| 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 | A | 28.9 | Very low | 50.8 | Low | 148 Ų | 148 | 91 Ų | 91 | 100% | 1.223 | 54% | 0.543 | S | S | * | . | 0 | 104.9 | 0 | 0 | 0 | 0 | 0 | 0 | 106.9 | M3 | A1-M3 PolarHBondContact O-N 2.63Å; A1-M3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | T | 27.8 | Very low | 52.3 | Low | 139 Ų | 139 | 96 Ų | 96 | 85% | 0.853 | 56% | 0.557 | S | S | * | * | trans | -59.2 | 109.5 | 175.2 | 39.9 | 0 | 0 | 0 | 0 | 108 | V4 | T2-V4 PolarHBondContact O-N 2.95Å; T2-V4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | M | 33.3 | Very low | 53.5 | Low | 151 Ų | 151 | 88.7 Ų | 88.7 | 74% | 0.744 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 119.7 | 169.8 | -77.4 | -167.5 | -163.7 | 0 | 0 | 106.8 | A1 D5 | A1-M3 PolarHBondContact O-N 2.63Å; A1-M3 VanDerWaalsContact O-N 3.13Å; M3-D5 PolarHBondContact O-N 3.28Å |
| 4 | V | 43 | Very low | 54.5 | Low | 102 Ų | 102 | 82.4 Ų | 82.4 | 62% | 0.618 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -55 | 130.4 | 170.3 | 177.9 | 0 | 0 | 0 | 0 | 107 | T2 F6 A8 | T2-V4 PolarHBondContact O-N 2.95Å; T2-V4 VanDerWaalsContact O-N 3.1Å; V4-F6 PolarHBondContact O-N 3.42Å; V4-A8 HydrophobicContact CG1-CB 4.16Å |
| 5 | D | 54.5 | Low | 55.8 | Low | 87 Ų | 87 | 78.3 Ų | 78.3 | 47% | 0.465 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -48.1 | 124.2 | 175.5 | -175.9 | -13.6 | 0 | 0 | 0 | 108.8 | M3 L7 A8 | M3-D5 PolarHBondContact O-N 3.28Å; D5-L7 PolarHBondContact O-N 3.39Å; D5-L7 VanDerWaalsContact O-N 3.14Å; D5-L7 PolarHBondContact OD1-N 2.95Å; D5-L7 VanDerWaalsContact OD1-N 3.17Å; D5-A8 HydrophobicContact CB-CB 4.31Å; D5-A8 VanDerWaalsContact O-CB 3.23Å; D5-A8 WeakPolarHBondContact O-CB 3.28Å; D5-A8 PolarHBondContact O-N 3.27Å |
| 6 | F | 59 | Low | 57 | Low | 6 Ų | 6 | 74.9 Ų | 74.9 | 3% | 0.026 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -25.6 | -171.8 | -177.3 | -99.5 | 0 | 0 | 0 | 111.7 | V4 N11 D136 L140 L141 | V4-F6 PolarHBondContact O-N 3.42Å; F6-N11 WeakPolarHBondContact CD2-ND2 3.22Å; F6-N11 WeakPolarHBondContact CE2-ND2 3.4Å; F6-N11 PolarHBondContact O-ND2 3.42Å; F6-D136 HydrophobicContact CB-CB 4.15Å; F6-L140 HydrophobicContact CD1-CB 3.86Å; F6-L140 HydrophobicContact CD1-CD1 3.7Å; F6-L140 HydrophobicContact CD1-CG 4.46Å; F6-L140 HydrophobicContact CE1-CB 3.85Å; F6-L140 HydrophobicContact CE1-CD1 4.3Å; F6-L141 HydrophobicContact CD1-CD1 4.02Å; F6-L141 HydrophobicContact CD1-CG 4.38Å; F6-L141 HydrophobicContact CD2-CD1 3.67Å; F6-L141 HydrophobicContact CE1-CB 4.22Å; F6-L141 HydrophobicContact CE1-CD1 3.36Å; F6-L141 HydrophobicContact CE1-CG 3.49Å; F6-L141 VanDerWaalsContact CE1-CG 3.49Å; F6-L141 HydrophobicContact CE2-CD1 2.96Å; F6-L141 HydrophobicContact CE2-CG 3.99Å; F6-L141 HydrophobicContact CG-CD1 4.19Å; F6-L141 HydrophobicContact CZ-CB 4.4Å; F6-L141 HydrophobicContact CZ-CD1 2.82Å; F6-L141 HydrophobicContact CZ-CD2 4.13Å; F6-L141 HydrophobicContact CZ-CG 3.31Å |
| 7 | L | 59.2 | Low | 58 | Low | 37 Ų | 37 | 70.5 Ų | 70.5 | 19% | 0.194 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -6.7 | 176.4 | -75.9 | 171.9 | 0 | 0 | 0 | 114.8 | D5 Q15 L18 L140 | D5-L7 PolarHBondContact O-N 3.39Å; D5-L7 VanDerWaalsContact O-N 3.14Å; D5-L7 PolarHBondContact OD1-N 2.95Å; D5-L7 VanDerWaalsContact OD1-N 3.17Å; L7-Q15 PolarHBondContact O-NE2 2.89Å; L7-L18 HydrophobicContact CD2-CD1 4.44Å; L7-L18 HydrophobicContact CD2-CD2 3.86Å; L7-L140 HydrophobicContact CD1-CD1 3.66Å; L7-L140 HydrophobicContact CD2-CD1 3.2Å; L7-L140 HydrophobicContact CD2-CD2 3.87Å; L7-L140 HydrophobicContact CD2-CG 4.18Å; L7-L140 HydrophobicContact CG-CD1 3.18Å; L7-L140 HydrophobicContact CG-CG 4.5Å |
| 8 | A | 61.8 | Low | 59 | Low | 28 Ų | 28 | 66.7 Ų | 66.7 | 23% | 0.231 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -57.2 | 144.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V4 D5 N10 N11 | V4-A8 HydrophobicContact CG1-CB 4.16Å; D5-A8 HydrophobicContact CB-CB 4.31Å; D5-A8 VanDerWaalsContact O-CB 3.23Å; D5-A8 WeakPolarHBondContact O-CB 3.28Å; D5-A8 PolarHBondContact O-N 3.27Å; A8-N10 PolarHBondContact O-N 3.36Å; A8-N11 PolarHBondContact O-N 3.14Å |
| 9 | D | 61.3 | Low | 60.1 | Low | 130 Ų | 130 | 71.1 Ų | 71.1 | 70% | 0.695 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -24.1 | -179.3 | -67.8 | -31.7 | 0 | 0 | 0 | 113.4 | N11 | D9-N11 VanDerWaalsContact C-N 3.3Å; D9-N11 PolarHBondContact O-N 3.2Å |
| 10 | N | 60.2 | Low | 61.2 | Low | 151 Ų | 151 | 68.2 Ų | 68.2 | 81% | 0.807 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -12.9 | 179.5 | -63.9 | -19.8 | 0 | 0 | 0 | 113.7 | A8 | A8-N10 PolarHBondContact O-N 3.36Š|
| 11 | N | 69.6 | Low | 61.9 | Low | 22 Ų | 22 | 65 Ų | 65 | 12% | 0.118 | 36% | 0.363 | C | S | . | . | trans | -100.1 | 93.6 | -179.6 | -173.6 | 8.2 | 0 | 0 | 0 | 111.8 | F6 A8 D9 C13 G14 Q15 Q126 | F6-N11 WeakPolarHBondContact CD2-ND2 3.22Å; F6-N11 WeakPolarHBondContact CE2-ND2 3.4Å; F6-N11 PolarHBondContact O-ND2 3.42Å; A8-N11 PolarHBondContact O-N 3.14Å; D9-N11 VanDerWaalsContact C-N 3.3Å; D9-N11 PolarHBondContact O-N 3.2Å; N11-C13 PolarHBondContact O-N 2.95Å; N11-C13 PolarHBondContact OD1-N 3.41Å; N11-G14 PolarHBondContact O-N 3.31Å; N11-Q15 WeakPolarHBondContact O-CG 3.5Å; N11-Q15 PolarHBondContact O-N 3.49Å; N11-Q15 VanDerWaalsContact O-N 3.12Å; N11-Q126 PolarHBondContact ND2-NE2 2.97Å; N11-Q126 PolarHBondContact OD1-NE2 3.32Å | ||
| 12 | Q | 69.4 | Low | 64.4 | Low | 151 Ų | 151 | 58.1 Ų | 58.1 | 71% | 0.706 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.9 | -30.8 | -176.7 | -65.1 | -178 | -4.9 | 0 | 0 | 113.6 | A16 Y123 | Q12-A16 VanDerWaalsContact O-CB 3.31Å; Q12-A16 WeakPolarHBondContact O-CB 3.39Å; Q12-A16 PolarHBondContact O-N 3.38Å; Q12-Y123 HydrophobicContact CB-CD1 4.45Å; Q12-Y123 HydrophobicContact CB-CE1 4.21Å |
| 13 | C | 67.9 | Low | 67 | Low | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.9 | -44.7 | 179.1 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | N11 A16 I17 Y114 Y123 Q126 | N11-C13 PolarHBondContact O-N 2.95Å; N11-C13 PolarHBondContact OD1-N 3.41Å; C13-A16 PolarHBondContact O-N 3.08Å; C13-I17 PolarHBondContact O-N 3Å; C13-Y114 PolarHBondContact O-OH 3.49Å; C13-Y114 PolarHBondContact SG-OH 3.44Å; C13-Y123 HydrophobicContact CB-CD1 3.64Å; C13-Y123 HydrophobicContact CB-CD2 4.24Å; C13-Y123 HydrophobicContact CB-CE1 4.07Å; C13-Y123 HydrophobicContact CB-CG 3.73Å; C13-Q126 PolarHBondContact SG-OE1 3.39Å |
| 14 | G | 67.3 | Low | 69.4 | Low | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.1 | -38.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | N11 I17 L18 | N11-G14 PolarHBondContact O-N 3.31Å; G14-I17 VanDerWaalsContact O-CG2 3.29Å; G14-I17 WeakPolarHBondContact O-CG2 3.28Å; G14-L18 WeakPolarHBondContact O-CB 3.45Å; G14-L18 PolarHBondContact O-N 3.28Å; G14-L18 VanDerWaalsContact O-N 3.08Å |
| 15 | Q | 74.1 | Confident | 71.2 | Confident | 21 Ų | 21 | 45.5 Ų | 45.5 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.9 | -35.8 | 176.4 | -71.2 | -67.1 | -23.9 | 0 | 0 | 112.8 | L7 N11 R19 | L7-Q15 PolarHBondContact O-NE2 2.89Å; N11-Q15 WeakPolarHBondContact O-CG 3.5Å; N11-Q15 PolarHBondContact O-N 3.49Å; N11-Q15 VanDerWaalsContact O-N 3.12Å; Q15-R19 WeakPolarHBondContact O-CB 3.47Å; Q15-R19 VanDerWaalsContact O-CG 3.22Å; Q15-R19 WeakPolarHBondContact O-CG 3.44Å; Q15-R19 PolarHBondContact O-N 3.38Å |
| 16 | A | 75.4 | Confident | 72.7 | Confident | 24 Ų | 24 | 42.1 Ų | 42.1 | 20% | 0.198 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.4 | -48.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q12 C13 R19 I20 Y114 | Q12-A16 VanDerWaalsContact O-CB 3.31Å; Q12-A16 WeakPolarHBondContact O-CB 3.39Å; Q12-A16 PolarHBondContact O-N 3.38Å; C13-A16 PolarHBondContact O-N 3.08Å; A16-R19 PolarHBondContact O-N 3.19Å; A16-I20 WeakPolarHBondContact O-CG1 3.4Å; A16-I20 PolarHBondContact O-N 3.08Å; A16-I20 VanDerWaalsContact O-N 3.15Å; A16-Y114 HydrophobicContact CB-CD2 4.08Å; A16-Y114 HydrophobicContact CB-CE2 3.97Å |
| 17 | I | 74.1 | Confident | 73.9 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.2 | -38.1 | 178.4 | -169.4 | 161 | 0 | 0 | 0 | 112.3 | C13 G14 R19 I20 V21 Y114 Q146 | C13-I17 PolarHBondContact O-N 3Å; G14-I17 VanDerWaalsContact O-CG2 3.29Å; G14-I17 WeakPolarHBondContact O-CG2 3.28Å; I17-R19 VanDerWaalsContact C-N 3.31Å; I17-R19 PolarHBondContact O-N 3.49Å; I17-I20 PolarHBondContact O-N 3.12Å; I17-I20 VanDerWaalsContact O-N 3.15Å; I17-V21 WeakPolarHBondContact O-CG2 3.15Å; I17-V21 PolarHBondContact O-N 2.99Å; I17-Y114 HydrophobicContact CB-CE1 4.09Å; I17-Y114 HydrophobicContact CB-CE2 4.45Å; I17-Y114 HydrophobicContact CD1-CE1 3.89Å; I17-Y114 HydrophobicContact CG1-CE1 4.3Å; I17-Q146 HydrophobicContact CD1-CG 3.85Å |
| 18 | L | 74.9 | Confident | 75.1 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.7 | -41 | 176.3 | -176.5 | 67.2 | 0 | 0 | 0 | 111.5 | L7 G14 V21 S22 L140 Q609 A610 | L7-L18 HydrophobicContact CD2-CD1 4.44Å; L7-L18 HydrophobicContact CD2-CD2 3.86Å; G14-L18 WeakPolarHBondContact O-CB 3.45Å; G14-L18 PolarHBondContact O-N 3.28Å; G14-L18 VanDerWaalsContact O-N 3.08Å; L18-V21 PolarHBondContact O-N 3.23Å; L18-S22 WeakPolarHBondContact O-CB 3.34Å; L18-S22 PolarHBondContact O-N 2.73Å; L18-S22 PolarHBondContact O-OG 3.49Å; L18-L140 HydrophobicContact CD1-CD2 4.15Å; L18-Q609 HydrophobicContact CD1-CB 4.13Å; L18-Q609 HydrophobicContact CD2-CB 4.2Å; L18-A610 HydrophobicContact CD2-CB 4.09Å; L18-A610 HydrophobicContact CG-CB 3.87Å |
| 19 | R | 81.2 | Confident | 76.2 | Confident | 149 Ų | 149 | 39.9 Ų | 39.9 | 56% | 0.562 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -64.7 | -37.3 | 174.1 | -74.8 | 172.9 | -174.9 | -174.7 | 2.5 | 113 | Q15 A16 I17 S22 R23 | Q15-R19 WeakPolarHBondContact O-CB 3.47Å; Q15-R19 VanDerWaalsContact O-CG 3.22Å; Q15-R19 WeakPolarHBondContact O-CG 3.44Å; Q15-R19 PolarHBondContact O-N 3.38Å; A16-R19 PolarHBondContact O-N 3.19Å; I17-R19 VanDerWaalsContact C-N 3.31Å; I17-R19 PolarHBondContact O-N 3.49Å; R19-S22 WeakPolarHBondContact CA-OG 3.26Å; R19-S22 PolarHBondContact O-OG 3.46Å; R19-R23 WeakPolarHBondContact O-CB 3.48Å; R19-R23 VanDerWaalsContact O-CG 3.23Å; R19-R23 WeakPolarHBondContact O-CG 3.17Å; R19-R23 PolarHBondContact O-N 3.03Å |
| 20 | I | 81.5 | Confident | 77.2 | Confident | 14 Ų | 14 | 35.8 Ų | 35.8 | 7% | 0.072 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.7 | -51.2 | 175.3 | -66.9 | 168.7 | 0 | 0 | 0 | 109.1 | A16 I17 S22 R23 G24 Y107 Y114 | A16-I20 WeakPolarHBondContact O-CG1 3.4Å; A16-I20 PolarHBondContact O-N 3.08Å; A16-I20 VanDerWaalsContact O-N 3.15Å; I17-I20 PolarHBondContact O-N 3.12Å; I17-I20 VanDerWaalsContact O-N 3.15Å; I20-S22 VanDerWaalsContact C-N 3.34Å; I20-S22 PolarHBondContact O-N 3.22Å; I20-R23 WeakPolarHBondContact O-CB 3.41Å; I20-R23 PolarHBondContact O-N 3.11Å; I20-R23 VanDerWaalsContact O-N 3.16Å; I20-G24 PolarHBondContact O-N 3.4Å; I20-Y107 HydrophobicContact CG2-CD2 4.18Å; I20-Y107 HydrophobicContact CG2-CE2 3.62Å; I20-Y107 VanDerWaalsContact O-CE2 3.25Å; I20-Y107 WeakPolarHBondContact O-CE2 2.91Å; I20-Y114 HydrophobicContact CD1-CG 4.23Å |
| 21 | V | 76.6 | Confident | 78.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 179.7 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | I17 L18 G24 N25 T145 E148 A149 L152 R606 | I17-V21 WeakPolarHBondContact O-CG2 3.15Å; I17-V21 PolarHBondContact O-N 2.99Å; L18-V21 PolarHBondContact O-N 3.23Å; V21-G24 PolarHBondContact O-N 3.48Å; V21-G24 VanDerWaalsContact O-N 3.14Å; V21-N25 PolarHBondContact O-N 3.12Å; V21-N25 VanDerWaalsContact O-N 3.15Å; V21-T145 HydrophobicContact CG2-CG2 4.12Å; V21-E148 HydrophobicContact CG1-CG 4.38Å; V21-A149 HydrophobicContact CG2-CB 4.36Å; V21-L152 HydrophobicContact CG1-CD1 4Å; V21-R606 HydrophobicContact CG1-CB 4.26Å; V21-R606 HydrophobicContact CG1-CG 4.19Å |
| 22 | S | 80.6 | Confident | 79.1 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 175.8 | 71.1 | 0 | 0 | 0 | 0 | 111.8 | L18 R19 I20 G24 N25 A26 | L18-S22 WeakPolarHBondContact O-CB 3.34Å; L18-S22 PolarHBondContact O-N 2.73Å; L18-S22 PolarHBondContact O-OG 3.49Å; R19-S22 WeakPolarHBondContact CA-OG 3.26Å; R19-S22 PolarHBondContact O-OG 3.46Å; I20-S22 VanDerWaalsContact C-N 3.34Å; I20-S22 PolarHBondContact O-N 3.22Å; S22-G24 VanDerWaalsContact C-N 3.27Å; S22-G24 PolarHBondContact O-N 3.32Å; S22-N25 PolarHBondContact O-N 3.08Å; S22-A26 PolarHBondContact O-N 2.68Å; S22-A26 VanDerWaalsContact O-N 3.15Å |
| 23 | R | 83.4 | Confident | 79.7 | Confident | 125 Ų | 125 | 24 Ų | 24 | 47% | 0.472 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -60.9 | -37.9 | 172.8 | -75 | 172.3 | 178.7 | -173.2 | 0.7 | 111.4 | R19 I20 A26 I27 D110 | R19-R23 WeakPolarHBondContact O-CB 3.48Å; R19-R23 VanDerWaalsContact O-CG 3.23Å; R19-R23 WeakPolarHBondContact O-CG 3.17Å; R19-R23 PolarHBondContact O-N 3.03Å; I20-R23 WeakPolarHBondContact O-CB 3.41Å; I20-R23 PolarHBondContact O-N 3.11Å; I20-R23 VanDerWaalsContact O-N 3.16Å; R23-A26 PolarHBondContact O-N 2.88Å; R23-I27 VanDerWaalsContact O-CG1 3.26Å; R23-I27 WeakPolarHBondContact O-CG1 3.48Å; R23-I27 PolarHBondContact O-N 3.25Å; R23-D110 IonicContact NH1-OD2 2.73Å; R23-D110 PolarHBondContact NH1-OD2 2.81Å |
| 24 | G | 82.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | I20 V21 S22 A26 I27 I28 Y107 M156 | I20-G24 PolarHBondContact O-N 3.4Å; V21-G24 PolarHBondContact O-N 3.48Å; V21-G24 VanDerWaalsContact O-N 3.14Å; S22-G24 VanDerWaalsContact C-N 3.27Å; S22-G24 PolarHBondContact O-N 3.32Å; G24-A26 VanDerWaalsContact C-N 3.32Å; G24-A26 PolarHBondContact O-N 3.18Å; G24-I27 PolarHBondContact O-N 3.01Å; G24-I28 WeakPolarHBondContact O-CG1 3.48Å; G24-I28 PolarHBondContact O-N 3.42Å; G24-I28 VanDerWaalsContact O-N 3.13Å; G24-Y107 VanDerWaalsContact CA-CE2 3.48Å; G24-M156 WeakPolarHBondContact O-CE 3.47Å |
| 25 | N | 81.7 | Confident | 81 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.1 | -36.2 | 174.5 | -78.3 | -56.3 | 0 | 0 | 0 | 112.5 | V21 S22 A29 L152 Y300 I607 | V21-N25 PolarHBondContact O-N 3.12Å; V21-N25 VanDerWaalsContact O-N 3.15Å; S22-N25 PolarHBondContact O-N 3.08Å; N25-A29 PolarHBondContact O-N 3.08Å; N25-A29 VanDerWaalsContact O-N 3.15Å; N25-L152 WeakPolarHBondContact OD1-CD2 2.94Å; N25-Y300 PolarHBondContact OD1-OH 3.44Å; N25-I607 HydrophobicContact CB-CD1 4.09Å; N25-I607 HydrophobicContact CB-CG1 4.39Å |
| 26 | A | 84.4 | Confident | 81 | Confident | 16 Ų | 16 | 28.7 Ų | 28.7 | 13% | 0.132 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | S22 R23 G24 A29 E30 D614 V618 | S22-A26 PolarHBondContact O-N 2.68Å; S22-A26 VanDerWaalsContact O-N 3.15Å; R23-A26 PolarHBondContact O-N 2.88Å; G24-A26 VanDerWaalsContact C-N 3.32Å; G24-A26 PolarHBondContact O-N 3.18Å; A26-A29 PolarHBondContact O-N 3.33Å; A26-E30 PolarHBondContact O-N 3.04Å; A26-D614 HydrophobicContact CB-CB 4.14Å; A26-V618 HydrophobicContact CB-CG2 3.96Å |
| 27 | I | 85.6 | Confident | 80.9 | Confident | 21 Ų | 21 | 32.6 Ų | 32.6 | 11% | 0.108 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.5 | -44.5 | 177.3 | -69 | 163.4 | 0 | 0 | 0 | 110.6 | R23 G24 A29 E30 L31 V104 Y107 M156 | R23-I27 VanDerWaalsContact O-CG1 3.26Å; R23-I27 WeakPolarHBondContact O-CG1 3.48Å; R23-I27 PolarHBondContact O-N 3.25Å; G24-I27 PolarHBondContact O-N 3.01Å; I27-A29 VanDerWaalsContact C-N 3.32Å; I27-A29 PolarHBondContact O-N 2.87Å; I27-E30 PolarHBondContact O-N 3.18Å; I27-L31 HydrophobicContact CG2-CD1 3.87Å; I27-L31 HydrophobicContact CG2-CG 4.21Å; I27-L31 WeakPolarHBondContact O-CB 3.41Å; I27-L31 VanDerWaalsContact O-CG 3.28Å; I27-L31 WeakPolarHBondContact O-CG 3.48Å; I27-L31 PolarHBondContact O-N 3.05Å; I27-V104 HydrophobicContact CG2-CG2 3.61Å; I27-Y107 HydrophobicContact CD1-CD2 4.08Å; I27-Y107 HydrophobicContact CD1-CG 4.34Å; I27-M156 HydrophobicContact CB-CE 4.08Å; I27-M156 HydrophobicContact CB-SD 4.33Å; I27-M156 HydrophobicContact CD1-CE 4.35Å; I27-M156 HydrophobicContact CG2-CE 4.22Å; I27-M156 HydrophobicContact CG2-CG 4.22Å; I27-M156 HydrophobicContact CG2-SD 3.81Å |
| 28 | I | 84.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 178.1 | -63.6 | 167.6 | 0 | 0 | 0 | 110.9 | G24 E30 L31 L32 L152 V155 M156 Y300 | G24-I28 WeakPolarHBondContact O-CG1 3.48Å; G24-I28 PolarHBondContact O-N 3.42Å; G24-I28 VanDerWaalsContact O-N 3.13Å; I28-E30 PolarHBondContact O-N 3.38Å; I28-L31 PolarHBondContact O-N 3.17Å; I28-L32 HydrophobicContact CG2-CD1 3.99Å; I28-L32 HydrophobicContact CG2-CG 4.35Å; I28-L32 WeakPolarHBondContact O-CB 3.19Å; I28-L32 VanDerWaalsContact O-CG 3.31Å; I28-L32 WeakPolarHBondContact O-CG 3.44Å; I28-L32 PolarHBondContact O-N 3.1Å; I28-L152 HydrophobicContact CD1-CB 4.17Å; I28-L152 HydrophobicContact CD1-CD2 3.38Å; I28-L152 HydrophobicContact CD1-CG 4.36Å; I28-V155 HydrophobicContact CD1-CB 4.37Å; I28-V155 HydrophobicContact CD1-CG1 3.89Å; I28-M156 HydrophobicContact CD1-CG 4.19Å; I28-M156 HydrophobicContact CG1-CE 4.24Å; I28-M156 HydrophobicContact CG1-CG 3.49Å; I28-M156 VanDerWaalsContact CG1-CG 3.49Å; I28-Y300 HydrophobicContact CB-CE1 4.31Å; I28-Y300 HydrophobicContact CD1-CD2 4.4Å; I28-Y300 HydrophobicContact CD1-CE1 4.46Å; I28-Y300 HydrophobicContact CD1-CE2 3.95Å; I28-Y300 HydrophobicContact CG2-CD1 3.99Å; I28-Y300 HydrophobicContact CG2-CE1 3.33Å |
| 29 | A | 83.3 | Confident | 80.7 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 2% | 0.017 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.3 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N25 A26 I27 L32 R33 V618 F621 Y622 | N25-A29 PolarHBondContact O-N 3.08Å; N25-A29 VanDerWaalsContact O-N 3.15Å; A26-A29 PolarHBondContact O-N 3.33Å; I27-A29 VanDerWaalsContact C-N 3.32Å; I27-A29 PolarHBondContact O-N 2.87Å; A29-L32 PolarHBondContact O-N 3.03Å; A29-R33 WeakPolarHBondContact O-CB 3.25Å; A29-R33 PolarHBondContact O-N 3.38Å; A29-V618 HydrophobicContact CB-CG1 4.01Å; A29-V618 HydrophobicContact CB-CG2 4.17Å; A29-F621 HydrophobicContact CB-CD1 3.99Å; A29-F621 HydrophobicContact CB-CE1 4.5Å; A29-Y622 HydrophobicContact CB-CE2 4.11Å |
| 30 | E | 83.7 | Confident | 80.1 | Confident | 44 Ų | 44 | 29.9 Ų | 29.9 | 21% | 0.206 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.2 | -37.1 | 177 | -171.8 | 65.1 | -172.8 | 0 | 0 | 112.4 | A26 I27 I28 R33 L34 R96 | A26-E30 PolarHBondContact O-N 3.04Å; I27-E30 PolarHBondContact O-N 3.18Å; I28-E30 PolarHBondContact O-N 3.38Å; E30-R33 PolarHBondContact O-N 3.4Å; E30-R33 WeakPolarHBondContact OE2-CD 3.17Å; E30-R33 IonicContact OE2-CZ 2.72Å; E30-R33 IonicContact OE2-NE 2.76Å; E30-R33 IonicContact OE2-NH1 3.26Å; E30-R33 PolarHBondContact OE2-NH1 2.98Å; E30-L34 HydrophobicContact CG-CD1 4.15Å; E30-L34 HydrophobicContact CG-CG 4.4Å; E30-L34 WeakPolarHBondContact O-CB 3.06Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.38Å; E30-L34 PolarHBondContact O-N 3.04Å; E30-R96 IonicContact OE1-CZ 3.85Å; E30-R96 IonicContact OE1-NE 2.8Å; E30-R96 PolarHBondContact OE1-NE 2.95Å; E30-R96 IonicContact OE1-NH2 3Å; E30-R96 PolarHBondContact OE1-NH2 3.44Å; E30-R96 IonicContact OE2-NH2 3.19Å; E30-R96 PolarHBondContact OE2-NH2 3.27Å |
| 31 | L | 85 | Confident | 79.5 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 174 | -73.4 | 171.4 | 0 | 0 | 0 | 111.8 | I27 I28 L34 S35 A100 F101 V104 M156 I160 | I27-L31 HydrophobicContact CG2-CD1 3.87Å; I27-L31 HydrophobicContact CG2-CG 4.21Å; I27-L31 WeakPolarHBondContact O-CB 3.41Å; I27-L31 VanDerWaalsContact O-CG 3.28Å; I27-L31 WeakPolarHBondContact O-CG 3.48Å; I27-L31 PolarHBondContact O-N 3.05Å; I28-L31 PolarHBondContact O-N 3.17Å; L31-L34 PolarHBondContact O-N 3.29Å; L31-S35 PolarHBondContact O-N 3.49Å; L31-A100 HydrophobicContact CD2-CB 4.36Å; L31-F101 HydrophobicContact CD2-CE1 4.49Å; L31-V104 HydrophobicContact CD1-CG2 3.98Å; L31-M156 HydrophobicContact CD1-CB 4.24Å; L31-M156 HydrophobicContact CD1-CG 4.24Å; L31-I160 HydrophobicContact CD1-CD1 3.99Å; L31-I160 HydrophobicContact CD1-CG1 3.86Å; L31-I160 HydrophobicContact CD2-CD1 4.3Å; L31-I160 HydrophobicContact CD2-CG1 4Å |
| 32 | L | 83.6 | Confident | 79.2 | Confident | 28 Ų | 28 | 30.8 Ų | 30.8 | 15% | 0.147 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | 174.8 | -70.9 | 171.6 | 0 | 0 | 0 | 110.6 | I28 A29 L34 S35 V159 K163 Y300 F621 | I28-L32 HydrophobicContact CG2-CD1 3.99Å; I28-L32 HydrophobicContact CG2-CG 4.35Å; I28-L32 WeakPolarHBondContact O-CB 3.19Å; I28-L32 VanDerWaalsContact O-CG 3.31Å; I28-L32 WeakPolarHBondContact O-CG 3.44Å; I28-L32 PolarHBondContact O-N 3.1Å; A29-L32 PolarHBondContact O-N 3.03Å; L32-L34 PolarHBondContact O-N 3.21Å; L32-S35 WeakPolarHBondContact O-CB 3.24Å; L32-S35 PolarHBondContact O-N 3.45Å; L32-S35 VanDerWaalsContact O-N 3.16Å; L32-S35 PolarHBondContact O-OG 3.27Å; L32-V159 HydrophobicContact CD2-CG1 3.76Å; L32-V159 HydrophobicContact CG-CG1 4.26Å; L32-K163 HydrophobicContact CD2-CG 4.46Å; L32-Y300 HydrophobicContact CD1-CE1 4.5Å; L32-F621 HydrophobicContact CB-CE1 3.88Å; L32-F621 HydrophobicContact CB-CZ 3.7Å; L32-F621 HydrophobicContact CD1-CE1 4.4Å |
| 33 | R | 81.8 | Confident | 78.5 | Confident | 45 Ų | 45 | 35.1 Ų | 35.1 | 17% | 0.17 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.9 | -47.8 | 175.8 | -172 | -172.7 | -72.8 | 164.2 | -12.2 | 111.6 | A29 E30 S35 D36 F37 S617 F621 | A29-R33 WeakPolarHBondContact O-CB 3.25Å; A29-R33 PolarHBondContact O-N 3.38Å; E30-R33 PolarHBondContact O-N 3.4Å; E30-R33 WeakPolarHBondContact OE2-CD 3.17Å; E30-R33 IonicContact OE2-CZ 2.72Å; E30-R33 IonicContact OE2-NE 2.76Å; E30-R33 IonicContact OE2-NH1 3.26Å; E30-R33 PolarHBondContact OE2-NH1 2.98Å; R33-S35 VanDerWaalsContact C-N 3.28Å; R33-S35 PolarHBondContact O-N 3.31Å; R33-D36 PolarHBondContact O-N 3.15Å; R33-F37 HydrophobicContact CG-CE2 4.25Å; R33-F37 WeakPolarHBondContact O-CD2 3.29Å; R33-S617 PolarHBondContact NH1-OG 3.37Å; R33-S617 PolarHBondContact NH2-O 3.17Å; R33-S617 PolarHBondContact NH2-OG 3.47Å; R33-S617 VanDerWaalsContact NH2-OG 3.14Å; R33-F621 HydrophobicContact CB-CD2 3.85Å; R33-F621 HydrophobicContact CB-CE2 3.62Å; R33-F621 HydrophobicContact CB-CZ 4.24Å; R33-F621 HydrophobicContact CG-CD2 4.04Å; R33-F621 HydrophobicContact CG-CE2 4.07Å |
| 34 | L | 81.4 | Confident | 77.4 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.8 | -29.4 | -179.9 | -75 | 175.1 | 0 | 0 | 0 | 112.7 | E30 L31 L32 D36 F37 R96 F97 A100 | E30-L34 HydrophobicContact CG-CD1 4.15Å; E30-L34 HydrophobicContact CG-CG 4.4Å; E30-L34 WeakPolarHBondContact O-CB 3.06Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.38Å; E30-L34 PolarHBondContact O-N 3.04Å; L31-L34 PolarHBondContact O-N 3.29Å; L32-L34 PolarHBondContact O-N 3.21Å; L34-D36 PolarHBondContact O-N 3.4Å; L34-D36 VanDerWaalsContact O-N 3.16Å; L34-F37 PolarHBondContact O-N 3.15Å; L34-R96 HydrophobicContact CD2-CG 3.93Å; L34-F97 HydrophobicContact CB-CD1 4.25Å; L34-F97 HydrophobicContact CB-CE1 3.76Å; L34-F97 HydrophobicContact CB-CZ 3.99Å; L34-F97 HydrophobicContact CD1-CD1 4.33Å; L34-F97 HydrophobicContact CD2-CD2 4.31Å; L34-F97 HydrophobicContact CD2-CE2 4.15Å; L34-F97 HydrophobicContact CD2-CZ 4.32Å; L34-F97 WeakPolarHBondContact O-CZ 2.83Å; L34-A100 HydrophobicContact CD1-CB 3.41Å; L34-A100 VanDerWaalsContact CD1-CB 3.41Å |
| 35 | S | 80.7 | Confident | 76.3 | Confident | 8 Ų | 8 | 36.2 Ų | 36.2 | 6% | 0.056 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.5 | -26.4 | 179.9 | 75.4 | 0 | 0 | 0 | 0 | 113.9 | L31 L32 R33 I38 | L31-S35 PolarHBondContact O-N 3.49Å; L32-S35 WeakPolarHBondContact O-CB 3.24Å; L32-S35 PolarHBondContact O-N 3.45Å; L32-S35 VanDerWaalsContact O-N 3.16Å; L32-S35 PolarHBondContact O-OG 3.27Å; R33-S35 VanDerWaalsContact C-N 3.28Å; R33-S35 PolarHBondContact O-N 3.31Å; S35-I38 WeakPolarHBondContact O-CD1 3.43Å; S35-I38 WeakPolarHBondContact O-CG1 3.32Å |
| 36 | D | 75.7 | Confident | 75.3 | Confident | 108 Ų | 108 | 40.6 Ų | 40.6 | 58% | 0.578 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -81.7 | -20.5 | 176.4 | -63 | -39.2 | 0 | 0 | 0 | 113.4 | R33 L34 | R33-D36 PolarHBondContact O-N 3.15Å; L34-D36 PolarHBondContact O-N 3.4Å; L34-D36 VanDerWaalsContact O-N 3.16Å |
| 37 | F | 73.5 | Confident | 74 | Confident | 106 Ų | 106 | 48 Ų | 48 | 47% | 0.465 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 12.7 | -178.2 | -67.4 | -76.2 | 0 | 0 | 0 | 113.9 | R33 L34 P39 | R33-F37 HydrophobicContact CG-CE2 4.25Å; R33-F37 WeakPolarHBondContact O-CD2 3.29Å; L34-F37 PolarHBondContact O-N 3.15Å; F37-P39 WeakPolarHBondContact O-CD 3.48Å |
| 38 | I | 73.7 | Confident | 72.7 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | trans | -63.4 | 117.4 | 177.1 | -60.8 | 169.7 | 0 | 0 | 0 | 109.2 | S35 A40 R43 F97 I164 V168 | S35-I38 WeakPolarHBondContact O-CD1 3.43Å; S35-I38 WeakPolarHBondContact O-CG1 3.32Å; I38-A40 PolarHBondContact O-N 2.85Å; I38-R43 HydrophobicContact CG2-CG 4.34Å; I38-F97 HydrophobicContact CB-CZ 4.5Å; I38-F97 HydrophobicContact CG1-CE1 3.98Å; I38-F97 HydrophobicContact CG1-CZ 3.76Å; I38-I164 HydrophobicContact CD1-CB 4.42Å; I38-I164 HydrophobicContact CD1-CG1 4.11Å; I38-I164 HydrophobicContact CD1-CG2 4.05Å; I38-V168 HydrophobicContact CG2-CG1 3.85Å | ||
| 39 | P | 70.9 | Confident | 71.7 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | trans | -62.6 | 132.8 | 179.8 | -20.5 | 32.1 | 0 | 0 | 0 | 111.1 | F37 V41 F42 I93 | F37-P39 WeakPolarHBondContact O-CD 3.48Å; P39-V41 PolarHBondContact O-N 2.83Å; P39-V41 VanDerWaalsContact O-N 3.07Å; P39-F42 HydrophobicContact CB-CD2 3.86Å; P39-F42 HydrophobicContact CB-CE2 4.21Å; P39-F42 HydrophobicContact CG-CD2 3.93Å; P39-F42 HydrophobicContact CG-CE2 4.04Å; P39-F42 PolarHBondContact O-N 2.99Å; P39-F42 VanDerWaalsContact O-N 3.09Å; P39-I93 HydrophobicContact CG-CD1 3.96Å; P39-I93 HydrophobicContact CG-CG2 4.19Å | ||
| 40 | A | 67.9 | Low | 70.6 | Confident | 65 Ų | 65 | 56.9 Ų | 56.9 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.9 | -28.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | I38 F42 R43 M44 | I38-A40 PolarHBondContact O-N 2.85Å; A40-F42 VanDerWaalsContact C-N 3.28Å; A40-F42 PolarHBondContact O-N 3.04Å; A40-R43 WeakPolarHBondContact O-CB 3.21Å; A40-R43 PolarHBondContact O-N 3.25Å; A40-M44 PolarHBondContact O-N 3.07Å |
| 41 | V | 68.2 | Low | 69.6 | Low | 32 Ų | 32 | 63 Ų | 63 | 19% | 0.194 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.9 | -33 | 179.6 | -172.1 | 0 | 0 | 0 | 0 | 112.4 | P39 M44 Y53 I57 F86 | P39-V41 PolarHBondContact O-N 2.83Å; P39-V41 VanDerWaalsContact O-N 3.07Å; V41-M44 VanDerWaalsContact O-CG 3.31Å; V41-M44 WeakPolarHBondContact O-CG 3.06Å; V41-M44 PolarHBondContact O-N 3.31Å; V41-Y53 HydrophobicContact CG1-CD2 3.66Å; V41-Y53 HydrophobicContact CG1-CE2 4.2Å; V41-Y53 HydrophobicContact CG1-CG 3.95Å; V41-I57 HydrophobicContact CG1-CD1 3.72Å; V41-F86 HydrophobicContact CB-CE2 4.42Å; V41-F86 HydrophobicContact CG1-CE2 3.74Å; V41-F86 HydrophobicContact CG1-CZ 4.33Å |
| 42 | F | 71.3 | Confident | 68.6 | Low | 1 Ų | 1 | 67.2 Ų | 67.2 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -76.9 | -23.7 | 175.9 | -67.7 | -73.5 | 0 | 0 | 0 | 113.2 | P39 A40 M44 I57 F86 L94 V168 R171 M172 | P39-F42 HydrophobicContact CB-CD2 3.86Å; P39-F42 HydrophobicContact CB-CE2 4.21Å; P39-F42 HydrophobicContact CG-CD2 3.93Å; P39-F42 HydrophobicContact CG-CE2 4.04Å; P39-F42 PolarHBondContact O-N 2.99Å; P39-F42 VanDerWaalsContact O-N 3.09Å; A40-F42 VanDerWaalsContact C-N 3.28Å; A40-F42 PolarHBondContact O-N 3.04Å; F42-M44 VanDerWaalsContact C-N 3.32Å; F42-I57 HydrophobicContact CD1-CD1 4.44Å; F42-I57 HydrophobicContact CD1-CG2 4.18Å; F42-F86 HydrophobicContact CE1-CE1 4.1Å; F42-F86 AromaticContact CE1-CZ 3.92Å; F42-F86 HydrophobicContact CE1-CZ 3.92Å; F42-F86 HydrophobicContact CE2-CZ 4.13Å; F42-F86 AromaticContact CZ-CE1 3.72Å; F42-F86 HydrophobicContact CZ-CE1 3.72Å; F42-F86 AromaticContact CZ-CZ 3.54Å; F42-F86 HydrophobicContact CZ-CZ 3.54Å; F42-L94 HydrophobicContact CE1-CD2 4.46Å; F42-L94 HydrophobicContact CE2-CD2 4.09Å; F42-L94 HydrophobicContact CZ-CD1 4.26Å; F42-L94 HydrophobicContact CZ-CD2 3.78Å; F42-L94 HydrophobicContact CZ-CG 4.37Å; F42-V168 HydrophobicContact CB-CG1 4.09Å; F42-R171 HydrophobicContact CD1-CB 4.06Å; F42-R171 WeakPolarHBondContact O-CD 3.46Å; F42-R171 PolarHBondContact O-NH1 2.69Å; F42-M172 HydrophobicContact CB-CG 4.27Å; F42-M172 HydrophobicContact CD1-CG 3.94Å; F42-M172 HydrophobicContact CD2-CG 4.1Å; F42-M172 HydrophobicContact CE1-CG 4.31Å; F42-M172 HydrophobicContact CE2-CG 4.46Å; F42-M172 HydrophobicContact CG-CG 3.83Å |
| 43 | R | 66.7 | Low | 67.8 | Low | 95 Ų | 95 | 67.3 Ų | 67.3 | 36% | 0.358 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -75.7 | -20.4 | 174.2 | -65.9 | -178.4 | 175.6 | 168.4 | -0.1 | 112.4 | I38 A40 K45 V168 | I38-R43 HydrophobicContact CG2-CG 4.34Å; A40-R43 WeakPolarHBondContact O-CB 3.21Å; A40-R43 PolarHBondContact O-N 3.25Å; R43-K45 HydrophobicContact CB-CG 4.18Å; R43-K45 PolarHBondContact O-N 2.82Å; R43-K45 VanDerWaalsContact O-N 3.13Å; R43-V168 HydrophobicContact CG-CG2 4.17Å |
| 44 | M | 60 | Low | 66.9 | Low | 20 Ų | 20 | 66.6 Ų | 66.6 | 10% | 0.099 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 41.2 | 176 | -68.3 | -66.9 | -113.4 | 0 | 0 | 113.4 | A40 V41 F42 D49 Q50 I57 | A40-M44 PolarHBondContact O-N 3.07Å; V41-M44 VanDerWaalsContact O-CG 3.31Å; V41-M44 WeakPolarHBondContact O-CG 3.06Å; V41-M44 PolarHBondContact O-N 3.31Å; F42-M44 VanDerWaalsContact C-N 3.32Å; M44-D49 HydrophobicContact SD-CB 4.46Å; M44-Q50 HydrophobicContact CB-CG 3.99Å; M44-Q50 HydrophobicContact CE-CG 4.38Å; M44-Q50 PolarHBondContact O-NE2 3.11Å; M44-Q50 HydrophobicContact SD-CG 4.3Å; M44-I57 HydrophobicContact CE-CD1 4.43Å; M44-I57 HydrophobicContact SD-CD1 4.31Å |
| 45 | K | 57.8 | Low | 66.2 | Low | 128 Ų | 128 | 69.5 Ų | 69.5 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | trans | -79.8 | -27.4 | -178.3 | -69.2 | -173.9 | 178.2 | -175.5 | 0 | 112.7 | R43 | R43-K45 HydrophobicContact CB-CG 4.18Å; R43-K45 PolarHBondContact O-N 2.82Å; R43-K45 VanDerWaalsContact O-N 3.13Å | ||
| 46 | D | 61.5 | Low | 65.7 | Low | 95 Ų | 95 | 69.1 Ų | 69.1 | 51% | 0.508 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -92.7 | 133.1 | -178.7 | -67.2 | -42.5 | 0 | 0 | 0 | 112.1 | S48 D49 Q50 | D46-S48 PolarHBondContact O-N 2.77Å; D46-D49 HydrophobicContact CB-CB 4.43Å; D46-D49 PolarHBondContact O-N 2.92Å; D46-D49 VanDerWaalsContact O-N 3.14Å; D46-Q50 PolarHBondContact O-N 3.08Å |
| 47 | K | 58.2 | Low | 65.6 | Low | 173 Ų | 173 | 64.5 Ų | 64.5 | 75% | 0.752 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61 | -29 | 179.9 | -73.2 | -175.5 | 178.8 | 179.5 | 0 | 113 | Q51 | K47-Q51 WeakPolarHBondContact O-CG 3.36Å; K47-Q51 PolarHBondContact O-N 3.18Å; K47-Q51 VanDerWaalsContact O-N 3.15Å |
| 48 | S | 58.2 | Low | 65.6 | Low | 73 Ų | 73 | 59.9 Ų | 59.9 | 51% | 0.51 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 175.7 | 50.7 | 0 | 0 | 0 | 0 | 112.1 | D46 Q51 K52 | D46-S48 PolarHBondContact O-N 2.77Å; S48-Q51 PolarHBondContact O-N 3.43Å; S48-K52 WeakPolarHBondContact O-CB 3.45Å; S48-K52 PolarHBondContact O-N 3.31Å |
| 49 | D | 62.3 | Low | 65.7 | Low | 36 Ų | 36 | 61.4 Ų | 61.4 | 19% | 0.193 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -74.2 | -35.5 | -178.8 | -69.3 | -2.3 | 0 | 0 | 0 | 110.7 | M44 D46 Q51 K52 Y53 | M44-D49 HydrophobicContact SD-CB 4.46Å; D46-D49 HydrophobicContact CB-CB 4.43Å; D46-D49 PolarHBondContact O-N 2.92Å; D46-D49 VanDerWaalsContact O-N 3.14Å; D49-Q51 PolarHBondContact O-N 2.73Å; D49-K52 PolarHBondContact O-N 3.2Å; D49-Y53 HydrophobicContact CB-CD2 4.3Å; D49-Y53 PolarHBondContact O-N 3.22Å |
| 50 | Q | 61.1 | Low | 66 | Low | 100 Ų | 100 | 61.7 Ų | 61.7 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 170.1 | -73.5 | -178.2 | -1.9 | 0 | 0 | 112.7 | M44 D46 G54 | M44-Q50 HydrophobicContact CB-CG 3.99Å; M44-Q50 HydrophobicContact CE-CG 4.38Å; M44-Q50 PolarHBondContact O-NE2 3.11Å; M44-Q50 HydrophobicContact SD-CG 4.3Å; D46-Q50 PolarHBondContact O-N 3.08Å; Q50-G54 VanDerWaalsContact O-CA 3.29Å; Q50-G54 WeakPolarHBondContact O-CA 3.47Å; Q50-G54 PolarHBondContact O-N 3.21Å; Q50-G54 VanDerWaalsContact O-N 3.13Å |
| 51 | Q | 61.8 | Low | 66 | Low | 172 Ų | 172 | 61.1 Ų | 61.1 | 80% | 0.804 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -70.8 | -30.4 | 178.6 | -76 | 178.3 | -4.4 | 0 | 0 | 113 | K47 S48 D49 | K47-Q51 WeakPolarHBondContact O-CG 3.36Å; K47-Q51 PolarHBondContact O-N 3.18Å; K47-Q51 VanDerWaalsContact O-N 3.15Å; S48-Q51 PolarHBondContact O-N 3.43Å; D49-Q51 PolarHBondContact O-N 2.73Å |
| 52 | K | 63.8 | Low | 66.2 | Low | 92 Ų | 92 | 60.5 Ų | 60.5 | 40% | 0.4 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -91 | -44.6 | -174.4 | -170.6 | 174.6 | -179.8 | -171.7 | 0 | 113.6 | S48 D49 L82 | S48-K52 WeakPolarHBondContact O-CB 3.45Å; S48-K52 PolarHBondContact O-N 3.31Å; D49-K52 PolarHBondContact O-N 3.2Å; K52-L82 HydrophobicContact CG-CD2 4.12Å; K52-L82 WeakPolarHBondContact O-CD2 3.38Å |
| 53 | Y | 67 | Low | 66.3 | Low | 30 Ų | 30 | 64 Ų | 64 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -108.7 | -3.8 | -174.2 | -56 | -71 | 0 | 0 | 0 | 113.3 | V41 D49 D55 I56 I57 L82 F86 | V41-Y53 HydrophobicContact CG1-CD2 3.66Å; V41-Y53 HydrophobicContact CG1-CE2 4.2Å; V41-Y53 HydrophobicContact CG1-CG 3.95Å; D49-Y53 HydrophobicContact CB-CD2 4.3Å; D49-Y53 PolarHBondContact O-N 3.22Å; Y53-D55 PolarHBondContact O-N 2.86Å; Y53-I56 PolarHBondContact O-N 3.06Å; Y53-I57 PolarHBondContact O-N 3.02Å; Y53-L82 HydrophobicContact CD1-CD2 4.46Å; Y53-L82 HydrophobicContact CE1-CD1 3.99Å; Y53-L82 HydrophobicContact CE1-CD2 4.48Å; Y53-L82 HydrophobicContact CE1-CG 4.31Å; Y53-F86 AromaticContact CD1-CD2 3.99Å; Y53-F86 HydrophobicContact CD1-CD2 3.99Å; Y53-F86 HydrophobicContact CD1-CE2 4.4Å; Y53-F86 HydrophobicContact CE1-CD2 4.1Å |
| 54 | G | 64.1 | Low | 66.5 | Low | 31 Ų | 31 | 68.9 Ų | 68.9 | 32% | 0.32 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -23.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q50 | Q50-G54 VanDerWaalsContact O-CA 3.29Å; Q50-G54 WeakPolarHBondContact O-CA 3.47Å; Q50-G54 PolarHBondContact O-N 3.21Å; Q50-G54 VanDerWaalsContact O-N 3.13Å |
| 55 | D | 65.2 | Low | 67 | Low | 64 Ų | 64 | 69.1 Ų | 69.1 | 34% | 0.342 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -13.2 | 174.5 | -79.4 | -17.5 | 0 | 0 | 0 | 113.2 | Y53 K72 L79 | Y53-D55 PolarHBondContact O-N 2.86Å; D55-K72 IonicContact OD1-NZ 3.27Å; D55-K72 PolarHBondContact OD1-NZ 3.29Å; D55-K72 IonicContact OD2-NZ 3.31Å; D55-L79 HydrophobicContact CB-CD1 4.44Å |
| 56 | I | 70 | Confident | 67.6 | Low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -39.4 | -176.3 | -64.6 | 171.4 | 0 | 0 | 0 | 111.3 | Y53 L73 L82 D83 R178 | Y53-I56 PolarHBondContact O-N 3.06Å; I56-L73 HydrophobicContact CG1-CD2 4.28Å; I56-L82 HydrophobicContact CD1-CB 3.9Å; I56-L82 HydrophobicContact CD1-CD2 3.59Å; I56-L82 HydrophobicContact CD1-CG 3.54Å; I56-D83 HydrophobicContact CD1-CB 4.4Å; I56-D83 HydrophobicContact CG2-CB 4.34Å; I56-D83 WeakPolarHBondContact CG2-OD1 3.17Å; I56-R178 PolarHBondContact O-NH1 3.37Å |
| 57 | I | 74.6 | Confident | 68 | Low | 11 Ų | 11 | 69.5 Ų | 69.5 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | trans | -87.7 | 114.6 | -177.1 | -58.9 | 171.8 | 0 | 0 | 0 | 109.1 | V41 F42 M44 Y53 F86 R171 | V41-I57 HydrophobicContact CG1-CD1 3.72Å; F42-I57 HydrophobicContact CD1-CD1 4.44Å; F42-I57 HydrophobicContact CD1-CG2 4.18Å; M44-I57 HydrophobicContact CE-CD1 4.43Å; M44-I57 HydrophobicContact SD-CD1 4.31Å; Y53-I57 PolarHBondContact O-N 3.02Å; I57-F86 HydrophobicContact CD1-CE2 4.36Å; I57-F86 HydrophobicContact CD1-CZ 4.05Å; I57-F86 HydrophobicContact CG1-CZ 4.23Å; I57-R171 HydrophobicContact CG2-CB 3.74Å; I57-R171 HydrophobicContact CG2-CG 3.63Å | ||
| 58 | C | 73.3 | Confident | 68.8 | Low | 10 Ų | 10 | 69.1 Ų | 69.1 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | trans | -115.3 | 146.9 | -178.7 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | Y62 Y69 R171 V174 | C58-Y62 HydrophobicContact CB-CD2 4.43Å; C58-Y69 VanDerWaalsContact SG-CD1 3.55Å; C58-R171 WeakPolarHBondContact O-CA 3.13Å; C58-V174 HydrophobicContact CB-CG1 4.07Å; C58-V174 WeakPolarHBondContact O-CB 3.47Å | ||
| 59 | D | 76.3 | Confident | 69.3 | Low | 44 Ų | 44 | 68.8 Ų | 68.8 | 24% | 0.235 | 34% | 0.337 | C | S | . | . | trans | -85.8 | -172.3 | 172.9 | -57.2 | -13.3 | 0 | 0 | 0 | 110 | S61 Y62 R171 | D59-S61 PolarHBondContact O-N 3.42Å; D59-Y62 WeakPolarHBondContact O-CB 3.36Å; D59-Y62 PolarHBondContact O-N 3.12Å; D59-R171 WeakPolarHBondContact OD1-CD 3.48Å; D59-R171 WeakPolarHBondContact OD1-CG 3.45Å; D59-R171 IonicContact OD1-CZ 3.34Å; D59-R171 IonicContact OD1-NE 3.49Å; D59-R171 PolarHBondContact OD1-NE 3.4Å; D59-R171 IonicContact OD1-NH2 3.94Å; D59-R171 IonicContact OD2-NE 2.87Å; D59-R171 IonicContact OD2-NH2 3.76Å | ||
| 60 | F | 76.4 | Confident | 69.8 | Low | 24 Ų | 24 | 69.8 Ų | 69.8 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -60.3 | -6.7 | 176.6 | -75.8 | -2.4 | 0 | 0 | 0 | 114.6 | Y62 F63 E170 L173 V174 C194 R198 | F60-Y62 PolarHBondContact O-N 2.95Å; F60-F63 HydrophobicContact CB-CD2 4.37Å; F60-F63 HydrophobicContact CD1-CD2 4.18Å; F60-F63 AromaticContact CD1-CE2 3.78Å; F60-F63 HydrophobicContact CD1-CE2 3.78Å; F60-F63 HydrophobicContact CE1-CE2 4.1Å; F60-F63 HydrophobicContact CG-CD2 4.42Å; F60-F63 HydrophobicContact CG-CE2 4.43Å; F60-F63 PolarHBondContact O-N 3.31Å; F60-E170 HydrophobicContact CB-CG 4.46Å; F60-E170 WeakPolarHBondContact CB-OE2 3.37Å; F60-E170 HydrophobicContact CD1-CB 3.55Å; F60-E170 HydrophobicContact CD1-CG 3.8Å; F60-E170 HydrophobicContact CD2-CB 4.27Å; F60-E170 HydrophobicContact CD2-CG 3.57Å; F60-E170 WeakPolarHBondContact CD2-OE1 3.19Å; F60-E170 HydrophobicContact CE1-CB 3.79Å; F60-E170 HydrophobicContact CE1-CG 3.9Å; F60-E170 HydrophobicContact CE2-CB 4.46Å; F60-E170 HydrophobicContact CE2-CG 3.68Å; F60-E170 HydrophobicContact CG-CB 3.83Å; F60-E170 HydrophobicContact CG-CG 3.66Å; F60-E170 HydrophobicContact CZ-CB 4.24Å; F60-E170 HydrophobicContact CZ-CG 3.84Å; F60-L173 HydrophobicContact CE1-CB 4.05Å; F60-L173 HydrophobicContact CE1-CD1 4.22Å; F60-L173 HydrophobicContact CZ-CD1 3.9Å; F60-V174 HydrophobicContact CD1-CG2 3.64Å; F60-V174 HydrophobicContact CE1-CG2 4.14Å; F60-C194 HydrophobicContact CE2-CB 4.39Å; F60-C194 WeakPolarHBondContact CE2-O 3.29Å; F60-C194 HydrophobicContact CZ-CB 4.04Å; F60-R198 HydrophobicContact CD2-CB 4.46Å; F60-R198 HydrophobicContact CD2-CG 4.3Å; F60-R198 HydrophobicContact CE2-CB 4.08Å; F60-R198 HydrophobicContact CE2-CG 4.42Å |
| 61 | S | 69 | Low | 70.2 | Confident | 53 Ų | 53 | 66.8 Ų | 66.8 | 37% | 0.371 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -59.1 | -26.2 | 166.7 | 53 | 0 | 0 | 0 | 0 | 113.2 | D59 F63 K64 | D59-S61 PolarHBondContact O-N 3.42Å; S61-F63 VanDerWaalsContact C-N 3.3Å; S61-F63 PolarHBondContact O-N 3.12Å; S61-K64 WeakPolarHBondContact O-CB 3.23Å; S61-K64 PolarHBondContact O-N 3.45Å; S61-K64 VanDerWaalsContact O-N 3.1Å |
| 62 | Y | 72.4 | Confident | 70.7 | Confident | 18 Ų | 18 | 62.1 Ų | 62.1 | 7% | 0.071 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -55 | -44 | 175.5 | 178 | -98.1 | 0 | 0 | 0 | 112.3 | C58 D59 F60 K64 G65 P66 Y69 E70 V174 Y177 R178 | C58-Y62 HydrophobicContact CB-CD2 4.43Å; D59-Y62 WeakPolarHBondContact O-CB 3.36Å; D59-Y62 PolarHBondContact O-N 3.12Å; F60-Y62 PolarHBondContact O-N 2.95Å; Y62-K64 PolarHBondContact O-N 2.94Å; Y62-K64 VanDerWaalsContact O-N 3.08Å; Y62-G65 CarbonylContact O-C 3.56Å; Y62-G65 PolarHBondContact O-N 3.43Å; Y62-G65 VanDerWaalsContact O-N 3.08Å; Y62-P66 HydrophobicContact CE1-CB 4.09Å; Y62-P66 HydrophobicContact CE2-CB 4.29Å; Y62-P66 WeakPolarHBondContact O-CD 3.46Å; Y62-Y69 AromaticContact CD2-CD2 3.96Å; Y62-Y69 HydrophobicContact CD2-CD2 3.96Å; Y62-Y69 HydrophobicContact CD2-CG 4.05Å; Y62-E70 HydrophobicContact CE2-CG 4.47Å; Y62-E70 WeakPolarHBondContact CE2-OE1 3.24Å; Y62-E70 PolarHBondContact OH-OE1 3.4Å; Y62-V174 HydrophobicContact CD1-CG1 3.98Å; Y62-V174 HydrophobicContact CG-CG1 3.85Å; Y62-Y177 HydrophobicContact CE1-CD1 4.22Å; Y62-Y177 HydrophobicContact CE1-CE1 4.25Å; Y62-R178 HydrophobicContact CD1-CG 4.46Å; Y62-R178 HydrophobicContact CE1-CG 3.85Å; Y62-R178 HydrophobicContact CE2-CG 4.07Å |
| 63 | F | 72.1 | Confident | 70.9 | Confident | 76 Ų | 76 | 58 Ų | 58 | 33% | 0.333 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -64.5 | -16.3 | -178.8 | -63.5 | -64.5 | 0 | 0 | 0 | 113.7 | F60 S61 V174 Y177 | F60-F63 HydrophobicContact CB-CD2 4.37Å; F60-F63 HydrophobicContact CD1-CD2 4.18Å; F60-F63 AromaticContact CD1-CE2 3.78Å; F60-F63 HydrophobicContact CD1-CE2 3.78Å; F60-F63 HydrophobicContact CE1-CE2 4.1Å; F60-F63 HydrophobicContact CG-CD2 4.42Å; F60-F63 HydrophobicContact CG-CE2 4.43Å; F60-F63 PolarHBondContact O-N 3.31Å; S61-F63 VanDerWaalsContact C-N 3.3Å; S61-F63 PolarHBondContact O-N 3.12Å; F63-V174 HydrophobicContact CD2-CG2 4.29Å; F63-V174 HydrophobicContact CE2-CG2 3.62Å; F63-V174 HydrophobicContact CZ-CG2 4.08Å; F63-Y177 AromaticContact CE1-CD1 3.72Å; F63-Y177 HydrophobicContact CE1-CD1 3.72Å; F63-Y177 HydrophobicContact CE1-CD2 4.37Å; F63-Y177 AromaticContact CE1-CE1 3.86Å; F63-Y177 HydrophobicContact CE1-CE1 3.86Å; F63-Y177 HydrophobicContact CE1-CE2 4.49Å; F63-Y177 AromaticContact CE1-CG 3.99Å; F63-Y177 HydrophobicContact CE1-CG 3.99Å; F63-Y177 HydrophobicContact CZ-CD1 4.31Å; F63-Y177 HydrophobicContact CZ-CG 4.26Å |
| 64 | K | 72.1 | Confident | 71 | Confident | 196 Ų | 196 | 63.2 Ų | 63.2 | 85% | 0.852 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -85.3 | -13.5 | 177.1 | -64.9 | -177.1 | 178.5 | 177.5 | 0 | 113.6 | S61 Y62 | S61-K64 WeakPolarHBondContact O-CB 3.23Å; S61-K64 PolarHBondContact O-N 3.45Å; S61-K64 VanDerWaalsContact O-N 3.1Å; Y62-K64 PolarHBondContact O-N 2.94Å; Y62-K64 VanDerWaalsContact O-N 3.08Å |
| 65 | G | 69.9 | Low | 71.5 | Confident | 26 Ų | 26 | 65.4 Ų | 65.4 | 27% | 0.268 | 34% | 0.337 | S | S | . | . | trans | -168.5 | 63.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y62 E67 Y68 Y69 | Y62-G65 CarbonylContact O-C 3.56Å; Y62-G65 PolarHBondContact O-N 3.43Å; Y62-G65 VanDerWaalsContact O-N 3.08Å; G65-E67 VanDerWaalsContact C-N 3.3Å; G65-E67 PolarHBondContact O-N 3.17Å; G65-Y68 PolarHBondContact O-N 3.15Å; G65-Y69 WeakPolarHBondContact O-CD2 3.26Å | ||
| 66 | P | 71.1 | Confident | 72 | Confident | 56 Ų | 56 | 67.6 Ų | 67.6 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.3 | -36.9 | -175 | 23.3 | -32.8 | 0 | 0 | 0 | 112.7 | Y62 Y68 Y69 E70 | Y62-P66 HydrophobicContact CE1-CB 4.09Å; Y62-P66 HydrophobicContact CE2-CB 4.29Å; Y62-P66 WeakPolarHBondContact O-CD 3.46Å; P66-Y68 VanDerWaalsContact C-N 3.27Å; P66-Y68 PolarHBondContact O-N 3.26Å; P66-Y69 PolarHBondContact O-N 3.02Å; P66-E70 WeakPolarHBondContact O-CG 3.5Å; P66-E70 PolarHBondContact O-N 3.5Å |
| 67 | E | 68.9 | Low | 72 | Confident | 175 Ų | 175 | 71.6 Ų | 71.6 | 82% | 0.818 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.8 | -33.2 | -179.8 | -63.8 | 178.6 | 176.7 | 0 | 0 | 113.4 | G65 G71 | G65-E67 VanDerWaalsContact C-N 3.3Å; G65-E67 PolarHBondContact O-N 3.17Å; E67-G71 PolarHBondContact O-N 3.43Å |
| 68 | Y | 74.2 | Confident | 71.8 | Confident | 164 Ų | 164 | 77.3 Ų | 77.3 | 64% | 0.643 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -69.9 | -40.8 | 178.3 | 174.3 | -98.5 | 0 | 0 | 0 | 112.1 | G65 P66 K72 | G65-Y68 PolarHBondContact O-N 3.15Å; P66-Y68 VanDerWaalsContact C-N 3.27Å; P66-Y68 PolarHBondContact O-N 3.26Å; Y68-K72 WeakPolarHBondContact O-CB 3.07Å; Y68-K72 PolarHBondContact O-N 3.23Å |
| 69 | Y | 69.1 | Low | 71.7 | Confident | 66 Ų | 66 | 78 Ų | 78 | 26% | 0.259 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -74.9 | -44.6 | -179.1 | -70.3 | -78.6 | 0 | 0 | 0 | 111.4 | C58 Y62 G65 P66 K72 L73 | C58-Y69 VanDerWaalsContact SG-CD1 3.55Å; Y62-Y69 AromaticContact CD2-CD2 3.96Å; Y62-Y69 HydrophobicContact CD2-CD2 3.96Å; Y62-Y69 HydrophobicContact CD2-CG 4.05Å; G65-Y69 WeakPolarHBondContact O-CD2 3.26Å; P66-Y69 PolarHBondContact O-N 3.02Å; Y69-K72 PolarHBondContact O-N 3.09Å; Y69-L73 WeakPolarHBondContact O-CG 3.46Å; Y69-L73 PolarHBondContact O-N 2.63Å |
| 70 | E | 72.4 | Confident | 71.5 | Confident | 58 Ų | 58 | 79.6 Ų | 79.6 | 27% | 0.271 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 175.8 | -61.7 | -56.9 | 149.9 | 0 | 0 | 111.2 | Y62 P66 K72 L73 E74 R178 | Y62-E70 HydrophobicContact CE2-CG 4.47Å; Y62-E70 WeakPolarHBondContact CE2-OE1 3.24Å; Y62-E70 PolarHBondContact OH-OE1 3.4Å; P66-E70 WeakPolarHBondContact O-CG 3.5Å; P66-E70 PolarHBondContact O-N 3.5Å; E70-K72 VanDerWaalsContact C-N 3.29Å; E70-K72 PolarHBondContact O-N 3.05Å; E70-L73 PolarHBondContact O-N 2.68Å; E70-L73 VanDerWaalsContact O-N 3.1Å; E70-E74 WeakPolarHBondContact O-CG 3.01Å; E70-E74 PolarHBondContact O-N 2.8Å; E70-R178 IonicContact OE1-CZ 3.94Å; E70-R178 IonicContact OE1-NE 2.79Å; E70-R178 PolarHBondContact OE1-NE 2.61Å; E70-R178 IonicContact OE1-NH2 3.36Å; E70-R178 PolarHBondContact OE1-NH2 3.35Å; E70-R178 IonicContact OE2-NH2 3.39Å |
| 71 | G | 69.8 | Low | 71.2 | Confident | 36 Ų | 36 | 82.8 Ų | 82.8 | 37% | 0.371 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.2 | -30.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | E67 A75 | E67-G71 PolarHBondContact O-N 3.43Å; G71-A75 WeakPolarHBondContact O-CB 3.47Å; G71-A75 PolarHBondContact O-N 2.93Å; G71-A75 VanDerWaalsContact O-N 3.12Å |
| 72 | K | 72.2 | Confident | 71.4 | Confident | 74 Ų | 74 | 81.4 Ų | 81.4 | 32% | 0.322 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.6 | -33.3 | 174.4 | -169.4 | -176.7 | 175.6 | -169.2 | 0 | 112 | D55 Y68 Y69 E70 | D55-K72 IonicContact OD1-NZ 3.27Å; D55-K72 PolarHBondContact OD1-NZ 3.29Å; D55-K72 IonicContact OD2-NZ 3.31Å; Y68-K72 WeakPolarHBondContact O-CB 3.07Å; Y68-K72 PolarHBondContact O-N 3.23Å; Y69-K72 PolarHBondContact O-N 3.09Å; E70-K72 VanDerWaalsContact C-N 3.29Å; E70-K72 PolarHBondContact O-N 3.05Å |
| 73 | L | 69.1 | Low | 71.5 | Confident | 7 Ų | 7 | 81.6 Ų | 81.6 | 4% | 0.037 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -74.4 | -45.8 | 175.9 | -66.8 | 167.7 | 0 | 0 | 0 | 110.7 | I56 Y69 E70 A75 K76 L79 Q80 | I56-L73 HydrophobicContact CG1-CD2 4.28Å; Y69-L73 WeakPolarHBondContact O-CG 3.46Å; Y69-L73 PolarHBondContact O-N 2.63Å; E70-L73 PolarHBondContact O-N 2.68Å; E70-L73 VanDerWaalsContact O-N 3.1Å; L73-A75 VanDerWaalsContact C-N 3.28Å; L73-A75 PolarHBondContact O-N 3.29Å; L73-K76 PolarHBondContact O-N 3.34Å; L73-K76 VanDerWaalsContact O-N 3.17Å; L73-K76 VanDerWaalsContact O-O 3.1Å; L73-L79 HydrophobicContact CD2-CB 4.19Å; L73-Q80 WeakPolarHBondContact O-CG 3.29Å |
| 74 | E | 68.9 | Low | 71.6 | Confident | 138 Ų | 138 | 83.5 Ų | 83.5 | 65% | 0.645 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.2 | -31.7 | 176.9 | -71.4 | -176.3 | 173.3 | 0 | 0 | 113.7 | E70 K76 | E70-E74 WeakPolarHBondContact O-CG 3.01Å; E70-E74 PolarHBondContact O-N 2.8Å; E74-K76 PolarHBondContact O-N 3.19Å |
| 75 | A | 73.9 | Confident | 71.5 | Confident | 77 Ų | 77 | 76.4 Ų | 76.4 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -17.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | G71 L73 | G71-A75 WeakPolarHBondContact O-CB 3.47Å; G71-A75 PolarHBondContact O-N 2.93Å; G71-A75 VanDerWaalsContact O-N 3.12Å; L73-A75 VanDerWaalsContact C-N 3.28Å; L73-A75 PolarHBondContact O-N 3.29Å |
| 76 | K | 75.7 | Confident | 71.8 | Confident | 111 Ų | 111 | 75.6 Ų | 75.6 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | trans | -131.2 | 107.4 | -176.1 | -72.2 | -176.1 | 179.6 | 178.9 | 0 | 111.7 | L73 E74 D78 L79 Q80 | L73-K76 PolarHBondContact O-N 3.34Å; L73-K76 VanDerWaalsContact O-N 3.17Å; L73-K76 VanDerWaalsContact O-O 3.1Å; E74-K76 PolarHBondContact O-N 3.19Å; K76-D78 VanDerWaalsContact C-N 3.26Å; K76-D78 PolarHBondContact O-N 2.93Å; K76-L79 HydrophobicContact CB-CB 4.12Å; K76-L79 HydrophobicContact CB-CD1 4Å; K76-L79 HydrophobicContact CB-CG 3.99Å; K76-L79 HydrophobicContact CD-CD1 3.68Å; K76-L79 HydrophobicContact CD-CG 4.15Å; K76-L79 HydrophobicContact CG-CD1 4.43Å; K76-L79 PolarHBondContact O-N 2.98Å; K76-Q80 PolarHBondContact O-N 3.44Å | ||
| 77 | P | 70.4 | Confident | 72.1 | Confident | 83 Ų | 83 | 77.8 Ų | 77.8 | 54% | 0.539 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62 | -32 | -180 | 24.3 | -32.9 | 0 | 0 | 0 | 113 | L79 Q80 D81 | P77-L79 VanDerWaalsContact C-N 3.25Å; P77-L79 PolarHBondContact O-N 3.29Å; P77-Q80 PolarHBondContact O-N 2.96Å; P77-D81 PolarHBondContact O-N 3.41Å |
| 78 | D | 70.5 | Confident | 72.4 | Confident | 132 Ų | 132 | 75 Ų | 75 | 71% | 0.706 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.5 | -28.7 | 176.3 | -58.7 | -31.4 | 0 | 0 | 0 | 112.9 | K76 L82 | K76-D78 VanDerWaalsContact C-N 3.26Å; K76-D78 PolarHBondContact O-N 2.93Å; D78-L82 WeakPolarHBondContact O-CB 3.3Å; D78-L82 PolarHBondContact O-N 3.3Å |
| 79 | L | 70.5 | Confident | 72.4 | Confident | 23 Ų | 23 | 68.2 Ų | 68.2 | 12% | 0.12 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -81.9 | -32 | 176.2 | -70.7 | -178.1 | 0 | 0 | 0 | 111.9 | D55 L73 K76 P77 L82 D83 | D55-L79 HydrophobicContact CB-CD1 4.44Å; L73-L79 HydrophobicContact CD2-CB 4.19Å; K76-L79 HydrophobicContact CB-CB 4.12Å; K76-L79 HydrophobicContact CB-CD1 4Å; K76-L79 HydrophobicContact CB-CG 3.99Å; K76-L79 HydrophobicContact CD-CD1 3.68Å; K76-L79 HydrophobicContact CD-CG 4.15Å; K76-L79 HydrophobicContact CG-CD1 4.43Å; K76-L79 PolarHBondContact O-N 2.98Å; P77-L79 VanDerWaalsContact C-N 3.25Å; P77-L79 PolarHBondContact O-N 3.29Å; L79-L82 PolarHBondContact O-N 2.9Å; L79-D83 WeakPolarHBondContact O-CB 3.43Å; L79-D83 PolarHBondContact O-N 3.05Å |
| 80 | Q | 72.6 | Confident | 72.9 | Confident | 78 Ų | 78 | 65.6 Ų | 65.6 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.4 | -47.1 | 173.4 | -69.3 | -173.7 | -39.1 | 0 | 0 | 111.3 | L73 K76 P77 L82 D83 E84 | L73-Q80 WeakPolarHBondContact O-CG 3.29Å; K76-Q80 PolarHBondContact O-N 3.44Å; P77-Q80 PolarHBondContact O-N 2.96Å; Q80-L82 PolarHBondContact O-N 3.43Å; Q80-D83 PolarHBondContact O-N 3.36Å; Q80-D83 VanDerWaalsContact O-N 3.14Å; Q80-E84 PolarHBondContact O-N 3.33Å |
| 81 | D | 70.6 | Confident | 73.2 | Confident | 92 Ų | 92 | 65 Ų | 65 | 49% | 0.492 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.4 | -38.4 | 175.7 | -79.5 | -13.3 | 0 | 0 | 0 | 111 | P77 E85 | P77-D81 PolarHBondContact O-N 3.41Å; D81-E85 WeakPolarHBondContact O-CB 3.44Å; D81-E85 PolarHBondContact O-N 3.15Å |
| 82 | L | 72.1 | Confident | 73.7 | Confident | 24 Ų | 24 | 69.8 Ų | 69.8 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72 | -34.6 | 177.5 | -171.7 | 65.7 | 0 | 0 | 0 | 112.9 | K52 Y53 I56 D78 L79 Q80 F86 | K52-L82 HydrophobicContact CG-CD2 4.12Å; K52-L82 WeakPolarHBondContact O-CD2 3.38Å; Y53-L82 HydrophobicContact CD1-CD2 4.46Å; Y53-L82 HydrophobicContact CE1-CD1 3.99Å; Y53-L82 HydrophobicContact CE1-CD2 4.48Å; Y53-L82 HydrophobicContact CE1-CG 4.31Å; I56-L82 HydrophobicContact CD1-CB 3.9Å; I56-L82 HydrophobicContact CD1-CD2 3.59Å; I56-L82 HydrophobicContact CD1-CG 3.54Å; D78-L82 WeakPolarHBondContact O-CB 3.3Å; D78-L82 PolarHBondContact O-N 3.3Å; L79-L82 PolarHBondContact O-N 2.9Å; Q80-L82 PolarHBondContact O-N 3.43Å; L82-F86 VanDerWaalsContact O-CB 3.31Å; L82-F86 WeakPolarHBondContact O-CB 3.25Å; L82-F86 PolarHBondContact O-N 3.09Å |
| 83 | D | 74.6 | Confident | 74.1 | Confident | 22 Ų | 22 | 67.4 Ų | 67.4 | 12% | 0.118 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.8 | -40.6 | 176 | -166.6 | 34.4 | 0 | 0 | 0 | 111.3 | I56 L79 Q80 F86 R87 R178 Y179 | I56-D83 HydrophobicContact CD1-CB 4.4Å; I56-D83 HydrophobicContact CG2-CB 4.34Å; I56-D83 WeakPolarHBondContact CG2-OD1 3.17Å; L79-D83 WeakPolarHBondContact O-CB 3.43Å; L79-D83 PolarHBondContact O-N 3.05Å; Q80-D83 PolarHBondContact O-N 3.36Å; Q80-D83 VanDerWaalsContact O-N 3.14Å; D83-F86 PolarHBondContact O-N 3.24Å; D83-R87 WeakPolarHBondContact O-CB 3.01Å; D83-R87 PolarHBondContact O-N 3.01Å; D83-R178 IonicContact OD1-NH1 3.08Å; D83-R178 IonicContact OD2-CZ 3.06Å; D83-R178 IonicContact OD2-NH1 3.96Å; D83-R178 IonicContact OD2-NH2 2.76Å; D83-R178 PolarHBondContact OD2-NH2 2.68Å; D83-Y179 VanDerWaalsContact OD1-CE1 3.26Å; D83-Y179 WeakPolarHBondContact OD1-CE1 3.46Å; D83-Y179 PolarHBondContact OD1-OH 3.25Å |
| 84 | E | 74.1 | Confident | 74.6 | Confident | 115 Ų | 115 | 67.1 Ų | 67.1 | 54% | 0.537 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 172.3 | -73.8 | -174.2 | 176.9 | 0 | 0 | 111.5 | Q80 F86 R87 E88 | Q80-E84 PolarHBondContact O-N 3.33Å; E84-F86 VanDerWaalsContact C-N 3.29Å; E84-F86 PolarHBondContact O-N 3.49Å; E84-R87 PolarHBondContact O-N 2.99Å; E84-E88 PolarHBondContact O-N 3.16Å |
| 85 | E | 71.6 | Confident | 75.3 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.9 | -42 | 174.2 | -167.8 | -167 | 149.1 | 0 | 0 | 111.2 | D81 N89 R798 K800 | D81-E85 WeakPolarHBondContact O-CB 3.44Å; D81-E85 PolarHBondContact O-N 3.15Å; E85-N89 VanDerWaalsContact O-CG 3.3Å; E85-N89 PolarHBondContact O-N 3.18Å; E85-N89 PolarHBondContact O-ND2 2.96Å; E85-R798 WeakPolarHBondContact CG-O 3.46Å; E85-K800 WeakPolarHBondContact OE1-CE 3.46Å; E85-K800 IonicContact OE1-NZ 3.55Å; E85-K800 PolarHBondContact OE1-NZ 3.06Å |
| 86 | F | 76.3 | Confident | 75.7 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 4% | 0.035 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.2 | -38.5 | 179.3 | -170.7 | -91.8 | 0 | 0 | 0 | 112.4 | V41 F42 Y53 I57 L82 D83 E84 N90 Y179 | V41-F86 HydrophobicContact CB-CE2 4.42Å; V41-F86 HydrophobicContact CG1-CE2 3.74Å; V41-F86 HydrophobicContact CG1-CZ 4.33Å; F42-F86 HydrophobicContact CE1-CE1 4.1Å; F42-F86 AromaticContact CE1-CZ 3.92Å; F42-F86 HydrophobicContact CE1-CZ 3.92Å; F42-F86 HydrophobicContact CE2-CZ 4.13Å; F42-F86 AromaticContact CZ-CE1 3.72Å; F42-F86 HydrophobicContact CZ-CE1 3.72Å; F42-F86 AromaticContact CZ-CZ 3.54Å; F42-F86 HydrophobicContact CZ-CZ 3.54Å; Y53-F86 AromaticContact CD1-CD2 3.99Å; Y53-F86 HydrophobicContact CD1-CD2 3.99Å; Y53-F86 HydrophobicContact CD1-CE2 4.4Å; Y53-F86 HydrophobicContact CE1-CD2 4.1Å; I57-F86 HydrophobicContact CD1-CE2 4.36Å; I57-F86 HydrophobicContact CD1-CZ 4.05Å; I57-F86 HydrophobicContact CG1-CZ 4.23Å; L82-F86 VanDerWaalsContact O-CB 3.31Å; L82-F86 WeakPolarHBondContact O-CB 3.25Å; L82-F86 PolarHBondContact O-N 3.09Å; D83-F86 PolarHBondContact O-N 3.24Å; E84-F86 VanDerWaalsContact C-N 3.29Å; E84-F86 PolarHBondContact O-N 3.49Å; F86-N90 WeakPolarHBondContact CD2-ND2 3.49Å; F86-N90 HydrophobicContact CE1-CB 4.49Å; F86-N90 WeakPolarHBondContact CE2-ND2 3.44Å; F86-N90 WeakPolarHBondContact CZ-ND2 3.36Å; F86-N90 WeakPolarHBondContact O-CB 2.98Å; F86-N90 PolarHBondContact O-N 3.37Å; F86-N90 PolarHBondContact O-ND2 3.1Å; F86-Y179 AromaticContact CD1-CE2 3.87Å; F86-Y179 HydrophobicContact CD1-CE2 3.87Å; F86-Y179 AromaticContact CD1-CZ 3.94Å; F86-Y179 VanDerWaalsContact CD1-OH 3.24Å; F86-Y179 WeakPolarHBondContact CD1-OH 3.17Å; F86-Y179 HydrophobicContact CE1-CE2 4.22Å |
| 87 | R | 76.4 | Confident | 76 | Confident | 102 Ų | 102 | 58.7 Ų | 58.7 | 39% | 0.385 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -53.9 | 176.7 | 177.6 | 179.6 | -175.6 | -152.8 | 5.4 | 111.6 | D83 E84 N89 N90 I91 Y179 | D83-R87 WeakPolarHBondContact O-CB 3.01Å; D83-R87 PolarHBondContact O-N 3.01Å; E84-R87 PolarHBondContact O-N 2.99Å; R87-N89 PolarHBondContact O-N 3.13Å; R87-N90 PolarHBondContact O-N 3.39Å; R87-I91 WeakPolarHBondContact O-CB 3.41Å; R87-I91 PolarHBondContact O-N 3.19Å; R87-I91 VanDerWaalsContact O-N 3.1Å; R87-Y179 HydrophobicContact CB-CD1 3.75Å; R87-Y179 HydrophobicContact CB-CD2 4.24Å; R87-Y179 HydrophobicContact CB-CE1 3.82Å; R87-Y179 HydrophobicContact CB-CE2 4.31Å; R87-Y179 HydrophobicContact CB-CG 3.99Å; R87-Y179 HydrophobicContact CG-CD1 3.67Å; R87-Y179 HydrophobicContact CG-CD2 4.17Å; R87-Y179 HydrophobicContact CG-CE1 4.27Å; R87-Y179 HydrophobicContact CG-CG 3.63Å; R87-Y179 PolarHBondContact NE-O 3.28Å; R87-Y179 PolarHBondContact NH2-O 3.12Å |
| 88 | E | 76 | Confident | 76.7 | Confident | 116 Ų | 116 | 55.5 Ų | 55.5 | 54% | 0.542 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.5 | -38 | -177.3 | -72.7 | -174.5 | 173.4 | 0 | 0 | 111.8 | E84 | E84-E88 PolarHBondContact O-N 3.16Å |
| 89 | N | 74.4 | Confident | 77.4 | Confident | 23 Ų | 23 | 53.8 Ų | 53.8 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76.9 | -31.9 | -177.1 | -69.4 | -43.1 | 0 | 0 | 0 | 113.6 | E85 R87 K800 Q802 | E85-N89 VanDerWaalsContact O-CG 3.3Å; E85-N89 PolarHBondContact O-N 3.18Å; E85-N89 PolarHBondContact O-ND2 2.96Å; R87-N89 PolarHBondContact O-N 3.13Å; N89-K800 PolarHBondContact OD1-N 3.31Å; N89-Q802 PolarHBondContact O-NE2 2.92Å |
| 90 | N | 78 | Confident | 78.1 | Confident | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.059 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -112.1 | -8.6 | -168.1 | -64.5 | -56.5 | 0 | 0 | 0 | 115.7 | F86 R87 E92 I93 L94 | F86-N90 WeakPolarHBondContact CD2-ND2 3.49Å; F86-N90 HydrophobicContact CE1-CB 4.49Å; F86-N90 WeakPolarHBondContact CE2-ND2 3.44Å; F86-N90 WeakPolarHBondContact CZ-ND2 3.36Å; F86-N90 WeakPolarHBondContact O-CB 2.98Å; F86-N90 PolarHBondContact O-N 3.37Å; F86-N90 PolarHBondContact O-ND2 3.1Å; R87-N90 PolarHBondContact O-N 3.39Å; N90-E92 VanDerWaalsContact C-N 3.33Å; N90-E92 PolarHBondContact O-N 3.46Å; N90-I93 PolarHBondContact O-N 3.35Å; N90-L94 HydrophobicContact CB-CD1 4.37Å; N90-L94 WeakPolarHBondContact O-CG 3.42Å; N90-L94 PolarHBondContact O-N 3.1Å |
| 91 | I | 80.6 | Confident | 78.7 | Confident | 46 Ų | 46 | 49.5 Ų | 49.5 | 24% | 0.236 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -36.9 | -172.9 | -170.4 | 60.2 | 0 | 0 | 0 | 114 | R87 L94 S95 Y176 | R87-I91 WeakPolarHBondContact O-CB 3.41Å; R87-I91 PolarHBondContact O-N 3.19Å; R87-I91 VanDerWaalsContact O-N 3.1Å; I91-L94 PolarHBondContact O-N 3.02Å; I91-S95 WeakPolarHBondContact O-CB 2.95Å; I91-S95 PolarHBondContact O-N 3.2Å; I91-S95 PolarHBondContact O-OG 2.79Å; I91-Y176 HydrophobicContact CD1-CD2 4.42Å |
| 92 | E | 78.8 | Confident | 79.4 | Confident | 136 Ų | 136 | 46.5 Ų | 46.5 | 64% | 0.636 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -64.7 | -44.6 | 179.8 | -67 | -173.3 | 162.7 | 0 | 0 | 111.7 | N90 S95 R96 | N90-E92 VanDerWaalsContact C-N 3.33Å; N90-E92 PolarHBondContact O-N 3.46Å; E92-S95 PolarHBondContact O-N 2.95Å; E92-R96 PolarHBondContact O-N 2.94Å; E92-R96 VanDerWaalsContact O-N 3.16Å |
| 93 | I | 80.3 | Confident | 80.1 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -50.7 | 177.3 | -55.3 | 165.9 | 0 | 0 | 0 | 109.6 | P39 N90 S95 R96 F97 W804 | P39-I93 HydrophobicContact CG-CD1 3.96Å; P39-I93 HydrophobicContact CG-CG2 4.19Å; N90-I93 PolarHBondContact O-N 3.35Å; I93-S95 PolarHBondContact O-N 3.43Å; I93-R96 WeakPolarHBondContact O-CB 3.41Å; I93-R96 PolarHBondContact O-N 2.68Å; I93-F97 HydrophobicContact CG2-CD2 3.63Å; I93-F97 HydrophobicContact CG2-CE2 3.5Å; I93-F97 WeakPolarHBondContact O-CD2 2.84Å; I93-F97 PolarHBondContact O-N 2.94Å; I93-W804 HydrophobicContact CD1-CH2 3.02Å; I93-W804 HydrophobicContact CD1-CZ2 3.31Å; I93-W804 HydrophobicContact CD1-CZ3 3.98Å; I93-W804 HydrophobicContact CG1-CH2 3.93Å; I93-W804 HydrophobicContact CG1-CZ2 3.79Å |
| 94 | L | 81.1 | Confident | 80.6 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.8 | -39.8 | -179.3 | -70.5 | 175.4 | 0 | 0 | 0 | 111.7 | F42 N90 I91 R96 F97 Y98 M172 Y176 Y179 | F42-L94 HydrophobicContact CE1-CD2 4.46Å; F42-L94 HydrophobicContact CE2-CD2 4.09Å; F42-L94 HydrophobicContact CZ-CD1 4.26Å; F42-L94 HydrophobicContact CZ-CD2 3.78Å; F42-L94 HydrophobicContact CZ-CG 4.37Å; N90-L94 HydrophobicContact CB-CD1 4.37Å; N90-L94 WeakPolarHBondContact O-CG 3.42Å; N90-L94 PolarHBondContact O-N 3.1Å; I91-L94 PolarHBondContact O-N 3.02Å; L94-R96 VanDerWaalsContact C-N 3.35Å; L94-R96 PolarHBondContact O-N 2.61Å; L94-F97 PolarHBondContact O-N 3.43Å; L94-Y98 WeakPolarHBondContact O-CB 3.4Å; L94-Y98 PolarHBondContact O-N 3.46Å; L94-M172 HydrophobicContact CD2-CB 3.85Å; L94-M172 HydrophobicContact CD2-CE 4.07Å; L94-M172 HydrophobicContact CD2-CG 4.05Å; L94-Y176 HydrophobicContact CB-CD2 4.07Å; L94-Y179 HydrophobicContact CD1-CD2 4.12Å; L94-Y179 HydrophobicContact CD1-CE2 4.41Å |
| 95 | S | 82.8 | Confident | 81.2 | Confident | 36 Ų | 36 | 42 Ų | 42 | 25% | 0.252 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 175.4 | -58 | 0 | 0 | 0 | 0 | 112 | I91 E92 I93 Y98 L99 | I91-S95 WeakPolarHBondContact O-CB 2.95Å; I91-S95 PolarHBondContact O-N 3.2Å; I91-S95 PolarHBondContact O-OG 2.79Å; E92-S95 PolarHBondContact O-N 2.95Å; I93-S95 PolarHBondContact O-N 3.43Å; S95-Y98 PolarHBondContact O-N 3.45Å; S95-L99 WeakPolarHBondContact O-CG 3.25Å; S95-L99 PolarHBondContact O-N 3.28Å |
| 96 | R | 82.1 | Confident | 81.9 | Confident | 110 Ų | 110 | 44 Ų | 44 | 42% | 0.415 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.3 | -42.3 | 177.8 | -166.5 | 179.6 | 174.5 | 170.2 | 0.4 | 112.4 | E30 L34 E92 I93 L94 L99 A100 | E30-R96 IonicContact OE1-CZ 3.85Å; E30-R96 IonicContact OE1-NE 2.8Å; E30-R96 PolarHBondContact OE1-NE 2.95Å; E30-R96 IonicContact OE1-NH2 3Å; E30-R96 PolarHBondContact OE1-NH2 3.44Å; E30-R96 IonicContact OE2-NH2 3.19Å; E30-R96 PolarHBondContact OE2-NH2 3.27Å; L34-R96 HydrophobicContact CD2-CG 3.93Å; E92-R96 PolarHBondContact O-N 2.94Å; E92-R96 VanDerWaalsContact O-N 3.16Å; I93-R96 WeakPolarHBondContact O-CB 3.41Å; I93-R96 PolarHBondContact O-N 2.68Å; L94-R96 VanDerWaalsContact C-N 3.35Å; L94-R96 PolarHBondContact O-N 2.61Å; R96-L99 PolarHBondContact O-N 2.63Å; R96-A100 PolarHBondContact O-N 2.8Å; R96-A100 VanDerWaalsContact O-N 3.14Å |
| 97 | F | 83.5 | Confident | 82.4 | Confident | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 174 | -84.8 | -88.2 | 0 | 0 | 0 | 111.9 | L34 I38 I93 L94 L99 A100 F101 I164 M172 | L34-F97 HydrophobicContact CB-CD1 4.25Å; L34-F97 HydrophobicContact CB-CE1 3.76Å; L34-F97 HydrophobicContact CB-CZ 3.99Å; L34-F97 HydrophobicContact CD1-CD1 4.33Å; L34-F97 HydrophobicContact CD2-CD2 4.31Å; L34-F97 HydrophobicContact CD2-CE2 4.15Å; L34-F97 HydrophobicContact CD2-CZ 4.32Å; L34-F97 WeakPolarHBondContact O-CZ 2.83Å; I38-F97 HydrophobicContact CB-CZ 4.5Å; I38-F97 HydrophobicContact CG1-CE1 3.98Å; I38-F97 HydrophobicContact CG1-CZ 3.76Å; I93-F97 HydrophobicContact CG2-CD2 3.63Å; I93-F97 HydrophobicContact CG2-CE2 3.5Å; I93-F97 WeakPolarHBondContact O-CD2 2.84Å; I93-F97 PolarHBondContact O-N 2.94Å; L94-F97 PolarHBondContact O-N 3.43Å; F97-L99 PolarHBondContact O-N 2.93Å; F97-A100 PolarHBondContact O-N 2.86Å; F97-F101 HydrophobicContact CB-CE2 4.29Å; F97-F101 HydrophobicContact CD1-CE2 4.5Å; F97-F101 HydrophobicContact CD1-CZ 4.34Å; F97-F101 WeakPolarHBondContact O-CD2 3.09Å; F97-F101 WeakPolarHBondContact O-CG 2.95Å; F97-F101 PolarHBondContact O-N 3.38Å; F97-I164 HydrophobicContact CE1-CD1 4.37Å; F97-M172 HydrophobicContact CB-CE 3.89Å; F97-M172 HydrophobicContact CD1-CE 3.66Å; F97-M172 HydrophobicContact CD2-CE 3.28Å; F97-M172 HydrophobicContact CE1-CE 3.9Å; F97-M172 HydrophobicContact CE2-CE 3.56Å; F97-M172 HydrophobicContact CG-CE 3.32Å; F97-M172 HydrophobicContact CZ-CE 3.85Å |
| 98 | Y | 84.1 | Confident | 82.8 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 6% | 0.059 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 176.9 | 178 | -97.5 | 0 | 0 | 0 | 112.3 | L94 S95 A100 F101 E102 L173 Y176 L190 I193 | L94-Y98 WeakPolarHBondContact O-CB 3.4Å; L94-Y98 PolarHBondContact O-N 3.46Å; S95-Y98 PolarHBondContact O-N 3.45Å; Y98-A100 VanDerWaalsContact C-N 3.32Å; Y98-A100 PolarHBondContact O-N 3.38Å; Y98-F101 PolarHBondContact O-N 3.27Å; Y98-E102 WeakPolarHBondContact O-CB 3.12Å; Y98-E102 PolarHBondContact O-N 2.95Å; Y98-L173 HydrophobicContact CD2-CD2 4.06Å; Y98-Y176 HydrophobicContact CD1-CD1 4.34Å; Y98-Y176 AromaticContact CD1-CE1 3.54Å; Y98-Y176 HydrophobicContact CD1-CE1 3.54Å; Y98-Y176 AromaticContact CD1-CZ 3.78Å; Y98-Y176 AromaticContact CD2-CD1 3.64Å; Y98-Y176 HydrophobicContact CD2-CD1 3.64Å; Y98-Y176 AromaticContact CD2-CE1 3.62Å; Y98-Y176 HydrophobicContact CD2-CE1 3.62Å; Y98-Y176 AromaticContact CE1-CE1 3.94Å; Y98-Y176 HydrophobicContact CE1-CE1 3.94Å; Y98-Y176 HydrophobicContact CE2-CD1 4.24Å; Y98-Y176 HydrophobicContact CE2-CE1 4.01Å; Y98-Y176 AromaticContact CG-CD1 3.7Å; Y98-Y176 HydrophobicContact CG-CD1 3.7Å; Y98-Y176 AromaticContact CG-CE1 3.36Å; Y98-Y176 HydrophobicContact CG-CE1 3.36Å; Y98-Y176 HydrophobicContact CG-CG 4.43Å; Y98-Y176 AromaticContact CG-CZ 3.86Å; Y98-L190 HydrophobicContact CE2-CD1 3.83Å; Y98-L190 HydrophobicContact CE2-CG 4.21Å; Y98-I193 HydrophobicContact CE2-CD1 3.96Å |
| 99 | L | 84.7 | Confident | 83.2 | Confident | 96 Ų | 96 | 36.9 Ų | 36.9 | 50% | 0.503 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.3 | -37.1 | 177.3 | -71.8 | 170.6 | 0 | 0 | 0 | 112.8 | S95 R96 F97 E102 S103 | S95-L99 WeakPolarHBondContact O-CG 3.25Å; S95-L99 PolarHBondContact O-N 3.28Å; R96-L99 PolarHBondContact O-N 2.63Å; F97-L99 PolarHBondContact O-N 2.93Å; L99-E102 PolarHBondContact O-N 3.32Å; L99-S103 WeakPolarHBondContact O-CB 3.3Å; L99-S103 PolarHBondContact O-N 3.29Å; L99-S103 PolarHBondContact O-OG 3.3Å |
| 100 | A | 85.2 | Confident | 83.7 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 7% | 0.066 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L31 L34 R96 F97 Y98 S103 V104 | L31-A100 HydrophobicContact CD2-CB 4.36Å; L34-A100 HydrophobicContact CD1-CB 3.41Å; L34-A100 VanDerWaalsContact CD1-CB 3.41Å; R96-A100 PolarHBondContact O-N 2.8Å; R96-A100 VanDerWaalsContact O-N 3.14Å; F97-A100 PolarHBondContact O-N 2.86Å; Y98-A100 VanDerWaalsContact C-N 3.32Å; Y98-A100 PolarHBondContact O-N 3.38Å; A100-S103 WeakPolarHBondContact O-CB 3.28Å; A100-S103 PolarHBondContact O-N 2.81Å; A100-V104 WeakPolarHBondContact O-CG2 2.9Å; A100-V104 PolarHBondContact O-N 3.47Å |
| 101 | F | 85.8 | Confident | 84 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 175.1 | -69.7 | -32 | 0 | 0 | 0 | 113.1 | L31 F97 Y98 S103 V104 H105 I160 I164 R169 L173 I193 L197 | L31-F101 HydrophobicContact CD2-CE1 4.49Å; F97-F101 HydrophobicContact CB-CE2 4.29Å; F97-F101 HydrophobicContact CD1-CE2 4.5Å; F97-F101 HydrophobicContact CD1-CZ 4.34Å; F97-F101 WeakPolarHBondContact O-CD2 3.09Å; F97-F101 WeakPolarHBondContact O-CG 2.95Å; F97-F101 PolarHBondContact O-N 3.38Å; Y98-F101 PolarHBondContact O-N 3.27Å; F101-S103 VanDerWaalsContact C-N 3.29Å; F101-S103 PolarHBondContact O-N 3.46Å; F101-V104 PolarHBondContact O-N 3.41Å; F101-H105 PolarHBondContact O-N 3.13Å; F101-I160 HydrophobicContact CE1-CG2 4.5Å; F101-I164 HydrophobicContact CE1-CD1 4.07Å; F101-I164 HydrophobicContact CZ-CD1 4.03Å; F101-R169 HydrophobicContact CZ-CG 4.2Å; F101-L173 HydrophobicContact CD2-CD2 3.96Å; F101-L173 HydrophobicContact CD2-CG 4.47Å; F101-I193 HydrophobicContact CB-CG2 4.14Å; F101-L197 HydrophobicContact CB-CD1 3.51Å; F101-L197 HydrophobicContact CD1-CD1 3.52Å; F101-L197 HydrophobicContact CD1-CD2 4.13Å; F101-L197 HydrophobicContact CD2-CD1 3.67Å; F101-L197 HydrophobicContact CE1-CD1 4.14Å; F101-L197 HydrophobicContact CE1-CD2 4.36Å; F101-L197 HydrophobicContact CE2-CD1 4.25Å; F101-L197 HydrophobicContact CG-CD1 3.27Å; F101-L197 HydrophobicContact CZ-CD1 4.47Å |
| 102 | E | 85.3 | Confident | 84.2 | Confident | 30 Ų | 30 | 37.4 Ų | 37.4 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -39.3 | 173.3 | -171.2 | -167.4 | -158.2 | 0 | 0 | 111.3 | Y98 L99 V104 H105 K106 I193 | Y98-E102 WeakPolarHBondContact O-CB 3.12Å; Y98-E102 PolarHBondContact O-N 2.95Å; L99-E102 PolarHBondContact O-N 3.32Å; E102-V104 VanDerWaalsContact C-N 3.32Å; E102-V104 PolarHBondContact O-N 3.29Å; E102-H105 PolarHBondContact O-N 3.16Å; E102-H105 VanDerWaalsContact O-N 3.17Å; E102-K106 VanDerWaalsContact CD-CE 3.42Å; E102-K106 HydrophobicContact CG-CD 4.18Å; E102-K106 HydrophobicContact CG-CG 4.45Å; E102-K106 WeakPolarHBondContact O-CG 3.45Å; E102-K106 PolarHBondContact O-N 3.44Å; E102-K106 WeakPolarHBondContact OE1-CE 3.33Å; E102-K106 IonicContact OE1-NZ 2.68Å; E102-K106 PolarHBondContact OE1-NZ 2.98Å; E102-K106 IonicContact OE2-NZ 3.42Å; E102-K106 PolarHBondContact OE2-NZ 3.01Å; E102-I193 HydrophobicContact CB-CD1 3.93Å; E102-I193 HydrophobicContact CG-CD1 3.99Å |
| 103 | S | 86.1 | Confident | 84.4 | Confident | 46 Ų | 46 | 38.7 Ų | 38.7 | 32% | 0.322 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.1 | -36.3 | 178.7 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | L99 A100 F101 K106 Y107 | L99-S103 WeakPolarHBondContact O-CB 3.3Å; L99-S103 PolarHBondContact O-N 3.29Å; L99-S103 PolarHBondContact O-OG 3.3Å; A100-S103 WeakPolarHBondContact O-CB 3.28Å; A100-S103 PolarHBondContact O-N 2.81Å; F101-S103 VanDerWaalsContact C-N 3.29Å; F101-S103 PolarHBondContact O-N 3.46Å; S103-K106 PolarHBondContact O-N 3.17Å; S103-Y107 WeakPolarHBondContact O-CB 3.31Å; S103-Y107 PolarHBondContact O-N 3.27Å |
