 0 | 111.5 | ||||
| 864 | T | 21.4 | Very low | 24.7 | Very low | 130 Ų | 130 | 162.3 Ų | 162.3 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | -121.1 | 125.4 | 170.6 | 36.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 865 | I | 22.3 | Very low | 24.5 | Very low | 122 Ų | 122 | 162.8 Ų | 162.8 | 63% | 0.626 | 81% | 0.812 | S | S | * | * | trans | -133.5 | 123.5 | 173.7 | -61.7 | 178.7 | 0 | 0 | 0 | 110.3 | I867 | I865-I867 HydrophobicContact CG2-CD1 4.44Å; I865-I867 HydrophobicContact CG2-CG1 4.41Å | ||
| 866 | P | 23.4 | Very low | 24.4 | Very low | 122 Ų | 122 | 164.8 Ų | 164.8 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | trans | -103.6 | 114.1 | 176.8 | 34.1 | -26.3 | 0 | 0 | 0 | 113.1 | ||||
| 867 | I | 22.1 | Very low | 24.3 | Very low | 147 Ų | 147 | 167 Ų | 167 | 75% | 0.754 | 82% | 0.821 | S | S | * | * | trans | -141.1 | 83.4 | 166.7 | -58.5 | 171.4 | 0 | 0 | 0 | 109 | I865 | I865-I867 HydrophobicContact CG2-CD1 4.44Å; I865-I867 HydrophobicContact CG2-CG1 4.41Å | ||
| 868 | L | 23.5 | Very low | 24.4 | Very low | 129 Ų | 129 | 170.9 Ų | 170.9 | 68% | 0.675 | 83% | 0.827 | S | S | * | * | trans | -153.3 | 88.6 | 170.4 | -89 | 166.1 | 0 | 0 | 0 | 109.4 | ||||
| 869 | R | 22.9 | Very low | 24.2 | Very low | 250 Ų | 250 | 172 Ų | 172 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | trans | -154.3 | 13.3 | 166.7 | -129.7 | -178.9 | -161.1 | 179.1 | 5.4 | 118.3 | ||||
| 870 | K | 24.6 | Very low | 24 | Very low | 197 Ų | 197 | 175.7 Ų | 175.7 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | trans | -126.2 | 26.5 | -167.8 | -125 | -176.6 | -177.7 | -174.6 | 0 | 119 | ||||
| 871 | F | 26.8 | Very low | 23.8 | Very low | 201 Ų | 201 | 175.8 Ų | 175.8 | 88% | 0.882 | 84% | 0.837 | S | S | * | * | trans | -123.1 | 88 | 163.9 | -80.8 | -80.5 | 0 | 0 | 0 | 109.4 | ||||
| 872 | K | 24 | Very low | 23.7 | Very low | 205 Ų | 205 | 173.4 Ų | 173.4 | 89% | 0.891 | 83% | 0.833 | S | S | * | * | trans | -157 | 63.9 | 169.8 | -141.4 | -171.2 | -169.1 | -169 | 0 | 108.4 | ||||
| 873 | L | 28.2 | Very low | 23.8 | Very low | 238 Ų | 238 | 176.7 Ų | 176.7 | 100% | 1.246 | 84% | 0.842 | S | S | * | * | trans | -177.7 | 0 | 169.2 | -104.2 | 144.7 | 0 | 0 | 0 | 105.5 |
Retrieved 873 of 873 residues in 1773.1 ms
(Link to these results)