| 104 | V | 86.3 | Confident | 84.4 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 173.8 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | I27 L31 A100 F101 E102 Y107 I108 Y153 M156 I160 L196 | I27-V104 HydrophobicContact CG2-CG2 3.61Å; L31-V104 HydrophobicContact CD1-CG2 3.98Å; A100-V104 WeakPolarHBondContact O-CG2 2.9Å; A100-V104 PolarHBondContact O-N 3.47Å; F101-V104 PolarHBondContact O-N 3.41Å; E102-V104 VanDerWaalsContact C-N 3.32Å; E102-V104 PolarHBondContact O-N 3.29Å; V104-Y107 WeakPolarHBondContact O-CB 3.42Å; V104-I108 PolarHBondContact O-N 3.37Å; V104-Y153 HydrophobicContact CG1-CE2 4.29Å; V104-M156 HydrophobicContact CG1-SD 4.36Å; V104-M156 HydrophobicContact CG2-SD 4.39Å; V104-I160 HydrophobicContact CG1-CD1 4.37Å; V104-I160 HydrophobicContact CG2-CD1 4.1Å; V104-L196 HydrophobicContact CG1-CD2 4.25Å |
| 105 | H | 85.8 | Confident | 84.2 | Confident | 18 Ų | 18 | 38 Ų | 38 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.6 | -44 | 176.4 | -176.4 | -96.9 | 0 | 0 | 0 | 111.8 | F101 E102 Y107 I108 V109 I193 L196 | F101-H105 PolarHBondContact O-N 3.13Å; E102-H105 PolarHBondContact O-N 3.16Å; E102-H105 VanDerWaalsContact O-N 3.17Å; H105-Y107 VanDerWaalsContact C-N 3.28Å; H105-Y107 PolarHBondContact O-N 3.18Å; H105-I108 WeakPolarHBondContact O-CG2 3.43Å; H105-I108 PolarHBondContact O-N 2.99Å; H105-V109 WeakPolarHBondContact O-CG2 3.37Å; H105-V109 PolarHBondContact O-N 2.9Å; H105-I193 HydrophobicContact CB-CG1 4.2Å; H105-L196 HydrophobicContact CB-CD2 4.45Å |
| 106 | K | 86.1 | Confident | 84.2 | Confident | 91 Ų | 91 | 40.8 Ų | 40.8 | 40% | 0.396 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.5 | -39.3 | 175.5 | -75.7 | 175.6 | 178 | 162.3 | 0 | 111.9 | E102 S103 I108 V109 D110 | E102-K106 VanDerWaalsContact CD-CE 3.42Å; E102-K106 HydrophobicContact CG-CD 4.18Å; E102-K106 HydrophobicContact CG-CG 4.45Å; E102-K106 WeakPolarHBondContact O-CG 3.45Å; E102-K106 PolarHBondContact O-N 3.44Å; E102-K106 WeakPolarHBondContact OE1-CE 3.33Å; E102-K106 IonicContact OE1-NZ 2.68Å; E102-K106 PolarHBondContact OE1-NZ 2.98Å; E102-K106 IonicContact OE2-NZ 3.42Å; E102-K106 PolarHBondContact OE2-NZ 3.01Å; S103-K106 PolarHBondContact O-N 3.17Å; K106-I108 PolarHBondContact O-N 3.44Å; K106-V109 PolarHBondContact O-N 3.29Å; K106-D110 WeakPolarHBondContact O-CB 3.4Å; K106-D110 PolarHBondContact O-N 3.32Å |
| 107 | Y | 87.1 | Confident | 84 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 3% | 0.027 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.2 | -46.2 | 177.8 | 177.9 | -86.3 | 0 | 0 | 0 | 113 | I20 G24 I27 S103 V104 H105 L111 A149 Y153 M156 | I20-Y107 HydrophobicContact CG2-CD2 4.18Å; I20-Y107 HydrophobicContact CG2-CE2 3.62Å; I20-Y107 VanDerWaalsContact O-CE2 3.25Å; I20-Y107 WeakPolarHBondContact O-CE2 2.91Å; G24-Y107 VanDerWaalsContact CA-CE2 3.48Å; I27-Y107 HydrophobicContact CD1-CD2 4.08Å; I27-Y107 HydrophobicContact CD1-CG 4.34Å; S103-Y107 WeakPolarHBondContact O-CB 3.31Å; S103-Y107 PolarHBondContact O-N 3.27Å; V104-Y107 WeakPolarHBondContact O-CB 3.42Å; H105-Y107 VanDerWaalsContact C-N 3.28Å; H105-Y107 PolarHBondContact O-N 3.18Å; Y107-L111 WeakPolarHBondContact O-CB 3.43Å; Y107-L111 PolarHBondContact O-N 2.69Å; Y107-A149 WeakPolarHBondContact OH-CA 3.14Å; Y107-A149 WeakPolarHBondContact OH-CB 3.44Å; Y107-A149 PolarHBondContact OH-O 3.39Å; Y107-Y153 HydrophobicContact CD1-CD2 4.18Å; Y107-M156 HydrophobicContact CD1-CE 4.31Å; Y107-M156 HydrophobicContact CD1-SD 4.48Å; Y107-M156 HydrophobicContact CD2-CE 4.13Å; Y107-M156 HydrophobicContact CE1-CE 4.28Å; Y107-M156 HydrophobicContact CE2-CE 4.05Å; Y107-M156 HydrophobicContact CG-CE 4.24Å |
| 108 | I | 84.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.9 | -34 | -179.1 | -174.4 | 59.5 | 0 | 0 | 0 | 112.3 | V104 H105 K106 L111 N112 Y153 V222 I224 | V104-I108 PolarHBondContact O-N 3.37Å; H105-I108 WeakPolarHBondContact O-CG2 3.43Å; H105-I108 PolarHBondContact O-N 2.99Å; K106-I108 PolarHBondContact O-N 3.44Å; I108-L111 HydrophobicContact CD1-CD2 4.14Å; I108-L111 PolarHBondContact O-N 2.81Å; I108-N112 PolarHBondContact O-N 3.45Å; I108-Y153 HydrophobicContact CB-CD2 4.2Å; I108-Y153 HydrophobicContact CB-CE2 3.75Å; I108-Y153 HydrophobicContact CD1-CD1 4.12Å; I108-Y153 HydrophobicContact CD1-CE1 4.06Å; I108-Y153 HydrophobicContact CD1-CG 4.41Å; I108-Y153 HydrophobicContact CG1-CE1 4.17Å; I108-Y153 HydrophobicContact CG1-CE2 4.21Å; I108-Y153 HydrophobicContact CG2-CE2 4.06Å; I108-V222 HydrophobicContact CB-CG1 4.48Å; I108-V222 HydrophobicContact CG1-CB 4.26Å; I108-V222 HydrophobicContact CG1-CG1 3.57Å; I108-V222 HydrophobicContact CG2-CG1 4.04Å; I108-V222 HydrophobicContact CG2-CG2 4.48Å; I108-I224 HydrophobicContact CD1-CD1 3.68Å; I108-I224 HydrophobicContact CD1-CG1 3.87Å |
| 109 | V | 85.7 | Confident | 83 | Confident | 69 Ų | 69 | 42.3 Ų | 42.3 | 42% | 0.418 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.9 | -45.8 | 174 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | H105 K106 L111 N112 R113 | H105-V109 WeakPolarHBondContact O-CG2 3.37Å; H105-V109 PolarHBondContact O-N 2.9Å; K106-V109 PolarHBondContact O-N 3.29Å; V109-L111 VanDerWaalsContact C-N 3.31Å; V109-L111 PolarHBondContact O-N 3.47Å; V109-N112 PolarHBondContact O-N 3.35Å; V109-R113 WeakPolarHBondContact O-CB 3.34Å; V109-R113 PolarHBondContact O-N 2.9Å |
| 110 | D | 84.8 | Confident | 82.5 | Confident | 54 Ų | 54 | 44.9 Ų | 44.9 | 29% | 0.289 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.5 | -39 | 176 | -76.2 | -8.2 | 0 | 0 | 0 | 111.4 | R23 K106 Y114 | R23-D110 IonicContact NH1-OD2 2.73Å; R23-D110 PolarHBondContact NH1-OD2 2.81Å; K106-D110 WeakPolarHBondContact O-CB 3.4Å; K106-D110 PolarHBondContact O-N 3.32Å; D110-Y114 WeakPolarHBondContact O-CB 3.23Å; D110-Y114 PolarHBondContact O-N 3.24Å |
| 111 | L | 82.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -49.9 | 175.4 | -178.9 | 63.4 | 0 | 0 | 0 | 111.3 | Y107 I108 V109 R113 Y114 L115 A149 | Y107-L111 WeakPolarHBondContact O-CB 3.43Å; Y107-L111 PolarHBondContact O-N 2.69Å; I108-L111 HydrophobicContact CD1-CD2 4.14Å; I108-L111 PolarHBondContact O-N 2.81Å; V109-L111 VanDerWaalsContact C-N 3.31Å; V109-L111 PolarHBondContact O-N 3.47Å; L111-R113 VanDerWaalsContact C-N 3.32Å; L111-R113 PolarHBondContact O-N 3.31Å; L111-Y114 WeakPolarHBondContact O-CB 3.42Å; L111-Y114 PolarHBondContact O-N 3.32Å; L111-L115 WeakPolarHBondContact O-CG 3.46Å; L111-L115 PolarHBondContact O-N 2.89Å; L111-A149 HydrophobicContact CD1-CB 4.12Å; L111-A149 HydrophobicContact CD2-CB 4.27Å |
| 112 | N | 84.8 | Confident | 80.6 | Confident | 36 Ų | 36 | 50.4 Ų | 50.4 | 19% | 0.193 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 178.3 | -80.3 | -20.4 | 0 | 0 | 0 | 111.5 | I108 V109 Y114 L115 D116 P223 | I108-N112 PolarHBondContact O-N 3.45Å; V109-N112 PolarHBondContact O-N 3.35Å; N112-Y114 PolarHBondContact O-N 3.29Å; N112-L115 WeakPolarHBondContact O-CB 3.38Å; N112-L115 PolarHBondContact O-N 2.75Å; N112-L115 VanDerWaalsContact O-N 3.1Å; N112-D116 PolarHBondContact O-N 3.46Å; N112-P223 PolarHBondContact ND2-O 2.93Å |
| 113 | R | 84.6 | Confident | 79.6 | Confident | 164 Ų | 164 | 50.8 Ų | 50.8 | 62% | 0.619 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -59.7 | -43.6 | 174.8 | -175.9 | 179.5 | 178.6 | 172.1 | 3.8 | 112.5 | V109 L111 L115 D116 D117 | V109-R113 WeakPolarHBondContact O-CB 3.34Å; V109-R113 PolarHBondContact O-N 2.9Å; L111-R113 VanDerWaalsContact C-N 3.32Å; L111-R113 PolarHBondContact O-N 3.31Å; R113-L115 VanDerWaalsContact C-N 3.27Å; R113-L115 PolarHBondContact O-N 3.3Å; R113-D116 PolarHBondContact O-N 3.41Å; R113-D117 WeakPolarHBondContact O-CB 3.46Å; R113-D117 PolarHBondContact O-N 3.41Å |
| 114 | Y | 80.7 | Confident | 78 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.9 | -36.1 | 175.5 | 173.2 | -100.7 | 0 | 0 | 0 | 112.3 | C13 A16 I17 I20 D110 L111 N112 L118 Y123 | C13-Y114 PolarHBondContact O-OH 3.49Å; C13-Y114 PolarHBondContact SG-OH 3.44Å; A16-Y114 HydrophobicContact CB-CD2 4.08Å; A16-Y114 HydrophobicContact CB-CE2 3.97Å; I17-Y114 HydrophobicContact CB-CE1 4.09Å; I17-Y114 HydrophobicContact CB-CE2 4.45Å; I17-Y114 HydrophobicContact CD1-CE1 3.89Å; I17-Y114 HydrophobicContact CG1-CE1 4.3Å; I20-Y114 HydrophobicContact CD1-CG 4.23Å; D110-Y114 WeakPolarHBondContact O-CB 3.23Å; D110-Y114 PolarHBondContact O-N 3.24Å; L111-Y114 WeakPolarHBondContact O-CB 3.42Å; L111-Y114 PolarHBondContact O-N 3.32Å; N112-Y114 PolarHBondContact O-N 3.29Å; Y114-L118 HydrophobicContact CD1-CD1 3.87Å; Y114-L118 HydrophobicContact CE1-CD1 3.27Å; Y114-L118 HydrophobicContact CE1-CG 4.17Å; Y114-L118 HydrophobicContact CE2-CD1 4.29Å; Y114-L118 HydrophobicContact CE2-CG 4.35Å; Y114-L118 WeakPolarHBondContact O-CB 3.38Å; Y114-L118 WeakPolarHBondContact O-CG 3.41Å; Y114-L118 PolarHBondContact O-N 3.15Å; Y114-L118 VanDerWaalsContact O-N 3.07Å; Y114-Y123 HydrophobicContact CD2-CE2 4.01Å; Y114-Y123 AromaticContact CE2-CE2 3.77Å; Y114-Y123 HydrophobicContact CE2-CE2 3.77Å |
| 115 | L | 76.7 | Confident | 76.5 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 173.7 | -61.2 | -176.6 | 0 | 0 | 0 | 111.6 | L111 N112 R113 L118 H119 I224 F228 | L111-L115 WeakPolarHBondContact O-CG 3.46Å; L111-L115 PolarHBondContact O-N 2.89Å; N112-L115 WeakPolarHBondContact O-CB 3.38Å; N112-L115 PolarHBondContact O-N 2.75Å; N112-L115 VanDerWaalsContact O-N 3.1Å; R113-L115 VanDerWaalsContact C-N 3.27Å; R113-L115 PolarHBondContact O-N 3.3Å; L115-L118 WeakPolarHBondContact O-CB 3.48Å; L115-L118 PolarHBondContact O-N 3.04Å; L115-H119 PolarHBondContact O-N 3.42Å; L115-H119 PolarHBondContact O-ND1 2.97Å; L115-I224 HydrophobicContact CD1-CG2 4.23Å; L115-F228 HydrophobicContact CD1-CD1 4.18Å; L115-F228 HydrophobicContact CD1-CD2 3.99Å; L115-F228 HydrophobicContact CD1-CE1 4.09Å; L115-F228 HydrophobicContact CD1-CE2 3.76Å; L115-F228 HydrophobicContact CD1-CG 4.09Å; L115-F228 HydrophobicContact CD1-CZ 3.81Å; L115-F228 HydrophobicContact CD2-CD2 3.8Å; L115-F228 HydrophobicContact CD2-CE2 3.14Å; L115-F228 HydrophobicContact CD2-CZ 3.68Å; L115-F228 HydrophobicContact CG-CE2 4.08Å; L115-F228 HydrophobicContact CG-CZ 4.36Å |
| 116 | D | 81.5 | Confident | 75.2 | Confident | 94 Ų | 94 | 65.5 Ų | 65.5 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 176.9 | -64.2 | -26.1 | 0 | 0 | 0 | 110.5 | N112 R113 L118 H119 E120 | N112-D116 PolarHBondContact O-N 3.46Å; R113-D116 PolarHBondContact O-N 3.41Å; D116-L118 VanDerWaalsContact C-N 3.26Å; D116-L118 PolarHBondContact O-N 2.94Å; D116-H119 PolarHBondContact O-N 3.28Å; D116-E120 WeakPolarHBondContact O-CB 3.47Å; D116-E120 WeakPolarHBondContact O-CG 3.38Å; D116-E120 PolarHBondContact O-N 3.25Å |
| 117 | D | 79.2 | Confident | 74 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 20% | 0.203 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.6 | -35.3 | 176.3 | -68.8 | -21.6 | 0 | 0 | 0 | 112.4 | R113 G121 V122 Y123 | R113-D117 WeakPolarHBondContact O-CB 3.46Å; R113-D117 PolarHBondContact O-N 3.41Å; D117-G121 PolarHBondContact O-N 3.31Å; D117-V122 HydrophobicContact CB-CB 4.22Å; D117-V122 HydrophobicContact CB-CG2 4.12Å; D117-V122 WeakPolarHBondContact O-CB 3.38Å; D117-V122 PolarHBondContact O-N 3.27Å; D117-Y123 HydrophobicContact CB-CE2 4.16Å |
| 118 | L | 73.1 | Confident | 72.7 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.1 | -35 | 173.8 | -83.1 | 171.8 | 0 | 0 | 0 | 113.2 | Y114 L115 D116 Y123 | Y114-L118 HydrophobicContact CD1-CD1 3.87Å; Y114-L118 HydrophobicContact CE1-CD1 3.27Å; Y114-L118 HydrophobicContact CE1-CG 4.17Å; Y114-L118 HydrophobicContact CE2-CD1 4.29Å; Y114-L118 HydrophobicContact CE2-CG 4.35Å; Y114-L118 WeakPolarHBondContact O-CB 3.38Å; Y114-L118 WeakPolarHBondContact O-CG 3.41Å; Y114-L118 PolarHBondContact O-N 3.15Å; Y114-L118 VanDerWaalsContact O-N 3.07Å; L115-L118 WeakPolarHBondContact O-CB 3.48Å; L115-L118 PolarHBondContact O-N 3.04Å; D116-L118 VanDerWaalsContact C-N 3.26Å; D116-L118 PolarHBondContact O-N 2.94Å; L118-Y123 HydrophobicContact CD2-CD2 3.88Å; L118-Y123 HydrophobicContact CD2-CE2 4.46Å; L118-Y123 HydrophobicContact CG-CD2 4.25Å; L118-Y123 HydrophobicContact CG-CE2 4.43Å |
| 119 | H | 72.3 | Confident | 71.6 | Confident | 114 Ų | 114 | 71.8 Ų | 71.8 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -75.4 | -36.2 | 176.2 | -75.2 | 79.7 | 0 | 0 | 0 | 111.5 | L115 D116 G121 | L115-H119 PolarHBondContact O-N 3.42Å; L115-H119 PolarHBondContact O-ND1 2.97Å; D116-H119 PolarHBondContact O-N 3.28Å; H119-G121 PolarHBondContact O-N 2.76Å |
| 120 | E | 73.9 | Confident | 70.3 | Confident | 151 Ų | 151 | 71.9 Ų | 71.9 | 71% | 0.706 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -74.3 | -11.9 | 177 | -69.5 | -173.9 | 178.4 | 0 | 0 | 112.9 | D116 V122 | D116-E120 WeakPolarHBondContact O-CB 3.47Å; D116-E120 WeakPolarHBondContact O-CG 3.38Å; D116-E120 PolarHBondContact O-N 3.25Å; E120-V122 HydrophobicContact CB-CG2 4.18Å |
| 121 | G | 64.6 | Low | 69.1 | Low | 44 Ų | 44 | 69.5 Ų | 69.5 | 45% | 0.454 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 26.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D117 H119 Y123 | D117-G121 PolarHBondContact O-N 3.31Å; H119-G121 PolarHBondContact O-N 2.76Å; G121-Y123 PolarHBondContact O-N 3.32Å |
| 122 | V | 66.4 | Low | 67.9 | Low | 83 Ų | 83 | 70 Ų | 70 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | trans | -59.4 | -33.2 | 178.4 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | D117 E120 I124 | D117-V122 HydrophobicContact CB-CB 4.22Å; D117-V122 HydrophobicContact CB-CG2 4.12Å; D117-V122 WeakPolarHBondContact O-CB 3.38Å; D117-V122 PolarHBondContact O-N 3.27Å; E120-V122 HydrophobicContact CB-CG2 4.18Å; V122-I124 PolarHBondContact O-N 3.43Å | ||
| 123 | Y | 65 | Low | 66.7 | Low | 38 Ų | 38 | 73.7 Ų | 73.7 | 15% | 0.149 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -86.3 | 99.2 | 173 | -58.3 | -71.7 | 0 | 0 | 0 | 110.5 | Q12 C13 Y114 D117 L118 G121 Q125 Q126 | Q12-Y123 HydrophobicContact CB-CD1 4.45Å; Q12-Y123 HydrophobicContact CB-CE1 4.21Å; C13-Y123 HydrophobicContact CB-CD1 3.64Å; C13-Y123 HydrophobicContact CB-CD2 4.24Å; C13-Y123 HydrophobicContact CB-CE1 4.07Å; C13-Y123 HydrophobicContact CB-CG 3.73Å; Y114-Y123 HydrophobicContact CD2-CE2 4.01Å; Y114-Y123 AromaticContact CE2-CE2 3.77Å; Y114-Y123 HydrophobicContact CE2-CE2 3.77Å; D117-Y123 HydrophobicContact CB-CE2 4.16Å; L118-Y123 HydrophobicContact CD2-CD2 3.88Å; L118-Y123 HydrophobicContact CD2-CE2 4.46Å; L118-Y123 HydrophobicContact CG-CD2 4.25Å; L118-Y123 HydrophobicContact CG-CE2 4.43Å; G121-Y123 PolarHBondContact O-N 3.32Å; Y123-Q125 PolarHBondContact O-N 3.15Å; Y123-Q126 PolarHBondContact O-N 2.97Å; Y123-Q126 VanDerWaalsContact O-N 3.15Å |
| 124 | I | 53 | Low | 65.4 | Low | 150 Ų | 150 | 67.5 Ų | 67.5 | 77% | 0.769 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 127.7 | 178.6 | -59.4 | 169.8 | 0 | 0 | 0 | 109.9 | V122 Q126 | V122-I124 PolarHBondContact O-N 3.43Å; I124-Q126 PolarHBondContact O-N 3.22Å |
| 125 | Q | 54.4 | Low | 64.1 | Low | 183 Ų | 183 | 73.2 Ų | 73.2 | 86% | 0.855 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 5.5 | 180 | -63.6 | 171.4 | 2.2 | 0 | 0 | 117.7 | Y123 | Y123-Q125 PolarHBondContact O-N 3.15Š|
| 126 | Q | 57.6 | Low | 62.7 | Low | 41 Ų | 41 | 76.1 Ų | 76.1 | 19% | 0.192 | 40% | 0.397 | C | S | . | . | trans | -123.9 | 107.3 | 177.4 | -66.3 | -173.9 | 16.2 | 0 | 0 | 111.8 | N11 C13 Y123 I124 V131 | N11-Q126 PolarHBondContact ND2-NE2 2.97Å; N11-Q126 PolarHBondContact OD1-NE2 3.32Å; C13-Q126 PolarHBondContact SG-OE1 3.39Å; Y123-Q126 PolarHBondContact O-N 2.97Å; Y123-Q126 VanDerWaalsContact O-N 3.15Å; I124-Q126 PolarHBondContact O-N 3.22Å; Q126-V131 HydrophobicContact CB-CG2 4.1Å | ||
| 127 | T | 61.6 | Low | 61.1 | Low | 76 Ų | 76 | 71.7 Ų | 71.7 | 47% | 0.466 | 37% | 0.373 | S | S | . | . | trans | -97.4 | 159.6 | 166 | 62.6 | 0 | 0 | 0 | 0 | 110 | E129 T130 V131 | T127-E129 PolarHBondContact O-N 3.44Å; T127-T130 PolarHBondContact N-OG1 3.16Å; T127-T130 PolarHBondContact O-N 3.27Å; T127-T130 VanDerWaalsContact O-N 3.11Å; T127-T130 PolarHBondContact O-OG1 3.12Å; T127-T130 PolarHBondContact OG1-N 3.07Å; T127-T130 PolarHBondContact OG1-OG1 2.88Å; T127-V131 VanDerWaalsContact O-CB 3.24Å; T127-V131 WeakPolarHBondContact O-CB 3.44Å; T127-V131 WeakPolarHBondContact O-CG2 3.15Å; T127-V131 PolarHBondContact O-N 3.12Å; T127-V131 VanDerWaalsContact O-N 3.08Å | ||
| 128 | L | 60.8 | Low | 59.6 | Low | 23 Ų | 23 | 73.1 Ų | 73.1 | 12% | 0.12 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -48 | -34.6 | 175.3 | -160.6 | 97.5 | 0 | 0 | 0 | 112.1 | V131 L132 F228 M231 | L128-V131 WeakPolarHBondContact O-CB 3.4Å; L128-V131 WeakPolarHBondContact O-CG1 3.3Å; L128-L132 HydrophobicContact CD2-CD1 4.42Å; L128-L132 VanDerWaalsContact O-CD1 3.25Å; L128-L132 WeakPolarHBondContact O-CD1 3.49Å; L128-L132 WeakPolarHBondContact O-CG 3.24Å; L128-L132 PolarHBondContact O-N 3.45Å; L128-F228 HydrophobicContact CD1-CD2 4.4Å; L128-M231 HydrophobicContact CD2-CE 4.31Å; L128-M231 HydrophobicContact CD2-SD 3.22Å; L128-M231 WeakPolarHBondContact CD2-SD 3.35Å |
| 129 | E | 60.4 | Low | 58.4 | Low | 132 Ų | 132 | 75.9 Ų | 75.9 | 62% | 0.617 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -76.5 | -41.9 | -179.6 | -63.2 | -177.5 | 174.2 | 0 | 0 | 114.6 | T127 V131 L132 | T127-E129 PolarHBondContact O-N 3.44Å; E129-V131 VanDerWaalsContact C-N 3.25Å; E129-V131 PolarHBondContact O-N 3.25Å; E129-L132 PolarHBondContact O-N 3.44Å |
| 130 | T | 59.3 | Low | 57.1 | Low | 71 Ų | 71 | 70.5 Ų | 70.5 | 44% | 0.436 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.1 | -34 | 175.5 | 37.1 | 0 | 0 | 0 | 0 | 112.6 | T127 L132 L133 | T127-T130 PolarHBondContact N-OG1 3.16Å; T127-T130 PolarHBondContact O-N 3.27Å; T127-T130 VanDerWaalsContact O-N 3.11Å; T127-T130 PolarHBondContact O-OG1 3.12Å; T127-T130 PolarHBondContact OG1-N 3.07Å; T127-T130 PolarHBondContact OG1-OG1 2.88Å; T130-L132 VanDerWaalsContact C-N 3.35Å; T130-L133 PolarHBondContact O-N 2.99Å |
| 131 | V | 58.5 | Low | 55.6 | Low | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 173.2 | 141.1 | 0 | 0 | 0 | 0 | 111.3 | Q126 T127 L128 E129 L133 L141 | Q126-V131 HydrophobicContact CB-CG2 4.1Å; T127-V131 VanDerWaalsContact O-CB 3.24Å; T127-V131 WeakPolarHBondContact O-CB 3.44Å; T127-V131 WeakPolarHBondContact O-CG2 3.15Å; T127-V131 PolarHBondContact O-N 3.12Å; T127-V131 VanDerWaalsContact O-N 3.08Å; L128-V131 WeakPolarHBondContact O-CB 3.4Å; L128-V131 WeakPolarHBondContact O-CG1 3.3Å; E129-V131 VanDerWaalsContact C-N 3.25Å; E129-V131 PolarHBondContact O-N 3.25Å; V131-L133 PolarHBondContact O-N 3.33Å; V131-L141 HydrophobicContact CB-CB 4.35Å; V131-L141 HydrophobicContact CB-CD1 3.57Å; V131-L141 HydrophobicContact CB-CD2 3.88Å; V131-L141 HydrophobicContact CB-CG 4.12Å; V131-L141 HydrophobicContact CG1-CB 3.54Å; V131-L141 HydrophobicContact CG1-CD1 3.54Å; V131-L141 HydrophobicContact CG1-CD2 3.07Å; V131-L141 HydrophobicContact CG1-CG 3.49Å; V131-L141 VanDerWaalsContact CG1-CG 3.49Å; V131-L141 WeakPolarHBondContact CG1-O 2.86Å; V131-L141 HydrophobicContact CG2-CD1 3.39Å; V131-L141 HydrophobicContact CG2-CD2 3.76Å; V131-L141 HydrophobicContact CG2-CG 4.16Å |
| 132 | L | 57.8 | Low | 54.2 | Low | 10 Ų | 10 | 61.4 Ų | 61.4 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -3.9 | 178.2 | -65.7 | 159.5 | 0 | 0 | 0 | 113.6 | L128 E129 T130 C142 P143 | L128-L132 HydrophobicContact CD2-CD1 4.42Å; L128-L132 VanDerWaalsContact O-CD1 3.25Å; L128-L132 WeakPolarHBondContact O-CD1 3.49Å; L128-L132 WeakPolarHBondContact O-CG 3.24Å; L128-L132 PolarHBondContact O-N 3.45Å; E129-L132 PolarHBondContact O-N 3.44Å; T130-L132 VanDerWaalsContact C-N 3.35Å; L132-C142 VanDerWaalsContact C-SG 3.55Å; L132-C142 WeakPolarHBondContact CA-SG 3.39Å; L132-C142 HydrophobicContact CB-CB 3.98Å; L132-C142 WeakPolarHBondContact CB-SG 3.45Å; L132-C142 VanDerWaalsContact CD2-CA 3.44Å; L132-C142 HydrophobicContact CD2-CB 4.06Å; L132-C142 VanDerWaalsContact CD2-SG 3.56Å; L132-C142 HydrophobicContact CG-CB 4.48Å; L132-C142 WeakPolarHBondContact O-CB 3.39Å; L132-C142 PolarHBondContact O-SG 3.41Å; L132-P143 HydrophobicContact CD2-CB 4.06Å; L132-P143 HydrophobicContact CD2-CG 3.94Å |
| 133 | L | 58.7 | Low | 52.7 | Low | 114 Ų | 114 | 57.5 Ų | 57.5 | 60% | 0.597 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -26.7 | -173.3 | -76.4 | 163.9 | 0 | 0 | 0 | 115.5 | T130 V131 K138 | T130-L133 PolarHBondContact O-N 2.99Å; V131-L133 PolarHBondContact O-N 3.33Å; L133-K138 VanDerWaalsContact O-CE 3.29Å; L133-K138 WeakPolarHBondContact O-CE 3.36Å |
| 134 | N | 58 | Low | 51.2 | Low | 34 Ų | 34 | 55.7 Ų | 55.7 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -72.7 | 156.4 | -178.7 | -168.3 | -14.5 | 0 | 0 | 0 | 111.5 | G137 K138 | N134-G137 CarbonylContact O-C 3.48Å; N134-K138 VanDerWaalsContact O-CA 3.3Å; N134-K138 WeakPolarHBondContact O-CA 3.39Å; N134-K138 WeakPolarHBondContact O-CB 3.44Å; N134-K138 VanDerWaalsContact O-CD 3.25Å; N134-K138 WeakPolarHBondContact O-CD 3.45Å; N134-K138 WeakPolarHBondContact O-CG 3.38Å; N134-K138 PolarHBondContact O-N 3.46Å |
| 135 | E | 52.4 | Low | 50.2 | Low | 127 Ų | 127 | 48.6 Ų | 48.6 | 59% | 0.593 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -80.6 | -46.2 | 179.5 | -71.3 | -148.1 | 161.4 | 0 | 0 | 113.6 | G137 K138 Q139 | E135-G137 VanDerWaalsContact C-N 3.32Å; E135-K138 WeakPolarHBondContact O-CA 3.39Å; E135-K138 WeakPolarHBondContact O-CB 3.32Å; E135-K138 PolarHBondContact O-N 2.86Å; E135-Q139 PolarHBondContact O-N 3.2Å |
| 136 | D | 49.3 | Very low | 49.4 | Very low | 65 Ų | 65 | 40 Ų | 40 | 35% | 0.348 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.9 | -40 | 169.7 | -60.9 | -48.9 | 0 | 0 | 0 | 109.7 | F6 K138 Q139 L140 | F6-D136 HydrophobicContact CB-CB 4.15Å; D136-K138 PolarHBondContact O-N 3.17Å; D136-Q139 CarbonylContact O-C 3.56Å; D136-Q139 PolarHBondContact O-N 2.97Å; D136-L140 VanDerWaalsContact O-CB 3.22Å; D136-L140 WeakPolarHBondContact O-CB 3.38Å; D136-L140 VanDerWaalsContact O-CD1 3.27Å; D136-L140 WeakPolarHBondContact O-CD1 3.31Å; D136-L140 VanDerWaalsContact O-CG 3.3Å; D136-L140 WeakPolarHBondContact O-CG 3.37Å; D136-L140 PolarHBondContact O-N 2.87Å |
| 137 | G | 45.8 | Very low | 49 | Very low | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -27.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N134 E135 L140 L141 C142 | N134-G137 CarbonylContact O-C 3.48Å; E135-G137 VanDerWaalsContact C-N 3.32Å; G137-L140 CarbonylContact O-C 3.04Å; G137-L140 PolarHBondContact O-N 3.22Å; G137-L141 CarbonylContact O-C 3.42Å; G137-L141 WeakPolarHBondContact O-CA 3.49Å; G137-L141 WeakPolarHBondContact O-CB 3.23Å; G137-L141 PolarHBondContact O-N 3Å; G137-C142 PolarHBondContact O-N 3.15Å |
| 138 | K | 47.9 | Very low | 49 | Very low | 69 Ų | 69 | 35.2 Ų | 35.2 | 30% | 0.3 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -72.3 | -38.9 | 174.5 | -88.4 | 154.8 | -169 | 174.5 | 0 | 110.5 | L133 N134 E135 D136 L140 C142 P144 | L133-K138 VanDerWaalsContact O-CE 3.29Å; L133-K138 WeakPolarHBondContact O-CE 3.36Å; N134-K138 VanDerWaalsContact O-CA 3.3Å; N134-K138 WeakPolarHBondContact O-CA 3.39Å; N134-K138 WeakPolarHBondContact O-CB 3.44Å; N134-K138 VanDerWaalsContact O-CD 3.25Å; N134-K138 WeakPolarHBondContact O-CD 3.45Å; N134-K138 WeakPolarHBondContact O-CG 3.38Å; N134-K138 PolarHBondContact O-N 3.46Å; E135-K138 WeakPolarHBondContact O-CA 3.39Å; E135-K138 WeakPolarHBondContact O-CB 3.32Å; E135-K138 PolarHBondContact O-N 2.86Å; D136-K138 PolarHBondContact O-N 3.17Å; K138-L140 VanDerWaalsContact C-N 3.28Å; K138-L140 PolarHBondContact O-N 3.14Å; K138-C142 VanDerWaalsContact CA-CB 3.44Å; K138-C142 HydrophobicContact CB-CB 3.8Å; K138-C142 HydrophobicContact CG-CB 3.3Å; K138-P144 WeakPolarHBondContact O-CD 3.38Å; K138-P144 WeakPolarHBondContact O-CG 3.32Å |
| 139 | Q | 47.8 | Very low | 49.5 | Very low | 66 Ų | 66 | 34.1 Ų | 34.1 | 31% | 0.308 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -69.8 | -24.3 | 172.9 | -64.3 | -176.8 | 5.4 | 0 | 0 | 113.1 | E135 D136 T145 R606 | E135-Q139 PolarHBondContact O-N 3.2Å; D136-Q139 CarbonylContact O-C 3.56Å; D136-Q139 PolarHBondContact O-N 2.97Å; Q139-T145 WeakPolarHBondContact O-CG2 3.27Å; Q139-R606 PolarHBondContact O-NH2 3.36Å |
| 140 | L | 46.8 | Very low | 50.2 | Low | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -117.1 | -4.7 | -172.5 | -67.5 | 157 | 0 | 0 | 0 | 116.1 | F6 L7 L18 D136 G137 K138 T145 | F6-L140 HydrophobicContact CD1-CB 3.86Å; F6-L140 HydrophobicContact CD1-CD1 3.7Å; F6-L140 HydrophobicContact CD1-CG 4.46Å; F6-L140 HydrophobicContact CE1-CB 3.85Å; F6-L140 HydrophobicContact CE1-CD1 4.3Å; L7-L140 HydrophobicContact CD1-CD1 3.66Å; L7-L140 HydrophobicContact CD2-CD1 3.2Å; L7-L140 HydrophobicContact CD2-CD2 3.87Å; L7-L140 HydrophobicContact CD2-CG 4.18Å; L7-L140 HydrophobicContact CG-CD1 3.18Å; L7-L140 HydrophobicContact CG-CG 4.5Å; L18-L140 HydrophobicContact CD1-CD2 4.15Å; D136-L140 VanDerWaalsContact O-CB 3.22Å; D136-L140 WeakPolarHBondContact O-CB 3.38Å; D136-L140 VanDerWaalsContact O-CD1 3.27Å; D136-L140 WeakPolarHBondContact O-CD1 3.31Å; D136-L140 VanDerWaalsContact O-CG 3.3Å; D136-L140 WeakPolarHBondContact O-CG 3.37Å; D136-L140 PolarHBondContact O-N 2.87Å; G137-L140 CarbonylContact O-C 3.04Å; G137-L140 PolarHBondContact O-N 3.22Å; K138-L140 VanDerWaalsContact C-N 3.28Å; K138-L140 PolarHBondContact O-N 3.14Å; L140-T145 WeakPolarHBondContact CA-OG1 3.28Å; L140-T145 HydrophobicContact CD2-CG2 4.39Å; L140-T145 PolarHBondContact O-OG1 3.15Å |
| 141 | L | 40.9 | Very low | 51.3 | Low | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -165.5 | -28 | -156.4 | -110.5 | -163.2 | 0 | 0 | 0 | 113.4 | F6 V131 G137 T145 | F6-L141 HydrophobicContact CD1-CD1 4.02Å; F6-L141 HydrophobicContact CD1-CG 4.38Å; F6-L141 HydrophobicContact CD2-CD1 3.67Å; F6-L141 HydrophobicContact CE1-CB 4.22Å; F6-L141 HydrophobicContact CE1-CD1 3.36Å; F6-L141 HydrophobicContact CE1-CG 3.49Å; F6-L141 VanDerWaalsContact CE1-CG 3.49Å; F6-L141 HydrophobicContact CE2-CD1 2.96Å; F6-L141 HydrophobicContact CE2-CG 3.99Å; F6-L141 HydrophobicContact CG-CD1 4.19Å; F6-L141 HydrophobicContact CZ-CB 4.4Å; F6-L141 HydrophobicContact CZ-CD1 2.82Å; F6-L141 HydrophobicContact CZ-CD2 4.13Å; F6-L141 HydrophobicContact CZ-CG 3.31Å; V131-L141 HydrophobicContact CB-CB 4.35Å; V131-L141 HydrophobicContact CB-CD1 3.57Å; V131-L141 HydrophobicContact CB-CD2 3.88Å; V131-L141 HydrophobicContact CB-CG 4.12Å; V131-L141 HydrophobicContact CG1-CB 3.54Å; V131-L141 HydrophobicContact CG1-CD1 3.54Å; V131-L141 HydrophobicContact CG1-CD2 3.07Å; V131-L141 HydrophobicContact CG1-CG 3.49Å; V131-L141 VanDerWaalsContact CG1-CG 3.49Å; V131-L141 WeakPolarHBondContact CG1-O 2.86Å; V131-L141 HydrophobicContact CG2-CD1 3.39Å; V131-L141 HydrophobicContact CG2-CD2 3.76Å; V131-L141 HydrophobicContact CG2-CG 4.16Å; G137-L141 CarbonylContact O-C 3.42Å; G137-L141 WeakPolarHBondContact O-CA 3.49Å; G137-L141 WeakPolarHBondContact O-CB 3.23Å; G137-L141 PolarHBondContact O-N 3Å; L141-T145 PolarHBondContact N-OG1 3.4Å |
| 142 | C | 35.6 | Very low | 52.4 | Low | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -95.5 | 105.4 | 168.2 | -163.8 | 0 | 0 | 0 | 0 | 113 | L132 G137 K138 P144 | L132-C142 VanDerWaalsContact C-SG 3.55Å; L132-C142 WeakPolarHBondContact CA-SG 3.39Å; L132-C142 HydrophobicContact CB-CB 3.98Å; L132-C142 WeakPolarHBondContact CB-SG 3.45Å; L132-C142 VanDerWaalsContact CD2-CA 3.44Å; L132-C142 HydrophobicContact CD2-CB 4.06Å; L132-C142 VanDerWaalsContact CD2-SG 3.56Å; L132-C142 HydrophobicContact CG-CB 4.48Å; L132-C142 WeakPolarHBondContact O-CB 3.39Å; L132-C142 PolarHBondContact O-SG 3.41Å; G137-C142 PolarHBondContact O-N 3.15Å; K138-C142 VanDerWaalsContact CA-CB 3.44Å; K138-C142 HydrophobicContact CB-CB 3.8Å; K138-C142 HydrophobicContact CG-CB 3.3Å; C142-P144 WeakPolarHBondContact O-CD 3.29Å; C142-P144 WeakPolarHBondContact O-CG 3.45Å |
| 143 | P | 35.6 | Very low | 53.7 | Low | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | S | Bend | -60.8 | 97.3 | -109.6 | 34.5 | -16.9 | 0 | 0 | 0 | 111.4 | L132 C147 V232 R235 | L132-P143 HydrophobicContact CD2-CB 4.06Å; L132-P143 HydrophobicContact CD2-CG 3.94Å; P143-C147 PolarHBondContact O-SG 3.36Å; P143-V232 HydrophobicContact CB-CB 4.09Å; P143-V232 HydrophobicContact CB-CG1 4.3Å; P143-V232 HydrophobicContact CB-CG2 3.66Å; P143-V232 VanDerWaalsContact CG-CA 3.44Å; P143-V232 HydrophobicContact CG-CB 4.33Å; P143-V232 HydrophobicContact CG-CG2 4.38Å; P143-R235 HydrophobicContact CG-CB 3.38Å; P143-R235 HydrophobicContact CG-CG 3.77Å | |
| 144 | P | 32.5 | Very low | 54.8 | Low | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -139 | -3.5 | 168 | 29.5 | -3.7 | 0 | 0 | 0 | 114.2 | K138 C142 C147 E148 I241 | K138-P144 WeakPolarHBondContact O-CD 3.38Å; K138-P144 WeakPolarHBondContact O-CG 3.32Å; C142-P144 WeakPolarHBondContact O-CD 3.29Å; C142-P144 WeakPolarHBondContact O-CG 3.45Å; P144-C147 HydrophobicContact CB-CB 4.46Å; P144-C147 CarbonylContact O-C 3.6Å; P144-E148 VanDerWaalsContact C-N 3.27Å; P144-E148 WeakPolarHBondContact O-CA 3.33Å; P144-E148 WeakPolarHBondContact O-CB 3.39Å; P144-E148 PolarHBondContact O-N 2.76Å; P144-I241 HydrophobicContact CB-CD1 4.15Å; P144-I241 HydrophobicContact CB-CG2 3.54Å; P144-I241 HydrophobicContact CG-CG2 3.38Å |
| 145 | T | 32.1 | Very low | 56 | Low | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.012 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -104.8 | -14.4 | 163 | 43.9 | 0 | 0 | 0 | 0 | 111.2 | V21 Q139 L140 L141 E148 A149 | V21-T145 HydrophobicContact CG2-CG2 4.12Å; Q139-T145 WeakPolarHBondContact O-CG2 3.27Å; L140-T145 WeakPolarHBondContact CA-OG1 3.28Å; L140-T145 HydrophobicContact CD2-CG2 4.39Å; L140-T145 PolarHBondContact O-OG1 3.15Å; L141-T145 PolarHBondContact N-OG1 3.4Å; T145-E148 HydrophobicContact CG2-CB 4.43Å; T145-A149 WeakPolarHBondContact O-CA 3.19Å; T145-A149 WeakPolarHBondContact O-CB 3.44Å; T145-A149 PolarHBondContact O-N 2.97Å |
| 146 | Q | 37.2 | Very low | 57.6 | Low | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.009 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -79.3 | -35.3 | 149.4 | -73.1 | 173.5 | -5.8 | 0 | 0 | 110.2 | I17 L150 F228 V232 | I17-Q146 HydrophobicContact CD1-CG 3.85Å; Q146-L150 WeakPolarHBondContact O-CA 3.31Å; Q146-L150 WeakPolarHBondContact O-CB 3.02Å; Q146-L150 PolarHBondContact O-N 3.38Å; Q146-F228 HydrophobicContact CB-CE1 4.14Å; Q146-F228 HydrophobicContact CB-CE2 3.93Å; Q146-F228 HydrophobicContact CB-CZ 3.34Å; Q146-F228 HydrophobicContact CG-CE2 3.65Å; Q146-F228 HydrophobicContact CG-CZ 3.36Å; Q146-F228 VanDerWaalsContact NE2-CE2 3.34Å; Q146-V232 HydrophobicContact CB-CG2 4.49Å |
| 147 | C | 50.8 | Low | 59.3 | Low | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | 160.6 | -66 | 0 | 0 | 0 | 0 | 109.9 | P143 P144 A149 L150 Y151 V232 L236 | P143-C147 PolarHBondContact O-SG 3.36Å; P144-C147 HydrophobicContact CB-CB 4.46Å; P144-C147 CarbonylContact O-C 3.6Å; C147-A149 VanDerWaalsContact C-N 3.31Å; C147-A149 PolarHBondContact O-N 3.02Å; C147-L150 PolarHBondContact O-N 3.3Å; C147-Y151 VanDerWaalsContact O-CA 3.23Å; C147-Y151 WeakPolarHBondContact O-CA 3.41Å; C147-Y151 WeakPolarHBondContact O-CB 3.1Å; C147-Y151 PolarHBondContact O-N 3.08Å; C147-V232 HydrophobicContact CB-CG1 4.29Å; C147-V232 WeakPolarHBondContact SG-CG1 3.42Å; C147-L236 WeakPolarHBondContact SG-CD1 3.2Å; C147-L236 WeakPolarHBondContact SG-CG 2.9Å |
| 148 | E | 61.8 | Low | 61.1 | Low | 16 Ų | 16 | 10.2 Ų | 10.2 | 8% | 0.075 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -66.4 | -40.2 | -178.1 | -149.1 | 179.4 | 151.9 | 0 | 0 | 108 | V21 P144 T145 Y151 L152 R606 | V21-E148 HydrophobicContact CG1-CG 4.38Å; P144-E148 VanDerWaalsContact C-N 3.27Å; P144-E148 WeakPolarHBondContact O-CA 3.33Å; P144-E148 WeakPolarHBondContact O-CB 3.39Å; P144-E148 PolarHBondContact O-N 2.76Å; T145-E148 HydrophobicContact CG2-CB 4.43Å; E148-Y151 PolarHBondContact O-N 3.19Å; E148-L152 HydrophobicContact CB-CD1 4.47Å; E148-L152 HydrophobicContact CG-CD1 3.9Å; E148-L152 HydrophobicContact CG-CG 4.06Å; E148-L152 WeakPolarHBondContact O-CA 3.45Å; E148-L152 WeakPolarHBondContact O-CB 3.3Å; E148-L152 WeakPolarHBondContact O-CD1 3.33Å; E148-L152 WeakPolarHBondContact O-CG 3.22Å; E148-L152 PolarHBondContact O-N 3.48Å; E148-R606 IonicContact OE2-NE 2.88Å |
| 149 | A | 69.9 | Low | 62.8 | Low | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -68.7 | -42.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V21 Y107 L111 T145 C147 Y153 | V21-A149 HydrophobicContact CG2-CB 4.36Å; Y107-A149 WeakPolarHBondContact OH-CA 3.14Å; Y107-A149 WeakPolarHBondContact OH-CB 3.44Å; Y107-A149 PolarHBondContact OH-O 3.39Å; L111-A149 HydrophobicContact CD1-CB 4.12Å; L111-A149 HydrophobicContact CD2-CB 4.27Å; T145-A149 WeakPolarHBondContact O-CA 3.19Å; T145-A149 WeakPolarHBondContact O-CB 3.44Å; T145-A149 PolarHBondContact O-N 2.97Å; C147-A149 VanDerWaalsContact C-N 3.31Å; C147-A149 PolarHBondContact O-N 3.02Å; A149-Y153 VanDerWaalsContact O-CB 3.31Å; A149-Y153 WeakPolarHBondContact O-CB 3.02Å; A149-Y153 PolarHBondContact O-N 3.19Å |
| 150 | L | 75.4 | Confident | 64.6 | Low | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -69.7 | -37.7 | 175.3 | -174.5 | 67.5 | 0 | 0 | 0 | 111.7 | Q146 C147 G154 I224 I229 F271 | Q146-L150 WeakPolarHBondContact O-CA 3.31Å; Q146-L150 WeakPolarHBondContact O-CB 3.02Å; Q146-L150 PolarHBondContact O-N 3.38Å; C147-L150 PolarHBondContact O-N 3.3Å; L150-G154 PolarHBondContact O-N 3.5Å; L150-I224 HydrophobicContact CD1-CD1 3.34Å; L150-I229 HydrophobicContact CD2-CG1 4.36Å; L150-F271 HydrophobicContact CD1-CD1 3.88Å; L150-F271 HydrophobicContact CD1-CD2 3.81Å; L150-F271 HydrophobicContact CD1-CE1 3.7Å; L150-F271 HydrophobicContact CD1-CE2 3.62Å; L150-F271 HydrophobicContact CD1-CG 3.93Å; L150-F271 HydrophobicContact CD1-CZ 3.56Å; L150-F271 HydrophobicContact CD2-CD2 3.98Å; L150-F271 HydrophobicContact CD2-CE2 4.36Å; L150-F271 HydrophobicContact CD2-CG 4.34Å; L150-F271 HydrophobicContact CG-CD2 3.73Å; L150-F271 HydrophobicContact CG-CE2 3.6Å; L150-F271 HydrophobicContact CG-CG 4.28Å; L150-F271 HydrophobicContact CG-CZ 4.06Å |
| 151 | Y | 81.6 | Confident | 66.1 | Low | 18 Ų | 18 | 4 Ų | 4 | 7% | 0.071 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -67.6 | -49.8 | 175.1 | 166.7 | -105.4 | 0 | 0 | 0 | 109.7 | C147 E148 Y153 G154 V155 M264 V267 I299 Y300 | C147-Y151 VanDerWaalsContact O-CA 3.23Å; C147-Y151 WeakPolarHBondContact O-CA 3.41Å; C147-Y151 WeakPolarHBondContact O-CB 3.1Å; C147-Y151 PolarHBondContact O-N 3.08Å; E148-Y151 PolarHBondContact O-N 3.19Å; Y151-Y153 VanDerWaalsContact C-N 3.3Å; Y151-Y153 PolarHBondContact O-N 3.4Å; Y151-G154 CarbonylContact O-C 3.6Å; Y151-G154 PolarHBondContact O-N 3.36Å; Y151-V155 HydrophobicContact CD1-CG2 4.27Å; Y151-V155 HydrophobicContact CD2-CG2 3.95Å; Y151-V155 HydrophobicContact CE1-CG2 4.01Å; Y151-V155 HydrophobicContact CE2-CG2 3.67Å; Y151-V155 HydrophobicContact CG-CG2 4.24Å; Y151-V155 VanDerWaalsContact O-CB 3.27Å; Y151-V155 WeakPolarHBondContact O-CB 3.39Å; Y151-V155 WeakPolarHBondContact O-CG2 3.16Å; Y151-V155 PolarHBondContact O-N 2.58Å; Y151-M264 HydrophobicContact CD1-CG 4.27Å; Y151-M264 HydrophobicContact CD2-CB 4.32Å; Y151-M264 HydrophobicContact CD2-CG 4.06Å; Y151-M264 HydrophobicContact CE2-CG 4.33Å; Y151-M264 HydrophobicContact CG-CG 4.02Å; Y151-V267 HydrophobicContact CD2-CB 3.8Å; Y151-V267 HydrophobicContact CD2-CG1 4.3Å; Y151-V267 HydrophobicContact CD2-CG2 3.66Å; Y151-V267 HydrophobicContact CE2-CB 4.37Å; Y151-V267 HydrophobicContact CE2-CG2 3.71Å; Y151-I299 HydrophobicContact CE2-CG2 3.98Å; Y151-Y300 HydrophobicContact CE1-CD2 4.3Å; Y151-Y300 PolarHBondContact OH-N 3.08Å |
| 152 | L | 82.1 | Confident | 67.9 | Low | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 176.1 | -71 | 168.9 | 0 | 0 | 0 | 109.4 | V21 N25 I28 E148 V155 M156 Y300 | V21-L152 HydrophobicContact CG1-CD1 4Å; N25-L152 WeakPolarHBondContact OD1-CD2 2.94Å; I28-L152 HydrophobicContact CD1-CB 4.17Å; I28-L152 HydrophobicContact CD1-CD2 3.38Å; I28-L152 HydrophobicContact CD1-CG 4.36Å; E148-L152 HydrophobicContact CB-CD1 4.47Å; E148-L152 HydrophobicContact CG-CD1 3.9Å; E148-L152 HydrophobicContact CG-CG 4.06Å; E148-L152 WeakPolarHBondContact O-CA 3.45Å; E148-L152 WeakPolarHBondContact O-CB 3.3Å; E148-L152 WeakPolarHBondContact O-CD1 3.33Å; E148-L152 WeakPolarHBondContact O-CG 3.22Å; E148-L152 PolarHBondContact O-N 3.48Å; L152-V155 PolarHBondContact O-N 2.86Å; L152-M156 HydrophobicContact CB-CE 4.29Å; L152-M156 WeakPolarHBondContact O-CB 3.36Å; L152-M156 WeakPolarHBondContact O-CG 3.28Å; L152-M156 PolarHBondContact O-N 3.18Å; L152-Y300 HydrophobicContact CD2-CD2 4.29Å; L152-Y300 HydrophobicContact CD2-CE2 3.84Å |
| 153 | Y | 85 | Confident | 70 | Confident | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.1 | -50.3 | 172.1 | -177.3 | -119.6 | 0 | 0 | 0 | 111.9 | V104 Y107 I108 A149 Y151 V155 M156 L157 F271 | V104-Y153 HydrophobicContact CG1-CE2 4.29Å; Y107-Y153 HydrophobicContact CD1-CD2 4.18Å; I108-Y153 HydrophobicContact CB-CD2 4.2Å; I108-Y153 HydrophobicContact CB-CE2 3.75Å; I108-Y153 HydrophobicContact CD1-CD1 4.12Å; I108-Y153 HydrophobicContact CD1-CE1 4.06Å; I108-Y153 HydrophobicContact CD1-CG 4.41Å; I108-Y153 HydrophobicContact CG1-CE1 4.17Å; I108-Y153 HydrophobicContact CG1-CE2 4.21Å; I108-Y153 HydrophobicContact CG2-CE2 4.06Å; A149-Y153 VanDerWaalsContact O-CB 3.31Å; A149-Y153 WeakPolarHBondContact O-CB 3.02Å; A149-Y153 PolarHBondContact O-N 3.19Å; Y151-Y153 VanDerWaalsContact C-N 3.3Å; Y151-Y153 PolarHBondContact O-N 3.4Å; Y153-V155 VanDerWaalsContact C-N 3.26Å; Y153-V155 PolarHBondContact O-N 3.34Å; Y153-M156 WeakPolarHBondContact O-CB 3.37Å; Y153-M156 PolarHBondContact O-N 3.31Å; Y153-L157 HydrophobicContact CD1-CD1 4.24Å; Y153-L157 HydrophobicContact CE1-CD1 3.7Å; Y153-L157 HydrophobicContact CE1-CG 4.42Å; Y153-L157 HydrophobicContact CE2-CD1 4.35Å; Y153-L157 HydrophobicContact CE2-CD2 4.26Å; Y153-L157 HydrophobicContact CE2-CG 4.25Å; Y153-L157 WeakPolarHBondContact O-CG 3.5Å; Y153-L157 PolarHBondContact O-N 3.43Å; Y153-F271 HydrophobicContact CD1-CE1 4.06Å; Y153-F271 AromaticContact CD1-CZ 3.87Å; Y153-F271 HydrophobicContact CD1-CZ 3.87Å; Y153-F271 HydrophobicContact CE1-CE1 4.28Å; Y153-F271 HydrophobicContact CE1-CZ 4.47Å |
| 154 | G | 82.6 | Confident | 72.2 | Confident | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.4 | -37.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L150 Y151 L157 L158 | L150-G154 PolarHBondContact O-N 3.5Å; Y151-G154 CarbonylContact O-C 3.6Å; Y151-G154 PolarHBondContact O-N 3.36Å; G154-L157 PolarHBondContact O-N 3.34Å; G154-L158 WeakPolarHBondContact O-CB 2.76Å; G154-L158 WeakPolarHBondContact O-CG 3.23Å; G154-L158 PolarHBondContact O-N 2.69Å |
| 155 | V | 83.4 | Confident | 74.5 | Confident | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68.4 | -43.6 | 175.2 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | I28 Y151 L152 Y153 L157 L158 V159 I299 Y300 | I28-V155 HydrophobicContact CD1-CB 4.37Å; I28-V155 HydrophobicContact CD1-CG1 3.89Å; Y151-V155 HydrophobicContact CD1-CG2 4.27Å; Y151-V155 HydrophobicContact CD2-CG2 3.95Å; Y151-V155 HydrophobicContact CE1-CG2 4.01Å; Y151-V155 HydrophobicContact CE2-CG2 3.67Å; Y151-V155 HydrophobicContact CG-CG2 4.24Å; Y151-V155 VanDerWaalsContact O-CB 3.27Å; Y151-V155 WeakPolarHBondContact O-CB 3.39Å; Y151-V155 WeakPolarHBondContact O-CG2 3.16Å; Y151-V155 PolarHBondContact O-N 2.58Å; L152-V155 PolarHBondContact O-N 2.86Å; Y153-V155 VanDerWaalsContact C-N 3.26Å; Y153-V155 PolarHBondContact O-N 3.34Å; V155-L157 VanDerWaalsContact C-N 3.31Å; V155-L157 PolarHBondContact O-N 2.84Å; V155-L158 PolarHBondContact O-N 3.39Å; V155-V159 HydrophobicContact CG1-CG2 3.91Å; V155-V159 VanDerWaalsContact O-CB 3.26Å; V155-V159 WeakPolarHBondContact O-CB 3.48Å; V155-V159 WeakPolarHBondContact O-CG2 3.41Å; V155-V159 PolarHBondContact O-N 3.25Å; V155-I299 HydrophobicContact CG2-CG2 3.82Å; V155-Y300 HydrophobicContact CG1-CD1 4.17Å; V155-Y300 HydrophobicContact CG1-CD2 4.2Å; V155-Y300 HydrophobicContact CG1-CG 3.75Å |
| 156 | M | 86.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -55.6 | -49 | 174.2 | -73.6 | 169.3 | -154.1 | 0 | 0 | 110.4 | G24 I27 I28 L31 V104 Y107 L152 Y153 V159 I160 | G24-M156 WeakPolarHBondContact O-CE 3.47Å; I27-M156 HydrophobicContact CB-CE 4.08Å; I27-M156 HydrophobicContact CB-SD 4.33Å; I27-M156 HydrophobicContact CD1-CE 4.35Å; I27-M156 HydrophobicContact CG2-CE 4.22Å; I27-M156 HydrophobicContact CG2-CG 4.22Å; I27-M156 HydrophobicContact CG2-SD 3.81Å; I28-M156 HydrophobicContact CD1-CG 4.19Å; I28-M156 HydrophobicContact CG1-CE 4.24Å; I28-M156 HydrophobicContact CG1-CG 3.49Å; I28-M156 VanDerWaalsContact CG1-CG 3.49Å; L31-M156 HydrophobicContact CD1-CB 4.24Å; L31-M156 HydrophobicContact CD1-CG 4.24Å; V104-M156 HydrophobicContact CG1-SD 4.36Å; V104-M156 HydrophobicContact CG2-SD 4.39Å; Y107-M156 HydrophobicContact CD1-CE 4.31Å; Y107-M156 HydrophobicContact CD1-SD 4.48Å; Y107-M156 HydrophobicContact CD2-CE 4.13Å; Y107-M156 HydrophobicContact CE1-CE 4.28Å; Y107-M156 HydrophobicContact CE2-CE 4.05Å; Y107-M156 HydrophobicContact CG-CE 4.24Å; L152-M156 HydrophobicContact CB-CE 4.29Å; L152-M156 WeakPolarHBondContact O-CB 3.36Å; L152-M156 WeakPolarHBondContact O-CG 3.28Å; L152-M156 PolarHBondContact O-N 3.18Å; Y153-M156 WeakPolarHBondContact O-CB 3.37Å; Y153-M156 PolarHBondContact O-N 3.31Å; M156-V159 PolarHBondContact O-N 3Å; M156-I160 WeakPolarHBondContact O-CB 3.19Å; M156-I160 WeakPolarHBondContact O-CD1 3.27Å; M156-I160 WeakPolarHBondContact O-CG1 3.13Å; M156-I160 PolarHBondContact O-N 2.91Å |
| 157 | L | 84.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.9 | -48.7 | 178.6 | -68.5 | -176.3 | 0 | 0 | 0 | 111.5 | Y153 G154 V155 I160 D161 L196 Y218 F219 | Y153-L157 HydrophobicContact CD1-CD1 4.24Å; Y153-L157 HydrophobicContact CE1-CD1 3.7Å; Y153-L157 HydrophobicContact CE1-CG 4.42Å; Y153-L157 HydrophobicContact CE2-CD1 4.35Å; Y153-L157 HydrophobicContact CE2-CD2 4.26Å; Y153-L157 HydrophobicContact CE2-CG 4.25Å; Y153-L157 WeakPolarHBondContact O-CG 3.5Å; Y153-L157 PolarHBondContact O-N 3.43Å; G154-L157 PolarHBondContact O-N 3.34Å; V155-L157 VanDerWaalsContact C-N 3.31Å; V155-L157 PolarHBondContact O-N 2.84Å; L157-I160 PolarHBondContact O-N 3.39Å; L157-D161 PolarHBondContact O-N 3.49Å; L157-D161 VanDerWaalsContact O-N 3.12Å; L157-L196 HydrophobicContact CD2-CD1 4.02Å; L157-Y218 HydrophobicContact CB-CD1 4.15Å; L157-Y218 HydrophobicContact CB-CE1 3.52Å; L157-Y218 HydrophobicContact CD2-CE1 4.14Å; L157-Y218 HydrophobicContact CD2-CE2 4.07Å; L157-Y218 WeakPolarHBondContact CD2-OH 3.25Å; L157-Y218 HydrophobicContact CG-CE1 4.25Å; L157-Y218 WeakPolarHBondContact O-CE1 3.37Å; L157-F219 HydrophobicContact CB-CE1 3.99Å; L157-F219 HydrophobicContact CD1-CD1 3.75Å; L157-F219 HydrophobicContact CD1-CE1 3.99Å; L157-F219 HydrophobicContact CD1-CG 4.41Å |
| 158 | L | 84 | Confident | 80 | Confident | 34 Ų | 34 | 18.3 Ų | 18.3 | 18% | 0.178 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 178.4 | -70.4 | 171.3 | 0 | 0 | 0 | 112.5 | G154 V155 D161 Q162 P215 F219 | G154-L158 WeakPolarHBondContact O-CB 2.76Å; G154-L158 WeakPolarHBondContact O-CG 3.23Å; G154-L158 PolarHBondContact O-N 2.69Å; V155-L158 PolarHBondContact O-N 3.39Å; L158-D161 PolarHBondContact O-N 3.41Å; L158-Q162 VanDerWaalsContact O-CB 3.25Å; L158-Q162 WeakPolarHBondContact O-CB 3.46Å; L158-Q162 PolarHBondContact O-N 2.89Å; L158-P215 HydrophobicContact CD2-CB 4.42Å; L158-F219 HydrophobicContact CD1-CZ 4.29Å; L158-F219 HydrophobicContact CD2-CE1 4.41Å; L158-F219 HydrophobicContact CD2-CZ 4.41Å; L158-F219 HydrophobicContact CG-CE1 4.31Å; L158-F219 HydrophobicContact CG-CZ 4.06Å |
| 159 | V | 83.6 | Confident | 81 | Confident | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 178 | 167.9 | 0 | 0 | 0 | 0 | 110.6 | L32 V155 M156 Q162 K163 I303 | L32-V159 HydrophobicContact CD2-CG1 3.76Å; L32-V159 HydrophobicContact CG-CG1 4.26Å; V155-V159 HydrophobicContact CG1-CG2 3.91Å; V155-V159 VanDerWaalsContact O-CB 3.26Å; V155-V159 WeakPolarHBondContact O-CB 3.48Å; V155-V159 WeakPolarHBondContact O-CG2 3.41Å; V155-V159 PolarHBondContact O-N 3.25Å; M156-V159 PolarHBondContact O-N 3Å; V159-Q162 PolarHBondContact O-N 2.92Å; V159-K163 HydrophobicContact CG1-CG 4.18Å; V159-K163 VanDerWaalsContact O-CB 3.25Å; V159-K163 WeakPolarHBondContact O-CB 3.49Å; V159-K163 WeakPolarHBondContact O-CG 3.28Å; V159-K163 PolarHBondContact O-N 3.45Å; V159-I303 HydrophobicContact CG2-CD1 3.9Å |
| 160 | I | 84.1 | Confident | 81.5 | Confident | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.7 | -50.3 | 175.7 | -70.2 | 164.2 | 0 | 0 | 0 | 110.1 | L31 F101 V104 M156 L157 Q162 I164 L197 | L31-I160 HydrophobicContact CD1-CD1 3.99Å; L31-I160 HydrophobicContact CD1-CG1 3.86Å; L31-I160 HydrophobicContact CD2-CD1 4.3Å; L31-I160 HydrophobicContact CD2-CG1 4Å; F101-I160 HydrophobicContact CE1-CG2 4.5Å; V104-I160 HydrophobicContact CG1-CD1 4.37Å; V104-I160 HydrophobicContact CG2-CD1 4.1Å; M156-I160 WeakPolarHBondContact O-CB 3.19Å; M156-I160 WeakPolarHBondContact O-CD1 3.27Å; M156-I160 WeakPolarHBondContact O-CG1 3.13Å; M156-I160 PolarHBondContact O-N 2.91Å; L157-I160 PolarHBondContact O-N 3.39Å; I160-Q162 VanDerWaalsContact C-N 3.34Å; I160-Q162 PolarHBondContact O-N 2.89Å; I160-I164 CarbonylContact O-C 3.13Å; I160-I164 WeakPolarHBondContact O-CA 3.42Å; I160-I164 WeakPolarHBondContact O-CB 3.44Å; I160-I164 PolarHBondContact O-N 2.95Å; I160-L197 HydrophobicContact CD1-CD2 4.3Å; I160-L197 HydrophobicContact CG2-CD2 3.93Å |
| 161 | D | 79.6 | Confident | 81.9 | Confident | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.6 | -33.1 | -178.8 | -90.3 | 27.9 | 0 | 0 | 0 | 112.8 | L157 L158 R169 T200 Y202 Y214 Y218 | L157-D161 PolarHBondContact O-N 3.49Å; L157-D161 VanDerWaalsContact O-N 3.12Å; L158-D161 PolarHBondContact O-N 3.41Å; D161-R169 IonicContact OD1-CZ 2.8Å; D161-R169 IonicContact OD1-NH1 2.73Å; D161-R169 PolarHBondContact OD1-NH1 3.47Å; D161-R169 IonicContact OD1-NH2 3.91Å; D161-R169 PolarHBondContact OD1-NH2 2.64Å; D161-R169 IonicContact OD2-NH2 3.9Å; D161-T200 WeakPolarHBondContact OD2-CB 3.49Å; D161-T200 VanDerWaalsContact OD2-CG2 3.29Å; D161-T200 WeakPolarHBondContact OD2-CG2 3.24Å; D161-T200 PolarHBondContact OD2-OG1 3.45Å; D161-Y202 HydrophobicContact CB-CD1 4.11Å; D161-Y214 WeakPolarHBondContact CB-OH 3.48Å; D161-Y214 VanDerWaalsContact OD2-CE2 3.26Å; D161-Y214 WeakPolarHBondContact OD2-CE2 3.12Å; D161-Y214 PolarHBondContact OD2-OH 2.61Å; D161-Y218 HydrophobicContact CB-CE1 4.46Å; D161-Y218 WeakPolarHBondContact OD1-CE1 3.36Å; D161-Y218 PolarHBondContact OD1-OH 3.11Å |
| 162 | Q | 78.6 | Confident | 81.9 | Confident | 64 Ų | 64 | 19.6 Ų | 19.6 | 30% | 0.299 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -77 | -37.4 | 179.4 | -171 | -179.7 | 8.6 | 0 | 0 | 112.8 | L158 V159 I160 A204 | L158-Q162 VanDerWaalsContact O-CB 3.25Å; L158-Q162 WeakPolarHBondContact O-CB 3.46Å; L158-Q162 PolarHBondContact O-N 2.89Å; V159-Q162 PolarHBondContact O-N 2.92Å; I160-Q162 VanDerWaalsContact C-N 3.34Å; I160-Q162 PolarHBondContact O-N 2.89Å; Q162-A204 HydrophobicContact CG-CB 4.22Å |
| 163 | K | 80.1 | Confident | 81.8 | Confident | 83 Ų | 83 | 19.8 Ų | 19.8 | 36% | 0.361 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -98.8 | -28.4 | -173 | -64.7 | -68.1 | -173.8 | 172.1 | 0 | 113.6 | L32 V159 | L32-K163 HydrophobicContact CD2-CG 4.46Å; V159-K163 HydrophobicContact CG1-CG 4.18Å; V159-K163 VanDerWaalsContact O-CB 3.25Å; V159-K163 WeakPolarHBondContact O-CB 3.49Å; V159-K163 WeakPolarHBondContact O-CG 3.28Å; V159-K163 PolarHBondContact O-N 3.45Å |
| 164 | I | 80.6 | Confident | 81.6 | Confident | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.015 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -123.3 | 103.1 | -178.2 | -40 | -178.6 | 0 | 0 | 0 | 109.2 | I38 F97 F101 I160 V168 R169 | I38-I164 HydrophobicContact CD1-CB 4.42Å; I38-I164 HydrophobicContact CD1-CG1 4.11Å; I38-I164 HydrophobicContact CD1-CG2 4.05Å; F97-I164 HydrophobicContact CE1-CD1 4.37Å; F101-I164 HydrophobicContact CE1-CD1 4.07Å; F101-I164 HydrophobicContact CZ-CD1 4.03Å; I160-I164 CarbonylContact O-C 3.13Å; I160-I164 WeakPolarHBondContact O-CA 3.42Å; I160-I164 WeakPolarHBondContact O-CB 3.44Å; I160-I164 PolarHBondContact O-N 2.95Å; I164-V168 HydrophobicContact CG2-CG1 4.43Å; I164-R169 HydrophobicContact CB-CG 3.98Å; I164-R169 HydrophobicContact CG2-CG 3.42Å; I164-R169 VanDerWaalsContact CG2-CG 3.42Å; I164-R169 PolarHBondContact O-NE 3.33Å |
| 165 | E | 80.6 | Confident | 81.4 | Confident | 67 Ų | 67 | 19.8 Ų | 19.8 | 31% | 0.313 | 10% | 0.096 | S | C | . | . | trans | -53.9 | 145.6 | 179.7 | -66.7 | 175.7 | 177.5 | 0 | 0 | 111.5 | D167 V168 R169 | E165-D167 PolarHBondContact O-N 2.64Å; E165-V168 HydrophobicContact CB-CB 4.47Å; E165-V168 HydrophobicContact CB-CG2 4.07Å; E165-V168 PolarHBondContact O-N 3.08Å; E165-R169 PolarHBondContact O-N 3.08Å; E165-R169 VanDerWaalsContact O-N 3.11Å | ||
| 166 | G | 77.3 | Confident | 81.2 | Confident | 7 Ų | 7 | 21.4 Ų | 21.4 | 7% | 0.072 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -51.6 | -53.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V168 R169 E170 | G166-V168 VanDerWaalsContact C-N 3.26Å; G166-V168 PolarHBondContact O-N 3.1Å; G166-R169 WeakPolarHBondContact O-CB 3.46Å; G166-R169 PolarHBondContact O-N 3.37Å; G166-R169 VanDerWaalsContact O-N 3.12Å; G166-E170 WeakPolarHBondContact O-CG 3.41Å; G166-E170 PolarHBondContact O-N 2.77Å |
| 167 | D | 78.1 | Confident | 80.8 | Confident | 80 Ų | 80 | 25.8 Ų | 25.8 | 43% | 0.428 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -59.8 | -37.9 | -178.2 | -52.7 | -14.8 | 0 | 0 | 0 | 111.9 | E165 E170 R171 | E165-D167 PolarHBondContact O-N 2.64Å; D167-E170 PolarHBondContact O-N 2.73Å; D167-R171 VanDerWaalsContact O-CG 3.22Å; D167-R171 WeakPolarHBondContact O-CG 3.38Å; D167-R171 PolarHBondContact O-N 3Å |
| 168 | V | 81.2 | Confident | 80.4 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.024 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.5 | -41.7 | 178.5 | 179.1 | 0 | 0 | 0 | 0 | 111 | I38 F42 R43 I164 E165 G166 E170 R171 M172 | I38-V168 HydrophobicContact CG2-CG1 3.85Å; F42-V168 HydrophobicContact CB-CG1 4.09Å; R43-V168 HydrophobicContact CG-CG2 4.17Å; I164-V168 HydrophobicContact CG2-CG1 4.43Å; E165-V168 HydrophobicContact CB-CB 4.47Å; E165-V168 HydrophobicContact CB-CG2 4.07Å; E165-V168 PolarHBondContact O-N 3.08Å; G166-V168 VanDerWaalsContact C-N 3.26Å; G166-V168 PolarHBondContact O-N 3.1Å; V168-E170 VanDerWaalsContact C-N 3.35Å; V168-R171 PolarHBondContact O-N 3.34Å; V168-M172 HydrophobicContact CG1-CG 4.45Å; V168-M172 HydrophobicContact CG1-SD 3.87Å; V168-M172 VanDerWaalsContact O-CG 3.25Å; V168-M172 WeakPolarHBondContact O-CG 3.41Å; V168-M172 PolarHBondContact O-N 2.96Å |
| 169 | R | 81.8 | Confident | 79.9 | Confident | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.5 | -46.2 | 175.2 | -69.5 | -178.9 | -76.9 | 170.9 | -7.9 | 111.4 | F101 D161 I164 E165 G166 R171 M172 L173 | F101-R169 HydrophobicContact CZ-CG 4.2Å; D161-R169 IonicContact OD1-CZ 2.8Å; D161-R169 IonicContact OD1-NH1 2.73Å; D161-R169 PolarHBondContact OD1-NH1 3.47Å; D161-R169 IonicContact OD1-NH2 3.91Å; D161-R169 PolarHBondContact OD1-NH2 2.64Å; D161-R169 IonicContact OD2-NH2 3.9Å; I164-R169 HydrophobicContact CB-CG 3.98Å; I164-R169 HydrophobicContact CG2-CG 3.42Å; I164-R169 VanDerWaalsContact CG2-CG 3.42Å; I164-R169 PolarHBondContact O-NE 3.33Å; E165-R169 PolarHBondContact O-N 3.08Å; E165-R169 VanDerWaalsContact O-N 3.11Å; G166-R169 WeakPolarHBondContact O-CB 3.46Å; G166-R169 PolarHBondContact O-N 3.37Å; G166-R169 VanDerWaalsContact O-N 3.12Å; R169-R171 PolarHBondContact O-N 3.35Å; R169-M172 PolarHBondContact O-N 2.84Å; R169-L173 WeakPolarHBondContact O-CB 3.47Å; R169-L173 WeakPolarHBondContact O-CG 3.44Å; R169-L173 PolarHBondContact O-N 3.2Å |
| 170 | E | 81.4 | Confident | 79.2 | Confident | 15 Ų | 15 | 26.6 Ų | 26.6 | 7% | 0.07 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.9 | -46 | -179.9 | -64.7 | -168.7 | 178.9 | 0 | 0 | 111.1 | F60 G166 D167 V168 M172 L173 V174 S199 | F60-E170 HydrophobicContact CB-CG 4.46Å; F60-E170 WeakPolarHBondContact CB-OE2 3.37Å; F60-E170 HydrophobicContact CD1-CB 3.55Å; F60-E170 HydrophobicContact CD1-CG 3.8Å; F60-E170 HydrophobicContact CD2-CB 4.27Å; F60-E170 HydrophobicContact CD2-CG 3.57Å; F60-E170 WeakPolarHBondContact CD2-OE1 3.19Å; F60-E170 HydrophobicContact CE1-CB 3.79Å; F60-E170 HydrophobicContact CE1-CG 3.9Å; F60-E170 HydrophobicContact CE2-CB 4.46Å; F60-E170 HydrophobicContact CE2-CG 3.68Å; F60-E170 HydrophobicContact CG-CB 3.83Å; F60-E170 HydrophobicContact CG-CG 3.66Å; F60-E170 HydrophobicContact CZ-CB 4.24Å; F60-E170 HydrophobicContact CZ-CG 3.84Å; G166-E170 WeakPolarHBondContact O-CG 3.41Å; G166-E170 PolarHBondContact O-N 2.77Å; D167-E170 PolarHBondContact O-N 2.73Å; V168-E170 VanDerWaalsContact C-N 3.35Å; E170-M172 PolarHBondContact O-N 3.14Å; E170-L173 PolarHBondContact O-N 3.5Å; E170-V174 WeakPolarHBondContact O-CB 3.29Å; E170-V174 VanDerWaalsContact O-CG2 3.26Å; E170-V174 WeakPolarHBondContact O-CG2 3.5Å; E170-V174 PolarHBondContact O-N 3.36Å; E170-S199 WeakPolarHBondContact OE1-CB 3.26Å; E170-S199 PolarHBondContact OE1-N 3.41Å; E170-S199 PolarHBondContact OE1-OG 3.49Å |
| 171 | R | 82.4 | Confident | 77.9 | Confident | 42 Ų | 42 | 29.4 Ų | 29.4 | 16% | 0.158 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 176.9 | -71.1 | 170.4 | -173.7 | 161.1 | 12.5 | 113.6 | F42 I57 C58 D59 D167 V168 R169 S175 | F42-R171 HydrophobicContact CD1-CB 4.06Å; F42-R171 WeakPolarHBondContact O-CD 3.46Å; F42-R171 PolarHBondContact O-NH1 2.69Å; I57-R171 HydrophobicContact CG2-CB 3.74Å; I57-R171 HydrophobicContact CG2-CG 3.63Å; C58-R171 WeakPolarHBondContact O-CA 3.13Å; D59-R171 WeakPolarHBondContact OD1-CD 3.48Å; D59-R171 WeakPolarHBondContact OD1-CG 3.45Å; D59-R171 IonicContact OD1-CZ 3.34Å; D59-R171 IonicContact OD1-NE 3.49Å; D59-R171 PolarHBondContact OD1-NE 3.4Å; D59-R171 IonicContact OD1-NH2 3.94Å; D59-R171 IonicContact OD2-NE 2.87Å; D59-R171 IonicContact OD2-NH2 3.76Å; D167-R171 VanDerWaalsContact O-CG 3.22Å; D167-R171 WeakPolarHBondContact O-CG 3.38Å; D167-R171 PolarHBondContact O-N 3Å; V168-R171 PolarHBondContact O-N 3.34Å; R169-R171 PolarHBondContact O-N 3.35Å; R171-S175 VanDerWaalsContact O-CB 3.29Å; R171-S175 WeakPolarHBondContact O-CB 3.5Å; R171-S175 PolarHBondContact O-N 3.18Å; R171-S175 PolarHBondContact O-OG 3.37Å |
| 172 | M | 82 | Confident | 76.6 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | -178.1 | -70.1 | 176.6 | 74.7 | 0 | 0 | 111.3 | F42 L94 F97 V168 R169 E170 S175 Y176 | F42-M172 HydrophobicContact CB-CG 4.27Å; F42-M172 HydrophobicContact CD1-CG 3.94Å; F42-M172 HydrophobicContact CD2-CG 4.1Å; F42-M172 HydrophobicContact CE1-CG 4.31Å; F42-M172 HydrophobicContact CE2-CG 4.46Å; F42-M172 HydrophobicContact CG-CG 3.83Å; L94-M172 HydrophobicContact CD2-CB 3.85Å; L94-M172 HydrophobicContact CD2-CE 4.07Å; L94-M172 HydrophobicContact CD2-CG 4.05Å; F97-M172 HydrophobicContact CB-CE 3.89Å; F97-M172 HydrophobicContact CD1-CE 3.66Å; F97-M172 HydrophobicContact CD2-CE 3.28Å; F97-M172 HydrophobicContact CE1-CE 3.9Å; F97-M172 HydrophobicContact CE2-CE 3.56Å; F97-M172 HydrophobicContact CG-CE 3.32Å; F97-M172 HydrophobicContact CZ-CE 3.85Å; V168-M172 HydrophobicContact CG1-CG 4.45Å; V168-M172 HydrophobicContact CG1-SD 3.87Å; V168-M172 VanDerWaalsContact O-CG 3.25Å; V168-M172 WeakPolarHBondContact O-CG 3.41Å; V168-M172 PolarHBondContact O-N 2.96Å; R169-M172 PolarHBondContact O-N 2.84Å; E170-M172 PolarHBondContact O-N 3.14Å; M172-S175 PolarHBondContact O-N 3.01Å; M172-Y176 WeakPolarHBondContact O-CB 3.32Å; M172-Y176 PolarHBondContact O-N 3.25Å |
| 173 | L | 80.9 | Confident | 75.3 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 177.1 | -73.2 | 172.1 | 0 | 0 | 0 | 112 | F60 Y98 F101 R169 E170 Y176 Y177 I193 L197 | F60-L173 HydrophobicContact CE1-CB 4.05Å; F60-L173 HydrophobicContact CE1-CD1 4.22Å; F60-L173 HydrophobicContact CZ-CD1 3.9Å; Y98-L173 HydrophobicContact CD2-CD2 4.06Å; F101-L173 HydrophobicContact CD2-CD2 3.96Å; F101-L173 HydrophobicContact CD2-CG 4.47Å; R169-L173 WeakPolarHBondContact O-CB 3.47Å; R169-L173 WeakPolarHBondContact O-CG 3.44Å; R169-L173 PolarHBondContact O-N 3.2Å; E170-L173 PolarHBondContact O-N 3.5Å; L173-Y176 PolarHBondContact O-N 3.28Å; L173-Y177 WeakPolarHBondContact O-CB 3.47Å; L173-Y177 PolarHBondContact O-N 3.36Å; L173-I193 HydrophobicContact CD2-CG2 4.42Å; L173-L197 HydrophobicContact CD1-CB 4.02Å; L173-L197 HydrophobicContact CD1-CD1 3.96Å |
| 174 | V | 79.8 | Confident | 73.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.5 | -42.8 | 176.6 | 171 | 0 | 0 | 0 | 0 | 111.2 | C58 F60 Y62 F63 E170 Y176 Y177 R178 | C58-V174 HydrophobicContact CB-CG1 4.07Å; C58-V174 WeakPolarHBondContact O-CB 3.47Å; F60-V174 HydrophobicContact CD1-CG2 3.64Å; F60-V174 HydrophobicContact CE1-CG2 4.14Å; Y62-V174 HydrophobicContact CD1-CG1 3.98Å; Y62-V174 HydrophobicContact CG-CG1 3.85Å; F63-V174 HydrophobicContact CD2-CG2 4.29Å; F63-V174 HydrophobicContact CE2-CG2 3.62Å; F63-V174 HydrophobicContact CZ-CG2 4.08Å; E170-V174 WeakPolarHBondContact O-CB 3.29Å; E170-V174 VanDerWaalsContact O-CG2 3.26Å; E170-V174 WeakPolarHBondContact O-CG2 3.5Å; E170-V174 PolarHBondContact O-N 3.36Å; V174-Y176 PolarHBondContact O-N 3.33Å; V174-Y177 WeakPolarHBondContact O-CB 3.38Å; V174-Y177 PolarHBondContact O-N 3.1Å; V174-R178 HydrophobicContact CG1-CG 4.41Å; V174-R178 WeakPolarHBondContact O-CG 3.18Å; V174-R178 PolarHBondContact O-N 2.83Å |
| 175 | S | 78.5 | Confident | 71.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -43.3 | 176.4 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | R171 M172 Y177 R178 Y179 | R171-S175 VanDerWaalsContact O-CB 3.29Å; R171-S175 WeakPolarHBondContact O-CB 3.5Å; R171-S175 PolarHBondContact O-N 3.18Å; R171-S175 PolarHBondContact O-OG 3.37Å; M172-S175 PolarHBondContact O-N 3.01Å; S175-Y177 PolarHBondContact O-N 2.89Å; S175-R178 PolarHBondContact O-N 3.32Å; S175-Y179 WeakPolarHBondContact O-CB 3.48Å; S175-Y179 WeakPolarHBondContact O-CD2 3.44Å; S175-Y179 VanDerWaalsContact O-CG 3.23Å; S175-Y179 PolarHBondContact O-N 2.75Å |
| 176 | Y | 79.8 | Confident | 69.8 | Low | 35 Ų | 35 | 46.2 Ų | 46.2 | 14% | 0.137 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 173.5 | -179 | -103.6 | 0 | 0 | 0 | 111.7 | I91 L94 Y98 M172 L173 V174 Y179 S180 | I91-Y176 HydrophobicContact CD1-CD2 4.42Å; L94-Y176 HydrophobicContact CB-CD2 4.07Å; Y98-Y176 HydrophobicContact CD1-CD1 4.34Å; Y98-Y176 AromaticContact CD1-CE1 3.54Å; Y98-Y176 HydrophobicContact CD1-CE1 3.54Å; Y98-Y176 AromaticContact CD1-CZ 3.78Å; Y98-Y176 AromaticContact CD2-CD1 3.64Å; Y98-Y176 HydrophobicContact CD2-CD1 3.64Å; Y98-Y176 AromaticContact CD2-CE1 3.62Å; Y98-Y176 HydrophobicContact CD2-CE1 3.62Å; Y98-Y176 AromaticContact CE1-CE1 3.94Å; Y98-Y176 HydrophobicContact CE1-CE1 3.94Å; Y98-Y176 HydrophobicContact CE2-CD1 4.24Å; Y98-Y176 HydrophobicContact CE2-CE1 4.01Å; Y98-Y176 AromaticContact CG-CD1 3.7Å; Y98-Y176 HydrophobicContact CG-CD1 3.7Å; Y98-Y176 AromaticContact CG-CE1 3.36Å; Y98-Y176 HydrophobicContact CG-CE1 3.36Å; Y98-Y176 HydrophobicContact CG-CG 4.43Å; Y98-Y176 AromaticContact CG-CZ 3.86Å; M172-Y176 WeakPolarHBondContact O-CB 3.32Å; M172-Y176 PolarHBondContact O-N 3.25Å; L173-Y176 PolarHBondContact O-N 3.28Å; V174-Y176 PolarHBondContact O-N 3.33Å; Y176-Y179 PolarHBondContact O-N 2.68Å; Y176-S180 WeakPolarHBondContact O-CA 3.5Å; Y176-S180 WeakPolarHBondContact O-CB 3.45Å; Y176-S180 PolarHBondContact O-N 3.4Å |
| 177 | Y | 77.4 | Confident | 68.3 | Low | 92 Ų | 92 | 53 Ų | 53 | 36% | 0.361 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.3 | -50.2 | 176.9 | 178.7 | -97.2 | 0 | 0 | 0 | 111.9 | Y62 F63 L173 V174 S175 Y179 S180 A181 L190 | Y62-Y177 HydrophobicContact CE1-CD1 4.22Å; Y62-Y177 HydrophobicContact CE1-CE1 4.25Å; F63-Y177 AromaticContact CE1-CD1 3.72Å; F63-Y177 HydrophobicContact CE1-CD1 3.72Å; F63-Y177 HydrophobicContact CE1-CD2 4.37Å; F63-Y177 AromaticContact CE1-CE1 3.86Å; F63-Y177 HydrophobicContact CE1-CE1 3.86Å; F63-Y177 HydrophobicContact CE1-CE2 4.49Å; F63-Y177 AromaticContact CE1-CG 3.99Å; F63-Y177 HydrophobicContact CE1-CG 3.99Å; F63-Y177 HydrophobicContact CZ-CD1 4.31Å; F63-Y177 HydrophobicContact CZ-CG 4.26Å; L173-Y177 WeakPolarHBondContact O-CB 3.47Å; L173-Y177 PolarHBondContact O-N 3.36Å; V174-Y177 WeakPolarHBondContact O-CB 3.38Å; V174-Y177 PolarHBondContact O-N 3.1Å; S175-Y177 PolarHBondContact O-N 2.89Å; Y177-Y179 VanDerWaalsContact C-N 3.33Å; Y177-Y179 PolarHBondContact O-N 2.88Å; Y177-S180 PolarHBondContact O-N 3.15Å; Y177-A181 WeakPolarHBondContact O-CB 3.25Å; Y177-A181 PolarHBondContact O-N 3.04Å; Y177-L190 HydrophobicContact CD2-CD1 4.04Å; Y177-L190 HydrophobicContact CD2-CD2 3.69Å; Y177-L190 HydrophobicContact CE2-CD2 4.25Å |
| 178 | R | 75.7 | Confident | 67.3 | Low | 28 Ų | 28 | 51.8 Ų | 51.8 | 11% | 0.106 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.6 | -42 | 178.6 | -72.1 | -178.5 | 69.1 | -120 | -24 | 112.1 | I56 Y62 E70 D83 V174 S175 | I56-R178 PolarHBondContact O-NH1 3.37Å; Y62-R178 HydrophobicContact CD1-CG 4.46Å; Y62-R178 HydrophobicContact CE1-CG 3.85Å; Y62-R178 HydrophobicContact CE2-CG 4.07Å; E70-R178 IonicContact OE1-CZ 3.94Å; E70-R178 IonicContact OE1-NE 2.79Å; E70-R178 PolarHBondContact OE1-NE 2.61Å; E70-R178 IonicContact OE1-NH2 3.36Å; E70-R178 PolarHBondContact OE1-NH2 3.35Å; E70-R178 IonicContact OE2-NH2 3.39Å; D83-R178 IonicContact OD1-NH1 3.08Å; D83-R178 IonicContact OD2-CZ 3.06Å; D83-R178 IonicContact OD2-NH1 3.96Å; D83-R178 IonicContact OD2-NH2 2.76Å; D83-R178 PolarHBondContact OD2-NH2 2.68Å; V174-R178 HydrophobicContact CG1-CG 4.41Å; V174-R178 WeakPolarHBondContact O-CG 3.18Å; V174-R178 PolarHBondContact O-N 2.83Å; S175-R178 PolarHBondContact O-N 3.32Å |
| 179 | Y | 74.8 | Confident | 66.6 | Low | 9 Ų | 9 | 55 Ų | 55 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -84.8 | -24.6 | -176.6 | -60 | -34.6 | 0 | 0 | 0 | 114.8 | D83 F86 R87 L94 S175 Y176 Y177 | D83-Y179 VanDerWaalsContact OD1-CE1 3.26Å; D83-Y179 WeakPolarHBondContact OD1-CE1 3.46Å; D83-Y179 PolarHBondContact OD1-OH 3.25Å; F86-Y179 AromaticContact CD1-CE2 3.87Å; F86-Y179 HydrophobicContact CD1-CE2 3.87Å; F86-Y179 AromaticContact CD1-CZ 3.94Å; F86-Y179 VanDerWaalsContact CD1-OH 3.24Å; F86-Y179 WeakPolarHBondContact CD1-OH 3.17Å; F86-Y179 HydrophobicContact CE1-CE2 4.22Å; R87-Y179 HydrophobicContact CB-CD1 3.75Å; R87-Y179 HydrophobicContact CB-CD2 4.24Å; R87-Y179 HydrophobicContact CB-CE1 3.82Å; R87-Y179 HydrophobicContact CB-CE2 4.31Å; R87-Y179 HydrophobicContact CB-CG 3.99Å; R87-Y179 HydrophobicContact CG-CD1 3.67Å; R87-Y179 HydrophobicContact CG-CD2 4.17Å; R87-Y179 HydrophobicContact CG-CE1 4.27Å; R87-Y179 HydrophobicContact CG-CG 3.63Å; R87-Y179 PolarHBondContact NE-O 3.28Å; R87-Y179 PolarHBondContact NH2-O 3.12Å; L94-Y179 HydrophobicContact CD1-CD2 4.12Å; L94-Y179 HydrophobicContact CD1-CE2 4.41Å; S175-Y179 WeakPolarHBondContact O-CB 3.48Å; S175-Y179 WeakPolarHBondContact O-CD2 3.44Å; S175-Y179 VanDerWaalsContact O-CG 3.23Å; S175-Y179 PolarHBondContact O-N 2.75Å; Y176-Y179 PolarHBondContact O-N 2.68Å; Y177-Y179 VanDerWaalsContact C-N 3.33Å; Y177-Y179 PolarHBondContact O-N 2.88Å |
| 180 | S | 69.2 | Low | 66 | Low | 16 Ų | 16 | 55.6 Ų | 55.6 | 11% | 0.112 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -98.2 | -9.9 | -177.5 | -162.3 | 0 | 0 | 0 | 0 | 113.3 | Y176 Y177 A182 R183 S184 | Y176-S180 WeakPolarHBondContact O-CA 3.5Å; Y176-S180 WeakPolarHBondContact O-CB 3.45Å; Y176-S180 PolarHBondContact O-N 3.4Å; Y177-S180 PolarHBondContact O-N 3.15Å; S180-A182 PolarHBondContact O-N 3.36Å; S180-R183 PolarHBondContact O-N 3.19Å; S180-S184 PolarHBondContact O-N 3.3Å; S180-S184 PolarHBondContact O-OG 3.28Å |
| 181 | A | 57.1 | Low | 65.5 | Low | 61 Ų | 61 | 60.5 Ų | 60.5 | 50% | 0.504 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -16.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y177 | Y177-A181 WeakPolarHBondContact O-CB 3.25Å; Y177-A181 PolarHBondContact O-N 3.04Å |
| 182 | A | 51.4 | Low | 65.2 | Low | 83 Ų | 83 | 61.6 Ų | 61.6 | 69% | 0.686 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -8.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115 | S180 | S180-A182 PolarHBondContact O-N 3.36Š|
| 183 | R | 50.4 | Low | 65 | Low | 229 Ų | 229 | 61.5 Ų | 61.5 | 86% | 0.864 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.7 | -15.8 | -173.2 | -81.9 | -169.7 | 175.6 | 177.5 | 0.3 | 116 | S180 S185 | S180-R183 PolarHBondContact O-N 3.19Å; R183-S185 PolarHBondContact O-N 3.28Å |
| 184 | S | 42.2 | Very low | 64.7 | Low | 57 Ų | 57 | 61.9 Ų | 61.9 | 40% | 0.399 | 36% | 0.356 | S | S | . | . | trans | -87.7 | 112 | 179.7 | 44.2 | 0 | 0 | 0 | 0 | 112.6 | S180 | S180-S184 PolarHBondContact O-N 3.3Å; S180-S184 PolarHBondContact O-OG 3.28Å | ||
| 185 | S | 40.4 | Very low | 64.7 | Low | 94 Ų | 94 | 67.5 Ų | 67.5 | 66% | 0.657 | 38% | 0.38 | S | S | * | . | trans | -50.2 | 155.3 | 154.3 | 39.6 | 0 | 0 | 0 | 0 | 111.9 | R183 D187 | R183-S185 PolarHBondContact O-N 3.28Å; S185-D187 PolarHBondContact O-N 3.35Å | ||
| 186 | A | 45 | Very low | 64.8 | Low | 110 Ų | 110 | 67.7 Ų | 67.7 | 91% | 0.909 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 21.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 187 | D | 45.8 | Very low | 64.7 | Low | 149 Ų | 149 | 66.1 Ų | 66.1 | 80% | 0.797 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | 11.7 | -171.8 | -88.2 | -22.3 | 0 | 0 | 0 | 114.5 | S185 | S185-D187 PolarHBondContact O-N 3.35Š|
| 188 | S | 55.8 | Low | 64.8 | Low | 55 Ų | 55 | 68.6 Ų | 68.6 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | trans | -80.4 | 125.6 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | L190 | S188-L190 PolarHBondContact O-N 2.98Š| ||
| 189 | N | 66.1 | Low | 64.9 | Low | 70 Ų | 70 | 69.4 Ų | 69.4 | 37% | 0.374 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 28.9 | 170.7 | -66.2 | -37.3 | 0 | 0 | 0 | 113.4 | D191 D192 I193 | N189-D191 VanDerWaalsContact C-N 3.32Å; N189-D191 PolarHBondContact O-N 2.94Å; N189-D192 PolarHBondContact O-N 3.11Å; N189-I193 HydrophobicContact CB-CD1 4.43Å; N189-I193 VanDerWaalsContact O-CG1 3.28Å; N189-I193 WeakPolarHBondContact O-CG1 3.22Å; N189-I193 PolarHBondContact O-N 2.81Å |
| 190 | L | 69.6 | Low | 64.7 | Low | 14 Ų | 14 | 70 Ų | 70 | 7% | 0.073 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.9 | -36.9 | -167.8 | -166 | 138.6 | 0 | 0 | 0 | 111.6 | Y98 Y177 S188 D192 I193 C194 | Y98-L190 HydrophobicContact CE2-CD1 3.83Å; Y98-L190 HydrophobicContact CE2-CG 4.21Å; Y177-L190 HydrophobicContact CD2-CD1 4.04Å; Y177-L190 HydrophobicContact CD2-CD2 3.69Å; Y177-L190 HydrophobicContact CE2-CD2 4.25Å; S188-L190 PolarHBondContact O-N 2.98Å; L190-D192 PolarHBondContact O-N 2.91Å; L190-I193 PolarHBondContact O-N 3.29Å; L190-C194 WeakPolarHBondContact O-CB 3.42Å; L190-C194 PolarHBondContact O-N 3.16Å; L190-C194 PolarHBondContact O-SG 3.49Å; L190-C194 VanDerWaalsContact O-SG 3.34Å |
| 191 | D | 71.4 | Confident | 64.5 | Low | 119 Ų | 119 | 72.1 Ų | 72.1 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 175.8 | -75.5 | -14.5 | 0 | 0 | 0 | 112.5 | N189 C194 K195 | N189-D191 VanDerWaalsContact C-N 3.32Å; N189-D191 PolarHBondContact O-N 2.94Å; D191-C194 PolarHBondContact O-N 3.08Å; D191-K195 VanDerWaalsContact O-CG 3.28Å; D191-K195 WeakPolarHBondContact O-CG 3.35Å; D191-K195 PolarHBondContact O-N 2.99Å |
| 192 | D | 75.1 | Confident | 65.2 | Low | 64 Ų | 64 | 72.5 Ų | 72.5 | 34% | 0.342 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -74.8 | -33.7 | 179.9 | -65.6 | -31.4 | 0 | 0 | 0 | 111.7 | N189 L190 K195 L196 | N189-D192 PolarHBondContact O-N 3.11Å; L190-D192 PolarHBondContact O-N 2.91Å; D192-K195 PolarHBondContact O-N 3.07Å; D192-K195 IonicContact OD1-NZ 3.14Å; D192-K195 PolarHBondContact OD1-NZ 2.56Å; D192-L196 WeakPolarHBondContact O-CB 3.47Å; D192-L196 PolarHBondContact O-N 3.42Å |
| 193 | I | 79 | Confident | 65.9 | Low | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 170.3 | -64.7 | 163.8 | 0 | 0 | 0 | 110.7 | Y98 F101 E102 H105 L173 N189 L190 K195 L196 L197 | Y98-I193 HydrophobicContact CE2-CD1 3.96Å; F101-I193 HydrophobicContact CB-CG2 4.14Å; E102-I193 HydrophobicContact CB-CD1 3.93Å; E102-I193 HydrophobicContact CG-CD1 3.99Å; H105-I193 HydrophobicContact CB-CG1 4.2Å; L173-I193 HydrophobicContact CD2-CG2 4.42Å; N189-I193 HydrophobicContact CB-CD1 4.43Å; N189-I193 VanDerWaalsContact O-CG1 3.28Å; N189-I193 WeakPolarHBondContact O-CG1 3.22Å; N189-I193 PolarHBondContact O-N 2.81Å; L190-I193 PolarHBondContact O-N 3.29Å; I193-K195 PolarHBondContact O-N 2.91Å; I193-L196 PolarHBondContact O-N 2.62Å; I193-L197 HydrophobicContact CG2-CD1 3.76Å; I193-L197 WeakPolarHBondContact O-CB 3.3Å; I193-L197 PolarHBondContact O-N 3.48Å |
| 194 | C | 75.1 | Confident | 66.4 | Low | 13 Ų | 13 | 62.2 Ų | 62.2 | 9% | 0.088 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 176.2 | -77.3 | 0 | 0 | 0 | 0 | 112.3 | F60 L190 D191 R198 | F60-C194 HydrophobicContact CE2-CB 4.39Å; F60-C194 WeakPolarHBondContact CE2-O 3.29Å; F60-C194 HydrophobicContact CZ-CB 4.04Å; L190-C194 WeakPolarHBondContact O-CB 3.42Å; L190-C194 PolarHBondContact O-N 3.16Å; L190-C194 PolarHBondContact O-SG 3.49Å; L190-C194 VanDerWaalsContact O-SG 3.34Å; D191-C194 PolarHBondContact O-N 3.08Å; C194-R198 PolarHBondContact O-N 3.33Å; C194-R198 VanDerWaalsContact O-N 3.14Å |
| 195 | K | 79.1 | Confident | 67.4 | Low | 119 Ų | 119 | 64.6 Ų | 64.6 | 52% | 0.517 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 171.4 | -73.9 | 170.5 | -158 | 157.2 | 0 | 111.2 | D191 D192 I193 R221 | D191-K195 VanDerWaalsContact O-CG 3.28Å; D191-K195 WeakPolarHBondContact O-CG 3.35Å; D191-K195 PolarHBondContact O-N 2.99Å; D192-K195 PolarHBondContact O-N 3.07Å; D192-K195 IonicContact OD1-NZ 3.14Å; D192-K195 PolarHBondContact OD1-NZ 2.56Å; I193-K195 PolarHBondContact O-N 2.91Å; K195-R221 WeakPolarHBondContact O-CD 3.34Å; K195-R221 PolarHBondContact O-NH1 3.45Å |
| 196 | L | 79.5 | Confident | 68 | Low | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 179.2 | -176.8 | 61.8 | 0 | 0 | 0 | 110.9 | V104 H105 L157 D192 I193 Y218 R221 V222 | V104-L196 HydrophobicContact CG1-CD2 4.25Å; H105-L196 HydrophobicContact CB-CD2 4.45Å; L157-L196 HydrophobicContact CD2-CD1 4.02Å; D192-L196 WeakPolarHBondContact O-CB 3.47Å; D192-L196 PolarHBondContact O-N 3.42Å; I193-L196 PolarHBondContact O-N 2.62Å; L196-Y218 VanDerWaalsContact O-CE2 3.28Å; L196-Y218 WeakPolarHBondContact O-CE2 3.5Å; L196-R221 HydrophobicContact CD1-CB 4.45Å; L196-R221 PolarHBondContact O-NH1 2.92Å; L196-V222 HydrophobicContact CD1-CG2 4.16Å |
| 197 | L | 79.1 | Confident | 68.5 | Low | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -94.9 | 5.2 | -170.3 | -66.3 | 172.1 | 0 | 0 | 0 | 115.9 | F101 I160 L173 I193 S199 | F101-L197 HydrophobicContact CB-CD1 3.51Å; F101-L197 HydrophobicContact CD1-CD1 3.52Å; F101-L197 HydrophobicContact CD1-CD2 4.13Å; F101-L197 HydrophobicContact CD2-CD1 3.67Å; F101-L197 HydrophobicContact CE1-CD1 4.14Å; F101-L197 HydrophobicContact CE1-CD2 4.36Å; F101-L197 HydrophobicContact CE2-CD1 4.25Å; F101-L197 HydrophobicContact CG-CD1 3.27Å; F101-L197 HydrophobicContact CZ-CD1 4.47Å; I160-L197 HydrophobicContact CD1-CD2 4.3Å; I160-L197 HydrophobicContact CG2-CD2 3.93Å; L173-L197 HydrophobicContact CD1-CB 4.02Å; L173-L197 HydrophobicContact CD1-CD1 3.96Å; I193-L197 HydrophobicContact CG2-CD1 3.76Å; I193-L197 WeakPolarHBondContact O-CB 3.3Å; I193-L197 PolarHBondContact O-N 3.48Å; L197-S199 PolarHBondContact O-N 3.17Å |
| 198 | R | 79.5 | Confident | 69.2 | Low | 144 Ų | 144 | 57.5 Ų | 57.5 | 54% | 0.543 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -52.5 | 140.8 | 174.6 | -176.4 | 178.9 | -68.4 | -174.6 | -0.9 | 111.5 | F60 C194 T200 R221 | F60-R198 HydrophobicContact CD2-CB 4.46Å; F60-R198 HydrophobicContact CD2-CG 4.3Å; F60-R198 HydrophobicContact CE2-CB 4.08Å; F60-R198 HydrophobicContact CE2-CG 4.42Å; C194-R198 PolarHBondContact O-N 3.33Å; C194-R198 VanDerWaalsContact O-N 3.14Å; R198-T200 PolarHBondContact O-N 2.9Å; R198-R221 PolarHBondContact O-NH1 3.41Å; R198-R221 PolarHBondContact O-NH2 3.44Å |
| 199 | S | 76.4 | Confident | 69.4 | Low | 44 Ų | 44 | 64.2 Ų | 64.2 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | trans | -47.3 | 130.3 | 176.8 | 63.4 | 0 | 0 | 0 | 0 | 111.9 | E170 L197 | E170-S199 WeakPolarHBondContact OE1-CB 3.26Å; E170-S199 PolarHBondContact OE1-N 3.41Å; E170-S199 PolarHBondContact OE1-OG 3.49Å; L197-S199 PolarHBondContact O-N 3.17Å | ||
| 200 | T | 72 | Confident | 69.5 | Low | 22 Ų | 22 | 64.2 Ų | 64.2 | 14% | 0.135 | 36% | 0.355 | C | S | . | . | trans | -94.3 | -6.6 | 176.6 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | D161 R198 Y202 P211 Y214 Y218 | D161-T200 WeakPolarHBondContact OD2-CB 3.49Å; D161-T200 VanDerWaalsContact OD2-CG2 3.29Å; D161-T200 WeakPolarHBondContact OD2-CG2 3.24Å; D161-T200 PolarHBondContact OD2-OG1 3.45Å; R198-T200 PolarHBondContact O-N 2.9Å; T200-Y202 PolarHBondContact O-N 3.49Å; T200-Y202 PolarHBondContact OG1-N 2.99Å; T200-P211 WeakPolarHBondContact O-CG 3.32Å; T200-Y214 HydrophobicContact CG2-CD2 4.36Å; T200-Y214 HydrophobicContact CG2-CE2 4.23Å; T200-Y218 HydrophobicContact CG2-CD1 4.3Å; T200-Y218 HydrophobicContact CG2-CD2 3.9Å; T200-Y218 HydrophobicContact CG2-CE2 4.39Å; T200-Y218 HydrophobicContact CG2-CG 3.87Å | ||
| 201 | G | 65 | Low | 69.6 | Low | 60 Ų | 60 | 65 Ų | 65 | 62% | 0.619 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 72 | 2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P211 | G201-P211 WeakPolarHBondContact O-CG 3.22Š|
| 202 | Y | 71 | Confident | 69.3 | Low | 70 Ų | 70 | 63.6 Ų | 63.6 | 28% | 0.275 | 37% | 0.366 | S | S | . | . | trans | -74.4 | 135.8 | 176.2 | 179.9 | -102 | 0 | 0 | 0 | 110.1 | D161 T200 A204 Y214 | D161-Y202 HydrophobicContact CB-CD1 4.11Å; T200-Y202 PolarHBondContact O-N 3.49Å; T200-Y202 PolarHBondContact OG1-N 2.99Å; Y202-A204 HydrophobicContact CE1-CB 4.43Å; Y202-Y214 HydrophobicContact CD1-CE1 4.43Å; Y202-Y214 AromaticContact CD2-CD1 3.96Å; Y202-Y214 HydrophobicContact CD2-CD1 3.96Å; Y202-Y214 AromaticContact CD2-CE1 3.49Å; Y202-Y214 HydrophobicContact CD2-CE1 3.49Å; Y202-Y214 VanDerWaalsContact CD2-CE1 3.49Å; Y202-Y214 AromaticContact CE2-CE1 3.95Å; Y202-Y214 HydrophobicContact CE2-CE1 3.95Å; Y202-Y214 HydrophobicContact CG-CD1 4.44Å; Y202-Y214 AromaticContact CG-CE1 3.78Å; Y202-Y214 HydrophobicContact CG-CE1 3.78Å; Y202-Y214 HydrophobicContact CG-CE2 4.47Å; Y202-Y214 AromaticContact CG-CZ 3.8Å | ||
| 203 | S | 66.5 | Low | 69.1 | Low | 42 Ų | 42 | 66 Ų | 66 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | trans | -130.8 | 131.4 | 173.6 | 177.4 | 0 | 0 | 0 | 0 | 108.9 | Q205 A208 | S203-Q205 PolarHBondContact O-N 3.17Å; S203-Q205 PolarHBondContact OG-N 3.09Å; S203-A208 WeakPolarHBondContact O-CB 3.17Å | ||
| 204 | A | 61 | Low | 68.9 | Low | 53 Ų | 53 | 66.7 Ų | 66.7 | 44% | 0.438 | 38% | 0.382 | S | S | . | . | trans | -78.6 | 6.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q162 Y202 | Q162-A204 HydrophobicContact CG-CB 4.22Å; Y202-A204 HydrophobicContact CE1-CB 4.43Å | ||
| 205 | Q | 62.2 | Low | 68.9 | Low | 108 Ų | 108 | 66.2 Ų | 66.2 | 51% | 0.505 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -74.6 | 142.1 | 179.2 | -66.7 | -148.4 | 6.6 | 0 | 0 | 112.3 | S203 G207 A208 | S203-Q205 PolarHBondContact O-N 3.17Å; S203-Q205 PolarHBondContact OG-N 3.09Å; Q205-G207 PolarHBondContact O-N 3.05Å; Q205-A208 WeakPolarHBondContact O-CB 3.48Å; Q205-A208 PolarHBondContact O-N 3.4Å; Q205-A208 VanDerWaalsContact O-N 3.07Å |
| 206 | P | 53.9 | Low | 68.9 | Low | 127 Ų | 127 | 61.8 Ų | 61.8 | 83% | 0.825 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 120.3 | 178.5 | -22.2 | 31.1 | 0 | 0 | 0 | 111.8 | ||
| 207 | G | 54.5 | Low | 68.7 | Low | 37 Ų | 37 | 64 Ų | 64 | 38% | 0.381 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | 2.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q205 K209 N395 | Q205-G207 PolarHBondContact O-N 3.05Å; G207-K209 PolarHBondContact O-N 2.99Å; G207-N395 WeakPolarHBondContact CA-ND2 3.32Å |
| 208 | A | 61 | Low | 68.7 | Low | 39 Ų | 39 | 63.9 Ų | 63.9 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 127.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S203 Q205 | S203-A208 WeakPolarHBondContact O-CB 3.17Å; Q205-A208 WeakPolarHBondContact O-CB 3.48Å; Q205-A208 PolarHBondContact O-N 3.4Å; Q205-A208 VanDerWaalsContact O-N 3.07Å |
| 209 | K | 60.8 | Low | 68.8 | Low | 197 Ų | 197 | 57.3 Ų | 57.3 | 86% | 0.857 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 132.6 | 177.8 | -73.3 | -175.7 | 178.5 | 179.2 | 0 | 110.3 | G207 | G207-K209 PolarHBondContact O-N 2.99Š|
| 210 | R | 68.4 | Low | 69 | Low | 69 Ų | 69 | 61.2 Ų | 61.2 | 26% | 0.26 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 128.4 | 171.3 | -176.5 | 176.6 | 175.1 | 172.9 | 0.1 | 110.7 | Y214 A310 | R210-Y214 HydrophobicContact CG-CD1 4.19Å; R210-Y214 PolarHBondContact NE-O 2.97Å; R210-Y214 PolarHBondContact NH2-O 3.43Å; R210-A310 PolarHBondContact NH1-O 3.15Å |
| 211 | P | 71.3 | Confident | 69.4 | Low | 31 Ų | 31 | 63.9 Ų | 63.9 | 20% | 0.201 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 150.9 | 174.7 | -22.5 | 32.7 | 0 | 0 | 0 | 112.6 | T200 G201 Y214 | T200-P211 WeakPolarHBondContact O-CG 3.32Å; G201-P211 WeakPolarHBondContact O-CG 3.22Å; P211-Y214 PolarHBondContact O-N 3.37Å |
| 212 | A | 65.4 | Low | 70 | Confident | 90 Ų | 90 | 62 Ų | 62 | 74% | 0.744 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 137.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y214 | A212-Y214 VanDerWaalsContact C-N 3.26Å; A212-Y214 PolarHBondContact O-N 3.27Å |
| 213 | N | 70.1 | Confident | 70.2 | Confident | 115 Ų | 115 | 63.7 Ų | 63.7 | 62% | 0.615 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 21.2 | 179.6 | -50.5 | -24.4 | 0 | 0 | 0 | 115.6 | E216 S217 | N213-E216 PolarHBondContact O-N 2.96Å; N213-S217 WeakPolarHBondContact O-CB 3.41Å; N213-S217 PolarHBondContact O-N 3.08Å; N213-S217 PolarHBondContact O-OG 3.01Å |
| 214 | Y | 75.3 | Confident | 70.8 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 6% | 0.055 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 139.3 | 170.9 | 178.6 | -97.8 | 0 | 0 | 0 | 110.2 | D161 T200 Y202 R210 P211 A212 Y218 | D161-Y214 WeakPolarHBondContact CB-OH 3.48Å; D161-Y214 VanDerWaalsContact OD2-CE2 3.26Å; D161-Y214 WeakPolarHBondContact OD2-CE2 3.12Å; D161-Y214 PolarHBondContact OD2-OH 2.61Å; T200-Y214 HydrophobicContact CG2-CD2 4.36Å; T200-Y214 HydrophobicContact CG2-CE2 4.23Å; Y202-Y214 HydrophobicContact CD1-CE1 4.43Å; Y202-Y214 AromaticContact CD2-CD1 3.96Å; Y202-Y214 HydrophobicContact CD2-CD1 3.96Å; Y202-Y214 AromaticContact CD2-CE1 3.49Å; Y202-Y214 HydrophobicContact CD2-CE1 3.49Å; Y202-Y214 VanDerWaalsContact CD2-CE1 3.49Å; Y202-Y214 AromaticContact CE2-CE1 3.95Å; Y202-Y214 HydrophobicContact CE2-CE1 3.95Å; Y202-Y214 HydrophobicContact CG-CD1 4.44Å; Y202-Y214 AromaticContact CG-CE1 3.78Å; Y202-Y214 HydrophobicContact CG-CE1 3.78Å; Y202-Y214 HydrophobicContact CG-CE2 4.47Å; Y202-Y214 AromaticContact CG-CZ 3.8Å; R210-Y214 HydrophobicContact CG-CD1 4.19Å; R210-Y214 PolarHBondContact NE-O 2.97Å; R210-Y214 PolarHBondContact NH2-O 3.43Å; P211-Y214 PolarHBondContact O-N 3.37Å; A212-Y214 VanDerWaalsContact C-N 3.26Å; A212-Y214 PolarHBondContact O-N 3.27Å; Y214-Y218 HydrophobicContact CE2-CD1 4.12Å |
| 215 | P | 74.9 | Confident | 71.7 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -89.4 | 4.4 | 0.8 | 36.7 | -36.4 | 0 | 0 | 0 | 114.4 | L158 S217 Y218 F219 F270 | L158-P215 HydrophobicContact CD2-CB 4.42Å; P215-S217 PolarHBondContact O-N 3.26Å; P215-Y218 WeakPolarHBondContact O-CB 3.43Å; P215-Y218 PolarHBondContact O-N 3.49Å; P215-F219 HydrophobicContact CB-CD1 4.11Å; P215-F219 HydrophobicContact CB-CE1 3.96Å; P215-F219 HydrophobicContact CB-CZ 4.49Å; P215-F219 WeakPolarHBondContact O-CD1 3.41Å; P215-F219 PolarHBondContact O-N 2.83Å; P215-F270 HydrophobicContact CG-CB 4.16Å; P215-F270 HydrophobicContact CG-CD1 3.66Å; P215-F270 HydrophobicContact CG-CD2 4.06Å; P215-F270 HydrophobicContact CG-CE1 4.03Å; P215-F270 HydrophobicContact CG-CE2 4.38Å; P215-F270 HydrophobicContact CG-CG 3.69Å; P215-F270 HydrophobicContact CG-CZ 4.38Å |
| 216 | E | 78.8 | Confident | 72.5 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 12% | 0.117 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.3 | -49.3 | -174.2 | -52 | 170.2 | -134.4 | 0 | 0 | 112.7 | N213 Y218 F219 Q220 P273 H277 Y314 | N213-E216 PolarHBondContact O-N 2.96Å; E216-Y218 PolarHBondContact O-N 3.47Å; E216-F219 PolarHBondContact O-N 3.47Å; E216-Q220 WeakPolarHBondContact O-CB 3.42Å; E216-Q220 WeakPolarHBondContact O-CG 3.46Å; E216-Q220 PolarHBondContact O-N 2.93Å; E216-P273 HydrophobicContact CB-CG 3.98Å; E216-P273 HydrophobicContact CG-CB 4.11Å; E216-P273 HydrophobicContact CG-CG 3.78Å; E216-P273 WeakPolarHBondContact OE2-CB 3.44Å; E216-P273 WeakPolarHBondContact OE2-CG 3.41Å; E216-H277 IonicContact OE1-NE2 3.83Å; E216-Y314 HydrophobicContact CG-CE1 4.37Å; E216-Y314 VanDerWaalsContact CG-OH 3.24Å; E216-Y314 WeakPolarHBondContact CG-OH 3.23Å; E216-Y314 WeakPolarHBondContact OE1-CE1 3.44Å; E216-Y314 VanDerWaalsContact OE1-CZ 3.27Å; E216-Y314 PolarHBondContact OE1-OH 2.98Å |
| 217 | S | 76.4 | Confident | 73.6 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 36% | 0.357 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.7 | -23.9 | 178.9 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | N213 P215 R221 | N213-S217 WeakPolarHBondContact O-CB 3.41Å; N213-S217 PolarHBondContact O-N 3.08Å; N213-S217 PolarHBondContact O-OG 3.01Å; P215-S217 PolarHBondContact O-N 3.26Å; S217-R221 WeakPolarHBondContact O-CG 3.32Å |
| 218 | Y | 78.3 | Confident | 74.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -80.5 | -42.9 | 176.4 | -178.2 | -144.9 | 0 | 0 | 0 | 110.7 | L157 D161 L196 T200 Y214 P215 E216 Q220 R221 | L157-Y218 HydrophobicContact CB-CD1 4.15Å; L157-Y218 HydrophobicContact CB-CE1 3.52Å; L157-Y218 HydrophobicContact CD2-CE1 4.14Å; L157-Y218 HydrophobicContact CD2-CE2 4.07Å; L157-Y218 WeakPolarHBondContact CD2-OH 3.25Å; L157-Y218 HydrophobicContact CG-CE1 4.25Å; L157-Y218 WeakPolarHBondContact O-CE1 3.37Å; D161-Y218 HydrophobicContact CB-CE1 4.46Å; D161-Y218 WeakPolarHBondContact OD1-CE1 3.36Å; D161-Y218 PolarHBondContact OD1-OH 3.11Å; L196-Y218 VanDerWaalsContact O-CE2 3.28Å; L196-Y218 WeakPolarHBondContact O-CE2 3.5Å; T200-Y218 HydrophobicContact CG2-CD1 4.3Å; T200-Y218 HydrophobicContact CG2-CD2 3.9Å; T200-Y218 HydrophobicContact CG2-CE2 4.39Å; T200-Y218 HydrophobicContact CG2-CG 3.87Å; Y214-Y218 HydrophobicContact CE2-CD1 4.12Å; P215-Y218 WeakPolarHBondContact O-CB 3.43Å; P215-Y218 PolarHBondContact O-N 3.49Å; E216-Y218 PolarHBondContact O-N 3.47Å; Y218-Q220 VanDerWaalsContact C-N 3.29Å; Y218-Q220 PolarHBondContact O-N 3.39Å; Y218-R221 WeakPolarHBondContact O-CB 3.5Å; Y218-R221 WeakPolarHBondContact O-CG 3.43Å; Y218-R221 PolarHBondContact O-N 3.46Å |
| 219 | F | 80.5 | Confident | 75.3 | Confident | 5 Ų | 5 | 57.5 Ų | 57.5 | 2% | 0.022 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.9 | -27.5 | 177.8 | -75.7 | 26.7 | 0 | 0 | 0 | 111.9 | L157 L158 P215 E216 R221 V267 F270 F271 | L157-F219 HydrophobicContact CB-CE1 3.99Å; L157-F219 HydrophobicContact CD1-CD1 3.75Å; L157-F219 HydrophobicContact CD1-CE1 3.99Å; L157-F219 HydrophobicContact CD1-CG 4.41Å; L158-F219 HydrophobicContact CD1-CZ 4.29Å; L158-F219 HydrophobicContact CD2-CE1 4.41Å; L158-F219 HydrophobicContact CD2-CZ 4.41Å; L158-F219 HydrophobicContact CG-CE1 4.31Å; L158-F219 HydrophobicContact CG-CZ 4.06Å; P215-F219 HydrophobicContact CB-CD1 4.11Å; P215-F219 HydrophobicContact CB-CE1 3.96Å; P215-F219 HydrophobicContact CB-CZ 4.49Å; P215-F219 WeakPolarHBondContact O-CD1 3.41Å; P215-F219 PolarHBondContact O-N 2.83Å; E216-F219 PolarHBondContact O-N 3.47Å; F219-R221 VanDerWaalsContact C-N 3.28Å; F219-R221 PolarHBondContact O-N 3.23Å; F219-V267 HydrophobicContact CE2-CG1 4.24Å; F219-F270 HydrophobicContact CD2-CB 3.79Å; F219-F270 HydrophobicContact CE2-CB 3.79Å; F219-F271 HydrophobicContact CB-CD1 4.19Å; F219-F271 HydrophobicContact CB-CE1 4.06Å; F219-F271 AromaticContact CD2-CD1 3.97Å; F219-F271 HydrophobicContact CD2-CD1 3.97Å; F219-F271 AromaticContact CD2-CD2 3.83Å; F219-F271 HydrophobicContact CD2-CD2 3.83Å; F219-F271 AromaticContact CD2-CE1 3.7Å; F219-F271 HydrophobicContact CD2-CE1 3.7Å; F219-F271 AromaticContact CD2-CE2 3.55Å; F219-F271 HydrophobicContact CD2-CE2 3.55Å; F219-F271 HydrophobicContact CD2-CG 4.03Å; F219-F271 AromaticContact CD2-CZ 3.48Å; F219-F271 HydrophobicContact CD2-CZ 3.48Å; F219-F271 VanDerWaalsContact CD2-CZ 3.48Å; F219-F271 HydrophobicContact CE2-CD2 4.11Å; F219-F271 HydrophobicContact CE2-CE1 4.45Å; F219-F271 AromaticContact CE2-CE2 3.59Å; F219-F271 HydrophobicContact CE2-CE2 3.59Å; F219-F271 AromaticContact CE2-CZ 3.79Å; F219-F271 HydrophobicContact CE2-CZ 3.79Å; F219-F271 HydrophobicContact CG-CE1 4.12Å; F219-F271 HydrophobicContact CG-CZ 4.2Å |
| 220 | Q | 80.8 | Confident | 76.1 | Confident | 126 Ų | 126 | 51.6 Ų | 51.6 | 59% | 0.589 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -8.7 | 175.8 | -75.7 | 172.1 | 9.3 | 0 | 0 | 114.5 | E216 Y218 V222 | E216-Q220 WeakPolarHBondContact O-CB 3.42Å; E216-Q220 WeakPolarHBondContact O-CG 3.46Å; E216-Q220 PolarHBondContact O-N 2.93Å; Y218-Q220 VanDerWaalsContact C-N 3.29Å; Y218-Q220 PolarHBondContact O-N 3.39Å; Q220-V222 PolarHBondContact O-N 2.73Å |
| 221 | R | 80.8 | Confident | 76.3 | Confident | 78 Ų | 78 | 51.4 Ų | 51.4 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29 | -177.3 | -67 | -176.1 | -176.7 | 177.9 | -3.8 | 113 | K195 L196 R198 S217 Y218 F219 | K195-R221 WeakPolarHBondContact O-CD 3.34Å; K195-R221 PolarHBondContact O-NH1 3.45Å; L196-R221 HydrophobicContact CD1-CB 4.45Å; L196-R221 PolarHBondContact O-NH1 2.92Å; R198-R221 PolarHBondContact O-NH1 3.41Å; R198-R221 PolarHBondContact O-NH2 3.44Å; S217-R221 WeakPolarHBondContact O-CG 3.32Å; Y218-R221 WeakPolarHBondContact O-CB 3.5Å; Y218-R221 WeakPolarHBondContact O-CG 3.43Å; Y218-R221 PolarHBondContact O-N 3.46Å; F219-R221 VanDerWaalsContact C-N 3.28Å; F219-R221 PolarHBondContact O-N 3.23Å |
| 222 | V | 78.2 | Confident | 76.3 | Confident | 22 Ų | 22 | 50 Ų | 50 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -124.1 | 111 | 171.1 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | I108 L196 Q220 | I108-V222 HydrophobicContact CB-CG1 4.48Å; I108-V222 HydrophobicContact CG1-CB 4.26Å; I108-V222 HydrophobicContact CG1-CG1 3.57Å; I108-V222 HydrophobicContact CG2-CG1 4.04Å; I108-V222 HydrophobicContact CG2-CG2 4.48Å; L196-V222 HydrophobicContact CD1-CG2 4.16Å; Q220-V222 PolarHBondContact O-N 2.73Å |
| 223 | P | 75.8 | Confident | 76.9 | Confident | 104 Ų | 104 | 46 Ų | 46 | 68% | 0.675 | 26% | 0.255 | S | S | * | . | trans | -73.3 | 145.9 | -175.7 | 29.3 | -33.9 | 0 | 0 | 0 | 111.9 | N112 | N112-P223 PolarHBondContact ND2-O 2.93Š| ||
| 224 | I | 79.1 | Confident | 77.2 | Confident | 17 Ų | 17 | 42 Ų | 42 | 9% | 0.087 | 24% | 0.241 | C | C | . | . | trans | -124.4 | 152.9 | 173.3 | -56.5 | 171.2 | 0 | 0 | 0 | 107.3 | I108 L115 L150 N226 F228 I229 F271 | I108-I224 HydrophobicContact CD1-CD1 3.68Å; I108-I224 HydrophobicContact CD1-CG1 3.87Å; L115-I224 HydrophobicContact CD1-CG2 4.23Å; L150-I224 HydrophobicContact CD1-CD1 3.34Å; I224-N226 PolarHBondContact O-N 2.78Å; I224-F228 HydrophobicContact CG2-CD1 4.03Å; I224-F228 HydrophobicContact CG2-CE1 4.37Å; I224-I229 HydrophobicContact CB-CD1 4.3Å; I224-F271 HydrophobicContact CD1-CD1 4.32Å; I224-F271 HydrophobicContact CD1-CE1 4.06Å | ||
| 225 | S | 79.3 | Confident | 77 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | trans | -53.7 | 127.3 | 178 | 177.1 | 0 | 0 | 0 | 0 | 112.7 | T227 F228 I229 | S225-T227 VanDerWaalsContact C-N 3.34Å; S225-T227 PolarHBondContact O-N 2.95Å; S225-F228 WeakPolarHBondContact O-CB 3.24Å; S225-F228 PolarHBondContact O-N 2.93Å; S225-I229 WeakPolarHBondContact O-CG1 3.39Å; S225-I229 PolarHBondContact O-N 2.8Å | ||
| 226 | N | 78 | Confident | 76.8 | Confident | 122 Ų | 122 | 44.8 Ų | 44.8 | 65% | 0.652 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -70.1 | -31.4 | 179.4 | -73.3 | -34.7 | 0 | 0 | 0 | 112.9 | I224 F228 I229 S230 | I224-N226 PolarHBondContact O-N 2.78Å; N226-F228 VanDerWaalsContact C-N 3.28Å; N226-F228 PolarHBondContact O-N 3.05Å; N226-I229 PolarHBondContact O-N 2.88Å; N226-S230 WeakPolarHBondContact O-CB 3.46Å; N226-S230 PolarHBondContact O-N 3.42Å; N226-S230 VanDerWaalsContact O-N 3.08Å; N226-S230 PolarHBondContact O-OG 3.17Å |
| 227 | T | 76.9 | Confident | 76.7 | Confident | 85 Ų | 85 | 45.5 Ų | 45.5 | 52% | 0.521 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 177.9 | -43 | 0 | 0 | 0 | 0 | 109.8 | S225 S230 M231 | S225-T227 VanDerWaalsContact C-N 3.34Å; S225-T227 PolarHBondContact O-N 2.95Å; T227-S230 PolarHBondContact O-N 2.95Å; T227-M231 HydrophobicContact CG2-CE 4.09Å; T227-M231 WeakPolarHBondContact O-CG 3.46Å; T227-M231 PolarHBondContact O-N 3.01Å; T227-M231 VanDerWaalsContact O-N 3.08Å |
| 228 | F | 73.4 | Confident | 76.5 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -54.7 | 176.2 | 177.4 | -99.1 | 0 | 0 | 0 | 112.7 | L115 L128 Q146 I224 S225 N226 S230 M231 V232 | L115-F228 HydrophobicContact CD1-CD1 4.18Å; L115-F228 HydrophobicContact CD1-CD2 3.99Å; L115-F228 HydrophobicContact CD1-CE1 4.09Å; L115-F228 HydrophobicContact CD1-CE2 3.76Å; L115-F228 HydrophobicContact CD1-CG 4.09Å; L115-F228 HydrophobicContact CD1-CZ 3.81Å; L115-F228 HydrophobicContact CD2-CD2 3.8Å; L115-F228 HydrophobicContact CD2-CE2 3.14Å; L115-F228 HydrophobicContact CD2-CZ 3.68Å; L115-F228 HydrophobicContact CG-CE2 4.08Å; L115-F228 HydrophobicContact CG-CZ 4.36Å; L128-F228 HydrophobicContact CD1-CD2 4.4Å; Q146-F228 HydrophobicContact CB-CE1 4.14Å; Q146-F228 HydrophobicContact CB-CE2 3.93Å; Q146-F228 HydrophobicContact CB-CZ 3.34Å; Q146-F228 HydrophobicContact CG-CE2 3.65Å; Q146-F228 HydrophobicContact CG-CZ 3.36Å; Q146-F228 VanDerWaalsContact NE2-CE2 3.34Å; I224-F228 HydrophobicContact CG2-CD1 4.03Å; I224-F228 HydrophobicContact CG2-CE1 4.37Å; S225-F228 WeakPolarHBondContact O-CB 3.24Å; S225-F228 PolarHBondContact O-N 2.93Å; N226-F228 VanDerWaalsContact C-N 3.28Å; N226-F228 PolarHBondContact O-N 3.05Å; F228-S230 PolarHBondContact O-N 3.23Å; F228-M231 PolarHBondContact O-N 3.4Å; F228-M231 VanDerWaalsContact O-N 3.12Å; F228-V232 HydrophobicContact CD1-CG2 4.08Å; F228-V232 HydrophobicContact CE1-CG2 4.07Å; F228-V232 HydrophobicContact CG-CG2 4.39Å; F228-V232 HydrophobicContact CZ-CG2 4.43Å; F228-V232 WeakPolarHBondContact O-CB 3.33Å; F228-V232 WeakPolarHBondContact O-CG2 3.16Å; F228-V232 PolarHBondContact O-N 3.04Å |
| 229 | I | 78.3 | Confident | 75.9 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.6 | -38.2 | 179 | -64.1 | 159.9 | 0 | 0 | 0 | 111.1 | L150 I224 S225 N226 V232 I233 F271 | L150-I229 HydrophobicContact CD2-CG1 4.36Å; I224-I229 HydrophobicContact CB-CD1 4.3Å; S225-I229 WeakPolarHBondContact O-CG1 3.39Å; S225-I229 PolarHBondContact O-N 2.8Å; N226-I229 PolarHBondContact O-N 2.88Å; I229-V232 WeakPolarHBondContact O-CB 3.44Å; I229-V232 PolarHBondContact O-N 3.38Å; I229-I233 HydrophobicContact CG2-CD1 3.85Å; I229-I233 WeakPolarHBondContact O-CG1 3.26Å; I229-I233 PolarHBondContact O-N 2.88Å; I229-F271 HydrophobicContact CD1-CB 3.96Å; I229-F271 HydrophobicContact CG1-CB 4.37Å; I229-F271 HydrophobicContact CG2-CB 4.14Å |
| 230 | S | 78.4 | Confident | 75.4 | Confident | 72 Ų | 72 | 51.3 Ų | 51.3 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 179.6 | -60.9 | 0 | 0 | 0 | 0 | 112.9 | N226 T227 F228 V232 G234 | N226-S230 WeakPolarHBondContact O-CB 3.46Å; N226-S230 PolarHBondContact O-N 3.42Å; N226-S230 VanDerWaalsContact O-N 3.08Å; N226-S230 PolarHBondContact O-OG 3.17Å; T227-S230 PolarHBondContact O-N 2.95Å; F228-S230 PolarHBondContact O-N 3.23Å; S230-V232 VanDerWaalsContact C-N 3.33Å; S230-G234 PolarHBondContact O-N 3.44Å |
| 231 | M | 73.1 | Confident | 74.5 | Confident | 66 Ų | 66 | 46 Ų | 46 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 174.4 | -72.1 | 175.1 | 173.4 | 0 | 0 | 111.3 | L128 T227 F228 G234 R235 | L128-M231 HydrophobicContact CD2-CE 4.31Å; L128-M231 HydrophobicContact CD2-SD 3.22Å; L128-M231 WeakPolarHBondContact CD2-SD 3.35Å; T227-M231 HydrophobicContact CG2-CE 4.09Å; T227-M231 WeakPolarHBondContact O-CG 3.46Å; T227-M231 PolarHBondContact O-N 3.01Å; T227-M231 VanDerWaalsContact O-N 3.08Å; F228-M231 PolarHBondContact O-N 3.4Å; F228-M231 VanDerWaalsContact O-N 3.12Å; M231-G234 PolarHBondContact O-N 2.85Å; M231-R235 WeakPolarHBondContact O-CG 3.46Å; M231-R235 PolarHBondContact O-N 2.94Å; M231-R235 VanDerWaalsContact O-N 3.12Å |
| 232 | V | 71.4 | Confident | 73.7 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.2 | -55.1 | 176.5 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | P143 Q146 C147 F228 I229 S230 G234 R235 L236 | P143-V232 HydrophobicContact CB-CB 4.09Å; P143-V232 HydrophobicContact CB-CG1 4.3Å; P143-V232 HydrophobicContact CB-CG2 3.66Å; P143-V232 VanDerWaalsContact CG-CA 3.44Å; P143-V232 HydrophobicContact CG-CB 4.33Å; P143-V232 HydrophobicContact CG-CG2 4.38Å; Q146-V232 HydrophobicContact CB-CG2 4.49Å; C147-V232 HydrophobicContact CB-CG1 4.29Å; C147-V232 WeakPolarHBondContact SG-CG1 3.42Å; F228-V232 HydrophobicContact CD1-CG2 4.08Å; F228-V232 HydrophobicContact CE1-CG2 4.07Å; F228-V232 HydrophobicContact CG-CG2 4.39Å; F228-V232 HydrophobicContact CZ-CG2 4.43Å; F228-V232 WeakPolarHBondContact O-CB 3.33Å; F228-V232 WeakPolarHBondContact O-CG2 3.16Å; F228-V232 PolarHBondContact O-N 3.04Å; I229-V232 WeakPolarHBondContact O-CB 3.44Å; I229-V232 PolarHBondContact O-N 3.38Å; S230-V232 VanDerWaalsContact C-N 3.33Å; V232-G234 VanDerWaalsContact C-N 3.33Å; V232-G234 PolarHBondContact O-N 3.46Å; V232-R235 PolarHBondContact O-N 3.42Å; V232-L236 PolarHBondContact O-N 3.14Å; V232-L236 VanDerWaalsContact O-N 3.12Å |
| 233 | I | 77.1 | Confident | 73.2 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.5 | -36.1 | 178.6 | -65.6 | 170.4 | 0 | 0 | 0 | 111.7 | I229 R235 R237 L265 C268 L269 I275 | I229-I233 HydrophobicContact CG2-CD1 3.85Å; I229-I233 WeakPolarHBondContact O-CG1 3.26Å; I229-I233 PolarHBondContact O-N 2.88Å; I233-R235 VanDerWaalsContact C-N 3.34Å; I233-R235 PolarHBondContact O-N 3.16Å; I233-R237 VanDerWaalsContact O-CG 3.29Å; I233-R237 WeakPolarHBondContact O-CG 3.45Å; I233-R237 PolarHBondContact O-N 2.91Å; I233-L265 HydrophobicContact CG2-CD1 4.19Å; I233-C268 HydrophobicContact CG1-CB 4.4Å; I233-L269 HydrophobicContact CD1-CD2 4.47Å; I233-I275 HydrophobicContact CD1-CD1 3.73Å; I233-I275 HydrophobicContact CG2-CD1 4.19Å |
| 234 | G | 76.1 | Confident | 72.9 | Confident | 31 Ų | 31 | 44.2 Ų | 44.2 | 32% | 0.32 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S230 M231 V232 R237 S238 | S230-G234 PolarHBondContact O-N 3.44Å; M231-G234 PolarHBondContact O-N 2.85Å; V232-G234 VanDerWaalsContact C-N 3.33Å; V232-G234 PolarHBondContact O-N 3.46Å; G234-R237 PolarHBondContact O-N 3.36Å; G234-S238 PolarHBondContact O-N 3.15Å; G234-S238 PolarHBondContact O-OG 3.36Å |
| 235 | R | 71.1 | Confident | 72.4 | Confident | 75 Ų | 75 | 46.4 Ų | 46.4 | 28% | 0.283 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -80.1 | -40.2 | -178.4 | -71.3 | -75 | -175.1 | 157.6 | 4.3 | 113.4 | P143 M231 V232 I233 R237 S238 D239 | P143-R235 HydrophobicContact CG-CB 3.38Å; P143-R235 HydrophobicContact CG-CG 3.77Å; M231-R235 WeakPolarHBondContact O-CG 3.46Å; M231-R235 PolarHBondContact O-N 2.94Å; M231-R235 VanDerWaalsContact O-N 3.12Å; V232-R235 PolarHBondContact O-N 3.42Å; I233-R235 VanDerWaalsContact C-N 3.34Å; I233-R235 PolarHBondContact O-N 3.16Å; R235-R237 PolarHBondContact O-N 3.32Å; R235-R237 VanDerWaalsContact O-N 3.09Å; R235-S238 WeakPolarHBondContact CA-OG 3.2Å; R235-S238 PolarHBondContact O-N 3.13Å; R235-S238 PolarHBondContact O-OG 3.44Å; R235-D239 IonicContact NH1-OD2 2.68Å; R235-D239 PolarHBondContact NH1-OD2 3.31Å; R235-D239 PolarHBondContact O-N 3.28Å |
| 236 | L | 71.6 | Confident | 71.9 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -52.6 | -32.3 | 168.6 | -80.8 | 174 | 0 | 0 | 0 | 111.7 | C147 V232 I241 L265 Y290 | C147-L236 WeakPolarHBondContact SG-CD1 3.2Å; C147-L236 WeakPolarHBondContact SG-CG 2.9Å; V232-L236 PolarHBondContact O-N 3.14Å; V232-L236 VanDerWaalsContact O-N 3.12Å; L236-I241 HydrophobicContact CD2-CD1 3.61Å; L236-I241 HydrophobicContact CG-CD1 4.4Å; L236-L265 HydrophobicContact CB-CD1 4.13Å; L236-L265 HydrophobicContact CD1-CB 4.14Å; L236-L265 HydrophobicContact CD1-CD1 3.9Å; L236-Y290 PolarHBondContact O-OH 2.83Å |
| 237 | R | 75.7 | Confident | 71.5 | Confident | 41 Ų | 41 | 43.4 Ų | 43.4 | 16% | 0.155 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -79 | -29.4 | 177.9 | -74.3 | 172.1 | 61.9 | -150.8 | 1.1 | 114.5 | I233 G234 R235 E285 I286 K289 | I233-R237 VanDerWaalsContact O-CG 3.29Å; I233-R237 WeakPolarHBondContact O-CG 3.45Å; I233-R237 PolarHBondContact O-N 2.91Å; G234-R237 PolarHBondContact O-N 3.36Å; R235-R237 PolarHBondContact O-N 3.32Å; R235-R237 VanDerWaalsContact O-N 3.09Å; R237-E285 IonicContact CZ-OE1 2.75Å; R237-E285 IonicContact CZ-OE2 2.76Å; R237-E285 IonicContact NE-OE1 2.83Å; R237-E285 PolarHBondContact NE-OE1 3.38Å; R237-E285 IonicContact NH2-OE1 2.82Å; R237-E285 PolarHBondContact NH2-OE1 2.95Å; R237-E285 IonicContact NH2-OE2 2.76Å; R237-E285 PolarHBondContact NH2-OE2 3.24Å; R237-I286 HydrophobicContact CG-CD1 4.38Å; R237-I286 HydrophobicContact CG-CG1 3.94Å; R237-K289 PolarHBondContact O-NZ 3.22Å |
| 238 | S | 71.8 | Confident | 71.4 | Confident | 76 Ų | 76 | 40.2 Ų | 40.2 | 53% | 0.531 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -98.5 | -43.6 | -169.1 | 29.2 | 0 | 0 | 0 | 0 | 113.2 | G234 R235 | G234-S238 PolarHBondContact O-N 3.15Å; G234-S238 PolarHBondContact O-OG 3.36Å; R235-S238 WeakPolarHBondContact CA-OG 3.2Å; R235-S238 PolarHBondContact O-N 3.13Å; R235-S238 PolarHBondContact O-OG 3.44Å |
| 239 | D | 67.7 | Low | 71.2 | Confident | 58 Ų | 58 | 44 Ų | 44 | 31% | 0.31 | 25% | 0.253 | S | S | . | . | trans | -103 | 151 | -169.6 | -63.8 | -30.4 | 0 | 0 | 0 | 112.5 | R235 | R235-D239 IonicContact NH1-OD2 2.68Å; R235-D239 PolarHBondContact NH1-OD2 3.31Å; R235-D239 PolarHBondContact O-N 3.28Å | ||
| 240 | D | 68.1 | Low | 71.1 | Confident | 44 Ų | 44 | 46.7 Ų | 46.7 | 24% | 0.235 | 27% | 0.267 | C | S | . | . | trans | -89.4 | 96 | 163.1 | 179.6 | 14.4 | 0 | 0 | 0 | 108.7 | Y242 N243 Q244 V245 Q261 | D240-Y242 VanDerWaalsContact C-N 3.33Å; D240-Y242 PolarHBondContact O-N 3.21Å; D240-Y242 PolarHBondContact OD1-N 3.18Å; D240-N243 PolarHBondContact OD1-N 3.25Å; D240-N243 WeakPolarHBondContact OD2-CA 3.48Å; D240-Q244 PolarHBondContact OD2-N 3.28Å; D240-V245 WeakPolarHBondContact OD2-CB 3.4Å; D240-V245 VanDerWaalsContact OD2-CG2 3.23Å; D240-V245 WeakPolarHBondContact OD2-CG2 3.48Å; D240-V245 PolarHBondContact OD2-N 2.95Å; D240-V245 VanDerWaalsContact OD2-N 3.13Å; D240-Q261 PolarHBondContact OD1-NE2 2.81Å | ||
| 241 | I | 62.1 | Low | 70.7 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.072 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -31.5 | -170.9 | -69.1 | 151.2 | 0 | 0 | 0 | 113.3 | P144 L236 | P144-I241 HydrophobicContact CB-CD1 4.15Å; P144-I241 HydrophobicContact CB-CG2 3.54Å; P144-I241 HydrophobicContact CG-CG2 3.38Å; L236-I241 HydrophobicContact CD2-CD1 3.61Å; L236-I241 HydrophobicContact CG-CD1 4.4Å |
| 242 | Y | 63.8 | Low | 70.6 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 19% | 0.188 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 4.4 | -173.6 | -66.2 | -69.8 | 0 | 0 | 0 | 113.2 | D240 Q244 Q261 M264 | D240-Y242 VanDerWaalsContact C-N 3.33Å; D240-Y242 PolarHBondContact O-N 3.21Å; D240-Y242 PolarHBondContact OD1-N 3.18Å; Y242-Q244 PolarHBondContact O-N 3.34Å; Y242-Q261 HydrophobicContact CD2-CG 3.85Å; Y242-Q261 HydrophobicContact CE2-CG 4.13Å; Y242-M264 HydrophobicContact CE2-CE 4.23Å; Y242-M264 HydrophobicContact CE2-SD 4.19Å; Y242-M264 VanDerWaalsContact OH-CE 3.28Å; Y242-M264 WeakPolarHBondContact OH-CE 3.45Å |
| 243 | N | 68.3 | Low | 70.9 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | trans | 50.2 | 27.5 | -175.8 | -67.4 | -33.2 | 0 | 0 | 0 | 113.6 | D240 V245 S246 | D240-N243 PolarHBondContact OD1-N 3.25Å; D240-N243 WeakPolarHBondContact OD2-CA 3.48Å; N243-V245 PolarHBondContact O-N 2.97Å; N243-S246 WeakPolarHBondContact O-CB 2.85Å; N243-S246 PolarHBondContact O-N 3.42Å; N243-S246 PolarHBondContact O-OG 2.99Å | ||
| 244 | Q | 69.3 | Low | 70.9 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -71.6 | -21.5 | -175.3 | -73.9 | -176.6 | -9.2 | 0 | 0 | 111.6 | D240 Y242 S246 A247 Y248 A257 I557 | D240-Q244 PolarHBondContact OD2-N 3.28Å; Y242-Q244 PolarHBondContact O-N 3.34Å; Q244-S246 PolarHBondContact O-N 3.46Å; Q244-A247 WeakPolarHBondContact O-CB 3.43Å; Q244-A247 PolarHBondContact O-N 2.91Å; Q244-A247 VanDerWaalsContact O-N 3.1Å; Q244-Y248 WeakPolarHBondContact O-CD2 3.44Å; Q244-A257 WeakPolarHBondContact CB-O 3.37Å; Q244-A257 PolarHBondContact OE1-O 3.4Å; Q244-I557 HydrophobicContact CG-CG2 4.35Å |
| 245 | V | 69.3 | Low | 70.8 | Confident | 63 Ų | 63 | 55 Ų | 55 | 38% | 0.382 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -62.5 | -28.9 | 175.2 | 177.4 | 0 | 0 | 0 | 0 | 111.8 | D240 N243 A247 Y248 L258 | D240-V245 WeakPolarHBondContact OD2-CB 3.4Å; D240-V245 VanDerWaalsContact OD2-CG2 3.23Å; D240-V245 WeakPolarHBondContact OD2-CG2 3.48Å; D240-V245 PolarHBondContact OD2-N 2.95Å; D240-V245 VanDerWaalsContact OD2-N 3.13Å; N243-V245 PolarHBondContact O-N 2.97Å; V245-A247 VanDerWaalsContact C-N 3.27Å; V245-A247 PolarHBondContact O-N 3.37Å; V245-Y248 CarbonylContact O-C 3.6Å; V245-Y248 PolarHBondContact O-N 2.75Å; V245-Y248 VanDerWaalsContact O-N 3.16Å; V245-L258 HydrophobicContact CG2-CD2 4.08Å |
| 246 | S | 69.6 | Low | 71.1 | Confident | 101 Ų | 101 | 52 Ų | 52 | 71% | 0.706 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -64.7 | -30.9 | 175.5 | 69.4 | 0 | 0 | 0 | 0 | 113.1 | N243 Q244 Y248 | N243-S246 WeakPolarHBondContact O-CB 2.85Å; N243-S246 PolarHBondContact O-N 3.42Å; N243-S246 PolarHBondContact O-OG 2.99Å; Q244-S246 PolarHBondContact O-N 3.46Å; S246-Y248 VanDerWaalsContact C-N 3.32Å |
| 247 | A | 68.5 | Low | 71.3 | Confident | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -77.6 | -18.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q244 V245 R374 T554 I557 | Q244-A247 WeakPolarHBondContact O-CB 3.43Å; Q244-A247 PolarHBondContact O-N 2.91Å; Q244-A247 VanDerWaalsContact O-N 3.1Å; V245-A247 VanDerWaalsContact C-N 3.27Å; V245-A247 PolarHBondContact O-N 3.37Å; A247-R374 VanDerWaalsContact O-CZ 3.3Å; A247-R374 PolarHBondContact O-NE 3.1Å; A247-R374 PolarHBondContact O-NH2 3Å; A247-T554 HydrophobicContact CB-CG2 4.25Å; A247-I557 HydrophobicContact CB-CB 4.49Å; A247-I557 HydrophobicContact CB-CD1 4.27Å; A247-I557 HydrophobicContact CB-CG2 4.1Å |
| 248 | Y | 74.8 | Confident | 71.4 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 7% | 0.071 | 28% | 0.277 | C | S | . | . | trans | -121.2 | 87.9 | -177.9 | -70.7 | -86.8 | 0 | 0 | 0 | 111.2 | Q244 V245 S246 L250 H253 A257 R374 V378 I557 V558 | Q244-Y248 WeakPolarHBondContact O-CD2 3.44Å; V245-Y248 CarbonylContact O-C 3.6Å; V245-Y248 PolarHBondContact O-N 2.75Å; V245-Y248 VanDerWaalsContact O-N 3.16Å; S246-Y248 VanDerWaalsContact C-N 3.32Å; Y248-L250 VanDerWaalsContact C-N 3.27Å; Y248-L250 PolarHBondContact O-N 3.18Å; Y248-H253 HydrophobicContact CD1-CB 3.68Å; Y248-H253 AromaticContact CD1-ND1 3.88Å; Y248-H253 HydrophobicContact CG-CB 4.22Å; Y248-A257 HydrophobicContact CD2-CB 3.6Å; Y248-A257 HydrophobicContact CE2-CB 4.26Å; Y248-A257 HydrophobicContact CG-CB 4Å; Y248-R374 HydrophobicContact CD1-CG 4.39Å; Y248-R374 HydrophobicContact CE1-CG 4.37Å; Y248-V378 HydrophobicContact CE1-CG2 4Å; Y248-I557 HydrophobicContact CE2-CG2 4.22Å; Y248-V558 HydrophobicContact CE1-CG2 4.17Å; Y248-V558 HydrophobicContact CE2-CG2 4.3Å | ||
| 249 | P | 70.3 | Confident | 71.7 | Confident | 82 Ų | 82 | 47.3 Ų | 47.3 | 53% | 0.532 | 26% | 0.258 | S | S | . | . | trans | -72.5 | -16.9 | -174.4 | 28.2 | -35.1 | 0 | 0 | 0 | 114.2 | ||||
| 250 | L | 75.3 | Confident | 72.2 | Confident | 63 Ų | 63 | 45.9 Ų | 45.9 | 33% | 0.33 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -84.7 | 127 | -179.4 | -70.8 | 169.6 | 0 | 0 | 0 | 110.5 | Y248 E252 H253 | Y248-L250 VanDerWaalsContact C-N 3.27Å; Y248-L250 PolarHBondContact O-N 3.18Å; L250-E252 PolarHBondContact O-N 2.98Å; L250-E252 VanDerWaalsContact O-N 3.11Å; L250-H253 PolarHBondContact O-N 3.11Å |
| 251 | P | 70.3 | Confident | 72.7 | Confident | 109 Ų | 109 | 43.9 Ų | 43.9 | 71% | 0.708 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -56.9 | -30 | 179.2 | -26.4 | 34.5 | 0 | 0 | 0 | 113.6 | H253 R254 | P251-H253 PolarHBondContact O-N 2.7Å; P251-R254 WeakPolarHBondContact O-CB 3.37Å; P251-R254 PolarHBondContact O-N 3.07Å |
| 252 | E | 70.9 | Confident | 73.6 | Confident | 103 Ų | 103 | 43.3 Ų | 43.3 | 48% | 0.481 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -71.4 | -15.8 | -178.9 | -47.1 | -175.9 | 116.3 | 0 | 0 | 112.9 | L250 R336 | L250-E252 PolarHBondContact O-N 2.98Å; L250-E252 VanDerWaalsContact O-N 3.11Å; E252-R336 IonicContact OE1-CZ 2.62Å; E252-R336 VanDerWaalsContact OE1-CZ 3.27Å; E252-R336 IonicContact OE1-NH1 2.76Å; E252-R336 PolarHBondContact OE1-NH1 3.38Å; E252-R336 IonicContact OE1-NH2 3.77Å; E252-R336 PolarHBondContact OE1-NH2 3.12Å; E252-R336 IonicContact OE2-CZ 2.64Å; E252-R336 IonicContact OE2-NH1 3.03Å; E252-R336 IonicContact OE2-NH2 3.32Å; E252-R336 PolarHBondContact OE2-NH2 3.27Å |
| 253 | H | 77.8 | Confident | 74.4 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 3% | 0.032 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -93.6 | 1.3 | 177.1 | -61.7 | 178.1 | 0 | 0 | 0 | 112.7 | Y248 L250 P251 S255 T256 A257 D375 V378 | Y248-H253 HydrophobicContact CD1-CB 3.68Å; Y248-H253 AromaticContact CD1-ND1 3.88Å; Y248-H253 HydrophobicContact CG-CB 4.22Å; L250-H253 PolarHBondContact O-N 3.11Å; P251-H253 PolarHBondContact O-N 2.7Å; H253-S255 VanDerWaalsContact C-N 3.31Å; H253-S255 PolarHBondContact O-N 3.21Å; H253-T256 WeakPolarHBondContact O-CB 3.25Å; H253-T256 PolarHBondContact O-N 2.84Å; H253-T256 VanDerWaalsContact O-N 3.08Å; H253-A257 PolarHBondContact O-N 3.46Å; H253-D375 IonicContact CE1-OD1 3.93Å; H253-D375 PolarHBondContact CE1-OD1 3.4Å; H253-D375 IonicContact NE2-OD1 3.25Å; H253-V378 HydrophobicContact CB-CG2 4.36Å |
| 254 | R | 76.9 | Confident | 75 | Confident | 126 Ų | 126 | 38 Ų | 38 | 48% | 0.475 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.4 | -41.2 | -175.2 | -178.2 | -177.1 | -176.3 | -172.2 | 4.3 | 112.9 | P251 T256 A257 L258 | P251-R254 WeakPolarHBondContact O-CB 3.37Å; P251-R254 PolarHBondContact O-N 3.07Å; R254-T256 VanDerWaalsContact C-N 3.28Å; R254-T256 PolarHBondContact O-N 3.17Å; R254-A257 PolarHBondContact O-N 3.39Å; R254-L258 HydrophobicContact CG-CD1 3.92Å; R254-L258 HydrophobicContact CG-CG 4.47Å; R254-L258 WeakPolarHBondContact O-CB 3.17Å; R254-L258 WeakPolarHBondContact O-CG 3.3Å; R254-L258 PolarHBondContact O-N 2.88Å |
| 255 | S | 74.2 | Confident | 75.7 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.3 | -37.6 | 177.9 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | H253 A259 D293 | H253-S255 VanDerWaalsContact C-N 3.31Å; H253-S255 PolarHBondContact O-N 3.21Å; S255-A259 PolarHBondContact O-N 2.77Å; S255-D293 VanDerWaalsContact CB-CG 3.47Å; S255-D293 WeakPolarHBondContact CB-OD1 3.43Å; S255-D293 VanDerWaalsContact CB-OD2 3.3Å; S255-D293 WeakPolarHBondContact CB-OD2 3.25Å; S255-D293 VanDerWaalsContact OG-CG 3.24Å; S255-D293 PolarHBondContact OG-OD1 3.28Å; S255-D293 PolarHBondContact OG-OD2 3.13Å |
| 256 | T | 76.4 | Confident | 76.4 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.5 | -42.1 | 176.7 | -60.3 | 0 | 0 | 0 | 0 | 111 | H253 R254 L258 A259 V378 | H253-T256 WeakPolarHBondContact O-CB 3.25Å; H253-T256 PolarHBondContact O-N 2.84Å; H253-T256 VanDerWaalsContact O-N 3.08Å; R254-T256 VanDerWaalsContact C-N 3.28Å; R254-T256 PolarHBondContact O-N 3.17Å; T256-L258 VanDerWaalsContact C-N 3.26Å; T256-L258 PolarHBondContact O-N 3.36Å; T256-A259 VanDerWaalsContact O-CB 3.32Å; T256-A259 WeakPolarHBondContact O-CB 3.44Å; T256-A259 PolarHBondContact O-N 2.9Å; T256-V378 HydrophobicContact CG2-CG2 4.08Å |
| 257 | A | 75.9 | Confident | 77.1 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.5 | -29.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q244 Y248 H253 R254 | Q244-A257 WeakPolarHBondContact CB-O 3.37Å; Q244-A257 PolarHBondContact OE1-O 3.4Å; Y248-A257 HydrophobicContact CD2-CB 3.6Å; Y248-A257 HydrophobicContact CE2-CB 4.26Å; Y248-A257 HydrophobicContact CG-CB 4Å; H253-A257 PolarHBondContact O-N 3.46Å; R254-A257 PolarHBondContact O-N 3.39Å |
| 258 | L | 78.8 | Confident | 77.8 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 7 | -179.9 | -63.2 | 178.8 | 0 | 0 | 0 | 113.5 | V245 R254 T256 N260 Q261 A262 Y290 | V245-L258 HydrophobicContact CG2-CD2 4.08Å; R254-L258 HydrophobicContact CG-CD1 3.92Å; R254-L258 HydrophobicContact CG-CG 4.47Å; R254-L258 WeakPolarHBondContact O-CB 3.17Å; R254-L258 WeakPolarHBondContact O-CG 3.3Å; R254-L258 PolarHBondContact O-N 2.88Å; T256-L258 VanDerWaalsContact C-N 3.26Å; T256-L258 PolarHBondContact O-N 3.36Å; L258-N260 VanDerWaalsContact C-N 3.34Å; L258-N260 PolarHBondContact O-N 2.95Å; L258-Q261 PolarHBondContact O-N 2.84Å; L258-A262 WeakPolarHBondContact O-CB 3.26Å; L258-A262 PolarHBondContact O-N 2.8Å; L258-Y290 HydrophobicContact CB-CD1 3.86Å; L258-Y290 HydrophobicContact CB-CE1 3.83Å; L258-Y290 HydrophobicContact CD1-CD1 4.36Å; L258-Y290 HydrophobicContact CD1-CE1 4.02Å; L258-Y290 HydrophobicContact CG-CE1 4.38Å |
| 259 | A | 77.3 | Confident | 78.2 | Confident | 15 Ų | 15 | 28.4 Ų | 28.4 | 12% | 0.124 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.2 | -35.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S255 T256 A262 A263 | S255-A259 PolarHBondContact O-N 2.77Å; T256-A259 VanDerWaalsContact O-CB 3.32Å; T256-A259 WeakPolarHBondContact O-CB 3.44Å; T256-A259 PolarHBondContact O-N 2.9Å; A259-A262 WeakPolarHBondContact O-CB 3.4Å; A259-A262 PolarHBondContact O-N 3.15Å; A259-A263 PolarHBondContact O-N 2.78Å |
| 260 | N | 78.4 | Confident | 78.8 | Confident | 29 Ų | 29 | 24.7 Ų | 24.7 | 16% | 0.155 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.3 | -41 | 177.5 | -70.7 | -4.5 | 0 | 0 | 0 | 111.5 | L258 A262 A263 M264 | L258-N260 VanDerWaalsContact C-N 3.34Å; L258-N260 PolarHBondContact O-N 2.95Å; N260-A262 VanDerWaalsContact C-N 3.32Å; N260-A263 PolarHBondContact O-N 2.82Å; N260-M264 WeakPolarHBondContact O-CG 3.19Å; N260-M264 PolarHBondContact O-N 3.2Å; N260-M264 VanDerWaalsContact O-N 3.15Å |
| 261 | Q | 78.8 | Confident | 79.1 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.8 | -37.6 | 173.9 | -66.5 | 173.2 | 11.7 | 0 | 0 | 111.3 | D240 Y242 L258 A263 M264 L265 Y290 | D240-Q261 PolarHBondContact OD1-NE2 2.81Å; Y242-Q261 HydrophobicContact CD2-CG 3.85Å; Y242-Q261 HydrophobicContact CE2-CG 4.13Å; L258-Q261 PolarHBondContact O-N 2.84Å; Q261-A263 VanDerWaalsContact C-N 3.34Å; Q261-A263 PolarHBondContact O-N 3.46Å; Q261-M264 PolarHBondContact O-N 3.04Å; Q261-L265 WeakPolarHBondContact O-CB 3.44Å; Q261-L265 PolarHBondContact O-N 3.41Å; Q261-Y290 HydrophobicContact CB-CE1 4.07Å |
| 262 | A | 80.7 | Confident | 79.7 | Confident | 3 Ų | 3 | 18.3 Ų | 18.3 | 3% | 0.025 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L258 A259 N260 L265 Y266 Y290 F291 | L258-A262 WeakPolarHBondContact O-CB 3.26Å; L258-A262 PolarHBondContact O-N 2.8Å; A259-A262 WeakPolarHBondContact O-CB 3.4Å; A259-A262 PolarHBondContact O-N 3.15Å; N260-A262 VanDerWaalsContact C-N 3.32Å; A262-L265 PolarHBondContact O-N 3.3Å; A262-Y266 PolarHBondContact O-N 2.96Å; A262-Y290 HydrophobicContact CB-CD1 3.83Å; A262-Y290 HydrophobicContact CB-CG 4.2Å; A262-F291 HydrophobicContact CB-CE1 3.69Å; A262-F291 HydrophobicContact CB-CZ 3.75Å |
| 263 | A | 80.7 | Confident | 80.1 | Confident | 4 Ų | 4 | 14.3 Ų | 14.3 | 3% | 0.033 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | A259 N260 Q261 Y266 V267 | A259-A263 PolarHBondContact O-N 2.78Å; N260-A263 PolarHBondContact O-N 2.82Å; Q261-A263 VanDerWaalsContact C-N 3.34Å; Q261-A263 PolarHBondContact O-N 3.46Å; A263-Y266 PolarHBondContact O-N 3.09Å; A263-V267 PolarHBondContact O-N 3.5Å |
| 264 | M | 81.4 | Confident | 80.3 | Confident | 17 Ų | 17 | 16.8 Ų | 16.8 | 8% | 0.084 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.2 | -45.7 | 174.9 | -69.9 | 171.1 | -179.3 | 0 | 0 | 111.8 | Y151 Y242 N260 Q261 Y266 V267 C268 | Y151-M264 HydrophobicContact CD1-CG 4.27Å; Y151-M264 HydrophobicContact CD2-CB 4.32Å; Y151-M264 HydrophobicContact CD2-CG 4.06Å; Y151-M264 HydrophobicContact CE2-CG 4.33Å; Y151-M264 HydrophobicContact CG-CG 4.02Å; Y242-M264 HydrophobicContact CE2-CE 4.23Å; Y242-M264 HydrophobicContact CE2-SD 4.19Å; Y242-M264 VanDerWaalsContact OH-CE 3.28Å; Y242-M264 WeakPolarHBondContact OH-CE 3.45Å; N260-M264 WeakPolarHBondContact O-CG 3.19Å; N260-M264 PolarHBondContact O-N 3.2Å; N260-M264 VanDerWaalsContact O-N 3.15Å; Q261-M264 PolarHBondContact O-N 3.04Å; M264-Y266 VanDerWaalsContact C-N 3.32Å; M264-Y266 PolarHBondContact O-N 3.38Å; M264-V267 PolarHBondContact O-N 2.9Å; M264-C268 WeakPolarHBondContact O-CB 3.28Å; M264-C268 PolarHBondContact O-N 3.47Å; M264-C268 PolarHBondContact O-SG 3.46Å |
| 265 | L | 83.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 178.4 | -177.7 | 62.1 | 0 | 0 | 0 | 111.5 | I233 L236 Q261 A262 V267 C268 L269 I286 Y290 | I233-L265 HydrophobicContact CG2-CD1 4.19Å; L236-L265 HydrophobicContact CB-CD1 4.13Å; L236-L265 HydrophobicContact CD1-CB 4.14Å; L236-L265 HydrophobicContact CD1-CD1 3.9Å; Q261-L265 WeakPolarHBondContact O-CB 3.44Å; Q261-L265 PolarHBondContact O-N 3.41Å; A262-L265 PolarHBondContact O-N 3.3Å; L265-V267 VanDerWaalsContact C-N 3.35Å; L265-V267 PolarHBondContact O-N 3.49Å; L265-C268 PolarHBondContact O-N 3.07Å; L265-L269 HydrophobicContact CD1-CG 4.31Å; L265-L269 HydrophobicContact CG-CD1 4.25Å; L265-L269 HydrophobicContact CG-CG 4.42Å; L265-L269 VanDerWaalsContact O-CG 3.23Å; L265-L269 WeakPolarHBondContact O-CG 3.47Å; L265-L269 PolarHBondContact O-N 3.02Å; L265-I286 HydrophobicContact CD2-CB 4.41Å; L265-I286 HydrophobicContact CD2-CD1 4.38Å; L265-I286 HydrophobicContact CD2-CG1 4.11Å; L265-I286 HydrophobicContact CD2-CG2 3.53Å; L265-I286 HydrophobicContact CG-CG2 4.47Å; L265-Y290 HydrophobicContact CD2-CD2 3.84Å; L265-Y290 HydrophobicContact CD2-CE2 3.94Å |
| 266 | Y | 85.4 | Confident | 80.7 | Confident | 15 Ų | 15 | 10.9 Ų | 10.9 | 6% | 0.059 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -54.6 | -47.7 | 176.4 | 167.6 | -94.6 | 0 | 0 | 0 | 112.4 | A262 A263 M264 F270 I297 I299 V305 L307 A310 W311 | A262-Y266 PolarHBondContact O-N 2.96Å; A263-Y266 PolarHBondContact O-N 3.09Å; M264-Y266 VanDerWaalsContact C-N 3.32Å; M264-Y266 PolarHBondContact O-N 3.38Å; Y266-F270 HydrophobicContact CD1-CE2 4.19Å; Y266-F270 HydrophobicContact CD2-CE2 4.38Å; Y266-F270 AromaticContact CE1-CE2 3.57Å; Y266-F270 HydrophobicContact CE1-CE2 3.57Å; Y266-F270 HydrophobicContact CE1-CZ 4.28Å; Y266-F270 AromaticContact CE2-CE2 3.81Å; Y266-F270 HydrophobicContact CE2-CE2 3.81Å; Y266-F270 AromaticContact CE2-CZ 3.78Å; Y266-F270 HydrophobicContact CE2-CZ 3.78Å; Y266-F270 AromaticContact CZ-CE2 3.35Å; Y266-F270 AromaticContact CZ-CZ 3.58Å; Y266-F270 WeakPolarHBondContact O-CD2 3.44Å; Y266-F270 WeakPolarHBondContact OH-CE2 3.41Å; Y266-F270 WeakPolarHBondContact OH-CZ 3.49Å; Y266-I297 HydrophobicContact CD1-CD1 3.78Å; Y266-I297 HydrophobicContact CD2-CD1 3.93Å; Y266-I297 HydrophobicContact CE1-CD1 4.41Å; Y266-I297 HydrophobicContact CG-CD1 3.51Å; Y266-I299 HydrophobicContact CD1-CD1 3.44Å; Y266-I299 VanDerWaalsContact CD1-CD1 3.44Å; Y266-I299 HydrophobicContact CD1-CG1 4.23Å; Y266-I299 HydrophobicContact CE1-CD1 3.25Å; Y266-I299 HydrophobicContact CE1-CG1 4.43Å; Y266-V305 HydrophobicContact CE1-CG1 4.14Å; Y266-V305 HydrophobicContact CE2-CG1 4.24Å; Y266-V305 WeakPolarHBondContact OH-CG1 3.22Å; Y266-L307 HydrophobicContact CD2-CD2 3.46Å; Y266-L307 VanDerWaalsContact CD2-CD2 3.46Å; Y266-L307 HydrophobicContact CE2-CD2 3.66Å; Y266-L307 HydrophobicContact CG-CD2 4.42Å; Y266-A310 HydrophobicContact CE2-CB 3.81Å; Y266-A310 VanDerWaalsContact OH-CB 3.24Å; Y266-A310 WeakPolarHBondContact OH-CB 3.45Å; Y266-W311 HydrophobicContact CD2-CZ2 4.09Å; Y266-W311 AromaticContact CD2-NE1 3.76Å; Y266-W311 AromaticContact CE2-NE1 3.69Å |
| 267 | V | 83.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -69.9 | -42.1 | 179.1 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | Y151 F219 A263 M264 L265 L269 F270 I299 | Y151-V267 HydrophobicContact CD2-CB 3.8Å; Y151-V267 HydrophobicContact CD2-CG1 4.3Å; Y151-V267 HydrophobicContact CD2-CG2 3.66Å; Y151-V267 HydrophobicContact CE2-CB 4.37Å; Y151-V267 HydrophobicContact CE2-CG2 3.71Å; F219-V267 HydrophobicContact CE2-CG1 4.24Å; A263-V267 PolarHBondContact O-N 3.5Å; M264-V267 PolarHBondContact O-N 2.9Å; L265-V267 VanDerWaalsContact C-N 3.35Å; L265-V267 PolarHBondContact O-N 3.49Å; V267-L269 VanDerWaalsContact C-N 3.25Å; V267-L269 PolarHBondContact O-N 3.14Å; V267-F270 PolarHBondContact O-N 3.48Å; V267-I299 HydrophobicContact CG2-CD1 4.34Å; V267-I299 HydrophobicContact CG2-CG2 4.18Å |
| 268 | C | 83.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.3 | -31.8 | -179.3 | -67.8 | 0 | 0 | 0 | 0 | 112.7 | I233 M264 L265 F270 F271 | I233-C268 HydrophobicContact CG1-CB 4.4Å; M264-C268 WeakPolarHBondContact O-CB 3.28Å; M264-C268 PolarHBondContact O-N 3.47Å; M264-C268 PolarHBondContact O-SG 3.46Å; L265-C268 PolarHBondContact O-N 3.07Å; C268-F270 PolarHBondContact O-N 3.36Å; C268-F271 PolarHBondContact O-N 2.91Å; C268-F271 VanDerWaalsContact O-N 3.15Å |
| 269 | L | 83.4 | Confident | 81.7 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.2 | -27 | 178.3 | -75.4 | 168.1 | 0 | 0 | 0 | 113.3 | I233 L265 V267 F271 S272 I275 L276 M283 I286 W311 | I233-L269 HydrophobicContact CD1-CD2 4.47Å; L265-L269 HydrophobicContact CD1-CG 4.31Å; L265-L269 HydrophobicContact CG-CD1 4.25Å; L265-L269 HydrophobicContact CG-CG 4.42Å; L265-L269 VanDerWaalsContact O-CG 3.23Å; L265-L269 WeakPolarHBondContact O-CG 3.47Å; L265-L269 PolarHBondContact O-N 3.02Å; V267-L269 VanDerWaalsContact C-N 3.25Å; V267-L269 PolarHBondContact O-N 3.14Å; L269-F271 VanDerWaalsContact C-N 3.29Å; L269-F271 PolarHBondContact O-N 3.17Å; L269-S272 CarbonylContact O-C 3.34Å; L269-S272 VanDerWaalsContact O-C 3.3Å; L269-S272 PolarHBondContact O-N 3.25Å; L269-I275 HydrophobicContact CD2-CB 4.37Å; L269-I275 HydrophobicContact CD2-CD1 4.48Å; L269-I275 HydrophobicContact CD2-CG2 3.91Å; L269-L276 HydrophobicContact CB-CD1 4.28Å; L269-L276 HydrophobicContact CB-CD2 4.15Å; L269-L276 HydrophobicContact CB-CG 4.27Å; L269-L276 HydrophobicContact CD1-CD2 4.26Å; L269-M283 HydrophobicContact CD1-CE 4.42Å; L269-M283 HydrophobicContact CD1-SD 4.37Å; L269-M283 HydrophobicContact CD2-SD 4.36Å; L269-I286 HydrophobicContact CD2-CD1 4.23Å; L269-W311 HydrophobicContact CD1-CZ2 4.38Å |
| 270 | F | 82.7 | Confident | 82 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.013 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.6 | 177.1 | -66.3 | -61.9 | 0 | 0 | 0 | 113.8 | P215 F219 Y266 V267 C268 S272 L276 Y314 | P215-F270 HydrophobicContact CG-CB 4.16Å; P215-F270 HydrophobicContact CG-CD1 3.66Å; P215-F270 HydrophobicContact CG-CD2 4.06Å; P215-F270 HydrophobicContact CG-CE1 4.03Å; P215-F270 HydrophobicContact CG-CE2 4.38Å; P215-F270 HydrophobicContact CG-CG 3.69Å; P215-F270 HydrophobicContact CG-CZ 4.38Å; F219-F270 HydrophobicContact CD2-CB 3.79Å; F219-F270 HydrophobicContact CE2-CB 3.79Å; Y266-F270 HydrophobicContact CD1-CE2 4.19Å; Y266-F270 HydrophobicContact CD2-CE2 4.38Å; Y266-F270 AromaticContact CE1-CE2 3.57Å; Y266-F270 HydrophobicContact CE1-CE2 3.57Å; Y266-F270 HydrophobicContact CE1-CZ 4.28Å; Y266-F270 AromaticContact CE2-CE2 3.81Å; Y266-F270 HydrophobicContact CE2-CE2 3.81Å; Y266-F270 AromaticContact CE2-CZ 3.78Å; Y266-F270 HydrophobicContact CE2-CZ 3.78Å; Y266-F270 AromaticContact CZ-CE2 3.35Å; Y266-F270 AromaticContact CZ-CZ 3.58Å; Y266-F270 WeakPolarHBondContact O-CD2 3.44Å; Y266-F270 WeakPolarHBondContact OH-CE2 3.41Å; Y266-F270 WeakPolarHBondContact OH-CZ 3.49Å; V267-F270 PolarHBondContact O-N 3.48Å; C268-F270 PolarHBondContact O-N 3.36Å; F270-S272 VanDerWaalsContact C-N 3.25Å; F270-S272 PolarHBondContact O-N 3.21Å; F270-L276 HydrophobicContact CD1-CD1 4.02Å; F270-L276 HydrophobicContact CE1-CD1 4.2Å; F270-Y314 WeakPolarHBondContact CD1-OH 3.36Å; F270-Y314 AromaticContact CE1-CE2 3.93Å; F270-Y314 HydrophobicContact CE1-CE2 3.93Å; F270-Y314 WeakPolarHBondContact CE1-OH 3.47Å |
| 271 | F | 81.6 | Confident | 82.2 | Confident | 22 Ų | 22 | 28.3 Ų | 28.3 | 10% | 0.096 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -16.5 | 171.8 | -68.3 | -83 | 0 | 0 | 0 | 112.5 | L150 Y153 F219 I224 I229 C268 L269 | L150-F271 HydrophobicContact CD1-CD1 3.88Å; L150-F271 HydrophobicContact CD1-CD2 3.81Å; L150-F271 HydrophobicContact CD1-CE1 3.7Å; L150-F271 HydrophobicContact CD1-CE2 3.62Å; L150-F271 HydrophobicContact CD1-CG 3.93Å; L150-F271 HydrophobicContact CD1-CZ 3.56Å; L150-F271 HydrophobicContact CD2-CD2 3.98Å; L150-F271 HydrophobicContact CD2-CE2 4.36Å; L150-F271 HydrophobicContact CD2-CG 4.34Å; L150-F271 HydrophobicContact CG-CD2 3.73Å; L150-F271 HydrophobicContact CG-CE2 3.6Å; L150-F271 HydrophobicContact CG-CG 4.28Å; L150-F271 HydrophobicContact CG-CZ 4.06Å; Y153-F271 HydrophobicContact CD1-CE1 4.06Å; Y153-F271 AromaticContact CD1-CZ 3.87Å; Y153-F271 HydrophobicContact CD1-CZ 3.87Å; Y153-F271 HydrophobicContact CE1-CE1 4.28Å; Y153-F271 HydrophobicContact CE1-CZ 4.47Å; F219-F271 HydrophobicContact CB-CD1 4.19Å; F219-F271 HydrophobicContact CB-CE1 4.06Å; F219-F271 AromaticContact CD2-CD1 3.97Å; F219-F271 HydrophobicContact CD2-CD1 3.97Å; F219-F271 AromaticContact CD2-CD2 3.83Å; F219-F271 HydrophobicContact CD2-CD2 3.83Å; F219-F271 AromaticContact CD2-CE1 3.7Å; F219-F271 HydrophobicContact CD2-CE1 3.7Å; F219-F271 AromaticContact CD2-CE2 3.55Å; F219-F271 HydrophobicContact CD2-CE2 3.55Å; F219-F271 HydrophobicContact CD2-CG 4.03Å; F219-F271 AromaticContact CD2-CZ 3.48Å; F219-F271 HydrophobicContact CD2-CZ 3.48Å; F219-F271 VanDerWaalsContact CD2-CZ 3.48Å; F219-F271 HydrophobicContact CE2-CD2 4.11Å; F219-F271 HydrophobicContact CE2-CE1 4.45Å; F219-F271 AromaticContact CE2-CE2 3.59Å; F219-F271 HydrophobicContact CE2-CE2 3.59Å; F219-F271 AromaticContact CE2-CZ 3.79Å; F219-F271 HydrophobicContact CE2-CZ 3.79Å; F219-F271 HydrophobicContact CG-CE1 4.12Å; F219-F271 HydrophobicContact CG-CZ 4.2Å; I224-F271 HydrophobicContact CD1-CD1 4.32Å; I224-F271 HydrophobicContact CD1-CE1 4.06Å; I229-F271 HydrophobicContact CD1-CB 3.96Å; I229-F271 HydrophobicContact CG1-CB 4.37Å; I229-F271 HydrophobicContact CG2-CB 4.14Å; C268-F271 PolarHBondContact O-N 2.91Å; C268-F271 VanDerWaalsContact O-N 3.15Å; L269-F271 VanDerWaalsContact C-N 3.29Å; L269-F271 PolarHBondContact O-N 3.17Å |
| 272 | S | 81.5 | Confident | 82.3 | Confident | 17 Ų | 17 | 32.2 Ų | 32.2 | 12% | 0.119 | 18% | 0.18 | C | C | . | . | trans | -129.8 | 73.7 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | L269 F270 S274 I275 | L269-S272 CarbonylContact O-C 3.34Å; L269-S272 VanDerWaalsContact O-C 3.3Å; L269-S272 PolarHBondContact O-N 3.25Å; F270-S272 VanDerWaalsContact C-N 3.25Å; F270-S272 PolarHBondContact O-N 3.21Å; S272-S274 PolarHBondContact O-N 3.06Å; S272-S274 PolarHBondContact OG-OG 3.43Å; S272-I275 PolarHBondContact O-N 3.3Å; S272-I275 VanDerWaalsContact O-N 3.08Å | ||
| 273 | P | 80.2 | Confident | 82.5 | Confident | 19 Ų | 19 | 32 Ų | 32 | 12% | 0.123 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.9 | -22.6 | -175.7 | -22.9 | 32.9 | 0 | 0 | 0 | 114.9 | E216 I275 L276 H277 | E216-P273 HydrophobicContact CB-CG 3.98Å; E216-P273 HydrophobicContact CG-CB 4.11Å; E216-P273 HydrophobicContact CG-CG 3.78Å; E216-P273 WeakPolarHBondContact OE2-CB 3.44Å; E216-P273 WeakPolarHBondContact OE2-CG 3.41Å; P273-I275 PolarHBondContact O-N 3.48Å; P273-L276 PolarHBondContact O-N 3.07Å; P273-L276 VanDerWaalsContact O-N 3.12Å; P273-H277 PolarHBondContact O-N 3.45Å; P273-H277 VanDerWaalsContact O-N 3.11Å |
| 274 | S | 81.8 | Confident | 82.6 | Confident | 58 Ų | 58 | 37.4 Ų | 37.4 | 41% | 0.406 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -54.1 | -37.2 | 175.3 | 61.9 | 0 | 0 | 0 | 0 | 112.1 | S272 T278 | S272-S274 PolarHBondContact O-N 3.06Å; S272-S274 PolarHBondContact OG-OG 3.43Å; S274-T278 PolarHBondContact O-N 3.06Å; S274-T278 PolarHBondContact O-OG1 3.11Å |
| 275 | I | 80.5 | Confident | 82.8 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.046 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.1 | -44.6 | 179.6 | -60.2 | 174.4 | 0 | 0 | 0 | 110.2 | I233 L269 S272 P273 H277 Q279 M283 | I233-I275 HydrophobicContact CD1-CD1 3.73Å; I233-I275 HydrophobicContact CG2-CD1 4.19Å; L269-I275 HydrophobicContact CD2-CB 4.37Å; L269-I275 HydrophobicContact CD2-CD1 4.48Å; L269-I275 HydrophobicContact CD2-CG2 3.91Å; S272-I275 PolarHBondContact O-N 3.3Å; S272-I275 VanDerWaalsContact O-N 3.08Å; P273-I275 PolarHBondContact O-N 3.48Å; I275-H277 PolarHBondContact O-N 3.18Å; I275-Q279 HydrophobicContact CG2-CB 4.43Å; I275-Q279 PolarHBondContact O-N 2.96Å; I275-M283 HydrophobicContact CG2-CG 4.26Å; I275-M283 HydrophobicContact CG2-SD 3.91Å |
| 276 | L | 80.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.7 | -32.2 | -177.8 | -67.3 | 170.3 | 0 | 0 | 0 | 113.2 | L269 F270 P273 M283 Y314 A316 A317 | L269-L276 HydrophobicContact CB-CD1 4.28Å; L269-L276 HydrophobicContact CB-CD2 4.15Å; L269-L276 HydrophobicContact CB-CG 4.27Å; L269-L276 HydrophobicContact CD1-CD2 4.26Å; F270-L276 HydrophobicContact CD1-CD1 4.02Å; F270-L276 HydrophobicContact CE1-CD1 4.2Å; P273-L276 PolarHBondContact O-N 3.07Å; P273-L276 VanDerWaalsContact O-N 3.12Å; L276-M283 HydrophobicContact CD2-CE 4.02Å; L276-M283 HydrophobicContact CD2-SD 3.99Å; L276-Y314 HydrophobicContact CB-CD1 3.33Å; L276-Y314 HydrophobicContact CB-CE1 3.87Å; L276-Y314 HydrophobicContact CB-CG 3.76Å; L276-Y314 HydrophobicContact CD1-CD1 3.94Å; L276-Y314 HydrophobicContact CD1-CD2 4.47Å; L276-Y314 HydrophobicContact CD1-CE1 3.67Å; L276-Y314 HydrophobicContact CD1-CE2 4.25Å; L276-Y314 HydrophobicContact CD1-CG 4.3Å; L276-Y314 HydrophobicContact CG-CD1 4.23Å; L276-Y314 HydrophobicContact CG-CE1 4.42Å; L276-A316 VanDerWaalsContact O-CB 3.28Å; L276-A316 WeakPolarHBondContact O-CB 3.33Å; L276-A316 PolarHBondContact O-N 3.21Å; L276-A317 HydrophobicContact CD2-CB 4.01Å; L276-A317 PolarHBondContact O-N 3.1Å |
| 277 | H | 83.9 | Confident | 82.7 | Confident | 73 Ų | 73 | 40.2 Ų | 40.2 | 34% | 0.338 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -90.3 | -42.4 | 179.6 | -80.8 | -69.6 | 0 | 0 | 0 | 114.5 | E216 P273 I275 P313 Y314 | E216-H277 IonicContact OE1-NE2 3.83Å; P273-H277 PolarHBondContact O-N 3.45Å; P273-H277 VanDerWaalsContact O-N 3.11Å; I275-H277 PolarHBondContact O-N 3.18Å; H277-P313 PolarHBondContact CE1-O 3.44Å; H277-Y314 AromaticContact CD2-CD1 3.57Å; H277-Y314 AromaticContact CD2-CE1 3.94Å; H277-Y314 AromaticContact CE1-CD1 3.7Å; H277-Y314 AromaticContact NE2-CD1 3.28Å; H277-Y314 VanDerWaalsContact NE2-CD1 3.28Å; H277-Y314 WeakPolarHBondContact NE2-CD1 3.37Å; H277-Y314 AromaticContact NE2-CE1 3.56Å |
| 278 | T | 83.6 | Confident | 82.7 | Confident | 100 Ų | 100 | 44.7 Ų | 44.7 | 61% | 0.613 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -112.8 | -28.3 | -164.3 | 65.3 | 0 | 0 | 0 | 0 | 114.5 | S274 Q280 | S274-T278 PolarHBondContact O-N 3.06Å; S274-T278 PolarHBondContact O-OG1 3.11Å; T278-Q280 PolarHBondContact O-N 2.59Å |
| 279 | Q | 83.9 | Confident | 82.6 | Confident | 60 Ų | 60 | 46.4 Ų | 46.4 | 28% | 0.28 | 24% | 0.244 | S | C | . | . | trans | -97.8 | 74 | -168.7 | -58.3 | -176.2 | 6.9 | 0 | 0 | 112.7 | I275 A281 K282 M283 | I275-Q279 HydrophobicContact CG2-CB 4.43Å; I275-Q279 PolarHBondContact O-N 2.96Å; Q279-A281 PolarHBondContact O-N 3.46Å; Q279-K282 HydrophobicContact CB-CB 4.4Å; Q279-K282 PolarHBondContact O-N 3.37Å; Q279-K282 VanDerWaalsContact OE1-CE 3.24Å; Q279-M283 PolarHBondContact O-N 3.2Å; Q279-M283 VanDerWaalsContact O-N 3.14Å | ||
| 280 | Q | 82.9 | Confident | 82.4 | Confident | 112 Ų | 112 | 46.5 Ų | 46.5 | 52% | 0.523 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.6 | -42.3 | -177.4 | -69 | -175.8 | -6.6 | 0 | 0 | 114.5 | T278 M283 R284 A316 | T278-Q280 PolarHBondContact O-N 2.59Å; Q280-M283 PolarHBondContact O-N 3.06Å; Q280-R284 PolarHBondContact O-N 3.37Å; Q280-A316 HydrophobicContact CB-CB 4.46Å; Q280-A316 HydrophobicContact CG-CB 3.74Å |
| 281 | A | 82.8 | Confident | 82.4 | Confident | 80 Ų | 80 | 46.5 Ų | 46.5 | 66% | 0.661 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.4 | -44.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q279 R284 E285 | Q279-A281 PolarHBondContact O-N 3.46Å; A281-R284 PolarHBondContact O-N 2.97Å; A281-E285 PolarHBondContact O-N 3.18Å |
| 282 | K | 81.9 | Confident | 82.1 | Confident | 83 Ų | 83 | 48 Ų | 48 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 177.2 | -65.1 | -169.7 | -167.7 | 165.9 | 0 | 111.7 | Q279 E285 I286 | Q279-K282 HydrophobicContact CB-CB 4.4Å; Q279-K282 PolarHBondContact O-N 3.37Å; Q279-K282 VanDerWaalsContact OE1-CE 3.24Å; K282-E285 PolarHBondContact O-N 3.46Å; K282-I286 VanDerWaalsContact O-CG1 3.26Å; K282-I286 WeakPolarHBondContact O-CG1 3.46Å; K282-I286 PolarHBondContact O-N 2.71Å; K282-I286 VanDerWaalsContact O-N 3.08Å |
| 283 | M | 84 | Confident | 81.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -36.6 | 177.3 | -76.4 | -54.4 | -54 | 0 | 0 | 112.7 | L269 I275 L276 Q279 Q280 I286 V287 W311 A316 A317 A320 | L269-M283 HydrophobicContact CD1-CE 4.42Å; L269-M283 HydrophobicContact CD1-SD 4.37Å; L269-M283 HydrophobicContact CD2-SD 4.36Å; I275-M283 HydrophobicContact CG2-CG 4.26Å; I275-M283 HydrophobicContact CG2-SD 3.91Å; L276-M283 HydrophobicContact CD2-CE 4.02Å; L276-M283 HydrophobicContact CD2-SD 3.99Å; Q279-M283 PolarHBondContact O-N 3.2Å; Q279-M283 VanDerWaalsContact O-N 3.14Å; Q280-M283 PolarHBondContact O-N 3.06Å; M283-I286 PolarHBondContact O-N 3.44Å; M283-I286 HydrophobicContact SD-CD1 4.12Å; M283-V287 WeakPolarHBondContact O-CG2 3.5Å; M283-V287 PolarHBondContact O-N 3.03Å; M283-W311 HydrophobicContact CE-CH2 4.21Å; M283-W311 HydrophobicContact CE-CZ2 4.34Å; M283-W311 HydrophobicContact CE-CZ3 4.41Å; M283-A316 HydrophobicContact CG-CB 4.31Å; M283-A317 HydrophobicContact CE-CB 3.75Å; M283-A320 HydrophobicContact CB-CB 4.32Å |
| 284 | R | 83.9 | Confident | 81.8 | Confident | 116 Ų | 116 | 47.4 Ų | 47.4 | 44% | 0.438 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.1 | -49.3 | 174.5 | -175.9 | 178.8 | -68.3 | 162.3 | -2.5 | 111.5 | Q280 A281 I286 V287 D288 | Q280-R284 PolarHBondContact O-N 3.37Å; A281-R284 PolarHBondContact O-N 2.97Å; R284-I286 VanDerWaalsContact C-N 3.29Å; R284-I286 PolarHBondContact O-N 3.24Å; R284-V287 PolarHBondContact O-N 3.01Å; R284-D288 WeakPolarHBondContact CG-OD2 3.31Å; R284-D288 WeakPolarHBondContact O-CB 3.33Å; R284-D288 VanDerWaalsContact O-CG 3.25Å; R284-D288 PolarHBondContact O-N 2.9Å |
| 285 | E | 84 | Confident | 81.9 | Confident | 89 Ų | 89 | 44.6 Ų | 44.6 | 42% | 0.416 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59 | -39.8 | 177.4 | -171.5 | -165.9 | 117 | 0 | 0 | 112.5 | R237 A281 K282 K289 | R237-E285 IonicContact CZ-OE1 2.75Å; R237-E285 IonicContact CZ-OE2 2.76Å; R237-E285 IonicContact NE-OE1 2.83Å; R237-E285 PolarHBondContact NE-OE1 3.38Å; R237-E285 IonicContact NH2-OE1 2.82Å; R237-E285 PolarHBondContact NH2-OE1 2.95Å; R237-E285 IonicContact NH2-OE2 2.76Å; R237-E285 PolarHBondContact NH2-OE2 3.24Å; A281-E285 PolarHBondContact O-N 3.18Å; K282-E285 PolarHBondContact O-N 3.46Å; E285-K289 VanDerWaalsContact O-CB 3.26Å; E285-K289 WeakPolarHBondContact O-CB 3.33Å; E285-K289 PolarHBondContact O-N 3.18Å |
| 286 | I | 83.8 | Confident | 82 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -48.4 | 175.7 | -70.6 | 167.1 | 0 | 0 | 0 | 111 | R237 L265 L269 K282 M283 R284 K289 Y290 F291 | R237-I286 HydrophobicContact CG-CD1 4.38Å; R237-I286 HydrophobicContact CG-CG1 3.94Å; L265-I286 HydrophobicContact CD2-CB 4.41Å; L265-I286 HydrophobicContact CD2-CD1 4.38Å; L265-I286 HydrophobicContact CD2-CG1 4.11Å; L265-I286 HydrophobicContact CD2-CG2 3.53Å; L265-I286 HydrophobicContact CG-CG2 4.47Å; L269-I286 HydrophobicContact CD2-CD1 4.23Å; K282-I286 VanDerWaalsContact O-CG1 3.26Å; K282-I286 WeakPolarHBondContact O-CG1 3.46Å; K282-I286 PolarHBondContact O-N 2.71Å; K282-I286 VanDerWaalsContact O-N 3.08Å; M283-I286 PolarHBondContact O-N 3.44Å; M283-I286 HydrophobicContact SD-CD1 4.12Å; R284-I286 VanDerWaalsContact C-N 3.29Å; R284-I286 PolarHBondContact O-N 3.24Å; I286-K289 PolarHBondContact O-N 3.46Å; I286-Y290 HydrophobicContact CG2-CD2 4.4Å; I286-Y290 WeakPolarHBondContact O-CB 3.35Å; I286-Y290 WeakPolarHBondContact O-CD2 3.14Å; I286-Y290 PolarHBondContact O-N 3.19Å; I286-F291 HydrophobicContact CG2-CE2 4.26Å |
| 287 | V | 83.2 | Confident | 82.1 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.5 | -44.1 | -179.1 | 172.6 | 0 | 0 | 0 | 0 | 111 | M283 R284 K289 F291 W311 A320 T324 | M283-V287 WeakPolarHBondContact O-CG2 3.5Å; M283-V287 PolarHBondContact O-N 3.03Å; R284-V287 PolarHBondContact O-N 3.01Å; V287-K289 VanDerWaalsContact C-N 3.3Å; V287-K289 PolarHBondContact O-N 3.46Å; V287-F291 HydrophobicContact CG1-CB 4.3Å; V287-F291 CarbonylContact O-C 3.3Å; V287-F291 VanDerWaalsContact O-CA 3.25Å; V287-F291 WeakPolarHBondContact O-CA 3.3Å; V287-F291 PolarHBondContact O-N 3.24Å; V287-W311 HydrophobicContact CG2-CH2 4.32Å; V287-W311 HydrophobicContact CG2-CZ3 3.86Å; V287-A320 HydrophobicContact CB-CB 4.18Å; V287-A320 HydrophobicContact CG2-CB 3.78Å; V287-T324 VanDerWaalsContact CG1-OG1 3.3Å; V287-T324 WeakPolarHBondContact CG1-OG1 3.22Å |
| 288 | D | 82.8 | Confident | 82.1 | Confident | 94 Ų | 94 | 42 Ų | 42 | 50% | 0.503 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.5 | -33.4 | 179.6 | -65.4 | -16.9 | 0 | 0 | 0 | 112.2 | R284 | R284-D288 WeakPolarHBondContact CG-OD2 3.31Å; R284-D288 WeakPolarHBondContact O-CB 3.33Å; R284-D288 VanDerWaalsContact O-CG 3.25Å; R284-D288 PolarHBondContact O-N 2.9Å |
| 289 | K | 81.9 | Confident | 81.9 | Confident | 36 Ų | 36 | 37.5 Ų | 37.5 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -79.6 | -43.2 | 179.7 | -172.4 | 177.5 | 179.5 | -159.8 | 0 | 113.2 | R237 E285 I286 V287 | R237-K289 PolarHBondContact O-NZ 3.22Å; E285-K289 VanDerWaalsContact O-CB 3.26Å; E285-K289 WeakPolarHBondContact O-CB 3.33Å; E285-K289 PolarHBondContact O-N 3.18Å; I286-K289 PolarHBondContact O-N 3.46Å; V287-K289 VanDerWaalsContact C-N 3.3Å; V287-K289 PolarHBondContact O-N 3.46Å |
| 290 | Y | 79.7 | Confident | 81.4 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -109.6 | -27.5 | -169.1 | -68.1 | -77.4 | 0 | 0 | 0 | 114.5 | L236 L258 Q261 A262 L265 I286 | L236-Y290 PolarHBondContact O-OH 2.83Å; L258-Y290 HydrophobicContact CB-CD1 3.86Å; L258-Y290 HydrophobicContact CB-CE1 3.83Å; L258-Y290 HydrophobicContact CD1-CD1 4.36Å; L258-Y290 HydrophobicContact CD1-CE1 4.02Å; L258-Y290 HydrophobicContact CG-CE1 4.38Å; Q261-Y290 HydrophobicContact CB-CE1 4.07Å; A262-Y290 HydrophobicContact CB-CD1 3.83Å; A262-Y290 HydrophobicContact CB-CG 4.2Å; L265-Y290 HydrophobicContact CD2-CD2 3.84Å; L265-Y290 HydrophobicContact CD2-CE2 3.94Å; I286-Y290 HydrophobicContact CG2-CD2 4.4Å; I286-Y290 WeakPolarHBondContact O-CB 3.35Å; I286-Y290 WeakPolarHBondContact O-CD2 3.14Å; I286-Y290 PolarHBondContact O-N 3.19Å |
| 291 | F | 81.6 | Confident | 80.9 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | trans | -127.7 | 48.7 | -173.8 | -51.4 | -63.7 | 0 | 0 | 0 | 113.3 | A262 I286 V287 N294 I297 L307 W311 T324 | A262-F291 HydrophobicContact CB-CE1 3.69Å; A262-F291 HydrophobicContact CB-CZ 3.75Å; I286-F291 HydrophobicContact CG2-CE2 4.26Å; V287-F291 HydrophobicContact CG1-CB 4.3Å; V287-F291 CarbonylContact O-C 3.3Å; V287-F291 VanDerWaalsContact O-CA 3.25Å; V287-F291 WeakPolarHBondContact O-CA 3.3Å; V287-F291 PolarHBondContact O-N 3.24Å; F291-N294 WeakPolarHBondContact CB-O 3.42Å; F291-N294 WeakPolarHBondContact CD1-O 3.47Å; F291-I297 HydrophobicContact CD1-CG2 4.13Å; F291-I297 HydrophobicContact CE1-CG2 3.57Å; F291-L307 HydrophobicContact CB-CD1 4.42Å; F291-L307 HydrophobicContact CD1-CD1 3.6Å; F291-L307 HydrophobicContact CD2-CD1 4.17Å; F291-L307 HydrophobicContact CE1-CD1 3.83Å; F291-L307 HydrophobicContact CE2-CD1 4.35Å; F291-L307 HydrophobicContact CG-CD1 3.79Å; F291-L307 HydrophobicContact CZ-CD1 4.18Å; F291-W311 AromaticContact CD2-CH2 3.82Å; F291-W311 HydrophobicContact CD2-CH2 3.82Å; F291-W311 HydrophobicContact CD2-CZ3 4.43Å; F291-W311 AromaticContact CE2-CH2 3.73Å; F291-W311 HydrophobicContact CE2-CH2 3.73Å; F291-W311 HydrophobicContact CE2-CZ2 4.38Å; F291-T324 WeakPolarHBondContact O-CG2 3.48Å; F291-T324 PolarHBondContact O-OG1 3.08Å | ||
| 292 | P | 77.2 | Confident | 80.4 | Confident | 54 Ų | 54 | 27.7 Ų | 27.7 | 35% | 0.351 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -77.3 | -25.6 | 175.7 | 31.6 | -34.6 | 0 | 0 | 0 | 113.5 | T324 N329 | P292-T324 VanDerWaalsContact C-CG2 3.47Å; P292-T324 WeakPolarHBondContact O-CG2 3.15Å; P292-N329 PolarHBondContact O-ND2 3.23Å |
| 293 | D | 74.9 | Confident | 80.3 | Confident | 10 Ų | 10 | 24.5 Ų | 24.5 | 5% | 0.053 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -134.3 | -13.1 | -171.8 | 60.4 | -25.1 | 0 | 0 | 0 | 113.1 | S255 Q333 W382 | S255-D293 VanDerWaalsContact CB-CG 3.47Å; S255-D293 WeakPolarHBondContact CB-OD1 3.43Å; S255-D293 VanDerWaalsContact CB-OD2 3.3Å; S255-D293 WeakPolarHBondContact CB-OD2 3.25Å; S255-D293 VanDerWaalsContact OG-CG 3.24Å; S255-D293 PolarHBondContact OG-OD1 3.28Å; S255-D293 PolarHBondContact OG-OD2 3.13Å; D293-Q333 HydrophobicContact CB-CG 4.42Å; D293-W382 PolarHBondContact O-NE1 3.19Å |
| 294 | N | 79.2 | Confident | 80.1 | Confident | 13 Ų | 13 | 25.3 Ų | 25.3 | 7% | 0.07 | 13% | 0.125 | C | C | . | . | trans | -116.8 | 116.7 | -177.4 | -66.5 | -41.2 | 0 | 0 | 0 | 111.1 | F291 H386 | F291-N294 WeakPolarHBondContact CB-O 3.42Å; F291-N294 WeakPolarHBondContact CD1-O 3.47Å; N294-H386 PolarHBondContact OD1-CE1 3.27Å | ||
| 295 | W | 83.6 | Confident | 80 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -114.1 | -9.7 | 170.9 | 55.6 | 84.7 | 0 | 0 | 0 | 113.4 | L307 L325 I330 W382 H386 Y392 I402 V406 | W295-L307 WeakPolarHBondContact O-CB 3.29Å; W295-L307 WeakPolarHBondContact O-CG 3.49Å; W295-L307 PolarHBondContact O-N 2.87Å; W295-L325 HydrophobicContact CB-CD2 4.15Å; W295-L325 HydrophobicContact CD2-CD2 4.1Å; W295-L325 HydrophobicContact CE3-CD2 4.47Å; W295-L325 HydrophobicContact CG-CD2 3.95Å; W295-I330 HydrophobicContact CH2-CB 4.41Å; W295-I330 HydrophobicContact CH2-CG1 3.86Å; W295-I330 HydrophobicContact CH2-CG2 4.25Å; W295-I330 HydrophobicContact CZ2-CG1 4.41Å; W295-I330 HydrophobicContact CZ3-CG1 4.22Å; W295-W382 HydrophobicContact CH2-CZ2 4.13Å; W295-H386 AromaticContact CD2-CD2 3.92Å; W295-H386 AromaticContact CD2-NE2 3.81Å; W295-H386 AromaticContact CE2-CD2 3.4Å; W295-H386 AromaticContact CE2-NE2 3.8Å; W295-H386 AromaticContact CZ2-CD2 3.6Å; W295-H386 PolarHBondContact N-NE2 3.4Å; W295-H386 AromaticContact NE1-CD2 3.51Å; W295-Y392 PolarHBondContact NE1-OH 3.32Å; W295-I402 HydrophobicContact CZ2-CG2 4.31Å; W295-V406 HydrophobicContact CH2-CG2 4.36Å; W295-V406 HydrophobicContact CZ2-CG2 3.73Å | ||
| 296 | V | 82.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123 | 167.1 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | L385 A391 Y392 | V296-L385 HydrophobicContact CB-CB 4.48Å; V296-L385 HydrophobicContact CG1-CB 4.35Å; V296-L385 WeakPolarHBondContact CG1-O 3.29Å; V296-A391 HydrophobicContact CG1-CB 3.57Å; V296-A391 HydrophobicContact CG2-CB 4.2Å; V296-Y392 HydrophobicContact CG2-CE2 4.44Å |
| 297 | I | 84.1 | Confident | 79.8 | Confident | 12 Ų | 12 | 17 Ų | 17 | 6% | 0.062 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 154.6 | -179.4 | 63.9 | 165.6 | 0 | 0 | 0 | 110.6 | Y266 F291 I299 T304 V305 L307 | Y266-I297 HydrophobicContact CD1-CD1 3.78Å; Y266-I297 HydrophobicContact CD2-CD1 3.93Å; Y266-I297 HydrophobicContact CE1-CD1 4.41Å; Y266-I297 HydrophobicContact CG-CD1 3.51Å; F291-I297 HydrophobicContact CD1-CG2 4.13Å; F291-I297 HydrophobicContact CE1-CG2 3.57Å; I297-I299 HydrophobicContact CD1-CD1 4.46Å; I297-I299 HydrophobicContact CD1-CG1 4.15Å; I297-T304 CarbonylContact O-C 3.41Å; I297-T304 WeakPolarHBondContact O-CA 3.5Å; I297-V305 HydrophobicContact CG1-CB 4.02Å; I297-V305 WeakPolarHBondContact CG1-O 3.3Å; I297-V305 PolarHBondContact N-O 2.92Å; I297-V305 PolarHBondContact O-N 3Å; I297-L307 HydrophobicContact CD1-CD2 3.94Å; I297-L307 HydrophobicContact CG1-CD2 4.24Å; I297-L307 HydrophobicContact CG2-CD1 4.15Å; I297-L307 HydrophobicContact CG2-CG 4.35Å |
| 298 | S | 82.4 | Confident | 79.7 | Confident | 14 Ų | 14 | 17.7 Ų | 17.7 | 10% | 0.098 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119.8 | 169.2 | 60.2 | 0 | 0 | 0 | 0 | 109.7 | I303 Y563 | S298-I303 CarbonylContact C-O 3.51Å; S298-I303 WeakPolarHBondContact CA-O 3.43Å; S298-Y563 WeakPolarHBondContact OG-CB 3.45Å |
| 299 | I | 79.8 | Confident | 79.4 | Confident | 6 Ų | 6 | 16.8 Ų | 16.8 | 3% | 0.031 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 144.5 | 168.7 | -53.2 | 176.5 | 0 | 0 | 0 | 107.1 | Y151 V155 Y266 V267 I297 G302 I303 V305 | Y151-I299 HydrophobicContact CE2-CG2 3.98Å; V155-I299 HydrophobicContact CG2-CG2 3.82Å; Y266-I299 HydrophobicContact CD1-CD1 3.44Å; Y266-I299 VanDerWaalsContact CD1-CD1 3.44Å; Y266-I299 HydrophobicContact CD1-CG1 4.23Å; Y266-I299 HydrophobicContact CE1-CD1 3.25Å; Y266-I299 HydrophobicContact CE1-CG1 4.43Å; V267-I299 HydrophobicContact CG2-CD1 4.34Å; V267-I299 HydrophobicContact CG2-CG2 4.18Å; I297-I299 HydrophobicContact CD1-CD1 4.46Å; I297-I299 HydrophobicContact CD1-CG1 4.15Å; I299-G302 PolarHBondContact O-N 3.21Å; I299-I303 HydrophobicContact CB-CB 4.42Å; I299-I303 PolarHBondContact N-O 3.4Å; I299-I303 WeakPolarHBondContact O-CA 3.33Å; I299-I303 VanDerWaalsContact O-CB 3.3Å; I299-I303 WeakPolarHBondContact O-CB 3.35Å; I299-I303 PolarHBondContact O-N 3.09Å; I299-V305 HydrophobicContact CD1-CB 4.04Å; I299-V305 HydrophobicContact CD1-CG2 3.41Å; I299-V305 VanDerWaalsContact CD1-CG2 3.41Å; I299-V305 HydrophobicContact CG1-CB 4.48Å; I299-V305 HydrophobicContact CG1-CG2 4.04Å |
| 300 | Y | 74.1 | Confident | 79.3 | Confident | 23 Ų | 23 | 15.4 Ų | 15.4 | 9% | 0.09 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 18.7 | 108.3 | 173.2 | -163.8 | -89.9 | 0 | 0 | 0 | 117 | N25 I28 L32 Y151 L152 V155 G302 Y622 | N25-Y300 PolarHBondContact OD1-OH 3.44Å; I28-Y300 HydrophobicContact CB-CE1 4.31Å; I28-Y300 HydrophobicContact CD1-CD2 4.4Å; I28-Y300 HydrophobicContact CD1-CE1 4.46Å; I28-Y300 HydrophobicContact CD1-CE2 3.95Å; I28-Y300 HydrophobicContact CG2-CD1 3.99Å; I28-Y300 HydrophobicContact CG2-CE1 3.33Å; L32-Y300 HydrophobicContact CD1-CE1 4.5Å; Y151-Y300 HydrophobicContact CE1-CD2 4.3Å; Y151-Y300 PolarHBondContact OH-N 3.08Å; L152-Y300 HydrophobicContact CD2-CD2 4.29Å; L152-Y300 HydrophobicContact CD2-CE2 3.84Å; V155-Y300 HydrophobicContact CG1-CD1 4.17Å; V155-Y300 HydrophobicContact CG1-CD2 4.2Å; V155-Y300 HydrophobicContact CG1-CG 3.75Å; Y300-G302 VanDerWaalsContact C-N 3.33Å; Y300-G302 PolarHBondContact O-N 2.87Å; Y300-Y622 PolarHBondContact OH-OH 3.2Å |
| 301 | M | 71.6 | Confident | 79.4 | Confident | 21 Ų | 21 | 15.3 Ų | 15.3 | 10% | 0.103 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 49.6 | 178.4 | -61.8 | -61.6 | -127.7 | 0 | 0 | 113.4 | W565 L600 P603 Y622 | M301-W565 HydrophobicContact CB-CG 4.42Å; M301-W565 WeakPolarHBondContact O-CB 2.98Å; M301-L600 HydrophobicContact CE-CD2 3.73Å; M301-P603 HydrophobicContact CE-CG 3.77Å; M301-Y622 HydrophobicContact CE-CD1 3.65Å; M301-Y622 HydrophobicContact CE-CD2 4.46Å; M301-Y622 HydrophobicContact CE-CE1 3.64Å; M301-Y622 HydrophobicContact CE-CE2 4.44Å; M301-Y622 HydrophobicContact CE-CG 4.1Å; M301-Y622 HydrophobicContact CG-CE1 4.22Å |
| 302 | G | 73.1 | Confident | 79.4 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 16.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | I299 Y300 T304 S562 Y563 Q566 | I299-G302 PolarHBondContact O-N 3.21Å; Y300-G302 VanDerWaalsContact C-N 3.33Å; Y300-G302 PolarHBondContact O-N 2.87Å; G302-T304 PolarHBondContact O-N 3.42Å; G302-T304 VanDerWaalsContact O-N 3.15Å; G302-S562 PolarHBondContact N-O 3.24Å; G302-Y563 WeakPolarHBondContact CA-O 3.07Å; G302-Q566 WeakPolarHBondContact O-CB 3.41Å |
| 303 | I | 78.5 | Confident | 79.6 | Confident | 16 Ų | 16 | 20.7 Ų | 20.7 | 8% | 0.082 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 107.8 | 170.2 | -60.5 | 167 | 0 | 0 | 0 | 108.5 | V159 S298 I299 V305 | V159-I303 HydrophobicContact CG2-CD1 3.9Å; S298-I303 CarbonylContact C-O 3.51Å; S298-I303 WeakPolarHBondContact CA-O 3.43Å; I299-I303 HydrophobicContact CB-CB 4.42Å; I299-I303 PolarHBondContact N-O 3.4Å; I299-I303 WeakPolarHBondContact O-CA 3.33Å; I299-I303 VanDerWaalsContact O-CB 3.3Å; I299-I303 WeakPolarHBondContact O-CB 3.35Å; I299-I303 PolarHBondContact O-N 3.09Å; I303-V305 HydrophobicContact CG2-CG2 4.46Å |
| 304 | T | 81.6 | Confident | 79.9 | Confident | 18 Ų | 18 | 20.2 Ų | 20.2 | 11% | 0.11 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 133.1 | -179.7 | 49.8 | 0 | 0 | 0 | 0 | 111.3 | I297 G302 L385 S390 I567 | I297-T304 CarbonylContact O-C 3.41Å; I297-T304 WeakPolarHBondContact O-CA 3.5Å; G302-T304 PolarHBondContact O-N 3.42Å; G302-T304 VanDerWaalsContact O-N 3.15Å; T304-L385 HydrophobicContact CG2-CD2 4.46Å; T304-S390 PolarHBondContact OG1-OG 2.95Å; T304-I567 HydrophobicContact CG2-CD1 3.63Å; T304-I567 HydrophobicContact CG2-CG1 3.8Å |
| 305 | V | 80.2 | Confident | 80.1 | Confident | 26 Ų | 26 | 27 Ų | 27 | 16% | 0.158 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 130 | 175.2 | 175.4 | 0 | 0 | 0 | 0 | 109.8 | Y266 I297 I299 I303 A310 | Y266-V305 HydrophobicContact CE1-CG1 4.14Å; Y266-V305 HydrophobicContact CE2-CG1 4.24Å; Y266-V305 WeakPolarHBondContact OH-CG1 3.22Å; I297-V305 HydrophobicContact CG1-CB 4.02Å; I297-V305 WeakPolarHBondContact CG1-O 3.3Å; I297-V305 PolarHBondContact N-O 2.92Å; I297-V305 PolarHBondContact O-N 3Å; I299-V305 HydrophobicContact CD1-CB 4.04Å; I299-V305 HydrophobicContact CD1-CG2 3.41Å; I299-V305 VanDerWaalsContact CD1-CG2 3.41Å; I299-V305 HydrophobicContact CG1-CB 4.48Å; I299-V305 HydrophobicContact CG1-CG2 4.04Å; I303-V305 HydrophobicContact CG2-CG2 4.46Å; V305-A310 HydrophobicContact CG1-CB 3.99Å |
| 306 | N | 83.1 | Confident | 80.1 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 117.8 | 175.1 | -166 | -33.7 | 0 | 0 | 0 | 110.3 | V308 E309 A310 A391 Y392 | N306-V308 PolarHBondContact O-N 3.5Å; N306-V308 VanDerWaalsContact OD1-CB 3.32Å; N306-V308 WeakPolarHBondContact OD1-CB 3.35Å; N306-V308 VanDerWaalsContact OD1-CG2 3.32Å; N306-V308 WeakPolarHBondContact OD1-CG2 3.46Å; N306-V308 PolarHBondContact OD1-N 3.15Å; N306-E309 PolarHBondContact O-N 2.74Å; N306-A310 WeakPolarHBondContact O-CB 3.45Å; N306-A310 PolarHBondContact O-N 3.45Å; N306-A391 WeakPolarHBondContact CB-O 3.38Å; N306-A391 PolarHBondContact ND2-O 3.25Å; N306-Y392 WeakPolarHBondContact ND2-CD1 3.42Å; N306-Y392 WeakPolarHBondContact ND2-CE1 3.26Å |
| 307 | L | 81.7 | Confident | 80 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.8 | -27 | -178.2 | -64.5 | -179.4 | 0 | 0 | 0 | 112.4 | Y266 F291 W295 I297 E309 W311 L321 | Y266-L307 HydrophobicContact CD2-CD2 3.46Å; Y266-L307 VanDerWaalsContact CD2-CD2 3.46Å; Y266-L307 HydrophobicContact CE2-CD2 3.66Å; Y266-L307 HydrophobicContact CG-CD2 4.42Å; F291-L307 HydrophobicContact CB-CD1 4.42Å; F291-L307 HydrophobicContact CD1-CD1 3.6Å; F291-L307 HydrophobicContact CD2-CD1 4.17Å; F291-L307 HydrophobicContact CE1-CD1 3.83Å; F291-L307 HydrophobicContact CE2-CD1 4.35Å; F291-L307 HydrophobicContact CG-CD1 3.79Å; F291-L307 HydrophobicContact CZ-CD1 4.18Å; W295-L307 WeakPolarHBondContact O-CB 3.29Å; W295-L307 WeakPolarHBondContact O-CG 3.49Å; W295-L307 PolarHBondContact O-N 2.87Å; I297-L307 HydrophobicContact CD1-CD2 3.94Å; I297-L307 HydrophobicContact CG1-CD2 4.24Å; I297-L307 HydrophobicContact CG2-CD1 4.15Å; I297-L307 HydrophobicContact CG2-CG 4.35Å; L307-E309 VanDerWaalsContact C-N 3.33Å; L307-E309 PolarHBondContact O-N 3.22Å; L307-W311 HydrophobicContact CB-CD2 4.45Å; L307-W311 HydrophobicContact CB-CE3 4.2Å; L307-W311 HydrophobicContact CB-CZ3 4.42Å; L307-W311 HydrophobicContact CD1-CH2 4.03Å; L307-W311 HydrophobicContact CD1-CZ3 4.06Å; L307-W311 HydrophobicContact CD2-CD2 4.36Å; L307-W311 HydrophobicContact CD2-CH2 4.19Å; L307-W311 HydrophobicContact CD2-CZ2 3.93Å; L307-W311 VanDerWaalsContact O-CB 3.29Å; L307-W311 WeakPolarHBondContact O-CB 3.5Å; L307-W311 PolarHBondContact O-N 3.33Å; L307-L321 HydrophobicContact CB-CD1 4.39Å; L307-L321 HydrophobicContact CB-CD2 3.93Å; L307-L321 HydrophobicContact CD1-CD1 4.5Å |
| 308 | V | 80.5 | Confident | 80 | Confident | 17 Ų | 17 | 30.1 Ų | 30.1 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.1 | -40.8 | 179.6 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | N306 E312 L321 L325 L399 | N306-V308 PolarHBondContact O-N 3.5Å; N306-V308 VanDerWaalsContact OD1-CB 3.32Å; N306-V308 WeakPolarHBondContact OD1-CB 3.35Å; N306-V308 VanDerWaalsContact OD1-CG2 3.32Å; N306-V308 WeakPolarHBondContact OD1-CG2 3.46Å; N306-V308 PolarHBondContact OD1-N 3.15Å; V308-E312 PolarHBondContact O-N 3.06Å; V308-L321 HydrophobicContact CG2-CD2 4.06Å; V308-L325 HydrophobicContact CG1-CD1 4.43Å; V308-L325 HydrophobicContact CG2-CD1 3.71Å; V308-L325 HydrophobicContact CG2-CD2 3.77Å; V308-L325 HydrophobicContact CG2-CG 4.37Å; V308-L399 HydrophobicContact CB-CD2 3.72Å; V308-L399 HydrophobicContact CG1-CD2 3.71Å; V308-L399 HydrophobicContact CG2-CD2 4.31Å |
| 309 | E | 77.8 | Confident | 80.1 | Confident | 74 Ų | 74 | 32.2 Ų | 32.2 | 35% | 0.346 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -81 | -44.3 | 177 | -173 | -176.1 | 165 | 0 | 0 | 111 | N306 L307 W311 E312 L399 | N306-E309 PolarHBondContact O-N 2.74Å; L307-E309 VanDerWaalsContact C-N 3.33Å; L307-E309 PolarHBondContact O-N 3.22Å; E309-W311 VanDerWaalsContact C-N 3.27Å; E309-W311 PolarHBondContact O-N 3.45Å; E309-E312 PolarHBondContact O-N 3.36Å; E309-L399 HydrophobicContact CB-CD1 4.46Å |
| 310 | A | 77.8 | Confident | 80.1 | Confident | 7 Ų | 7 | 32.2 Ų | 32.2 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.4 | -34.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R210 Y266 V305 N306 | R210-A310 PolarHBondContact NH1-O 3.15Å; Y266-A310 HydrophobicContact CE2-CB 3.81Å; Y266-A310 VanDerWaalsContact OH-CB 3.24Å; Y266-A310 WeakPolarHBondContact OH-CB 3.45Å; V305-A310 HydrophobicContact CG1-CB 3.99Å; N306-A310 WeakPolarHBondContact O-CB 3.45Å; N306-A310 PolarHBondContact O-N 3.45Å |
| 311 | W | 83.7 | Confident | 80.6 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 2.5 | -179.3 | -65.7 | -16.5 | 0 | 0 | 0 | 114.9 | Y266 L269 M283 V287 F291 L307 E309 P313 Y314 A317 L321 | Y266-W311 HydrophobicContact CD2-CZ2 4.09Å; Y266-W311 AromaticContact CD2-NE1 3.76Å; Y266-W311 AromaticContact CE2-NE1 3.69Å; L269-W311 HydrophobicContact CD1-CZ2 4.38Å; M283-W311 HydrophobicContact CE-CH2 4.21Å; M283-W311 HydrophobicContact CE-CZ2 4.34Å; M283-W311 HydrophobicContact CE-CZ3 4.41Å; V287-W311 HydrophobicContact CG2-CH2 4.32Å; V287-W311 HydrophobicContact CG2-CZ3 3.86Å; F291-W311 AromaticContact CD2-CH2 3.82Å; F291-W311 HydrophobicContact CD2-CH2 3.82Å; F291-W311 HydrophobicContact CD2-CZ3 4.43Å; F291-W311 AromaticContact CE2-CH2 3.73Å; F291-W311 HydrophobicContact CE2-CH2 3.73Å; F291-W311 HydrophobicContact CE2-CZ2 4.38Å; L307-W311 HydrophobicContact CB-CD2 4.45Å; L307-W311 HydrophobicContact CB-CE3 4.2Å; L307-W311 HydrophobicContact CB-CZ3 4.42Å; L307-W311 HydrophobicContact CD1-CH2 4.03Å; L307-W311 HydrophobicContact CD1-CZ3 4.06Å; L307-W311 HydrophobicContact CD2-CD2 4.36Å; L307-W311 HydrophobicContact CD2-CH2 4.19Å; L307-W311 HydrophobicContact CD2-CZ2 3.93Å; L307-W311 VanDerWaalsContact O-CB 3.29Å; L307-W311 WeakPolarHBondContact O-CB 3.5Å; L307-W311 PolarHBondContact O-N 3.33Å; E309-W311 VanDerWaalsContact C-N 3.27Å; E309-W311 PolarHBondContact O-N 3.45Å; W311-P313 VanDerWaalsContact C-CD 3.46Å; W311-Y314 PolarHBondContact O-N 3.39Å; W311-A317 HydrophobicContact CB-CB 3.85Å; W311-A317 HydrophobicContact CD2-CB 3.9Å; W311-A317 HydrophobicContact CE3-CB 4.08Å; W311-A317 HydrophobicContact CG-CB 3.82Å; W311-L321 HydrophobicContact CE3-CB 4.35Å; W311-L321 HydrophobicContact CE3-CD1 4.41Å; W311-L321 HydrophobicContact CE3-CD2 4.19Å; W311-L321 HydrophobicContact CZ3-CD1 4.18Å |
| 312 | E | 80.4 | Confident | 81.1 | Confident | 100 Ų | 100 | 33.5 Ų | 33.5 | 47% | 0.467 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -44.4 | 179.8 | -175.4 | 167.7 | -155.3 | 0 | 0 | 115.4 | V308 E309 Y314 | V308-E312 PolarHBondContact O-N 3.06Å; E309-E312 PolarHBondContact O-N 3.36Å; E312-Y314 VanDerWaalsContact C-N 3.26Å; E312-Y314 PolarHBondContact O-N 2.88Å |
| 313 | P | 80.6 | Confident | 81.3 | Confident | 69 Ų | 69 | 40.2 Ų | 40.2 | 45% | 0.448 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -12.9 | -179.1 | 28.1 | -32.7 | 0 | 0 | 0 | 113.8 | H277 W311 | H277-P313 PolarHBondContact CE1-O 3.44Å; W311-P313 VanDerWaalsContact C-CD 3.46Å |
| 314 | Y | 83.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -98.7 | 112.3 | -172.6 | -60.2 | -80.9 | 0 | 0 | 0 | 111.6 | E216 F270 L276 H277 W311 E312 A316 K318 | E216-Y314 HydrophobicContact CG-CE1 4.37Å; E216-Y314 VanDerWaalsContact CG-OH 3.24Å; E216-Y314 WeakPolarHBondContact CG-OH 3.23Å; E216-Y314 WeakPolarHBondContact OE1-CE1 3.44Å; E216-Y314 VanDerWaalsContact OE1-CZ 3.27Å; E216-Y314 PolarHBondContact OE1-OH 2.98Å; F270-Y314 WeakPolarHBondContact CD1-OH 3.36Å; F270-Y314 AromaticContact CE1-CE2 3.93Å; F270-Y314 HydrophobicContact CE1-CE2 3.93Å; F270-Y314 WeakPolarHBondContact CE1-OH 3.47Å; L276-Y314 HydrophobicContact CB-CD1 3.33Å; L276-Y314 HydrophobicContact CB-CE1 3.87Å; L276-Y314 HydrophobicContact CB-CG 3.76Å; L276-Y314 HydrophobicContact CD1-CD1 3.94Å; L276-Y314 HydrophobicContact CD1-CD2 4.47Å; L276-Y314 HydrophobicContact CD1-CE1 3.67Å; L276-Y314 HydrophobicContact CD1-CE2 4.25Å; L276-Y314 HydrophobicContact CD1-CG 4.3Å; L276-Y314 HydrophobicContact CG-CD1 4.23Å; L276-Y314 HydrophobicContact CG-CE1 4.42Å; H277-Y314 AromaticContact CD2-CD1 3.57Å; H277-Y314 AromaticContact CD2-CE1 3.94Å; H277-Y314 AromaticContact CE1-CD1 3.7Å; H277-Y314 AromaticContact NE2-CD1 3.28Å; H277-Y314 VanDerWaalsContact NE2-CD1 3.28Å; H277-Y314 WeakPolarHBondContact NE2-CD1 3.37Å; H277-Y314 AromaticContact NE2-CE1 3.56Å; W311-Y314 PolarHBondContact O-N 3.39Å; E312-Y314 VanDerWaalsContact C-N 3.26Å; E312-Y314 PolarHBondContact O-N 2.88Å; Y314-A316 PolarHBondContact O-N 3.07Å; Y314-K318 WeakPolarHBondContact O-CB 3.36Å; Y314-K318 PolarHBondContact O-N 3.14Å | ||
| 315 | K | 83.5 | Confident | 81.1 | Confident | 155 Ų | 155 | 39.8 Ų | 39.8 | 67% | 0.674 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -59.8 | -50.6 | -174.1 | -67.1 | -177.4 | -178.4 | 177.4 | 0 | 113.2 | T319 | K315-T319 PolarHBondContact O-N 2.89Å; K315-T319 VanDerWaalsContact O-N 3.1Å; K315-T319 PolarHBondContact O-OG1 3.25Å |
| 316 | A | 82.2 | Confident | 81.2 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.9 | -40.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L276 Q280 M283 Y314 A320 | L276-A316 VanDerWaalsContact O-CB 3.28Å; L276-A316 WeakPolarHBondContact O-CB 3.33Å; L276-A316 PolarHBondContact O-N 3.21Å; Q280-A316 HydrophobicContact CB-CB 4.46Å; Q280-A316 HydrophobicContact CG-CB 3.74Å; M283-A316 HydrophobicContact CG-CB 4.31Å; Y314-A316 PolarHBondContact O-N 3.07Å; A316-A320 PolarHBondContact O-N 3.4Å |
| 317 | A | 80.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.7 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L276 M283 W311 T319 A320 L321 | L276-A317 HydrophobicContact CD2-CB 4.01Å; L276-A317 PolarHBondContact O-N 3.1Å; M283-A317 HydrophobicContact CE-CB 3.75Å; W311-A317 HydrophobicContact CB-CB 3.85Å; W311-A317 HydrophobicContact CD2-CB 3.9Å; W311-A317 HydrophobicContact CE3-CB 4.08Å; W311-A317 HydrophobicContact CG-CB 3.82Å; A317-T319 PolarHBondContact O-N 3.2Å; A317-A320 PolarHBondContact O-N 3.44Å; A317-L321 WeakPolarHBondContact O-CB 3.19Å; A317-L321 PolarHBondContact O-N 2.95Å |
| 318 | K | 84.3 | Confident | 80.9 | Confident | 77 Ų | 77 | 48.6 Ų | 48.6 | 34% | 0.335 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 176.7 | -179.6 | 173 | -178.2 | 167.9 | 0 | 112.5 | Y314 N322 | Y314-K318 WeakPolarHBondContact O-CB 3.36Å; Y314-K318 PolarHBondContact O-N 3.14Å; K318-N322 VanDerWaalsContact O-CG 3.25Å; K318-N322 PolarHBondContact O-N 3.34Å; K318-N322 VanDerWaalsContact O-N 3.15Å; K318-N322 PolarHBondContact O-ND2 2.87Å |
| 319 | T | 83.8 | Confident | 80.9 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 36% | 0.356 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 177.6 | -59 | 0 | 0 | 0 | 0 | 111.9 | K315 A317 Y323 | K315-T319 PolarHBondContact O-N 2.89Å; K315-T319 VanDerWaalsContact O-N 3.1Å; K315-T319 PolarHBondContact O-OG1 3.25Å; A317-T319 PolarHBondContact O-N 3.2Å; T319-Y323 WeakPolarHBondContact O-CD2 3.28Å |
| 320 | A | 80.7 | Confident | 81 | Confident | 6 Ų | 6 | 46 Ų | 46 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.2 | -45 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M283 V287 A316 A317 N322 Y323 | M283-A320 HydrophobicContact CB-CB 4.32Å; V287-A320 HydrophobicContact CB-CB 4.18Å; V287-A320 HydrophobicContact CG2-CB 3.78Å; A316-A320 PolarHBondContact O-N 3.4Å; A317-A320 PolarHBondContact O-N 3.44Å; A320-N322 VanDerWaalsContact C-N 3.33Å; A320-N322 PolarHBondContact O-N 2.69Å; A320-Y323 PolarHBondContact O-N 3.44Å |
| 321 | L | 83 | Confident | 81.3 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.8 | -27.5 | -177.8 | -167.3 | 70.3 | 0 | 0 | 0 | 113.7 | L307 V308 W311 A317 Y323 T324 L325 | L307-L321 HydrophobicContact CB-CD1 4.39Å; L307-L321 HydrophobicContact CB-CD2 3.93Å; L307-L321 HydrophobicContact CD1-CD1 4.5Å; V308-L321 HydrophobicContact CG2-CD2 4.06Å; W311-L321 HydrophobicContact CE3-CB 4.35Å; W311-L321 HydrophobicContact CE3-CD1 4.41Å; W311-L321 HydrophobicContact CE3-CD2 4.19Å; W311-L321 HydrophobicContact CZ3-CD1 4.18Å; A317-L321 WeakPolarHBondContact O-CB 3.19Å; A317-L321 PolarHBondContact O-N 2.95Å; L321-Y323 PolarHBondContact O-N 3.24Å; L321-T324 WeakPolarHBondContact O-CB 3.46Å; L321-T324 PolarHBondContact O-N 2.88Å; L321-L325 HydrophobicContact CD2-CD1 3.98Å; L321-L325 HydrophobicContact CG-CD1 3.89Å; L321-L325 HydrophobicContact CG-CG 4.13Å; L321-L325 WeakPolarHBondContact O-CG 3.4Å; L321-L325 PolarHBondContact O-N 3.36Å; L321-L325 VanDerWaalsContact O-N 3.09Å |
| 322 | N | 82.9 | Confident | 81.4 | Confident | 67 Ų | 67 | 57.3 Ų | 57.3 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.6 | -24.9 | 178.5 | -79.5 | -27.8 | 0 | 0 | 0 | 113.4 | K318 A320 R398 | K318-N322 VanDerWaalsContact O-CG 3.25Å; K318-N322 PolarHBondContact O-N 3.34Å; K318-N322 VanDerWaalsContact O-N 3.15Å; K318-N322 PolarHBondContact O-ND2 2.87Å; A320-N322 VanDerWaalsContact C-N 3.33Å; A320-N322 PolarHBondContact O-N 2.69Å; N322-R398 PolarHBondContact OD1-NH2 3.49Å |
| 323 | Y | 78.3 | Confident | 81.4 | Confident | 143 Ų | 143 | 53.7 Ų | 53.7 | 56% | 0.561 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -70 | -38 | 174.1 | -69.5 | -78.3 | 0 | 0 | 0 | 111.8 | T319 A320 L321 | T319-Y323 WeakPolarHBondContact O-CD2 3.28Å; A320-Y323 PolarHBondContact O-N 3.44Å; L321-Y323 PolarHBondContact O-N 3.24Å |
| 324 | T | 76.8 | Confident | 81.5 | Confident | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.043 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.8 | -38.3 | 176.1 | -34.9 | 0 | 0 | 0 | 0 | 112.1 | V287 F291 P292 L321 D326 N329 | V287-T324 VanDerWaalsContact CG1-OG1 3.3Å; V287-T324 WeakPolarHBondContact CG1-OG1 3.22Å; F291-T324 WeakPolarHBondContact O-CG2 3.48Å; F291-T324 PolarHBondContact O-OG1 3.08Å; P292-T324 VanDerWaalsContact C-CG2 3.47Å; P292-T324 WeakPolarHBondContact O-CG2 3.15Å; L321-T324 WeakPolarHBondContact O-CB 3.46Å; L321-T324 PolarHBondContact O-N 2.88Å; T324-D326 PolarHBondContact O-N 3.39Å; T324-N329 PolarHBondContact O-ND2 3.43Å |
| 325 | L | 77.6 | Confident | 81.5 | Confident | 17 Ų | 17 | 53 Ų | 53 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 13.5 | -177.2 | -62 | 169.9 | 0 | 0 | 0 | 113.8 | W295 V308 L321 S327 I330 I402 | W295-L325 HydrophobicContact CB-CD2 4.15Å; W295-L325 HydrophobicContact CD2-CD2 4.1Å; W295-L325 HydrophobicContact CE3-CD2 4.47Å; W295-L325 HydrophobicContact CG-CD2 3.95Å; V308-L325 HydrophobicContact CG1-CD1 4.43Å; V308-L325 HydrophobicContact CG2-CD1 3.71Å; V308-L325 HydrophobicContact CG2-CD2 3.77Å; V308-L325 HydrophobicContact CG2-CG 4.37Å; L321-L325 HydrophobicContact CD2-CD1 3.98Å; L321-L325 HydrophobicContact CG-CD1 3.89Å; L321-L325 HydrophobicContact CG-CG 4.13Å; L321-L325 WeakPolarHBondContact O-CG 3.4Å; L321-L325 PolarHBondContact O-N 3.36Å; L321-L325 VanDerWaalsContact O-N 3.09Å; L325-S327 PolarHBondContact O-N 2.89Å; L325-I330 WeakPolarHBondContact O-CD1 3.45Å; L325-I402 HydrophobicContact CD2-CD1 4.34Å |
| 326 | D | 82.6 | Confident | 81.6 | Confident | 86 Ų | 86 | 49.1 Ų | 49.1 | 46% | 0.46 | 26% | 0.255 | S | S | . | . | trans | -65 | 136.7 | 175.3 | -167.4 | 6 | 0 | 0 | 0 | 110.4 | T324 A328 N329 I330 | T324-D326 PolarHBondContact O-N 3.39Å; D326-A328 PolarHBondContact O-N 3.5Å; D326-A328 VanDerWaalsContact O-N 3.15Å; D326-N329 PolarHBondContact O-N 3.4Å; D326-I330 WeakPolarHBondContact O-CG1 3.41Å; D326-I330 PolarHBondContact O-N 2.94Å | ||
| 327 | S | 77.3 | Confident | 81.7 | Confident | 70 Ų | 70 | 49.4 Ų | 49.4 | 49% | 0.49 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.5 | -32 | -177.7 | 61.6 | 0 | 0 | 0 | 0 | 112.9 | L325 K331 Q405 | L325-S327 PolarHBondContact O-N 2.89Å; S327-K331 WeakPolarHBondContact O-CB 3.32Å; S327-K331 PolarHBondContact O-N 3.05Å; S327-K331 VanDerWaalsContact O-N 3.16Å; S327-Q405 PolarHBondContact O-NE2 3.02Å; S327-Q405 VanDerWaalsContact O-NE2 3.07Å |
| 328 | A | 80.8 | Confident | 81.8 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 50% | 0.504 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.3 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D326 K331 E332 | D326-A328 PolarHBondContact O-N 3.5Å; D326-A328 VanDerWaalsContact O-N 3.15Å; A328-K331 PolarHBondContact O-N 3.4Å; A328-E332 WeakPolarHBondContact O-CB 3.43Å; A328-E332 PolarHBondContact O-N 3.5Å |
| 329 | N | 81.6 | Confident | 81.8 | Confident | 35 Ų | 35 | 49 Ų | 49 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.6 | -44.3 | 178.5 | -172.9 | 35.9 | 0 | 0 | 0 | 111.2 | P292 T324 D326 K331 E332 Q333 | P292-N329 PolarHBondContact O-ND2 3.23Å; T324-N329 PolarHBondContact O-ND2 3.43Å; D326-N329 PolarHBondContact O-N 3.4Å; N329-K331 VanDerWaalsContact C-N 3.28Å; N329-K331 PolarHBondContact O-N 3.3Å; N329-E332 PolarHBondContact O-N 3.44Å; N329-Q333 WeakPolarHBondContact O-CG 3.29Å; N329-Q333 PolarHBondContact O-N 3.02Å; N329-Q333 PolarHBondContact OD1-NE2 2.85Å |
| 330 | I | 80.6 | Confident | 81.7 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.6 | -44.9 | 176.5 | -65.3 | 168.7 | 0 | 0 | 0 | 110.6 | W295 L325 D326 A334 I402 Q405 V406 | W295-I330 HydrophobicContact CH2-CB 4.41Å; W295-I330 HydrophobicContact CH2-CG1 3.86Å; W295-I330 HydrophobicContact CH2-CG2 4.25Å; W295-I330 HydrophobicContact CZ2-CG1 4.41Å; W295-I330 HydrophobicContact CZ3-CG1 4.22Å; L325-I330 WeakPolarHBondContact O-CD1 3.45Å; D326-I330 WeakPolarHBondContact O-CG1 3.41Å; D326-I330 PolarHBondContact O-N 2.94Å; I330-A334 WeakPolarHBondContact O-CB 3.48Å; I330-A334 PolarHBondContact O-N 2.98Å; I330-I402 HydrophobicContact CD1-CG2 4.3Å; I330-Q405 HydrophobicContact CG2-CG 4.15Å; I330-V406 HydrophobicContact CG2-CG2 3.78Å |
| 331 | K | 83.5 | Confident | 81.7 | Confident | 116 Ų | 116 | 48.3 Ų | 48.3 | 50% | 0.504 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.8 | -42 | 179.1 | -176.1 | 174.9 | -177.5 | -179.6 | 0 | 112.4 | S327 A328 N329 S335 | S327-K331 WeakPolarHBondContact O-CB 3.32Å; S327-K331 PolarHBondContact O-N 3.05Å; S327-K331 VanDerWaalsContact O-N 3.16Å; A328-K331 PolarHBondContact O-N 3.4Å; N329-K331 VanDerWaalsContact C-N 3.28Å; N329-K331 PolarHBondContact O-N 3.3Å; K331-S335 VanDerWaalsContact O-CB 3.24Å; K331-S335 WeakPolarHBondContact O-CB 3.39Å; K331-S335 PolarHBondContact O-N 3.36Å; K331-S335 PolarHBondContact O-OG 3.14Å |
| 332 | E | 84.6 | Confident | 81.7 | Confident | 129 Ų | 129 | 54 Ų | 54 | 60% | 0.603 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.6 | -50.5 | 177.7 | -174.6 | 178.4 | 170.2 | 0 | 0 | 111.1 | A328 N329 S335 R336 | A328-E332 WeakPolarHBondContact O-CB 3.43Å; A328-E332 PolarHBondContact O-N 3.5Å; N329-E332 PolarHBondContact O-N 3.44Å; E332-S335 PolarHBondContact O-N 3.15Å; E332-R336 VanDerWaalsContact O-CB 3.3Å; E332-R336 WeakPolarHBondContact O-CB 3.24Å; E332-R336 PolarHBondContact O-N 3.31Å |
| 333 | Q | 81.8 | Confident | 81.8 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 12% | 0.117 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65 | -45.4 | 179.2 | -59.9 | -51.8 | -27.6 | 0 | 0 | 112 | D293 N329 S335 R336 Y337 W382 | D293-Q333 HydrophobicContact CB-CG 4.42Å; N329-Q333 WeakPolarHBondContact O-CG 3.29Å; N329-Q333 PolarHBondContact O-N 3.02Å; N329-Q333 PolarHBondContact OD1-NE2 2.85Å; Q333-S335 PolarHBondContact O-N 3.44Å; Q333-R336 WeakPolarHBondContact O-CB 3.43Å; Q333-R336 PolarHBondContact O-N 3.25Å; Q333-Y337 WeakPolarHBondContact O-CD2 3.49Å; Q333-Y337 PolarHBondContact O-N 3.44Å; Q333-Y337 VanDerWaalsContact O-N 3.08Å; Q333-W382 HydrophobicContact CB-CZ2 3.98Å |
| 334 | A | 81.5 | Confident | 82 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I330 R336 A338 W382 D409 | I330-A334 WeakPolarHBondContact O-CB 3.48Å; I330-A334 PolarHBondContact O-N 2.98Å; A334-R336 VanDerWaalsContact C-N 3.33Å; A334-R336 PolarHBondContact O-N 3.39Å; A334-A338 WeakPolarHBondContact O-CB 3.31Å; A334-A338 PolarHBondContact O-N 3.35Å; A334-A338 VanDerWaalsContact O-N 3.11Å; A334-W382 HydrophobicContact CB-CH2 4.17Å; A334-D409 HydrophobicContact CB-CB 3.68Å |
| 335 | S | 84.8 | Confident | 82.2 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 37% | 0.371 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66 | -37.3 | 178 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | K331 E332 Q333 A338 A339 | K331-S335 VanDerWaalsContact O-CB 3.24Å; K331-S335 WeakPolarHBondContact O-CB 3.39Å; K331-S335 PolarHBondContact O-N 3.36Å; K331-S335 PolarHBondContact O-OG 3.14Å; E332-S335 PolarHBondContact O-N 3.15Å; Q333-S335 PolarHBondContact O-N 3.44Å; S335-A338 PolarHBondContact O-N 3.38Å; S335-A339 PolarHBondContact O-N 3.24Å |
| 336 | R | 85.3 | Confident | 82.5 | Confident | 74 Ų | 74 | 53 Ų | 53 | 28% | 0.279 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.8 | -51.8 | 177.4 | 177.5 | -178.9 | 168.8 | 165.3 | -2.7 | 111.8 | E252 E332 Q333 A334 A338 A339 S340 | E252-R336 IonicContact OE1-CZ 2.62Å; E252-R336 VanDerWaalsContact OE1-CZ 3.27Å; E252-R336 IonicContact OE1-NH1 2.76Å; E252-R336 PolarHBondContact OE1-NH1 3.38Å; E252-R336 IonicContact OE1-NH2 3.77Å; E252-R336 PolarHBondContact OE1-NH2 3.12Å; E252-R336 IonicContact OE2-CZ 2.64Å; E252-R336 IonicContact OE2-NH1 3.03Å; E252-R336 IonicContact OE2-NH2 3.32Å; E252-R336 PolarHBondContact OE2-NH2 3.27Å; E332-R336 VanDerWaalsContact O-CB 3.3Å; E332-R336 WeakPolarHBondContact O-CB 3.24Å; E332-R336 PolarHBondContact O-N 3.31Å; Q333-R336 WeakPolarHBondContact O-CB 3.43Å; Q333-R336 PolarHBondContact O-N 3.25Å; A334-R336 VanDerWaalsContact C-N 3.33Å; A334-R336 PolarHBondContact O-N 3.39Å; R336-A338 VanDerWaalsContact C-N 3.27Å; R336-A338 PolarHBondContact O-N 2.94Å; R336-A339 PolarHBondContact O-N 3.05Å; R336-S340 PolarHBondContact O-N 3.01Å; R336-S340 PolarHBondContact O-OG 3.42Å |
| 337 | Y | 82.9 | Confident | 82.5 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.5 | -29.7 | 179.2 | -71.3 | -64.1 | 0 | 0 | 0 | 112.8 | Q333 M341 V378 A379 W382 | Q333-Y337 WeakPolarHBondContact O-CD2 3.49Å; Q333-Y337 PolarHBondContact O-N 3.44Å; Q333-Y337 VanDerWaalsContact O-N 3.08Å; Y337-M341 WeakPolarHBondContact O-CB 3.37Å; Y337-M341 PolarHBondContact O-N 2.86Å; Y337-V378 HydrophobicContact CE1-CG1 4.12Å; Y337-A379 HydrophobicContact CD1-CB 4.09Å; Y337-W382 HydrophobicContact CD1-CB 4.48Å; Y337-W382 HydrophobicContact CD2-CB 4.24Å; Y337-W382 AromaticContact CD2-CD2 3.29Å; Y337-W382 HydrophobicContact CD2-CD2 3.29Å; Y337-W382 AromaticContact CD2-CE2 3.77Å; Y337-W382 AromaticContact CD2-CE3 3.3Å; Y337-W382 HydrophobicContact CD2-CE3 3.3Å; Y337-W382 AromaticContact CD2-CG 3.72Å; Y337-W382 HydrophobicContact CD2-CG 3.72Å; Y337-W382 HydrophobicContact CD2-CH2 4.22Å; Y337-W382 HydrophobicContact CD2-CZ2 4.22Å; Y337-W382 AromaticContact CD2-CZ3 3.79Å; Y337-W382 HydrophobicContact CD2-CZ3 3.79Å; Y337-W382 HydrophobicContact CE1-CB 4.13Å; Y337-W382 HydrophobicContact CE1-CG 4.43Å; Y337-W382 HydrophobicContact CE2-CB 3.87Å; Y337-W382 AromaticContact CE2-CD1 3.5Å; Y337-W382 AromaticContact CE2-CD2 3.32Å; Y337-W382 HydrophobicContact CE2-CD2 3.32Å; Y337-W382 AromaticContact CE2-CE2 3.61Å; Y337-W382 AromaticContact CE2-CE3 3.88Å; Y337-W382 HydrophobicContact CE2-CE3 3.88Å; Y337-W382 AromaticContact CE2-CG 3.29Å; Y337-W382 HydrophobicContact CE2-CG 3.29Å; Y337-W382 HydrophobicContact CE2-CZ2 4.35Å; Y337-W382 AromaticContact CE2-NE1 3.7Å; Y337-W382 HydrophobicContact CG-CD2 4.15Å; Y337-W382 AromaticContact CG-CE3 3.86Å; Y337-W382 HydrophobicContact CG-CE3 3.86Å; Y337-W382 HydrophobicContact CG-CG 4.44Å; Y337-W382 HydrophobicContact CG-CZ3 4.44Å; Y337-W382 AromaticContact CZ-CD1 3.9Å; Y337-W382 AromaticContact CZ-CG 3.69Å |
| 338 | A | 82.5 | Confident | 82.8 | Confident | 8 Ų | 8 | 50 Ų | 50 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A334 S335 R336 M341 E342 S410 | A334-A338 WeakPolarHBondContact O-CB 3.31Å; A334-A338 PolarHBondContact O-N 3.35Å; A334-A338 VanDerWaalsContact O-N 3.11Å; S335-A338 PolarHBondContact O-N 3.38Å; R336-A338 VanDerWaalsContact C-N 3.27Å; R336-A338 PolarHBondContact O-N 2.94Å; A338-M341 PolarHBondContact O-N 3.5Å; A338-E342 PolarHBondContact O-N 3.3Å; A338-E342 VanDerWaalsContact O-N 3.09Å; A338-S410 WeakPolarHBondContact CB-O 3.45Å |
| 339 | A | 84.4 | Confident | 82.9 | Confident | 59 Ų | 59 | 50.2 Ų | 50.2 | 49% | 0.488 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | S335 R336 M341 E342 S343 | S335-A339 PolarHBondContact O-N 3.24Å; R336-A339 PolarHBondContact O-N 3.05Å; A339-M341 VanDerWaalsContact C-N 3.34Å; A339-M341 PolarHBondContact O-N 3.18Å; A339-E342 PolarHBondContact O-N 3.1Å; A339-S343 PolarHBondContact O-N 3.3Å; A339-S343 PolarHBondContact O-OG 3.1Å |
| 340 | S | 82.6 | Confident | 83 | Confident | 37 Ų | 37 | 53.7 Ų | 53.7 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 173 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | R336 E342 S343 L344 | R336-S340 PolarHBondContact O-N 3.01Å; R336-S340 PolarHBondContact O-OG 3.42Å; S340-E342 PolarHBondContact O-N 3.48Å; S340-S343 PolarHBondContact O-N 2.94Å; S340-S343 PolarHBondContact O-OG 2.87Å; S340-L344 WeakPolarHBondContact O-CB 3.42Å; S340-L344 WeakPolarHBondContact O-CG 3.22Å; S340-L344 PolarHBondContact O-N 3.3Å |
| 341 | M | 79.8 | Confident | 83 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 6% | 0.064 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 179.6 | -172.4 | 167.1 | 62.7 | 0 | 0 | 113.2 | Y337 A338 A339 S343 R345 L383 I416 L420 | Y337-M341 WeakPolarHBondContact O-CB 3.37Å; Y337-M341 PolarHBondContact O-N 2.86Å; A338-M341 PolarHBondContact O-N 3.5Å; A339-M341 VanDerWaalsContact C-N 3.34Å; A339-M341 PolarHBondContact O-N 3.18Å; M341-S343 VanDerWaalsContact C-N 3.32Å; M341-S343 PolarHBondContact O-N 3.36Å; M341-R345 PolarHBondContact O-N 3.19Å; M341-L383 HydrophobicContact SD-CD1 3.93Å; M341-I416 HydrophobicContact CG-CG2 4.38Å; M341-I416 HydrophobicContact SD-CG2 4.15Å; M341-L420 HydrophobicContact CG-CD2 4.26Å |
| 342 | E | 83.1 | Confident | 82.7 | Confident | 124 Ų | 124 | 51.3 Ų | 51.3 | 58% | 0.579 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.3 | -35.6 | 175.2 | -73.9 | -178.2 | -172.6 | 0 | 0 | 112 | A338 A339 S340 P346 K411 | A338-E342 PolarHBondContact O-N 3.3Å; A338-E342 VanDerWaalsContact O-N 3.09Å; A339-E342 PolarHBondContact O-N 3.1Å; S340-E342 PolarHBondContact O-N 3.48Å; E342-P346 VanDerWaalsContact O-CD 3.24Å; E342-P346 WeakPolarHBondContact O-CD 3.29Å; E342-K411 IonicContact OE1-NZ 2.91Å; E342-K411 PolarHBondContact OE1-NZ 3.12Å |
| 343 | S | 85.2 | Confident | 82.4 | Confident | 54 Ų | 54 | 52 Ų | 52 | 38% | 0.378 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -82 | -40 | -179.9 | 72.3 | 0 | 0 | 0 | 0 | 114.5 | A339 S340 M341 P346 Q347 | A339-S343 PolarHBondContact O-N 3.3Å; A339-S343 PolarHBondContact O-OG 3.1Å; S340-S343 PolarHBondContact O-N 2.94Å; S340-S343 PolarHBondContact O-OG 2.87Å; M341-S343 VanDerWaalsContact C-N 3.32Å; M341-S343 PolarHBondContact O-N 3.36Å; S343-P346 WeakPolarHBondContact O-CD 3.43Å; S343-P346 WeakPolarHBondContact O-CG 3.37Å; S343-Q347 WeakPolarHBondContact O-CG 3.3Å |
| 344 | L | 82.6 | Confident | 81.6 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -74.5 | -36.5 | -172.1 | -70.8 | 168.1 | 0 | 0 | 0 | 112.4 | S340 Q347 V348 D375 A379 | S340-L344 WeakPolarHBondContact O-CB 3.42Å; S340-L344 WeakPolarHBondContact O-CG 3.22Å; S340-L344 PolarHBondContact O-N 3.3Å; L344-Q347 PolarHBondContact O-N 2.96Å; L344-V348 WeakPolarHBondContact O-CG2 3.24Å; L344-V348 PolarHBondContact O-N 3.04Å; L344-D375 HydrophobicContact CD1-CB 4.03Å; L344-D375 HydrophobicContact CD2-CB 3.9Å; L344-A379 HydrophobicContact CD1-CB 4.47Å |
| 345 | R | 80.9 | Confident | 80.7 | Confident | 81 Ų | 81 | 63 Ų | 63 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.8 | -54.8 | -178.7 | -177.4 | -177.6 | -178.4 | -155.4 | 1.8 | 113.8 | M341 Q347 V348 Q349 | M341-R345 PolarHBondContact O-N 3.19Å; R345-Q347 VanDerWaalsContact C-N 3.28Å; R345-Q347 PolarHBondContact O-N 3.45Å; R345-V348 PolarHBondContact O-N 3.05Å; R345-Q349 WeakPolarHBondContact O-CB 3.25Å; R345-Q349 WeakPolarHBondContact O-CG 3.19Å; R345-Q349 PolarHBondContact O-N 3.26Å; R345-Q349 VanDerWaalsContact O-N 3.08Å |
| 346 | P | 83.9 | Confident | 79.9 | Confident | 72 Ų | 72 | 64 Ų | 64 | 47% | 0.468 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.1 | -33 | 179.1 | 25.2 | -34.2 | 0 | 0 | 0 | 112.4 | E342 S343 Q349 Q350 | E342-P346 VanDerWaalsContact O-CD 3.24Å; E342-P346 WeakPolarHBondContact O-CD 3.29Å; S343-P346 WeakPolarHBondContact O-CD 3.43Å; S343-P346 WeakPolarHBondContact O-CG 3.37Å; P346-Q349 PolarHBondContact O-N 3.49Å; P346-Q350 WeakPolarHBondContact O-CB 3.4Å; P346-Q350 PolarHBondContact O-N 3.47Å |
| 347 | Q | 83.2 | Confident | 79.2 | Confident | 94 Ų | 94 | 61.9 Ų | 61.9 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64 | -49.8 | 177.5 | -68.8 | 177.1 | 6.8 | 0 | 0 | 111.6 | S343 L344 R345 Q349 Q350 L351 | S343-Q347 WeakPolarHBondContact O-CG 3.3Å; L344-Q347 PolarHBondContact O-N 2.96Å; R345-Q347 VanDerWaalsContact C-N 3.28Å; R345-Q347 PolarHBondContact O-N 3.45Å; Q347-Q349 VanDerWaalsContact C-N 3.34Å; Q347-Q349 PolarHBondContact O-N 3.46Å; Q347-Q350 PolarHBondContact O-N 2.92Å; Q347-L351 WeakPolarHBondContact O-CG 3.32Å; Q347-L351 PolarHBondContact O-N 2.93Å |
| 348 | V | 82.6 | Confident | 78.8 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.006 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 178.4 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | L344 R345 Q350 L351 L352 D423 F427 | L344-V348 WeakPolarHBondContact O-CG2 3.24Å; L344-V348 PolarHBondContact O-N 3.04Å; R345-V348 PolarHBondContact O-N 3.05Å; V348-Q350 VanDerWaalsContact C-N 3.32Å; V348-Q350 PolarHBondContact O-N 3.38Å; V348-L351 PolarHBondContact O-N 2.71Å; V348-L352 HydrophobicContact CG1-CD1 3.96Å; V348-L352 HydrophobicContact CG1-CG 4.38Å; V348-L352 WeakPolarHBondContact O-CB 3.46Å; V348-L352 VanDerWaalsContact O-CG 3.3Å; V348-L352 WeakPolarHBondContact O-CG 3.48Å; V348-L352 PolarHBondContact O-N 3.34Å; V348-D423 HydrophobicContact CG1-CB 3.86Å; V348-F427 HydrophobicContact CG1-CB 4.19Å |
| 349 | Q | 82.8 | Confident | 78.1 | Confident | 65 Ų | 65 | 72.3 Ų | 72.3 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 176.6 | -73.5 | -178.6 | -4.4 | 0 | 0 | 113.1 | R345 P346 Q347 L352 K353 D423 | R345-Q349 WeakPolarHBondContact O-CB 3.25Å; R345-Q349 WeakPolarHBondContact O-CG 3.19Å; R345-Q349 PolarHBondContact O-N 3.26Å; R345-Q349 VanDerWaalsContact O-N 3.08Å; P346-Q349 PolarHBondContact O-N 3.49Å; Q347-Q349 VanDerWaalsContact C-N 3.34Å; Q347-Q349 PolarHBondContact O-N 3.46Å; Q349-L352 PolarHBondContact O-N 2.97Å; Q349-K353 PolarHBondContact O-N 2.99Å; Q349-D423 WeakPolarHBondContact CG-OD2 3.26Å; Q349-D423 PolarHBondContact NE2-OD2 2.83Å |
| 350 | Q | 84.1 | Confident | 77.2 | Confident | 108 Ų | 108 | 73.9 Ų | 73.9 | 51% | 0.505 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 173.9 | -175.9 | 175.9 | 2.8 | 0 | 0 | 111.6 | P346 Q347 V348 L352 K353 | P346-Q350 WeakPolarHBondContact O-CB 3.4Å; P346-Q350 PolarHBondContact O-N 3.47Å; Q347-Q350 PolarHBondContact O-N 2.92Å; V348-Q350 VanDerWaalsContact C-N 3.32Å; V348-Q350 PolarHBondContact O-N 3.38Å; Q350-L352 PolarHBondContact O-N 3.32Å; Q350-K353 PolarHBondContact O-N 3.42Å |
| 351 | L | 79.9 | Confident | 76.5 | Confident | 24 Ų | 24 | 74.9 Ų | 74.9 | 13% | 0.126 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.7 | -32.2 | 176.3 | -69.7 | 167.9 | 0 | 0 | 0 | 112.3 | Q347 V348 F356 L357 L369 F427 | Q347-L351 WeakPolarHBondContact O-CG 3.32Å; Q347-L351 PolarHBondContact O-N 2.93Å; V348-L351 PolarHBondContact O-N 2.71Å; L351-F356 HydrophobicContact CD2-CD1 3.96Å; L351-F356 HydrophobicContact CD2-CE1 3.62Å; L351-L357 WeakPolarHBondContact O-CD1 3.46Å; L351-L357 WeakPolarHBondContact O-CG 3.47Å; L351-L369 HydrophobicContact CD1-CD2 4.41Å; L351-L369 HydrophobicContact CD2-CD2 3.93Å; L351-F427 HydrophobicContact CB-CD2 4.44Å; L351-F427 HydrophobicContact CB-CE2 4.32Å; L351-F427 HydrophobicContact CD1-CE1 4.18Å; L351-F427 HydrophobicContact CD1-CE2 4.25Å; L351-F427 HydrophobicContact CD1-CZ 3.91Å |
| 352 | L | 77.3 | Confident | 76.1 | Confident | 43 Ų | 43 | 74.3 Ų | 74.3 | 23% | 0.225 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -4.6 | 179.3 | -71.5 | 173.9 | 0 | 0 | 0 | 114.9 | V348 Q349 Q350 D423 Q426 F427 | V348-L352 HydrophobicContact CG1-CD1 3.96Å; V348-L352 HydrophobicContact CG1-CG 4.38Å; V348-L352 WeakPolarHBondContact O-CB 3.46Å; V348-L352 VanDerWaalsContact O-CG 3.3Å; V348-L352 WeakPolarHBondContact O-CG 3.48Å; V348-L352 PolarHBondContact O-N 3.34Å; Q349-L352 PolarHBondContact O-N 2.97Å; Q350-L352 PolarHBondContact O-N 3.32Å; L352-D423 HydrophobicContact CD1-CB 3.67Å; L352-D423 WeakPolarHBondContact CD1-O 3.09Å; L352-Q426 HydrophobicContact CD2-CB 4.22Å; L352-Q426 HydrophobicContact CD2-CG 3.86Å; L352-F427 HydrophobicContact CD2-CB 3.9Å; L352-F427 HydrophobicContact CG-CB 4.34Å |
| 353 | K | 79.8 | Confident | 75.4 | Confident | 144 Ų | 144 | 70 Ų | 70 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -65.5 | 137.4 | 175.3 | -73.7 | -177.4 | -178.9 | -179.6 | 0 | 110.2 | Q349 Q350 G355 F356 | Q349-K353 PolarHBondContact O-N 2.99Å; Q350-K353 PolarHBondContact O-N 3.42Å; K353-G355 PolarHBondContact O-N 3.11Å; K353-F356 WeakPolarHBondContact O-CB 3.49Å; K353-F356 PolarHBondContact O-N 2.93Å |
| 354 | E | 64.3 | Low | 74.7 | Confident | 202 Ų | 202 | 71.5 Ų | 71.5 | 94% | 0.944 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 130.7 | -179.3 | -68.5 | -175.7 | 170.2 | 0 | 0 | 111.4 | F356 | E354-F356 PolarHBondContact O-N 3.44Š|
| 355 | G | 61.8 | Low | 74.6 | Confident | 53 Ų | 53 | 73.2 Ų | 73.2 | 55% | 0.546 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -2.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | K353 R358 | K353-G355 PolarHBondContact O-N 3.11Å; G355-R358 PolarHBondContact O-NE 3.23Å; G355-R358 VanDerWaalsContact O-NE 3.17Å |
| 356 | F | 69.8 | Low | 74.4 | Confident | 76 Ų | 76 | 70.7 Ų | 70.7 | 33% | 0.333 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -47.4 | 176.8 | -165.6 | -90.3 | 0 | 0 | 0 | 112.6 | L351 K353 E354 R358 L361 | L351-F356 HydrophobicContact CD2-CD1 3.96Å; L351-F356 HydrophobicContact CD2-CE1 3.62Å; K353-F356 WeakPolarHBondContact O-CB 3.49Å; K353-F356 PolarHBondContact O-N 2.93Å; E354-F356 PolarHBondContact O-N 3.44Å; F356-R358 PolarHBondContact O-N 3.4Å; F356-L361 HydrophobicContact CD1-CD2 4.05Å; F356-L361 HydrophobicContact CE1-CD2 3.71Å; F356-L361 HydrophobicContact CZ-CD2 4.44Å |
| 357 | L | 70.9 | Confident | 74.2 | Confident | 28 Ų | 28 | 71.4 Ų | 71.4 | 15% | 0.147 | 36% | 0.355 | C | S | . | . | trans | -76.5 | 93.6 | 175.4 | -70.5 | 166.1 | 0 | 0 | 0 | 110.2 | L351 I362 F427 T430 M434 | L351-L357 WeakPolarHBondContact O-CD1 3.46Å; L351-L357 WeakPolarHBondContact O-CG 3.47Å; L357-I362 HydrophobicContact CD2-CD1 4.47Å; L357-I362 HydrophobicContact CD2-CG1 4.23Å; L357-F427 HydrophobicContact CD1-CD2 4.06Å; L357-F427 HydrophobicContact CD1-CE2 4.17Å; L357-F427 HydrophobicContact CD2-CE2 4.05Å; L357-T430 HydrophobicContact CD1-CG2 4.3Å; L357-M434 HydrophobicContact CB-SD 4.35Å | ||
| 358 | R | 73.7 | Confident | 74.3 | Confident | 168 Ų | 168 | 73.8 Ų | 73.8 | 63% | 0.634 | 36% | 0.364 | S | S | * | . | trans | -106.4 | 151.8 | 170.7 | -60.6 | -177.7 | -174.8 | -170.4 | -3.1 | 109.9 | G355 F356 E360 L361 I362 | G355-R358 PolarHBondContact O-NE 3.23Å; G355-R358 VanDerWaalsContact O-NE 3.17Å; F356-R358 PolarHBondContact O-N 3.4Å; R358-E360 PolarHBondContact O-N 2.94Å; R358-L361 PolarHBondContact O-N 2.8Å; R358-I362 WeakPolarHBondContact O-CG1 3.42Å; R358-I362 PolarHBondContact O-N 2.92Å; R358-I362 VanDerWaalsContact O-N 3.11Å | ||
| 359 | E | 66.8 | Low | 74.3 | Confident | 68 Ų | 68 | 74.2 Ų | 74.2 | 32% | 0.318 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -50 | -44.1 | 178.3 | -66.4 | -172.8 | 177.8 | 0 | 0 | 111.8 | L361 I362 L363 M434 M438 K445 | E359-L361 PolarHBondContact O-N 3.35Å; E359-I362 PolarHBondContact O-N 3.49Å; E359-L363 VanDerWaalsContact O-CG 3.31Å; E359-L363 WeakPolarHBondContact O-CG 3.36Å; E359-L363 PolarHBondContact O-N 2.97Å; E359-L363 VanDerWaalsContact O-N 3.13Å; E359-M434 HydrophobicContact CG-CE 4.29Å; E359-M438 HydrophobicContact CB-SD 4.23Å; E359-M438 HydrophobicContact CG-CG 4.47Å; E359-M438 HydrophobicContact CG-SD 4.25Å; E359-K445 IonicContact OE1-NZ 2.78Å; E359-K445 PolarHBondContact OE1-NZ 3.1Å; E359-K445 VanDerWaalsContact OE1-NZ 3.14Å; E359-K445 IonicContact OE2-NZ 3.65Å; E359-K445 PolarHBondContact OE2-NZ 2.73Å |
| 360 | E | 66.7 | Low | 74.2 | Confident | 92 Ų | 92 | 72 Ų | 72 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 179.8 | -60.3 | -175.1 | 155.5 | 0 | 0 | 113 | R358 I362 L363 D364 | R358-E360 PolarHBondContact O-N 2.94Å; E360-I362 VanDerWaalsContact C-N 3.34Å; E360-I362 PolarHBondContact O-N 3.43Å; E360-L363 PolarHBondContact O-N 3.17Å; E360-D364 PolarHBondContact O-N 3.01Å |
| 361 | L | 68.4 | Low | 74.3 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.6 | -33.8 | -178.9 | -169 | 109 | 0 | 0 | 0 | 112 | F356 R358 E359 N365 | F356-L361 HydrophobicContact CD1-CD2 4.05Å; F356-L361 HydrophobicContact CE1-CD2 3.71Å; F356-L361 HydrophobicContact CZ-CD2 4.44Å; R358-L361 PolarHBondContact O-N 2.8Å; E359-L361 PolarHBondContact O-N 3.35Å; L361-N365 WeakPolarHBondContact O-CB 3.48Å; L361-N365 PolarHBondContact O-N 2.76Å; L361-N365 PolarHBondContact O-ND2 2.92Å |
| 362 | I | 70.4 | Confident | 74.5 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.2 | -48.3 | 177.8 | -67.5 | 166.4 | 0 | 0 | 0 | 110 | L357 R358 E359 E360 D364 N365 I366 L369 L431 M434 F435 M438 | L357-I362 HydrophobicContact CD2-CD1 4.47Å; L357-I362 HydrophobicContact CD2-CG1 4.23Å; R358-I362 WeakPolarHBondContact O-CG1 3.42Å; R358-I362 PolarHBondContact O-N 2.92Å; R358-I362 VanDerWaalsContact O-N 3.11Å; E359-I362 PolarHBondContact O-N 3.49Å; E360-I362 VanDerWaalsContact C-N 3.34Å; E360-I362 PolarHBondContact O-N 3.43Å; I362-D364 VanDerWaalsContact C-N 3.26Å; I362-D364 PolarHBondContact O-N 2.91Å; I362-N365 PolarHBondContact O-N 3.14Å; I362-I366 WeakPolarHBondContact O-CG1 3.47Å; I362-I366 PolarHBondContact O-N 3.48Å; I362-I366 VanDerWaalsContact O-N 3.08Å; I362-L369 HydrophobicContact CB-CD1 4.3Å; I362-L369 HydrophobicContact CG1-CD1 4.16Å; I362-L369 HydrophobicContact CG2-CD1 4.18Å; I362-L431 HydrophobicContact CD1-CD1 3.92Å; I362-L431 HydrophobicContact CG1-CD1 4.04Å; I362-L431 HydrophobicContact CG2-CD1 3.77Å; I362-M434 HydrophobicContact CD1-CB 4.29Å; I362-M434 HydrophobicContact CD1-CE 3.32Å; I362-M434 HydrophobicContact CD1-SD 3.46Å; I362-M434 WeakPolarHBondContact CD1-SD 3.38Å; I362-F435 HydrophobicContact CG2-CD2 4.45Å; I362-F435 HydrophobicContact CG2-CE1 4.28Å; I362-F435 HydrophobicContact CG2-CE2 3.61Å; I362-F435 HydrophobicContact CG2-CZ 3.5Å; I362-F435 VanDerWaalsContact CG2-CZ 3.5Å; I362-M438 HydrophobicContact CG2-CE 4.01Å |
| 363 | L | 69.2 | Low | 74.9 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 18% | 0.178 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62 | -34.4 | -179.8 | -67.1 | 169.2 | 0 | 0 | 0 | 112.2 | E359 E360 M438 R543 I547 | E359-L363 VanDerWaalsContact O-CG 3.31Å; E359-L363 WeakPolarHBondContact O-CG 3.36Å; E359-L363 PolarHBondContact O-N 2.97Å; E359-L363 VanDerWaalsContact O-N 3.13Å; E360-L363 PolarHBondContact O-N 3.17Å; L363-M438 HydrophobicContact CD1-SD 4.4Å; L363-M438 HydrophobicContact CD2-SD 4.18Å; L363-M438 HydrophobicContact CG-SD 4.24Å; L363-R543 HydrophobicContact CB-CB 4.43Å; L363-R543 HydrophobicContact CD1-CB 4.17Å; L363-I547 HydrophobicContact CD2-CD1 3.75Å; L363-I547 HydrophobicContact CD2-CG1 3.52Å |
| 364 | D | 70.1 | Confident | 75.2 | Confident | 85 Ų | 85 | 61.6 Ų | 61.6 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -78.9 | -22.5 | 178.7 | -72 | -22 | 0 | 0 | 0 | 113.8 | E360 I362 R543 | E360-D364 PolarHBondContact O-N 3.01Å; I362-D364 VanDerWaalsContact C-N 3.26Å; I362-D364 PolarHBondContact O-N 2.91Å; D364-R543 IonicContact OD1-CZ 3Å; D364-R543 IonicContact OD1-NE 2.75Å; D364-R543 PolarHBondContact OD1-NE 2.85Å; D364-R543 IonicContact OD1-NH2 3.67Å; D364-R543 PolarHBondContact OD1-NH2 3.42Å; D364-R543 IonicContact OD2-CZ 3.33Å; D364-R543 IonicContact OD2-NH2 3.11Å; D364-R543 PolarHBondContact OD2-NH2 3.33Å |
| 365 | N | 79.5 | Confident | 76.2 | Confident | 41 Ų | 41 | 54.5 Ų | 54.5 | 22% | 0.219 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -124.9 | 23.2 | -172.3 | -65.9 | -69.6 | 0 | 0 | 0 | 114.7 | L361 I362 P367 K368 L369 | L361-N365 WeakPolarHBondContact O-CB 3.48Å; L361-N365 PolarHBondContact O-N 2.76Å; L361-N365 PolarHBondContact O-ND2 2.92Å; I362-N365 PolarHBondContact O-N 3.14Å; N365-P367 VanDerWaalsContact C-CD 3.46Å; N365-P367 VanDerWaalsContact C-N 3.34Å; N365-K368 HydrophobicContact CB-CB 4.42Å; N365-K368 PolarHBondContact O-N 3.13Å; N365-K368 PolarHBondContact OD1-NZ 3.33Å; N365-L369 HydrophobicContact CB-CG 4.47Å; N365-L369 WeakPolarHBondContact O-CG 3.48Å; N365-L369 PolarHBondContact O-N 3Å |
| 366 | I | 77.4 | Confident | 77.4 | Confident | 29 Ų | 29 | 52 Ų | 52 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -46.1 | -49.3 | 179.5 | -53.9 | -178.1 | 0 | 0 | 0 | 112.7 | I362 K368 L369 L370 F435 V551 | I362-I366 WeakPolarHBondContact O-CG1 3.47Å; I362-I366 PolarHBondContact O-N 3.48Å; I362-I366 VanDerWaalsContact O-N 3.08Å; I366-K368 VanDerWaalsContact C-N 3.35Å; I366-K368 PolarHBondContact O-N 3.45Å; I366-L369 PolarHBondContact O-N 3.33Å; I366-L370 HydrophobicContact CG2-CD1 3.84Å; I366-L370 HydrophobicContact CG2-CG 4.25Å; I366-L370 WeakPolarHBondContact O-CB 3.3Å; I366-L370 VanDerWaalsContact O-CG 3.32Å; I366-L370 WeakPolarHBondContact O-CG 3.15Å; I366-L370 PolarHBondContact O-N 3.49Å; I366-F435 HydrophobicContact CD1-CE1 4.17Å; I366-F435 HydrophobicContact CD1-CZ 4.12Å; I366-F435 HydrophobicContact CG1-CZ 4.08Å; I366-F435 HydrophobicContact CG2-CZ 4.37Å; I366-V551 HydrophobicContact CG2-CG1 4.21Å; I366-V551 HydrophobicContact CG2-CG2 4.3Å |
| 367 | P | 80.4 | Confident | 78.2 | Confident | 86 Ų | 86 | 48.7 Ų | 48.7 | 56% | 0.558 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.5 | -37.5 | -178.1 | -21.1 | 34.3 | 0 | 0 | 0 | 113.2 | N365 N371 | N365-P367 VanDerWaalsContact C-CD 3.46Å; N365-P367 VanDerWaalsContact C-N 3.34Å; P367-N371 WeakPolarHBondContact O-CB 3.39Å; P367-N371 PolarHBondContact O-N 3.37Å; P367-N371 PolarHBondContact O-ND2 3.18Å |
| 368 | K | 83.7 | Confident | 78.9 | Confident | 145 Ų | 145 | 47.4 Ų | 47.4 | 63% | 0.63 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -69.4 | -42.4 | 179.6 | -65.1 | -179 | -172.9 | 161.7 | 0 | 111.3 | N365 I366 N371 C372 | N365-K368 HydrophobicContact CB-CB 4.42Å; N365-K368 PolarHBondContact O-N 3.13Å; N365-K368 PolarHBondContact OD1-NZ 3.33Å; I366-K368 VanDerWaalsContact C-N 3.35Å; I366-K368 PolarHBondContact O-N 3.45Å; K368-N371 PolarHBondContact O-N 2.63Å; K368-C372 WeakPolarHBondContact O-CB 3.43Å; K368-C372 PolarHBondContact O-N 2.98Å |
| 369 | L | 83.1 | Confident | 79.5 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 177.6 | -63 | 172.9 | 0 | 0 | 0 | 111.1 | L351 I362 N365 I366 C372 L373 F427 L431 | L351-L369 HydrophobicContact CD1-CD2 4.41Å; L351-L369 HydrophobicContact CD2-CD2 3.93Å; I362-L369 HydrophobicContact CB-CD1 4.3Å; I362-L369 HydrophobicContact CG1-CD1 4.16Å; I362-L369 HydrophobicContact CG2-CD1 4.18Å; N365-L369 HydrophobicContact CB-CG 4.47Å; N365-L369 WeakPolarHBondContact O-CG 3.48Å; N365-L369 PolarHBondContact O-N 3Å; I366-L369 PolarHBondContact O-N 3.33Å; L369-C372 PolarHBondContact O-N 3.38Å; L369-L373 WeakPolarHBondContact O-CG 3.33Å; L369-L373 PolarHBondContact O-N 3.39Å; L369-F427 HydrophobicContact CB-CZ 4.36Å; L369-F427 HydrophobicContact CD2-CE2 4.32Å; L369-F427 HydrophobicContact CD2-CZ 3.82Å; L369-L431 HydrophobicContact CB-CD2 4.27Å; L369-L431 HydrophobicContact CD1-CD1 4.27Å |
| 370 | L | 81.3 | Confident | 80.4 | Confident | 19 Ų | 19 | 36.2 Ų | 36.2 | 10% | 0.099 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.9 | -39.7 | 176 | -70.3 | 177.2 | 0 | 0 | 0 | 112.7 | I366 L373 R374 V551 M555 | I366-L370 HydrophobicContact CG2-CD1 3.84Å; I366-L370 HydrophobicContact CG2-CG 4.25Å; I366-L370 WeakPolarHBondContact O-CB 3.3Å; I366-L370 VanDerWaalsContact O-CG 3.32Å; I366-L370 WeakPolarHBondContact O-CG 3.15Å; I366-L370 PolarHBondContact O-N 3.49Å; L370-L373 PolarHBondContact O-N 2.98Å; L370-R374 VanDerWaalsContact O-CG 3.28Å; L370-R374 WeakPolarHBondContact O-CG 3.27Å; L370-R374 PolarHBondContact O-N 2.66Å; L370-V551 HydrophobicContact CD1-CG1 4.17Å; L370-V551 HydrophobicContact CD2-CG1 4.2Å; L370-M555 HydrophobicContact CD2-CG 3.64Å; L370-M555 HydrophobicContact CD2-SD 4.41Å |
| 371 | N | 85.4 | Confident | 81.3 | Confident | 61 Ų | 61 | 32.9 Ų | 32.9 | 33% | 0.326 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.1 | -45.5 | 175.1 | -72.9 | -11 | 0 | 0 | 0 | 111.5 | P367 K368 L373 R374 D375 | P367-N371 WeakPolarHBondContact O-CB 3.39Å; P367-N371 PolarHBondContact O-N 3.37Å; P367-N371 PolarHBondContact O-ND2 3.18Å; K368-N371 PolarHBondContact O-N 2.63Å; N371-L373 VanDerWaalsContact C-N 3.29Å; N371-L373 PolarHBondContact O-N 3.27Å; N371-R374 WeakPolarHBondContact O-CB 3.37Å; N371-R374 PolarHBondContact O-N 3.33Å; N371-R374 VanDerWaalsContact O-N 3.1Å; N371-R374 PolarHBondContact OD1-NH1 3.36Å; N371-D375 PolarHBondContact O-N 3.33Å |
| 372 | C | 85.2 | Confident | 82.2 | Confident | 12 Ų | 12 | 30.2 Ų | 30.2 | 8% | 0.081 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.2 | -42.9 | 174.9 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | K368 L369 D375 C376 | K368-C372 WeakPolarHBondContact O-CB 3.43Å; K368-C372 PolarHBondContact O-N 2.98Å; L369-C372 PolarHBondContact O-N 3.38Å; C372-D375 PolarHBondContact O-N 3.44Å; C372-C376 WeakPolarHBondContact O-CB 3.17Å; C372-C376 PolarHBondContact O-N 2.97Å; C372-C376 PolarHBondContact O-SG 3.01Å |
| 373 | L | 84.4 | Confident | 82.8 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | 174.8 | -79.3 | 175.8 | 0 | 0 | 0 | 113.1 | L369 L370 N371 N377 F427 E428 L431 M555 | L369-L373 WeakPolarHBondContact O-CG 3.33Å; L369-L373 PolarHBondContact O-N 3.39Å; L370-L373 PolarHBondContact O-N 2.98Å; N371-L373 VanDerWaalsContact C-N 3.29Å; N371-L373 PolarHBondContact O-N 3.27Å; L373-N377 WeakPolarHBondContact O-CB 3.21Å; L373-N377 PolarHBondContact O-N 3.1Å; L373-N377 VanDerWaalsContact O-N 3.08Å; L373-N377 PolarHBondContact O-ND2 2.99Å; L373-F427 HydrophobicContact CD1-CE1 4.46Å; L373-F427 HydrophobicContact CD2-CD1 3.47Å; L373-F427 VanDerWaalsContact CD2-CD1 3.47Å; L373-F427 HydrophobicContact CD2-CE1 3.62Å; L373-F427 HydrophobicContact CD2-CG 4.47Å; L373-F427 HydrophobicContact CG-CD1 4.08Å; L373-F427 HydrophobicContact CG-CE1 3.68Å; L373-E428 HydrophobicContact CD2-CB 4.16Å; L373-L431 HydrophobicContact CD1-CD2 3.84Å; L373-M555 HydrophobicContact CD1-CE 3.82Å; L373-M555 HydrophobicContact CD1-CG 4.39Å |
| 374 | R | 86.9 | Confident | 83.5 | Confident | 22 Ų | 22 | 28.7 Ų | 28.7 | 8% | 0.083 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -50.9 | 176.8 | -72.3 | 166.9 | -177.9 | 131.5 | -0.3 | 110.6 | A247 Y248 L370 N371 C376 N377 V378 V558 | A247-R374 VanDerWaalsContact O-CZ 3.3Å; A247-R374 PolarHBondContact O-NE 3.1Å; A247-R374 PolarHBondContact O-NH2 3Å; Y248-R374 HydrophobicContact CD1-CG 4.39Å; Y248-R374 HydrophobicContact CE1-CG 4.37Å; L370-R374 VanDerWaalsContact O-CG 3.28Å; L370-R374 WeakPolarHBondContact O-CG 3.27Å; L370-R374 PolarHBondContact O-N 2.66Å; N371-R374 WeakPolarHBondContact O-CB 3.37Å; N371-R374 PolarHBondContact O-N 3.33Å; N371-R374 VanDerWaalsContact O-N 3.1Å; N371-R374 PolarHBondContact OD1-NH1 3.36Å; R374-C376 VanDerWaalsContact C-N 3.32Å; R374-C376 PolarHBondContact O-N 2.85Å; R374-N377 PolarHBondContact O-N 3.08Å; R374-V378 WeakPolarHBondContact O-CB 3.45Å; R374-V378 WeakPolarHBondContact O-CG2 3.36Å; R374-V378 PolarHBondContact O-N 2.95Å; R374-V558 HydrophobicContact CB-CG1 4.42Å; R374-V558 HydrophobicContact CG-CG1 3.96Å; R374-V558 HydrophobicContact CG-CG2 3.83Å |
| 375 | D | 85.4 | Confident | 84 | Confident | 52 Ų | 52 | 24.9 Ų | 24.9 | 28% | 0.278 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -60.5 | -42.2 | -178.1 | -61.6 | -19.2 | 0 | 0 | 0 | 111.3 | H253 L344 N371 C372 A379 | H253-D375 IonicContact CE1-OD1 3.93Å; H253-D375 PolarHBondContact CE1-OD1 3.4Å; H253-D375 IonicContact NE2-OD1 3.25Å; L344-D375 HydrophobicContact CD1-CB 4.03Å; L344-D375 HydrophobicContact CD2-CB 3.9Å; N371-D375 PolarHBondContact O-N 3.33Å; C372-D375 PolarHBondContact O-N 3.44Å; D375-A379 VanDerWaalsContact O-CB 3.27Å; D375-A379 WeakPolarHBondContact O-CB 3.46Å; D375-A379 PolarHBondContact O-N 2.9Å |
| 376 | C | 85.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.2 | -49 | 175.4 | -68.1 | 0 | 0 | 0 | 0 | 111.9 | C372 R374 A379 I380 T424 | C372-C376 WeakPolarHBondContact O-CB 3.17Å; C372-C376 PolarHBondContact O-N 2.97Å; C372-C376 PolarHBondContact O-SG 3.01Å; R374-C376 VanDerWaalsContact C-N 3.32Å; R374-C376 PolarHBondContact O-N 2.85Å; C376-A379 PolarHBondContact O-N 3.49Å; C376-I380 WeakPolarHBondContact O-CB 3.36Å; C376-I380 WeakPolarHBondContact O-CD1 3.37Å; C376-I380 WeakPolarHBondContact O-CG1 3.39Å; C376-I380 PolarHBondContact O-N 2.95Å; C376-T424 HydrophobicContact CB-CG2 3.72Å |
| 377 | N | 86.8 | Confident | 84.1 | Confident | 7 Ų | 7 | 22.2 Ų | 22.2 | 4% | 0.037 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.3 | -37.8 | -177 | -77.7 | -57.7 | 0 | 0 | 0 | 113.1 | L373 R374 R381 V558 K595 | L373-N377 WeakPolarHBondContact O-CB 3.21Å; L373-N377 PolarHBondContact O-N 3.1Å; L373-N377 VanDerWaalsContact O-N 3.08Å; L373-N377 PolarHBondContact O-ND2 2.99Å; R374-N377 PolarHBondContact O-N 3.08Å; N377-R381 WeakPolarHBondContact O-CB 3.24Å; N377-R381 PolarHBondContact O-N 3.01Å; N377-V558 HydrophobicContact CB-CG1 4.11Å; N377-V558 WeakPolarHBondContact CB-O 3.5Å; N377-V558 PolarHBondContact ND2-O 3.1Å; N377-K595 PolarHBondContact OD1-NZ 3.02Å |
| 378 | V | 86.4 | Confident | 83.8 | Confident | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.012 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.9 | -47.2 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | Y248 H253 T256 Y337 R374 R381 W382 | Y248-V378 HydrophobicContact CE1-CG2 4Å; H253-V378 HydrophobicContact CB-CG2 4.36Å; T256-V378 HydrophobicContact CG2-CG2 4.08Å; Y337-V378 HydrophobicContact CE1-CG1 4.12Å; R374-V378 WeakPolarHBondContact O-CB 3.45Å; R374-V378 WeakPolarHBondContact O-CG2 3.36Å; R374-V378 PolarHBondContact O-N 2.95Å; V378-R381 PolarHBondContact O-N 3.38Å; V378-W382 PolarHBondContact O-N 3.25Å |
| 379 | A | 85.3 | Confident | 83 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y337 L344 D375 C376 L383 | Y337-A379 HydrophobicContact CD1-CB 4.09Å; L344-A379 HydrophobicContact CD1-CB 4.47Å; D375-A379 VanDerWaalsContact O-CB 3.27Å; D375-A379 WeakPolarHBondContact O-CB 3.46Å; D375-A379 PolarHBondContact O-N 2.9Å; C376-A379 PolarHBondContact O-N 3.49Å; A379-L383 WeakPolarHBondContact O-CB 3.46Å; A379-L383 VanDerWaalsContact O-CG 3.3Å; A379-L383 WeakPolarHBondContact O-CG 3.33Å; A379-L383 PolarHBondContact O-N 2.59Å |
| 380 | I | 86.3 | Confident | 82 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 176.7 | -69.9 | 164 | 0 | 0 | 0 | 110.5 | C376 L383 M384 L417 L420 L421 T424 | C376-I380 WeakPolarHBondContact O-CB 3.36Å; C376-I380 WeakPolarHBondContact O-CD1 3.37Å; C376-I380 WeakPolarHBondContact O-CG1 3.39Å; C376-I380 PolarHBondContact O-N 2.95Å; I380-L383 PolarHBondContact O-N 2.93Å; I380-M384 HydrophobicContact CG2-CE 4.32Å; I380-M384 HydrophobicContact CG2-CG 4.2Å; I380-M384 HydrophobicContact CG2-SD 3.86Å; I380-M384 VanDerWaalsContact O-CB 3.3Å; I380-M384 WeakPolarHBondContact O-CB 3.4Å; I380-M384 WeakPolarHBondContact O-CG 3.38Å; I380-M384 PolarHBondContact O-N 3.12Å; I380-L417 HydrophobicContact CG1-CD1 4.27Å; I380-L420 HydrophobicContact CD1-CG 4.36Å; I380-L420 HydrophobicContact CG1-CD2 4.22Å; I380-L420 HydrophobicContact CG1-CG 4.42Å; I380-L421 HydrophobicContact CD1-CD1 4.3Å; I380-L421 HydrophobicContact CG2-CD1 3.96Å; I380-T424 HydrophobicContact CD1-CG2 4.24Å |
| 381 | R | 85.9 | Confident | 81 | Confident | 21 Ų | 21 | 21.2 Ų | 21.2 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.1 | -51.2 | -179.8 | -176.1 | -178.1 | -173.3 | 113.8 | 4 | 111.6 | N377 V378 M384 L385 Y563 | N377-R381 WeakPolarHBondContact O-CB 3.24Å; N377-R381 PolarHBondContact O-N 3.01Å; V378-R381 PolarHBondContact O-N 3.38Å; R381-M384 PolarHBondContact O-N 3.35Å; R381-L385 HydrophobicContact CG-CD1 3.89Å; R381-L385 WeakPolarHBondContact O-CB 3.3Å; R381-L385 WeakPolarHBondContact O-CG 3.49Å; R381-L385 PolarHBondContact O-N 3.46Å; R381-L385 VanDerWaalsContact O-N 3.09Å; R381-Y563 VanDerWaalsContact CA-CZ 3.5Å; R381-Y563 VanDerWaalsContact CA-OH 3.31Å; R381-Y563 WeakPolarHBondContact CA-OH 3.34Å; R381-Y563 HydrophobicContact CB-CE1 3.89Å; R381-Y563 HydrophobicContact CB-CE2 4.02Å; R381-Y563 HydrophobicContact CG-CD1 3.93Å; R381-Y563 HydrophobicContact CG-CD2 4.1Å; R381-Y563 HydrophobicContact CG-CE1 3.71Å; R381-Y563 HydrophobicContact CG-CE2 3.91Å; R381-Y563 HydrophobicContact CG-CG 4.11Å; R381-Y563 PolarHBondContact N-OH 2.95Å |
| 382 | W | 86.5 | Confident | 80 | Confident | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.4 | -46.9 | -177.2 | -168.7 | 93.8 | 0 | 0 | 0 | 111.5 | D293 W295 Q333 A334 Y337 V378 L385 H386 V406 | D293-W382 PolarHBondContact O-NE1 3.19Å; W295-W382 HydrophobicContact CH2-CZ2 4.13Å; Q333-W382 HydrophobicContact CB-CZ2 3.98Å; A334-W382 HydrophobicContact CB-CH2 4.17Å; Y337-W382 HydrophobicContact CD1-CB 4.48Å; Y337-W382 HydrophobicContact CD2-CB 4.24Å; Y337-W382 AromaticContact CD2-CD2 3.29Å; Y337-W382 HydrophobicContact CD2-CD2 3.29Å; Y337-W382 AromaticContact CD2-CE2 3.77Å; Y337-W382 AromaticContact CD2-CE3 3.3Å; Y337-W382 HydrophobicContact CD2-CE3 3.3Å; Y337-W382 AromaticContact CD2-CG 3.72Å; Y337-W382 HydrophobicContact CD2-CG 3.72Å; Y337-W382 HydrophobicContact CD2-CH2 4.22Å; Y337-W382 HydrophobicContact CD2-CZ2 4.22Å; Y337-W382 AromaticContact CD2-CZ3 3.79Å; Y337-W382 HydrophobicContact CD2-CZ3 3.79Å; Y337-W382 HydrophobicContact CE1-CB 4.13Å; Y337-W382 HydrophobicContact CE1-CG 4.43Å; Y337-W382 HydrophobicContact CE2-CB 3.87Å; Y337-W382 AromaticContact CE2-CD1 3.5Å; Y337-W382 AromaticContact CE2-CD2 3.32Å; Y337-W382 HydrophobicContact CE2-CD2 3.32Å; Y337-W382 AromaticContact CE2-CE2 3.61Å; Y337-W382 AromaticContact CE2-CE3 3.88Å; Y337-W382 HydrophobicContact CE2-CE3 3.88Å; Y337-W382 AromaticContact CE2-CG 3.29Å; Y337-W382 HydrophobicContact CE2-CG 3.29Å; Y337-W382 HydrophobicContact CE2-CZ2 4.35Å; Y337-W382 AromaticContact CE2-NE1 3.7Å; Y337-W382 HydrophobicContact CG-CD2 4.15Å; Y337-W382 AromaticContact CG-CE3 3.86Å; Y337-W382 HydrophobicContact CG-CE3 3.86Å; Y337-W382 HydrophobicContact CG-CG 4.44Å; Y337-W382 HydrophobicContact CG-CZ3 4.44Å; Y337-W382 AromaticContact CZ-CD1 3.9Å; Y337-W382 AromaticContact CZ-CG 3.69Å; V378-W382 PolarHBondContact O-N 3.25Å; W382-L385 PolarHBondContact O-N 2.89Å; W382-H386 AromaticContact CD1-CE1 3.55Å; W382-H386 AromaticContact CD1-ND1 3.62Å; W382-H386 AromaticContact CD2-ND1 3.61Å; W382-H386 AromaticContact CE2-CE1 3.81Å; W382-H386 AromaticContact CE2-ND1 3.52Å; W382-H386 AromaticContact CG-ND1 3.69Å; W382-H386 AromaticContact NE1-CE1 3.33Å; W382-H386 PolarHBondContact NE1-CE1 3.09Å; W382-H386 VanDerWaalsContact NE1-CE1 3.33Å; W382-H386 AromaticContact NE1-ND1 3.49Å; W382-H386 PolarHBondContact NE1-ND1 3.44Å; W382-H386 WeakPolarHBondContact O-CB 3.49Å; W382-H386 PolarHBondContact O-N 3.5Å; W382-H386 PolarHBondContact O-ND1 3.2Å; W382-V406 HydrophobicContact CH2-CG1 4.08Å; W382-V406 HydrophobicContact CZ3-CG1 4.32Å |
| 383 | L | 83.7 | Confident | 79 | Confident | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 180 | -70.7 | 170.3 | 0 | 0 | 0 | 112.2 | M341 A379 I380 S387 L417 | M341-L383 HydrophobicContact SD-CD1 3.93Å; A379-L383 WeakPolarHBondContact O-CB 3.46Å; A379-L383 VanDerWaalsContact O-CG 3.3Å; A379-L383 WeakPolarHBondContact O-CG 3.33Å; A379-L383 PolarHBondContact O-N 2.59Å; I380-L383 PolarHBondContact O-N 2.93Å; L383-S387 WeakPolarHBondContact O-CB 3.47Å; L383-S387 PolarHBondContact O-N 3.49Å; L383-S387 PolarHBondContact O-OG 3.25Å; L383-L417 HydrophobicContact CB-CD1 4.11Å; L383-L417 HydrophobicContact CB-CD2 4.07Å; L383-L417 HydrophobicContact CD1-CD1 4.03Å |
| 384 | M | 83.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65 | -43.9 | 178.5 | -78.8 | -169.6 | 157.6 | 0 | 0 | 112.6 | I380 R381 A388 L417 L421 Y563 A564 F571 | I380-M384 HydrophobicContact CG2-CE 4.32Å; I380-M384 HydrophobicContact CG2-CG 4.2Å; I380-M384 HydrophobicContact CG2-SD 3.86Å; I380-M384 VanDerWaalsContact O-CB 3.3Å; I380-M384 WeakPolarHBondContact O-CB 3.4Å; I380-M384 WeakPolarHBondContact O-CG 3.38Å; I380-M384 PolarHBondContact O-N 3.12Å; R381-M384 PolarHBondContact O-N 3.35Å; M384-A388 WeakPolarHBondContact O-CB 3.46Å; M384-A388 PolarHBondContact O-N 3.39Å; M384-L417 HydrophobicContact CG-CD2 3.98Å; M384-L421 HydrophobicContact CE-CD1 4.34Å; M384-L421 HydrophobicContact CE-CD2 3.67Å; M384-L421 HydrophobicContact CE-CG 4.46Å; M384-Y563 HydrophobicContact CB-CE2 4.21Å; M384-Y563 HydrophobicContact SD-CE2 4.18Å; M384-A564 HydrophobicContact SD-CB 3.99Å; M384-F571 HydrophobicContact CE-CD2 4.22Å; M384-F571 HydrophobicContact CE-CE2 3.81Å; M384-F571 HydrophobicContact CE-CZ 4.22Å; M384-F571 HydrophobicContact CG-CE2 4.43Å |
| 385 | L | 82.1 | Confident | 76.5 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.2 | -46.6 | -180 | -71.7 | 172 | 0 | 0 | 0 | 111.9 | V296 T304 R381 W382 S387 A388 Y563 I567 | V296-L385 HydrophobicContact CB-CB 4.48Å; V296-L385 HydrophobicContact CG1-CB 4.35Å; V296-L385 WeakPolarHBondContact CG1-O 3.29Å; T304-L385 HydrophobicContact CG2-CD2 4.46Å; R381-L385 HydrophobicContact CG-CD1 3.89Å; R381-L385 WeakPolarHBondContact O-CB 3.3Å; R381-L385 WeakPolarHBondContact O-CG 3.49Å; R381-L385 PolarHBondContact O-N 3.46Å; R381-L385 VanDerWaalsContact O-N 3.09Å; W382-L385 PolarHBondContact O-N 2.89Å; L385-S387 VanDerWaalsContact C-N 3.35Å; L385-S387 PolarHBondContact O-N 3.23Å; L385-A388 PolarHBondContact O-N 2.88Å; L385-Y563 HydrophobicContact CD2-CD2 4.33Å; L385-Y563 HydrophobicContact CG-CD2 4.22Å; L385-I567 HydrophobicContact CD2-CD1 3.8Å |
| 386 | H | 81.4 | Confident | 75.6 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -81 | -14.1 | -174.1 | -65.2 | 91.6 | 0 | 0 | 0 | 113.9 | N294 W295 W382 Y392 V406 | N294-H386 PolarHBondContact OD1-CE1 3.27Å; W295-H386 AromaticContact CD2-CD2 3.92Å; W295-H386 AromaticContact CD2-NE2 3.81Å; W295-H386 AromaticContact CE2-CD2 3.4Å; W295-H386 AromaticContact CE2-NE2 3.8Å; W295-H386 AromaticContact CZ2-CD2 3.6Å; W295-H386 PolarHBondContact N-NE2 3.4Å; W295-H386 AromaticContact NE1-CD2 3.51Å; W382-H386 AromaticContact CD1-CE1 3.55Å; W382-H386 AromaticContact CD1-ND1 3.62Å; W382-H386 AromaticContact CD2-ND1 3.61Å; W382-H386 AromaticContact CE2-CE1 3.81Å; W382-H386 AromaticContact CE2-ND1 3.52Å; W382-H386 AromaticContact CG-ND1 3.69Å; W382-H386 AromaticContact NE1-CE1 3.33Å; W382-H386 PolarHBondContact NE1-CE1 3.09Å; W382-H386 VanDerWaalsContact NE1-CE1 3.33Å; W382-H386 AromaticContact NE1-ND1 3.49Å; W382-H386 PolarHBondContact NE1-ND1 3.44Å; W382-H386 WeakPolarHBondContact O-CB 3.49Å; W382-H386 PolarHBondContact O-N 3.5Å; W382-H386 PolarHBondContact O-ND1 3.2Å; H386-Y392 WeakPolarHBondContact O-CE2 3.42Å; H386-Y392 PolarHBondContact O-OH 2.72Å; H386-V406 HydrophobicContact CB-CG1 4.18Å |
| 387 | S | 76.4 | Confident | 74.8 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -95.3 | -10.8 | 172 | 66.2 | 0 | 0 | 0 | 0 | 114.3 | L383 L385 E389 Y412 | L383-S387 WeakPolarHBondContact O-CB 3.47Å; L383-S387 PolarHBondContact O-N 3.49Å; L383-S387 PolarHBondContact O-OG 3.25Å; L385-S387 VanDerWaalsContact C-N 3.35Å; L385-S387 PolarHBondContact O-N 3.23Å; S387-E389 PolarHBondContact O-N 3.21Å; S387-Y412 PolarHBondContact OG-OH 3.33Å |
| 388 | A | 73.5 | Confident | 74.1 | Confident | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.033 | 21% | 0.21 | C | C | . | . | trans | -61.6 | 125.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | M384 L385 S390 A391 Y392 I567 | M384-A388 WeakPolarHBondContact O-CB 3.46Å; M384-A388 PolarHBondContact O-N 3.39Å; L385-A388 PolarHBondContact O-N 2.88Å; A388-S390 VanDerWaalsContact C-N 3.31Å; A388-S390 PolarHBondContact O-N 2.76Å; A388-A391 HydrophobicContact CB-CB 4.31Å; A388-A391 PolarHBondContact O-N 3.15Å; A388-Y392 WeakPolarHBondContact O-CD2 3.35Å; A388-I567 HydrophobicContact CB-CD1 4.16Å; A388-I567 HydrophobicContact CB-CG1 4.21Å; A388-I567 HydrophobicContact CB-CG2 4.21Å | ||
| 389 | E | 67.8 | Low | 73.3 | Confident | 149 Ų | 149 | 42 Ų | 42 | 70% | 0.696 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -67.1 | -32.8 | 178.9 | -59.9 | -167.9 | 151.1 | 0 | 0 | 112.8 | S387 A391 Y392 | S387-E389 PolarHBondContact O-N 3.21Å; E389-A391 PolarHBondContact O-N 2.96Å; E389-Y392 PolarHBondContact O-N 3.39Å |
| 390 | S | 63 | Low | 72.7 | Confident | 81 Ų | 81 | 47.8 Ų | 47.8 | 57% | 0.566 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -62.9 | -21.3 | 177.5 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | T304 A388 | T304-S390 PolarHBondContact OG1-OG 2.95Å; A388-S390 VanDerWaalsContact C-N 3.31Å; A388-S390 PolarHBondContact O-N 2.76Å |
| 391 | A | 60.4 | Low | 72.2 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -85.7 | -5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V296 N306 A388 E389 | V296-A391 HydrophobicContact CG1-CB 3.57Å; V296-A391 HydrophobicContact CG2-CB 4.2Å; N306-A391 WeakPolarHBondContact CB-O 3.38Å; N306-A391 PolarHBondContact ND2-O 3.25Å; A388-A391 HydrophobicContact CB-CB 4.31Å; A388-A391 PolarHBondContact O-N 3.15Å; E389-A391 PolarHBondContact O-N 2.96Å |
| 392 | Y | 64.4 | Low | 71.7 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -131.1 | 117.2 | -177 | -61.5 | -88.8 | 0 | 0 | 0 | 111.2 | W295 V296 N306 H386 A388 E389 L394 L399 K403 | W295-Y392 PolarHBondContact NE1-OH 3.32Å; V296-Y392 HydrophobicContact CG2-CE2 4.44Å; N306-Y392 WeakPolarHBondContact ND2-CD1 3.42Å; N306-Y392 WeakPolarHBondContact ND2-CE1 3.26Å; H386-Y392 WeakPolarHBondContact O-CE2 3.42Å; H386-Y392 PolarHBondContact O-OH 2.72Å; A388-Y392 WeakPolarHBondContact O-CD2 3.35Å; E389-Y392 PolarHBondContact O-N 3.39Å; Y392-L394 PolarHBondContact O-N 3.37Å; Y392-L399 HydrophobicContact CD1-CB 4.19Å; Y392-L399 HydrophobicContact CD1-CD2 4.39Å; Y392-K403 HydrophobicContact CD1-CB 4.11Å; Y392-K403 HydrophobicContact CD2-CB 4.4Å; Y392-K403 HydrophobicContact CD2-CD 3.86Å; Y392-K403 HydrophobicContact CD2-CG 4.15Å; Y392-K403 HydrophobicContact CE1-CB 4.1Å; Y392-K403 HydrophobicContact CE2-CB 4.4Å; Y392-K403 HydrophobicContact CE2-CD 4.37Å; Y392-K403 HydrophobicContact CE2-CG 4.17Å; Y392-K403 HydrophobicContact CG-CB 4.26Å; Y392-K403 HydrophobicContact CG-CD 4.05Å; Y392-K403 HydrophobicContact CG-CG 4.42Å |
| 393 | D | 62.7 | Low | 71.2 | Confident | 39 Ų | 39 | 54.7 Ų | 54.7 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | trans | -66.4 | 115.1 | 167.7 | -176.4 | 6.5 | 0 | 0 | 0 | 110 | N395 N396 | D393-N395 PolarHBondContact O-N 3.24Å; D393-N395 VanDerWaalsContact O-N 3.09Å; D393-N395 WeakPolarHBondContact OD1-CB 3.44Å; D393-N395 PolarHBondContact OD1-N 2.71Å; D393-N395 PolarHBondContact OD1-ND2 3.27Å; D393-N395 VanDerWaalsContact OD1-ND2 3.1Å; D393-N396 PolarHBondContact O-N 3.22Å; D393-N396 VanDerWaalsContact O-N 3.17Å | ||
| 394 | L | 59.4 | Low | 70.9 | Confident | 110 Ų | 110 | 58 Ų | 58 | 58% | 0.576 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -19.7 | -180 | -71.6 | 165.6 | 0 | 0 | 0 | 112.6 | Y392 R400 | Y392-L394 PolarHBondContact O-N 3.37Å; L394-R400 PolarHBondContact O-NE 2.95Å; L394-R400 PolarHBondContact O-NH2 2.91Å |
| 395 | N | 58.8 | Low | 70.8 | Confident | 112 Ų | 112 | 60.5 Ų | 60.5 | 60% | 0.599 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -16.9 | -179.1 | -62.6 | -53.6 | 0 | 0 | 0 | 113.7 | G207 D393 | G207-N395 WeakPolarHBondContact CA-ND2 3.32Å; D393-N395 PolarHBondContact O-N 3.24Å; D393-N395 VanDerWaalsContact O-N 3.09Å; D393-N395 WeakPolarHBondContact OD1-CB 3.44Å; D393-N395 PolarHBondContact OD1-N 2.71Å; D393-N395 PolarHBondContact OD1-ND2 3.27Å; D393-N395 VanDerWaalsContact OD1-ND2 3.1Å |
| 396 | N | 67.1 | Low | 70.6 | Confident | 51 Ų | 51 | 60.4 Ų | 60.4 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | trans | -94 | 113.2 | -178.2 | -166.5 | -22.4 | 0 | 0 | 0 | 111.8 | D393 R398 L399 R400 | D393-N396 PolarHBondContact O-N 3.22Å; D393-N396 VanDerWaalsContact O-N 3.17Å; N396-R398 VanDerWaalsContact C-N 3.3Å; N396-R398 PolarHBondContact O-N 3.29Å; N396-R398 PolarHBondContact OD1-N 3.37Å; N396-L399 HydrophobicContact CB-CB 4.17Å; N396-L399 HydrophobicContact CB-CD1 3.91Å; N396-L399 HydrophobicContact CB-CG 4.12Å; N396-L399 PolarHBondContact O-N 2.9Å; N396-R400 PolarHBondContact O-N 2.86Å; N396-R400 VanDerWaalsContact O-N 3.11Å | ||
| 397 | K | 70.1 | Confident | 70.5 | Confident | 175 Ų | 175 | 62.5 Ų | 62.5 | 76% | 0.761 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -57.7 | -37.5 | -176.8 | -71 | -176.1 | 178.8 | 179.8 | 0 | 113.5 | Q401 | K397-Q401 WeakPolarHBondContact O-CG 3.46Å; K397-Q401 PolarHBondContact O-N 3.2Å; K397-Q401 VanDerWaalsContact O-N 3.12Å |
| 398 | R | 71.9 | Confident | 70.7 | Confident | 100 Ų | 100 | 67.6 Ų | 67.6 | 38% | 0.377 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.6 | -41.1 | -178.2 | -174.1 | 178.1 | -179.7 | -169.2 | -1.5 | 111.6 | N322 N396 Q401 I402 | N322-R398 PolarHBondContact OD1-NH2 3.49Å; N396-R398 VanDerWaalsContact C-N 3.3Å; N396-R398 PolarHBondContact O-N 3.29Å; N396-R398 PolarHBondContact OD1-N 3.37Å; R398-Q401 PolarHBondContact O-N 3.42Å; R398-I402 HydrophobicContact CG-CD1 4.29Å; R398-I402 WeakPolarHBondContact O-CG1 3.32Å; R398-I402 PolarHBondContact O-N 2.82Å; R398-I402 VanDerWaalsContact O-N 3.15Å |
| 399 | L | 69.4 | Low | 71 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 177.4 | -71.6 | -179.2 | 0 | 0 | 0 | 111.8 | V308 E309 Y392 N396 I402 K403 | V308-L399 HydrophobicContact CB-CD2 3.72Å; V308-L399 HydrophobicContact CG1-CD2 3.71Å; V308-L399 HydrophobicContact CG2-CD2 4.31Å; E309-L399 HydrophobicContact CB-CD1 4.46Å; Y392-L399 HydrophobicContact CD1-CB 4.19Å; Y392-L399 HydrophobicContact CD1-CD2 4.39Å; N396-L399 HydrophobicContact CB-CB 4.17Å; N396-L399 HydrophobicContact CB-CD1 3.91Å; N396-L399 HydrophobicContact CB-CG 4.12Å; N396-L399 PolarHBondContact O-N 2.9Å; L399-I402 PolarHBondContact O-N 3.38Å; L399-K403 WeakPolarHBondContact O-CB 3.13Å; L399-K403 PolarHBondContact O-N 2.73Å |
| 400 | R | 72.6 | Confident | 71.2 | Confident | 122 Ų | 122 | 62.5 Ų | 62.5 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 175.1 | -167.3 | -177 | -69.3 | -166.8 | -4.7 | 111.8 | L394 N396 I402 K403 D404 | L394-R400 PolarHBondContact O-NE 2.95Å; L394-R400 PolarHBondContact O-NH2 2.91Å; N396-R400 PolarHBondContact O-N 2.86Å; N396-R400 VanDerWaalsContact O-N 3.11Å; R400-I402 PolarHBondContact O-N 3.1Å; R400-K403 PolarHBondContact O-N 3.05Å; R400-D404 WeakPolarHBondContact O-CB 3.35Å; R400-D404 PolarHBondContact O-N 3.27Å |
| 401 | Q | 76.8 | Confident | 71.9 | Confident | 134 Ų | 134 | 65.5 Ų | 65.5 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.2 | -42.8 | 177.1 | -75.1 | 174.3 | -16 | 0 | 0 | 112.9 | K397 R398 D404 Q405 | K397-Q401 WeakPolarHBondContact O-CG 3.46Å; K397-Q401 PolarHBondContact O-N 3.2Å; K397-Q401 VanDerWaalsContact O-N 3.12Å; R398-Q401 PolarHBondContact O-N 3.42Å; Q401-D404 PolarHBondContact O-N 3.03Å; Q401-Q405 WeakPolarHBondContact O-CB 3.41Å; Q401-Q405 PolarHBondContact O-N 3.42Å |
| 402 | I | 74.7 | Confident | 72.6 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 176.4 | -67.7 | 164.2 | 0 | 0 | 0 | 110.2 | W295 L325 I330 R398 L399 R400 Q405 V406 | W295-I402 HydrophobicContact CZ2-CG2 4.31Å; L325-I402 HydrophobicContact CD2-CD1 4.34Å; I330-I402 HydrophobicContact CD1-CG2 4.3Å; R398-I402 HydrophobicContact CG-CD1 4.29Å; R398-I402 WeakPolarHBondContact O-CG1 3.32Å; R398-I402 PolarHBondContact O-N 2.82Å; R398-I402 VanDerWaalsContact O-N 3.15Å; L399-I402 PolarHBondContact O-N 3.38Å; R400-I402 PolarHBondContact O-N 3.1Å; I402-Q405 PolarHBondContact O-N 3.02Å; I402-V406 VanDerWaalsContact O-CG2 3.25Å; I402-V406 WeakPolarHBondContact O-CG2 2.99Å; I402-V406 PolarHBondContact O-N 2.77Å |
| 403 | K | 76.3 | Confident | 73.3 | Confident | 21 Ų | 21 | 70.4 Ų | 70.4 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 177 | -174.6 | -175.6 | 179 | -177 | 0 | 111.8 | Y392 L399 R400 Q405 V406 L407 | Y392-K403 HydrophobicContact CD1-CB 4.11Å; Y392-K403 HydrophobicContact CD2-CB 4.4Å; Y392-K403 HydrophobicContact CD2-CD 3.86Å; Y392-K403 HydrophobicContact CD2-CG 4.15Å; Y392-K403 HydrophobicContact CE1-CB 4.1Å; Y392-K403 HydrophobicContact CE2-CB 4.4Å; Y392-K403 HydrophobicContact CE2-CD 4.37Å; Y392-K403 HydrophobicContact CE2-CG 4.17Å; Y392-K403 HydrophobicContact CG-CB 4.26Å; Y392-K403 HydrophobicContact CG-CD 4.05Å; Y392-K403 HydrophobicContact CG-CG 4.42Å; L399-K403 WeakPolarHBondContact O-CB 3.13Å; L399-K403 PolarHBondContact O-N 2.73Å; R400-K403 PolarHBondContact O-N 3.05Å; K403-Q405 VanDerWaalsContact C-N 3.28Å; K403-Q405 PolarHBondContact O-N 2.93Å; K403-V406 PolarHBondContact O-N 3.49Å; K403-L407 HydrophobicContact CG-CD1 3.98Å; K403-L407 HydrophobicContact CG-CG 4.36Å; K403-L407 WeakPolarHBondContact O-CB 3.45Å; K403-L407 VanDerWaalsContact O-CG 3.29Å; K403-L407 WeakPolarHBondContact O-CG 3.49Å; K403-L407 PolarHBondContact O-N 3.47Å |
| 404 | D | 77.9 | Confident | 74 | Confident | 74 Ų | 74 | 70.7 Ų | 70.7 | 40% | 0.396 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 179.7 | -67.9 | -20.8 | 0 | 0 | 0 | 111 | R400 Q401 N408 | R400-D404 WeakPolarHBondContact O-CB 3.35Å; R400-D404 PolarHBondContact O-N 3.27Å; Q401-D404 PolarHBondContact O-N 3.03Å; D404-N408 VanDerWaalsContact O-CB 3.3Å; D404-N408 WeakPolarHBondContact O-CB 3.44Å; D404-N408 PolarHBondContact O-N 3.16Å; D404-N408 PolarHBondContact O-ND2 3.29Å |
| 405 | Q | 79.4 | Confident | 75.1 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 24% | 0.238 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.4 | -49 | 174.3 | -172.4 | 179.6 | -3.3 | 0 | 0 | 111.4 | S327 I330 Q401 I402 K403 L407 N408 D409 | S327-Q405 PolarHBondContact O-NE2 3.02Å; S327-Q405 VanDerWaalsContact O-NE2 3.07Å; I330-Q405 HydrophobicContact CG2-CG 4.15Å; Q401-Q405 WeakPolarHBondContact O-CB 3.41Å; Q401-Q405 PolarHBondContact O-N 3.42Å; I402-Q405 PolarHBondContact O-N 3.02Å; K403-Q405 VanDerWaalsContact C-N 3.28Å; K403-Q405 PolarHBondContact O-N 2.93Å; Q405-L407 PolarHBondContact O-N 3.38Å; Q405-N408 PolarHBondContact O-N 3.47Å; Q405-D409 WeakPolarHBondContact CG-OD2 3.42Å; Q405-D409 VanDerWaalsContact O-CB 3.32Å; Q405-D409 WeakPolarHBondContact O-CB 3.34Å; Q405-D409 PolarHBondContact O-N 3.06Å |
| 406 | V | 78.9 | Confident | 76.1 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 177.6 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | W295 I330 W382 H386 I402 K403 S410 | W295-V406 HydrophobicContact CH2-CG2 4.36Å; W295-V406 HydrophobicContact CZ2-CG2 3.73Å; I330-V406 HydrophobicContact CG2-CG2 3.78Å; W382-V406 HydrophobicContact CH2-CG1 4.08Å; W382-V406 HydrophobicContact CZ3-CG1 4.32Å; H386-V406 HydrophobicContact CB-CG1 4.18Å; I402-V406 VanDerWaalsContact O-CG2 3.25Å; I402-V406 WeakPolarHBondContact O-CG2 2.99Å; I402-V406 PolarHBondContact O-N 2.77Å; K403-V406 PolarHBondContact O-N 3.49Å; V406-S410 WeakPolarHBondContact O-CB 3.15Å; V406-S410 PolarHBondContact O-N 2.73Å; V406-S410 PolarHBondContact O-OG 3.18Å |
| 407 | L | 79.2 | Confident | 76.9 | Confident | 44 Ų | 44 | 66.6 Ų | 66.6 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66 | -40.8 | -177.7 | -69.6 | 176.1 | 0 | 0 | 0 | 112.4 | K403 Q405 S410 K411 Y412 | K403-L407 HydrophobicContact CG-CD1 3.98Å; K403-L407 HydrophobicContact CG-CG 4.36Å; K403-L407 WeakPolarHBondContact O-CB 3.45Å; K403-L407 VanDerWaalsContact O-CG 3.29Å; K403-L407 WeakPolarHBondContact O-CG 3.49Å; K403-L407 PolarHBondContact O-N 3.47Å; Q405-L407 PolarHBondContact O-N 3.38Å; L407-S410 PolarHBondContact O-OG 3.38Å; L407-K411 PolarHBondContact O-N 2.74Å; L407-Y412 HydrophobicContact CD2-CD1 3.51Å; L407-Y412 HydrophobicContact CD2-CE1 4.21Å; L407-Y412 HydrophobicContact CD2-CG 3.78Å; L407-Y412 PolarHBondContact O-N 2.82Å |
| 408 | N | 80.8 | Confident | 77.6 | Confident | 121 Ų | 121 | 58.5 Ų | 58.5 | 65% | 0.647 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69.8 | -49.1 | 178.7 | -71.2 | -28.2 | 0 | 0 | 0 | 111.6 | D404 Q405 S410 K411 | D404-N408 VanDerWaalsContact O-CB 3.3Å; D404-N408 WeakPolarHBondContact O-CB 3.44Å; D404-N408 PolarHBondContact O-N 3.16Å; D404-N408 PolarHBondContact O-ND2 3.29Å; Q405-N408 PolarHBondContact O-N 3.47Å; N408-S410 VanDerWaalsContact C-N 3.33Å; N408-S410 PolarHBondContact O-N 3.48Å; N408-K411 PolarHBondContact O-N 3.43Å |
| 409 | D | 79.3 | Confident | 78.2 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 24% | 0.241 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.3 | -29.1 | -176.3 | -69.9 | -22.6 | 0 | 0 | 0 | 111.9 | A334 Q405 K411 | A334-D409 HydrophobicContact CB-CB 3.68Å; Q405-D409 WeakPolarHBondContact CG-OD2 3.42Å; Q405-D409 VanDerWaalsContact O-CB 3.32Å; Q405-D409 WeakPolarHBondContact O-CB 3.34Å; Q405-D409 PolarHBondContact O-N 3.06Å; D409-K411 VanDerWaalsContact C-N 3.33Å |
| 410 | S | 72.7 | Confident | 78.9 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -3.8 | 175.4 | 65 | 0 | 0 | 0 | 0 | 114.5 | A338 V406 L407 N408 Y412 | A338-S410 WeakPolarHBondContact CB-O 3.45Å; V406-S410 WeakPolarHBondContact O-CB 3.15Å; V406-S410 PolarHBondContact O-N 2.73Å; V406-S410 PolarHBondContact O-OG 3.18Å; L407-S410 PolarHBondContact O-OG 3.38Å; N408-S410 VanDerWaalsContact C-N 3.33Å; N408-S410 PolarHBondContact O-N 3.48Å; S410-Y412 PolarHBondContact O-N 3.3Å |
| 411 | K | 76.8 | Confident | 79.6 | Confident | 143 Ų | 143 | 50.8 Ų | 50.8 | 62% | 0.622 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 45 | -171.3 | -57.7 | 179.6 | -170.5 | 167.6 | 0 | 112.1 | E342 L407 N408 D409 N413 | E342-K411 IonicContact OE1-NZ 2.91Å; E342-K411 PolarHBondContact OE1-NZ 3.12Å; L407-K411 PolarHBondContact O-N 2.74Å; N408-K411 PolarHBondContact O-N 3.43Å; D409-K411 VanDerWaalsContact C-N 3.33Å; K411-N413 PolarHBondContact O-N 3.31Å |
| 412 | Y | 76.4 | Confident | 80.1 | Confident | 54 Ų | 54 | 44.5 Ų | 44.5 | 21% | 0.212 | 21% | 0.214 | C | C | . | . | trans | -60.5 | 124.6 | -168.2 | 178.3 | -111.6 | 0 | 0 | 0 | 112.5 | S387 L407 S410 P414 L417 | S387-Y412 PolarHBondContact OG-OH 3.33Å; L407-Y412 HydrophobicContact CD2-CD1 3.51Å; L407-Y412 HydrophobicContact CD2-CE1 4.21Å; L407-Y412 HydrophobicContact CD2-CG 3.78Å; L407-Y412 PolarHBondContact O-N 2.82Å; S410-Y412 PolarHBondContact O-N 3.3Å; Y412-P414 HydrophobicContact CD1-CG 4.2Å; Y412-P414 HydrophobicContact CE1-CB 4.35Å; Y412-P414 HydrophobicContact CE1-CG 3.54Å; Y412-L417 HydrophobicContact CE2-CB 4.39Å; Y412-L417 HydrophobicContact CE2-CD2 3.71Å | ||
| 413 | N | 78.4 | Confident | 80.7 | Confident | 64 Ų | 64 | 44 Ų | 44 | 34% | 0.342 | 21% | 0.212 | S | C | . | . | trans | -126.8 | 111 | 169.5 | -172 | -30.3 | 0 | 0 | 0 | 109.8 | K411 R415 I416 L417 | K411-N413 PolarHBondContact O-N 3.31Å; N413-R415 PolarHBondContact O-N 3.08Å; N413-R415 VanDerWaalsContact O-N 3.16Å; N413-R415 PolarHBondContact OD1-N 3.48Å; N413-I416 HydrophobicContact CB-CB 4.13Å; N413-I416 HydrophobicContact CB-CD1 3.81Å; N413-I416 HydrophobicContact CB-CG1 3.89Å; N413-I416 PolarHBondContact O-N 3.17Å; N413-L417 PolarHBondContact O-N 3.33Å; N413-L417 VanDerWaalsContact O-N 3.1Å | ||
| 414 | P | 78.2 | Confident | 81.2 | Confident | 46 Ų | 46 | 43 Ų | 43 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -53.2 | -36.7 | -179.4 | -25.4 | 29.6 | 0 | 0 | 0 | 114.1 | Y412 F418 F571 I574 | Y412-P414 HydrophobicContact CD1-CG 4.2Å; Y412-P414 HydrophobicContact CE1-CB 4.35Å; Y412-P414 HydrophobicContact CE1-CG 3.54Å; P414-F418 WeakPolarHBondContact O-CB 3.36Å; P414-F418 PolarHBondContact O-N 2.87Å; P414-F571 HydrophobicContact CB-CE1 4.41Å; P414-I574 HydrophobicContact CB-CD1 3.49Å; P414-I574 VanDerWaalsContact CB-CD1 3.49Å |
| 415 | R | 81.1 | Confident | 81.7 | Confident | 139 Ų | 139 | 39.6 Ų | 39.6 | 53% | 0.525 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -70 | -36.2 | -179.3 | -67.2 | -176.1 | 173.9 | -170.7 | -4.5 | 112 | N413 Q419 I574 E577 | N413-R415 PolarHBondContact O-N 3.08Å; N413-R415 VanDerWaalsContact O-N 3.16Å; N413-R415 PolarHBondContact OD1-N 3.48Å; R415-Q419 WeakPolarHBondContact O-CB 3.48Å; R415-Q419 PolarHBondContact O-N 3.38Å; R415-I574 HydrophobicContact CG-CG2 4.13Å; R415-E577 IonicContact CZ-OE1 2.69Å; R415-E577 IonicContact CZ-OE2 3.76Å; R415-E577 IonicContact NH2-OE1 3.58Å; R415-E577 PolarHBondContact NH2-OE1 3.26Å; R415-E577 IonicContact NH2-OE2 2.69Å; R415-E577 PolarHBondContact NH2-OE2 3.42Å |
| 416 | I | 81.3 | Confident | 82 | Confident | 47 Ų | 47 | 39 Ų | 39 | 24% | 0.241 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73 | -45.2 | 179.7 | -61 | 179.8 | 0 | 0 | 0 | 110.1 | M341 N413 F418 Q419 L420 | M341-I416 HydrophobicContact CG-CG2 4.38Å; M341-I416 HydrophobicContact SD-CG2 4.15Å; N413-I416 HydrophobicContact CB-CB 4.13Å; N413-I416 HydrophobicContact CB-CD1 3.81Å; N413-I416 HydrophobicContact CB-CG1 3.89Å; N413-I416 PolarHBondContact O-N 3.17Å; I416-F418 VanDerWaalsContact C-N 3.3Å; I416-F418 PolarHBondContact O-N 3.14Å; I416-Q419 PolarHBondContact O-N 3.41Å; I416-L420 PolarHBondContact O-N 3.35Å |
| 417 | L | 83.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 174.5 | 177.1 | 62.3 | 0 | 0 | 0 | 110.9 | I380 L383 M384 Y412 N413 Q419 L420 L421 F571 | I380-L417 HydrophobicContact CG1-CD1 4.27Å; L383-L417 HydrophobicContact CB-CD1 4.11Å; L383-L417 HydrophobicContact CB-CD2 4.07Å; L383-L417 HydrophobicContact CD1-CD1 4.03Å; M384-L417 HydrophobicContact CG-CD2 3.98Å; Y412-L417 HydrophobicContact CE2-CB 4.39Å; Y412-L417 HydrophobicContact CE2-CD2 3.71Å; N413-L417 PolarHBondContact O-N 3.33Å; N413-L417 VanDerWaalsContact O-N 3.1Å; L417-Q419 PolarHBondContact O-N 3.46Å; L417-L420 PolarHBondContact O-N 2.97Å; L417-L421 PolarHBondContact O-N 3.38Å; L417-F571 HydrophobicContact CD2-CE1 4.42Å; L417-F571 HydrophobicContact CD2-CZ 3.96Å |
| 418 | F | 83.9 | Confident | 82.7 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 2% | 0.022 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 176.9 | 175.8 | -114.5 | 0 | 0 | 0 | 112.3 | P414 I416 L420 L421 L422 F571 I574 M575 L589 | P414-F418 WeakPolarHBondContact O-CB 3.36Å; P414-F418 PolarHBondContact O-N 2.87Å; I416-F418 VanDerWaalsContact C-N 3.3Å; I416-F418 PolarHBondContact O-N 3.14Å; F418-L420 PolarHBondContact O-N 3Å; F418-L421 WeakPolarHBondContact O-CB 3.31Å; F418-L421 PolarHBondContact O-N 3.08Å; F418-L422 HydrophobicContact CD1-CD1 4.07Å; F418-L422 HydrophobicContact CD2-CG 4.4Å; F418-L422 HydrophobicContact CE1-CD1 3.44Å; F418-L422 VanDerWaalsContact CE1-CD1 3.44Å; F418-L422 HydrophobicContact CE1-CG 4.08Å; F418-L422 HydrophobicContact CE2-CD1 4.13Å; F418-L422 HydrophobicContact CE2-CD2 3.92Å; F418-L422 HydrophobicContact CE2-CG 3.85Å; F418-L422 HydrophobicContact CZ-CD1 3.45Å; F418-L422 VanDerWaalsContact CZ-CD1 3.45Å; F418-L422 HydrophobicContact CZ-CD2 3.76Å; F418-L422 HydrophobicContact CZ-CG 3.67Å; F418-L422 WeakPolarHBondContact O-CG 3.36Å; F418-L422 PolarHBondContact O-N 2.93Å; F418-F571 HydrophobicContact CB-CD1 4.18Å; F418-I574 HydrophobicContact CB-CG2 4.45Å; F418-I574 HydrophobicContact CD1-CG2 3.79Å; F418-I574 HydrophobicContact CE1-CG2 4.39Å; F418-I574 HydrophobicContact CG-CG2 4.23Å; F418-M575 HydrophobicContact CD2-CE 4.23Å; F418-M575 HydrophobicContact CD2-CG 4.31Å; F418-M575 HydrophobicContact CE1-CG 4.26Å; F418-M575 HydrophobicContact CE2-CE 3.53Å; F418-M575 HydrophobicContact CE2-CG 3.38Å; F418-M575 HydrophobicContact CE2-SD 4.29Å; F418-M575 HydrophobicContact CZ-CB 4.16Å; F418-M575 HydrophobicContact CZ-CE 4.39Å; F418-M575 HydrophobicContact CZ-CG 3.35Å; F418-L589 HydrophobicContact CE2-CD2 4.47Å; F418-L589 HydrophobicContact CZ-CD2 4.07Å |
| 419 | Q | 84.1 | Confident | 83 | Confident | 61 Ų | 61 | 33.9 Ų | 33.9 | 29% | 0.285 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.4 | -41.2 | 175.6 | -174.2 | 172 | 11.2 | 0 | 0 | 112.1 | R415 I416 L417 L421 L422 D423 | R415-Q419 WeakPolarHBondContact O-CB 3.48Å; R415-Q419 PolarHBondContact O-N 3.38Å; I416-Q419 PolarHBondContact O-N 3.41Å; L417-Q419 PolarHBondContact O-N 3.46Å; Q419-L421 VanDerWaalsContact C-N 3.33Å; Q419-L421 PolarHBondContact O-N 3.31Å; Q419-L422 PolarHBondContact O-N 3.04Å; Q419-D423 WeakPolarHBondContact O-CB 3.34Å; Q419-D423 PolarHBondContact O-N 2.56Å |
| 420 | L | 85.7 | Confident | 83.3 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 175.4 | -177.9 | 65.4 | 0 | 0 | 0 | 111.3 | M341 I380 I416 L417 F418 T424 | M341-L420 HydrophobicContact CG-CD2 4.26Å; I380-L420 HydrophobicContact CD1-CG 4.36Å; I380-L420 HydrophobicContact CG1-CD2 4.22Å; I380-L420 HydrophobicContact CG1-CG 4.42Å; I416-L420 PolarHBondContact O-N 3.35Å; L417-L420 PolarHBondContact O-N 2.97Å; F418-L420 PolarHBondContact O-N 3Å; L420-T424 WeakPolarHBondContact O-CB 3.24Å; L420-T424 PolarHBondContact O-N 3.24Å; L420-T424 PolarHBondContact O-OG1 3.42Å |
| 421 | L | 87.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.3 | -48.8 | 174.5 | 177.2 | 74.3 | 0 | 0 | 0 | 111.6 | I380 M384 L417 F418 Q419 T424 A425 L561 T592 | I380-L421 HydrophobicContact CD1-CD1 4.3Å; I380-L421 HydrophobicContact CG2-CD1 3.96Å; M384-L421 HydrophobicContact CE-CD1 4.34Å; M384-L421 HydrophobicContact CE-CD2 3.67Å; M384-L421 HydrophobicContact CE-CG 4.46Å; L417-L421 PolarHBondContact O-N 3.38Å; F418-L421 WeakPolarHBondContact O-CB 3.31Å; F418-L421 PolarHBondContact O-N 3.08Å; Q419-L421 VanDerWaalsContact C-N 3.33Å; Q419-L421 PolarHBondContact O-N 3.31Å; L421-T424 PolarHBondContact O-N 3.25Å; L421-A425 WeakPolarHBondContact O-CB 3.35Å; L421-A425 PolarHBondContact O-N 3.17Å; L421-L561 HydrophobicContact CD1-CD1 4.45Å; L421-L561 HydrophobicContact CD1-CD2 4.4Å; L421-T592 HydrophobicContact CD2-CG2 4.03Å; L421-T592 HydrophobicContact CG-CG2 4.24Å |
| 422 | L | 86.2 | Confident | 84.3 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.4 | -48.7 | 179.2 | -72.5 | 178.1 | 0 | 0 | 0 | 112 | F418 Q419 A425 Q426 M585 K588 L589 T592 | F418-L422 HydrophobicContact CD1-CD1 4.07Å; F418-L422 HydrophobicContact CD2-CG 4.4Å; F418-L422 HydrophobicContact CE1-CD1 3.44Å; F418-L422 VanDerWaalsContact CE1-CD1 3.44Å; F418-L422 HydrophobicContact CE1-CG 4.08Å; F418-L422 HydrophobicContact CE2-CD1 4.13Å; F418-L422 HydrophobicContact CE2-CD2 3.92Å; F418-L422 HydrophobicContact CE2-CG 3.85Å; F418-L422 HydrophobicContact CZ-CD1 3.45Å; F418-L422 VanDerWaalsContact CZ-CD1 3.45Å; F418-L422 HydrophobicContact CZ-CD2 3.76Å; F418-L422 HydrophobicContact CZ-CG 3.67Å; F418-L422 WeakPolarHBondContact O-CG 3.36Å; F418-L422 PolarHBondContact O-N 2.93Å; Q419-L422 PolarHBondContact O-N 3.04Å; L422-A425 PolarHBondContact O-N 3.35Å; L422-Q426 WeakPolarHBondContact O-CB 3.27Å; L422-Q426 PolarHBondContact O-N 3Å; L422-M585 HydrophobicContact CD1-CE 3.36Å; L422-K588 HydrophobicContact CB-CB 4.41Å; L422-K588 HydrophobicContact CD2-CB 4.4Å; L422-L589 HydrophobicContact CD2-CD2 3.75Å; L422-L589 HydrophobicContact CD2-CG 4.06Å; L422-T592 WeakPolarHBondContact CD2-OG1 3.09Å |
| 423 | D | 87.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.011 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.1 | -41.5 | -179.2 | -70.5 | -22.7 | 0 | 0 | 0 | 109.9 | V348 Q349 L352 Q419 A425 Q426 F427 K588 | V348-D423 HydrophobicContact CG1-CB 3.86Å; Q349-D423 WeakPolarHBondContact CG-OD2 3.26Å; Q349-D423 PolarHBondContact NE2-OD2 2.83Å; L352-D423 HydrophobicContact CD1-CB 3.67Å; L352-D423 WeakPolarHBondContact CD1-O 3.09Å; Q419-D423 WeakPolarHBondContact O-CB 3.34Å; Q419-D423 PolarHBondContact O-N 2.56Å; D423-A425 PolarHBondContact O-N 2.91Å; D423-Q426 PolarHBondContact O-N 3.19Å; D423-F427 WeakPolarHBondContact O-CB 3.27Å; D423-F427 PolarHBondContact O-N 3.28Å; D423-K588 IonicContact OD1-NZ 2.7Å; D423-K588 PolarHBondContact OD1-NZ 3.45Å |
| 424 | T | 87.8 | Confident | 85 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.3 | -44.2 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | C376 I380 L420 L421 F427 E428 | C376-T424 HydrophobicContact CB-CG2 3.72Å; I380-T424 HydrophobicContact CD1-CG2 4.24Å; L420-T424 WeakPolarHBondContact O-CB 3.24Å; L420-T424 PolarHBondContact O-N 3.24Å; L420-T424 PolarHBondContact O-OG1 3.42Å; L421-T424 PolarHBondContact O-N 3.25Å; T424-F427 PolarHBondContact O-N 2.93Å; T424-E428 WeakPolarHBondContact O-CB 3.34Å; T424-E428 PolarHBondContact O-N 3.07Å |
| 425 | A | 86.9 | Confident | 85.2 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 2% | 0.017 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L421 L422 D423 F427 E428 F429 A591 K595 | L421-A425 WeakPolarHBondContact O-CB 3.35Å; L421-A425 PolarHBondContact O-N 3.17Å; L422-A425 PolarHBondContact O-N 3.35Å; D423-A425 PolarHBondContact O-N 2.91Å; A425-F427 VanDerWaalsContact C-N 3.35Å; A425-E428 PolarHBondContact O-N 3.07Å; A425-F429 WeakPolarHBondContact O-CB 3.33Å; A425-F429 PolarHBondContact O-N 3.27Å; A425-A591 HydrophobicContact CB-CB 4.35Å; A425-K595 HydrophobicContact CB-CB 4.43Å; A425-K595 HydrophobicContact CB-CD 4.04Å |
| 426 | Q | 86.4 | Confident | 85.4 | Confident | 38 Ų | 38 | 26.1 Ų | 26.1 | 18% | 0.178 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 174.9 | -175.9 | 62.4 | 33 | 0 | 0 | 111.9 | L352 L422 D423 F429 T430 A591 | L352-Q426 HydrophobicContact CD2-CB 4.22Å; L352-Q426 HydrophobicContact CD2-CG 3.86Å; L422-Q426 WeakPolarHBondContact O-CB 3.27Å; L422-Q426 PolarHBondContact O-N 3Å; D423-Q426 PolarHBondContact O-N 3.19Å; Q426-F429 PolarHBondContact O-N 3.35Å; Q426-T430 PolarHBondContact NE2-OG1 3.1Å; Q426-T430 WeakPolarHBondContact O-CB 3.17Å; Q426-T430 PolarHBondContact O-N 2.97Å; Q426-T430 PolarHBondContact O-OG1 3.2Å; Q426-A591 HydrophobicContact CB-CB 4.37Å |
| 427 | F | 87.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.7 | -46.4 | 179 | 174.4 | -131.8 | 0 | 0 | 0 | 111 | V348 L351 L352 L357 L369 L373 D423 T424 A425 T430 L431 | V348-F427 HydrophobicContact CG1-CB 4.19Å; L351-F427 HydrophobicContact CB-CD2 4.44Å; L351-F427 HydrophobicContact CB-CE2 4.32Å; L351-F427 HydrophobicContact CD1-CE1 4.18Å; L351-F427 HydrophobicContact CD1-CE2 4.25Å; L351-F427 HydrophobicContact CD1-CZ 3.91Å; L352-F427 HydrophobicContact CD2-CB 3.9Å; L352-F427 HydrophobicContact CG-CB 4.34Å; L357-F427 HydrophobicContact CD1-CD2 4.06Å; L357-F427 HydrophobicContact CD1-CE2 4.17Å; L357-F427 HydrophobicContact CD2-CE2 4.05Å; L369-F427 HydrophobicContact CB-CZ 4.36Å; L369-F427 HydrophobicContact CD2-CE2 4.32Å; L369-F427 HydrophobicContact CD2-CZ 3.82Å; L373-F427 HydrophobicContact CD1-CE1 4.46Å; L373-F427 HydrophobicContact CD2-CD1 3.47Å; L373-F427 VanDerWaalsContact CD2-CD1 3.47Å; L373-F427 HydrophobicContact CD2-CE1 3.62Å; L373-F427 HydrophobicContact CD2-CG 4.47Å; L373-F427 HydrophobicContact CG-CD1 4.08Å; L373-F427 HydrophobicContact CG-CE1 3.68Å; D423-F427 WeakPolarHBondContact O-CB 3.27Å; D423-F427 PolarHBondContact O-N 3.28Å; T424-F427 PolarHBondContact O-N 2.93Å; A425-F427 VanDerWaalsContact C-N 3.35Å; F427-T430 PolarHBondContact O-N 3.15Å; F427-L431 HydrophobicContact CE2-CD2 4.36Å; F427-L431 HydrophobicContact CZ-CD2 4.15Å; F427-L431 VanDerWaalsContact O-CB 3.29Å; F427-L431 WeakPolarHBondContact O-CB 3.26Å; F427-L431 PolarHBondContact O-N 3.45Å |
| 428 | E | 85.8 | Confident | 85.6 | Confident | 9 Ų | 9 | 28.7 Ų | 28.7 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 176.5 | -170.7 | -173.5 | 147.6 | 0 | 0 | 112 | L373 T424 A425 L431 K432 G559 K595 | L373-E428 HydrophobicContact CD2-CB 4.16Å; T424-E428 WeakPolarHBondContact O-CB 3.34Å; T424-E428 PolarHBondContact O-N 3.07Å; A425-E428 PolarHBondContact O-N 3.07Å; E428-L431 PolarHBondContact O-N 3.04Å; E428-K432 HydrophobicContact CG-CD 4.17Å; E428-K432 WeakPolarHBondContact O-CB 3.44Å; E428-K432 VanDerWaalsContact O-CG 3.31Å; E428-K432 WeakPolarHBondContact O-CG 3.32Å; E428-K432 PolarHBondContact O-N 3.15Å; E428-K432 WeakPolarHBondContact OE1-CE 3.42Å; E428-K432 IonicContact OE1-NZ 2.68Å; E428-K432 PolarHBondContact OE1-NZ 2.97Å; E428-G559 WeakPolarHBondContact OE1-CA 3.41Å; E428-K595 IonicContact OE2-NZ 3.39Å; E428-K595 PolarHBondContact OE2-NZ 2.9Å |
| 429 | F | 86.9 | Confident | 85.5 | Confident | 51 Ų | 51 | 30.3 Ų | 30.3 | 22% | 0.224 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.8 | -49.8 | 177.7 | 177 | -101.6 | 0 | 0 | 0 | 111.8 | A425 Q426 L431 K432 E433 A591 L594 | A425-F429 WeakPolarHBondContact O-CB 3.33Å; A425-F429 PolarHBondContact O-N 3.27Å; Q426-F429 PolarHBondContact O-N 3.35Å; F429-L431 VanDerWaalsContact C-N 3.34Å; F429-L431 PolarHBondContact O-N 3.43Å; F429-K432 PolarHBondContact O-N 3.24Å; F429-E433 HydrophobicContact CD2-CG 4.46Å; F429-E433 HydrophobicContact CE1-CG 4.1Å; F429-E433 HydrophobicContact CE2-CG 3.94Å; F429-E433 HydrophobicContact CZ-CG 3.74Å; F429-E433 PolarHBondContact O-N 3.07Å; F429-A591 HydrophobicContact CB-CB 3.98Å; F429-A591 HydrophobicContact CG-CB 4.38Å; F429-L594 HydrophobicContact CD2-CD1 3.7Å; F429-L594 HydrophobicContact CE2-CD1 3.43Å; F429-L594 VanDerWaalsContact CE2-CD1 3.43Å; F429-L594 HydrophobicContact CZ-CD1 4.2Å |
| 430 | T | 85.8 | Confident | 85.6 | Confident | 38 Ų | 38 | 31.5 Ų | 31.5 | 23% | 0.233 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.5 | -44.3 | -179.5 | -51.3 | 0 | 0 | 0 | 0 | 110.8 | L357 Q426 F427 E433 M434 | L357-T430 HydrophobicContact CD1-CG2 4.3Å; Q426-T430 PolarHBondContact NE2-OG1 3.1Å; Q426-T430 WeakPolarHBondContact O-CB 3.17Å; Q426-T430 PolarHBondContact O-N 2.97Å; Q426-T430 PolarHBondContact O-OG1 3.2Å; F427-T430 PolarHBondContact O-N 3.15Å; T430-E433 PolarHBondContact O-N 3.09Å; T430-M434 HydrophobicContact CG2-SD 4.24Å; T430-M434 VanDerWaalsContact O-CG 3.28Å; T430-M434 WeakPolarHBondContact O-CG 3.27Å; T430-M434 PolarHBondContact O-N 3Å; T430-M434 VanDerWaalsContact O-N 3.08Å |
| 431 | L | 85.1 | Confident | 85.5 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.9 | -41.4 | 179.6 | -170.4 | 61.3 | 0 | 0 | 0 | 111.7 | I362 L369 L373 F427 E428 F429 M434 F435 M555 | I362-L431 HydrophobicContact CD1-CD1 3.92Å; I362-L431 HydrophobicContact CG1-CD1 4.04Å; I362-L431 HydrophobicContact CG2-CD1 3.77Å; L369-L431 HydrophobicContact CB-CD2 4.27Å; L369-L431 HydrophobicContact CD1-CD1 4.27Å; L373-L431 HydrophobicContact CD1-CD2 3.84Å; F427-L431 HydrophobicContact CE2-CD2 4.36Å; F427-L431 HydrophobicContact CZ-CD2 4.15Å; F427-L431 VanDerWaalsContact O-CB 3.29Å; F427-L431 WeakPolarHBondContact O-CB 3.26Å; F427-L431 PolarHBondContact O-N 3.45Å; E428-L431 PolarHBondContact O-N 3.04Å; F429-L431 VanDerWaalsContact C-N 3.34Å; F429-L431 PolarHBondContact O-N 3.43Å; L431-M434 PolarHBondContact O-N 3.16Å; L431-F435 HydrophobicContact CD1-CD2 3.86Å; L431-F435 HydrophobicContact CD1-CE2 3.56Å; L431-F435 HydrophobicContact CD2-CE2 4.35Å; L431-F435 HydrophobicContact CG-CD2 3.85Å; L431-F435 HydrophobicContact CG-CE2 3.79Å; L431-F435 VanDerWaalsContact O-CD2 3.29Å; L431-F435 WeakPolarHBondContact O-CD2 3.41Å; L431-F435 PolarHBondContact O-N 3.05Å; L431-M555 HydrophobicContact CB-CE 3.78Å; L431-M555 HydrophobicContact CD2-CE 3.61Å; L431-M555 HydrophobicContact CD2-SD 4.35Å; L431-M555 HydrophobicContact CG-CE 3.63Å; L431-M555 HydrophobicContact CG-SD 4.37Å |
| 432 | K | 84.9 | Confident | 85.3 | Confident | 38 Ų | 38 | 35.7 Ų | 35.7 | 17% | 0.165 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -46.4 | 176 | -79.7 | 179.1 | 174.9 | 173.1 | 0 | 112.1 | E428 F429 F435 K436 M555 | E428-K432 HydrophobicContact CG-CD 4.17Å; E428-K432 WeakPolarHBondContact O-CB 3.44Å; E428-K432 VanDerWaalsContact O-CG 3.31Å; E428-K432 WeakPolarHBondContact O-CG 3.32Å; E428-K432 PolarHBondContact O-N 3.15Å; E428-K432 WeakPolarHBondContact OE1-CE 3.42Å; E428-K432 IonicContact OE1-NZ 2.68Å; E428-K432 PolarHBondContact OE1-NZ 2.97Å; F429-K432 PolarHBondContact O-N 3.24Å; K432-F435 PolarHBondContact O-N 2.99Å; K432-K436 WeakPolarHBondContact O-CG 3.36Å; K432-K436 PolarHBondContact O-N 3.33Å; K432-M555 HydrophobicContact CG-CE 3.61Å; K432-M555 HydrophobicContact CG-SD 4.33Å; K432-M555 PolarHBondContact NZ-O 3.4Å |
| 433 | E | 85.2 | Confident | 85.2 | Confident | 96 Ų | 96 | 40.5 Ų | 40.5 | 45% | 0.449 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62 | -45 | 178.2 | -76.2 | -71.3 | 117.6 | 0 | 0 | 111.5 | F429 T430 F435 K436 Q437 | F429-E433 HydrophobicContact CD2-CG 4.46Å; F429-E433 HydrophobicContact CE1-CG 4.1Å; F429-E433 HydrophobicContact CE2-CG 3.94Å; F429-E433 HydrophobicContact CZ-CG 3.74Å; F429-E433 PolarHBondContact O-N 3.07Å; T430-E433 PolarHBondContact O-N 3.09Å; E433-F435 PolarHBondContact O-N 3.26Å; E433-K436 PolarHBondContact O-N 3.41Å; E433-Q437 PolarHBondContact O-N 3.08Å |
| 434 | M | 84.3 | Confident | 85.1 | Confident | 35 Ų | 35 | 46 Ų | 46 | 17% | 0.172 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 176.5 | -69.2 | 179.9 | 80.3 | 0 | 0 | 111.7 | L357 E359 I362 T430 L431 Q437 M438 | L357-M434 HydrophobicContact CB-SD 4.35Å; E359-M434 HydrophobicContact CG-CE 4.29Å; I362-M434 HydrophobicContact CD1-CB 4.29Å; I362-M434 HydrophobicContact CD1-CE 3.32Å; I362-M434 HydrophobicContact CD1-SD 3.46Å; I362-M434 WeakPolarHBondContact CD1-SD 3.38Å; T430-M434 HydrophobicContact CG2-SD 4.24Å; T430-M434 VanDerWaalsContact O-CG 3.28Å; T430-M434 WeakPolarHBondContact O-CG 3.27Å; T430-M434 PolarHBondContact O-N 3Å; T430-M434 VanDerWaalsContact O-N 3.08Å; L431-M434 PolarHBondContact O-N 3.16Å; M434-Q437 PolarHBondContact O-N 2.65Å; M434-M438 HydrophobicContact CB-CE 4.39Å; M434-M438 WeakPolarHBondContact O-CB 3.45Å; M434-M438 VanDerWaalsContact O-CG 3.25Å; M434-M438 WeakPolarHBondContact O-CG 3.23Å; M434-M438 PolarHBondContact O-N 3.16Å |
| 435 | F | 83.4 | Confident | 84.9 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.6 | -39 | 176.7 | -89.8 | -70.3 | 0 | 0 | 0 | 113.1 | I362 I366 L431 K432 E433 M438 L439 I547 V551 L552 M555 | I362-F435 HydrophobicContact CG2-CD2 4.45Å; I362-F435 HydrophobicContact CG2-CE1 4.28Å; I362-F435 HydrophobicContact CG2-CE2 3.61Å; I362-F435 HydrophobicContact CG2-CZ 3.5Å; I362-F435 VanDerWaalsContact CG2-CZ 3.5Å; I366-F435 HydrophobicContact CD1-CE1 4.17Å; I366-F435 HydrophobicContact CD1-CZ 4.12Å; I366-F435 HydrophobicContact CG1-CZ 4.08Å; I366-F435 HydrophobicContact CG2-CZ 4.37Å; L431-F435 HydrophobicContact CD1-CD2 3.86Å; L431-F435 HydrophobicContact CD1-CE2 3.56Å; L431-F435 HydrophobicContact CD2-CE2 4.35Å; L431-F435 HydrophobicContact CG-CD2 3.85Å; L431-F435 HydrophobicContact CG-CE2 3.79Å; L431-F435 VanDerWaalsContact O-CD2 3.29Å; L431-F435 WeakPolarHBondContact O-CD2 3.41Å; L431-F435 PolarHBondContact O-N 3.05Å; K432-F435 PolarHBondContact O-N 2.99Å; E433-F435 PolarHBondContact O-N 3.26Å; F435-M438 HydrophobicContact CB-CE 4.45Å; F435-M438 HydrophobicContact CD1-CE 3.68Å; F435-M438 HydrophobicContact CD2-CE 4.43Å; F435-M438 HydrophobicContact CE1-CE 3.96Å; F435-M438 HydrophobicContact CG-CE 3.93Å; F435-M438 HydrophobicContact CZ-CE 4.45Å; F435-M438 PolarHBondContact O-N 3.19Å; F435-L439 WeakPolarHBondContact O-CB 3.46Å; F435-L439 WeakPolarHBondContact O-CG 3.36Å; F435-L439 PolarHBondContact O-N 3.19Å; F435-I547 HydrophobicContact CD1-CG2 4.3Å; F435-V551 HydrophobicContact CE1-CG1 4.41Å; F435-V551 HydrophobicContact CE2-CG1 4.37Å; F435-V551 HydrophobicContact CZ-CG1 4.19Å; F435-L552 HydrophobicContact CB-CD2 3.77Å; F435-L552 HydrophobicContact CB-CG 4.49Å; F435-M555 HydrophobicContact CD2-SD 4.19Å |
| 436 | K | 85.5 | Confident | 84.7 | Confident | 118 Ų | 118 | 48 Ų | 48 | 51% | 0.513 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 174.6 | -77.1 | 179.5 | 179.5 | -179.1 | 0 | 111.4 | K432 E433 L439 S440 L552 | K432-K436 WeakPolarHBondContact O-CG 3.36Å; K432-K436 PolarHBondContact O-N 3.33Å; E433-K436 PolarHBondContact O-N 3.41Å; K436-L439 PolarHBondContact O-N 2.62Å; K436-S440 PolarHBondContact O-N 3.28Å; K436-S440 PolarHBondContact O-OG 2.63Å; K436-L552 HydrophobicContact CG-CD1 4.23Å |
| 437 | Q | 85.1 | Confident | 84.6 | Confident | 95 Ų | 95 | 50.8 Ų | 50.8 | 44% | 0.444 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62 | -45.2 | 176.7 | -173.8 | 177.2 | 1.2 | 0 | 0 | 111.4 | E433 M434 L439 S440 E441 | E433-Q437 PolarHBondContact O-N 3.08Å; M434-Q437 PolarHBondContact O-N 2.65Å; Q437-L439 VanDerWaalsContact C-N 3.3Å; Q437-L439 PolarHBondContact O-N 3.13Å; Q437-S440 WeakPolarHBondContact CA-OG 3.29Å; Q437-S440 PolarHBondContact O-N 2.92Å; Q437-S440 PolarHBondContact O-OG 2.83Å; Q437-E441 HydrophobicContact CG-CG 4.45Å; Q437-E441 VanDerWaalsContact CG-OE1 3.29Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.31Å; Q437-E441 PolarHBondContact NE2-OE1 3.2Å; Q437-E441 WeakPolarHBondContact O-CB 3.38Å; Q437-E441 WeakPolarHBondContact O-CG 3.29Å; Q437-E441 PolarHBondContact O-N 2.76Å |
| 438 | M | 82.3 | Confident | 84.6 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -33.9 | 177.2 | -73 | -172.3 | -69.7 | 0 | 0 | 112.8 | E359 I362 L363 M434 F435 K442 I547 | E359-M438 HydrophobicContact CB-SD 4.23Å; E359-M438 HydrophobicContact CG-CG 4.47Å; E359-M438 HydrophobicContact CG-SD 4.25Å; I362-M438 HydrophobicContact CG2-CE 4.01Å; L363-M438 HydrophobicContact CD1-SD 4.4Å; L363-M438 HydrophobicContact CD2-SD 4.18Å; L363-M438 HydrophobicContact CG-SD 4.24Å; M434-M438 HydrophobicContact CB-CE 4.39Å; M434-M438 WeakPolarHBondContact O-CB 3.45Å; M434-M438 VanDerWaalsContact O-CG 3.25Å; M434-M438 WeakPolarHBondContact O-CG 3.23Å; M434-M438 PolarHBondContact O-N 3.16Å; F435-M438 HydrophobicContact CB-CE 4.45Å; F435-M438 HydrophobicContact CD1-CE 3.68Å; F435-M438 HydrophobicContact CD2-CE 4.43Å; F435-M438 HydrophobicContact CE1-CE 3.96Å; F435-M438 HydrophobicContact CG-CE 3.93Å; F435-M438 HydrophobicContact CZ-CE 4.45Å; F435-M438 PolarHBondContact O-N 3.19Å; M438-K442 WeakPolarHBondContact O-CA 3.46Å; M438-K442 WeakPolarHBondContact O-CB 3.43Å; M438-K442 PolarHBondContact O-N 3.19Å; M438-I547 HydrophobicContact CB-CD1 4.03Å |
| 439 | L | 82.9 | Confident | 84.6 | Confident | 38 Ų | 38 | 55 Ų | 55 | 20% | 0.199 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.2 | -44.3 | 174.4 | -81.1 | 163.2 | 0 | 0 | 0 | 112 | F435 K436 Q437 E441 K442 I547 E549 L552 | F435-L439 WeakPolarHBondContact O-CB 3.46Å; F435-L439 WeakPolarHBondContact O-CG 3.36Å; F435-L439 PolarHBondContact O-N 3.19Å; K436-L439 PolarHBondContact O-N 2.62Å; Q437-L439 VanDerWaalsContact C-N 3.3Å; Q437-L439 PolarHBondContact O-N 3.13Å; L439-E441 VanDerWaalsContact C-N 3.3Å; L439-E441 PolarHBondContact O-N 3.48Å; L439-K442 WeakPolarHBondContact O-CB 3.33Å; L439-K442 PolarHBondContact O-N 3.33Å; L439-I547 HydrophobicContact CD2-CG2 3.63Å; L439-I547 HydrophobicContact CG-CG2 3.81Å; L439-E549 HydrophobicContact CD2-CG 4.2Å; L439-L552 HydrophobicContact CD1-CD1 3.32Å; L439-L552 HydrophobicContact CD1-CG 4Å |
| 440 | S | 84.8 | Confident | 84.4 | Confident | 87 Ų | 87 | 54.7 Ų | 54.7 | 61% | 0.608 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -65.5 | -34.5 | 177.8 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | K436 Q437 | K436-S440 PolarHBondContact O-N 3.28Å; K436-S440 PolarHBondContact O-OG 2.63Å; Q437-S440 WeakPolarHBondContact CA-OG 3.29Å; Q437-S440 PolarHBondContact O-N 2.92Å; Q437-S440 PolarHBondContact O-OG 2.83Å |
| 441 | E | 85.3 | Confident | 84.5 | Confident | 54 Ų | 54 | 59 Ų | 59 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -2.1 | -179.8 | -65 | 173.9 | -173.7 | 0 | 0 | 112.7 | Q437 L439 Q443 I444 K445 | Q437-E441 HydrophobicContact CG-CG 4.45Å; Q437-E441 VanDerWaalsContact CG-OE1 3.29Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.31Å; Q437-E441 PolarHBondContact NE2-OE1 3.2Å; Q437-E441 WeakPolarHBondContact O-CB 3.38Å; Q437-E441 WeakPolarHBondContact O-CG 3.29Å; Q437-E441 PolarHBondContact O-N 2.76Å; L439-E441 VanDerWaalsContact C-N 3.3Å; L439-E441 PolarHBondContact O-N 3.48Å; E441-Q443 PolarHBondContact O-N 3.31Å; E441-I444 PolarHBondContact O-N 3.19Å; E441-K445 HydrophobicContact CB-CD 4.15Å; E441-K445 HydrophobicContact CB-CG 4.29Å; E441-K445 WeakPolarHBondContact O-CB 3.1Å; E441-K445 PolarHBondContact O-N 2.86Å; E441-K445 WeakPolarHBondContact OE2-CE 3.45Å; E441-K445 IonicContact OE2-NZ 3.16Å; E441-K445 PolarHBondContact OE2-NZ 3.23Å |
| 442 | K | 82.3 | Confident | 84.5 | Confident | 34 Ų | 34 | 62.6 Ų | 62.6 | 15% | 0.148 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -54.5 | -49.7 | -170.9 | -175.9 | 179.3 | 170.6 | 169.9 | 0 | 112.4 | M438 L439 W446 Y495 T544 I545 I547 | M438-K442 WeakPolarHBondContact O-CA 3.46Å; M438-K442 WeakPolarHBondContact O-CB 3.43Å; M438-K442 PolarHBondContact O-N 3.19Å; L439-K442 WeakPolarHBondContact O-CB 3.33Å; L439-K442 PolarHBondContact O-N 3.33Å; K442-W446 VanDerWaalsContact O-CB 3.27Å; K442-W446 WeakPolarHBondContact O-CB 3.35Å; K442-W446 PolarHBondContact O-N 3.13Å; K442-W446 VanDerWaalsContact O-N 3.14Å; K442-Y495 VanDerWaalsContact CD-OH 3.32Å; K442-Y495 WeakPolarHBondContact CD-OH 3.47Å; K442-Y495 VanDerWaalsContact CE-OH 3.32Å; K442-Y495 WeakPolarHBondContact CE-OH 3.38Å; K442-Y495 HydrophobicContact CG-CE2 4.45Å; K442-T544 HydrophobicContact CB-CG2 4.34Å; K442-T544 WeakPolarHBondContact CE-O 3.35Å; K442-T544 HydrophobicContact CG-CG2 3.66Å; K442-T544 VanDerWaalsContact O-CG2 3.27Å; K442-T544 WeakPolarHBondContact O-CG2 3.41Å; K442-I545 PolarHBondContact NZ-O 3.43Å; K442-I547 PolarHBondContact NZ-O 3.31Å |
| 443 | Q | 83 | Confident | 84.4 | Confident | 103 Ų | 103 | 60.8 Ų | 60.8 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.4 | -45.5 | -177.5 | -173.9 | 173.4 | -5.4 | 0 | 0 | 111.5 | E441 W446 E447 | E441-Q443 PolarHBondContact O-N 3.31Å; Q443-W446 PolarHBondContact O-N 3.26Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.45Å; Q443-E447 PolarHBondContact NE2-OE1 3.03Å; Q443-E447 WeakPolarHBondContact O-CG 3.38Å; Q443-E447 PolarHBondContact O-N 3.06Å |
| 444 | I | 86.3 | Confident | 84.3 | Confident | 118 Ų | 118 | 56.4 Ų | 56.4 | 61% | 0.605 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.5 | -47.7 | -178.7 | -58.7 | 172.3 | 0 | 0 | 0 | 110.9 | E441 W446 E447 S448 | E441-I444 PolarHBondContact O-N 3.19Å; I444-W446 VanDerWaalsContact C-N 3.34Å; I444-W446 PolarHBondContact O-N 3.19Å; I444-E447 PolarHBondContact O-N 2.73Å; I444-S448 WeakPolarHBondContact O-CB 3.33Å; I444-S448 PolarHBondContact O-N 3.13Å |
| 445 | K | 82.6 | Confident | 84.3 | Confident | 41 Ų | 41 | 59 Ų | 59 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 177.7 | -77.8 | -178.8 | 173.3 | 168.8 | 0 | 111.2 | E359 E441 S448 Y449 | E359-K445 IonicContact OE1-NZ 2.78Å; E359-K445 PolarHBondContact OE1-NZ 3.1Å; E359-K445 VanDerWaalsContact OE1-NZ 3.14Å; E359-K445 IonicContact OE2-NZ 3.65Å; E359-K445 PolarHBondContact OE2-NZ 2.73Å; E441-K445 HydrophobicContact CB-CD 4.15Å; E441-K445 HydrophobicContact CB-CG 4.29Å; E441-K445 WeakPolarHBondContact O-CB 3.1Å; E441-K445 PolarHBondContact O-N 2.86Å; E441-K445 WeakPolarHBondContact OE2-CE 3.45Å; E441-K445 IonicContact OE2-NZ 3.16Å; E441-K445 PolarHBondContact OE2-NZ 3.23Å; K445-S448 PolarHBondContact O-N 3.46Å; K445-Y449 HydrophobicContact CB-CD2 4.49Å; K445-Y449 HydrophobicContact CB-CE2 3.97Å; K445-Y449 WeakPolarHBondContact O-CD2 3.48Å; K445-Y449 VanDerWaalsContact O-CG 3.24Å; K445-Y449 PolarHBondContact O-N 3.12Å |
| 446 | W | 83.9 | Confident | 84.2 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 179.6 | -171.3 | 87.7 | 0 | 0 | 0 | 112.5 | K442 Q443 I444 Y449 K450 L493 Y495 M541 T544 I545 | K442-W446 VanDerWaalsContact O-CB 3.27Å; K442-W446 WeakPolarHBondContact O-CB 3.35Å; K442-W446 PolarHBondContact O-N 3.13Å; K442-W446 VanDerWaalsContact O-N 3.14Å; Q443-W446 PolarHBondContact O-N 3.26Å; I444-W446 VanDerWaalsContact C-N 3.34Å; I444-W446 PolarHBondContact O-N 3.19Å; W446-Y449 PolarHBondContact O-N 3.36Å; W446-K450 HydrophobicContact CE3-CD 4.48Å; W446-K450 HydrophobicContact CH2-CD 3.97Å; W446-K450 HydrophobicContact CZ3-CD 3.79Å; W446-K450 WeakPolarHBondContact O-CB 3.21Å; W446-K450 PolarHBondContact O-N 3.15Å; W446-L493 HydrophobicContact CH2-CB 4.03Å; W446-L493 WeakPolarHBondContact CH2-O 3.42Å; W446-L493 HydrophobicContact CZ2-CB 4.08Å; W446-Y495 HydrophobicContact CB-CD2 4.43Å; W446-Y495 HydrophobicContact CB-CE2 4.46Å; W446-Y495 AromaticContact CD2-CD2 3.89Å; W446-Y495 HydrophobicContact CD2-CD2 3.89Å; W446-Y495 AromaticContact CE3-CD2 3.9Å; W446-Y495 HydrophobicContact CE3-CD2 3.9Å; W446-Y495 HydrophobicContact CE3-CG 4.48Å; W446-Y495 HydrophobicContact CG-CD2 4.13Å; W446-Y495 HydrophobicContact CG-CE2 4.48Å; W446-Y495 HydrophobicContact CZ3-CD2 4.44Å; W446-M541 HydrophobicContact CD2-CE 4.17Å; W446-M541 VanDerWaalsContact CE2-CE 3.49Å; W446-M541 HydrophobicContact CH2-CE 4.36Å; W446-M541 HydrophobicContact CZ2-CE 3.61Å; W446-T544 HydrophobicContact CB-CG2 4.21Å; W446-I545 HydrophobicContact CZ2-CD1 4.46Å; W446-I545 VanDerWaalsContact NE1-CD1 3.29Å |
| 447 | E | 84.8 | Confident | 84 | Confident | 96 Ų | 96 | 57.6 Ų | 57.6 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 175.1 | -71.9 | 174.9 | -167.2 | 0 | 0 | 112.1 | Q443 I444 K450 K451 | Q443-E447 WeakPolarHBondContact CG-OE1 3.45Å; Q443-E447 PolarHBondContact NE2-OE1 3.03Å; Q443-E447 WeakPolarHBondContact O-CG 3.38Å; Q443-E447 PolarHBondContact O-N 3.06Å; I444-E447 PolarHBondContact O-N 2.73Å; E447-K450 PolarHBondContact O-N 3.01Å; E447-K451 WeakPolarHBondContact O-CB 3.21Å; E447-K451 PolarHBondContact O-N 2.84Å |
| 448 | S | 86.4 | Confident | 83.8 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 174.8 | -166.6 | 0 | 0 | 0 | 0 | 111.8 | I444 K445 K450 K451 E452 | I444-S448 WeakPolarHBondContact O-CB 3.33Å; I444-S448 PolarHBondContact O-N 3.13Å; K445-S448 PolarHBondContact O-N 3.46Å; S448-K450 VanDerWaalsContact C-N 3.34Å; S448-K450 PolarHBondContact O-N 2.67Å; S448-K451 PolarHBondContact O-N 3.29Å; S448-E452 WeakPolarHBondContact O-CG 3.5Å; S448-E452 PolarHBondContact O-N 2.93Å |
| 449 | Y | 85.4 | Confident | 83.6 | Confident | 45 Ų | 45 | 58.3 Ų | 58.3 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.2 | -34.9 | 178.4 | -61.8 | -38.6 | 0 | 0 | 0 | 112.7 | K445 W446 G453 F537 Q540 | K445-Y449 HydrophobicContact CB-CD2 4.49Å; K445-Y449 HydrophobicContact CB-CE2 3.97Å; K445-Y449 WeakPolarHBondContact O-CD2 3.48Å; K445-Y449 VanDerWaalsContact O-CG 3.24Å; K445-Y449 PolarHBondContact O-N 3.12Å; W446-Y449 PolarHBondContact O-N 3.36Å; Y449-G453 PolarHBondContact O-N 2.87Å; Y449-F537 AromaticContact CD1-CD1 3.73Å; Y449-F537 HydrophobicContact CD1-CD1 3.73Å; Y449-F537 HydrophobicContact CD1-CE1 4.23Å; Y449-F537 HydrophobicContact CE1-CD1 4.36Å; Y449-F537 HydrophobicContact CG-CD1 4.46Å; Y449-Q540 HydrophobicContact CD2-CB 3.96Å; Y449-Q540 VanDerWaalsContact CE1-OE1 3.24Å; Y449-Q540 HydrophobicContact CE2-CB 3.89Å; Y449-Q540 HydrophobicContact CG-CB 4.45Å |
| 450 | K | 84.3 | Confident | 83.3 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 20% | 0.2 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 172.8 | -178 | -178.5 | 171.3 | -176.9 | 0 | 111 | W446 E447 S448 S454 I490 E491 L493 M541 | W446-K450 HydrophobicContact CE3-CD 4.48Å; W446-K450 HydrophobicContact CH2-CD 3.97Å; W446-K450 HydrophobicContact CZ3-CD 3.79Å; W446-K450 WeakPolarHBondContact O-CB 3.21Å; W446-K450 PolarHBondContact O-N 3.15Å; E447-K450 PolarHBondContact O-N 3.01Å; S448-K450 VanDerWaalsContact C-N 3.34Å; S448-K450 PolarHBondContact O-N 2.67Å; K450-S454 WeakPolarHBondContact O-CB 3.49Å; K450-S454 PolarHBondContact O-N 3.49Å; K450-I490 WeakPolarHBondContact CE-O 3.03Å; K450-I490 HydrophobicContact CG-CG2 4.19Å; K450-E491 VanDerWaalsContact CE-C 3.49Å; K450-E491 VanDerWaalsContact CE-CA 3.47Å; K450-E491 WeakPolarHBondContact CE-O 3.39Å; K450-E491 PolarHBondContact NZ-O 3.22Å; K450-L493 PolarHBondContact NZ-O 3.14Å; K450-M541 HydrophobicContact CB-CE 3.72Å; K450-M541 HydrophobicContact CB-SD 4.18Å; K450-M541 HydrophobicContact CG-CE 4.14Å |
| 451 | K | 86.8 | Confident | 82.8 | Confident | 129 Ų | 129 | 52.5 Ų | 52.5 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -65.3 | -51.3 | 178.6 | -175.9 | 177.8 | 173.4 | -178.1 | 0 | 111.5 | E447 S448 G453 S454 E455 | E447-K451 WeakPolarHBondContact O-CB 3.21Å; E447-K451 PolarHBondContact O-N 2.84Å; S448-K451 PolarHBondContact O-N 3.29Å; K451-G453 VanDerWaalsContact C-N 3.33Å; K451-G453 PolarHBondContact O-N 3.49Å; K451-S454 PolarHBondContact O-N 2.95Å; K451-E455 WeakPolarHBondContact CE-OE1 3.46Å; K451-E455 HydrophobicContact CG-CG 4.4Å; K451-E455 IonicContact NZ-OE1 2.88Å; K451-E455 WeakPolarHBondContact O-CB 3.41Å; K451-E455 WeakPolarHBondContact O-CG 3.42Å; K451-E455 PolarHBondContact O-N 2.98Å |
| 452 | E | 84.6 | Confident | 82.2 | Confident | 76 Ų | 76 | 53.3 Ų | 53.3 | 36% | 0.355 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 178.1 | -71.4 | -174.5 | 179.9 | 0 | 0 | 111.7 | S448 R456 F537 | S448-E452 WeakPolarHBondContact O-CG 3.5Å; S448-E452 PolarHBondContact O-N 2.93Å; E452-R456 WeakPolarHBondContact O-CB 3.46Å; E452-R456 WeakPolarHBondContact O-CG 3.34Å; E452-R456 PolarHBondContact O-N 3.28Å; E452-F537 HydrophobicContact CB-CD2 4.25Å; E452-F537 HydrophobicContact CB-CE2 4.01Å; E452-F537 HydrophobicContact CB-CZ 4.15Å; E452-F537 WeakPolarHBondContact OE2-CE1 3.32Å; E452-F537 WeakPolarHBondContact OE2-CZ 3.49Å |
| 453 | G | 82.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y449 K451 M457 | Y449-G453 PolarHBondContact O-N 2.87Å; K451-G453 VanDerWaalsContact C-N 3.33Å; K451-G453 PolarHBondContact O-N 3.49Å; G453-M457 VanDerWaalsContact O-CG 3.31Å; G453-M457 WeakPolarHBondContact O-CG 3.21Å; G453-M457 PolarHBondContact O-N 3.26Å |
| 454 | S | 84.1 | Confident | 81.1 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.4 | -46.2 | 175.3 | 176.8 | 0 | 0 | 0 | 0 | 112 | K450 K451 R456 M457 T458 S487 E491 | K450-S454 WeakPolarHBondContact O-CB 3.49Å; K450-S454 PolarHBondContact O-N 3.49Å; K451-S454 PolarHBondContact O-N 2.95Å; S454-R456 PolarHBondContact O-N 3.48Å; S454-M457 PolarHBondContact O-N 3.48Å; S454-T458 WeakPolarHBondContact O-CB 3.27Å; S454-T458 PolarHBondContact O-N 3.24Å; S454-T458 PolarHBondContact O-OG1 3.46Å; S454-S487 PolarHBondContact O-OG 3.19Å; S454-S487 PolarHBondContact OG-OG 3.44Å; S454-E491 WeakPolarHBondContact OG-CG 3.24Å; S454-E491 PolarHBondContact OG-OE1 3.02Å |
| 455 | E | 84.5 | Confident | 80.1 | Confident | 90 Ų | 90 | 43.8 Ų | 43.8 | 42% | 0.421 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.9 | -43.7 | -179.7 | -75.2 | 176 | 174.8 | 0 | 0 | 111.1 | K451 M457 T458 E459 | K451-E455 WeakPolarHBondContact CE-OE1 3.46Å; K451-E455 HydrophobicContact CG-CG 4.4Å; K451-E455 IonicContact NZ-OE1 2.88Å; K451-E455 WeakPolarHBondContact O-CB 3.41Å; K451-E455 WeakPolarHBondContact O-CG 3.42Å; K451-E455 PolarHBondContact O-N 2.98Å; E455-M457 VanDerWaalsContact C-N 3.35Å; E455-M457 PolarHBondContact O-N 2.94Å; E455-T458 PolarHBondContact O-N 3.08Å; E455-T458 VanDerWaalsContact O-N 3.16Å; E455-E459 WeakPolarHBondContact O-CB 3.27Å; E455-E459 WeakPolarHBondContact O-CG 3.33Å; E455-E459 PolarHBondContact O-N 3.25Å |
| 456 | R | 80.9 | Confident | 79 | Confident | 92 Ų | 92 | 44.2 Ų | 44.2 | 35% | 0.347 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.2 | -36.7 | 177.4 | -66.6 | -71.7 | 171 | 172.6 | -2.5 | 112.8 | E452 S454 L460 F530 F537 | E452-R456 WeakPolarHBondContact O-CB 3.46Å; E452-R456 WeakPolarHBondContact O-CG 3.34Å; E452-R456 PolarHBondContact O-N 3.28Å; S454-R456 PolarHBondContact O-N 3.48Å; R456-L460 WeakPolarHBondContact O-CB 3.48Å; R456-L460 WeakPolarHBondContact O-CG 3.17Å; R456-L460 PolarHBondContact O-N 3.16Å; R456-F530 HydrophobicContact CB-CD1 4.16Å; R456-F530 HydrophobicContact CG-CD1 4.3Å; R456-F537 HydrophobicContact CG-CE2 4.41Å |
| 457 | M | 80.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.9 | -36.2 | 173.5 | -72.3 | -67.3 | 111 | 0 | 0 | 112.3 | G453 S454 E455 L460 A461 F483 I486 I490 L512 L531 T534 | G453-M457 VanDerWaalsContact O-CG 3.31Å; G453-M457 WeakPolarHBondContact O-CG 3.21Å; G453-M457 PolarHBondContact O-N 3.26Å; S454-M457 PolarHBondContact O-N 3.48Å; E455-M457 VanDerWaalsContact C-N 3.35Å; E455-M457 PolarHBondContact O-N 2.94Å; M457-L460 HydrophobicContact CE-CD1 3.43Å; M457-L460 VanDerWaalsContact CE-CD1 3.43Å; M457-L460 PolarHBondContact O-N 3.41Å; M457-L460 HydrophobicContact SD-CD1 4.46Å; M457-A461 PolarHBondContact O-N 3.28Å; M457-F483 HydrophobicContact SD-CD1 3.76Å; M457-F483 HydrophobicContact SD-CE1 4.24Å; M457-I486 HydrophobicContact CG-CG2 4.21Å; M457-I486 HydrophobicContact SD-CG2 4.04Å; M457-I490 HydrophobicContact CG-CD1 3.93Å; M457-L512 HydrophobicContact CE-CD2 4.17Å; M457-L512 HydrophobicContact SD-CD2 3.92Å; M457-L531 HydrophobicContact CE-CD2 4.09Å; M457-T534 VanDerWaalsContact CE-CB 3.46Å; M457-T534 HydrophobicContact CE-CG2 3.58Å; M457-T534 WeakPolarHBondContact CE-OG1 3.33Å; M457-T534 HydrophobicContact CG-CG2 3.85Å; M457-T534 HydrophobicContact SD-CG2 4.2Å |
| 458 | T | 82.1 | Confident | 76.3 | Confident | 46 Ų | 46 | 49.4 Ų | 49.4 | 28% | 0.282 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69 | -42.2 | 176.4 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | S454 E455 A461 E462 S487 | S454-T458 WeakPolarHBondContact O-CB 3.27Å; S454-T458 PolarHBondContact O-N 3.24Å; S454-T458 PolarHBondContact O-OG1 3.46Å; E455-T458 PolarHBondContact O-N 3.08Å; E455-T458 VanDerWaalsContact O-N 3.16Å; T458-A461 WeakPolarHBondContact O-CB 3.31Å; T458-A461 PolarHBondContact O-N 3.21Å; T458-E462 WeakPolarHBondContact O-CG 3.35Å; T458-E462 PolarHBondContact O-N 3.36Å; T458-S487 PolarHBondContact OG1-OG 3.45Å |
| 459 | E | 77.6 | Confident | 74.5 | Confident | 71 Ų | 71 | 52.9 Ų | 52.9 | 33% | 0.332 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 173.2 | -74.4 | -178.8 | 166.3 | 0 | 0 | 111.9 | E455 A461 E462 V463 F530 | E455-E459 WeakPolarHBondContact O-CB 3.27Å; E455-E459 WeakPolarHBondContact O-CG 3.33Å; E455-E459 PolarHBondContact O-N 3.25Å; E459-A461 VanDerWaalsContact C-N 3.35Å; E459-E462 WeakPolarHBondContact O-CB 3.07Å; E459-E462 PolarHBondContact O-N 2.95Å; E459-V463 WeakPolarHBondContact O-CG2 3.4Å; E459-V463 PolarHBondContact O-N 3.45Å; E459-F530 WeakPolarHBondContact OE2-CE1 3.46Å |
| 460 | L | 75.9 | Confident | 72.7 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 172.4 | -84.3 | 170.1 | 0 | 0 | 0 | 111.6 | R456 M457 E462 V463 F464 F483 V527 F530 L531 | R456-L460 WeakPolarHBondContact O-CB 3.48Å; R456-L460 WeakPolarHBondContact O-CG 3.17Å; R456-L460 PolarHBondContact O-N 3.16Å; M457-L460 HydrophobicContact CE-CD1 3.43Å; M457-L460 VanDerWaalsContact CE-CD1 3.43Å; M457-L460 PolarHBondContact O-N 3.41Å; M457-L460 HydrophobicContact SD-CD1 4.46Å; L460-E462 VanDerWaalsContact C-N 3.27Å; L460-E462 PolarHBondContact O-N 3.05Å; L460-V463 PolarHBondContact O-N 3.1Å; L460-V463 VanDerWaalsContact O-N 3.16Å; L460-F464 HydrophobicContact CD2-CE2 4.39Å; L460-F464 WeakPolarHBondContact O-CD2 3.3Å; L460-F464 PolarHBondContact O-N 3.06Å; L460-F464 VanDerWaalsContact O-N 3.15Å; L460-F483 HydrophobicContact CB-CG 4.41Å; L460-F483 HydrophobicContact CD1-CE1 4.41Å; L460-V527 HydrophobicContact CD2-CB 4.28Å; L460-V527 HydrophobicContact CD2-CG1 3.95Å; L460-V527 HydrophobicContact CD2-CG2 4.04Å; L460-F530 HydrophobicContact CD1-CB 3.6Å; L460-F530 HydrophobicContact CD2-CB 3.95Å; L460-F530 HydrophobicContact CD2-CD2 4.5Å; L460-F530 HydrophobicContact CD2-CG 4.35Å; L460-F530 HydrophobicContact CG-CB 3.81Å; L460-F530 HydrophobicContact CG-CG 4.24Å; L460-L531 HydrophobicContact CD1-CD2 4.31Å; L460-L531 HydrophobicContact CD1-CG 4.42Å |
| 461 | A | 74.8 | Confident | 71.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.9 | -36.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | M457 T458 E459 S465 Q480 F483 R484 | M457-A461 PolarHBondContact O-N 3.28Å; T458-A461 WeakPolarHBondContact O-CB 3.31Å; T458-A461 PolarHBondContact O-N 3.21Å; E459-A461 VanDerWaalsContact C-N 3.35Å; A461-S465 PolarHBondContact O-N 2.72Å; A461-Q480 WeakPolarHBondContact O-CG 3.16Å; A461-F483 HydrophobicContact CB-CB 3.82Å; A461-R484 HydrophobicContact CB-CG 3.78Å |
| 462 | E | 73.5 | Confident | 69.8 | Low | 72 Ų | 72 | 64.5 Ų | 64.5 | 34% | 0.336 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.9 | -36.5 | 174 | -72 | 179.7 | 175.6 | 0 | 0 | 112.9 | T458 E459 L460 S465 K468 | T458-E462 WeakPolarHBondContact O-CG 3.35Å; T458-E462 PolarHBondContact O-N 3.36Å; E459-E462 WeakPolarHBondContact O-CB 3.07Å; E459-E462 PolarHBondContact O-N 2.95Å; L460-E462 VanDerWaalsContact C-N 3.27Å; L460-E462 PolarHBondContact O-N 3.05Å; E462-S465 WeakPolarHBondContact O-CB 3.36Å; E462-S465 PolarHBondContact O-N 2.92Å; E462-S465 PolarHBondContact O-OG 3.15Å; E462-K468 WeakPolarHBondContact OE2-CE 3.34Å; E462-K468 IonicContact OE2-NZ 2.78Å; E462-K468 PolarHBondContact OE2-NZ 3.36Å |
| 463 | V | 72.1 | Confident | 68.7 | Low | 28 Ų | 28 | 62.6 Ų | 62.6 | 17% | 0.17 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62 | -42.9 | 175.5 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | E459 L460 S465 V473 | E459-V463 WeakPolarHBondContact O-CG2 3.4Å; E459-V463 PolarHBondContact O-N 3.45Å; L460-V463 PolarHBondContact O-N 3.1Å; L460-V463 VanDerWaalsContact O-N 3.16Å; V463-S465 VanDerWaalsContact C-N 3.28Å; V463-S465 PolarHBondContact O-N 2.88Å; V463-V473 HydrophobicContact CG1-CB 4.32Å; V463-V473 HydrophobicContact CG1-CG2 4.03Å |
| 464 | F | 69.2 | Low | 67.5 | Low | 7 Ų | 7 | 71.1 Ų | 71.1 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -76.5 | -10.3 | 176.5 | -70.7 | -74.4 | 0 | 0 | 0 | 114.3 | L460 G466 V473 K475 N476 L479 Q480 F483 L521 V527 | L460-F464 HydrophobicContact CD2-CE2 4.39Å; L460-F464 WeakPolarHBondContact O-CD2 3.3Å; L460-F464 PolarHBondContact O-N 3.06Å; L460-F464 VanDerWaalsContact O-N 3.15Å; F464-G466 VanDerWaalsContact C-N 3.35Å; F464-V473 HydrophobicContact CD1-CG1 3.66Å; F464-V473 HydrophobicContact CE1-CG1 3.39Å; F464-V473 HydrophobicContact CZ-CG1 4.17Å; F464-K475 WeakPolarHBondContact O-CA 3.47Å; F464-N476 HydrophobicContact CD1-CB 4.48Å; F464-N476 PolarHBondContact O-N 3.47Å; F464-L479 HydrophobicContact CD1-CD1 4.46Å; F464-L479 HydrophobicContact CE1-CD1 4.21Å; F464-L479 HydrophobicContact CG-CB 4.46Å; F464-Q480 HydrophobicContact CB-CB 4.47Å; F464-F483 AromaticContact CD2-CD2 3.89Å; F464-F483 HydrophobicContact CD2-CD2 3.89Å; F464-F483 AromaticContact CD2-CE2 3.7Å; F464-F483 HydrophobicContact CD2-CE2 3.7Å; F464-F483 HydrophobicContact CE2-CD2 4.15Å; F464-F483 AromaticContact CE2-CE2 3.5Å; F464-F483 HydrophobicContact CE2-CE2 3.5Å; F464-F483 HydrophobicContact CE2-CZ 4.32Å; F464-F483 HydrophobicContact CZ-CE2 4.4Å; F464-L521 HydrophobicContact CE1-CD2 4.39Å; F464-L521 HydrophobicContact CZ-CD2 3.9Å; F464-V527 HydrophobicContact CE2-CG1 4.39Å; F464-V527 HydrophobicContact CE2-CG2 4.43Å; F464-V527 HydrophobicContact CZ-CG1 4.29Å; F464-V527 HydrophobicContact CZ-CG2 4.19Å |
| 465 | S | 65 | Low | 66.5 | Low | 19 Ų | 19 | 77 Ų | 77 | 13% | 0.133 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -78.1 | -16.8 | 175.4 | 79.3 | 0 | 0 | 0 | 0 | 114 | A461 E462 V463 V467 | A461-S465 PolarHBondContact O-N 2.72Å; E462-S465 WeakPolarHBondContact O-CB 3.36Å; E462-S465 PolarHBondContact O-N 2.92Å; E462-S465 PolarHBondContact O-OG 3.15Å; V463-S465 VanDerWaalsContact C-N 3.28Å; V463-S465 PolarHBondContact O-N 2.88Å; S465-V467 VanDerWaalsContact OG-CG2 3.32Å; S465-V467 WeakPolarHBondContact OG-CG2 3.12Å |
| 466 | G | 60 | Low | 65.8 | Low | 51 Ų | 51 | 75.7 Ų | 75.7 | 53% | 0.526 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 8.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | F464 | F464-G466 VanDerWaalsContact C-N 3.35Š|
| 467 | V | 56.8 | Low | 65.2 | Low | 116 Ų | 116 | 77 Ų | 77 | 70% | 0.703 | 40% | 0.396 | S | S | * | . | trans | -88.3 | -22.1 | -174 | -177.8 | 0 | 0 | 0 | 0 | 113.1 | S465 | S465-V467 VanDerWaalsContact OG-CG2 3.32Å; S465-V467 WeakPolarHBondContact OG-CG2 3.12Å | ||
| 468 | K | 55.3 | Low | 64.7 | Low | 92 Ų | 92 | 83.4 Ų | 83.4 | 40% | 0.4 | 43% | 0.43 | S | S | . | . | trans | -104.6 | 109.3 | 175.4 | -83.1 | 174.5 | 173.2 | 160.4 | 0 | 110.6 | E462 L470 | E462-K468 WeakPolarHBondContact OE2-CE 3.34Å; E462-K468 IonicContact OE2-NZ 2.78Å; E462-K468 PolarHBondContact OE2-NZ 3.36Å; K468-L470 VanDerWaalsContact C-N 3.3Å; K468-L470 PolarHBondContact O-N 3.47Å | ||
| 469 | P | 49 | Very low | 64.1 | Low | 125 Ų | 125 | 81.9 Ų | 81.9 | 81% | 0.812 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 3.8 | -169.8 | 30.9 | -35.4 | 0 | 0 | 0 | 115.6 | T471 | P469-T471 VanDerWaalsContact C-N 3.31Å; P469-T471 PolarHBondContact O-N 2.99Å |
| 470 | L | 47.4 | Very low | 63.9 | Low | 168 Ų | 168 | 79.9 Ų | 79.9 | 88% | 0.88 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -8.5 | -172.1 | -86.7 | 133 | 0 | 0 | 0 | 114.6 | K468 | K468-L470 VanDerWaalsContact C-N 3.3Å; K468-L470 PolarHBondContact O-N 3.47Å |
| 471 | T | 55.4 | Low | 63.9 | Low | 33 Ų | 33 | 82.7 Ų | 82.7 | 20% | 0.202 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -135 | 126.8 | -175 | 41.9 | 0 | 0 | 0 | 0 | 111.3 | P469 V473 | P469-T471 VanDerWaalsContact C-N 3.31Å; P469-T471 PolarHBondContact O-N 2.99Å; T471-V473 PolarHBondContact O-N 2.93Å |
| 472 | R | 54.6 | Low | 64.1 | Low | 263 Ų | 263 | 86.1 Ų | 86.1 | 99% | 0.992 | 45% | 0.447 | S | S | * | . | trans | -70.4 | 68.7 | 178.5 | -66.2 | 178.5 | 178.9 | 175 | -0.8 | 111.4 | ||||
| 473 | V | 60.9 | Low | 64.4 | Low | 37 Ų | 37 | 82.7 Ų | 82.7 | 22% | 0.224 | 43% | 0.431 | C | S | . | . | trans | -116.8 | 131.1 | 179.8 | -169.9 | 0 | 0 | 0 | 0 | 109.1 | V463 F464 T471 N524 | V463-V473 HydrophobicContact CG1-CB 4.32Å; V463-V473 HydrophobicContact CG1-CG2 4.03Å; F464-V473 HydrophobicContact CD1-CG1 3.66Å; F464-V473 HydrophobicContact CE1-CG1 3.39Å; F464-V473 HydrophobicContact CZ-CG1 4.17Å; T471-V473 PolarHBondContact O-N 2.93Å; V473-N524 WeakPolarHBondContact CG2-ND2 3.39Å | ||
| 474 | E | 58.4 | Low | 64.8 | Low | 178 Ų | 178 | 87.9 Ų | 87.9 | 83% | 0.832 | 45% | 0.448 | S | S | * | . | trans | -70.9 | 139 | 176.2 | -66.5 | -174.3 | 167.7 | 0 | 0 | 110.8 | N476 | E474-N476 PolarHBondContact O-N 2.92Š| ||
| 475 | K | 63.3 | Low | 65.4 | Low | 126 Ų | 126 | 91.9 Ų | 91.9 | 55% | 0.548 | 47% | 0.466 | S | S | . | . | trans | -63.8 | 123.8 | 179.7 | -175.7 | -172.8 | 172.5 | -157.5 | 0 | 109.7 | F464 E477 | F464-K475 WeakPolarHBondContact O-CA 3.47Å; K475-E477 WeakPolarHBondContact CE-OE1 3.1Å; K475-E477 IonicContact NZ-OE1 2.74Å; K475-E477 PolarHBondContact NZ-OE1 3.02Å | ||
| 476 | N | 69.1 | Low | 66.2 | Low | 63 Ų | 63 | 91.3 Ų | 91.3 | 34% | 0.337 | 46% | 0.462 | S | S | . | . | trans | -132.7 | 106.4 | 176.8 | -171.2 | -24.8 | 0 | 0 | 0 | 110.4 | F464 E474 N478 L479 Q480 | F464-N476 HydrophobicContact CD1-CB 4.48Å; F464-N476 PolarHBondContact O-N 3.47Å; E474-N476 PolarHBondContact O-N 2.92Å; N476-N478 VanDerWaalsContact C-N 3.33Å; N476-N478 PolarHBondContact O-N 3.12Å; N476-N478 PolarHBondContact OD1-N 3.47Å; N476-L479 HydrophobicContact CB-CB 4.3Å; N476-L479 HydrophobicContact CB-CD1 4.23Å; N476-L479 HydrophobicContact CB-CG 4.48Å; N476-L479 WeakPolarHBondContact ND2-CD1 3.22Å; N476-L479 PolarHBondContact O-N 3.37Å; N476-L479 PolarHBondContact OD1-N 3.16Å; N476-Q480 PolarHBondContact O-N 3.32Å; N476-Q480 VanDerWaalsContact O-N 3.1Å | ||
| 477 | E | 68.1 | Low | 67.3 | Low | 121 Ų | 121 | 89.2 Ų | 89.2 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.3 | -29.6 | -175 | -64.9 | -173.4 | 165.4 | 0 | 0 | 112.9 | K475 A481 | K475-E477 WeakPolarHBondContact CE-OE1 3.1Å; K475-E477 IonicContact NZ-OE1 2.74Å; K475-E477 PolarHBondContact NZ-OE1 3.02Å; E477-A481 WeakPolarHBondContact O-CB 3.39Å; E477-A481 PolarHBondContact O-N 3.02Å |
| 478 | N | 70.9 | Confident | 68.6 | Low | 134 Ų | 134 | 90.1 Ų | 90.1 | 72% | 0.717 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -69.8 | -42.7 | 178.2 | -68.1 | -19.1 | 0 | 0 | 0 | 111.2 | N476 A481 W482 | N476-N478 VanDerWaalsContact C-N 3.33Å; N476-N478 PolarHBondContact O-N 3.12Å; N476-N478 PolarHBondContact OD1-N 3.47Å; N478-A481 PolarHBondContact O-N 3.48Å; N478-W482 WeakPolarHBondContact O-CB 3.41Å; N478-W482 PolarHBondContact O-N 3.04Å |
| 479 | L | 68.7 | Low | 69.9 | Low | 13 Ų | 13 | 89.4 Ų | 89.4 | 7% | 0.068 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -70.1 | -36.6 | 176.4 | -71.5 | 174.9 | 0 | 0 | 0 | 112.3 | F464 N476 W482 F483 | F464-L479 HydrophobicContact CD1-CD1 4.46Å; F464-L479 HydrophobicContact CE1-CD1 4.21Å; F464-L479 HydrophobicContact CG-CB 4.46Å; N476-L479 HydrophobicContact CB-CB 4.3Å; N476-L479 HydrophobicContact CB-CD1 4.23Å; N476-L479 HydrophobicContact CB-CG 4.48Å; N476-L479 WeakPolarHBondContact ND2-CD1 3.22Å; N476-L479 PolarHBondContact O-N 3.37Å; N476-L479 PolarHBondContact OD1-N 3.16Å; L479-W482 PolarHBondContact O-N 3.01Å; L479-F483 HydrophobicContact CB-CD2 4.32Å; L479-F483 HydrophobicContact CB-CE2 4.16Å; L479-F483 HydrophobicContact CD2-CE2 4.46Å; L479-F483 WeakPolarHBondContact O-CD2 3.41Å; L479-F483 PolarHBondContact O-N 3.43Å |
| 480 | Q | 73.3 | Confident | 71.4 | Confident | 30 Ų | 30 | 83.4 Ų | 83.4 | 14% | 0.14 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 173.4 | 177.8 | -178.1 | 7.3 | 0 | 0 | 112 | A461 F464 N476 W482 R484 | A461-Q480 WeakPolarHBondContact O-CG 3.16Å; F464-Q480 HydrophobicContact CB-CB 4.47Å; N476-Q480 PolarHBondContact O-N 3.32Å; N476-Q480 VanDerWaalsContact O-N 3.1Å; Q480-W482 VanDerWaalsContact C-N 3.32Å; Q480-R484 WeakPolarHBondContact O-CG 2.99Å; Q480-R484 PolarHBondContact O-N 3.28Å; Q480-R484 VanDerWaalsContact O-N 3.16Å |
| 481 | A | 76 | Confident | 73 | Confident | 60 Ų | 60 | 80.8 Ų | 80.8 | 50% | 0.496 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E477 N478 R484 E485 | E477-A481 WeakPolarHBondContact O-CB 3.39Å; E477-A481 PolarHBondContact O-N 3.02Å; N478-A481 PolarHBondContact O-N 3.48Å; A481-R484 PolarHBondContact O-N 3.32Å; A481-E485 WeakPolarHBondContact O-CB 3.5Å; A481-E485 PolarHBondContact O-N 2.97Å |
| 482 | W | 80 | Confident | 74.3 | Confident | 73 Ų | 73 | 82.6 Ų | 82.6 | 28% | 0.277 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.7 | -49.1 | 178.5 | -170.1 | 88.5 | 0 | 0 | 0 | 112.8 | N478 L479 Q480 R484 E485 I486 A511 L512 V515 | N478-W482 WeakPolarHBondContact O-CB 3.41Å; N478-W482 PolarHBondContact O-N 3.04Å; L479-W482 PolarHBondContact O-N 3.01Å; Q480-W482 VanDerWaalsContact C-N 3.32Å; W482-R484 VanDerWaalsContact C-N 3.31Å; W482-R484 PolarHBondContact O-N 3.14Å; W482-E485 PolarHBondContact O-N 3.47Å; W482-E485 VanDerWaalsContact O-N 3.12Å; W482-I486 HydrophobicContact CD2-CG1 3.94Å; W482-I486 HydrophobicContact CE3-CG1 3.91Å; W482-I486 HydrophobicContact CH2-CD1 4.08Å; W482-I486 HydrophobicContact CH2-CG1 3.71Å; W482-I486 HydrophobicContact CZ2-CD1 3.8Å; W482-I486 HydrophobicContact CZ2-CG1 3.73Å; W482-I486 HydrophobicContact CZ3-CG1 3.8Å; W482-I486 WeakPolarHBondContact O-CG1 3.48Å; W482-I486 PolarHBondContact O-N 3.1Å; W482-A511 HydrophobicContact CZ2-CB 4.14Å; W482-L512 HydrophobicContact CH2-CD2 3.99Å; W482-L512 HydrophobicContact CZ3-CD2 4.11Å; W482-V515 HydrophobicContact CD2-CG2 4.38Å; W482-V515 HydrophobicContact CE3-CG2 4.41Å; W482-V515 HydrophobicContact CH2-CB 3.98Å; W482-V515 HydrophobicContact CH2-CG1 4.37Å; W482-V515 HydrophobicContact CH2-CG2 3.48Å; W482-V515 VanDerWaalsContact CH2-CG2 3.48Å; W482-V515 HydrophobicContact CZ2-CB 4.41Å; W482-V515 HydrophobicContact CZ2-CG2 3.42Å; W482-V515 VanDerWaalsContact CZ2-CG2 3.42Å; W482-V515 HydrophobicContact CZ3-CB 4.29Å; W482-V515 HydrophobicContact CZ3-CG1 4.16Å; W482-V515 HydrophobicContact CZ3-CG2 3.99Å |
| 483 | F | 78.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64 | -33.7 | 177.8 | -74.1 | -58.5 | 0 | 0 | 0 | 112.9 | M457 L460 A461 F464 L479 S487 L531 | M457-F483 HydrophobicContact SD-CD1 3.76Å; M457-F483 HydrophobicContact SD-CE1 4.24Å; L460-F483 HydrophobicContact CB-CG 4.41Å; L460-F483 HydrophobicContact CD1-CE1 4.41Å; A461-F483 HydrophobicContact CB-CB 3.82Å; F464-F483 AromaticContact CD2-CD2 3.89Å; F464-F483 HydrophobicContact CD2-CD2 3.89Å; F464-F483 AromaticContact CD2-CE2 3.7Å; F464-F483 HydrophobicContact CD2-CE2 3.7Å; F464-F483 HydrophobicContact CE2-CD2 4.15Å; F464-F483 AromaticContact CE2-CE2 3.5Å; F464-F483 HydrophobicContact CE2-CE2 3.5Å; F464-F483 HydrophobicContact CE2-CZ 4.32Å; F464-F483 HydrophobicContact CZ-CE2 4.4Å; L479-F483 HydrophobicContact CB-CD2 4.32Å; L479-F483 HydrophobicContact CB-CE2 4.16Å; L479-F483 HydrophobicContact CD2-CE2 4.46Å; L479-F483 WeakPolarHBondContact O-CD2 3.41Å; L479-F483 PolarHBondContact O-N 3.43Å; F483-S487 WeakPolarHBondContact O-CB 3.3Å; F483-S487 PolarHBondContact O-N 3.45Å; F483-L531 HydrophobicContact CE1-CD2 3.85Å; F483-L531 HydrophobicContact CZ-CD2 4.3Å |
| 484 | R | 80.8 | Confident | 76.3 | Confident | 137 Ų | 137 | 72.1 Ų | 72.1 | 52% | 0.517 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 171.8 | -79.6 | -176.1 | 177.2 | 172.9 | -1 | 112.6 | A461 Q480 A481 W482 S487 K488 | A461-R484 HydrophobicContact CB-CG 3.78Å; Q480-R484 WeakPolarHBondContact O-CG 2.99Å; Q480-R484 PolarHBondContact O-N 3.28Å; Q480-R484 VanDerWaalsContact O-N 3.16Å; A481-R484 PolarHBondContact O-N 3.32Å; W482-R484 VanDerWaalsContact C-N 3.31Å; W482-R484 PolarHBondContact O-N 3.14Å; R484-S487 PolarHBondContact O-N 3.42Å; R484-K488 WeakPolarHBondContact O-CB 3.39Å; R484-K488 PolarHBondContact O-N 3.03Å |
| 485 | E | 81.9 | Confident | 76.9 | Confident | 91 Ų | 91 | 66.8 Ų | 66.8 | 43% | 0.425 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68 | -41.9 | 177.2 | -175.4 | 56.6 | -152.1 | 0 | 0 | 111.1 | A481 W482 K488 Q489 | A481-E485 WeakPolarHBondContact O-CB 3.5Å; A481-E485 PolarHBondContact O-N 2.97Å; W482-E485 PolarHBondContact O-N 3.47Å; W482-E485 VanDerWaalsContact O-N 3.12Å; E485-K488 PolarHBondContact O-N 2.88Å; E485-Q489 WeakPolarHBondContact O-CB 3.44Å; E485-Q489 VanDerWaalsContact O-CG 3.3Å; E485-Q489 WeakPolarHBondContact O-CG 3.39Å; E485-Q489 PolarHBondContact O-N 3.32Å; E485-Q489 PolarHBondContact OE1-NE2 3.3Å |
| 486 | I | 81.2 | Confident | 77.2 | Confident | 7 Ų | 7 | 68.6 Ų | 68.6 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 173.8 | -66.6 | -66.1 | 0 | 0 | 0 | 111.4 | M457 W482 K488 Q489 I490 L508 | M457-I486 HydrophobicContact CG-CG2 4.21Å; M457-I486 HydrophobicContact SD-CG2 4.04Å; W482-I486 HydrophobicContact CD2-CG1 3.94Å; W482-I486 HydrophobicContact CE3-CG1 3.91Å; W482-I486 HydrophobicContact CH2-CD1 4.08Å; W482-I486 HydrophobicContact CH2-CG1 3.71Å; W482-I486 HydrophobicContact CZ2-CD1 3.8Å; W482-I486 HydrophobicContact CZ2-CG1 3.73Å; W482-I486 HydrophobicContact CZ3-CG1 3.8Å; W482-I486 WeakPolarHBondContact O-CG1 3.48Å; W482-I486 PolarHBondContact O-N 3.1Å; I486-K488 PolarHBondContact O-N 3.28Å; I486-Q489 PolarHBondContact O-N 3.1Å; I486-I490 HydrophobicContact CG2-CD1 4.01Å; I486-I490 VanDerWaalsContact O-CG1 3.3Å; I486-I490 WeakPolarHBondContact O-CG1 3.47Å; I486-I490 PolarHBondContact O-N 3.29Å; I486-L508 HydrophobicContact CD1-CD2 3.64Å; I486-L508 HydrophobicContact CG2-CD2 4.36Å |
| 487 | S | 83.3 | Confident | 77.2 | Confident | 7 Ų | 7 | 70.5 Ų | 70.5 | 5% | 0.049 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -55.8 | -49 | 173.3 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | S454 T458 F483 R484 Q489 I490 E491 | S454-S487 PolarHBondContact O-OG 3.19Å; S454-S487 PolarHBondContact OG-OG 3.44Å; T458-S487 PolarHBondContact OG1-OG 3.45Å; F483-S487 WeakPolarHBondContact O-CB 3.3Å; F483-S487 PolarHBondContact O-N 3.45Å; R484-S487 PolarHBondContact O-N 3.42Å; S487-Q489 VanDerWaalsContact C-N 3.32Å; S487-Q489 PolarHBondContact O-N 3.27Å; S487-I490 WeakPolarHBondContact O-CB 3.33Å; S487-I490 PolarHBondContact O-N 3.14Å; S487-I490 VanDerWaalsContact O-N 3.15Å; S487-E491 PolarHBondContact O-N 3.39Å |
| 488 | K | 84.8 | Confident | 77.2 | Confident | 135 Ų | 135 | 67.4 Ų | 67.4 | 59% | 0.587 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.7 | -36.9 | 176.5 | -168.8 | -179.7 | 179.9 | -174.8 | 0 | 112.7 | R484 E485 I486 E491 S492 | R484-K488 WeakPolarHBondContact O-CB 3.39Å; R484-K488 PolarHBondContact O-N 3.03Å; E485-K488 PolarHBondContact O-N 2.88Å; I486-K488 PolarHBondContact O-N 3.28Å; K488-E491 PolarHBondContact O-N 3.01Å; K488-S492 WeakPolarHBondContact O-CB 3.38Å; K488-S492 PolarHBondContact O-N 3.48Å |
| 489 | Q | 82.1 | Confident | 77.3 | Confident | 76 Ų | 76 | 65.7 Ų | 65.7 | 36% | 0.355 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 175 | -73.5 | -180 | 17.1 | 0 | 0 | 111.9 | E485 I486 S487 S492 L508 | E485-Q489 WeakPolarHBondContact O-CB 3.44Å; E485-Q489 VanDerWaalsContact O-CG 3.3Å; E485-Q489 WeakPolarHBondContact O-CG 3.39Å; E485-Q489 PolarHBondContact O-N 3.32Å; E485-Q489 PolarHBondContact OE1-NE2 3.3Å; I486-Q489 PolarHBondContact O-N 3.1Å; S487-Q489 VanDerWaalsContact C-N 3.32Å; S487-Q489 PolarHBondContact O-N 3.27Å; Q489-S492 PolarHBondContact O-N 3.39Å; Q489-S492 PolarHBondContact O-OG 2.93Å; Q489-L508 HydrophobicContact CB-CD1 4.49Å; Q489-L508 HydrophobicContact CB-CD2 4.01Å |
| 490 | I | 80.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 172.1 | -66.5 | 167.7 | 0 | 0 | 0 | 110.3 | K450 M457 I486 S487 S492 L493 L508 T534 L538 | K450-I490 WeakPolarHBondContact CE-O 3.03Å; K450-I490 HydrophobicContact CG-CG2 4.19Å; M457-I490 HydrophobicContact CG-CD1 3.93Å; I486-I490 HydrophobicContact CG2-CD1 4.01Å; I486-I490 VanDerWaalsContact O-CG1 3.3Å; I486-I490 WeakPolarHBondContact O-CG1 3.47Å; I486-I490 PolarHBondContact O-N 3.29Å; S487-I490 WeakPolarHBondContact O-CB 3.33Å; S487-I490 PolarHBondContact O-N 3.14Å; S487-I490 VanDerWaalsContact O-N 3.15Å; I490-S492 VanDerWaalsContact C-N 3.27Å; I490-S492 PolarHBondContact O-N 3.43Å; I490-L493 WeakPolarHBondContact O-CB 3.18Å; I490-L493 WeakPolarHBondContact O-CG 3.31Å; I490-L493 PolarHBondContact O-N 2.97Å; I490-L508 HydrophobicContact CG1-CD1 3.97Å; I490-T534 HydrophobicContact CD1-CG2 4.28Å; I490-L538 HydrophobicContact CD1-CD2 4.2Å; I490-L538 HydrophobicContact CG1-CD2 4.12Å; I490-L538 HydrophobicContact CG2-CD2 4.49Å |
| 491 | E | 81.9 | Confident | 77.4 | Confident | 112 Ų | 112 | 66 Ų | 66 | 52% | 0.523 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.4 | -29.7 | 175.8 | -75.4 | -177.2 | 178.5 | 0 | 0 | 113.6 | K450 S454 S487 K488 L493 | K450-E491 VanDerWaalsContact CE-C 3.49Å; K450-E491 VanDerWaalsContact CE-CA 3.47Å; K450-E491 WeakPolarHBondContact CE-O 3.39Å; K450-E491 PolarHBondContact NZ-O 3.22Å; S454-E491 WeakPolarHBondContact OG-CG 3.24Å; S454-E491 PolarHBondContact OG-OE1 3.02Å; S487-E491 PolarHBondContact O-N 3.39Å; K488-E491 PolarHBondContact O-N 3.01Å; E491-L493 VanDerWaalsContact C-N 3.25Å; E491-L493 PolarHBondContact O-N 2.66Å |
| 492 | S | 82.8 | Confident | 77.3 | Confident | 72 Ų | 72 | 63.9 Ų | 63.9 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -9 | 178.3 | 79.8 | 0 | 0 | 0 | 0 | 114.5 | K488 Q489 I490 N494 | K488-S492 WeakPolarHBondContact O-CB 3.38Å; K488-S492 PolarHBondContact O-N 3.48Å; Q489-S492 PolarHBondContact O-N 3.39Å; Q489-S492 PolarHBondContact O-OG 2.93Å; I490-S492 VanDerWaalsContact C-N 3.27Å; I490-S492 PolarHBondContact O-N 3.43Å; S492-N494 PolarHBondContact O-N 3.32Å |
| 493 | L | 80.6 | Confident | 77.2 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | trans | -64.2 | 126 | 177.1 | -65.8 | 170.3 | 0 | 0 | 0 | 109.6 | W446 K450 I490 E491 A501 K504 L508 M541 | W446-L493 HydrophobicContact CH2-CB 4.03Å; W446-L493 WeakPolarHBondContact CH2-O 3.42Å; W446-L493 HydrophobicContact CZ2-CB 4.08Å; K450-L493 PolarHBondContact NZ-O 3.14Å; I490-L493 WeakPolarHBondContact O-CB 3.18Å; I490-L493 WeakPolarHBondContact O-CG 3.31Å; I490-L493 PolarHBondContact O-N 2.97Å; E491-L493 VanDerWaalsContact C-N 3.25Å; E491-L493 PolarHBondContact O-N 2.66Å; L493-A501 HydrophobicContact CD2-CB 4.37Å; L493-K504 HydrophobicContact CD2-CB 3.87Å; L493-L508 HydrophobicContact CD1-CD1 4.45Å; L493-M541 HydrophobicContact CD1-CE 3.84Å | ||
| 494 | N | 75.6 | Confident | 77.2 | Confident | 75 Ų | 75 | 74.4 Ų | 74.4 | 40% | 0.401 | 37% | 0.368 | S | S | . | . | trans | -101.2 | 141.5 | 175.6 | -167.3 | 3.3 | 0 | 0 | 0 | 110.4 | S492 E496 A501 | S492-N494 PolarHBondContact O-N 3.32Å; N494-E496 PolarHBondContact OD1-N 2.99Å; N494-A501 WeakPolarHBondContact O-CB 3.43Å | ||
| 495 | Y | 71.6 | Confident | 77.1 | Confident | 66 Ų | 66 | 67.9 Ų | 67.9 | 26% | 0.259 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -73.5 | -35 | 177.8 | -177.8 | -97.6 | 0 | 0 | 0 | 112.3 | K442 W446 D497 | K442-Y495 VanDerWaalsContact CD-OH 3.32Å; K442-Y495 WeakPolarHBondContact CD-OH 3.47Å; K442-Y495 VanDerWaalsContact CE-OH 3.32Å; K442-Y495 WeakPolarHBondContact CE-OH 3.38Å; K442-Y495 HydrophobicContact CG-CE2 4.45Å; W446-Y495 HydrophobicContact CB-CD2 4.43Å; W446-Y495 HydrophobicContact CB-CE2 4.46Å; W446-Y495 AromaticContact CD2-CD2 3.89Å; W446-Y495 HydrophobicContact CD2-CD2 3.89Å; W446-Y495 AromaticContact CE3-CD2 3.9Å; W446-Y495 HydrophobicContact CE3-CD2 3.9Å; W446-Y495 HydrophobicContact CE3-CG 4.48Å; W446-Y495 HydrophobicContact CG-CD2 4.13Å; W446-Y495 HydrophobicContact CG-CE2 4.48Å; W446-Y495 HydrophobicContact CZ3-CD2 4.44Å; Y495-D497 VanDerWaalsContact C-N 3.34Å; Y495-D497 PolarHBondContact O-N 3.28Å |
| 496 | E | 68.6 | Low | 77 | Confident | 164 Ų | 164 | 67.5 Ų | 67.5 | 77% | 0.766 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -64.2 | -37.2 | -175.9 | -63.9 | -179.8 | 157.8 | 0 | 0 | 112.2 | N494 S498 | N494-E496 PolarHBondContact OD1-N 2.99Å; E496-S498 PolarHBondContact O-N 3.28Å |
| 497 | D | 70.3 | Confident | 77.1 | Confident | 103 Ų | 103 | 73.5 Ų | 73.5 | 55% | 0.551 | 38% | 0.375 | S | S | * | . | trans | -92.6 | 61 | 177.4 | -78.8 | -35.9 | 0 | 0 | 0 | 112.4 | Y495 T499 A500 A501 | Y495-D497 VanDerWaalsContact C-N 3.34Å; Y495-D497 PolarHBondContact O-N 3.28Å; D497-T499 VanDerWaalsContact C-N 3.26Å; D497-T499 PolarHBondContact O-N 3.37Å; D497-T499 VanDerWaalsContact O-N 3.08Å; D497-A500 HydrophobicContact CB-CB 4.17Å; D497-A500 PolarHBondContact O-N 2.89Å; D497-A500 VanDerWaalsContact O-N 3.09Å; D497-A501 WeakPolarHBondContact O-CB 3.25Å; D497-A501 PolarHBondContact O-N 3.07Å | ||
| 498 | S | 66.8 | Low | 77 | Confident | 57 Ų | 57 | 73.5 Ų | 73.5 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -46.3 | -39.8 | -176.5 | 55.9 | 0 | 0 | 0 | 0 | 115.6 | E496 G502 | E496-S498 PolarHBondContact O-N 3.28Å; S498-G502 PolarHBondContact O-N 2.97Å |
| 499 | T | 73.1 | Confident | 76.8 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 60% | 0.601 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -78.9 | -36.4 | -179.2 | 31.6 | 0 | 0 | 0 | 0 | 113.5 | D497 R503 | D497-T499 VanDerWaalsContact C-N 3.26Å; D497-T499 PolarHBondContact O-N 3.37Å; D497-T499 VanDerWaalsContact O-N 3.08Å; T499-R503 WeakPolarHBondContact O-CG 3.31Å; T499-R503 PolarHBondContact O-N 3.18Å |
| 500 | A | 72.6 | Confident | 76.8 | Confident | 46 Ų | 46 | 69.1 Ų | 69.1 | 38% | 0.38 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -74.9 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D497 R503 K504 | D497-A500 HydrophobicContact CB-CB 4.17Å; D497-A500 PolarHBondContact O-N 2.89Å; D497-A500 VanDerWaalsContact O-N 3.09Å; A500-R503 PolarHBondContact O-N 3.22Å; A500-K504 WeakPolarHBondContact O-CG 3.39Å; A500-K504 PolarHBondContact O-N 2.82Å |
| 501 | A | 71.8 | Confident | 76.8 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 3% | 0.033 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.2 | -48.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L493 N494 D497 R503 K504 T505 I545 | L493-A501 HydrophobicContact CD2-CB 4.37Å; N494-A501 WeakPolarHBondContact O-CB 3.43Å; D497-A501 WeakPolarHBondContact O-CB 3.25Å; D497-A501 PolarHBondContact O-N 3.07Å; A501-R503 PolarHBondContact O-N 3.37Å; A501-K504 PolarHBondContact O-N 3.2Å; A501-T505 PolarHBondContact O-N 3.48Å; A501-T505 PolarHBondContact O-OG1 2.9Å; A501-I545 HydrophobicContact CB-CD1 4.43Å |
| 502 | G | 74.6 | Confident | 76.5 | Confident | 15 Ų | 15 | 65 Ų | 65 | 16% | 0.155 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.9 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S498 T505 V506 | S498-G502 PolarHBondContact O-N 2.97Å; G502-T505 PolarHBondContact O-N 3.27Å; G502-V506 WeakPolarHBondContact O-CG2 3.49Å; G502-V506 PolarHBondContact O-N 3.36Å; G502-V506 VanDerWaalsContact O-N 3.1Å |
| 503 | R | 78.7 | Confident | 76.3 | Confident | 181 Ų | 181 | 63.2 Ų | 63.2 | 68% | 0.683 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.4 | -43.4 | 177.6 | -69.3 | -178 | -144.3 | -175.8 | 5.5 | 112.4 | T499 A500 A501 T505 V506 Q507 | T499-R503 WeakPolarHBondContact O-CG 3.31Å; T499-R503 PolarHBondContact O-N 3.18Å; A500-R503 PolarHBondContact O-N 3.22Å; A501-R503 PolarHBondContact O-N 3.37Å; R503-T505 VanDerWaalsContact C-N 3.34Å; R503-V506 PolarHBondContact O-N 3.05Å; R503-Q507 WeakPolarHBondContact O-CG 3.33Å; R503-Q507 PolarHBondContact O-N 2.9Å; R503-Q507 VanDerWaalsContact O-N 3.14Å |
| 504 | K | 78 | Confident | 76 | Confident | 112 Ų | 112 | 67.1 Ų | 67.1 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 176.1 | -74.2 | -175.8 | 179.7 | -178.4 | 0 | 111.5 | L493 A500 A501 V506 Q507 L508 | L493-K504 HydrophobicContact CD2-CB 3.87Å; A500-K504 WeakPolarHBondContact O-CG 3.39Å; A500-K504 PolarHBondContact O-N 2.82Å; A501-K504 PolarHBondContact O-N 3.2Å; K504-V506 VanDerWaalsContact C-N 3.34Å; K504-V506 PolarHBondContact O-N 3.14Å; K504-Q507 WeakPolarHBondContact O-CB 3.32Å; K504-Q507 PolarHBondContact O-N 3.3Å; K504-L508 WeakPolarHBondContact O-CG 3.45Å; K504-L508 PolarHBondContact O-N 3.24Å |
| 505 | T | 78.1 | Confident | 75.9 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 176.6 | -52.8 | 0 | 0 | 0 | 0 | 112.3 | A501 G502 R503 L508 I509 L538 I542 | A501-T505 PolarHBondContact O-N 3.48Å; A501-T505 PolarHBondContact O-OG1 2.9Å; G502-T505 PolarHBondContact O-N 3.27Å; R503-T505 VanDerWaalsContact C-N 3.34Å; T505-L508 PolarHBondContact O-N 2.95Å; T505-I509 HydrophobicContact CG2-CD1 4.31Å; T505-I509 VanDerWaalsContact O-CG1 3.31Å; T505-I509 WeakPolarHBondContact O-CG1 3.31Å; T505-I509 PolarHBondContact O-N 3.33Å; T505-L538 HydrophobicContact CG2-CB 3.76Å; T505-L538 HydrophobicContact CG2-CD2 4Å; T505-L538 HydrophobicContact CG2-CG 4.33Å; T505-I542 HydrophobicContact CG2-CD1 3.81Å; T505-I542 HydrophobicContact CG2-CG1 3.73Å |
| 506 | V | 81.3 | Confident | 75.6 | Confident | 83 Ų | 83 | 63.2 Ų | 63.2 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 174 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | G502 R503 K504 L508 I509 Q510 I542 | G502-V506 WeakPolarHBondContact O-CG2 3.49Å; G502-V506 PolarHBondContact O-N 3.36Å; G502-V506 VanDerWaalsContact O-N 3.1Å; R503-V506 PolarHBondContact O-N 3.05Å; K504-V506 VanDerWaalsContact C-N 3.34Å; K504-V506 PolarHBondContact O-N 3.14Å; V506-L508 VanDerWaalsContact C-N 3.33Å; V506-L508 PolarHBondContact O-N 2.86Å; V506-I509 PolarHBondContact O-N 3.28Å; V506-Q510 PolarHBondContact O-N 2.89Å; V506-I542 HydrophobicContact CG2-CD1 3.64Å |
| 507 | Q | 82 | Confident | 75.5 | Confident | 133 Ų | 133 | 62.1 Ų | 62.1 | 62% | 0.621 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 175.2 | -69.7 | 173.2 | -10.7 | 0 | 0 | 111.9 | R503 K504 Q510 A511 | R503-Q507 WeakPolarHBondContact O-CG 3.33Å; R503-Q507 PolarHBondContact O-N 2.9Å; R503-Q507 VanDerWaalsContact O-N 3.14Å; K504-Q507 WeakPolarHBondContact O-CB 3.32Å; K504-Q507 PolarHBondContact O-N 3.3Å; Q507-Q510 PolarHBondContact O-N 3.38Å; Q507-A511 WeakPolarHBondContact O-CB 3.4Å; Q507-A511 PolarHBondContact O-N 3.4Å |
| 508 | L | 80.9 | Confident | 75 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 175.7 | -69.5 | 169.9 | 0 | 0 | 0 | 112.3 | I486 Q489 I490 L493 K504 T505 V506 A511 L512 L538 | I486-L508 HydrophobicContact CD1-CD2 3.64Å; I486-L508 HydrophobicContact CG2-CD2 4.36Å; Q489-L508 HydrophobicContact CB-CD1 4.49Å; Q489-L508 HydrophobicContact CB-CD2 4.01Å; I490-L508 HydrophobicContact CG1-CD1 3.97Å; L493-L508 HydrophobicContact CD1-CD1 4.45Å; K504-L508 WeakPolarHBondContact O-CG 3.45Å; K504-L508 PolarHBondContact O-N 3.24Å; T505-L508 PolarHBondContact O-N 2.95Å; V506-L508 VanDerWaalsContact C-N 3.33Å; V506-L508 PolarHBondContact O-N 2.86Å; L508-A511 PolarHBondContact O-N 3.43Å; L508-L512 VanDerWaalsContact O-CG 3.27Å; L508-L512 WeakPolarHBondContact O-CG 3.44Å; L508-L512 PolarHBondContact O-N 3.07Å; L508-L538 HydrophobicContact CB-CD1 4.09Å |
| 509 | I | 81.9 | Confident | 74.7 | Confident | 16 Ų | 16 | 66.9 Ų | 66.9 | 8% | 0.082 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 175.2 | -68.4 | 164.3 | 0 | 0 | 0 | 110.5 | T505 V506 A511 L512 V513 L538 I542 | T505-I509 HydrophobicContact CG2-CD1 4.31Å; T505-I509 VanDerWaalsContact O-CG1 3.31Å; T505-I509 WeakPolarHBondContact O-CG1 3.31Å; T505-I509 PolarHBondContact O-N 3.33Å; V506-I509 PolarHBondContact O-N 3.28Å; I509-A511 VanDerWaalsContact C-N 3.35Å; I509-A511 PolarHBondContact O-N 3.06Å; I509-L512 PolarHBondContact O-N 2.92Å; I509-V513 WeakPolarHBondContact O-CG2 3.19Å; I509-V513 PolarHBondContact O-N 3.39Å; I509-L538 HydrophobicContact CD1-CB 3.85Å; I509-L538 HydrophobicContact CG1-CB 3.65Å; I509-L538 HydrophobicContact CG1-CD1 3.91Å; I509-L538 HydrophobicContact CG1-CG 4.46Å; I509-I542 HydrophobicContact CD1-CD1 3.68Å |
| 510 | Q | 81.6 | Confident | 73.9 | Confident | 103 Ų | 103 | 70.1 Ų | 70.1 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 178.3 | -174.9 | 61.7 | 29.4 | 0 | 0 | 111.2 | V506 Q507 L512 V513 E514 | V506-Q510 PolarHBondContact O-N 2.89Å; Q507-Q510 PolarHBondContact O-N 3.38Å; Q510-L512 VanDerWaalsContact C-N 3.31Å; Q510-L512 PolarHBondContact O-N 2.85Å; Q510-V513 PolarHBondContact O-N 3.06Å; Q510-V513 VanDerWaalsContact O-N 3.17Å; Q510-E514 WeakPolarHBondContact CG-OE1 3.41Å; Q510-E514 PolarHBondContact NE2-OE1 3.42Å; Q510-E514 WeakPolarHBondContact O-CG 3.27Å; Q510-E514 PolarHBondContact O-N 3.2Å |
| 511 | A | 80.1 | Confident | 73.3 | Confident | 27 Ų | 27 | 68.7 Ų | 68.7 | 22% | 0.223 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.2 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | W482 Q507 L508 I509 V515 | W482-A511 HydrophobicContact CZ2-CB 4.14Å; Q507-A511 WeakPolarHBondContact O-CB 3.4Å; Q507-A511 PolarHBondContact O-N 3.4Å; L508-A511 PolarHBondContact O-N 3.43Å; I509-A511 VanDerWaalsContact C-N 3.35Å; I509-A511 PolarHBondContact O-N 3.06Å; A511-V515 WeakPolarHBondContact O-CG2 3.49Å; A511-V515 PolarHBondContact O-N 3.46Å; A511-V515 VanDerWaalsContact O-N 3.08Å |
| 512 | L | 76.5 | Confident | 72.5 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.1 | -33.6 | 175.5 | -71.9 | 167.7 | 0 | 0 | 0 | 113 | M457 W482 L508 I509 Q510 Q516 L531 T534 R535 L538 | M457-L512 HydrophobicContact CE-CD2 4.17Å; M457-L512 HydrophobicContact SD-CD2 3.92Å; W482-L512 HydrophobicContact CH2-CD2 3.99Å; W482-L512 HydrophobicContact CZ3-CD2 4.11Å; L508-L512 VanDerWaalsContact O-CG 3.27Å; L508-L512 WeakPolarHBondContact O-CG 3.44Å; L508-L512 PolarHBondContact O-N 3.07Å; I509-L512 PolarHBondContact O-N 2.92Å; Q510-L512 VanDerWaalsContact C-N 3.31Å; Q510-L512 PolarHBondContact O-N 2.85Å; L512-Q516 PolarHBondContact O-N 3.49Å; L512-L531 HydrophobicContact CD2-CD2 3.75Å; L512-T534 HydrophobicContact CD1-CG2 4.15Å; L512-R535 HydrophobicContact CB-CG 4.1Å; L512-R535 HydrophobicContact CD1-CG 4.15Å; L512-L538 HydrophobicContact CD1-CD1 3.68Å |
| 513 | V | 77.1 | Confident | 71.7 | Confident | 33 Ų | 33 | 80.2 Ų | 80.2 | 20% | 0.2 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.9 | -45.3 | 175.1 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | I509 Q510 V515 Q516 E517 | I509-V513 WeakPolarHBondContact O-CG2 3.19Å; I509-V513 PolarHBondContact O-N 3.39Å; Q510-V513 PolarHBondContact O-N 3.06Å; Q510-V513 VanDerWaalsContact O-N 3.17Å; V513-V515 PolarHBondContact O-N 3.31Å; V513-Q516 WeakPolarHBondContact O-CB 3.47Å; V513-Q516 PolarHBondContact O-N 3Å; V513-Q516 VanDerWaalsContact O-N 3.15Å; V513-E517 PolarHBondContact O-N 2.94Å |
| 514 | E | 74.7 | Confident | 71.1 | Confident | 86 Ų | 86 | 73.4 Ų | 73.4 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 178.8 | -72.1 | 170.5 | -168.7 | 0 | 0 | 111.5 | Q510 Q516 E517 F518 | Q510-E514 WeakPolarHBondContact CG-OE1 3.41Å; Q510-E514 PolarHBondContact NE2-OE1 3.42Å; Q510-E514 WeakPolarHBondContact O-CG 3.27Å; Q510-E514 PolarHBondContact O-N 3.2Å; E514-Q516 VanDerWaalsContact C-N 3.28Å; E514-Q516 PolarHBondContact O-N 3.37Å; E514-E517 PolarHBondContact O-N 3.39Å; E514-E517 VanDerWaalsContact O-N 3.15Å; E514-F518 HydrophobicContact CB-CD2 4.43Å; E514-F518 VanDerWaalsContact O-CD2 3.3Å; E514-F518 WeakPolarHBondContact O-CD2 3.43Å; E514-F518 PolarHBondContact O-N 3.48Å |
| 515 | V | 73.1 | Confident | 70.6 | Confident | 18 Ų | 18 | 74.9 Ų | 74.9 | 11% | 0.109 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.5 | -31.1 | 176.6 | 169.8 | 0 | 0 | 0 | 0 | 112.7 | W482 A511 V513 E517 L521 | W482-V515 HydrophobicContact CD2-CG2 4.38Å; W482-V515 HydrophobicContact CE3-CG2 4.41Å; W482-V515 HydrophobicContact CH2-CB 3.98Å; W482-V515 HydrophobicContact CH2-CG1 4.37Å; W482-V515 HydrophobicContact CH2-CG2 3.48Å; W482-V515 VanDerWaalsContact CH2-CG2 3.48Å; W482-V515 HydrophobicContact CZ2-CB 4.41Å; W482-V515 HydrophobicContact CZ2-CG2 3.42Å; W482-V515 VanDerWaalsContact CZ2-CG2 3.42Å; W482-V515 HydrophobicContact CZ3-CB 4.29Å; W482-V515 HydrophobicContact CZ3-CG1 4.16Å; W482-V515 HydrophobicContact CZ3-CG2 3.99Å; A511-V515 WeakPolarHBondContact O-CG2 3.49Å; A511-V515 PolarHBondContact O-N 3.46Å; A511-V515 VanDerWaalsContact O-N 3.08Å; V513-V515 PolarHBondContact O-N 3.31Å; V515-E517 VanDerWaalsContact C-N 3.33Å; V515-L521 HydrophobicContact CG1-CD1 4.07Å |
| 516 | Q | 65.5 | Low | 70.1 | Confident | 41 Ų | 41 | 79.4 Ų | 79.4 | 19% | 0.192 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 174.1 | -169.2 | 174.9 | 2.6 | 0 | 0 | 111.6 | L512 V513 E514 R535 | L512-Q516 PolarHBondContact O-N 3.49Å; V513-Q516 WeakPolarHBondContact O-CB 3.47Å; V513-Q516 PolarHBondContact O-N 3Å; V513-Q516 VanDerWaalsContact O-N 3.15Å; E514-Q516 VanDerWaalsContact C-N 3.28Å; E514-Q516 PolarHBondContact O-N 3.37Å; Q516-R535 VanDerWaalsContact OE1-NH1 3.14Å |
| 517 | E | 66.9 | Low | 69.6 | Low | 142 Ų | 142 | 75.7 Ų | 75.7 | 66% | 0.664 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -81.3 | -37.2 | -178.5 | -67.6 | -179 | 173.8 | 0 | 0 | 113.6 | V513 E514 V515 H519 | V513-E517 PolarHBondContact O-N 2.94Å; E514-E517 PolarHBondContact O-N 3.39Å; E514-E517 VanDerWaalsContact O-N 3.15Å; V515-E517 VanDerWaalsContact C-N 3.33Å; E517-H519 PolarHBondContact O-N 2.96Å |
| 518 | F | 60.8 | Low | 69.2 | Low | 160 Ų | 160 | 70.5 Ų | 70.5 | 70% | 0.702 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -78.9 | -13.6 | -172.1 | -90.1 | -81.5 | 0 | 0 | 0 | 115.7 | E514 | E514-F518 HydrophobicContact CB-CD2 4.43Å; E514-F518 VanDerWaalsContact O-CD2 3.3Å; E514-F518 WeakPolarHBondContact O-CD2 3.43Å; E514-F518 PolarHBondContact O-N 3.48Å |
| 519 | H | 59 | Low | 68.9 | Low | 100 Ų | 100 | 75.3 Ų | 75.3 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 12.6 | -167.5 | -71.3 | -17 | 0 | 0 | 0 | 116.4 | E517 L521 | E517-H519 PolarHBondContact O-N 2.96Å; H519-L521 HydrophobicContact CB-CD1 3.87Å; H519-L521 HydrophobicContact CB-CG 3.85Å; H519-L521 PolarHBondContact O-N 2.88Å |
| 520 | Q | 57.3 | Low | 68.6 | Low | 165 Ų | 165 | 76.8 Ų | 76.8 | 77% | 0.771 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 28.3 | -177 | -63.7 | 179.8 | -11.7 | 0 | 0 | 113.3 | E522 S523 | Q520-E522 PolarHBondContact O-N 3.36Å; Q520-E522 VanDerWaalsContact O-N 3.12Å; Q520-S523 PolarHBondContact O-N 2.88Å; Q520-S523 PolarHBondContact O-OG 3.37Å |
| 521 | L | 59.4 | Low | 68.3 | Low | 16 Ų | 16 | 71.9 Ų | 71.9 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -67.6 | -8.9 | 178.8 | -74.4 | 166.7 | 0 | 0 | 0 | 112.6 | F464 V515 H519 S523 N524 V527 C528 | F464-L521 HydrophobicContact CE1-CD2 4.39Å; F464-L521 HydrophobicContact CZ-CD2 3.9Å; V515-L521 HydrophobicContact CG1-CD1 4.07Å; H519-L521 HydrophobicContact CB-CD1 3.87Å; H519-L521 HydrophobicContact CB-CG 3.85Å; H519-L521 PolarHBondContact O-N 2.88Å; L521-S523 PolarHBondContact O-N 2.85Å; L521-S523 VanDerWaalsContact O-N 3.14Å; L521-N524 PolarHBondContact O-N 2.86Å; L521-N524 VanDerWaalsContact O-N 3.17Å; L521-V527 HydrophobicContact CD2-CG1 4.19Å; L521-C528 PolarHBondContact O-SG 3.24Å |
| 522 | E | 55.7 | Low | 68.3 | Low | 149 Ų | 149 | 72.7 Ų | 72.7 | 70% | 0.696 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -53.5 | -26.1 | 169.4 | -61.5 | -174.4 | 160.6 | 0 | 0 | 113.5 | Q520 N524 | Q520-E522 PolarHBondContact O-N 3.36Å; Q520-E522 VanDerWaalsContact O-N 3.12Å; E522-N524 VanDerWaalsContact C-N 3.27Å; E522-N524 PolarHBondContact O-N 2.85Å |
| 523 | S | 56.6 | Low | 68.6 | Low | 112 Ų | 112 | 75 Ų | 75 | 78% | 0.783 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -68 | -20.6 | 179.7 | 55.5 | 0 | 0 | 0 | 0 | 114.2 | Q520 L521 | Q520-S523 PolarHBondContact O-N 2.88Å; Q520-S523 PolarHBondContact O-OG 3.37Å; L521-S523 PolarHBondContact O-N 2.85Å; L521-S523 VanDerWaalsContact O-N 3.14Å |
| 524 | N | 66.7 | Low | 68.8 | Low | 39 Ų | 39 | 73.4 Ų | 73.4 | 21% | 0.209 | 37% | 0.371 | C | S | . | . | trans | -115 | 101.7 | -179.3 | -167.2 | -17.1 | 0 | 0 | 0 | 111.8 | V473 L521 E522 Q526 V527 C528 | V473-N524 WeakPolarHBondContact CG2-ND2 3.39Å; L521-N524 PolarHBondContact O-N 2.86Å; L521-N524 VanDerWaalsContact O-N 3.17Å; E522-N524 VanDerWaalsContact C-N 3.27Å; E522-N524 PolarHBondContact O-N 2.85Å; N524-Q526 PolarHBondContact O-N 3.14Å; N524-Q526 VanDerWaalsContact O-N 3.15Å; N524-Q526 PolarHBondContact OD1-N 3.42Å; N524-V527 HydrophobicContact CB-CB 4.33Å; N524-V527 HydrophobicContact CB-CG2 4.22Å; N524-V527 PolarHBondContact O-N 2.93Å; N524-V527 VanDerWaalsContact O-N 3.14Å; N524-C528 PolarHBondContact O-N 3.49Å; N524-C528 VanDerWaalsContact O-N 3.1Å | ||
| 525 | L | 67.3 | Low | 69.1 | Low | 143 Ų | 143 | 72.7 Ų | 72.7 | 75% | 0.749 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -52.5 | -38.6 | -177.3 | -166.3 | 83 | 0 | 0 | 0 | 113 | Q529 | L525-Q529 WeakPolarHBondContact O-CB 3.33Å; L525-Q529 PolarHBondContact O-N 3.02Å |
| 526 | Q | 68.3 | Low | 69.7 | Low | 95 Ų | 95 | 76.8 Ų | 76.8 | 44% | 0.444 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.5 | -45.3 | -178.8 | -77.1 | 175.3 | -10 | 0 | 0 | 111.5 | N524 C528 Q529 F530 | N524-Q526 PolarHBondContact O-N 3.14Å; N524-Q526 VanDerWaalsContact O-N 3.15Å; N524-Q526 PolarHBondContact OD1-N 3.42Å; Q526-C528 VanDerWaalsContact C-N 3.32Å; Q526-C528 PolarHBondContact O-N 3.02Å; Q526-Q529 WeakPolarHBondContact O-CB 3.31Å; Q526-Q529 PolarHBondContact O-N 3.36Å; Q526-F530 WeakPolarHBondContact O-CD2 3.29Å; Q526-F530 PolarHBondContact O-N 2.91Å |
| 527 | V | 71.1 | Confident | 70.5 | Confident | 4 Ų | 4 | 76.2 Ų | 76.2 | 2% | 0.024 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 178.2 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | L460 F464 L521 N524 Q529 F530 L531 | L460-V527 HydrophobicContact CD2-CB 4.28Å; L460-V527 HydrophobicContact CD2-CG1 3.95Å; L460-V527 HydrophobicContact CD2-CG2 4.04Å; F464-V527 HydrophobicContact CE2-CG1 4.39Å; F464-V527 HydrophobicContact CE2-CG2 4.43Å; F464-V527 HydrophobicContact CZ-CG1 4.29Å; F464-V527 HydrophobicContact CZ-CG2 4.19Å; L521-V527 HydrophobicContact CD2-CG1 4.19Å; N524-V527 HydrophobicContact CB-CB 4.33Å; N524-V527 HydrophobicContact CB-CG2 4.22Å; N524-V527 PolarHBondContact O-N 2.93Å; N524-V527 VanDerWaalsContact O-N 3.14Å; V527-Q529 VanDerWaalsContact C-N 3.29Å; V527-Q529 PolarHBondContact O-N 3.27Å; V527-F530 PolarHBondContact O-N 3.48Å; V527-L531 HydrophobicContact CG1-CD1 3.93Å; V527-L531 HydrophobicContact CG1-CG 4.35Å; V527-L531 WeakPolarHBondContact O-CB 3.46Å; V527-L531 VanDerWaalsContact O-CG 3.27Å; V527-L531 WeakPolarHBondContact O-CG 3.38Å; V527-L531 PolarHBondContact O-N 2.94Å |
| 528 | C | 71.9 | Confident | 71.2 | Confident | 24 Ų | 24 | 69.4 Ų | 69.4 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.9 | -41 | 171.6 | -77.1 | 0 | 0 | 0 | 0 | 112.6 | L521 N524 Q526 A532 | L521-C528 PolarHBondContact O-SG 3.24Å; N524-C528 PolarHBondContact O-N 3.49Å; N524-C528 VanDerWaalsContact O-N 3.1Å; Q526-C528 VanDerWaalsContact C-N 3.32Å; Q526-C528 PolarHBondContact O-N 3.02Å; C528-A532 VanDerWaalsContact O-CB 3.22Å; C528-A532 WeakPolarHBondContact O-CB 3.34Å; C528-A532 PolarHBondContact O-N 2.97Å |
| 529 | Q | 75.1 | Confident | 72.3 | Confident | 108 Ų | 108 | 65.5 Ų | 65.5 | 51% | 0.505 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.6 | -45.9 | 177.8 | -171.8 | 172.6 | -1.3 | 0 | 0 | 112.1 | L525 Q526 V527 L531 A532 D533 | L525-Q529 WeakPolarHBondContact O-CB 3.33Å; L525-Q529 PolarHBondContact O-N 3.02Å; Q526-Q529 WeakPolarHBondContact O-CB 3.31Å; Q526-Q529 PolarHBondContact O-N 3.36Å; V527-Q529 VanDerWaalsContact C-N 3.29Å; V527-Q529 PolarHBondContact O-N 3.27Å; Q529-L531 VanDerWaalsContact C-N 3.35Å; Q529-L531 PolarHBondContact O-N 3.28Å; Q529-A532 PolarHBondContact O-N 3.02Å; Q529-D533 WeakPolarHBondContact O-CB 3.36Å; Q529-D533 VanDerWaalsContact O-CG 3.23Å; Q529-D533 PolarHBondContact O-N 3.41Å |
| 530 | F | 75.8 | Confident | 73.3 | Confident | 47 Ų | 47 | 61.8 Ų | 61.8 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.4 | -38 | 176.6 | -80.9 | -85.3 | 0 | 0 | 0 | 112.7 | R456 E459 L460 Q526 V527 T534 | R456-F530 HydrophobicContact CB-CD1 4.16Å; R456-F530 HydrophobicContact CG-CD1 4.3Å; E459-F530 WeakPolarHBondContact OE2-CE1 3.46Å; L460-F530 HydrophobicContact CD1-CB 3.6Å; L460-F530 HydrophobicContact CD2-CB 3.95Å; L460-F530 HydrophobicContact CD2-CD2 4.5Å; L460-F530 HydrophobicContact CD2-CG 4.35Å; L460-F530 HydrophobicContact CG-CB 3.81Å; L460-F530 HydrophobicContact CG-CG 4.24Å; Q526-F530 WeakPolarHBondContact O-CD2 3.29Å; Q526-F530 PolarHBondContact O-N 2.91Å; V527-F530 PolarHBondContact O-N 3.48Å; F530-T534 WeakPolarHBondContact O-CB 3.43Å; F530-T534 PolarHBondContact O-N 3.5Å; F530-T534 PolarHBondContact O-OG1 3.33Å |
| 531 | L | 75.9 | Confident | 74.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 173.3 | -72.1 | 171.2 | 0 | 0 | 0 | 111.5 | M457 L460 F483 L512 V527 Q529 T534 R535 | M457-L531 HydrophobicContact CE-CD2 4.09Å; L460-L531 HydrophobicContact CD1-CD2 4.31Å; L460-L531 HydrophobicContact CD1-CG 4.42Å; F483-L531 HydrophobicContact CE1-CD2 3.85Å; F483-L531 HydrophobicContact CZ-CD2 4.3Å; L512-L531 HydrophobicContact CD2-CD2 3.75Å; V527-L531 HydrophobicContact CG1-CD1 3.93Å; V527-L531 HydrophobicContact CG1-CG 4.35Å; V527-L531 WeakPolarHBondContact O-CB 3.46Å; V527-L531 VanDerWaalsContact O-CG 3.27Å; V527-L531 WeakPolarHBondContact O-CG 3.38Å; V527-L531 PolarHBondContact O-N 2.94Å; Q529-L531 VanDerWaalsContact C-N 3.35Å; Q529-L531 PolarHBondContact O-N 3.28Å; L531-T534 PolarHBondContact O-N 3.28Å; L531-R535 WeakPolarHBondContact O-CB 3.41Å; L531-R535 VanDerWaalsContact O-CG 3.31Å; L531-R535 WeakPolarHBondContact O-CG 3.35Å; L531-R535 PolarHBondContact O-N 3.44Å |
| 532 | A | 79.9 | Confident | 75.1 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C528 Q529 R535 K536 | C528-A532 VanDerWaalsContact O-CB 3.22Å; C528-A532 WeakPolarHBondContact O-CB 3.34Å; C528-A532 PolarHBondContact O-N 2.97Å; Q529-A532 PolarHBondContact O-N 3.02Å; A532-R535 PolarHBondContact O-N 3.49Å; A532-K536 WeakPolarHBondContact O-CB 3.41Å; A532-K536 PolarHBondContact O-N 2.94Å |
| 533 | D | 81.8 | Confident | 76 | Confident | 48 Ų | 48 | 51 Ų | 51 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 177 | -72.4 | -20.7 | 0 | 0 | 0 | 110.8 | Q529 K536 F537 | Q529-D533 WeakPolarHBondContact O-CB 3.36Å; Q529-D533 VanDerWaalsContact O-CG 3.23Å; Q529-D533 PolarHBondContact O-N 3.41Å; D533-K536 CarbonylContact O-C 3.35Å; D533-K536 WeakPolarHBondContact O-CA 3.35Å; D533-K536 WeakPolarHBondContact O-CB 3.34Å; D533-K536 PolarHBondContact O-N 2.9Å; D533-K536 VanDerWaalsContact O-N 3.14Å; D533-F537 HydrophobicContact CB-CE2 4.23Å; D533-F537 WeakPolarHBondContact O-CD2 3.42Å; D533-F537 WeakPolarHBondContact O-CG 3.34Å; D533-F537 PolarHBondContact O-N 3.46Å |
| 534 | T | 81.4 | Confident | 77 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 176.3 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | M457 I490 L512 F530 L531 K536 F537 L538 | M457-T534 VanDerWaalsContact CE-CB 3.46Å; M457-T534 HydrophobicContact CE-CG2 3.58Å; M457-T534 WeakPolarHBondContact CE-OG1 3.33Å; M457-T534 HydrophobicContact CG-CG2 3.85Å; M457-T534 HydrophobicContact SD-CG2 4.2Å; I490-T534 HydrophobicContact CD1-CG2 4.28Å; L512-T534 HydrophobicContact CD1-CG2 4.15Å; F530-T534 WeakPolarHBondContact O-CB 3.43Å; F530-T534 PolarHBondContact O-N 3.5Å; F530-T534 PolarHBondContact O-OG1 3.33Å; L531-T534 PolarHBondContact O-N 3.28Å; T534-K536 VanDerWaalsContact C-N 3.26Å; T534-K536 PolarHBondContact O-N 2.97Å; T534-F537 PolarHBondContact O-N 3.27Å; T534-L538 HydrophobicContact CG2-CD1 4.43Å; T534-L538 HydrophobicContact CG2-CG 4.45Å; T534-L538 WeakPolarHBondContact O-CG 3.37Å; T534-L538 PolarHBondContact O-N 2.99Å |
| 535 | R | 81.9 | Confident | 77.4 | Confident | 71 Ų | 71 | 45 Ų | 45 | 27% | 0.268 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.7 | -41.9 | 171.9 | -78.4 | 171.6 | 48.6 | -167.7 | -5.9 | 111.4 | L512 Q516 L531 A532 L538 H539 | L512-R535 HydrophobicContact CB-CG 4.1Å; L512-R535 HydrophobicContact CD1-CG 4.15Å; Q516-R535 VanDerWaalsContact OE1-NH1 3.14Å; L531-R535 WeakPolarHBondContact O-CB 3.41Å; L531-R535 VanDerWaalsContact O-CG 3.31Å; L531-R535 WeakPolarHBondContact O-CG 3.35Å; L531-R535 PolarHBondContact O-N 3.44Å; A532-R535 PolarHBondContact O-N 3.49Å; R535-L538 PolarHBondContact O-N 3.36Å; R535-H539 WeakPolarHBondContact O-CB 3.39Å; R535-H539 PolarHBondContact O-CD2 3.06Å; R535-H539 PolarHBondContact O-N 3.48Å |
| 536 | K | 84.5 | Confident | 77.7 | Confident | 104 Ų | 104 | 43.2 Ų | 43.2 | 45% | 0.452 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 176.9 | -172.9 | -178.1 | 177.5 | -175.6 | 0 | 111.2 | A532 D533 T534 H539 Q540 | A532-K536 WeakPolarHBondContact O-CB 3.41Å; A532-K536 PolarHBondContact O-N 2.94Å; D533-K536 CarbonylContact O-C 3.35Å; D533-K536 WeakPolarHBondContact O-CA 3.35Å; D533-K536 WeakPolarHBondContact O-CB 3.34Å; D533-K536 PolarHBondContact O-N 2.9Å; D533-K536 VanDerWaalsContact O-N 3.14Å; T534-K536 VanDerWaalsContact C-N 3.26Å; T534-K536 PolarHBondContact O-N 2.97Å; K536-H539 PolarHBondContact O-N 3.46Å; K536-Q540 WeakPolarHBondContact O-CB 3.42Å; K536-Q540 WeakPolarHBondContact O-CG 3.3Å; K536-Q540 PolarHBondContact O-N 3.19Å |
| 537 | F | 83.9 | Confident | 78 | Confident | 29 Ų | 29 | 39 Ų | 39 | 13% | 0.127 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 175.2 | -64.3 | -47.4 | 0 | 0 | 0 | 112.2 | Y449 E452 R456 D533 T534 H539 Q540 M541 | Y449-F537 AromaticContact CD1-CD1 3.73Å; Y449-F537 HydrophobicContact CD1-CD1 3.73Å; Y449-F537 HydrophobicContact CD1-CE1 4.23Å; Y449-F537 HydrophobicContact CE1-CD1 4.36Å; Y449-F537 HydrophobicContact CG-CD1 4.46Å; E452-F537 HydrophobicContact CB-CD2 4.25Å; E452-F537 HydrophobicContact CB-CE2 4.01Å; E452-F537 HydrophobicContact CB-CZ 4.15Å; E452-F537 WeakPolarHBondContact OE2-CE1 3.32Å; E452-F537 WeakPolarHBondContact OE2-CZ 3.49Å; R456-F537 HydrophobicContact CG-CE2 4.41Å; D533-F537 HydrophobicContact CB-CE2 4.23Å; D533-F537 WeakPolarHBondContact O-CD2 3.42Å; D533-F537 WeakPolarHBondContact O-CG 3.34Å; D533-F537 PolarHBondContact O-N 3.46Å; T534-F537 PolarHBondContact O-N 3.27Å; F537-H539 PolarHBondContact O-N 2.96Å; F537-Q540 CarbonylContact O-C 3.41Å; F537-Q540 PolarHBondContact O-N 3.43Å; F537-M541 VanDerWaalsContact O-CG 3.3Å; F537-M541 WeakPolarHBondContact O-CG 3.49Å; F537-M541 PolarHBondContact O-N 2.9Å |
| 538 | L | 81.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.7 | -39.3 | 176 | -64.9 | -179 | 0 | 0 | 0 | 112.4 | I490 T505 L508 I509 L512 T534 R535 M541 I542 | I490-L538 HydrophobicContact CD1-CD2 4.2Å; I490-L538 HydrophobicContact CG1-CD2 4.12Å; I490-L538 HydrophobicContact CG2-CD2 4.49Å; T505-L538 HydrophobicContact CG2-CB 3.76Å; T505-L538 HydrophobicContact CG2-CD2 4Å; T505-L538 HydrophobicContact CG2-CG 4.33Å; L508-L538 HydrophobicContact CB-CD1 4.09Å; I509-L538 HydrophobicContact CD1-CB 3.85Å; I509-L538 HydrophobicContact CG1-CB 3.65Å; I509-L538 HydrophobicContact CG1-CD1 3.91Å; I509-L538 HydrophobicContact CG1-CG 4.46Å; L512-L538 HydrophobicContact CD1-CD1 3.68Å; T534-L538 HydrophobicContact CG2-CD1 4.43Å; T534-L538 HydrophobicContact CG2-CG 4.45Å; T534-L538 WeakPolarHBondContact O-CG 3.37Å; T534-L538 PolarHBondContact O-N 2.99Å; R535-L538 PolarHBondContact O-N 3.36Å; L538-M541 HydrophobicContact CD2-SD 3.97Å; L538-M541 PolarHBondContact O-N 3.11Å; L538-I542 PolarHBondContact O-N 3.29Å; L538-I542 VanDerWaalsContact O-N 3.14Å |
| 539 | H | 82.6 | Confident | 78.7 | Confident | 78 Ų | 78 | 49.8 Ų | 49.8 | 36% | 0.361 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 172 | -80.8 | -62.5 | 0 | 0 | 0 | 111.8 | R535 K536 F537 I542 R543 | R535-H539 WeakPolarHBondContact O-CB 3.39Å; R535-H539 PolarHBondContact O-CD2 3.06Å; R535-H539 PolarHBondContact O-N 3.48Å; K536-H539 PolarHBondContact O-N 3.46Å; F537-H539 PolarHBondContact O-N 2.96Å; H539-I542 PolarHBondContact O-N 2.84Å; H539-R543 WeakPolarHBondContact O-CG 3.33Å; H539-R543 PolarHBondContact O-N 3.49Å |
| 540 | Q | 79.9 | Confident | 78.9 | Confident | 22 Ų | 22 | 50 Ų | 50 | 10% | 0.103 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -39.9 | 175 | -74.7 | 177.2 | -12.7 | 0 | 0 | 111.4 | Y449 K536 F537 I542 R543 T544 | Y449-Q540 HydrophobicContact CD2-CB 3.96Å; Y449-Q540 VanDerWaalsContact CE1-OE1 3.24Å; Y449-Q540 HydrophobicContact CE2-CB 3.89Å; Y449-Q540 HydrophobicContact CG-CB 4.45Å; K536-Q540 WeakPolarHBondContact O-CB 3.42Å; K536-Q540 WeakPolarHBondContact O-CG 3.3Å; K536-Q540 PolarHBondContact O-N 3.19Å; F537-Q540 CarbonylContact O-C 3.41Å; F537-Q540 PolarHBondContact O-N 3.43Å; Q540-I542 PolarHBondContact O-N 3.32Å; Q540-R543 WeakPolarHBondContact O-CB 3.45Å; Q540-R543 PolarHBondContact O-N 3.12Å; Q540-T544 WeakPolarHBondContact O-CB 3.24Å; Q540-T544 PolarHBondContact O-N 3.27Å; Q540-T544 PolarHBondContact O-OG1 3.01Å |
| 541 | M | 78.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -44 | 174.4 | -73.1 | 175.4 | 72.6 | 0 | 0 | 112.6 | W446 K450 L493 F537 L538 T544 I545 | W446-M541 HydrophobicContact CD2-CE 4.17Å; W446-M541 VanDerWaalsContact CE2-CE 3.49Å; W446-M541 HydrophobicContact CH2-CE 4.36Å; W446-M541 HydrophobicContact CZ2-CE 3.61Å; K450-M541 HydrophobicContact CB-CE 3.72Å; K450-M541 HydrophobicContact CB-SD 4.18Å; K450-M541 HydrophobicContact CG-CE 4.14Å; L493-M541 HydrophobicContact CD1-CE 3.84Å; F537-M541 VanDerWaalsContact O-CG 3.3Å; F537-M541 WeakPolarHBondContact O-CG 3.49Å; F537-M541 PolarHBondContact O-N 2.9Å; L538-M541 HydrophobicContact CD2-SD 3.97Å; L538-M541 PolarHBondContact O-N 3.11Å; M541-T544 PolarHBondContact O-N 3.4Å; M541-I545 WeakPolarHBondContact O-CG1 3.2Å; M541-I545 PolarHBondContact O-N 3.5Å; M541-I545 VanDerWaalsContact O-N 3.08Å |
| 542 | I | 77.3 | Confident | 79.3 | Confident | 32 Ų | 32 | 50.6 Ų | 50.6 | 16% | 0.164 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 175.7 | -67.1 | 167.9 | 0 | 0 | 0 | 110.7 | T505 V506 I509 L538 H539 Q540 T544 I545 N546 | T505-I542 HydrophobicContact CG2-CD1 3.81Å; T505-I542 HydrophobicContact CG2-CG1 3.73Å; V506-I542 HydrophobicContact CG2-CD1 3.64Å; I509-I542 HydrophobicContact CD1-CD1 3.68Å; L538-I542 PolarHBondContact O-N 3.29Å; L538-I542 VanDerWaalsContact O-N 3.14Å; H539-I542 PolarHBondContact O-N 2.84Å; Q540-I542 PolarHBondContact O-N 3.32Å; I542-T544 PolarHBondContact O-N 3.23Å; I542-I545 PolarHBondContact O-N 2.9Å; I542-N546 PolarHBondContact O-N 3.3Å; I542-N546 VanDerWaalsContact O-N 3.17Å |
| 543 | R | 75.3 | Confident | 79.4 | Confident | 71 Ų | 71 | 53 Ų | 53 | 27% | 0.268 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61 | -44.3 | 178.7 | -72.5 | 170.7 | 169.8 | 170.3 | -2.3 | 111.7 | L363 D364 H539 Q540 N546 | L363-R543 HydrophobicContact CB-CB 4.43Å; L363-R543 HydrophobicContact CD1-CB 4.17Å; D364-R543 IonicContact OD1-CZ 3Å; D364-R543 IonicContact OD1-NE 2.75Å; D364-R543 PolarHBondContact OD1-NE 2.85Å; D364-R543 IonicContact OD1-NH2 3.67Å; D364-R543 PolarHBondContact OD1-NH2 3.42Å; D364-R543 IonicContact OD2-CZ 3.33Å; D364-R543 IonicContact OD2-NH2 3.11Å; D364-R543 PolarHBondContact OD2-NH2 3.33Å; H539-R543 WeakPolarHBondContact O-CG 3.33Å; H539-R543 PolarHBondContact O-N 3.49Å; Q540-R543 WeakPolarHBondContact O-CB 3.45Å; Q540-R543 PolarHBondContact O-N 3.12Å; R543-N546 PolarHBondContact O-N 2.91Å |
| 544 | T | 76 | Confident | 79.3 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -40.3 | 178.3 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | K442 W446 Q540 M541 I542 N546 I547 | K442-T544 HydrophobicContact CB-CG2 4.34Å; K442-T544 WeakPolarHBondContact CE-O 3.35Å; K442-T544 HydrophobicContact CG-CG2 3.66Å; K442-T544 VanDerWaalsContact O-CG2 3.27Å; K442-T544 WeakPolarHBondContact O-CG2 3.41Å; W446-T544 HydrophobicContact CB-CG2 4.21Å; Q540-T544 WeakPolarHBondContact O-CB 3.24Å; Q540-T544 PolarHBondContact O-N 3.27Å; Q540-T544 PolarHBondContact O-OG1 3.01Å; M541-T544 PolarHBondContact O-N 3.4Å; I542-T544 PolarHBondContact O-N 3.23Å; T544-N546 VanDerWaalsContact C-N 3.33Å; T544-N546 PolarHBondContact O-N 2.74Å; T544-I547 WeakPolarHBondContact O-CG1 3.38Å; T544-I547 PolarHBondContact O-N 3Å |
| 545 | I | 75.7 | Confident | 79.4 | Confident | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 176.4 | -73.6 | 167 | 0 | 0 | 0 | 111.8 | K442 W446 A501 M541 I542 I547 | K442-I545 PolarHBondContact NZ-O 3.43Å; W446-I545 HydrophobicContact CZ2-CD1 4.46Å; W446-I545 VanDerWaalsContact NE1-CD1 3.29Å; A501-I545 HydrophobicContact CB-CD1 4.43Å; M541-I545 WeakPolarHBondContact O-CG1 3.2Å; M541-I545 PolarHBondContact O-N 3.5Å; M541-I545 VanDerWaalsContact O-N 3.08Å; I542-I545 PolarHBondContact O-N 2.9Å; I545-I547 PolarHBondContact O-N 3.07Å |
| 546 | N | 73.2 | Confident | 79.2 | Confident | 106 Ų | 106 | 53.1 Ų | 53.1 | 57% | 0.567 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -6.2 | -176.3 | -79.2 | -17.1 | 0 | 0 | 0 | 114.9 | I542 R543 T544 K548 | I542-N546 PolarHBondContact O-N 3.3Å; I542-N546 VanDerWaalsContact O-N 3.17Å; R543-N546 PolarHBondContact O-N 2.91Å; T544-N546 VanDerWaalsContact C-N 3.33Å; T544-N546 PolarHBondContact O-N 2.74Å; N546-K548 PolarHBondContact O-N 3.37Å |
| 547 | I | 75.9 | Confident | 78.9 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | trans | -69.7 | 113.1 | 173.4 | -55.6 | 170 | 0 | 0 | 0 | 108.5 | L363 F435 M438 L439 K442 T544 I545 | L363-I547 HydrophobicContact CD2-CD1 3.75Å; L363-I547 HydrophobicContact CD2-CG1 3.52Å; F435-I547 HydrophobicContact CD1-CG2 4.3Å; M438-I547 HydrophobicContact CB-CD1 4.03Å; L439-I547 HydrophobicContact CD2-CG2 3.63Å; L439-I547 HydrophobicContact CG-CG2 3.81Å; K442-I547 PolarHBondContact NZ-O 3.31Å; T544-I547 WeakPolarHBondContact O-CG1 3.38Å; T544-I547 PolarHBondContact O-N 3Å; I545-I547 PolarHBondContact O-N 3.07Å | ||
| 548 | K | 77.7 | Confident | 78.8 | Confident | 113 Ų | 113 | 49.7 Ų | 49.7 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | trans | -108.4 | 144.6 | 179.5 | -62.4 | -172.6 | 176.8 | -171.2 | 0 | 111.8 | N546 E550 V551 | N546-K548 PolarHBondContact O-N 3.37Å; K548-E550 HydrophobicContact CB-CB 4.25Å; K548-E550 VanDerWaalsContact CD-OE2 3.24Å; K548-E550 WeakPolarHBondContact CD-OE2 3.45Å; K548-E550 IonicContact NZ-OE2 3.08Å; K548-E550 PolarHBondContact NZ-OE2 3.35Å; K548-E550 PolarHBondContact O-N 3.34Å; K548-V551 PolarHBondContact O-N 3.14Å | ||
| 549 | E | 79.1 | Confident | 78.6 | Confident | 142 Ų | 142 | 49.7 Ų | 49.7 | 66% | 0.664 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63.9 | -29 | 170.8 | -66.3 | -177.4 | 175 | 0 | 0 | 112.4 | L439 V551 L552 I553 | L439-E549 HydrophobicContact CD2-CG 4.2Å; E549-V551 PolarHBondContact O-N 3.24Å; E549-L552 WeakPolarHBondContact O-CB 3.45Å; E549-L552 PolarHBondContact O-N 2.76Å; E549-I553 PolarHBondContact O-N 3.02Å |
| 550 | E | 79.2 | Confident | 78.5 | Confident | 114 Ų | 114 | 47.7 Ų | 47.7 | 53% | 0.533 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -51.1 | -31.9 | 174.5 | -66 | 173.7 | 175.6 | 0 | 0 | 113.1 | K548 I553 T554 | K548-E550 HydrophobicContact CB-CB 4.25Å; K548-E550 VanDerWaalsContact CD-OE2 3.24Å; K548-E550 WeakPolarHBondContact CD-OE2 3.45Å; K548-E550 IonicContact NZ-OE2 3.08Å; K548-E550 PolarHBondContact NZ-OE2 3.35Å; K548-E550 PolarHBondContact O-N 3.34Å; E550-I553 PolarHBondContact O-N 3.19Å; E550-T554 WeakPolarHBondContact O-CB 3.4Å; E550-T554 PolarHBondContact O-N 3.49Å; E550-T554 PolarHBondContact O-OG1 3.19Å |
| 551 | V | 80.5 | Confident | 78.5 | Confident | 20 Ų | 20 | 46.7 Ų | 46.7 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.1 | -41 | 178.3 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | I366 L370 F435 K548 E549 T554 M555 | I366-V551 HydrophobicContact CG2-CG1 4.21Å; I366-V551 HydrophobicContact CG2-CG2 4.3Å; L370-V551 HydrophobicContact CD1-CG1 4.17Å; L370-V551 HydrophobicContact CD2-CG1 4.2Å; F435-V551 HydrophobicContact CE1-CG1 4.41Å; F435-V551 HydrophobicContact CE2-CG1 4.37Å; F435-V551 HydrophobicContact CZ-CG1 4.19Å; K548-V551 PolarHBondContact O-N 3.14Å; E549-V551 PolarHBondContact O-N 3.24Å; V551-T554 PolarHBondContact O-N 2.95Å; V551-M555 HydrophobicContact CG1-SD 4.34Å; V551-M555 VanDerWaalsContact O-CG 3.29Å; V551-M555 WeakPolarHBondContact O-CG 3.4Å; V551-M555 PolarHBondContact O-N 3Å |
| 552 | L | 80.8 | Confident | 78.5 | Confident | 38 Ų | 38 | 47.2 Ų | 47.2 | 20% | 0.199 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66 | -41 | 176.2 | -74.4 | -177.6 | 0 | 0 | 0 | 111.5 | F435 K436 L439 E549 T554 M555 Q556 | F435-L552 HydrophobicContact CB-CD2 3.77Å; F435-L552 HydrophobicContact CB-CG 4.49Å; K436-L552 HydrophobicContact CG-CD1 4.23Å; L439-L552 HydrophobicContact CD1-CD1 3.32Å; L439-L552 HydrophobicContact CD1-CG 4Å; E549-L552 WeakPolarHBondContact O-CB 3.45Å; E549-L552 PolarHBondContact O-N 2.76Å; L552-T554 VanDerWaalsContact C-N 3.33Å; L552-T554 PolarHBondContact O-N 3.21Å; L552-M555 PolarHBondContact O-N 3.32Å; L552-Q556 PolarHBondContact O-N 3.5Å |
| 553 | I | 80.3 | Confident | 78.7 | Confident | 94 Ų | 94 | 45.8 Ų | 45.8 | 48% | 0.482 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -46 | 175.6 | -59.7 | 172.6 | 0 | 0 | 0 | 109.7 | E549 E550 M555 Q556 I557 | E549-I553 PolarHBondContact O-N 3.02Å; E550-I553 PolarHBondContact O-N 3.19Å; I553-M555 VanDerWaalsContact C-N 3.33Å; I553-M555 PolarHBondContact O-N 2.87Å; I553-Q556 WeakPolarHBondContact O-CB 3.47Å; I553-Q556 PolarHBondContact O-N 3.43Å; I553-Q556 VanDerWaalsContact O-N 3.11Å; I553-I557 HydrophobicContact CG2-CD1 4Å; I553-I557 WeakPolarHBondContact O-CG1 3.4Å; I553-I557 PolarHBondContact O-N 3.37Å |
| 554 | T | 80.9 | Confident | 79 | Confident | 26 Ų | 26 | 42.4 Ų | 42.4 | 16% | 0.16 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 176.2 | -56 | 0 | 0 | 0 | 0 | 111.6 | A247 E550 V551 L552 Q556 I557 V558 | A247-T554 HydrophobicContact CB-CG2 4.25Å; E550-T554 WeakPolarHBondContact O-CB 3.4Å; E550-T554 PolarHBondContact O-N 3.49Å; E550-T554 PolarHBondContact O-OG1 3.19Å; V551-T554 PolarHBondContact O-N 2.95Å; L552-T554 VanDerWaalsContact C-N 3.33Å; L552-T554 PolarHBondContact O-N 3.21Å; T554-Q556 VanDerWaalsContact C-N 3.3Å; T554-Q556 PolarHBondContact O-N 2.93Å; T554-I557 PolarHBondContact O-N 3.42Å; T554-V558 HydrophobicContact CG2-CG2 4.35Å; T554-V558 WeakPolarHBondContact O-CB 3.44Å; T554-V558 VanDerWaalsContact O-CG2 3.24Å; T554-V558 WeakPolarHBondContact O-CG2 3.39Å; T554-V558 PolarHBondContact O-N 3.02Å |
| 555 | M | 82.1 | Confident | 79.3 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.7 | -27.6 | 176.6 | -70.1 | 177.5 | 77.1 | 0 | 0 | 113.3 | L370 L373 L431 K432 F435 V551 L552 I553 G559 | L370-M555 HydrophobicContact CD2-CG 3.64Å; L370-M555 HydrophobicContact CD2-SD 4.41Å; L373-M555 HydrophobicContact CD1-CE 3.82Å; L373-M555 HydrophobicContact CD1-CG 4.39Å; L431-M555 HydrophobicContact CB-CE 3.78Å; L431-M555 HydrophobicContact CD2-CE 3.61Å; L431-M555 HydrophobicContact CD2-SD 4.35Å; L431-M555 HydrophobicContact CG-CE 3.63Å; L431-M555 HydrophobicContact CG-SD 4.37Å; K432-M555 HydrophobicContact CG-CE 3.61Å; K432-M555 HydrophobicContact CG-SD 4.33Å; K432-M555 PolarHBondContact NZ-O 3.4Å; F435-M555 HydrophobicContact CD2-SD 4.19Å; V551-M555 HydrophobicContact CG1-SD 4.34Å; V551-M555 VanDerWaalsContact O-CG 3.29Å; V551-M555 WeakPolarHBondContact O-CG 3.4Å; V551-M555 PolarHBondContact O-N 3Å; L552-M555 PolarHBondContact O-N 3.32Å; I553-M555 VanDerWaalsContact C-N 3.33Å; I553-M555 PolarHBondContact O-N 2.87Å; M555-G559 PolarHBondContact O-N 3.29Å; M555-G559 VanDerWaalsContact O-N 3.13Å |
| 556 | Q | 79.4 | Confident | 79.6 | Confident | 94 Ų | 94 | 46.1 Ų | 46.1 | 44% | 0.439 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -73.1 | -45.5 | 174.2 | -170.2 | 173.8 | 3.9 | 0 | 0 | 111 | L552 I553 T554 V558 G559 D601 | L552-Q556 PolarHBondContact O-N 3.5Å; I553-Q556 WeakPolarHBondContact O-CB 3.47Å; I553-Q556 PolarHBondContact O-N 3.43Å; I553-Q556 VanDerWaalsContact O-N 3.11Å; T554-Q556 VanDerWaalsContact C-N 3.3Å; T554-Q556 PolarHBondContact O-N 2.93Å; Q556-V558 PolarHBondContact O-N 2.98Å; Q556-G559 PolarHBondContact O-N 3.42Å; Q556-D601 PolarHBondContact NE2-OD2 2.87Å |
| 557 | I | 78.1 | Confident | 80 | Confident | 55 Ų | 55 | 41.3 Ų | 41.3 | 28% | 0.282 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 176.9 | -64.6 | 167.2 | 0 | 0 | 0 | 110.7 | Q244 A247 Y248 I553 T554 G559 | Q244-I557 HydrophobicContact CG-CG2 4.35Å; A247-I557 HydrophobicContact CB-CB 4.49Å; A247-I557 HydrophobicContact CB-CD1 4.27Å; A247-I557 HydrophobicContact CB-CG2 4.1Å; Y248-I557 HydrophobicContact CE2-CG2 4.22Å; I553-I557 HydrophobicContact CG2-CD1 4Å; I553-I557 WeakPolarHBondContact O-CG1 3.4Å; I553-I557 PolarHBondContact O-N 3.37Å; T554-I557 PolarHBondContact O-N 3.42Å; I557-G559 VanDerWaalsContact C-N 3.31Å; I557-G559 PolarHBondContact O-N 3.23Å |
| 558 | V | 81.7 | Confident | 80.3 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.3 | -27.6 | -178.2 | 173.6 | 0 | 0 | 0 | 0 | 112.5 | Y248 R374 N377 T554 Q556 D560 | Y248-V558 HydrophobicContact CE1-CG2 4.17Å; Y248-V558 HydrophobicContact CE2-CG2 4.3Å; R374-V558 HydrophobicContact CB-CG1 4.42Å; R374-V558 HydrophobicContact CG-CG1 3.96Å; R374-V558 HydrophobicContact CG-CG2 3.83Å; N377-V558 HydrophobicContact CB-CG1 4.11Å; N377-V558 WeakPolarHBondContact CB-O 3.5Å; N377-V558 PolarHBondContact ND2-O 3.1Å; T554-V558 HydrophobicContact CG2-CG2 4.35Å; T554-V558 WeakPolarHBondContact O-CB 3.44Å; T554-V558 VanDerWaalsContact O-CG2 3.24Å; T554-V558 WeakPolarHBondContact O-CG2 3.39Å; T554-V558 PolarHBondContact O-N 3.02Å; Q556-V558 PolarHBondContact O-N 2.98Å; V558-D560 VanDerWaalsContact C-N 3.31Å; V558-D560 PolarHBondContact O-N 2.89Å |
| 559 | G | 76.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -1.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E428 M555 Q556 I557 L561 K595 | E428-G559 WeakPolarHBondContact OE1-CA 3.41Å; M555-G559 PolarHBondContact O-N 3.29Å; M555-G559 VanDerWaalsContact O-N 3.13Å; Q556-G559 PolarHBondContact O-N 3.42Å; I557-G559 VanDerWaalsContact C-N 3.31Å; I557-G559 PolarHBondContact O-N 3.23Å; G559-L561 PolarHBondContact O-N 3.06Å; G559-K595 WeakPolarHBondContact O-CE 3.41Å |
| 560 | D | 79.6 | Confident | 80.6 | Confident | 36 Ų | 36 | 36 Ų | 36 | 19% | 0.193 | 19% | 0.187 | C | C | . | . | trans | -61.1 | 126.1 | -176.5 | -178.8 | 26.7 | 0 | 0 | 0 | 112.1 | V558 S562 Y563 | V558-D560 VanDerWaalsContact C-N 3.31Å; V558-D560 PolarHBondContact O-N 2.89Å; D560-S562 VanDerWaalsContact CG-OG 3.32Å; D560-S562 WeakPolarHBondContact OD1-CB 3.46Å; D560-S562 PolarHBondContact OD1-N 2.98Å; D560-S562 PolarHBondContact OD1-OG 3.18Å; D560-S562 VanDerWaalsContact OD1-OG 3.14Å; D560-S562 PolarHBondContact OD2-OG 2.76Å; D560-Y563 WeakPolarHBondContact O-CE1 3.37Å | ||
| 561 | L | 81.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -118.6 | 15.2 | -179.6 | -164.1 | 59.9 | 0 | 0 | 0 | 112.1 | L421 G559 Y563 A564 K595 L596 | L421-L561 HydrophobicContact CD1-CD1 4.45Å; L421-L561 HydrophobicContact CD1-CD2 4.4Å; G559-L561 PolarHBondContact O-N 3.06Å; L561-Y563 HydrophobicContact CD1-CE1 4.05Å; L561-Y563 HydrophobicContact CD1-CE2 4.16Å; L561-Y563 WeakPolarHBondContact CD1-OH 3.36Å; L561-Y563 PolarHBondContact O-N 3.49Å; L561-Y563 VanDerWaalsContact O-N 3.1Å; L561-A564 HydrophobicContact CD1-CB 3.72Å; L561-A564 HydrophobicContact CG-CB 3.89Å; L561-A564 PolarHBondContact O-N 2.82Å; L561-K595 HydrophobicContact CB-CG 4.18Å; L561-K595 HydrophobicContact CD2-CD 4.13Å; L561-K595 HydrophobicContact CD2-CG 3.98Å; L561-L596 HydrophobicContact CD2-CD2 3.5Å; L561-L596 HydrophobicContact CD2-CG 3.92Å; L561-L596 HydrophobicContact CG-CD2 3.95Å | ||
| 562 | S | 78.6 | Confident | 80.9 | Confident | 11 Ų | 11 | 30.1 Ų | 30.1 | 8% | 0.077 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -52.1 | -32.8 | -179.3 | 61 | 0 | 0 | 0 | 0 | 114.7 | G302 D560 A564 | G302-S562 PolarHBondContact N-O 3.24Å; D560-S562 VanDerWaalsContact CG-OG 3.32Å; D560-S562 WeakPolarHBondContact OD1-CB 3.46Å; D560-S562 PolarHBondContact OD1-N 2.98Å; D560-S562 PolarHBondContact OD1-OG 3.18Å; D560-S562 VanDerWaalsContact OD1-OG 3.14Å; D560-S562 PolarHBondContact OD2-OG 2.76Å; S562-A564 VanDerWaalsContact C-N 3.29Å; S562-A564 PolarHBondContact O-N 2.98Å |
| 563 | Y | 80.9 | Confident | 81.1 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -68.2 | -24.6 | 178.4 | 64.6 | -92 | 0 | 0 | 0 | 113.8 | S298 G302 R381 M384 L385 D560 L561 | S298-Y563 WeakPolarHBondContact OG-CB 3.45Å; G302-Y563 WeakPolarHBondContact CA-O 3.07Å; R381-Y563 VanDerWaalsContact CA-CZ 3.5Å; R381-Y563 VanDerWaalsContact CA-OH 3.31Å; R381-Y563 WeakPolarHBondContact CA-OH 3.34Å; R381-Y563 HydrophobicContact CB-CE1 3.89Å; R381-Y563 HydrophobicContact CB-CE2 4.02Å; R381-Y563 HydrophobicContact CG-CD1 3.93Å; R381-Y563 HydrophobicContact CG-CD2 4.1Å; R381-Y563 HydrophobicContact CG-CE1 3.71Å; R381-Y563 HydrophobicContact CG-CE2 3.91Å; R381-Y563 HydrophobicContact CG-CG 4.11Å; R381-Y563 PolarHBondContact N-OH 2.95Å; M384-Y563 HydrophobicContact CB-CE2 4.21Å; M384-Y563 HydrophobicContact SD-CE2 4.18Å; L385-Y563 HydrophobicContact CD2-CD2 4.33Å; L385-Y563 HydrophobicContact CG-CD2 4.22Å; D560-Y563 WeakPolarHBondContact O-CE1 3.37Å; L561-Y563 HydrophobicContact CD1-CE1 4.05Å; L561-Y563 HydrophobicContact CD1-CE2 4.16Å; L561-Y563 WeakPolarHBondContact CD1-OH 3.36Å; L561-Y563 PolarHBondContact O-N 3.49Å; L561-Y563 VanDerWaalsContact O-N 3.1Å |
| 564 | A | 81.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -92.3 | 1.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | M384 L561 S562 Q566 I567 I568 | M384-A564 HydrophobicContact SD-CB 3.99Å; L561-A564 HydrophobicContact CD1-CB 3.72Å; L561-A564 HydrophobicContact CG-CB 3.89Å; L561-A564 PolarHBondContact O-N 2.82Å; S562-A564 VanDerWaalsContact C-N 3.29Å; S562-A564 PolarHBondContact O-N 2.98Å; A564-Q566 VanDerWaalsContact C-N 3.31Å; A564-Q566 PolarHBondContact O-N 2.77Å; A564-I567 PolarHBondContact O-N 2.94Å; A564-I567 VanDerWaalsContact O-N 3.1Å; A564-I568 WeakPolarHBondContact O-CB 3.34Å; A564-I568 PolarHBondContact O-N 3.38Å |
| 565 | W | 82.6 | Confident | 81.4 | Confident | 42 Ų | 42 | 28 Ų | 28 | 16% | 0.159 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -42.5 | -172.6 | -169.6 | -91.2 | 0 | 0 | 0 | 113.7 | M301 A599 L600 Y622 E625 L626 | M301-W565 HydrophobicContact CB-CG 4.42Å; M301-W565 WeakPolarHBondContact O-CB 2.98Å; W565-A599 HydrophobicContact CE3-CB 4.32Å; W565-A599 HydrophobicContact CZ3-CB 4.5Å; W565-L600 HydrophobicContact CH2-CD2 3.58Å; W565-L600 HydrophobicContact CZ3-CD2 3.7Å; W565-Y622 HydrophobicContact CZ2-CD1 4.44Å; W565-E625 HydrophobicContact CZ2-CB 4.11Å; W565-L626 HydrophobicContact CH2-CB 3.98Å; W565-L626 HydrophobicContact CH2-CD1 4.43Å; W565-L626 HydrophobicContact CZ3-CD1 4.47Å |
| 566 | Q | 80.4 | Confident | 81.6 | Confident | 60 Ų | 60 | 30 Ų | 30 | 28% | 0.28 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -28.7 | 174.8 | -60 | -175 | -1.9 | 0 | 0 | 113.2 | G302 A564 I568 | G302-Q566 WeakPolarHBondContact O-CB 3.41Å; A564-Q566 VanDerWaalsContact C-N 3.31Å; A564-Q566 PolarHBondContact O-N 2.77Å; Q566-I568 VanDerWaalsContact C-N 3.3Å; Q566-I568 PolarHBondContact O-N 2.75Å |
| 567 | I | 81.6 | Confident | 81.8 | Confident | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -70 | -32.3 | -176.6 | -57.8 | 172.5 | 0 | 0 | 0 | 110.4 | T304 L385 A388 A564 D569 S570 F571 | T304-I567 HydrophobicContact CG2-CD1 3.63Å; T304-I567 HydrophobicContact CG2-CG1 3.8Å; L385-I567 HydrophobicContact CD2-CD1 3.8Å; A388-I567 HydrophobicContact CB-CD1 4.16Å; A388-I567 HydrophobicContact CB-CG1 4.21Å; A388-I567 HydrophobicContact CB-CG2 4.21Å; A564-I567 PolarHBondContact O-N 2.94Å; A564-I567 VanDerWaalsContact O-N 3.1Å; I567-D569 PolarHBondContact O-N 2.99Å; I567-D569 VanDerWaalsContact O-N 3.12Å; I567-S570 PolarHBondContact O-N 2.88Å; I567-S570 PolarHBondContact O-OG 3.28Å; I567-F571 HydrophobicContact CG2-CE2 4.3Å |
| 568 | I | 82.3 | Confident | 81.9 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -62.9 | -24.9 | -174.9 | -155.4 | 157.7 | 0 | 0 | 0 | 113.1 | A564 Q566 S570 F571 T572 M575 L596 Y629 | A564-I568 WeakPolarHBondContact O-CB 3.34Å; A564-I568 PolarHBondContact O-N 3.38Å; Q566-I568 VanDerWaalsContact C-N 3.3Å; Q566-I568 PolarHBondContact O-N 2.75Å; I568-S570 PolarHBondContact O-N 2.95Å; I568-F571 WeakPolarHBondContact O-CB 3.42Å; I568-F571 PolarHBondContact O-N 3.33Å; I568-T572 PolarHBondContact O-N 3.43Å; I568-M575 HydrophobicContact CD1-CE 4.04Å; I568-M575 HydrophobicContact CG1-CE 3.78Å; I568-L596 HydrophobicContact CD1-CD1 3.59Å; I568-L596 HydrophobicContact CD1-CD2 3.77Å; I568-L596 HydrophobicContact CD1-CG 4.07Å; I568-Y629 HydrophobicContact CG2-CE1 4.09Å; I568-Y629 HydrophobicContact CG2-CE2 4.15Å; I568-Y629 PolarHBondContact O-OH 3.14Å |
| 569 | D | 82.2 | Confident | 82 | Confident | 74 Ų | 74 | 28.9 Ų | 28.9 | 40% | 0.396 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -56.6 | -32.9 | 173.7 | -98.1 | -34.9 | 0 | 0 | 0 | 112.2 | I567 F571 T572 Y629 K632 | I567-D569 PolarHBondContact O-N 2.99Å; I567-D569 VanDerWaalsContact O-N 3.12Å; D569-F571 PolarHBondContact O-N 3.28Å; D569-T572 VanDerWaalsContact O-CB 3.24Å; D569-T572 WeakPolarHBondContact O-CB 3.01Å; D569-T572 PolarHBondContact O-N 3.47Å; D569-T572 VanDerWaalsContact O-N 3.1Å; D569-T572 PolarHBondContact O-OG1 3.48Å; D569-Y629 WeakPolarHBondContact OD1-CE2 3.19Å; D569-K632 IonicContact OD1-NZ 2.62Å; D569-K632 PolarHBondContact OD1-NZ 2.89Å |
| 570 | S | 80.9 | Confident | 82.3 | Confident | 72 Ų | 72 | 35 Ų | 35 | 50% | 0.503 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -66.7 | -24.3 | 176.9 | 72.9 | 0 | 0 | 0 | 0 | 113 | I567 I568 | I567-S570 PolarHBondContact O-N 2.88Å; I567-S570 PolarHBondContact O-OG 3.28Å; I568-S570 PolarHBondContact O-N 2.95Å |
| 571 | F | 82.6 | Confident | 82.4 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -87 | -6.1 | 176.6 | -65.4 | -83.7 | 0 | 0 | 0 | 112.9 | M384 P414 L417 F418 I567 I568 D569 S573 I574 M575 | M384-F571 HydrophobicContact CE-CD2 4.22Å; M384-F571 HydrophobicContact CE-CE2 3.81Å; M384-F571 HydrophobicContact CE-CZ 4.22Å; M384-F571 HydrophobicContact CG-CE2 4.43Å; P414-F571 HydrophobicContact CB-CE1 4.41Å; L417-F571 HydrophobicContact CD2-CE1 4.42Å; L417-F571 HydrophobicContact CD2-CZ 3.96Å; F418-F571 HydrophobicContact CB-CD1 4.18Å; I567-F571 HydrophobicContact CG2-CE2 4.3Å; I568-F571 WeakPolarHBondContact O-CB 3.42Å; I568-F571 PolarHBondContact O-N 3.33Å; D569-F571 PolarHBondContact O-N 3.28Å; F571-S573 VanDerWaalsContact C-N 3.32Å; F571-S573 PolarHBondContact O-N 2.86Å; F571-I574 HydrophobicContact CD1-CD1 4.09Å; F571-I574 PolarHBondContact O-N 2.87Å; F571-M575 HydrophobicContact CB-CE 4.28Å; F571-M575 WeakPolarHBondContact O-CG 3.48Å; F571-M575 PolarHBondContact O-N 3.26Å |
| 572 | T | 84.6 | Confident | 82.4 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.7 | -45 | -177.5 | -64.3 | 0 | 0 | 0 | 0 | 112 | I568 D569 I574 M575 Q576 Y629 V633 | I568-T572 PolarHBondContact O-N 3.43Å; D569-T572 VanDerWaalsContact O-CB 3.24Å; D569-T572 WeakPolarHBondContact O-CB 3.01Å; D569-T572 PolarHBondContact O-N 3.47Å; D569-T572 VanDerWaalsContact O-N 3.1Å; D569-T572 PolarHBondContact O-OG1 3.48Å; T572-I574 VanDerWaalsContact C-N 3.3Å; T572-I574 PolarHBondContact O-N 2.92Å; T572-M575 WeakPolarHBondContact O-CB 3.49Å; T572-M575 PolarHBondContact O-N 2.94Å; T572-Q576 HydrophobicContact CG2-CG 4.28Å; T572-Q576 WeakPolarHBondContact O-CB 3.06Å; T572-Q576 VanDerWaalsContact O-CG 3.3Å; T572-Q576 WeakPolarHBondContact O-CG 3.16Å; T572-Q576 PolarHBondContact O-N 2.96Å; T572-Y629 WeakPolarHBondContact OG1-CE2 3.4Å; T572-Y629 PolarHBondContact OG1-OH 3.4Å; T572-V633 HydrophobicContact CG2-CG2 4.31Å |
| 573 | S | 85 | Confident | 82.4 | Confident | 85 Ų | 85 | 42.6 Ų | 42.6 | 59% | 0.594 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.5 | -38.3 | 179.5 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | F571 Q576 E577 | F571-S573 VanDerWaalsContact C-N 3.32Å; F571-S573 PolarHBondContact O-N 2.86Å; S573-Q576 PolarHBondContact O-N 3.25Å; S573-E577 WeakPolarHBondContact O-CB 3.1Å; S573-E577 PolarHBondContact O-N 3.16Å |
| 574 | I | 84.1 | Confident | 82.2 | Confident | 27 Ų | 27 | 46 Ų | 46 | 14% | 0.138 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.9 | -40.2 | 178.5 | -60.5 | 168.6 | 0 | 0 | 0 | 110.4 | P414 R415 F418 F571 T572 Q576 S578 | P414-I574 HydrophobicContact CB-CD1 3.49Å; P414-I574 VanDerWaalsContact CB-CD1 3.49Å; R415-I574 HydrophobicContact CG-CG2 4.13Å; F418-I574 HydrophobicContact CB-CG2 4.45Å; F418-I574 HydrophobicContact CD1-CG2 3.79Å; F418-I574 HydrophobicContact CE1-CG2 4.39Å; F418-I574 HydrophobicContact CG-CG2 4.23Å; F571-I574 HydrophobicContact CD1-CD1 4.09Å; F571-I574 PolarHBondContact O-N 2.87Å; T572-I574 VanDerWaalsContact C-N 3.3Å; T572-I574 PolarHBondContact O-N 2.92Å; I574-Q576 VanDerWaalsContact C-N 3.35Å; I574-S578 WeakPolarHBondContact O-CB 3.09Å; I574-S578 PolarHBondContact O-N 3.45Å; I574-S578 PolarHBondContact O-OG 2.95Å |
| 575 | M | 83.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58 | -49.5 | 172.6 | -69.4 | 174.1 | 177.7 | 0 | 0 | 110.4 | F418 I568 F571 T572 S578 I579 L589 Y629 V633 | F418-M575 HydrophobicContact CD2-CE 4.23Å; F418-M575 HydrophobicContact CD2-CG 4.31Å; F418-M575 HydrophobicContact CE1-CG 4.26Å; F418-M575 HydrophobicContact CE2-CE 3.53Å; F418-M575 HydrophobicContact CE2-CG 3.38Å; F418-M575 HydrophobicContact CE2-SD 4.29Å; F418-M575 HydrophobicContact CZ-CB 4.16Å; F418-M575 HydrophobicContact CZ-CE 4.39Å; F418-M575 HydrophobicContact CZ-CG 3.35Å; I568-M575 HydrophobicContact CD1-CE 4.04Å; I568-M575 HydrophobicContact CG1-CE 3.78Å; F571-M575 HydrophobicContact CB-CE 4.28Å; F571-M575 WeakPolarHBondContact O-CG 3.48Å; F571-M575 PolarHBondContact O-N 3.26Å; T572-M575 WeakPolarHBondContact O-CB 3.49Å; T572-M575 PolarHBondContact O-N 2.94Å; M575-S578 PolarHBondContact O-N 2.86Å; M575-I579 WeakPolarHBondContact O-CD1 2.99Å; M575-I579 VanDerWaalsContact O-CG1 3.24Å; M575-I579 WeakPolarHBondContact O-CG1 3.42Å; M575-I579 PolarHBondContact O-N 3.23Å; M575-L589 HydrophobicContact CG-CD2 4.09Å; M575-L589 HydrophobicContact SD-CD2 4.23Å; M575-Y629 PolarHBondContact SD-OH 3.33Å; M575-Y629 VanDerWaalsContact SD-OH 3.35Å; M575-V633 HydrophobicContact CB-CG1 3.93Å; M575-V633 HydrophobicContact SD-CG1 4.19Å; M575-V633 HydrophobicContact SD-CG2 4Å |
| 576 | Q | 85.3 | Confident | 81.9 | Confident | 45 Ų | 45 | 45.9 Ų | 45.9 | 21% | 0.21 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | -178.5 | -73.8 | 179.5 | -18.3 | 0 | 0 | 112.5 | T572 S573 I574 S578 I579 R580 K632 I636 | T572-Q576 HydrophobicContact CG2-CG 4.28Å; T572-Q576 WeakPolarHBondContact O-CB 3.06Å; T572-Q576 VanDerWaalsContact O-CG 3.3Å; T572-Q576 WeakPolarHBondContact O-CG 3.16Å; T572-Q576 PolarHBondContact O-N 2.96Å; S573-Q576 PolarHBondContact O-N 3.25Å; I574-Q576 VanDerWaalsContact C-N 3.35Å; Q576-S578 VanDerWaalsContact C-N 3.34Å; Q576-S578 PolarHBondContact O-N 3.41Å; Q576-I579 PolarHBondContact O-N 2.99Å; Q576-R580 PolarHBondContact O-N 2.88Å; Q576-K632 PolarHBondContact NE2-O 3.5Å; Q576-I636 HydrophobicContact CB-CB 3.99Å; Q576-I636 HydrophobicContact CB-CD1 4.41Å; Q576-I636 HydrophobicContact CB-CG1 3.93Å; Q576-I636 HydrophobicContact CB-CG2 4.16Å; Q576-I636 HydrophobicContact CG-CB 3.88Å; Q576-I636 HydrophobicContact CG-CG1 4.37Å; Q576-I636 HydrophobicContact CG-CG2 4.07Å |
| 577 | E | 84.6 | Confident | 81.8 | Confident | 95 Ų | 95 | 45.5 Ų | 45.5 | 44% | 0.444 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 175 | -167.6 | -175.5 | 176.8 | 0 | 0 | 111.5 | R415 S573 I579 R580 V581 | R415-E577 IonicContact CZ-OE1 2.69Å; R415-E577 IonicContact CZ-OE2 3.76Å; R415-E577 IonicContact NH2-OE1 3.58Å; R415-E577 PolarHBondContact NH2-OE1 3.26Å; R415-E577 IonicContact NH2-OE2 2.69Å; R415-E577 PolarHBondContact NH2-OE2 3.42Å; S573-E577 WeakPolarHBondContact O-CB 3.1Å; S573-E577 PolarHBondContact O-N 3.16Å; E577-I579 PolarHBondContact O-N 3.21Å; E577-R580 WeakPolarHBondContact O-CB 3.35Å; E577-R580 PolarHBondContact O-N 3.15Å; E577-V581 WeakPolarHBondContact O-CG2 3.03Å; E577-V581 PolarHBondContact O-N 3.16Å |
| 578 | S | 80.7 | Confident | 81.7 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 27% | 0.266 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 179.2 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | I574 M575 Q576 V581 N582 | I574-S578 WeakPolarHBondContact O-CB 3.09Å; I574-S578 PolarHBondContact O-N 3.45Å; I574-S578 PolarHBondContact O-OG 2.95Å; M575-S578 PolarHBondContact O-N 2.86Å; Q576-S578 VanDerWaalsContact C-N 3.34Å; Q576-S578 PolarHBondContact O-N 3.41Å; S578-V581 PolarHBondContact O-N 3.35Å; S578-N582 PolarHBondContact O-N 3.26Å |
| 579 | I | 82.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 175.5 | -66.9 | 163.6 | 0 | 0 | 0 | 110.9 | M575 Q576 E577 V581 N582 V586 L589 V633 L634 I636 I637 | M575-I579 WeakPolarHBondContact O-CD1 2.99Å; M575-I579 VanDerWaalsContact O-CG1 3.24Å; M575-I579 WeakPolarHBondContact O-CG1 3.42Å; M575-I579 PolarHBondContact O-N 3.23Å; Q576-I579 PolarHBondContact O-N 2.99Å; E577-I579 PolarHBondContact O-N 3.21Å; I579-V581 PolarHBondContact O-N 3.45Å; I579-N582 CarbonylContact O-C 3.52Å; I579-N582 PolarHBondContact O-N 3.2Å; I579-V586 HydrophobicContact CG2-CG2 4.39Å; I579-L589 HydrophobicContact CD1-CD1 3.5Å; I579-L589 HydrophobicContact CG1-CD1 3.56Å; I579-V633 HydrophobicContact CD1-CG1 3.87Å; I579-L634 HydrophobicContact CD1-CD2 4.47Å; I579-I636 HydrophobicContact CB-CG2 4.11Å; I579-I636 HydrophobicContact CD1-CG2 4.12Å; I579-I636 HydrophobicContact CG2-CG2 3.91Å; I579-I637 HydrophobicContact CG2-CD1 3.62Å; I579-I637 HydrophobicContact CG2-CG1 3.41Å; I579-I637 VanDerWaalsContact CG2-CG1 3.41Å |
| 580 | R | 82.2 | Confident | 81.8 | Confident | 128 Ų | 128 | 46.6 Ų | 46.6 | 48% | 0.483 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.1 | -36.2 | 178.8 | -171.5 | 179.4 | -125.8 | 177.9 | 1.8 | 112.2 | Q576 E577 S640 | Q576-R580 PolarHBondContact O-N 2.88Å; E577-R580 WeakPolarHBondContact O-CB 3.35Å; E577-R580 PolarHBondContact O-N 3.15Å; R580-S640 PolarHBondContact NE-OG 3.48Å |
| 581 | V | 83.1 | Confident | 82 | Confident | 102 Ų | 102 | 43.3 Ų | 43.3 | 62% | 0.618 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -77.8 | -46.8 | 177.6 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | E577 S578 I579 | E577-V581 WeakPolarHBondContact O-CG2 3.03Å; E577-V581 PolarHBondContact O-N 3.16Å; S578-V581 PolarHBondContact O-N 3.35Å; I579-V581 PolarHBondContact O-N 3.45Å |
| 582 | N | 81.1 | Confident | 82.1 | Confident | 90 Ų | 90 | 43.1 Ų | 43.1 | 48% | 0.481 | 23% | 0.232 | S | C | . | . | trans | -135.9 | 101.8 | -176.6 | -74.5 | -34.6 | 0 | 0 | 0 | 111.6 | S578 I579 S584 M585 | S578-N582 PolarHBondContact O-N 3.26Å; I579-N582 CarbonylContact O-C 3.52Å; I579-N582 PolarHBondContact O-N 3.2Å; N582-S584 VanDerWaalsContact C-N 3.25Å; N582-S584 PolarHBondContact O-N 3.32Å; N582-M585 HydrophobicContact CB-CG 3.96Å; N582-M585 WeakPolarHBondContact O-CB 3.47Å; N582-M585 WeakPolarHBondContact O-CG 3.49Å; N582-M585 PolarHBondContact O-N 3.21Å | ||
| 583 | P | 78 | Confident | 82.1 | Confident | 14 Ų | 14 | 43 Ų | 43 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -63.4 | -23.7 | -179.9 | -29.6 | 40.3 | 0 | 0 | 0 | 115 | M585 V586 I689 F690 | P583-M585 PolarHBondContact O-N 3.11Å; P583-M585 VanDerWaalsContact O-N 3.16Å; P583-V586 WeakPolarHBondContact O-CB 3.37Å; P583-V586 WeakPolarHBondContact O-CG2 3.47Å; P583-V586 PolarHBondContact O-N 3.21Å; P583-I689 HydrophobicContact CB-CG2 4.5Å; P583-I689 HydrophobicContact CG-CG2 4.06Å; P583-F690 HydrophobicContact CB-CD1 4.26Å; P583-F690 HydrophobicContact CG-CD1 3.48Å; P583-F690 VanDerWaalsContact CG-CD1 3.48Å; P583-F690 HydrophobicContact CG-CE1 3.62Å; P583-F690 HydrophobicContact CG-CG 4.36Å |
| 584 | S | 77 | Confident | 82.1 | Confident | 74 Ų | 74 | 40.9 Ų | 40.9 | 52% | 0.517 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -65.5 | -15.2 | 176.4 | 59.2 | 0 | 0 | 0 | 0 | 114.1 | N582 V586 T587 | N582-S584 VanDerWaalsContact C-N 3.25Å; N582-S584 PolarHBondContact O-N 3.32Å; S584-V586 PolarHBondContact O-N 2.97Å; S584-T587 PolarHBondContact O-N 2.85Å |
| 585 | M | 79.5 | Confident | 82.2 | Confident | 40 Ų | 40 | 40 Ų | 40 | 20% | 0.197 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -63.6 | -18.4 | 174.3 | -69.1 | -64.6 | -68.2 | 0 | 0 | 113 | L422 N582 P583 T587 K588 L589 | L422-M585 HydrophobicContact CD1-CE 3.36Å; N582-M585 HydrophobicContact CB-CG 3.96Å; N582-M585 WeakPolarHBondContact O-CB 3.47Å; N582-M585 WeakPolarHBondContact O-CG 3.49Å; N582-M585 PolarHBondContact O-N 3.21Å; P583-M585 PolarHBondContact O-N 3.11Å; P583-M585 VanDerWaalsContact O-N 3.16Å; M585-T587 PolarHBondContact O-N 2.82Å; M585-K588 HydrophobicContact CE-CD 4.3Å; M585-K588 PolarHBondContact O-N 2.74Å; M585-K588 VanDerWaalsContact O-N 3.08Å; M585-K588 HydrophobicContact SD-CD 4.26Å; M585-L589 PolarHBondContact O-N 2.78Å |
| 586 | V | 78.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.5 | -34.2 | 175.6 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | I579 P583 S584 K588 L589 R590 L634 I637 M697 | I579-V586 HydrophobicContact CG2-CG2 4.39Å; P583-V586 WeakPolarHBondContact O-CB 3.37Å; P583-V586 WeakPolarHBondContact O-CG2 3.47Å; P583-V586 PolarHBondContact O-N 3.21Å; S584-V586 PolarHBondContact O-N 2.97Å; V586-K588 PolarHBondContact O-N 3.04Å; V586-L589 WeakPolarHBondContact O-CB 3.19Å; V586-L589 PolarHBondContact O-N 3.34Å; V586-R590 PolarHBondContact O-N 3.05Å; V586-L634 HydrophobicContact CG1-CD2 4.19Å; V586-L634 HydrophobicContact CG2-CD2 4.17Å; V586-I637 HydrophobicContact CG2-CD1 3.94Å; V586-M697 HydrophobicContact CG1-CB 4.24Å; V586-M697 HydrophobicContact CG1-SD 4.25Å |
| 587 | T | 78 | Confident | 82.1 | Confident | 51 Ų | 51 | 38.5 Ų | 38.5 | 31% | 0.313 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.4 | -39.6 | 176.8 | -53.3 | 0 | 0 | 0 | 0 | 112.5 | S584 M585 R590 | S584-T587 PolarHBondContact O-N 2.85Å; M585-T587 PolarHBondContact O-N 2.82Å; T587-R590 WeakPolarHBondContact O-CB 3.36Å |
| 588 | K | 80.8 | Confident | 81.7 | Confident | 62 Ų | 62 | 35.1 Ų | 35.1 | 27% | 0.27 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -74.3 | -34.7 | 176.3 | -63.7 | -173.2 | 175.8 | -167.8 | 0 | 111.9 | L422 D423 M585 V586 R590 A591 T592 | L422-K588 HydrophobicContact CB-CB 4.41Å; L422-K588 HydrophobicContact CD2-CB 4.4Å; D423-K588 IonicContact OD1-NZ 2.7Å; D423-K588 PolarHBondContact OD1-NZ 3.45Å; M585-K588 HydrophobicContact CE-CD 4.3Å; M585-K588 PolarHBondContact O-N 2.74Å; M585-K588 VanDerWaalsContact O-N 3.08Å; M585-K588 HydrophobicContact SD-CD 4.26Å; V586-K588 PolarHBondContact O-N 3.04Å; K588-R590 VanDerWaalsContact C-N 3.31Å; K588-R590 PolarHBondContact O-N 3.39Å; K588-A591 PolarHBondContact O-N 2.87Å; K588-T592 PolarHBondContact O-N 3.41Å; K588-T592 PolarHBondContact O-OG1 3.08Å |
| 589 | L | 82.6 | Confident | 81.4 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -38.5 | 174.2 | -78.4 | 165.9 | 0 | 0 | 0 | 111.7 | F418 L422 M575 I579 M585 V586 A591 T592 F593 | F418-L589 HydrophobicContact CE2-CD2 4.47Å; F418-L589 HydrophobicContact CZ-CD2 4.07Å; L422-L589 HydrophobicContact CD2-CD2 3.75Å; L422-L589 HydrophobicContact CD2-CG 4.06Å; M575-L589 HydrophobicContact CG-CD2 4.09Å; M575-L589 HydrophobicContact SD-CD2 4.23Å; I579-L589 HydrophobicContact CD1-CD1 3.5Å; I579-L589 HydrophobicContact CG1-CD1 3.56Å; M585-L589 PolarHBondContact O-N 2.78Å; V586-L589 WeakPolarHBondContact O-CB 3.19Å; V586-L589 PolarHBondContact O-N 3.34Å; L589-A591 VanDerWaalsContact C-N 3.3Å; L589-A591 PolarHBondContact O-N 2.77Å; L589-T592 CarbonylContact O-C 3.58Å; L589-T592 WeakPolarHBondContact O-CA 3.34Å; L589-T592 WeakPolarHBondContact O-CB 3.37Å; L589-T592 PolarHBondContact O-N 2.92Å; L589-F593 HydrophobicContact CB-CE2 4.01Å; L589-F593 HydrophobicContact CB-CZ 4.36Å; L589-F593 VanDerWaalsContact O-CD2 3.24Å; L589-F593 WeakPolarHBondContact O-CD2 3.24Å; L589-F593 WeakPolarHBondContact O-CG 3.34Å; L589-F593 PolarHBondContact O-N 3.44Å |
| 590 | R | 83.9 | Confident | 81.1 | Confident | 41 Ų | 41 | 33.4 Ų | 33.4 | 16% | 0.155 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -52.8 | -47.3 | 172.4 | 175.4 | -168.9 | 165.9 | -168.3 | 4.5 | 111.9 | V586 T587 K588 T592 F593 L594 M697 T700 | V586-R590 PolarHBondContact O-N 3.05Å; T587-R590 WeakPolarHBondContact O-CB 3.36Å; K588-R590 VanDerWaalsContact C-N 3.31Å; K588-R590 PolarHBondContact O-N 3.39Å; R590-T592 VanDerWaalsContact C-N 3.26Å; R590-T592 PolarHBondContact O-N 2.97Å; R590-F593 PolarHBondContact O-N 2.83Å; R590-L594 HydrophobicContact CG-CD1 4.46Å; R590-L594 WeakPolarHBondContact O-CG 3.4Å; R590-L594 PolarHBondContact O-N 2.94Å; R590-M697 HydrophobicContact CB-CE 4.12Å; R590-M697 HydrophobicContact CB-CG 4.2Å; R590-M697 HydrophobicContact CG-CE 3.98Å; R590-M697 HydrophobicContact CG-CG 4.2Å; R590-T700 HydrophobicContact CG-CG2 3.84Å |
| 591 | A | 84.3 | Confident | 80.6 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63 | -35.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | A425 Q426 F429 K588 L589 L594 K595 | A425-A591 HydrophobicContact CB-CB 4.35Å; Q426-A591 HydrophobicContact CB-CB 4.37Å; F429-A591 HydrophobicContact CB-CB 3.98Å; F429-A591 HydrophobicContact CG-CB 4.38Å; K588-A591 PolarHBondContact O-N 2.87Å; L589-A591 VanDerWaalsContact C-N 3.3Å; L589-A591 PolarHBondContact O-N 2.77Å; A591-L594 PolarHBondContact O-N 2.79Å; A591-K595 PolarHBondContact O-N 3.22Å |
| 592 | T | 85.9 | Confident | 80 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.2 | -38.7 | 176 | -51.9 | 0 | 0 | 0 | 0 | 112.1 | L421 L422 K588 L589 R590 K595 L596 | L421-T592 HydrophobicContact CD2-CG2 4.03Å; L421-T592 HydrophobicContact CG-CG2 4.24Å; L422-T592 WeakPolarHBondContact CD2-OG1 3.09Å; K588-T592 PolarHBondContact O-N 3.41Å; K588-T592 PolarHBondContact O-OG1 3.08Å; L589-T592 CarbonylContact O-C 3.58Å; L589-T592 WeakPolarHBondContact O-CA 3.34Å; L589-T592 WeakPolarHBondContact O-CB 3.37Å; L589-T592 PolarHBondContact O-N 2.92Å; R590-T592 VanDerWaalsContact C-N 3.26Å; R590-T592 PolarHBondContact O-N 2.97Å; T592-K595 WeakPolarHBondContact O-CB 3.22Å; T592-K595 PolarHBondContact O-N 2.91Å; T592-L596 PolarHBondContact O-N 3.36Å |
| 593 | F | 84.6 | Confident | 79.4 | Confident | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.6 | -38.2 | 174.1 | -60.7 | -43.5 | 0 | 0 | 0 | 112.4 | L589 R590 K595 L596 A597 Y629 V630 V633 | L589-F593 HydrophobicContact CB-CE2 4.01Å; L589-F593 HydrophobicContact CB-CZ 4.36Å; L589-F593 VanDerWaalsContact O-CD2 3.24Å; L589-F593 WeakPolarHBondContact O-CD2 3.24Å; L589-F593 WeakPolarHBondContact O-CG 3.34Å; L589-F593 PolarHBondContact O-N 3.44Å; R590-F593 PolarHBondContact O-N 2.83Å; F593-K595 VanDerWaalsContact C-N 3.3Å; F593-K595 PolarHBondContact O-N 3.14Å; F593-L596 HydrophobicContact CD1-CD1 4.2Å; F593-L596 PolarHBondContact O-N 3.4Å; F593-A597 PolarHBondContact O-N 3.06Å; F593-Y629 HydrophobicContact CE1-CD1 4.15Å; F593-Y629 AromaticContact CE1-CE1 3.97Å; F593-Y629 HydrophobicContact CE1-CE1 3.97Å; F593-V630 HydrophobicContact CB-CG2 4.1Å; F593-V630 HydrophobicContact CD1-CG2 3.66Å; F593-V630 HydrophobicContact CD2-CG1 4.15Å; F593-V630 HydrophobicContact CD2-CG2 3.76Å; F593-V630 HydrophobicContact CE1-CG2 3.92Å; F593-V630 HydrophobicContact CE2-CB 4.41Å; F593-V630 HydrophobicContact CE2-CG1 3.93Å; F593-V630 HydrophobicContact CE2-CG2 4.01Å; F593-V630 HydrophobicContact CG-CG2 3.59Å; F593-V630 HydrophobicContact CZ-CB 4.45Å; F593-V630 HydrophobicContact CZ-CG1 4.36Å; F593-V630 HydrophobicContact CZ-CG2 4.09Å; F593-V633 HydrophobicContact CZ-CB 4.15Å; F593-V633 HydrophobicContact CZ-CG1 4.1Å; F593-V633 HydrophobicContact CZ-CG2 4.46Å |
| 594 | L | 83.3 | Confident | 79.3 | Confident | 40 Ų | 40 | 26.8 Ų | 26.8 | 21% | 0.209 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.4 | -35.8 | 173 | -70.7 | 173.5 | 0 | 0 | 0 | 111.9 | F429 R590 A591 A597 S598 T700 | F429-L594 HydrophobicContact CD2-CD1 3.7Å; F429-L594 HydrophobicContact CE2-CD1 3.43Å; F429-L594 VanDerWaalsContact CE2-CD1 3.43Å; F429-L594 HydrophobicContact CZ-CD1 4.2Å; R590-L594 HydrophobicContact CG-CD1 4.46Å; R590-L594 WeakPolarHBondContact O-CG 3.4Å; R590-L594 PolarHBondContact O-N 2.94Å; A591-L594 PolarHBondContact O-N 2.79Å; L594-A597 WeakPolarHBondContact O-CB 3.43Å; L594-A597 PolarHBondContact O-N 2.98Å; L594-S598 PolarHBondContact O-N 3.1Å; L594-T700 HydrophobicContact CD1-CG2 4.29Å; L594-T700 HydrophobicContact CD2-CG2 4.4Å |
| 595 | K | 86.5 | Confident | 79.2 | Confident | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.035 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 171.8 | -175.3 | 172.2 | -178.2 | 135.7 | 0 | 112 | N377 A425 E428 G559 L561 A591 T592 F593 A597 S598 | N377-K595 PolarHBondContact OD1-NZ 3.02Å; A425-K595 HydrophobicContact CB-CB 4.43Å; A425-K595 HydrophobicContact CB-CD 4.04Å; E428-K595 IonicContact OE2-NZ 3.39Å; E428-K595 PolarHBondContact OE2-NZ 2.9Å; G559-K595 WeakPolarHBondContact O-CE 3.41Å; L561-K595 HydrophobicContact CB-CG 4.18Å; L561-K595 HydrophobicContact CD2-CD 4.13Å; L561-K595 HydrophobicContact CD2-CG 3.98Å; A591-K595 PolarHBondContact O-N 3.22Å; T592-K595 WeakPolarHBondContact O-CB 3.22Å; T592-K595 PolarHBondContact O-N 2.91Å; F593-K595 VanDerWaalsContact C-N 3.3Å; F593-K595 PolarHBondContact O-N 3.14Å; K595-A597 VanDerWaalsContact C-N 3.29Å; K595-A597 PolarHBondContact O-N 3.44Å; K595-S598 WeakPolarHBondContact O-CB 3.31Å; K595-S598 PolarHBondContact O-N 2.62Å; K595-S598 PolarHBondContact O-OG 2.95Å |
| 596 | L | 84.2 | Confident | 78.7 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.2 | -36.1 | 173.2 | -70.7 | 165.1 | 0 | 0 | 0 | 112.5 | L561 I568 T592 F593 S598 A599 L626 Y629 | L561-L596 HydrophobicContact CD2-CD2 3.5Å; L561-L596 HydrophobicContact CD2-CG 3.92Å; L561-L596 HydrophobicContact CG-CD2 3.95Å; I568-L596 HydrophobicContact CD1-CD1 3.59Å; I568-L596 HydrophobicContact CD1-CD2 3.77Å; I568-L596 HydrophobicContact CD1-CG 4.07Å; T592-L596 PolarHBondContact O-N 3.36Å; F593-L596 HydrophobicContact CD1-CD1 4.2Å; F593-L596 PolarHBondContact O-N 3.4Å; L596-S598 PolarHBondContact O-N 2.8Å; L596-A599 VanDerWaalsContact O-CB 3.23Å; L596-A599 WeakPolarHBondContact O-CB 3.46Å; L596-A599 PolarHBondContact O-N 2.87Å; L596-L626 HydrophobicContact CB-CD1 3.78Å; L596-L626 HydrophobicContact CB-CD2 4.39Å; L596-L626 HydrophobicContact CD1-CD1 4.03Å; L596-Y629 HydrophobicContact CD1-CE1 4.36Å |
| 597 | A | 81.8 | Confident | 78.6 | Confident | 12 Ų | 12 | 26 Ų | 26 | 10% | 0.099 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.2 | -29.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F593 L594 K595 A599 L600 L626 V702 | F593-A597 PolarHBondContact O-N 3.06Å; L594-A597 WeakPolarHBondContact O-CB 3.43Å; L594-A597 PolarHBondContact O-N 2.98Å; K595-A597 VanDerWaalsContact C-N 3.29Å; K595-A597 PolarHBondContact O-N 3.44Å; A597-A599 PolarHBondContact O-N 3.42Å; A597-L600 VanDerWaalsContact O-CB 3.26Å; A597-L600 WeakPolarHBondContact O-CB 3.28Å; A597-L600 VanDerWaalsContact O-CG 3.27Å; A597-L600 WeakPolarHBondContact O-CG 3.39Å; A597-L600 PolarHBondContact O-N 3.49Å; A597-L600 VanDerWaalsContact O-N 3.1Å; A597-L626 HydrophobicContact CB-CD2 3.73Å; A597-V702 HydrophobicContact CB-CG1 4.24Å |
| 598 | S | 76.6 | Confident | 78.6 | Confident | 25 Ų | 25 | 28.1 Ų | 28.1 | 18% | 0.175 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -65.8 | -21.1 | 175.7 | 73.6 | 0 | 0 | 0 | 0 | 113.8 | L594 K595 L596 L600 D601 | L594-S598 PolarHBondContact O-N 3.1Å; K595-S598 WeakPolarHBondContact O-CB 3.31Å; K595-S598 PolarHBondContact O-N 2.62Å; K595-S598 PolarHBondContact O-OG 2.95Å; L596-S598 PolarHBondContact O-N 2.8Å; S598-L600 PolarHBondContact O-N 3.33Å; S598-D601 WeakPolarHBondContact O-CB 3.47Å; S598-D601 PolarHBondContact O-N 3.32Å |
| 599 | A | 75.6 | Confident | 78.3 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -64.3 | -20.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W565 L596 A597 D601 | W565-A599 HydrophobicContact CE3-CB 4.32Å; W565-A599 HydrophobicContact CZ3-CB 4.5Å; L596-A599 VanDerWaalsContact O-CB 3.23Å; L596-A599 WeakPolarHBondContact O-CB 3.46Å; L596-A599 PolarHBondContact O-N 2.87Å; A597-A599 PolarHBondContact O-N 3.42Å; A599-D601 VanDerWaalsContact C-N 3.29Å |
| 600 | L | 76.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -74.6 | -20.8 | 179.3 | -53.1 | -173 | 0 | 0 | 0 | 112.7 | M301 W565 A597 S598 L602 P603 L604 Y622 | M301-L600 HydrophobicContact CE-CD2 3.73Å; W565-L600 HydrophobicContact CH2-CD2 3.58Å; W565-L600 HydrophobicContact CZ3-CD2 3.7Å; A597-L600 VanDerWaalsContact O-CB 3.26Å; A597-L600 WeakPolarHBondContact O-CB 3.28Å; A597-L600 VanDerWaalsContact O-CG 3.27Å; A597-L600 WeakPolarHBondContact O-CG 3.39Å; A597-L600 PolarHBondContact O-N 3.49Å; A597-L600 VanDerWaalsContact O-N 3.1Å; S598-L600 PolarHBondContact O-N 3.33Å; L600-L602 VanDerWaalsContact C-N 3.26Å; L600-L602 PolarHBondContact O-N 3.26Å; L600-P603 VanDerWaalsContact O-CD 3.24Å; L600-P603 WeakPolarHBondContact O-CD 3.24Å; L600-P603 WeakPolarHBondContact O-CG 3.46Å; L600-L604 HydrophobicContact CB-CD1 4.05Å; L600-L604 WeakPolarHBondContact O-CB 3.35Å; L600-L604 WeakPolarHBondContact O-CD1 3.4Å; L600-L604 WeakPolarHBondContact O-CG 3.49Å; L600-L604 PolarHBondContact O-N 3.31Å; L600-Y622 VanDerWaalsContact CD2-CB 3.46Å; L600-Y622 HydrophobicContact CD2-CD1 4.44Å; L600-Y622 HydrophobicContact CD2-CG 4.06Å |
| 601 | D | 71.8 | Confident | 77.3 | Confident | 69 Ų | 69 | 33.5 Ų | 33.5 | 37% | 0.369 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.5 | -36.9 | -176.2 | -67.1 | -20.2 | 0 | 0 | 0 | 111 | Q556 S598 A599 L604 L605 | Q556-D601 PolarHBondContact NE2-OD2 2.87Å; S598-D601 WeakPolarHBondContact O-CB 3.47Å; S598-D601 PolarHBondContact O-N 3.32Å; A599-D601 VanDerWaalsContact C-N 3.29Å; D601-L604 PolarHBondContact O-N 3.15Å; D601-L605 WeakPolarHBondContact O-CB 3.3Å; D601-L605 PolarHBondContact O-N 3.17Å |
| 602 | L | 70.1 | Confident | 77 | Confident | 97 Ų | 97 | 34.8 Ų | 34.8 | 51% | 0.508 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.3 | -56.1 | -177 | -172.9 | 71.3 | 0 | 0 | 0 | 113.5 | L600 L604 | L600-L602 VanDerWaalsContact C-N 3.26Å; L600-L602 PolarHBondContact O-N 3.26Å; L602-L604 VanDerWaalsContact C-N 3.31Å; L602-L604 PolarHBondContact O-N 3.35Å |
| 603 | P | 68.7 | Low | 76.6 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 5% | 0.045 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.1 | -26.5 | 177.6 | 27.3 | -36.2 | 0 | 0 | 0 | 113.4 | M301 L600 Y622 | M301-P603 HydrophobicContact CE-CG 3.77Å; L600-P603 VanDerWaalsContact O-CD 3.24Å; L600-P603 WeakPolarHBondContact O-CD 3.24Å; L600-P603 WeakPolarHBondContact O-CG 3.46Å; P603-Y622 HydrophobicContact CB-CE2 4.49Å; P603-Y622 HydrophobicContact CG-CE2 4.39Å |
| 604 | L | 76 | Confident | 76.3 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -83.2 | -28.6 | -177.5 | -64.9 | 177.1 | 0 | 0 | 0 | 113.3 | L600 D601 L602 R606 I607 N608 L615 V618 | L600-L604 HydrophobicContact CB-CD1 4.05Å; L600-L604 WeakPolarHBondContact O-CB 3.35Å; L600-L604 WeakPolarHBondContact O-CD1 3.4Å; L600-L604 WeakPolarHBondContact O-CG 3.49Å; L600-L604 PolarHBondContact O-N 3.31Å; D601-L604 PolarHBondContact O-N 3.15Å; L602-L604 VanDerWaalsContact C-N 3.31Å; L602-L604 PolarHBondContact O-N 3.35Å; L604-R606 VanDerWaalsContact C-N 3.32Å; L604-R606 PolarHBondContact O-N 3.09Å; L604-I607 PolarHBondContact O-N 2.91Å; L604-I607 VanDerWaalsContact O-N 3.15Å; L604-N608 WeakPolarHBondContact O-CB 3.41Å; L604-N608 PolarHBondContact O-N 3.35Å; L604-L615 HydrophobicContact CB-CD1 4.47Å; L604-L615 HydrophobicContact CD2-CD1 4.18Å; L604-V618 HydrophobicContact CD2-CB 4.34Å; L604-V618 HydrophobicContact CD2-CG1 3.95Å |
| 605 | L | 74 | Confident | 76.2 | Confident | 84 Ų | 84 | 42.4 Ų | 42.4 | 44% | 0.44 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.9 | -44.8 | -177 | -177.3 | 151.2 | 0 | 0 | 0 | 111.7 | D601 N608 Q609 | D601-L605 WeakPolarHBondContact O-CB 3.3Å; D601-L605 PolarHBondContact O-N 3.17Å; L605-N608 PolarHBondContact O-N 3.14Å; L605-Q609 HydrophobicContact CD2-CG 4.44Å; L605-Q609 VanDerWaalsContact O-CG 3.29Å; L605-Q609 WeakPolarHBondContact O-CG 3.44Å; L605-Q609 PolarHBondContact O-N 2.94Å |
| 606 | R | 70.6 | Confident | 76 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 6% | 0.057 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.7 | -34.6 | 179.1 | -62.6 | -54.5 | -171.1 | -167 | 2.6 | 113.2 | V21 Q139 E148 L604 A610 | V21-R606 HydrophobicContact CG1-CB 4.26Å; V21-R606 HydrophobicContact CG1-CG 4.19Å; Q139-R606 PolarHBondContact O-NH2 3.36Å; E148-R606 IonicContact OE2-NE 2.88Å; L604-R606 VanDerWaalsContact C-N 3.32Å; L604-R606 PolarHBondContact O-N 3.09Å; R606-A610 WeakPolarHBondContact O-CB 3.42Å; R606-A610 PolarHBondContact O-N 3.41Å; R606-A610 VanDerWaalsContact O-N 3.13Å |
| 607 | I | 75 | Confident | 75.8 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.9 | -38.8 | 178.1 | -54.8 | 174.6 | 0 | 0 | 0 | 110.3 | N25 L604 A610 N611 S612 L615 V618 | N25-I607 HydrophobicContact CB-CD1 4.09Å; N25-I607 HydrophobicContact CB-CG1 4.39Å; L604-I607 PolarHBondContact O-N 2.91Å; L604-I607 VanDerWaalsContact O-N 3.15Å; I607-A610 PolarHBondContact O-N 3.35Å; I607-N611 PolarHBondContact O-N 3.48Å; I607-S612 PolarHBondContact O-N 3.49Å; I607-L615 HydrophobicContact CB-CD1 4.02Å; I607-L615 HydrophobicContact CG2-CB 3.8Å; I607-L615 HydrophobicContact CG2-CD1 3.97Å; I607-V618 HydrophobicContact CD1-CB 3.99Å; I607-V618 HydrophobicContact CD1-CG1 3.86Å; I607-V618 HydrophobicContact CD1-CG2 3.97Å |
| 608 | N | 78.9 | Confident | 75.8 | Confident | 94 Ų | 94 | 49 Ų | 49 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 176 | -167.5 | 28.5 | 0 | 0 | 0 | 111.3 | L604 L605 A610 N611 L615 | L604-N608 WeakPolarHBondContact O-CB 3.41Å; L604-N608 PolarHBondContact O-N 3.35Å; L605-N608 PolarHBondContact O-N 3.14Å; N608-A610 PolarHBondContact O-N 3.25Å; N608-N611 PolarHBondContact O-N 3.39Å; N608-N611 VanDerWaalsContact O-N 3.08Å; N608-N611 PolarHBondContact O-OD1 3.06Å; N608-L615 HydrophobicContact CB-CD1 4.21Å; N608-L615 HydrophobicContact CB-CD2 4.38Å |
| 609 | Q | 73.1 | Confident | 76.1 | Confident | 70 Ų | 70 | 48 Ų | 48 | 33% | 0.327 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.1 | -33 | 173.7 | -74.5 | 174.9 | -16.9 | 0 | 0 | 112.7 | L18 L605 N611 | L18-Q609 HydrophobicContact CD1-CB 4.13Å; L18-Q609 HydrophobicContact CD2-CB 4.2Å; L605-Q609 HydrophobicContact CD2-CG 4.44Å; L605-Q609 VanDerWaalsContact O-CG 3.29Å; L605-Q609 WeakPolarHBondContact O-CG 3.44Å; L605-Q609 PolarHBondContact O-N 2.94Å; Q609-N611 VanDerWaalsContact C-N 3.34Å |
| 610 | A | 69.2 | Low | 76.5 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 12% | 0.116 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -8.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L18 R606 I607 N608 S612 | L18-A610 HydrophobicContact CD2-CB 4.09Å; L18-A610 HydrophobicContact CG-CB 3.87Å; R606-A610 WeakPolarHBondContact O-CB 3.42Å; R606-A610 PolarHBondContact O-N 3.41Å; R606-A610 VanDerWaalsContact O-N 3.13Å; I607-A610 PolarHBondContact O-N 3.35Å; N608-A610 PolarHBondContact O-N 3.25Å; A610-S612 PolarHBondContact O-N 2.92Å |
| 611 | N | 77.1 | Confident | 76.8 | Confident | 135 Ų | 135 | 54.2 Ų | 54.2 | 72% | 0.722 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 37.5 | -170.5 | -69.3 | -46.7 | 0 | 0 | 0 | 113.5 | I607 N608 Q609 | I607-N611 PolarHBondContact O-N 3.48Å; N608-N611 PolarHBondContact O-N 3.39Å; N608-N611 VanDerWaalsContact O-N 3.08Å; N608-N611 PolarHBondContact O-OD1 3.06Å; Q609-N611 VanDerWaalsContact C-N 3.34Å |
| 612 | S | 77.1 | Confident | 77.3 | Confident | 31 Ų | 31 | 51 Ų | 51 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | trans | -74.6 | 143.9 | 179.7 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | I607 A610 D614 L615 | I607-S612 PolarHBondContact O-N 3.49Å; A610-S612 PolarHBondContact O-N 2.92Å; S612-D614 PolarHBondContact O-N 3.03Å; S612-D614 VanDerWaalsContact O-N 3.15Å; S612-D614 PolarHBondContact OG-N 3.44Å; S612-D614 PolarHBondContact OG-OD2 3.04Å; S612-L615 WeakPolarHBondContact O-CB 3.33Å; S612-L615 PolarHBondContact O-N 3.17Å | ||
| 613 | A | 78.4 | Confident | 78 | Confident | 93 Ų | 93 | 46.4 Ų | 46.4 | 77% | 0.769 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L615 | A613-L615 PolarHBondContact O-N 3.27Š|
| 614 | D | 78.5 | Confident | 78.8 | Confident | 66 Ų | 66 | 47.4 Ų | 47.4 | 35% | 0.353 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.1 | -14.8 | -179.7 | -57.1 | -44.1 | 0 | 0 | 0 | 113.6 | A26 S612 L616 S617 V618 | A26-D614 HydrophobicContact CB-CB 4.14Å; S612-D614 PolarHBondContact O-N 3.03Å; S612-D614 VanDerWaalsContact O-N 3.15Å; S612-D614 PolarHBondContact OG-N 3.44Å; S612-D614 PolarHBondContact OG-OD2 3.04Å; D614-L616 VanDerWaalsContact C-N 3.28Å; D614-L616 PolarHBondContact O-N 3.08Å; D614-S617 PolarHBondContact O-N 3.33Å; D614-S617 VanDerWaalsContact O-N 3.1Å; D614-V618 WeakPolarHBondContact O-CG2 3.5Å; D614-V618 PolarHBondContact O-N 3.18Å |
| 615 | L | 80.1 | Confident | 79.1 | Confident | 45 Ų | 45 | 50 Ų | 50 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -53.4 | -45.7 | -179 | -176.6 | 66.4 | 0 | 0 | 0 | 112.1 | L604 I607 N608 S612 A613 S619 | L604-L615 HydrophobicContact CB-CD1 4.47Å; L604-L615 HydrophobicContact CD2-CD1 4.18Å; I607-L615 HydrophobicContact CB-CD1 4.02Å; I607-L615 HydrophobicContact CG2-CB 3.8Å; I607-L615 HydrophobicContact CG2-CD1 3.97Å; N608-L615 HydrophobicContact CB-CD1 4.21Å; N608-L615 HydrophobicContact CB-CD2 4.38Å; S612-L615 WeakPolarHBondContact O-CB 3.33Å; S612-L615 PolarHBondContact O-N 3.17Å; A613-L615 PolarHBondContact O-N 3.27Å; L615-S619 WeakPolarHBondContact O-CB 3.24Å; L615-S619 PolarHBondContact O-N 3.25Å |
| 616 | L | 82.7 | Confident | 79.6 | Confident | 110 Ų | 110 | 46.3 Ų | 46.3 | 58% | 0.576 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.2 | -44.6 | 179.8 | -70.4 | 171.6 | 0 | 0 | 0 | 111 | D614 Q620 | D614-L616 VanDerWaalsContact C-N 3.28Å; D614-L616 PolarHBondContact O-N 3.08Å; L616-Q620 VanDerWaalsContact O-CB 3.22Å; L616-Q620 WeakPolarHBondContact O-CB 3.44Å; L616-Q620 WeakPolarHBondContact O-CG 2.85Å; L616-Q620 PolarHBondContact O-N 3.37Å |
| 617 | S | 81.4 | Confident | 80.2 | Confident | 46 Ų | 46 | 46.1 Ų | 46.1 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -68.2 | -44.9 | -177.3 | -165.1 | 0 | 0 | 0 | 0 | 112.5 | R33 D614 Q620 F621 | R33-S617 PolarHBondContact NH1-OG 3.37Å; R33-S617 PolarHBondContact NH2-O 3.17Å; R33-S617 PolarHBondContact NH2-OG 3.47Å; R33-S617 VanDerWaalsContact NH2-OG 3.14Å; D614-S617 PolarHBondContact O-N 3.33Å; D614-S617 VanDerWaalsContact O-N 3.1Å; S617-Q620 PolarHBondContact O-N 2.99Å; S617-F621 PolarHBondContact O-N 2.72Å |
| 618 | V | 81.1 | Confident | 80.6 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.03 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.4 | -43.5 | -179 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | A26 A29 L604 I607 D614 Q620 F621 Y622 | A26-V618 HydrophobicContact CB-CG2 3.96Å; A29-V618 HydrophobicContact CB-CG1 4.01Å; A29-V618 HydrophobicContact CB-CG2 4.17Å; L604-V618 HydrophobicContact CD2-CB 4.34Å; L604-V618 HydrophobicContact CD2-CG1 3.95Å; I607-V618 HydrophobicContact CD1-CB 3.99Å; I607-V618 HydrophobicContact CD1-CG1 3.86Å; I607-V618 HydrophobicContact CD1-CG2 3.97Å; D614-V618 WeakPolarHBondContact O-CG2 3.5Å; D614-V618 PolarHBondContact O-N 3.18Å; V618-Q620 VanDerWaalsContact C-N 3.34Å; V618-Q620 PolarHBondContact O-N 3.25Å; V618-F621 WeakPolarHBondContact O-CB 3.44Å; V618-F621 PolarHBondContact O-N 2.97Å; V618-Y622 HydrophobicContact CG1-CD2 3.78Å; V618-Y622 HydrophobicContact CG1-CE2 3.61Å; V618-Y622 WeakPolarHBondContact O-CD2 3.32Å; V618-Y622 PolarHBondContact O-N 2.89Å; V618-Y622 VanDerWaalsContact O-N 3.14Å |
| 619 | S | 82.4 | Confident | 80.9 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.028 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.2 | -35 | 177.7 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | L615 F621 S623 I704 | L615-S619 WeakPolarHBondContact O-CB 3.24Å; L615-S619 PolarHBondContact O-N 3.25Å; S619-F621 VanDerWaalsContact C-N 3.34Å; S619-S623 WeakPolarHBondContact O-CB 3.4Å; S619-S623 PolarHBondContact O-N 3.44Å; S619-S623 PolarHBondContact O-OG 3.25Å; S619-I704 WeakPolarHBondContact OG-CD1 3.38Å; S619-I704 WeakPolarHBondContact OG-CG1 3.37Å |
| 620 | Q | 83.2 | Confident | 81.5 | Confident | 110 Ų | 110 | 41.8 Ų | 41.8 | 51% | 0.514 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.1 | -39.2 | 171.9 | -79.8 | 172.3 | 1.4 | 0 | 0 | 112 | L616 S617 V618 G624 | L616-Q620 VanDerWaalsContact O-CB 3.22Å; L616-Q620 WeakPolarHBondContact O-CB 3.44Å; L616-Q620 WeakPolarHBondContact O-CG 2.85Å; L616-Q620 PolarHBondContact O-N 3.37Å; S617-Q620 PolarHBondContact O-N 2.99Å; V618-Q620 VanDerWaalsContact C-N 3.34Å; V618-Q620 PolarHBondContact O-N 3.25Å; Q620-G624 WeakPolarHBondContact O-CA 3.35Å; Q620-G624 PolarHBondContact O-N 2.95Å |
| 621 | F | 83.3 | Confident | 82.2 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 9% | 0.092 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.3 | -59.2 | 176.9 | 175 | -112.3 | 0 | 0 | 0 | 111.8 | A29 L32 R33 S617 V618 S619 S623 G624 E625 | A29-F621 HydrophobicContact CB-CD1 3.99Å; A29-F621 HydrophobicContact CB-CE1 4.5Å; L32-F621 HydrophobicContact CB-CE1 3.88Å; L32-F621 HydrophobicContact CB-CZ 3.7Å; L32-F621 HydrophobicContact CD1-CE1 4.4Å; R33-F621 HydrophobicContact CB-CD2 3.85Å; R33-F621 HydrophobicContact CB-CE2 3.62Å; R33-F621 HydrophobicContact CB-CZ 4.24Å; R33-F621 HydrophobicContact CG-CD2 4.04Å; R33-F621 HydrophobicContact CG-CE2 4.07Å; S617-F621 PolarHBondContact O-N 2.72Å; V618-F621 WeakPolarHBondContact O-CB 3.44Å; V618-F621 PolarHBondContact O-N 2.97Å; S619-F621 VanDerWaalsContact C-N 3.34Å; F621-S623 PolarHBondContact O-N 2.94Å; F621-G624 WeakPolarHBondContact O-CA 3.47Å; F621-G624 PolarHBondContact O-N 2.76Å; F621-E625 HydrophobicContact CD2-CG 4.47Å; F621-E625 HydrophobicContact CE1-CG 4.43Å; F621-E625 HydrophobicContact CE2-CG 4.02Å; F621-E625 HydrophobicContact CZ-CG 4Å; F621-E625 PolarHBondContact O-N 2.8Å |
| 622 | Y | 82.6 | Confident | 82.6 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.2 | -35.3 | -176.3 | -70.5 | -66.2 | 0 | 0 | 0 | 113.3 | A29 Y300 M301 W565 L600 P603 V618 G624 E625 L626 | A29-Y622 HydrophobicContact CB-CE2 4.11Å; Y300-Y622 PolarHBondContact OH-OH 3.2Å; M301-Y622 HydrophobicContact CE-CD1 3.65Å; M301-Y622 HydrophobicContact CE-CD2 4.46Å; M301-Y622 HydrophobicContact CE-CE1 3.64Å; M301-Y622 HydrophobicContact CE-CE2 4.44Å; M301-Y622 HydrophobicContact CE-CG 4.1Å; M301-Y622 HydrophobicContact CG-CE1 4.22Å; W565-Y622 HydrophobicContact CZ2-CD1 4.44Å; L600-Y622 VanDerWaalsContact CD2-CB 3.46Å; L600-Y622 HydrophobicContact CD2-CD1 4.44Å; L600-Y622 HydrophobicContact CD2-CG 4.06Å; P603-Y622 HydrophobicContact CB-CE2 4.49Å; P603-Y622 HydrophobicContact CG-CE2 4.39Å; V618-Y622 HydrophobicContact CG1-CD2 3.78Å; V618-Y622 HydrophobicContact CG1-CE2 3.61Å; V618-Y622 WeakPolarHBondContact O-CD2 3.32Å; V618-Y622 PolarHBondContact O-N 2.89Å; V618-Y622 VanDerWaalsContact O-N 3.14Å; Y622-G624 VanDerWaalsContact C-N 3.29Å; Y622-E625 PolarHBondContact O-N 2.59Å; Y622-L626 PolarHBondContact O-N 2.81Å |
| 623 | S | 84.6 | Confident | 83 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | 171.5 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | S619 F621 L626 V627 G703 I704 | S619-S623 WeakPolarHBondContact O-CB 3.4Å; S619-S623 PolarHBondContact O-N 3.44Å; S619-S623 PolarHBondContact O-OG 3.25Å; F621-S623 PolarHBondContact O-N 2.94Å; S623-L626 PolarHBondContact O-N 3.02Å; S623-V627 WeakPolarHBondContact O-CB 3.46Å; S623-V627 WeakPolarHBondContact O-CG2 3.34Å; S623-V627 PolarHBondContact O-N 2.93Å; S623-G703 WeakPolarHBondContact OG-CA 3.29Å; S623-I704 PolarHBondContact OG-N 3.03Å |
| 624 | G | 84.7 | Confident | 83.3 | Confident | 27 Ų | 27 | 36.5 Ų | 36.5 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q620 F621 Y622 V627 A628 | Q620-G624 WeakPolarHBondContact O-CA 3.35Å; Q620-G624 PolarHBondContact O-N 2.95Å; F621-G624 WeakPolarHBondContact O-CA 3.47Å; F621-G624 PolarHBondContact O-N 2.76Å; Y622-G624 VanDerWaalsContact C-N 3.29Å; G624-V627 PolarHBondContact O-N 3.4Å; G624-A628 WeakPolarHBondContact O-CB 3.25Å; G624-A628 PolarHBondContact O-N 3.18Å |
| 625 | E | 82.7 | Confident | 83.6 | Confident | 78 Ų | 78 | 34.4 Ų | 34.4 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.7 | -46.2 | 174.8 | -74.6 | -63 | 104.5 | 0 | 0 | 111.8 | W565 F621 Y622 V627 A628 Y629 | W565-E625 HydrophobicContact CZ2-CB 4.11Å; F621-E625 HydrophobicContact CD2-CG 4.47Å; F621-E625 HydrophobicContact CE1-CG 4.43Å; F621-E625 HydrophobicContact CE2-CG 4.02Å; F621-E625 HydrophobicContact CZ-CG 4Å; F621-E625 PolarHBondContact O-N 2.8Å; Y622-E625 PolarHBondContact O-N 2.59Å; E625-V627 PolarHBondContact O-N 3.18Å; E625-A628 WeakPolarHBondContact O-CB 3.41Å; E625-A628 PolarHBondContact O-N 2.89Å; E625-Y629 PolarHBondContact O-N 2.82Å |
| 626 | L | 84.3 | Confident | 83.9 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 177.7 | -173.6 | 57.8 | 0 | 0 | 0 | 111.7 | W565 L596 A597 Y622 S623 A628 Y629 V630 V702 | W565-L626 HydrophobicContact CH2-CB 3.98Å; W565-L626 HydrophobicContact CH2-CD1 4.43Å; W565-L626 HydrophobicContact CZ3-CD1 4.47Å; L596-L626 HydrophobicContact CB-CD1 3.78Å; L596-L626 HydrophobicContact CB-CD2 4.39Å; L596-L626 HydrophobicContact CD1-CD1 4.03Å; A597-L626 HydrophobicContact CB-CD2 3.73Å; Y622-L626 PolarHBondContact O-N 2.81Å; S623-L626 PolarHBondContact O-N 3.02Å; L626-A628 VanDerWaalsContact C-N 3.35Å; L626-Y629 WeakPolarHBondContact O-CB 3.22Å; L626-Y629 PolarHBondContact O-N 3.42Å; L626-V630 VanDerWaalsContact O-CG2 3.31Å; L626-V630 WeakPolarHBondContact O-CG2 3.16Å; L626-V630 PolarHBondContact O-N 2.99Å; L626-V702 HydrophobicContact CB-CG1 4.33Å; L626-V702 HydrophobicContact CD2-CG1 3.27Å; L626-V702 HydrophobicContact CG-CG1 3.73Å |
| 627 | V | 84.4 | Confident | 83.9 | Confident | 11 Ų | 11 | 27.7 Ų | 27.7 | 7% | 0.067 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.6 | -38.4 | 175.8 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | S623 G624 E625 Y629 V630 R631 I705 V707 | S623-V627 WeakPolarHBondContact O-CB 3.46Å; S623-V627 WeakPolarHBondContact O-CG2 3.34Å; S623-V627 PolarHBondContact O-N 2.93Å; G624-V627 PolarHBondContact O-N 3.4Å; E625-V627 PolarHBondContact O-N 3.18Å; V627-Y629 VanDerWaalsContact C-N 3.31Å; V627-Y629 PolarHBondContact O-N 3.12Å; V627-V630 PolarHBondContact O-N 2.92Å; V627-R631 HydrophobicContact CG1-CG 4.44Å; V627-R631 WeakPolarHBondContact O-CB 3.43Å; V627-R631 VanDerWaalsContact O-CG 3.24Å; V627-R631 WeakPolarHBondContact O-CG 3.17Å; V627-R631 PolarHBondContact O-N 3.05Å; V627-I705 HydrophobicContact CG2-CB 4.19Å; V627-I705 HydrophobicContact CG2-CD1 4.31Å; V627-I705 HydrophobicContact CG2-CG2 4.12Å; V627-V707 HydrophobicContact CG2-CG2 3.73Å |
| 628 | A | 83.6 | Confident | 84.2 | Confident | 49 Ų | 49 | 25.7 Ų | 25.7 | 41% | 0.405 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G624 E625 L626 R631 K632 | G624-A628 WeakPolarHBondContact O-CB 3.25Å; G624-A628 PolarHBondContact O-N 3.18Å; E625-A628 WeakPolarHBondContact O-CB 3.41Å; E625-A628 PolarHBondContact O-N 2.89Å; L626-A628 VanDerWaalsContact C-N 3.35Å; A628-R631 PolarHBondContact O-N 2.77Å; A628-K632 WeakPolarHBondContact O-CB 3.29Å; A628-K632 PolarHBondContact O-N 3.29Å |
| 629 | Y | 85.3 | Confident | 84.4 | Confident | 23 Ų | 23 | 28.4 Ų | 28.4 | 9% | 0.09 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.7 | -47.5 | 172.8 | -178.2 | -103.9 | 0 | 0 | 0 | 112.4 | I568 D569 T572 M575 F593 L596 E625 L626 V627 R631 K632 V633 | I568-Y629 HydrophobicContact CG2-CE1 4.09Å; I568-Y629 HydrophobicContact CG2-CE2 4.15Å; I568-Y629 PolarHBondContact O-OH 3.14Å; D569-Y629 WeakPolarHBondContact OD1-CE2 3.19Å; T572-Y629 WeakPolarHBondContact OG1-CE2 3.4Å; T572-Y629 PolarHBondContact OG1-OH 3.4Å; M575-Y629 PolarHBondContact SD-OH 3.33Å; M575-Y629 VanDerWaalsContact SD-OH 3.35Å; F593-Y629 HydrophobicContact CE1-CD1 4.15Å; F593-Y629 AromaticContact CE1-CE1 3.97Å; F593-Y629 HydrophobicContact CE1-CE1 3.97Å; L596-Y629 HydrophobicContact CD1-CE1 4.36Å; E625-Y629 PolarHBondContact O-N 2.82Å; L626-Y629 WeakPolarHBondContact O-CB 3.22Å; L626-Y629 PolarHBondContact O-N 3.42Å; V627-Y629 VanDerWaalsContact C-N 3.31Å; V627-Y629 PolarHBondContact O-N 3.12Å; Y629-R631 VanDerWaalsContact C-N 3.29Å; Y629-R631 PolarHBondContact O-N 3.07Å; Y629-K632 WeakPolarHBondContact O-CB 3.5Å; Y629-K632 PolarHBondContact O-N 3.03Å; Y629-K632 VanDerWaalsContact O-N 3.09Å; Y629-V633 HydrophobicContact CD1-CG2 4.32Å; Y629-V633 HydrophobicContact CE1-CG2 3.82Å; Y629-V633 HydrophobicContact CE2-CG2 4.11Å; Y629-V633 WeakPolarHBondContact O-CG2 3.48Å; Y629-V633 PolarHBondContact O-N 3.18Å |
| 630 | V | 84.4 | Confident | 84.6 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.4 | -45.2 | 174.8 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | F593 L626 V627 K632 V633 L634 L712 | F593-V630 HydrophobicContact CB-CG2 4.1Å; F593-V630 HydrophobicContact CD1-CG2 3.66Å; F593-V630 HydrophobicContact CD2-CG1 4.15Å; F593-V630 HydrophobicContact CD2-CG2 3.76Å; F593-V630 HydrophobicContact CE1-CG2 3.92Å; F593-V630 HydrophobicContact CE2-CB 4.41Å; F593-V630 HydrophobicContact CE2-CG1 3.93Å; F593-V630 HydrophobicContact CE2-CG2 4.01Å; F593-V630 HydrophobicContact CG-CG2 3.59Å; F593-V630 HydrophobicContact CZ-CB 4.45Å; F593-V630 HydrophobicContact CZ-CG1 4.36Å; F593-V630 HydrophobicContact CZ-CG2 4.09Å; L626-V630 VanDerWaalsContact O-CG2 3.31Å; L626-V630 WeakPolarHBondContact O-CG2 3.16Å; L626-V630 PolarHBondContact O-N 2.99Å; V627-V630 PolarHBondContact O-N 2.92Å; V630-K632 PolarHBondContact O-N 2.68Å; V630-V633 PolarHBondContact O-N 3.3Å; V630-L634 HydrophobicContact CG1-CD1 3.78Å; V630-L634 HydrophobicContact CG1-CG 4.37Å; V630-L634 WeakPolarHBondContact O-CB 3.41Å; V630-L634 WeakPolarHBondContact O-CG 3.46Å; V630-L634 PolarHBondContact O-N 2.93Å; V630-L712 HydrophobicContact CG1-CD1 4.34Å |
| 631 | R | 84.4 | Confident | 84.6 | Confident | 56 Ų | 56 | 23.5 Ų | 23.5 | 21% | 0.211 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.3 | -43.7 | 175.6 | -74.1 | 169.7 | -178.7 | -80.3 | 8.5 | 111.6 | V627 A628 Y629 L634 Q635 L712 D715 | V627-R631 HydrophobicContact CG1-CG 4.44Å; V627-R631 WeakPolarHBondContact O-CB 3.43Å; V627-R631 VanDerWaalsContact O-CG 3.24Å; V627-R631 WeakPolarHBondContact O-CG 3.17Å; V627-R631 PolarHBondContact O-N 3.05Å; A628-R631 PolarHBondContact O-N 2.77Å; Y629-R631 VanDerWaalsContact C-N 3.29Å; Y629-R631 PolarHBondContact O-N 3.07Å; R631-L634 PolarHBondContact O-N 2.73Å; R631-Q635 WeakPolarHBondContact O-CB 2.99Å; R631-Q635 PolarHBondContact O-N 2.64Å; R631-L712 HydrophobicContact CG-CD2 3.58Å; R631-D715 IonicContact CZ-OD2 3.01Å; R631-D715 VanDerWaalsContact CZ-OD2 3.32Å; R631-D715 IonicContact NH1-OD2 3.21Å; R631-D715 PolarHBondContact NH1-OD2 3.33Å; R631-D715 IonicContact NH2-OD2 3.78Å; R631-D715 PolarHBondContact NH2-OD2 3.36Å |
| 632 | K | 86.5 | Confident | 84.7 | Confident | 95 Ų | 95 | 22.9 Ų | 22.9 | 41% | 0.413 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 176.6 | -179.9 | -173 | 174.9 | -169.6 | 0 | 112 | D569 Q576 A628 Y629 V630 | D569-K632 IonicContact OD1-NZ 2.62Å; D569-K632 PolarHBondContact OD1-NZ 2.89Å; Q576-K632 PolarHBondContact NE2-O 3.5Å; A628-K632 WeakPolarHBondContact O-CB 3.29Å; A628-K632 PolarHBondContact O-N 3.29Å; Y629-K632 WeakPolarHBondContact O-CB 3.5Å; Y629-K632 PolarHBondContact O-N 3.03Å; Y629-K632 VanDerWaalsContact O-N 3.09Å; V630-K632 PolarHBondContact O-N 2.68Å |
| 633 | V | 84.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.1 | -45.9 | 178.5 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | T572 M575 I579 F593 Y629 V630 Q635 I636 | T572-V633 HydrophobicContact CG2-CG2 4.31Å; M575-V633 HydrophobicContact CB-CG1 3.93Å; M575-V633 HydrophobicContact SD-CG1 4.19Å; M575-V633 HydrophobicContact SD-CG2 4Å; I579-V633 HydrophobicContact CD1-CG1 3.87Å; F593-V633 HydrophobicContact CZ-CB 4.15Å; F593-V633 HydrophobicContact CZ-CG1 4.1Å; F593-V633 HydrophobicContact CZ-CG2 4.46Å; Y629-V633 HydrophobicContact CD1-CG2 4.32Å; Y629-V633 HydrophobicContact CE1-CG2 3.82Å; Y629-V633 HydrophobicContact CE2-CG2 4.11Å; Y629-V633 WeakPolarHBondContact O-CG2 3.48Å; Y629-V633 PolarHBondContact O-N 3.18Å; V630-V633 PolarHBondContact O-N 3.3Å; V633-Q635 VanDerWaalsContact C-N 3.32Å; V633-Q635 PolarHBondContact O-N 3.33Å; V633-I636 WeakPolarHBondContact O-CG2 3.38Å |
| 634 | L | 84.4 | Confident | 84.9 | Confident | 10 Ų | 10 | 25.8 Ų | 25.8 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -76.2 | -15.9 | -178.3 | -65.3 | 177.8 | 0 | 0 | 0 | 113.9 | I579 V586 V630 R631 I636 I637 P638 L712 | I579-L634 HydrophobicContact CD1-CD2 4.47Å; V586-L634 HydrophobicContact CG1-CD2 4.19Å; V586-L634 HydrophobicContact CG2-CD2 4.17Å; V630-L634 HydrophobicContact CG1-CD1 3.78Å; V630-L634 HydrophobicContact CG1-CG 4.37Å; V630-L634 WeakPolarHBondContact O-CB 3.41Å; V630-L634 WeakPolarHBondContact O-CG 3.46Å; V630-L634 PolarHBondContact O-N 2.93Å; R631-L634 PolarHBondContact O-N 2.73Å; L634-I636 PolarHBondContact O-N 3.45Å; L634-I636 VanDerWaalsContact O-N 3.07Å; L634-I637 HydrophobicContact CD2-CD1 4.08Å; L634-I637 WeakPolarHBondContact O-CB 3.35Å; L634-I637 PolarHBondContact O-N 2.94Å; L634-P638 VanDerWaalsContact O-CD 3.25Å; L634-P638 WeakPolarHBondContact O-CD 3.41Å; L634-L712 HydrophobicContact CD1-CD1 3.94Å |
| 635 | Q | 85.3 | Confident | 84.8 | Confident | 23 Ų | 23 | 24.8 Ų | 24.8 | 11% | 0.107 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -27 | 177.4 | -171.7 | 63.2 | 28.4 | 0 | 0 | 113.3 | R631 V633 I637 P638 E639 G716 E720 | R631-Q635 WeakPolarHBondContact O-CB 2.99Å; R631-Q635 PolarHBondContact O-N 2.64Å; V633-Q635 VanDerWaalsContact C-N 3.32Å; V633-Q635 PolarHBondContact O-N 3.33Å; Q635-I637 PolarHBondContact O-N 3.45Å; Q635-I637 VanDerWaalsContact O-N 3.16Å; Q635-P638 VanDerWaalsContact O-CD 3.31Å; Q635-P638 WeakPolarHBondContact O-CD 3.25Å; Q635-E639 PolarHBondContact O-N 2.99Å; Q635-G716 PolarHBondContact NE2-O 3.07Å; Q635-E720 PolarHBondContact NE2-OE1 3.33Å |
| 636 | I | 85.4 | Confident | 84.8 | Confident | 13 Ų | 13 | 23.1 Ų | 23.1 | 7% | 0.067 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.8 | -25.6 | 177.1 | -167.4 | 60.1 | 0 | 0 | 0 | 112.8 | Q576 I579 V633 L634 S640 | Q576-I636 HydrophobicContact CB-CB 3.99Å; Q576-I636 HydrophobicContact CB-CD1 4.41Å; Q576-I636 HydrophobicContact CB-CG1 3.93Å; Q576-I636 HydrophobicContact CB-CG2 4.16Å; Q576-I636 HydrophobicContact CG-CB 3.88Å; Q576-I636 HydrophobicContact CG-CG1 4.37Å; Q576-I636 HydrophobicContact CG-CG2 4.07Å; I579-I636 HydrophobicContact CB-CG2 4.11Å; I579-I636 HydrophobicContact CD1-CG2 4.12Å; I579-I636 HydrophobicContact CG2-CG2 3.91Å; V633-I636 WeakPolarHBondContact O-CG2 3.38Å; L634-I636 PolarHBondContact O-N 3.45Å; L634-I636 VanDerWaalsContact O-N 3.07Å; I636-S640 VanDerWaalsContact O-CB 3.26Å; I636-S640 WeakPolarHBondContact O-CB 3.21Å; I636-S640 PolarHBondContact O-N 3.5Å; I636-S640 PolarHBondContact O-OG 3.24Å |
| 637 | I | 84.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.7 | -57.7 | -179.5 | -59.1 | 171.9 | 0 | 0 | 0 | 109.3 | I579 V586 L634 Q635 E639 S640 M641 F690 I694 | I579-I637 HydrophobicContact CG2-CD1 3.62Å; I579-I637 HydrophobicContact CG2-CG1 3.41Å; I579-I637 VanDerWaalsContact CG2-CG1 3.41Å; V586-I637 HydrophobicContact CG2-CD1 3.94Å; L634-I637 HydrophobicContact CD2-CD1 4.08Å; L634-I637 WeakPolarHBondContact O-CB 3.35Å; L634-I637 PolarHBondContact O-N 2.94Å; Q635-I637 PolarHBondContact O-N 3.45Å; Q635-I637 VanDerWaalsContact O-N 3.16Å; I637-E639 VanDerWaalsContact C-N 3.28Å; I637-E639 PolarHBondContact O-N 3.21Å; I637-S640 PolarHBondContact O-N 3.43Å; I637-S640 VanDerWaalsContact O-N 3.14Å; I637-M641 WeakPolarHBondContact O-CG 3.45Å; I637-M641 PolarHBondContact O-N 3.29Å; I637-F690 HydrophobicContact CG2-CB 3.86Å; I637-F690 HydrophobicContact CG2-CD1 4.25Å; I637-F690 HydrophobicContact CG2-CG 4.36Å; I637-I694 HydrophobicContact CB-CD1 3.77Å; I637-I694 HydrophobicContact CD1-CD1 3.51Å; I637-I694 HydrophobicContact CD1-CG1 3.37Å; I637-I694 HydrophobicContact CG1-CD1 4.23Å; I637-I694 HydrophobicContact CG2-CD1 3.43Å; I637-I694 VanDerWaalsContact CG2-CD1 3.43Å; I637-I694 HydrophobicContact CG2-CG1 4.19Å |
| 638 | P | 86.2 | Confident | 84.7 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.019 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -47.9 | -46.1 | 165.6 | -27.4 | 31 | 0 | 0 | 0 | 114.2 | L634 Q635 S640 M641 F642 G716 E720 | L634-P638 VanDerWaalsContact O-CD 3.25Å; L634-P638 WeakPolarHBondContact O-CD 3.41Å; Q635-P638 VanDerWaalsContact O-CD 3.31Å; Q635-P638 WeakPolarHBondContact O-CD 3.25Å; P638-S640 VanDerWaalsContact C-N 3.32Å; P638-S640 PolarHBondContact O-N 3.41Å; P638-M641 VanDerWaalsContact CA-CE 3.49Å; P638-M641 HydrophobicContact CB-CE 4.2Å; P638-M641 HydrophobicContact CG-CE 4.24Å; P638-M641 PolarHBondContact O-N 3.19Å; P638-F642 VanDerWaalsContact O-CD2 3.27Å; P638-F642 WeakPolarHBondContact O-CD2 3.33Å; P638-F642 PolarHBondContact O-N 3.41Å; P638-G716 WeakPolarHBondContact CB-O 3.4Å; P638-E720 HydrophobicContact CB-CG 3.91Å |
| 639 | E | 86.3 | Confident | 84.5 | Confident | 63 Ų | 63 | 26.1 Ų | 26.1 | 29% | 0.294 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 179.9 | -174.9 | 177.9 | -178.9 | 0 | 0 | 112.6 | Q635 I637 T643 E720 | Q635-E639 PolarHBondContact O-N 2.99Å; I637-E639 VanDerWaalsContact C-N 3.28Å; I637-E639 PolarHBondContact O-N 3.21Å; E639-T643 WeakPolarHBondContact O-CB 3.36Å; E639-T643 PolarHBondContact O-N 3.27Å; E639-T643 PolarHBondContact O-OG1 3.06Å; E639-E720 HydrophobicContact CB-CG 4.47Å |
| 640 | S | 85.4 | Confident | 84.4 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.5 | -40.9 | 176.7 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | R580 I636 I637 P638 T643 S644 | R580-S640 PolarHBondContact NE-OG 3.48Å; I636-S640 VanDerWaalsContact O-CB 3.26Å; I636-S640 WeakPolarHBondContact O-CB 3.21Å; I636-S640 PolarHBondContact O-N 3.5Å; I636-S640 PolarHBondContact O-OG 3.24Å; I637-S640 PolarHBondContact O-N 3.43Å; I637-S640 VanDerWaalsContact O-N 3.14Å; P638-S640 VanDerWaalsContact C-N 3.32Å; P638-S640 PolarHBondContact O-N 3.41Å; S640-T643 WeakPolarHBondContact O-CB 3.48Å; S640-T643 PolarHBondContact O-N 2.73Å; S640-S644 PolarHBondContact O-N 3.37Å; S640-S644 PolarHBondContact O-OG 3.35Å |
| 641 | M | 84.7 | Confident | 84.2 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.4 | -50.2 | 172.8 | -68.5 | -171 | -57.5 | 0 | 0 | 110.9 | I637 P638 T643 S644 L645 I687 F690 L713 I717 | I637-M641 WeakPolarHBondContact O-CG 3.45Å; I637-M641 PolarHBondContact O-N 3.29Å; P638-M641 VanDerWaalsContact CA-CE 3.49Å; P638-M641 HydrophobicContact CB-CE 4.2Å; P638-M641 HydrophobicContact CG-CE 4.24Å; P638-M641 PolarHBondContact O-N 3.19Å; M641-T643 VanDerWaalsContact C-N 3.28Å; M641-T643 PolarHBondContact O-N 3.18Å; M641-S644 WeakPolarHBondContact O-CB 3.44Å; M641-S644 PolarHBondContact O-N 3.22Å; M641-S644 VanDerWaalsContact O-N 3.14Å; M641-L645 VanDerWaalsContact O-CB 3.32Å; M641-L645 WeakPolarHBondContact O-CB 3.37Å; M641-L645 PolarHBondContact O-N 2.99Å; M641-I687 HydrophobicContact CG-CG2 4.33Å; M641-I687 HydrophobicContact SD-CG2 4.18Å; M641-F690 HydrophobicContact CG-CB 4.08Å; M641-F690 HydrophobicContact SD-CB 4.44Å; M641-L713 HydrophobicContact CE-CD1 3.47Å; M641-L713 VanDerWaalsContact CE-CD1 3.47Å; M641-L713 HydrophobicContact SD-CD1 4.4Å; M641-I717 HydrophobicContact CE-CD1 3.95Å; M641-I717 HydrophobicContact CE-CG1 3.67Å |
| 642 | F | 83.9 | Confident | 83.7 | Confident | 7 Ų | 7 | 31.7 Ų | 31.7 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.1 | -27 | 178.3 | -86.9 | -106.4 | 0 | 0 | 0 | 113.6 | P638 L645 A646 I717 E720 L721 R724 F762 | P638-F642 VanDerWaalsContact O-CD2 3.27Å; P638-F642 WeakPolarHBondContact O-CD2 3.33Å; P638-F642 PolarHBondContact O-N 3.41Å; F642-L645 PolarHBondContact O-N 3.2Å; F642-A646 WeakPolarHBondContact O-CB 3.45Å; F642-A646 PolarHBondContact O-N 3.26Å; F642-I717 HydrophobicContact CE2-CB 4.37Å; F642-I717 HydrophobicContact CE2-CG2 3.99Å; F642-I717 HydrophobicContact CZ-CG2 4.17Å; F642-I717 WeakPolarHBondContact CZ-O 3.21Å; F642-E720 HydrophobicContact CD1-CB 4.25Å; F642-E720 HydrophobicContact CD2-CB 3.69Å; F642-E720 HydrophobicContact CD2-CG 4.34Å; F642-E720 HydrophobicContact CE1-CB 4.25Å; F642-E720 HydrophobicContact CE2-CB 3.68Å; F642-E720 HydrophobicContact CG-CB 3.94Å; F642-E720 HydrophobicContact CZ-CB 3.92Å; F642-L721 HydrophobicContact CE1-CB 4.15Å; F642-L721 HydrophobicContact CZ-CB 3.86Å; F642-R724 HydrophobicContact CD1-CG 4.28Å; F642-F762 HydrophobicContact CE1-CE2 4.19Å; F642-F762 AromaticContact CE1-CZ 3.86Å; F642-F762 HydrophobicContact CE1-CZ 3.86Å; F642-F762 HydrophobicContact CE2-CZ 4.47Å; F642-F762 HydrophobicContact CZ-CE1 4.4Å; F642-F762 HydrophobicContact CZ-CE2 4.32Å; F642-F762 AromaticContact CZ-CZ 3.54Å; F642-F762 HydrophobicContact CZ-CZ 3.54Å |
| 643 | T | 86.5 | Confident | 83 | Confident | 49 Ų | 49 | 30.4 Ų | 30.4 | 30% | 0.301 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -68.3 | -41.9 | 172.8 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | E639 S640 M641 K647 | E639-T643 WeakPolarHBondContact O-CB 3.36Å; E639-T643 PolarHBondContact O-N 3.27Å; E639-T643 PolarHBondContact O-OG1 3.06Å; S640-T643 WeakPolarHBondContact O-CB 3.48Å; S640-T643 PolarHBondContact O-N 2.73Å; M641-T643 VanDerWaalsContact C-N 3.28Å; M641-T643 PolarHBondContact O-N 3.18Å; T643-K647 PolarHBondContact O-N 3.25Å |
| 644 | S | 84.8 | Confident | 82.5 | Confident | 15 Ų | 15 | 37 Ų | 37 | 11% | 0.105 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -41.3 | 170.8 | -63 | 0 | 0 | 0 | 0 | 111.3 | S640 M641 A646 K647 I648 | S640-S644 PolarHBondContact O-N 3.37Å; S640-S644 PolarHBondContact O-OG 3.35Å; M641-S644 WeakPolarHBondContact O-CB 3.44Å; M641-S644 PolarHBondContact O-N 3.22Å; M641-S644 VanDerWaalsContact O-N 3.14Å; S644-A646 PolarHBondContact O-N 3.43Å; S644-K647 WeakPolarHBondContact O-CB 3.49Å; S644-K647 PolarHBondContact O-N 3.44Å; S644-K647 VanDerWaalsContact O-N 3.1Å; S644-I648 WeakPolarHBondContact O-CG1 3.47Å; S644-I648 PolarHBondContact O-N 3.24Å |
| 645 | L | 83.1 | Confident | 82 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.6 | -41.4 | 177.7 | -142.3 | 158.1 | 0 | 0 | 0 | 112 | M641 F642 K647 I648 I649 I765 | M641-L645 VanDerWaalsContact O-CB 3.32Å; M641-L645 WeakPolarHBondContact O-CB 3.37Å; M641-L645 PolarHBondContact O-N 2.99Å; F642-L645 PolarHBondContact O-N 3.2Å; L645-K647 VanDerWaalsContact C-N 3.27Å; L645-K647 PolarHBondContact O-N 2.88Å; L645-I648 CarbonylContact O-C 3.52Å; L645-I648 WeakPolarHBondContact O-CA 3.42Å; L645-I648 WeakPolarHBondContact O-CB 3.33Å; L645-I648 PolarHBondContact O-N 3.18Å; L645-I648 VanDerWaalsContact O-N 3.08Å; L645-I649 HydrophobicContact CD2-CD1 3.67Å; L645-I649 HydrophobicContact CD2-CG1 3.96Å; L645-I649 WeakPolarHBondContact O-CG1 3.39Å; L645-I649 PolarHBondContact O-N 3.4Å; L645-I765 HydrophobicContact CB-CD1 4.41Å; L645-I765 HydrophobicContact CD1-CD1 3.3Å; L645-I765 HydrophobicContact CD2-CD1 4.22Å; L645-I765 HydrophobicContact CG-CD1 3.33Å |
| 646 | A | 83 | Confident | 81.4 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.6 | -33.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F642 S644 K650 | F642-A646 WeakPolarHBondContact O-CB 3.45Å; F642-A646 PolarHBondContact O-N 3.26Å; S644-A646 PolarHBondContact O-N 3.43Å; A646-K650 PolarHBondContact O-N 2.87Å |
| 647 | K | 84.1 | Confident | 80.7 | Confident | 110 Ų | 110 | 43.7 Ų | 43.7 | 48% | 0.478 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.9 | -41.8 | 172 | -63.8 | 176 | -178 | 178.4 | 0 | 110.7 | T643 S644 L645 K650 L651 L683 | T643-K647 PolarHBondContact O-N 3.25Å; S644-K647 WeakPolarHBondContact O-CB 3.49Å; S644-K647 PolarHBondContact O-N 3.44Å; S644-K647 VanDerWaalsContact O-N 3.1Å; L645-K647 VanDerWaalsContact C-N 3.27Å; L645-K647 PolarHBondContact O-N 2.88Å; K647-K650 PolarHBondContact O-N 3.32Å; K647-L651 VanDerWaalsContact O-CG 3.28Å; K647-L651 WeakPolarHBondContact O-CG 3.32Å; K647-L651 PolarHBondContact O-N 3.16Å; K647-L683 HydrophobicContact CB-CD1 3.79Å; K647-L683 HydrophobicContact CD-CD1 4.43Å; K647-L683 HydrophobicContact CD-CD2 4.21Å |
| 648 | I | 82.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 174.1 | -63.8 | 169.6 | 0 | 0 | 0 | 110.5 | S644 L645 K650 L651 Q652 V680 L683 I687 | S644-I648 WeakPolarHBondContact O-CG1 3.47Å; S644-I648 PolarHBondContact O-N 3.24Å; L645-I648 CarbonylContact O-C 3.52Å; L645-I648 WeakPolarHBondContact O-CA 3.42Å; L645-I648 WeakPolarHBondContact O-CB 3.33Å; L645-I648 PolarHBondContact O-N 3.18Å; L645-I648 VanDerWaalsContact O-N 3.08Å; I648-K650 VanDerWaalsContact C-N 3.32Å; I648-K650 PolarHBondContact O-N 3.21Å; I648-L651 PolarHBondContact O-N 2.81Å; I648-Q652 HydrophobicContact CG2-CG 4.13Å; I648-Q652 WeakPolarHBondContact O-CB 3.47Å; I648-Q652 WeakPolarHBondContact O-CG 3.15Å; I648-Q652 PolarHBondContact O-N 3.29Å; I648-V680 HydrophobicContact CG2-CG1 4.37Å; I648-L683 HydrophobicContact CD1-CB 3.99Å; I648-L683 HydrophobicContact CG1-CB 3.99Å; I648-L683 HydrophobicContact CG1-CD1 3.92Å; I648-I687 HydrophobicContact CD1-CD1 3.93Å |
| 649 | I | 80 | Confident | 79.2 | Confident | 17 Ų | 17 | 54 Ų | 54 | 9% | 0.087 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.2 | -47.8 | 176.8 | -69.3 | 165.9 | 0 | 0 | 0 | 110.4 | L645 L651 Q652 I653 F758 S761 | L645-I649 HydrophobicContact CD2-CD1 3.67Å; L645-I649 HydrophobicContact CD2-CG1 3.96Å; L645-I649 WeakPolarHBondContact O-CG1 3.39Å; L645-I649 PolarHBondContact O-N 3.4Å; I649-L651 PolarHBondContact O-N 2.85Å; I649-Q652 PolarHBondContact O-N 3.39Å; I649-I653 HydrophobicContact CG2-CD1 3.49Å; I649-I653 VanDerWaalsContact CG2-CD1 3.49Å; I649-I653 HydrophobicContact CG2-CG1 4.2Å; I649-I653 WeakPolarHBondContact O-CG1 3.47Å; I649-I653 PolarHBondContact O-N 2.85Å; I649-F758 HydrophobicContact CD1-CD1 3.45Å; I649-F758 VanDerWaalsContact CD1-CD1 3.45Å; I649-F758 HydrophobicContact CD1-CE1 3.61Å; I649-F758 HydrophobicContact CD1-CG 4.25Å; I649-S761 WeakPolarHBondContact CG1-OG 3.06Å |
| 650 | K | 81.9 | Confident | 78.6 | Confident | 137 Ų | 137 | 53.8 Ų | 53.8 | 60% | 0.596 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.6 | -45.9 | 179.6 | -170.5 | -174.6 | 175.7 | -172.7 | 0 | 111.5 | A646 K647 I648 Q652 H654 | A646-K650 PolarHBondContact O-N 2.87Å; K647-K650 PolarHBondContact O-N 3.32Å; I648-K650 VanDerWaalsContact C-N 3.32Å; I648-K650 PolarHBondContact O-N 3.21Å; K650-Q652 VanDerWaalsContact C-N 3.35Å; K650-H654 WeakPolarHBondContact O-CB 3.48Å; K650-H654 PolarHBondContact O-N 3.08Å |
| 651 | L | 80.4 | Confident | 78.2 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -62.9 | -41.8 | 176.7 | -68.7 | 169.7 | 0 | 0 | 0 | 110.9 | K647 I648 I649 D655 I656 E679 V680 L683 | K647-L651 VanDerWaalsContact O-CG 3.28Å; K647-L651 WeakPolarHBondContact O-CG 3.32Å; K647-L651 PolarHBondContact O-N 3.16Å; I648-L651 PolarHBondContact O-N 2.81Å; I649-L651 PolarHBondContact O-N 2.85Å; L651-D655 HydrophobicContact CD2-CB 4.41Å; L651-D655 WeakPolarHBondContact CD2-OD2 3.44Å; L651-D655 CarbonylContact O-C 3.53Å; L651-D655 WeakPolarHBondContact O-CA 3.3Å; L651-D655 WeakPolarHBondContact O-CB 3.42Å; L651-D655 PolarHBondContact O-N 3.1Å; L651-I656 WeakPolarHBondContact O-CG1 3.14Å; L651-I656 PolarHBondContact O-N 2.9Å; L651-E679 HydrophobicContact CD1-CB 4.26Å; L651-E679 HydrophobicContact CD1-CG 4.02Å; L651-V680 HydrophobicContact CB-CG2 4.27Å; L651-V680 HydrophobicContact CD1-CG2 3.91Å; L651-L683 HydrophobicContact CD1-CD1 4.33Å |
| 652 | Q | 73.6 | Confident | 77.6 | Confident | 46 Ų | 46 | 71.4 Ų | 71.4 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | I | π-helix | trans | -69.4 | -38.3 | -179.2 | -76.6 | -175 | -9.7 | 0 | 0 | 113.6 | I648 I649 K650 I656 S761 | I648-Q652 HydrophobicContact CG2-CG 4.13Å; I648-Q652 WeakPolarHBondContact O-CB 3.47Å; I648-Q652 WeakPolarHBondContact O-CG 3.15Å; I648-Q652 PolarHBondContact O-N 3.29Å; I649-Q652 PolarHBondContact O-N 3.39Å; K650-Q652 VanDerWaalsContact C-N 3.35Å; Q652-I656 HydrophobicContact CG-CD1 4.4Å; Q652-S761 PolarHBondContact OE1-OG 3.37Å |
| 653 | I | 72.1 | Confident | 77.3 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 35% | 0.349 | 38% | 0.376 | S | S | . | . | I | π-helix | trans | -79.2 | -42.7 | -178.4 | -64.8 | 173.5 | 0 | 0 | 0 | 111.6 | I649 | I649-I653 HydrophobicContact CG2-CD1 3.49Å; I649-I653 VanDerWaalsContact CG2-CD1 3.49Å; I649-I653 HydrophobicContact CG2-CG1 4.2Å; I649-I653 WeakPolarHBondContact O-CG1 3.47Å; I649-I653 PolarHBondContact O-N 2.85Å |
| 654 | H | 75.8 | Confident | 77 | Confident | 138 Ų | 138 | 75.9 Ų | 75.9 | 64% | 0.639 | 39% | 0.386 | S | S | * | . | I | π-helix | trans | -103.4 | -33.2 | -167.8 | -63.9 | -63.3 | 0 | 0 | 0 | 114.2 | K650 | K650-H654 WeakPolarHBondContact O-CB 3.48Å; K650-H654 PolarHBondContact O-N 3.08Å |
| 655 | D | 72.3 | Confident | 76.7 | Confident | 82 Ų | 82 | 84 Ų | 84 | 44% | 0.439 | 42% | 0.42 | S | S | . | . | I | π-helix | trans | -108.9 | -35.4 | -168.2 | -59.2 | -44.2 | 0 | 0 | 0 | 112.4 | L651 Q673 | L651-D655 HydrophobicContact CD2-CB 4.41Å; L651-D655 WeakPolarHBondContact CD2-OD2 3.44Å; L651-D655 CarbonylContact O-C 3.53Å; L651-D655 WeakPolarHBondContact O-CA 3.3Å; L651-D655 WeakPolarHBondContact O-CB 3.42Å; L651-D655 PolarHBondContact O-N 3.1Å; D655-Q673 PolarHBondContact O-NE2 3.36Å; D655-Q673 PolarHBondContact O-OE1 3.44Å |
| 656 | I | 74.3 | Confident | 76.4 | Confident | 40 Ų | 40 | 90.8 Ų | 90.8 | 21% | 0.205 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 116.6 | -178.1 | -60.9 | 173.4 | 0 | 0 | 0 | 110.7 | L651 Q652 Q673 A676 V680 | L651-I656 WeakPolarHBondContact O-CG1 3.14Å; L651-I656 PolarHBondContact O-N 2.9Å; Q652-I656 HydrophobicContact CG-CD1 4.4Å; I656-Q673 VanDerWaalsContact CA-OE1 3.25Å; I656-A676 HydrophobicContact CG1-CB 4.17Å; I656-V680 HydrophobicContact CD1-CG2 3.86Å |
| 657 | T | 69.3 | Low | 76.1 | Confident | 65 Ų | 65 | 93.4 Ų | 93.4 | 40% | 0.399 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 129.7 | 172.2 | 49.4 | 0 | 0 | 0 | 0 | 110.5 | V659 Q673 | T657-V659 PolarHBondContact O-N 3.48Å; T657-Q673 VanDerWaalsContact N-OE1 3.13Å |
| 658 | E | 67.2 | Low | 75.6 | Confident | 137 Ų | 137 | 93.3 Ų | 93.3 | 64% | 0.64 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 136.8 | 173.2 | -72.8 | -168.2 | 144.5 | 0 | 0 | 111.4 | P660 F671 R760 | E658-P660 VanDerWaalsContact O-CD 3.29Å; E658-P660 WeakPolarHBondContact O-CD 3.48Å; E658-F671 WeakPolarHBondContact O-CE1 3.45Å; E658-R760 VanDerWaalsContact CD-NH1 3.32Å; E658-R760 IonicContact OE1-CZ 2.63Å; E658-R760 IonicContact OE1-NH1 3.54Å; E658-R760 PolarHBondContact OE1-NH1 3.04Å; E658-R760 IonicContact OE1-NH2 3.73Å; E658-R760 IonicContact OE2-NH1 2.92Å |
| 659 | V | 71.7 | Confident | 75.2 | Confident | 83 Ų | 83 | 101.4 Ų | 101.4 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 117.2 | 178.8 | -173.3 | 0 | 0 | 0 | 0 | 108.1 | T657 | T657-V659 PolarHBondContact O-N 3.48Š|
| 660 | P | 75.3 | Confident | 74.9 | Confident | 60 Ų | 60 | 106.1 Ų | 106.1 | 39% | 0.39 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 156.1 | 176.4 | 27.1 | -35.6 | 0 | 0 | 0 | 111.2 | E658 R662 L663 F671 | E658-P660 VanDerWaalsContact O-CD 3.29Å; E658-P660 WeakPolarHBondContact O-CD 3.48Å; P660-R662 PolarHBondContact O-N 2.89Å; P660-L663 HydrophobicContact CG-CD1 3.46Å; P660-L663 VanDerWaalsContact CG-CD1 3.46Å; P660-F671 HydrophobicContact CG-CE1 4.43Å |
| 661 | T | 75.4 | Confident | 74.5 | Confident | 155 Ų | 155 | 101.9 Ų | 101.9 | 95% | 0.951 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -61.3 | -18.4 | -179.6 | 49.9 | 0 | 0 | 0 | 0 | 114 | ||
| 662 | R | 73.9 | Confident | 74.2 | Confident | 226 Ų | 226 | 102.7 Ų | 102.7 | 85% | 0.853 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -136.3 | 129.4 | 170.3 | -66.3 | -176.7 | 178.7 | 178.2 | -0.3 | 109.4 | P660 | P660-R662 PolarHBondContact O-N 2.89Š|
| 663 | L | 77.1 | Confident | 74.5 | Confident | 52 Ų | 52 | 103 Ų | 103 | 27% | 0.272 | 51% | 0.514 | S | S | . | . | trans | -132.4 | 134.8 | -177.8 | -161.3 | 90.2 | 0 | 0 | 0 | 111 | P660 K667 L668 F671 | P660-L663 HydrophobicContact CG-CD1 3.46Å; P660-L663 VanDerWaalsContact CG-CD1 3.46Å; L663-K667 HydrophobicContact CD1-CB 4.48Å; L663-K667 HydrophobicContact CD2-CB 4.38Å; L663-K667 HydrophobicContact CG-CB 4.28Å; L663-L668 VanDerWaalsContact CD2-CA 3.46Å; L663-L668 HydrophobicContact CD2-CB 3.91Å; L663-L668 HydrophobicContact CD2-CD1 4.42Å; L663-L668 HydrophobicContact CD2-CG 4.19Å; L663-F671 HydrophobicContact CD1-CD1 4.21Å; L663-F671 HydrophobicContact CD1-CD2 3.6Å; L663-F671 HydrophobicContact CD1-CE1 4.21Å; L663-F671 HydrophobicContact CD1-CE2 3.6Å; L663-F671 HydrophobicContact CD1-CG 3.9Å; L663-F671 HydrophobicContact CD1-CZ 3.91Å; L663-F671 HydrophobicContact CD2-CB 4.34Å; L663-F671 HydrophobicContact CD2-CD2 4.2Å; L663-F671 HydrophobicContact CD2-CG 4.37Å; L663-F671 HydrophobicContact CG-CD2 4.46Å | ||
| 664 | D | 79 | Confident | 74.8 | Confident | 97 Ų | 97 | 105.9 Ų | 105.9 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | trans | -65.6 | 139 | 169.2 | -57.8 | -43.1 | 0 | 0 | 0 | 110.1 | D666 K667 | D664-D666 PolarHBondContact O-N 3.44Å; D664-D666 VanDerWaalsContact O-N 3.16Å; D664-K667 HydrophobicContact CB-CD 4.28Å; D664-K667 HydrophobicContact CB-CG 4.4Å; D664-K667 PolarHBondContact O-N 3.16Å; D664-K667 IonicContact OD2-NZ 2.73Å; D664-K667 PolarHBondContact OD2-NZ 3.22Å | ||
| 665 | K | 78.4 | Confident | 75.2 | Confident | 187 Ų | 187 | 102 Ų | 102 | 81% | 0.813 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -57.5 | -33.9 | -175.2 | -168.3 | 177.2 | 179.3 | -178.2 | 0 | 113.1 | K667 L668 | K665-K667 VanDerWaalsContact C-N 3.35Å; K665-L668 VanDerWaalsContact O-CB 3.23Å; K665-L668 WeakPolarHBondContact O-CB 3.31Å; K665-L668 PolarHBondContact O-N 2.72Å |
| 666 | D | 77.6 | Confident | 75.6 | Confident | 147 Ų | 147 | 99 Ų | 99 | 79% | 0.786 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -72.1 | -29 | -178.8 | -58 | -37.7 | 0 | 0 | 0 | 112.7 | D664 L668 | D664-D666 PolarHBondContact O-N 3.44Å; D664-D666 VanDerWaalsContact O-N 3.16Å; D666-L668 VanDerWaalsContact C-N 3.29Å; D666-L668 PolarHBondContact O-N 2.97Å |
| 667 | K | 76 | Confident | 76 | Confident | 99 Ų | 99 | 102.2 Ų | 102.2 | 43% | 0.43 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -79.5 | -12.1 | 177 | -65.3 | 176.3 | -176.2 | 150.7 | 0 | 112.3 | L663 D664 K665 K669 D670 F671 | L663-K667 HydrophobicContact CD1-CB 4.48Å; L663-K667 HydrophobicContact CD2-CB 4.38Å; L663-K667 HydrophobicContact CG-CB 4.28Å; D664-K667 HydrophobicContact CB-CD 4.28Å; D664-K667 HydrophobicContact CB-CG 4.4Å; D664-K667 PolarHBondContact O-N 3.16Å; D664-K667 IonicContact OD2-NZ 2.73Å; D664-K667 PolarHBondContact OD2-NZ 3.22Å; K665-K667 VanDerWaalsContact C-N 3.35Å; K667-K669 PolarHBondContact O-N 2.62Å; K667-K669 VanDerWaalsContact O-N 3.16Å; K667-D670 PolarHBondContact O-N 3.43Å; K667-F671 HydrophobicContact CB-CD2 4.15Å; K667-F671 HydrophobicContact CB-CE2 4.15Å; K667-F671 VanDerWaalsContact O-CD2 3.29Å; K667-F671 WeakPolarHBondContact O-CD2 3.33Å; K667-F671 PolarHBondContact O-N 2.74Å; K667-F671 VanDerWaalsContact O-N 3.14Å |
| 668 | L | 74.2 | Confident | 76.9 | Confident | 108 Ų | 108 | 107.1 Ų | 107.1 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.2 | -31 | -176 | -159.5 | 138.6 | 0 | 0 | 0 | 113 | L663 K665 D666 S672 | L663-L668 VanDerWaalsContact CD2-CA 3.46Å; L663-L668 HydrophobicContact CD2-CB 3.91Å; L663-L668 HydrophobicContact CD2-CD1 4.42Å; L663-L668 HydrophobicContact CD2-CG 4.19Å; K665-L668 VanDerWaalsContact O-CB 3.23Å; K665-L668 WeakPolarHBondContact O-CB 3.31Å; K665-L668 PolarHBondContact O-N 2.72Å; D666-L668 VanDerWaalsContact C-N 3.29Å; D666-L668 PolarHBondContact O-N 2.97Å; L668-S672 WeakPolarHBondContact O-CB 3.4Å; L668-S672 PolarHBondContact O-N 3.08Å |
| 669 | K | 74.1 | Confident | 77.8 | Confident | 171 Ų | 171 | 105 Ų | 105 | 74% | 0.743 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.8 | -37.9 | 176.3 | -157.9 | 175.2 | -177.4 | -178.1 | 0 | 111.8 | K667 S672 | K667-K669 PolarHBondContact O-N 2.62Å; K667-K669 VanDerWaalsContact O-N 3.16Å; K669-S672 PolarHBondContact O-N 3.28Å; K669-S672 PolarHBondContact O-OG 3.28Å |
| 670 | D | 74.6 | Confident | 78.4 | Confident | 116 Ų | 116 | 101.5 Ų | 101.5 | 62% | 0.62 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.4 | -37.3 | 179.3 | -58.6 | -26.6 | 0 | 0 | 0 | 111.7 | K667 Q673 | K667-D670 PolarHBondContact O-N 3.43Å; D670-Q673 VanDerWaalsContact O-CG 3.23Å; D670-Q673 WeakPolarHBondContact O-CG 3.43Å |
| 671 | F | 73.3 | Confident | 78.9 | Confident | 48 Ų | 48 | 101 Ų | 101 | 21% | 0.211 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -81 | -13.4 | 176.6 | -76.3 | -97.4 | 0 | 0 | 0 | 113.8 | E658 P660 L663 K667 R677 | E658-F671 WeakPolarHBondContact O-CE1 3.45Å; P660-F671 HydrophobicContact CG-CE1 4.43Å; L663-F671 HydrophobicContact CD1-CD1 4.21Å; L663-F671 HydrophobicContact CD1-CD2 3.6Å; L663-F671 HydrophobicContact CD1-CE1 4.21Å; L663-F671 HydrophobicContact CD1-CE2 3.6Å; L663-F671 HydrophobicContact CD1-CG 3.9Å; L663-F671 HydrophobicContact CD1-CZ 3.91Å; L663-F671 HydrophobicContact CD2-CB 4.34Å; L663-F671 HydrophobicContact CD2-CD2 4.2Å; L663-F671 HydrophobicContact CD2-CG 4.37Å; L663-F671 HydrophobicContact CG-CD2 4.46Å; K667-F671 HydrophobicContact CB-CD2 4.15Å; K667-F671 HydrophobicContact CB-CE2 4.15Å; K667-F671 VanDerWaalsContact O-CD2 3.29Å; K667-F671 WeakPolarHBondContact O-CD2 3.33Å; K667-F671 PolarHBondContact O-N 2.74Å; K667-F671 VanDerWaalsContact O-N 3.14Å; F671-R677 PolarHBondContact O-NH2 3.42Å |
| 672 | S | 72.9 | Confident | 79.5 | Confident | 32 Ų | 32 | 99.4 Ų | 99.4 | 22% | 0.224 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -69.5 | -33.6 | -178.6 | 71.8 | 0 | 0 | 0 | 0 | 113.1 | L668 K669 L674 R677 | L668-S672 WeakPolarHBondContact O-CB 3.4Å; L668-S672 PolarHBondContact O-N 3.08Å; K669-S672 PolarHBondContact O-N 3.28Å; K669-S672 PolarHBondContact O-OG 3.28Å; S672-L674 PolarHBondContact O-N 2.85Å; S672-R677 VanDerWaalsContact O-CD 3.25Å; S672-R677 WeakPolarHBondContact O-CD 3.15Å; S672-R677 PolarHBondContact O-NE 3.1Å; S672-R677 VanDerWaalsContact O-NE 3.15Å |
| 673 | Q | 79.7 | Confident | 80.1 | Confident | 51 Ų | 51 | 89.3 Ų | 89.3 | 24% | 0.238 | 45% | 0.448 | C | S | . | . | trans | 36.3 | 50.8 | 173 | -59.5 | 179.6 | -40.6 | 0 | 0 | 114.1 | D655 I656 T657 D670 G675 A676 R677 | D655-Q673 PolarHBondContact O-NE2 3.36Å; D655-Q673 PolarHBondContact O-OE1 3.44Å; I656-Q673 VanDerWaalsContact CA-OE1 3.25Å; T657-Q673 VanDerWaalsContact N-OE1 3.13Å; D670-Q673 VanDerWaalsContact O-CG 3.23Å; D670-Q673 WeakPolarHBondContact O-CG 3.43Å; Q673-G675 VanDerWaalsContact C-N 3.26Å; Q673-G675 PolarHBondContact O-N 2.92Å; Q673-G675 VanDerWaalsContact O-N 3.14Å; Q673-A676 PolarHBondContact O-N 3.42Å; Q673-R677 PolarHBondContact O-N 3.19Å | ||
| 674 | L | 79.5 | Confident | 80.5 | Confident | 130 Ų | 130 | 87 Ų | 87 | 68% | 0.681 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.8 | -35.7 | -167.8 | -64.1 | 174.4 | 0 | 0 | 0 | 113.7 | S672 Y678 | S672-L674 PolarHBondContact O-N 2.85Å; L674-Y678 VanDerWaalsContact O-CB 3.26Å; L674-Y678 WeakPolarHBondContact O-CB 3.44Å; L674-Y678 PolarHBondContact O-N 3.36Å |
| 675 | G | 84 | Confident | 80.9 | Confident | 55 Ų | 55 | 87.7 Ų | 87.7 | 57% | 0.567 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.9 | -52.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q673 R677 Y678 E679 | Q673-G675 VanDerWaalsContact C-N 3.26Å; Q673-G675 PolarHBondContact O-N 2.92Å; Q673-G675 VanDerWaalsContact O-N 3.14Å; G675-R677 VanDerWaalsContact C-N 3.34Å; G675-R677 PolarHBondContact O-N 3.24Å; G675-Y678 PolarHBondContact O-N 2.85Å; G675-E679 PolarHBondContact O-N 2.88Å |
| 676 | A | 81.3 | Confident | 81.1 | Confident | 21 Ų | 21 | 81.4 Ų | 81.4 | 17% | 0.174 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I656 Q673 E679 V680 | I656-A676 HydrophobicContact CG1-CB 4.17Å; Q673-A676 PolarHBondContact O-N 3.42Å; A676-E679 PolarHBondContact O-N 3.16Å; A676-V680 WeakPolarHBondContact O-CG2 3.31Å; A676-V680 PolarHBondContact O-N 2.9Å |
| 677 | R | 82.6 | Confident | 81.5 | Confident | 107 Ų | 107 | 74.4 Ų | 74.4 | 40% | 0.404 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.9 | -36 | 176.8 | -66.2 | -171 | -172.6 | -152.6 | 3.7 | 113 | F671 S672 Q673 G675 V680 A681 | F671-R677 PolarHBondContact O-NH2 3.42Å; S672-R677 VanDerWaalsContact O-CD 3.25Å; S672-R677 WeakPolarHBondContact O-CD 3.15Å; S672-R677 PolarHBondContact O-NE 3.1Å; S672-R677 VanDerWaalsContact O-NE 3.15Å; Q673-R677 PolarHBondContact O-N 3.19Å; G675-R677 VanDerWaalsContact C-N 3.34Å; G675-R677 PolarHBondContact O-N 3.24Å; R677-V680 PolarHBondContact O-N 3.38Å; R677-A681 PolarHBondContact O-N 3.45Å |
| 678 | Y | 87.3 | Confident | 82 | Confident | 168 Ų | 168 | 71.3 Ų | 71.3 | 66% | 0.659 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65.1 | -41.5 | 173.9 | 176.9 | -101.3 | 0 | 0 | 0 | 111.7 | L674 G675 A681 K682 | L674-Y678 VanDerWaalsContact O-CB 3.26Å; L674-Y678 WeakPolarHBondContact O-CB 3.44Å; L674-Y678 PolarHBondContact O-N 3.36Å; G675-Y678 PolarHBondContact O-N 2.85Å; Y678-A681 PolarHBondContact O-N 2.93Å; Y678-K682 PolarHBondContact O-N 3.28Å |
| 679 | E | 85.6 | Confident | 82.5 | Confident | 92 Ų | 92 | 69.1 Ų | 69.1 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 175.4 | -170.4 | 174 | -176.2 | 0 | 0 | 111.7 | L651 G675 A676 A681 K682 L683 | L651-E679 HydrophobicContact CD1-CB 4.26Å; L651-E679 HydrophobicContact CD1-CG 4.02Å; G675-E679 PolarHBondContact O-N 2.88Å; A676-E679 PolarHBondContact O-N 3.16Å; E679-A681 PolarHBondContact O-N 3.39Å; E679-K682 PolarHBondContact O-N 3.47Å; E679-L683 HydrophobicContact CG-CD1 4.22Å; E679-L683 WeakPolarHBondContact O-CG 3.39Å; E679-L683 PolarHBondContact O-N 2.95Å |
| 680 | V | 84.7 | Confident | 82.9 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.055 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 172.3 | 173.1 | 0 | 0 | 0 | 0 | 111 | I648 L651 I656 A676 R677 K682 L683 T684 Y764 | I648-V680 HydrophobicContact CG2-CG1 4.37Å; L651-V680 HydrophobicContact CB-CG2 4.27Å; L651-V680 HydrophobicContact CD1-CG2 3.91Å; I656-V680 HydrophobicContact CD1-CG2 3.86Å; A676-V680 WeakPolarHBondContact O-CG2 3.31Å; A676-V680 PolarHBondContact O-N 2.9Å; R677-V680 PolarHBondContact O-N 3.38Å; V680-K682 VanDerWaalsContact C-N 3.34Å; V680-K682 PolarHBondContact O-N 3.39Å; V680-L683 PolarHBondContact O-N 3.02Å; V680-T684 WeakPolarHBondContact O-CB 3.39Å; V680-T684 PolarHBondContact O-N 3.02Å; V680-T684 PolarHBondContact O-OG1 2.85Å; V680-Y764 HydrophobicContact CG1-CE1 4.25Å |
| 681 | A | 85.6 | Confident | 83.3 | Confident | 51 Ų | 51 | 56.8 Ų | 56.8 | 42% | 0.421 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R677 Y678 E679 T684 H685 | R677-A681 PolarHBondContact O-N 3.45Å; Y678-A681 PolarHBondContact O-N 2.93Å; E679-A681 PolarHBondContact O-N 3.39Å; A681-T684 PolarHBondContact O-N 3.32Å; A681-H685 PolarHBondContact O-N 3.34Å |
| 682 | K | 88.9 | Confident | 83.7 | Confident | 121 Ų | 121 | 59.9 Ų | 59.9 | 53% | 0.526 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 175.8 | -176.6 | -179.9 | 176.7 | -179.2 | 0 | 111.8 | Y678 E679 V680 T684 H685 D686 | Y678-K682 PolarHBondContact O-N 3.28Å; E679-K682 PolarHBondContact O-N 3.47Å; V680-K682 VanDerWaalsContact C-N 3.34Å; V680-K682 PolarHBondContact O-N 3.39Å; K682-T684 PolarHBondContact O-N 3.35Å; K682-H685 WeakPolarHBondContact O-CB 3.32Å; K682-H685 PolarHBondContact O-N 3.14Å; K682-D686 PolarHBondContact O-N 2.83Å |
| 683 | L | 85.9 | Confident | 84.1 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62 | -34.2 | 178 | -69.4 | 169.8 | 0 | 0 | 0 | 112 | K647 I648 L651 E679 V680 D686 I687 | K647-L683 HydrophobicContact CB-CD1 3.79Å; K647-L683 HydrophobicContact CD-CD1 4.43Å; K647-L683 HydrophobicContact CD-CD2 4.21Å; I648-L683 HydrophobicContact CD1-CB 3.99Å; I648-L683 HydrophobicContact CG1-CB 3.99Å; I648-L683 HydrophobicContact CG1-CD1 3.92Å; L651-L683 HydrophobicContact CD1-CD1 4.33Å; E679-L683 HydrophobicContact CG-CD1 4.22Å; E679-L683 WeakPolarHBondContact O-CG 3.39Å; E679-L683 PolarHBondContact O-N 2.95Å; V680-L683 PolarHBondContact O-N 3.02Å; L683-D686 PolarHBondContact O-N 3.09Å; L683-I687 VanDerWaalsContact O-CG1 3.32Å; L683-I687 WeakPolarHBondContact O-CG1 3.33Å; L683-I687 PolarHBondContact O-N 3.04Å; L683-I687 VanDerWaalsContact O-N 3.09Å |
| 684 | T | 85.1 | Confident | 84.1 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.9 | -40.4 | 176.9 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | V680 A681 K682 D686 I687 S688 Y764 Y768 | V680-T684 WeakPolarHBondContact O-CB 3.39Å; V680-T684 PolarHBondContact O-N 3.02Å; V680-T684 PolarHBondContact O-OG1 2.85Å; A681-T684 PolarHBondContact O-N 3.32Å; K682-T684 PolarHBondContact O-N 3.35Å; T684-D686 VanDerWaalsContact C-N 3.34Å; T684-I687 PolarHBondContact O-N 3.34Å; T684-S688 PolarHBondContact O-N 3.08Å; T684-Y764 HydrophobicContact CG2-CE1 3.81Å; T684-Y764 WeakPolarHBondContact OG1-CE1 3.02Å; T684-Y768 HydrophobicContact CG2-CD1 3.93Å; T684-Y768 HydrophobicContact CG2-CD2 3.63Å; T684-Y768 HydrophobicContact CG2-CE1 3.78Å; T684-Y768 HydrophobicContact CG2-CE2 3.47Å; T684-Y768 VanDerWaalsContact CG2-CE2 3.47Å; T684-Y768 HydrophobicContact CG2-CG 3.86Å |
| 685 | H | 87.3 | Confident | 84.1 | Confident | 111 Ų | 111 | 54 Ų | 54 | 51% | 0.514 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 172.3 | -177.4 | 54.3 | 0 | 0 | 0 | 111.4 | A681 K682 I687 S688 I689 | A681-H685 PolarHBondContact O-N 3.34Å; K682-H685 WeakPolarHBondContact O-CB 3.32Å; K682-H685 PolarHBondContact O-N 3.14Å; H685-I687 VanDerWaalsContact C-N 3.3Å; H685-I687 PolarHBondContact O-N 3.31Å; H685-S688 WeakPolarHBondContact CA-OG 3.13Å; H685-S688 PolarHBondContact O-N 2.89Å; H685-S688 PolarHBondContact O-OG 3.06Å; H685-I689 WeakPolarHBondContact O-CG1 3.46Å; H685-I689 PolarHBondContact O-N 3.38Å |
| 686 | D | 84.2 | Confident | 83.9 | Confident | 54 Ų | 54 | 56 Ų | 56 | 29% | 0.289 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.7 | -43.2 | 175.1 | -64.5 | -20.8 | 0 | 0 | 0 | 111.3 | K682 L683 T684 S688 I689 F690 | K682-D686 PolarHBondContact O-N 2.83Å; L683-D686 PolarHBondContact O-N 3.09Å; T684-D686 VanDerWaalsContact C-N 3.34Å; D686-S688 VanDerWaalsContact C-N 3.33Å; D686-S688 PolarHBondContact O-N 3.34Å; D686-I689 PolarHBondContact O-N 3.01Å; D686-F690 WeakPolarHBondContact O-CD2 3.41Å; D686-F690 PolarHBondContact O-N 3.16Å; D686-F690 VanDerWaalsContact O-N 3.12Å |
| 687 | I | 85.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 174.9 | -68.5 | 166.5 | 0 | 0 | 0 | 111.7 | M641 I648 L683 T684 H685 F690 T691 I765 V769 | M641-I687 HydrophobicContact CG-CG2 4.33Å; M641-I687 HydrophobicContact SD-CG2 4.18Å; I648-I687 HydrophobicContact CD1-CD1 3.93Å; L683-I687 VanDerWaalsContact O-CG1 3.32Å; L683-I687 WeakPolarHBondContact O-CG1 3.33Å; L683-I687 PolarHBondContact O-N 3.04Å; L683-I687 VanDerWaalsContact O-N 3.09Å; T684-I687 PolarHBondContact O-N 3.34Å; H685-I687 VanDerWaalsContact C-N 3.3Å; H685-I687 PolarHBondContact O-N 3.31Å; I687-F690 PolarHBondContact O-N 3.2Å; I687-T691 PolarHBondContact O-N 3.44Å; I687-T691 PolarHBondContact O-OG1 3.36Å; I687-I765 HydrophobicContact CD1-CD1 3.81Å; I687-I765 HydrophobicContact CD1-CG1 4.49Å; I687-I765 HydrophobicContact CG2-CG2 4.32Å; I687-V769 HydrophobicContact CG2-CG2 4.22Å |
| 688 | S | 85.1 | Confident | 83.6 | Confident | 33 Ų | 33 | 57.2 Ų | 57.2 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 176.8 | 71 | 0 | 0 | 0 | 0 | 112.5 | T684 H685 D686 F690 T691 E692 | T684-S688 PolarHBondContact O-N 3.08Å; H685-S688 WeakPolarHBondContact CA-OG 3.13Å; H685-S688 PolarHBondContact O-N 2.89Å; H685-S688 PolarHBondContact O-OG 3.06Å; D686-S688 VanDerWaalsContact C-N 3.33Å; D686-S688 PolarHBondContact O-N 3.34Å; S688-F690 PolarHBondContact O-N 3.37Å; S688-T691 WeakPolarHBondContact O-CB 3.42Å; S688-T691 PolarHBondContact O-N 3.27Å; S688-E692 WeakPolarHBondContact O-CB 3.41Å; S688-E692 PolarHBondContact O-N 3.14Å |
| 689 | I | 86.2 | Confident | 83.4 | Confident | 63 Ų | 63 | 52.7 Ų | 52.7 | 32% | 0.323 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 176.1 | -62.8 | 165.5 | 0 | 0 | 0 | 111 | P583 H685 D686 T691 E692 G693 | P583-I689 HydrophobicContact CB-CG2 4.5Å; P583-I689 HydrophobicContact CG-CG2 4.06Å; H685-I689 WeakPolarHBondContact O-CG1 3.46Å; H685-I689 PolarHBondContact O-N 3.38Å; D686-I689 PolarHBondContact O-N 3.01Å; I689-T691 VanDerWaalsContact C-N 3.32Å; I689-T691 PolarHBondContact O-N 3.16Å; I689-E692 PolarHBondContact O-N 2.88Å; I689-G693 PolarHBondContact O-N 2.99Å |
| 690 | F | 82.7 | Confident | 83.1 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 175.5 | -77.8 | -58.4 | 0 | 0 | 0 | 112.4 | P583 I637 M641 D686 I687 S688 I694 | P583-F690 HydrophobicContact CB-CD1 4.26Å; P583-F690 HydrophobicContact CG-CD1 3.48Å; P583-F690 VanDerWaalsContact CG-CD1 3.48Å; P583-F690 HydrophobicContact CG-CE1 3.62Å; P583-F690 HydrophobicContact CG-CG 4.36Å; I637-F690 HydrophobicContact CG2-CB 3.86Å; I637-F690 HydrophobicContact CG2-CD1 4.25Å; I637-F690 HydrophobicContact CG2-CG 4.36Å; M641-F690 HydrophobicContact CG-CB 4.08Å; M641-F690 HydrophobicContact SD-CB 4.44Å; D686-F690 WeakPolarHBondContact O-CD2 3.41Å; D686-F690 PolarHBondContact O-N 3.16Å; D686-F690 VanDerWaalsContact O-N 3.12Å; I687-F690 PolarHBondContact O-N 3.2Å; S688-F690 PolarHBondContact O-N 3.37Å; F690-I694 PolarHBondContact O-N 2.78Å |
| 691 | T | 82 | Confident | 82.9 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.9 | -48.1 | 176.8 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | I687 S688 I689 G693 I694 L695 L713 V769 | I687-T691 PolarHBondContact O-N 3.44Å; I687-T691 PolarHBondContact O-OG1 3.36Å; S688-T691 WeakPolarHBondContact O-CB 3.42Å; S688-T691 PolarHBondContact O-N 3.27Å; I689-T691 VanDerWaalsContact C-N 3.32Å; I689-T691 PolarHBondContact O-N 3.16Å; T691-G693 VanDerWaalsContact C-N 3.31Å; T691-G693 PolarHBondContact O-N 3.05Å; T691-I694 PolarHBondContact O-N 3.3Å; T691-L695 HydrophobicContact CG2-CD1 3.84Å; T691-L695 HydrophobicContact CG2-CG 4.38Å; T691-L695 WeakPolarHBondContact O-CG 3.32Å; T691-L695 PolarHBondContact O-N 3.11Å; T691-L713 HydrophobicContact CG2-CD2 3.94Å; T691-V769 HydrophobicContact CG2-CB 4.46Å; T691-V769 HydrophobicContact CG2-CG1 4.17Å |
| 692 | E | 82.8 | Confident | 82.4 | Confident | 112 Ų | 112 | 51.6 Ų | 51.6 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 178.7 | -165.7 | -174.4 | 169.2 | 0 | 0 | 111.1 | S688 I689 I694 L695 M696 | S688-E692 WeakPolarHBondContact O-CB 3.41Å; S688-E692 PolarHBondContact O-N 3.14Å; I689-E692 PolarHBondContact O-N 2.88Å; E692-I694 VanDerWaalsContact C-N 3.29Å; E692-I694 PolarHBondContact O-N 2.86Å; E692-L695 CarbonylContact O-C 3.58Å; E692-L695 PolarHBondContact O-N 3.01Å; E692-L695 VanDerWaalsContact O-N 3.09Å; E692-M696 HydrophobicContact CG-CE 3.85Å; E692-M696 WeakPolarHBondContact O-CG 3.43Å; E692-M696 PolarHBondContact O-N 3.44Å; E692-M696 WeakPolarHBondContact OE1-CE 3.23Å |
| 693 | G | 79.6 | Confident | 81.6 | Confident | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.5 | -36.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I689 T691 | I689-G693 PolarHBondContact O-N 2.99Å; T691-G693 VanDerWaalsContact C-N 3.31Å; T691-G693 PolarHBondContact O-N 3.05Å |
| 694 | I | 80.6 | Confident | 81.1 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.7 | -43.2 | 173.7 | -66.9 | 172.4 | 0 | 0 | 0 | 111 | I637 F690 T691 E692 M696 M697 P709 L713 | I637-I694 HydrophobicContact CB-CD1 3.77Å; I637-I694 HydrophobicContact CD1-CD1 3.51Å; I637-I694 HydrophobicContact CD1-CG1 3.37Å; I637-I694 HydrophobicContact CG1-CD1 4.23Å; I637-I694 HydrophobicContact CG2-CD1 3.43Å; I637-I694 VanDerWaalsContact CG2-CD1 3.43Å; I637-I694 HydrophobicContact CG2-CG1 4.19Å; F690-I694 PolarHBondContact O-N 2.78Å; T691-I694 PolarHBondContact O-N 3.3Å; E692-I694 VanDerWaalsContact C-N 3.29Å; E692-I694 PolarHBondContact O-N 2.86Å; I694-M696 PolarHBondContact O-N 2.84Å; I694-M697 WeakPolarHBondContact O-CB 3.31Å; I694-M697 PolarHBondContact O-N 3.36Å; I694-P709 HydrophobicContact CG2-CB 3.77Å; I694-P709 WeakPolarHBondContact O-CB 3.35Å; I694-L713 HydrophobicContact CD1-CB 4.4Å; I694-L713 HydrophobicContact CD1-CD1 3.63Å; I694-L713 HydrophobicContact CD1-CG 4.42Å; I694-L713 HydrophobicContact CG2-CB 4.28Å |
| 695 | L | 80.4 | Confident | 80.8 | Confident | 84 Ų | 84 | 52.9 Ų | 52.9 | 44% | 0.44 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.1 | -22.3 | -178.4 | -67.3 | 176.6 | 0 | 0 | 0 | 113.1 | T691 E692 M697 K710 | T691-L695 HydrophobicContact CG2-CD1 3.84Å; T691-L695 HydrophobicContact CG2-CG 4.38Å; T691-L695 WeakPolarHBondContact O-CG 3.32Å; T691-L695 PolarHBondContact O-N 3.11Å; E692-L695 CarbonylContact O-C 3.58Å; E692-L695 PolarHBondContact O-N 3.01Å; E692-L695 VanDerWaalsContact O-N 3.09Å; L695-M697 PolarHBondContact O-N 3.4Å; L695-K710 HydrophobicContact CD2-CB 4.41Å |
| 696 | M | 78.7 | Confident | 80.5 | Confident | 96 Ų | 96 | 54.3 Ų | 54.3 | 47% | 0.473 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.7 | 169.9 | -75.1 | -170.9 | -174.1 | 0 | 0 | 112.9 | E692 I694 K698 | E692-M696 HydrophobicContact CG-CE 3.85Å; E692-M696 WeakPolarHBondContact O-CG 3.43Å; E692-M696 PolarHBondContact O-N 3.44Å; E692-M696 WeakPolarHBondContact OE1-CE 3.23Å; I694-M696 PolarHBondContact O-N 2.84Å; M696-K698 PolarHBondContact O-N 3.13Å |
| 697 | M | 78.8 | Confident | 80.4 | Confident | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -67.2 | 128.7 | 171.4 | -167.9 | 178.2 | 171.2 | 0 | 0 | 108.5 | V586 R590 I694 L695 T700 P709 | V586-M697 HydrophobicContact CG1-CB 4.24Å; V586-M697 HydrophobicContact CG1-SD 4.25Å; R590-M697 HydrophobicContact CB-CE 4.12Å; R590-M697 HydrophobicContact CB-CG 4.2Å; R590-M697 HydrophobicContact CG-CE 3.98Å; R590-M697 HydrophobicContact CG-CG 4.2Å; I694-M697 WeakPolarHBondContact O-CB 3.31Å; I694-M697 PolarHBondContact O-N 3.36Å; L695-M697 PolarHBondContact O-N 3.4Å; M697-T700 WeakPolarHBondContact CE-OG1 3.26Å; M697-P709 HydrophobicContact CB-CB 4.18Å; M697-P709 HydrophobicContact CB-CG 3.81Å; M697-P709 HydrophobicContact CG-CG 4.05Å; M697-P709 WeakPolarHBondContact O-CG 3.34Å; M697-P709 HydrophobicContact SD-CG 4.41Å |
| 698 | K | 79.3 | Confident | 80.3 | Confident | 147 Ų | 147 | 54.3 Ų | 54.3 | 64% | 0.639 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 154.6 | 171.9 | -54.9 | -176.5 | 178.9 | -179.8 | 0 | 109.5 | M696 T700 | M696-K698 PolarHBondContact O-N 3.13Å; K698-T700 PolarHBondContact O-N 3.23Å |
| 699 | T | 82.8 | Confident | 80.3 | Confident | 72 Ų | 72 | 53 Ų | 53 | 44% | 0.442 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 124.2 | 170.1 | 57.9 | 0 | 0 | 0 | 0 | 109.6 | V707 D708 | T699-V707 WeakPolarHBondContact CA-O 3.48Å; T699-D708 HydrophobicContact CG2-CB 4.45Å |
| 700 | T | 79.2 | Confident | 80.2 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 139.9 | -175.2 | 35.2 | 0 | 0 | 0 | 0 | 111.2 | R590 L594 M697 K698 V707 | R590-T700 HydrophobicContact CG-CG2 3.84Å; L594-T700 HydrophobicContact CD1-CG2 4.29Å; L594-T700 HydrophobicContact CD2-CG2 4.4Å; M697-T700 WeakPolarHBondContact CE-OG1 3.26Å; K698-T700 PolarHBondContact O-N 3.23Å; T700-V707 PolarHBondContact N-O 3.36Å; T700-V707 VanDerWaalsContact N-O 3.07Å; T700-V707 PolarHBondContact O-N 3.18Å |
| 701 | L | 79.6 | Confident | 80.3 | Confident | 120 Ų | 120 | 58.2 Ų | 58.2 | 63% | 0.628 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 114.6 | 169 | -174.6 | 129.6 | 0 | 0 | 0 | 107.6 | G703 | L701-G703 WeakPolarHBondContact CD2-O 3.33Å |
| 702 | V | 75.3 | Confident | 80.4 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 100.9 | 179.7 | 179.2 | 0 | 0 | 0 | 0 | 106.9 | A597 L626 I704 I705 V707 | A597-V702 HydrophobicContact CB-CG1 4.24Å; L626-V702 HydrophobicContact CB-CG1 4.33Å; L626-V702 HydrophobicContact CD2-CG1 3.27Å; L626-V702 HydrophobicContact CG-CG1 3.73Å; V702-I704 PolarHBondContact O-N 3.4Å; V702-I705 PolarHBondContact N-O 3.44Å; V702-I705 PolarHBondContact O-N 2.98Å; V702-I705 VanDerWaalsContact O-N 3.11Å; V702-V707 HydrophobicContact CB-CG2 4.03Å; V702-V707 HydrophobicContact CG2-CB 4.46Å; V702-V707 HydrophobicContact CG2-CG2 3.8Å |
| 703 | G | 73.2 | Confident | 80.5 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 27% | 0.268 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | -114.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S623 L701 | S623-G703 WeakPolarHBondContact OG-CA 3.29Å; L701-G703 WeakPolarHBondContact CD2-O 3.33Å |
| 704 | I | 75.8 | Confident | 80.8 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 42% | 0.415 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -16.2 | 175.4 | -64.6 | 178.3 | 0 | 0 | 0 | 112.2 | S619 S623 V702 | S619-I704 WeakPolarHBondContact OG-CD1 3.38Å; S619-I704 WeakPolarHBondContact OG-CG1 3.37Å; S623-I704 PolarHBondContact OG-N 3.03Å; V702-I704 PolarHBondContact O-N 3.4Å |
| 705 | I | 77.1 | Confident | 81.1 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 30% | 0.303 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 123.8 | -172.1 | -58.5 | 175.4 | 0 | 0 | 0 | 109.5 | V627 V702 V707 | V627-I705 HydrophobicContact CG2-CB 4.19Å; V627-I705 HydrophobicContact CG2-CD1 4.31Å; V627-I705 HydrophobicContact CG2-CG2 4.12Å; V702-I705 PolarHBondContact N-O 3.44Å; V702-I705 PolarHBondContact O-N 2.98Å; V702-I705 VanDerWaalsContact O-N 3.11Å; I705-V707 PolarHBondContact O-N 2.88Å |
| 706 | K | 82.6 | Confident | 81.3 | Confident | 142 Ų | 142 | 53.6 Ų | 53.6 | 62% | 0.617 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 116.1 | 169.8 | -171.6 | 178.3 | 179.1 | -177.9 | 0 | 109.1 | ||
| 707 | V | 81.3 | Confident | 81.7 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.03 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 113.5 | 177.8 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | V627 T699 T700 V702 I705 L712 | V627-V707 HydrophobicContact CG2-CG2 3.73Å; T699-V707 WeakPolarHBondContact CA-O 3.48Å; T700-V707 PolarHBondContact N-O 3.36Å; T700-V707 VanDerWaalsContact N-O 3.07Å; T700-V707 PolarHBondContact O-N 3.18Å; V702-V707 HydrophobicContact CB-CG2 4.03Å; V702-V707 HydrophobicContact CG2-CB 4.46Å; V702-V707 HydrophobicContact CG2-CG2 3.8Å; I705-V707 PolarHBondContact O-N 2.88Å; V707-L712 HydrophobicContact CG1-CD1 3.21Å; V707-L712 HydrophobicContact CG1-CD2 4.18Å; V707-L712 HydrophobicContact CG1-CG 3.78Å |
| 708 | D | 84.4 | Confident | 82.2 | Confident | 50 Ų | 50 | 50.8 Ų | 50.8 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | trans | -96.8 | 115.7 | 172.3 | -175.7 | 2 | 0 | 0 | 0 | 110.3 | T699 K710 Q711 L712 | T699-D708 HydrophobicContact CG2-CB 4.45Å; D708-K710 PolarHBondContact O-N 3.46Å; D708-K710 PolarHBondContact OD1-N 2.94Å; D708-K710 VanDerWaalsContact OD1-N 3.1Å; D708-Q711 HydrophobicContact CB-CB 4.12Å; D708-Q711 HydrophobicContact CB-CG 4.02Å; D708-Q711 PolarHBondContact O-N 3.28Å; D708-L712 WeakPolarHBondContact O-CG 3.3Å; D708-L712 PolarHBondContact O-N 3.36Å | ||
| 709 | P | 83.4 | Confident | 82.5 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.6 | -34.2 | 177.6 | -16.5 | 21.3 | 0 | 0 | 0 | 113.7 | I694 M697 L712 L713 | I694-P709 HydrophobicContact CG2-CB 3.77Å; I694-P709 WeakPolarHBondContact O-CB 3.35Å; M697-P709 HydrophobicContact CB-CB 4.18Å; M697-P709 HydrophobicContact CB-CG 3.81Å; M697-P709 HydrophobicContact CG-CG 4.05Å; M697-P709 WeakPolarHBondContact O-CG 3.34Å; M697-P709 HydrophobicContact SD-CG 4.41Å; P709-L712 PolarHBondContact O-N 3.35Å; P709-L713 WeakPolarHBondContact O-CB 3.34Å; P709-L713 PolarHBondContact O-N 3.49Å |
| 710 | K | 84.4 | Confident | 82.6 | Confident | 87 Ų | 87 | 44 Ų | 44 | 38% | 0.378 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.6 | -45 | 178.9 | -173.2 | 173.1 | -176.9 | 167.5 | 0 | 111 | L695 D708 L713 E714 S770 | L695-K710 HydrophobicContact CD2-CB 4.41Å; D708-K710 PolarHBondContact O-N 3.46Å; D708-K710 PolarHBondContact OD1-N 2.94Å; D708-K710 VanDerWaalsContact OD1-N 3.1Å; K710-L713 PolarHBondContact O-N 3.31Å; K710-E714 PolarHBondContact O-N 3.32Å; K710-S770 VanDerWaalsContact CE-O 3.25Å; K710-S770 WeakPolarHBondContact CE-O 3.43Å; K710-S770 PolarHBondContact NZ-O 2.87Å |
| 711 | Q | 85.2 | Confident | 83 | Confident | 110 Ų | 110 | 43.7 Ų | 43.7 | 51% | 0.514 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66 | -39.7 | 175.3 | -66.4 | -179.2 | -11.4 | 0 | 0 | 111.8 | D708 L713 E714 D715 | D708-Q711 HydrophobicContact CB-CB 4.12Å; D708-Q711 HydrophobicContact CB-CG 4.02Å; D708-Q711 PolarHBondContact O-N 3.28Å; Q711-L713 VanDerWaalsContact C-N 3.32Å; Q711-L713 PolarHBondContact O-N 3.49Å; Q711-E714 PolarHBondContact O-N 3.3Å; Q711-D715 WeakPolarHBondContact O-CB 3.34Å; Q711-D715 VanDerWaalsContact O-CG 3.24Å; Q711-D715 PolarHBondContact O-N 2.9Å |
| 712 | L | 84.3 | Confident | 83.4 | Confident | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -43 | 174.9 | -74.7 | -178.7 | 0 | 0 | 0 | 112.5 | V630 R631 L634 V707 D708 P709 G716 | V630-L712 HydrophobicContact CG1-CD1 4.34Å; R631-L712 HydrophobicContact CG-CD2 3.58Å; L634-L712 HydrophobicContact CD1-CD1 3.94Å; V707-L712 HydrophobicContact CG1-CD1 3.21Å; V707-L712 HydrophobicContact CG1-CD2 4.18Å; V707-L712 HydrophobicContact CG1-CG 3.78Å; D708-L712 WeakPolarHBondContact O-CG 3.3Å; D708-L712 PolarHBondContact O-N 3.36Å; P709-L712 PolarHBondContact O-N 3.35Å; L712-G716 PolarHBondContact O-N 3.43Å |
| 713 | L | 84.8 | Confident | 83.9 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 176.3 | 178.9 | 54.8 | 0 | 0 | 0 | 110.9 | M641 T691 I694 P709 K710 Q711 G716 I717 V769 I771 | M641-L713 HydrophobicContact CE-CD1 3.47Å; M641-L713 VanDerWaalsContact CE-CD1 3.47Å; M641-L713 HydrophobicContact SD-CD1 4.4Å; T691-L713 HydrophobicContact CG2-CD2 3.94Å; I694-L713 HydrophobicContact CD1-CB 4.4Å; I694-L713 HydrophobicContact CD1-CD1 3.63Å; I694-L713 HydrophobicContact CD1-CG 4.42Å; I694-L713 HydrophobicContact CG2-CB 4.28Å; P709-L713 WeakPolarHBondContact O-CB 3.34Å; P709-L713 PolarHBondContact O-N 3.49Å; K710-L713 PolarHBondContact O-N 3.31Å; Q711-L713 VanDerWaalsContact C-N 3.32Å; Q711-L713 PolarHBondContact O-N 3.49Å; L713-G716 PolarHBondContact O-N 3.43Å; L713-I717 HydrophobicContact CD1-CD1 3.92Å; L713-I717 HydrophobicContact CD1-CG1 4.19Å; L713-I717 HydrophobicContact CG-CD1 3.93Å; L713-I717 VanDerWaalsContact O-CG1 3.29Å; L713-I717 WeakPolarHBondContact O-CG1 3.49Å; L713-I717 PolarHBondContact O-N 3.34Å; L713-V769 HydrophobicContact CD2-CG1 3.92Å; L713-V769 HydrophobicContact CG-CG1 4.45Å; L713-I771 HydrophobicContact CD2-CD1 4.26Å; L713-I771 HydrophobicContact CG-CD1 4.08Å |
| 714 | E | 86.1 | Confident | 84.4 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 23% | 0.234 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -50 | 176.9 | -165.9 | 179.4 | 152.6 | 0 | 0 | 111.8 | K710 Q711 G716 I717 R718 I771 I776 | K710-E714 PolarHBondContact O-N 3.32Å; Q711-E714 PolarHBondContact O-N 3.3Å; E714-G716 VanDerWaalsContact C-N 3.3Å; E714-G716 PolarHBondContact O-N 2.87Å; E714-I717 PolarHBondContact O-N 2.93Å; E714-R718 WeakPolarHBondContact O-CB 3.3Å; E714-R718 VanDerWaalsContact O-CG 3.29Å; E714-R718 WeakPolarHBondContact O-CG 3.39Å; E714-R718 PolarHBondContact O-N 3.47Å; E714-R718 IonicContact OE1-CZ 3.99Å; E714-R718 IonicContact OE1-NE 3.14Å; E714-R718 PolarHBondContact OE1-NE 2.97Å; E714-R718 IonicContact OE1-NH2 2.69Å; E714-R718 PolarHBondContact OE1-NH2 2.82Å; E714-I771 HydrophobicContact CB-CD1 4.1Å; E714-I771 HydrophobicContact CG-CD1 4.47Å; E714-I771 HydrophobicContact CG-CG2 4.11Å; E714-I776 HydrophobicContact CG-CD1 3.56Å |
| 715 | D | 85.6 | Confident | 84.9 | Confident | 38 Ų | 38 | 42 Ų | 42 | 20% | 0.203 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 177.2 | -71.2 | -21.7 | 0 | 0 | 0 | 111.9 | R631 Q711 R718 K719 | R631-D715 IonicContact CZ-OD2 3.01Å; R631-D715 VanDerWaalsContact CZ-OD2 3.32Å; R631-D715 IonicContact NH1-OD2 3.21Å; R631-D715 PolarHBondContact NH1-OD2 3.33Å; R631-D715 IonicContact NH2-OD2 3.78Å; R631-D715 PolarHBondContact NH2-OD2 3.36Å; Q711-D715 WeakPolarHBondContact O-CB 3.34Å; Q711-D715 VanDerWaalsContact O-CG 3.24Å; Q711-D715 PolarHBondContact O-N 2.9Å; D715-R718 PolarHBondContact O-N 2.82Å; D715-K719 WeakPolarHBondContact O-CB 3.39Å; D715-K719 PolarHBondContact O-N 2.97Å |
| 716 | G | 85.8 | Confident | 85.3 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q635 P638 L712 L713 E714 K719 E720 | Q635-G716 PolarHBondContact NE2-O 3.07Å; P638-G716 WeakPolarHBondContact CB-O 3.4Å; L712-G716 PolarHBondContact O-N 3.43Å; L713-G716 PolarHBondContact O-N 3.43Å; E714-G716 VanDerWaalsContact C-N 3.3Å; E714-G716 PolarHBondContact O-N 2.87Å; G716-K719 PolarHBondContact O-N 3.3Å; G716-E720 PolarHBondContact O-N 2.83Å |
| 717 | I | 86.8 | Confident | 85.5 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.5 | -47.2 | 173.5 | -70.7 | 166.1 | 0 | 0 | 0 | 110.3 | M641 F642 L713 E714 K719 E720 L721 F762 V769 I771 | M641-I717 HydrophobicContact CE-CD1 3.95Å; M641-I717 HydrophobicContact CE-CG1 3.67Å; F642-I717 HydrophobicContact CE2-CB 4.37Å; F642-I717 HydrophobicContact CE2-CG2 3.99Å; F642-I717 HydrophobicContact CZ-CG2 4.17Å; F642-I717 WeakPolarHBondContact CZ-O 3.21Å; L713-I717 HydrophobicContact CD1-CD1 3.92Å; L713-I717 HydrophobicContact CD1-CG1 4.19Å; L713-I717 HydrophobicContact CG-CD1 3.93Å; L713-I717 VanDerWaalsContact O-CG1 3.29Å; L713-I717 WeakPolarHBondContact O-CG1 3.49Å; L713-I717 PolarHBondContact O-N 3.34Å; E714-I717 PolarHBondContact O-N 2.93Å; I717-K719 VanDerWaalsContact C-N 3.3Å; I717-K719 PolarHBondContact O-N 3.09Å; I717-E720 PolarHBondContact O-N 2.9Å; I717-L721 VanDerWaalsContact O-CB 3.31Å; I717-L721 WeakPolarHBondContact O-CB 3.48Å; I717-L721 PolarHBondContact O-N 3.03Å; I717-F762 HydrophobicContact CG2-CE1 3.79Å; I717-F762 HydrophobicContact CG2-CZ 4.32Å; I717-V769 HydrophobicContact CD1-CG1 3.84Å; I717-I771 HydrophobicContact CD1-CD1 3.95Å |
| 718 | R | 88.5 | Confident | 85.6 | Confident | 33 Ų | 33 | 39.2 Ų | 39.2 | 13% | 0.125 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56 | -44.7 | 175.2 | -72.5 | 169.6 | -179.3 | -111 | 6.1 | 111 | E714 D715 L721 V722 I776 E779 E780 I813 | E714-R718 WeakPolarHBondContact O-CB 3.3Å; E714-R718 VanDerWaalsContact O-CG 3.29Å; E714-R718 WeakPolarHBondContact O-CG 3.39Å; E714-R718 PolarHBondContact O-N 3.47Å; E714-R718 IonicContact OE1-CZ 3.99Å; E714-R718 IonicContact OE1-NE 3.14Å; E714-R718 PolarHBondContact OE1-NE 2.97Å; E714-R718 IonicContact OE1-NH2 2.69Å; E714-R718 PolarHBondContact OE1-NH2 2.82Å; D715-R718 PolarHBondContact O-N 2.82Å; R718-L721 WeakPolarHBondContact O-CB 3.48Å; R718-L721 PolarHBondContact O-N 3.41Å; R718-V722 WeakPolarHBondContact O-CB 3.32Å; R718-V722 VanDerWaalsContact O-CG2 3.28Å; R718-V722 WeakPolarHBondContact O-CG2 3.18Å; R718-V722 PolarHBondContact O-N 3.34Å; R718-I776 HydrophobicContact CG-CG2 3.62Å; R718-E779 IonicContact CZ-OE2 3.6Å; R718-E779 IonicContact NH1-OE2 3.54Å; R718-E779 PolarHBondContact NH1-OE2 3.39Å; R718-E779 IonicContact NH2-OE2 3.88Å; R718-E779 PolarHBondContact NH2-OE2 3.23Å; R718-E780 HydrophobicContact CB-CG 4.17Å; R718-E780 WeakPolarHBondContact CD-OE1 3.37Å; R718-E780 HydrophobicContact CG-CG 4.02Å; R718-E780 IonicContact CZ-OE1 3.45Å; R718-E780 IonicContact NE-OE1 3.96Å; R718-E780 IonicContact NH1-OE1 2.69Å; R718-E780 PolarHBondContact NH1-OE1 2.91Å; R718-I813 HydrophobicContact CB-CD1 3.67Å; R718-I813 HydrophobicContact CB-CG1 4.41Å; R718-I813 HydrophobicContact CB-CG2 4.44Å; R718-I813 HydrophobicContact CG-CD1 4.35Å |
| 719 | K | 86.8 | Confident | 85.6 | Confident | 71 Ų | 71 | 37 Ų | 37 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.8 | -45.5 | 179.3 | -175 | 173 | 176 | 178.2 | 0 | 113.8 | D715 G716 I717 K723 I813 | D715-K719 WeakPolarHBondContact O-CB 3.39Å; D715-K719 PolarHBondContact O-N 2.97Å; G716-K719 PolarHBondContact O-N 3.3Å; I717-K719 VanDerWaalsContact C-N 3.3Å; I717-K719 PolarHBondContact O-N 3.09Å; K719-K723 WeakPolarHBondContact O-CB 3.45Å; K719-K723 PolarHBondContact O-N 2.91Å; K719-K723 VanDerWaalsContact O-N 3.08Å; K719-I813 HydrophobicContact CB-CG2 4.35Å |
| 720 | E | 85.6 | Confident | 85.6 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.3 | -38.9 | 174.4 | -77.7 | -49.9 | 125.1 | 0 | 0 | 111.9 | Q635 P638 E639 F642 G716 I717 K723 R724 | Q635-E720 PolarHBondContact NE2-OE1 3.33Å; P638-E720 HydrophobicContact CB-CG 3.91Å; E639-E720 HydrophobicContact CB-CG 4.47Å; F642-E720 HydrophobicContact CD1-CB 4.25Å; F642-E720 HydrophobicContact CD2-CB 3.69Å; F642-E720 HydrophobicContact CD2-CG 4.34Å; F642-E720 HydrophobicContact CE1-CB 4.25Å; F642-E720 HydrophobicContact CE2-CB 3.68Å; F642-E720 HydrophobicContact CG-CB 3.94Å; F642-E720 HydrophobicContact CZ-CB 3.92Å; G716-E720 PolarHBondContact O-N 2.83Å; I717-E720 PolarHBondContact O-N 2.9Å; E720-K723 PolarHBondContact O-N 3.19Å; E720-R724 WeakPolarHBondContact O-CB 3.26Å; E720-R724 WeakPolarHBondContact O-CG 3.26Å; E720-R724 PolarHBondContact O-N 3.24Å |
| 721 | L | 86.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.5 | -54.1 | 175.3 | 175.7 | 65.6 | 0 | 0 | 0 | 110.5 | F642 I717 R718 K723 R724 V725 F762 I776 W777 E780 | F642-L721 HydrophobicContact CE1-CB 4.15Å; F642-L721 HydrophobicContact CZ-CB 3.86Å; I717-L721 VanDerWaalsContact O-CB 3.31Å; I717-L721 WeakPolarHBondContact O-CB 3.48Å; I717-L721 PolarHBondContact O-N 3.03Å; R718-L721 WeakPolarHBondContact O-CB 3.48Å; R718-L721 PolarHBondContact O-N 3.41Å; L721-K723 VanDerWaalsContact C-N 3.3Å; L721-K723 PolarHBondContact O-N 2.72Å; L721-R724 PolarHBondContact O-N 3.34Å; L721-V725 HydrophobicContact CD1-CG2 3.61Å; L721-V725 HydrophobicContact CG-CG2 4.24Å; L721-V725 WeakPolarHBondContact O-CB 3.39Å; L721-V725 WeakPolarHBondContact O-CG2 3.46Å; L721-V725 PolarHBondContact O-N 2.87Å; L721-F762 HydrophobicContact CB-CZ 4.23Å; L721-F762 HydrophobicContact CD1-CD2 4.49Å; L721-F762 HydrophobicContact CD1-CE2 3.53Å; L721-F762 HydrophobicContact CD1-CZ 3.7Å; L721-F762 HydrophobicContact CD2-CZ 4.21Å; L721-F762 HydrophobicContact CG-CZ 4.26Å; L721-I776 HydrophobicContact CD2-CG2 4.04Å; L721-W777 HydrophobicContact CD1-CE3 3.71Å; L721-W777 HydrophobicContact CD1-CZ3 3.69Å; L721-W777 HydrophobicContact CD2-CE3 4.31Å; L721-E780 HydrophobicContact CD2-CB 3.99Å; L721-E780 HydrophobicContact CD2-CG 4.27Å |
| 722 | V | 87.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.1 | -45.8 | 179.2 | 167.6 | 0 | 0 | 0 | 0 | 111 | R718 A726 E780 I784 I813 I815 | R718-V722 WeakPolarHBondContact O-CB 3.32Å; R718-V722 VanDerWaalsContact O-CG2 3.28Å; R718-V722 WeakPolarHBondContact O-CG2 3.18Å; R718-V722 PolarHBondContact O-N 3.34Å; V722-A726 WeakPolarHBondContact O-CB 3.46Å; V722-A726 PolarHBondContact O-N 3.38Å; V722-E780 HydrophobicContact CG2-CB 3.96Å; V722-E780 HydrophobicContact CG2-CG 4.23Å; V722-E780 WeakPolarHBondContact CG2-OE2 3.41Å; V722-I784 HydrophobicContact CB-CD1 4.24Å; V722-I784 HydrophobicContact CB-CG1 4.47Å; V722-I784 HydrophobicContact CG1-CD1 4.28Å; V722-I784 HydrophobicContact CG1-CG1 4.06Å; V722-I784 HydrophobicContact CG2-CD1 4.06Å; V722-I784 HydrophobicContact CG2-CG1 4.18Å; V722-I813 HydrophobicContact CB-CG2 4.36Å; V722-I813 HydrophobicContact CG2-CG2 3.94Å; V722-I815 HydrophobicContact CG1-CB 4.3Å; V722-I815 HydrophobicContact CG1-CG1 3.87Å; V722-I815 HydrophobicContact CG1-CG2 4.48Å |
| 723 | K | 86.2 | Confident | 85 | Confident | 109 Ų | 109 | 35.7 Ų | 35.7 | 47% | 0.474 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 179.3 | -174 | -179.4 | 176.9 | -173 | 0 | 112.4 | K719 E720 L721 Y727 | K719-K723 WeakPolarHBondContact O-CB 3.45Å; K719-K723 PolarHBondContact O-N 2.91Å; K719-K723 VanDerWaalsContact O-N 3.08Å; E720-K723 PolarHBondContact O-N 3.19Å; L721-K723 VanDerWaalsContact C-N 3.3Å; L721-K723 PolarHBondContact O-N 2.72Å; K723-Y727 VanDerWaalsContact O-CB 3.23Å; K723-Y727 WeakPolarHBondContact O-CB 3.28Å; K723-Y727 PolarHBondContact O-N 3Å |
| 724 | R | 84.8 | Confident | 84.7 | Confident | 86 Ų | 86 | 38 Ų | 38 | 33% | 0.325 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -71.5 | -44.7 | -177.5 | -66.4 | -71.4 | 178.3 | 143.7 | 1.2 | 111.9 | F642 E720 L721 Y727 A728 F758 | F642-R724 HydrophobicContact CD1-CG 4.28Å; E720-R724 WeakPolarHBondContact O-CB 3.26Å; E720-R724 WeakPolarHBondContact O-CG 3.26Å; E720-R724 PolarHBondContact O-N 3.24Å; L721-R724 PolarHBondContact O-N 3.34Å; R724-Y727 PolarHBondContact O-N 3.26Å; R724-A728 WeakPolarHBondContact O-CB 3.44Å; R724-A728 PolarHBondContact O-N 2.91Å; R724-F758 HydrophobicContact CB-CZ 4.44Å |
| 725 | V | 86 | Confident | 84.3 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.2 | -47.9 | 177.4 | 172 | 0 | 0 | 0 | 0 | 110.6 | L721 Y727 A728 L729 M755 W777 I784 | L721-V725 HydrophobicContact CD1-CG2 3.61Å; L721-V725 HydrophobicContact CG-CG2 4.24Å; L721-V725 WeakPolarHBondContact O-CB 3.39Å; L721-V725 WeakPolarHBondContact O-CG2 3.46Å; L721-V725 PolarHBondContact O-N 2.87Å; V725-Y727 VanDerWaalsContact C-N 3.3Å; V725-Y727 PolarHBondContact O-N 3.13Å; V725-A728 PolarHBondContact O-N 2.76Å; V725-L729 HydrophobicContact CG1-CD1 3.88Å; V725-L729 HydrophobicContact CG1-CG 4.42Å; V725-L729 WeakPolarHBondContact O-CB 3.29Å; V725-L729 WeakPolarHBondContact O-CG 3.49Å; V725-L729 PolarHBondContact O-N 3.11Å; V725-M755 HydrophobicContact CG1-CE 4.11Å; V725-M755 HydrophobicContact CG1-SD 4.28Å; V725-W777 HydrophobicContact CG2-CH2 4.27Å; V725-W777 HydrophobicContact CG2-CZ3 3.88Å; V725-I784 HydrophobicContact CB-CD1 3.94Å; V725-I784 HydrophobicContact CG1-CD1 3.76Å |
| 726 | A | 85.2 | Confident | 83.4 | Confident | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V722 H730 I784 P816 F818 | V722-A726 WeakPolarHBondContact O-CB 3.46Å; V722-A726 PolarHBondContact O-N 3.38Å; A726-H730 VanDerWaalsContact O-CB 3.28Å; A726-H730 WeakPolarHBondContact O-CB 3.29Å; A726-H730 PolarHBondContact O-N 2.88Å; A726-I784 HydrophobicContact CB-CG2 4.42Å; A726-P816 HydrophobicContact CB-CG 3.81Å; A726-F818 HydrophobicContact CB-CE2 4.03Å; A726-F818 HydrophobicContact CB-CZ 4.41Å; A726-F818 WeakPolarHBondContact O-CE2 3.3Å |
| 727 | Y | 86.1 | Confident | 82.3 | Confident | 127 Ų | 127 | 41.7 Ų | 41.7 | 50% | 0.498 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67 | -42.1 | 174.6 | -178.9 | -101.8 | 0 | 0 | 0 | 112.7 | K723 R724 V725 H730 K731 F818 | K723-Y727 VanDerWaalsContact O-CB 3.23Å; K723-Y727 WeakPolarHBondContact O-CB 3.28Å; K723-Y727 PolarHBondContact O-N 3Å; R724-Y727 PolarHBondContact O-N 3.26Å; V725-Y727 VanDerWaalsContact C-N 3.3Å; V725-Y727 PolarHBondContact O-N 3.13Å; Y727-H730 PolarHBondContact O-N 3.34Å; Y727-K731 HydrophobicContact CE1-CD 4.3Å; Y727-K731 WeakPolarHBondContact O-CB 3.47Å; Y727-K731 PolarHBondContact O-N 2.88Å; Y727-F818 HydrophobicContact CD2-CE1 4.04Å; Y727-F818 HydrophobicContact CD2-CZ 4.34Å |
| 728 | A | 83.6 | Confident | 80.8 | Confident | 17 Ų | 17 | 50 Ų | 50 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.2 | -49.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R724 V725 H730 K731 G732 M751 M755 | R724-A728 WeakPolarHBondContact O-CB 3.44Å; R724-A728 PolarHBondContact O-N 2.91Å; V725-A728 PolarHBondContact O-N 2.76Å; A728-H730 PolarHBondContact O-N 2.89Å; A728-K731 PolarHBondContact O-N 3.26Å; A728-G732 PolarHBondContact O-N 3.09Å; A728-M751 HydrophobicContact CB-SD 4.33Å; A728-M751 WeakPolarHBondContact O-CE 3.39Å; A728-M755 HydrophobicContact CB-CE 4.26Å |
| 729 | L | 84.4 | Confident | 79.3 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 176.1 | -69.6 | 171 | 0 | 0 | 0 | 112.2 | V725 K731 L733 M751 M755 I784 F827 L875 | V725-L729 HydrophobicContact CG1-CD1 3.88Å; V725-L729 HydrophobicContact CG1-CG 4.42Å; V725-L729 WeakPolarHBondContact O-CB 3.29Å; V725-L729 WeakPolarHBondContact O-CG 3.49Å; V725-L729 PolarHBondContact O-N 3.11Å; L729-K731 PolarHBondContact O-N 2.9Å; L729-L733 HydrophobicContact CD2-CD1 4.21Å; L729-L733 WeakPolarHBondContact O-CB 3.46Å; L729-L733 PolarHBondContact O-N 3.38Å; L729-L733 VanDerWaalsContact O-N 3.13Å; L729-M751 HydrophobicContact CD2-CG 4.42Å; L729-M751 HydrophobicContact CD2-SD 4.39Å; L729-M755 HydrophobicContact CD1-CE 4.39Å; L729-M755 HydrophobicContact CD2-CE 3.58Å; L729-M755 HydrophobicContact CG-CE 3.65Å; L729-I784 HydrophobicContact CD1-CG2 4.21Å; L729-F827 HydrophobicContact CB-CD1 4.03Å; L729-F827 HydrophobicContact CB-CD2 4.39Å; L729-F827 HydrophobicContact CB-CE1 4.04Å; L729-F827 HydrophobicContact CB-CE2 4.39Å; L729-F827 HydrophobicContact CB-CG 4.21Å; L729-F827 HydrophobicContact CB-CZ 4.24Å; L729-F827 HydrophobicContact CD1-CE1 3.94Å; L729-F827 HydrophobicContact CD1-CE2 4.25Å; L729-F827 HydrophobicContact CD1-CZ 3.67Å; L729-F827 HydrophobicContact CD2-CE2 4.34Å; L729-F827 HydrophobicContact CG-CZ 4.38Å; L729-L875 HydrophobicContact CD2-CD2 3.45Å; L729-L875 VanDerWaalsContact CD2-CD2 3.45Å |
| 730 | H | 83.4 | Confident | 77.8 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 15% | 0.153 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.7 | -42 | 178.7 | -179.2 | 78 | 0 | 0 | 0 | 112.1 | A726 Y727 A728 T734 F818 R830 | A726-H730 VanDerWaalsContact O-CB 3.28Å; A726-H730 WeakPolarHBondContact O-CB 3.29Å; A726-H730 PolarHBondContact O-N 2.88Å; Y727-H730 PolarHBondContact O-N 3.34Å; A728-H730 PolarHBondContact O-N 2.89Å; H730-T734 WeakPolarHBondContact O-CG2 3.4Å; H730-F818 HydrophobicContact CB-CD2 3.6Å; H730-F818 HydrophobicContact CB-CE2 3.72Å; H730-F818 HydrophobicContact CB-CG 4.1Å; H730-F818 HydrophobicContact CB-CZ 4.33Å; H730-F818 AromaticContact CD2-CG 3.88Å; H730-F818 VanDerWaalsContact CE1-CB 3.43Å; H730-F818 WeakPolarHBondContact CE1-CB 3.28Å; H730-F818 AromaticContact CG-CD2 3.6Å; H730-F818 AromaticContact CG-CG 3.64Å; H730-F818 AromaticContact ND1-CD2 3.79Å; H730-F818 AromaticContact ND1-CG 3.78Å; H730-R830 PolarHBondContact O-NH2 3.32Å |
| 731 | K | 82.6 | Confident | 76.7 | Confident | 134 Ų | 134 | 60.7 Ų | 60.7 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -75.9 | -46 | -179 | -172.8 | -178 | 176.7 | -172.7 | 0 | 112.4 | Y727 A728 L729 T734 | Y727-K731 HydrophobicContact CE1-CD 4.3Å; Y727-K731 WeakPolarHBondContact O-CB 3.47Å; Y727-K731 PolarHBondContact O-N 2.88Å; A728-K731 PolarHBondContact O-N 3.26Å; L729-K731 PolarHBondContact O-N 2.9Å; K731-T734 PolarHBondContact O-OG1 3.48Å |
| 732 | G | 78.6 | Confident | 75.7 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 22% | 0.216 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -76.5 | -26.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A728 T734 M751 | A728-G732 PolarHBondContact O-N 3.09Å; G732-T734 VanDerWaalsContact C-N 3.31Å; G732-T734 PolarHBondContact O-N 2.76Å; G732-M751 VanDerWaalsContact CA-CE 3.43Å |
| 733 | L | 80.3 | Confident | 75.2 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 45.7 | 174.8 | -58.6 | 173.7 | 0 | 0 | 0 | 111.8 | L729 F735 L748 F827 R830 L875 | L729-L733 HydrophobicContact CD2-CD1 4.21Å; L729-L733 WeakPolarHBondContact O-CB 3.46Å; L729-L733 PolarHBondContact O-N 3.38Å; L729-L733 VanDerWaalsContact O-N 3.13Å; L733-F735 HydrophobicContact CB-CE2 4.35Å; L733-F735 HydrophobicContact CB-CZ 4.46Å; L733-F735 HydrophobicContact CD2-CZ 4.06Å; L733-L748 HydrophobicContact CD2-CD2 4.08Å; L733-F827 HydrophobicContact CB-CB 4.27Å; L733-F827 HydrophobicContact CD1-CB 4.4Å; L733-F827 HydrophobicContact CD1-CD2 3.46Å; L733-F827 VanDerWaalsContact CD1-CD2 3.46Å; L733-F827 HydrophobicContact CD1-CE2 4.11Å; L733-F827 HydrophobicContact CD1-CG 4.27Å; L733-R830 PolarHBondContact O-NE 3.16Å; L733-R830 PolarHBondContact O-NH2 3.48Å; L733-R830 VanDerWaalsContact O-NH2 3.08Å; L733-L875 HydrophobicContact CD1-CD2 4.45Å |
| 734 | T | 78.8 | Confident | 74.8 | Confident | 50 Ų | 50 | 61 Ų | 61 | 31% | 0.307 | 31% | 0.314 | S | S | . | . | trans | -99.6 | 129.8 | 166.5 | 47 | 0 | 0 | 0 | 0 | 108.9 | H730 K731 G732 K747 R830 | H730-T734 WeakPolarHBondContact O-CG2 3.4Å; K731-T734 PolarHBondContact O-OG1 3.48Å; G732-T734 VanDerWaalsContact C-N 3.31Å; G732-T734 PolarHBondContact O-N 2.76Å; T734-K747 PolarHBondContact O-NZ 2.98Å; T734-R830 VanDerWaalsContact CG2-NH1 3.28Å | ||
| 735 | F | 77.3 | Confident | 74.6 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 8% | 0.075 | 31% | 0.312 | C | S | . | . | trans | -119.6 | 137.6 | -178.7 | -56.8 | -71.5 | 0 | 0 | 0 | 110 | L733 L744 K747 R830 L831 E834 | L733-F735 HydrophobicContact CB-CE2 4.35Å; L733-F735 HydrophobicContact CB-CZ 4.46Å; L733-F735 HydrophobicContact CD2-CZ 4.06Å; F735-L744 HydrophobicContact CE1-CB 4.49Å; F735-L744 HydrophobicContact CE1-CD1 3.73Å; F735-L744 HydrophobicContact CZ-CD1 3.55Å; F735-K747 HydrophobicContact CD1-CD 4.21Å; F735-K747 HydrophobicContact CE1-CD 4.09Å; F735-R830 HydrophobicContact CD2-CB 4.37Å; F735-L831 HydrophobicContact CZ-CD1 4.31Å; F735-E834 HydrophobicContact CB-CG 4.2Å; F735-E834 HydrophobicContact CD1-CG 3.98Å; F735-E834 HydrophobicContact CD2-CB 3.8Å; F735-E834 HydrophobicContact CD2-CG 4.01Å; F735-E834 HydrophobicContact CE1-CG 4.39Å; F735-E834 HydrophobicContact CE2-CB 4.13Å; F735-E834 HydrophobicContact CE2-CG 4.41Å; F735-E834 HydrophobicContact CG-CB 4.09Å; F735-E834 HydrophobicContact CG-CG 3.78Å | ||
| 736 | S | 67.9 | Low | 74.5 | Confident | 51 Ų | 51 | 63 Ų | 63 | 36% | 0.357 | 33% | 0.334 | S | S | . | . | trans | -83.5 | 125.6 | 174 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | K738 A739 R837 | S736-K738 PolarHBondContact O-N 3.48Å; S736-K738 PolarHBondContact OG-N 3.24Å; S736-A739 PolarHBondContact O-N 3.33Å; S736-R837 PolarHBondContact O-NH1 2.97Å | ||
| 737 | P | 61.6 | Low | 74.4 | Confident | 102 Ų | 102 | 65.5 Ų | 65.5 | 66% | 0.662 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -9.9 | 176.4 | 26.9 | -33.1 | 0 | 0 | 0 | 113.1 | ||
| 738 | K | 55.4 | Low | 74.3 | Confident | 189 Ų | 189 | 59.5 Ų | 59.5 | 82% | 0.822 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -2.9 | -177 | -64 | -176.4 | -178.8 | 178.2 | 0 | 114.3 | S736 | S736-K738 PolarHBondContact O-N 3.48Å; S736-K738 PolarHBondContact OG-N 3.24Å |
| 739 | A | 56.8 | Low | 74.3 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 20% | 0.198 | 34% | 0.336 | C | S | . | . | trans | -72.6 | 129.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111 | S736 E743 | S736-A739 PolarHBondContact O-N 3.33Å; A739-E743 HydrophobicContact CB-CG 4.19Å | ||
| 740 | K | 54.8 | Low | 74.3 | Confident | 210 Ų | 210 | 69 Ų | 69 | 91% | 0.913 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -75.9 | -43.7 | 178.5 | -71.4 | -176.8 | -179.9 | 179.6 | 0 | 113.3 | ||
| 741 | P | 63.3 | Low | 74.4 | Confident | 98 Ų | 98 | 68 Ų | 68 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -86.5 | 151 | 166.7 | 32.5 | -31.7 | 0 | 0 | 0 | 111.6 | E743 | P741-E743 PolarHBondContact O-N 2.96Š|
| 742 | S | 66.1 | Low | 74.4 | Confident | 51 Ų | 51 | 62.3 Ų | 62.3 | 36% | 0.357 | 34% | 0.337 | S | S | . | . | trans | -65.9 | 120.5 | 174.3 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | L744 I838 | S742-L744 VanDerWaalsContact C-N 3.27Å; S742-L744 WeakPolarHBondContact OG-CB 3.46Å; S742-L744 PolarHBondContact OG-N 3.34Å; S742-I838 WeakPolarHBondContact OG-CD1 3.37Å | ||
| 743 | E | 75.8 | Confident | 74.7 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 29% | 0.29 | 35% | 0.345 | S | S | . | . | trans | -84.5 | -1.1 | 173.6 | -63.2 | 179.2 | 175.4 | 0 | 0 | 112.5 | A739 P741 P746 K747 | A739-E743 HydrophobicContact CB-CG 4.19Å; P741-E743 PolarHBondContact O-N 2.96Å; E743-P746 WeakPolarHBondContact O-CD 3.3Å; E743-P746 WeakPolarHBondContact O-CG 3.31Å; E743-K747 HydrophobicContact CB-CD 4.17Å; E743-K747 WeakPolarHBondContact O-CB 3.06Å; E743-K747 WeakPolarHBondContact O-CG 3.32Å; E743-K747 PolarHBondContact O-N 2.86Å; E743-K747 IonicContact OE2-NZ 3.43Å; E743-K747 PolarHBondContact OE2-NZ 3.44Å | ||
| 744 | L | 78.1 | Confident | 74.8 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.8 | -53.5 | -169.3 | -179.3 | 61.2 | 0 | 0 | 0 | 112.6 | F735 S742 K747 L748 L831 I835 I838 L867 | F735-L744 HydrophobicContact CE1-CB 4.49Å; F735-L744 HydrophobicContact CE1-CD1 3.73Å; F735-L744 HydrophobicContact CZ-CD1 3.55Å; S742-L744 VanDerWaalsContact C-N 3.27Å; S742-L744 WeakPolarHBondContact OG-CB 3.46Å; S742-L744 PolarHBondContact OG-N 3.34Å; L744-K747 PolarHBondContact O-N 3.23Å; L744-L748 HydrophobicContact CD1-CD1 3.87Å; L744-L748 HydrophobicContact CD1-CG 4.08Å; L744-L748 HydrophobicContact CG-CD1 3.87Å; L744-L748 HydrophobicContact CG-CG 4.45Å; L744-L748 WeakPolarHBondContact O-CB 3.35Å; L744-L748 VanDerWaalsContact O-CG 3.29Å; L744-L748 WeakPolarHBondContact O-CG 3.21Å; L744-L748 PolarHBondContact O-N 3.41Å; L744-L831 HydrophobicContact CD1-CD1 3.56Å; L744-I835 HydrophobicContact CD2-CG1 4.02Å; L744-I838 HydrophobicContact CB-CD1 3.91Å; L744-I838 HydrophobicContact CD2-CD1 3.72Å; L744-I838 HydrophobicContact CG-CD1 4.46Å; L744-L867 HydrophobicContact CD2-CD1 3.72Å; L744-L867 HydrophobicContact CD2-CD2 4.24Å; L744-L867 HydrophobicContact CG-CD1 4.12Å |
| 745 | M | 81.4 | Confident | 75 | Confident | 60 Ų | 60 | 64 Ų | 64 | 30% | 0.296 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | -175.8 | -164 | 64.1 | 79.4 | 0 | 0 | 114.2 | K747 L748 K749 L867 E870 | M745-K747 PolarHBondContact O-N 2.89Å; M745-L748 PolarHBondContact O-N 2.87Å; M745-K749 WeakPolarHBondContact O-CG 3.48Å; M745-K749 PolarHBondContact O-N 2.92Å; M745-K749 VanDerWaalsContact O-N 3.09Å; M745-L867 HydrophobicContact CE-CB 4.17Å; M745-L867 HydrophobicContact CE-CD1 4.01Å; M745-E870 HydrophobicContact SD-CB 4.24Å; M745-E870 HydrophobicContact SD-CG 3.95Å |
| 746 | P | 83.5 | Confident | 75.3 | Confident | 70 Ų | 70 | 66.3 Ų | 66.3 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 177.2 | 23.3 | -32 | 0 | 0 | 0 | 112 | E743 L748 K749 D750 | E743-P746 WeakPolarHBondContact O-CD 3.3Å; E743-P746 WeakPolarHBondContact O-CG 3.31Å; P746-L748 PolarHBondContact O-N 3.43Å; P746-K749 PolarHBondContact O-N 2.91Å; P746-D750 PolarHBondContact O-N 3.47Å |
| 747 | K | 82.7 | Confident | 76 | Confident | 54 Ų | 54 | 64 Ų | 64 | 24% | 0.235 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 177.1 | -76 | 179.5 | 169.5 | 170.5 | 0 | 113.1 | T734 F735 E743 L744 M745 M751 | T734-K747 PolarHBondContact O-NZ 2.98Å; F735-K747 HydrophobicContact CD1-CD 4.21Å; F735-K747 HydrophobicContact CE1-CD 4.09Å; E743-K747 HydrophobicContact CB-CD 4.17Å; E743-K747 WeakPolarHBondContact O-CB 3.06Å; E743-K747 WeakPolarHBondContact O-CG 3.32Å; E743-K747 PolarHBondContact O-N 2.86Å; E743-K747 IonicContact OE2-NZ 3.43Å; E743-K747 PolarHBondContact OE2-NZ 3.44Å; L744-K747 PolarHBondContact O-N 3.23Å; M745-K747 PolarHBondContact O-N 2.89Å; K747-M751 WeakPolarHBondContact O-CB 3.41Å; K747-M751 PolarHBondContact O-N 2.9Å |
| 748 | L | 83.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | 173.7 | -74.6 | 173.3 | 0 | 0 | 0 | 111.2 | L733 L744 M745 P746 D750 M751 A752 L831 L867 I871 T874 | L733-L748 HydrophobicContact CD2-CD2 4.08Å; L744-L748 HydrophobicContact CD1-CD1 3.87Å; L744-L748 HydrophobicContact CD1-CG 4.08Å; L744-L748 HydrophobicContact CG-CD1 3.87Å; L744-L748 HydrophobicContact CG-CG 4.45Å; L744-L748 WeakPolarHBondContact O-CB 3.35Å; L744-L748 VanDerWaalsContact O-CG 3.29Å; L744-L748 WeakPolarHBondContact O-CG 3.21Å; L744-L748 PolarHBondContact O-N 3.41Å; M745-L748 PolarHBondContact O-N 2.87Å; P746-L748 PolarHBondContact O-N 3.43Å; L748-D750 PolarHBondContact O-N 2.91Å; L748-M751 PolarHBondContact O-N 3.39Å; L748-A752 WeakPolarHBondContact O-CB 3.31Å; L748-A752 PolarHBondContact O-N 3.22Å; L748-L831 HydrophobicContact CD2-CD1 4.48Å; L748-L867 HydrophobicContact CD1-CD1 3.68Å; L748-I871 HydrophobicContact CD1-CG1 3.8Å; L748-I871 HydrophobicContact CD2-CG1 4.3Å; L748-T874 HydrophobicContact CD2-CG2 4.3Å; L748-T874 PolarHBondContact O-OG1 3Å |
| 749 | K | 84.7 | Confident | 78.5 | Confident | 108 Ų | 108 | 55.9 Ų | 55.9 | 47% | 0.47 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 177.7 | -72.5 | -175.1 | 176.1 | -168.8 | 0 | 113.2 | M745 P746 M751 A752 A753 E870 | M745-K749 WeakPolarHBondContact O-CG 3.48Å; M745-K749 PolarHBondContact O-N 2.92Å; M745-K749 VanDerWaalsContact O-N 3.09Å; P746-K749 PolarHBondContact O-N 2.91Å; K749-M751 VanDerWaalsContact C-N 3.28Å; K749-M751 PolarHBondContact O-N 3.03Å; K749-A752 PolarHBondContact O-N 2.72Å; K749-A753 PolarHBondContact O-N 2.89Å; K749-E870 VanDerWaalsContact CE-OE1 3.26Å; K749-E870 WeakPolarHBondContact CE-OE1 3.42Å |
| 750 | D | 83.8 | Confident | 79.8 | Confident | 114 Ų | 114 | 59.1 Ų | 59.1 | 61% | 0.61 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.9 | -38.2 | 176.2 | -69.3 | -14.7 | 0 | 0 | 0 | 111.3 | P746 L748 T754 | P746-D750 PolarHBondContact O-N 3.47Å; L748-D750 PolarHBondContact O-N 2.91Å; D750-T754 PolarHBondContact O-N 3.47Å; D750-T754 VanDerWaalsContact O-N 3.1Å; D750-T754 PolarHBondContact O-OG1 2.88Å |
| 751 | M | 84.8 | Confident | 81 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 5% | 0.049 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.6 | -42.6 | 176.6 | -169.9 | 56.5 | 60.5 | 0 | 0 | 112.1 | A728 L729 G732 K747 L748 K749 A753 T754 M755 T874 | A728-M751 HydrophobicContact CB-SD 4.33Å; A728-M751 WeakPolarHBondContact O-CE 3.39Å; L729-M751 HydrophobicContact CD2-CG 4.42Å; L729-M751 HydrophobicContact CD2-SD 4.39Å; G732-M751 VanDerWaalsContact CA-CE 3.43Å; K747-M751 WeakPolarHBondContact O-CB 3.41Å; K747-M751 PolarHBondContact O-N 2.9Å; L748-M751 PolarHBondContact O-N 3.39Å; K749-M751 VanDerWaalsContact C-N 3.28Å; K749-M751 PolarHBondContact O-N 3.03Å; M751-A753 VanDerWaalsContact C-N 3.32Å; M751-A753 PolarHBondContact O-N 3.47Å; M751-T754 WeakPolarHBondContact O-CB 3.4Å; M751-T754 PolarHBondContact O-N 2.98Å; M751-T754 VanDerWaalsContact O-N 3.12Å; M751-M755 HydrophobicContact CG-CE 4.29Å; M751-M755 HydrophobicContact CG-CG 4.41Å; M751-M755 WeakPolarHBondContact O-CG 3.46Å; M751-M755 PolarHBondContact O-N 3.08Å; M751-M755 HydrophobicContact SD-CE 3.54Å; M751-M755 VanDerWaalsContact SD-CE 3.54Å; M751-M755 HydrophobicContact SD-CG 4.45Å; M751-T874 HydrophobicContact CB-CG2 3.6Å; M751-T874 HydrophobicContact CG-CG2 3.32Å |
| 752 | A | 84.4 | Confident | 82 | Confident | 15 Ų | 15 | 45 Ų | 45 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.7 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | L748 K749 T754 M755 D756 | L748-A752 WeakPolarHBondContact O-CB 3.31Å; L748-A752 PolarHBondContact O-N 3.22Å; K749-A752 PolarHBondContact O-N 2.72Å; A752-T754 VanDerWaalsContact C-N 3.32Å; A752-T754 PolarHBondContact O-N 2.96Å; A752-M755 PolarHBondContact O-N 3.49Å; A752-D756 WeakPolarHBondContact O-CB 3.45Å; A752-D756 PolarHBondContact O-N 3.32Å |
| 753 | A | 83.3 | Confident | 82.8 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 37% | 0.372 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K749 M751 G757 | K749-A753 PolarHBondContact O-N 2.89Å; M751-A753 VanDerWaalsContact C-N 3.32Å; M751-A753 PolarHBondContact O-N 3.47Å; A753-G757 PolarHBondContact O-N 3.36Å |
| 754 | T | 82.8 | Confident | 83 | Confident | 51 Ų | 51 | 47.6 Ų | 47.6 | 31% | 0.313 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.3 | -43.5 | 176.2 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | D750 M751 A752 G757 F758 | D750-T754 PolarHBondContact O-N 3.47Å; D750-T754 VanDerWaalsContact O-N 3.1Å; D750-T754 PolarHBondContact O-OG1 2.88Å; M751-T754 WeakPolarHBondContact O-CB 3.4Å; M751-T754 PolarHBondContact O-N 2.98Å; M751-T754 VanDerWaalsContact O-N 3.12Å; A752-T754 VanDerWaalsContact C-N 3.32Å; A752-T754 PolarHBondContact O-N 2.96Å; T754-G757 PolarHBondContact O-N 3.44Å; T754-F758 HydrophobicContact CG2-CD2 4.28Å; T754-F758 HydrophobicContact CG2-CE2 3.77Å; T754-F758 WeakPolarHBondContact O-CD2 3.28Å; T754-F758 PolarHBondContact O-N 3.36Å; T754-F758 VanDerWaalsContact O-N 3.13Å |
| 755 | M | 84.1 | Confident | 83.1 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 6% | 0.059 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | 179.3 | -68.5 | -62.9 | 163.3 | 0 | 0 | 112.4 | V725 A728 L729 M751 A752 G757 F758 Y759 W777 | V725-M755 HydrophobicContact CG1-CE 4.11Å; V725-M755 HydrophobicContact CG1-SD 4.28Å; A728-M755 HydrophobicContact CB-CE 4.26Å; L729-M755 HydrophobicContact CD1-CE 4.39Å; L729-M755 HydrophobicContact CD2-CE 3.58Å; L729-M755 HydrophobicContact CG-CE 3.65Å; M751-M755 HydrophobicContact CG-CE 4.29Å; M751-M755 HydrophobicContact CG-CG 4.41Å; M751-M755 WeakPolarHBondContact O-CG 3.46Å; M751-M755 PolarHBondContact O-N 3.08Å; M751-M755 HydrophobicContact SD-CE 3.54Å; M751-M755 VanDerWaalsContact SD-CE 3.54Å; M751-M755 HydrophobicContact SD-CG 4.45Å; A752-M755 PolarHBondContact O-N 3.49Å; M755-G757 VanDerWaalsContact C-N 3.32Å; M755-G757 PolarHBondContact O-N 2.86Å; M755-F758 PolarHBondContact O-N 3.13Å; M755-F758 HydrophobicContact SD-CD2 4.41Å; M755-Y759 PolarHBondContact O-N 3.33Å; M755-W777 HydrophobicContact SD-CH2 3.87Å; M755-W777 HydrophobicContact SD-CZ2 4.39Å |
| 756 | D | 83.6 | Confident | 83.2 | Confident | 65 Ų | 65 | 47.7 Ų | 47.7 | 35% | 0.348 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.7 | -39.6 | 173.9 | -174.4 | 41.8 | 0 | 0 | 0 | 111.4 | A752 F758 Y759 R760 | A752-D756 WeakPolarHBondContact O-CB 3.45Å; A752-D756 PolarHBondContact O-N 3.32Å; D756-F758 VanDerWaalsContact C-N 3.35Å; D756-F758 PolarHBondContact O-N 2.8Å; D756-Y759 WeakPolarHBondContact O-CB 3.36Å; D756-Y759 PolarHBondContact O-N 3.23Å; D756-R760 WeakPolarHBondContact O-CG 3.21Å; D756-R760 PolarHBondContact O-N 2.9Å; D756-R760 IonicContact OD1-NE 3.34Å; D756-R760 PolarHBondContact OD1-NE 2.85Å; D756-R760 IonicContact OD1-NH2 3.05Å; D756-R760 IonicContact OD2-CZ 3.05Å; D756-R760 IonicContact OD2-NE 2.72Å; D756-R760 PolarHBondContact OD2-NE 3.2Å; D756-R760 IonicContact OD2-NH2 2.62Å; D756-R760 PolarHBondContact OD2-NH2 2.87Å |
| 757 | G | 82.1 | Confident | 83.1 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.7 | -42.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A753 T754 M755 S761 | A753-G757 PolarHBondContact O-N 3.36Å; T754-G757 PolarHBondContact O-N 3.44Å; M755-G757 VanDerWaalsContact C-N 3.32Å; M755-G757 PolarHBondContact O-N 2.86Å; G757-S761 WeakPolarHBondContact O-CB 3.43Å; G757-S761 PolarHBondContact O-N 3.44Å; G757-S761 VanDerWaalsContact O-N 3.17Å; G757-S761 PolarHBondContact O-OG 3.06Å |
| 758 | F | 84.1 | Confident | 82.9 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -51.3 | 171.9 | -73.8 | -63 | 0 | 0 | 0 | 110.9 | I649 R724 T754 M755 D756 R760 S761 F762 W777 | I649-F758 HydrophobicContact CD1-CD1 3.45Å; I649-F758 VanDerWaalsContact CD1-CD1 3.45Å; I649-F758 HydrophobicContact CD1-CE1 3.61Å; I649-F758 HydrophobicContact CD1-CG 4.25Å; R724-F758 HydrophobicContact CB-CZ 4.44Å; T754-F758 HydrophobicContact CG2-CD2 4.28Å; T754-F758 HydrophobicContact CG2-CE2 3.77Å; T754-F758 WeakPolarHBondContact O-CD2 3.28Å; T754-F758 PolarHBondContact O-N 3.36Å; T754-F758 VanDerWaalsContact O-N 3.13Å; M755-F758 PolarHBondContact O-N 3.13Å; M755-F758 HydrophobicContact SD-CD2 4.41Å; D756-F758 VanDerWaalsContact C-N 3.35Å; D756-F758 PolarHBondContact O-N 2.8Å; F758-R760 PolarHBondContact O-N 3.14Å; F758-S761 PolarHBondContact O-N 2.81Å; F758-S761 VanDerWaalsContact O-N 3.14Å; F758-F762 VanDerWaalsContact O-CD2 3.3Å; F758-F762 WeakPolarHBondContact O-CD2 3.39Å; F758-F762 PolarHBondContact O-N 3.49Å; F758-W777 HydrophobicContact CB-CE3 4.35Å; F758-W777 HydrophobicContact CB-CH2 3.57Å; F758-W777 HydrophobicContact CB-CZ3 3.41Å; F758-W777 VanDerWaalsContact CB-CZ3 3.41Å; F758-W777 HydrophobicContact CD2-CH2 4.44Å; F758-W777 HydrophobicContact CG-CH2 4.35Å; F758-W777 HydrophobicContact CG-CZ3 4.16Å |
| 759 | Y | 85.5 | Confident | 82.6 | Confident | 95 Ų | 95 | 53.5 Ų | 53.5 | 37% | 0.373 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -52.1 | -53 | -179.2 | -179.2 | -92.9 | 0 | 0 | 0 | 112.4 | M755 D756 S761 F762 E763 L774 W777 | M755-Y759 PolarHBondContact O-N 3.33Å; D756-Y759 WeakPolarHBondContact O-CB 3.36Å; D756-Y759 PolarHBondContact O-N 3.23Å; Y759-S761 VanDerWaalsContact C-N 3.33Å; Y759-S761 PolarHBondContact O-N 3.37Å; Y759-F762 PolarHBondContact O-N 3.12Å; Y759-E763 PolarHBondContact O-N 3.29Å; Y759-L774 HydrophobicContact CD2-CD2 4.04Å; Y759-L774 HydrophobicContact CE1-CD2 4.22Å; Y759-L774 HydrophobicContact CE2-CD2 3.54Å; Y759-W777 AromaticContact CD2-CD1 3.67Å; Y759-W777 HydrophobicContact CD2-CG 4.3Å; Y759-W777 AromaticContact CD2-NE1 3.66Å |
| 760 | R | 83.5 | Confident | 82.4 | Confident | 93 Ų | 93 | 52 Ų | 52 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 179.1 | -67.3 | -179.4 | -168.4 | -168.7 | 7.9 | 113.1 | E658 D756 F758 F762 E763 Y764 | E658-R760 VanDerWaalsContact CD-NH1 3.32Å; E658-R760 IonicContact OE1-CZ 2.63Å; E658-R760 IonicContact OE1-NH1 3.54Å; E658-R760 PolarHBondContact OE1-NH1 3.04Å; E658-R760 IonicContact OE1-NH2 3.73Å; E658-R760 IonicContact OE2-NH1 2.92Å; D756-R760 WeakPolarHBondContact O-CG 3.21Å; D756-R760 PolarHBondContact O-N 2.9Å; D756-R760 IonicContact OD1-NE 3.34Å; D756-R760 PolarHBondContact OD1-NE 2.85Å; D756-R760 IonicContact OD1-NH2 3.05Å; D756-R760 IonicContact OD2-CZ 3.05Å; D756-R760 IonicContact OD2-NE 2.72Å; D756-R760 PolarHBondContact OD2-NE 3.2Å; D756-R760 IonicContact OD2-NH2 2.62Å; D756-R760 PolarHBondContact OD2-NH2 2.87Å; F758-R760 PolarHBondContact O-N 3.14Å; R760-F762 VanDerWaalsContact C-N 3.35Å; R760-E763 WeakPolarHBondContact O-CB 3.36Å; R760-E763 PolarHBondContact O-N 3.43Å; R760-Y764 WeakPolarHBondContact O-CB 3.27Å; R760-Y764 PolarHBondContact O-N 3.48Å |
| 761 | S | 81.1 | Confident | 82.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.3 | -31.8 | 179.7 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | I649 Q652 G757 F758 Y759 Y764 I765 | I649-S761 WeakPolarHBondContact CG1-OG 3.06Å; Q652-S761 PolarHBondContact OE1-OG 3.37Å; G757-S761 WeakPolarHBondContact O-CB 3.43Å; G757-S761 PolarHBondContact O-N 3.44Å; G757-S761 VanDerWaalsContact O-N 3.17Å; G757-S761 PolarHBondContact O-OG 3.06Å; F758-S761 PolarHBondContact O-N 2.81Å; F758-S761 VanDerWaalsContact O-N 3.14Å; Y759-S761 VanDerWaalsContact C-N 3.33Å; Y759-S761 PolarHBondContact O-N 3.37Å; S761-Y764 PolarHBondContact O-N 3.44Å; S761-I765 WeakPolarHBondContact O-CB 3.47Å; S761-I765 WeakPolarHBondContact O-CG1 3.49Å; S761-I765 PolarHBondContact O-N 2.88Å |
| 762 | F | 82.4 | Confident | 82.4 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 4% | 0.044 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.6 | -39.5 | 171.9 | -89 | -84.8 | 0 | 0 | 0 | 112.4 | F642 I717 L721 F758 Y759 R760 Y764 I765 Q766 W777 | F642-F762 HydrophobicContact CE1-CE2 4.19Å; F642-F762 AromaticContact CE1-CZ 3.86Å; F642-F762 HydrophobicContact CE1-CZ 3.86Å; F642-F762 HydrophobicContact CE2-CZ 4.47Å; F642-F762 HydrophobicContact CZ-CE1 4.4Å; F642-F762 HydrophobicContact CZ-CE2 4.32Å; F642-F762 AromaticContact CZ-CZ 3.54Å; F642-F762 HydrophobicContact CZ-CZ 3.54Å; I717-F762 HydrophobicContact CG2-CE1 3.79Å; I717-F762 HydrophobicContact CG2-CZ 4.32Å; L721-F762 HydrophobicContact CB-CZ 4.23Å; L721-F762 HydrophobicContact CD1-CD2 4.49Å; L721-F762 HydrophobicContact CD1-CE2 3.53Å; L721-F762 HydrophobicContact CD1-CZ 3.7Å; L721-F762 HydrophobicContact CD2-CZ 4.21Å; L721-F762 HydrophobicContact CG-CZ 4.26Å; F758-F762 VanDerWaalsContact O-CD2 3.3Å; F758-F762 WeakPolarHBondContact O-CD2 3.39Å; F758-F762 PolarHBondContact O-N 3.49Å; Y759-F762 PolarHBondContact O-N 3.12Å; R760-F762 VanDerWaalsContact C-N 3.35Å; F762-Y764 PolarHBondContact O-N 3.37Å; F762-I765 PolarHBondContact O-N 3.21Å; F762-Q766 WeakPolarHBondContact O-CB 3.36Å; F762-Q766 PolarHBondContact O-N 2.83Å; F762-Q766 VanDerWaalsContact O-N 3.09Å; F762-W777 HydrophobicContact CD2-CE3 4.4Å |
| 763 | E | 83.9 | Confident | 82.4 | Confident | 92 Ų | 92 | 54.9 Ų | 54.9 | 43% | 0.43 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.8 | -40.2 | 170.9 | -173.6 | 177.7 | -162.7 | 0 | 0 | 111.2 | Y759 R760 Q766 L774 | Y759-E763 PolarHBondContact O-N 3.29Å; R760-E763 WeakPolarHBondContact O-CB 3.36Å; R760-E763 PolarHBondContact O-N 3.43Å; E763-Q766 VanDerWaalsContact O-CG 3.27Å; E763-Q766 WeakPolarHBondContact O-CG 3.46Å; E763-Q766 PolarHBondContact O-NE2 2.86Å; E763-L774 HydrophobicContact CB-CD2 4.17Å |
| 764 | Y | 79.4 | Confident | 82.5 | Confident | 77 Ų | 77 | 55.1 Ų | 55.1 | 30% | 0.302 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.4 | -38.2 | 179.2 | -175.2 | -100.5 | 0 | 0 | 0 | 113.6 | V680 T684 R760 S761 F762 Y768 | V680-Y764 HydrophobicContact CG1-CE1 4.25Å; T684-Y764 HydrophobicContact CG2-CE1 3.81Å; T684-Y764 WeakPolarHBondContact OG1-CE1 3.02Å; R760-Y764 WeakPolarHBondContact O-CB 3.27Å; R760-Y764 PolarHBondContact O-N 3.48Å; S761-Y764 PolarHBondContact O-N 3.44Å; F762-Y764 PolarHBondContact O-N 3.37Å; Y764-Y768 HydrophobicContact CD1-CE2 4.49Å; Y764-Y768 HydrophobicContact CE1-CE2 4.05Å; Y764-Y768 WeakPolarHBondContact O-CD2 3.32Å; Y764-Y768 WeakPolarHBondContact O-CE2 3.44Å |
| 765 | I | 81.1 | Confident | 82.7 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -85.9 | -19.7 | -173.4 | -74.3 | 168.2 | 0 | 0 | 0 | 113.3 | L645 I687 S761 F762 D767 Y768 V769 | L645-I765 HydrophobicContact CB-CD1 4.41Å; L645-I765 HydrophobicContact CD1-CD1 3.3Å; L645-I765 HydrophobicContact CD2-CD1 4.22Å; L645-I765 HydrophobicContact CG-CD1 3.33Å; I687-I765 HydrophobicContact CD1-CD1 3.81Å; I687-I765 HydrophobicContact CD1-CG1 4.49Å; I687-I765 HydrophobicContact CG2-CG2 4.32Å; S761-I765 WeakPolarHBondContact O-CB 3.47Å; S761-I765 WeakPolarHBondContact O-CG1 3.49Å; S761-I765 PolarHBondContact O-N 2.88Å; F762-I765 PolarHBondContact O-N 3.21Å; I765-D767 PolarHBondContact O-N 2.84Å; I765-D767 VanDerWaalsContact O-N 3.1Å; I765-Y768 PolarHBondContact O-N 3.09Å; I765-V769 HydrophobicContact CG2-CB 4.34Å; I765-V769 HydrophobicContact CG2-CG2 3.32Å; I765-V769 PolarHBondContact O-N 3.43Å; I765-V769 VanDerWaalsContact O-N 3.15Å |
| 766 | Q | 83.9 | Confident | 82.9 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 23% | 0.229 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -51.5 | -39.8 | -173.7 | 74.4 | -170.8 | -29 | 0 | 0 | 113.6 | F762 E763 S770 I771 | F762-Q766 WeakPolarHBondContact O-CB 3.36Å; F762-Q766 PolarHBondContact O-N 2.83Å; F762-Q766 VanDerWaalsContact O-N 3.09Å; E763-Q766 VanDerWaalsContact O-CG 3.27Å; E763-Q766 WeakPolarHBondContact O-CG 3.46Å; E763-Q766 PolarHBondContact O-NE2 2.86Å; Q766-S770 PolarHBondContact O-N 3.26Å; Q766-I771 WeakPolarHBondContact CB-O 3.47Å; Q766-I771 PolarHBondContact O-N 2.97Å |
| 767 | D | 81.3 | Confident | 83.1 | Confident | 131 Ų | 131 | 56.1 Ų | 56.1 | 70% | 0.701 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -72.2 | -38.2 | -177.8 | -67.7 | -23 | 0 | 0 | 0 | 112.2 | I765 V769 | I765-D767 PolarHBondContact O-N 2.84Å; I765-D767 VanDerWaalsContact O-N 3.1Å; D767-V769 VanDerWaalsContact C-N 3.33Å; D767-V769 PolarHBondContact O-N 2.99Å |
| 768 | Y | 77.5 | Confident | 83.3 | Confident | 108 Ų | 108 | 61.9 Ų | 61.9 | 42% | 0.424 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.8 | -27.7 | -179.6 | -60.7 | -78.9 | 0 | 0 | 0 | 112.7 | T684 Y764 I765 | T684-Y768 HydrophobicContact CG2-CD1 3.93Å; T684-Y768 HydrophobicContact CG2-CD2 3.63Å; T684-Y768 HydrophobicContact CG2-CE1 3.78Å; T684-Y768 HydrophobicContact CG2-CE2 3.47Å; T684-Y768 VanDerWaalsContact CG2-CE2 3.47Å; T684-Y768 HydrophobicContact CG2-CG 3.86Å; Y764-Y768 HydrophobicContact CD1-CE2 4.49Å; Y764-Y768 HydrophobicContact CE1-CE2 4.05Å; Y764-Y768 WeakPolarHBondContact O-CD2 3.32Å; Y764-Y768 WeakPolarHBondContact O-CE2 3.44Å; I765-Y768 PolarHBondContact O-N 3.09Å |
| 769 | V | 77.7 | Confident | 83.4 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -97.7 | -13.6 | -177.9 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | I687 T691 L713 I717 I765 D767 I771 | I687-V769 HydrophobicContact CG2-CG2 4.22Å; T691-V769 HydrophobicContact CG2-CB 4.46Å; T691-V769 HydrophobicContact CG2-CG1 4.17Å; L713-V769 HydrophobicContact CD2-CG1 3.92Å; L713-V769 HydrophobicContact CG-CG1 4.45Å; I717-V769 HydrophobicContact CD1-CG1 3.84Å; I765-V769 HydrophobicContact CG2-CB 4.34Å; I765-V769 HydrophobicContact CG2-CG2 3.32Å; I765-V769 PolarHBondContact O-N 3.43Å; I765-V769 VanDerWaalsContact O-N 3.15Å; D767-V769 VanDerWaalsContact C-N 3.33Å; D767-V769 PolarHBondContact O-N 2.99Å; V769-I771 VanDerWaalsContact C-N 3.27Å; V769-I771 HydrophobicContact CG1-CB 4.24Å; V769-I771 HydrophobicContact CG1-CD1 3.57Å; V769-I771 HydrophobicContact CG1-CG1 3.89Å; V769-I771 PolarHBondContact O-N 3.44Å |
| 770 | S | 80.8 | Confident | 83.5 | Confident | 78 Ų | 78 | 60 Ų | 60 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 40.3 | -175.3 | -163.8 | 0 | 0 | 0 | 0 | 112.8 | K710 Q766 | K710-S770 VanDerWaalsContact CE-O 3.25Å; K710-S770 WeakPolarHBondContact CE-O 3.43Å; K710-S770 PolarHBondContact NZ-O 2.87Å; Q766-S770 PolarHBondContact O-N 3.26Å |
| 771 | I | 82.9 | Confident | 83.6 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 7% | 0.067 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -131.7 | 142.6 | 180 | -65.1 | 178.9 | 0 | 0 | 0 | 108.9 | L713 E714 I717 Q766 V769 G773 I776 | L713-I771 HydrophobicContact CD2-CD1 4.26Å; L713-I771 HydrophobicContact CG-CD1 4.08Å; E714-I771 HydrophobicContact CB-CD1 4.1Å; E714-I771 HydrophobicContact CG-CD1 4.47Å; E714-I771 HydrophobicContact CG-CG2 4.11Å; I717-I771 HydrophobicContact CD1-CD1 3.95Å; Q766-I771 WeakPolarHBondContact CB-O 3.47Å; Q766-I771 PolarHBondContact O-N 2.97Å; V769-I771 VanDerWaalsContact C-N 3.27Å; V769-I771 HydrophobicContact CG1-CB 4.24Å; V769-I771 HydrophobicContact CG1-CD1 3.57Å; V769-I771 HydrophobicContact CG1-CG1 3.89Å; V769-I771 PolarHBondContact O-N 3.44Å; I771-G773 VanDerWaalsContact C-N 3.31Å; I771-G773 PolarHBondContact O-N 3.37Å; I771-I776 HydrophobicContact CG2-CD1 3.27Å |
| 772 | Y | 84.6 | Confident | 83.9 | Confident | 182 Ų | 182 | 57.4 Ų | 57.4 | 71% | 0.714 | 27% | 0.272 | S | S | * | . | trans | -72.8 | 79.6 | 177.5 | -62.2 | -73 | 0 | 0 | 0 | 112 | L774 K775 I776 | Y772-L774 PolarHBondContact O-N 3.04Å; Y772-K775 PolarHBondContact O-N 3.09Å; Y772-I776 PolarHBondContact O-N 2.65Å | ||
| 773 | G | 84.5 | Confident | 84.1 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.9 | -43.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114 | I771 K775 I776 W777 | I771-G773 VanDerWaalsContact C-N 3.31Å; I771-G773 PolarHBondContact O-N 3.37Å; G773-K775 PolarHBondContact O-N 2.72Å; G773-I776 PolarHBondContact O-N 2.86Å; G773-W777 PolarHBondContact O-N 3.29Å |
| 774 | L | 85.3 | Confident | 84.1 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.5 | -36.8 | -179.2 | -65.6 | -178.9 | 0 | 0 | 0 | 113.3 | Y759 E763 Y772 W777 Q778 | Y759-L774 HydrophobicContact CD2-CD2 4.04Å; Y759-L774 HydrophobicContact CE1-CD2 4.22Å; Y759-L774 HydrophobicContact CE2-CD2 3.54Å; E763-L774 HydrophobicContact CB-CD2 4.17Å; Y772-L774 PolarHBondContact O-N 3.04Å; L774-W777 PolarHBondContact O-N 2.91Å; L774-Q778 PolarHBondContact O-N 3.11Å; L774-Q778 VanDerWaalsContact O-N 3.1Å |
| 775 | K | 88.3 | Confident | 84.4 | Confident | 118 Ų | 118 | 50.6 Ų | 50.6 | 51% | 0.513 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64 | -46.3 | 175 | 179.7 | 179.7 | 170.8 | -178.4 | 0 | 110.5 | Y772 G773 W777 Q778 E779 | Y772-K775 PolarHBondContact O-N 3.09Å; G773-K775 PolarHBondContact O-N 2.72Å; K775-W777 VanDerWaalsContact C-N 3.33Å; K775-W777 PolarHBondContact O-N 3.03Å; K775-Q778 PolarHBondContact O-N 3.25Å; K775-E779 WeakPolarHBondContact CE-OE1 3.05Å; K775-E779 IonicContact NZ-OE1 3.02Å; K775-E779 WeakPolarHBondContact O-CG 3.42Å; K775-E779 PolarHBondContact O-N 2.95Å |
| 776 | I | 86.5 | Confident | 84.6 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -43.5 | 177.3 | -70.2 | 172.9 | 0 | 0 | 0 | 111 | E714 R718 L721 I771 Y772 G773 Q778 E779 E780 | E714-I776 HydrophobicContact CG-CD1 3.56Å; R718-I776 HydrophobicContact CG-CG2 3.62Å; L721-I776 HydrophobicContact CD2-CG2 4.04Å; I771-I776 HydrophobicContact CG2-CD1 3.27Å; Y772-I776 PolarHBondContact O-N 2.65Å; G773-I776 PolarHBondContact O-N 2.86Å; I776-Q778 PolarHBondContact O-N 2.97Å; I776-E779 PolarHBondContact O-N 3.32Å; I776-E780 HydrophobicContact CG2-CG 4.09Å; I776-E780 WeakPolarHBondContact O-CB 3.34Å; I776-E780 WeakPolarHBondContact O-CG 3.32Å; I776-E780 PolarHBondContact O-N 3.34Å |
| 777 | W | 88.3 | Confident | 84.6 | Confident | 30 Ų | 30 | 49.4 Ų | 49.4 | 11% | 0.114 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.4 | -50.1 | 175.8 | 174 | -97.3 | 0 | 0 | 0 | 111.7 | L721 V725 M755 F758 Y759 F762 G773 L774 K775 V781 | L721-W777 HydrophobicContact CD1-CE3 3.71Å; L721-W777 HydrophobicContact CD1-CZ3 3.69Å; L721-W777 HydrophobicContact CD2-CE3 4.31Å; V725-W777 HydrophobicContact CG2-CH2 4.27Å; V725-W777 HydrophobicContact CG2-CZ3 3.88Å; M755-W777 HydrophobicContact SD-CH2 3.87Å; M755-W777 HydrophobicContact SD-CZ2 4.39Å; F758-W777 HydrophobicContact CB-CE3 4.35Å; F758-W777 HydrophobicContact CB-CH2 3.57Å; F758-W777 HydrophobicContact CB-CZ3 3.41Å; F758-W777 VanDerWaalsContact CB-CZ3 3.41Å; F758-W777 HydrophobicContact CD2-CH2 4.44Å; F758-W777 HydrophobicContact CG-CH2 4.35Å; F758-W777 HydrophobicContact CG-CZ3 4.16Å; Y759-W777 AromaticContact CD2-CD1 3.67Å; Y759-W777 HydrophobicContact CD2-CG 4.3Å; Y759-W777 AromaticContact CD2-NE1 3.66Å; F762-W777 HydrophobicContact CD2-CE3 4.4Å; G773-W777 PolarHBondContact O-N 3.29Å; L774-W777 PolarHBondContact O-N 2.91Å; K775-W777 VanDerWaalsContact C-N 3.33Å; K775-W777 PolarHBondContact O-N 3.03Å; W777-V781 HydrophobicContact CD2-CG2 3.81Å; W777-V781 HydrophobicContact CE3-CG2 4.03Å; W777-V781 HydrophobicContact CG-CG2 4.39Å; W777-V781 HydrophobicContact CH2-CG2 4.07Å; W777-V781 HydrophobicContact CZ2-CG2 3.85Å; W777-V781 HydrophobicContact CZ3-CG2 4.15Å; W777-V781 VanDerWaalsContact O-CB 3.29Å; W777-V781 WeakPolarHBondContact O-CB 3.36Å; W777-V781 VanDerWaalsContact O-CG2 3.22Å; W777-V781 WeakPolarHBondContact O-CG2 3.5Å; W777-V781 PolarHBondContact O-N 3.31Å |
| 778 | Q | 86.8 | Confident | 84.6 | Confident | 124 Ų | 124 | 43.9 Ų | 43.9 | 58% | 0.579 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63.6 | -45 | -179.6 | -171.9 | 179.1 | 6.4 | 0 | 0 | 112.5 | L774 K775 I776 S782 F878 | L774-Q778 PolarHBondContact O-N 3.11Å; L774-Q778 VanDerWaalsContact O-N 3.1Å; K775-Q778 PolarHBondContact O-N 3.25Å; I776-Q778 PolarHBondContact O-N 2.97Å; Q778-S782 VanDerWaalsContact O-CB 3.23Å; Q778-S782 WeakPolarHBondContact O-CB 3.5Å; Q778-S782 PolarHBondContact O-N 3.28Å; Q778-F878 HydrophobicContact CG-CE2 4.46Å |
| 779 | E | 86.9 | Confident | 84.8 | Confident | 74 Ų | 74 | 38.9 Ų | 38.9 | 35% | 0.346 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.5 | -51.9 | 178.6 | -74 | 177.6 | -179.5 | 0 | 0 | 111.5 | R718 K775 I776 R783 | R718-E779 IonicContact CZ-OE2 3.6Å; R718-E779 IonicContact NH1-OE2 3.54Å; R718-E779 PolarHBondContact NH1-OE2 3.39Å; R718-E779 IonicContact NH2-OE2 3.88Å; R718-E779 PolarHBondContact NH2-OE2 3.23Å; K775-E779 WeakPolarHBondContact CE-OE1 3.05Å; K775-E779 IonicContact NZ-OE1 3.02Å; K775-E779 WeakPolarHBondContact O-CG 3.42Å; K775-E779 PolarHBondContact O-N 2.95Å; I776-E779 PolarHBondContact O-N 3.32Å; E779-R783 VanDerWaalsContact O-CB 3.26Å; E779-R783 WeakPolarHBondContact O-CB 3.39Å; E779-R783 PolarHBondContact O-N 3.48Å |
| 780 | E | 86.9 | Confident | 85 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.023 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -75 | -36.9 | -173.6 | -60.9 | -55.3 | 149.5 | 0 | 0 | 112.4 | R718 L721 V722 I776 R783 I784 | R718-E780 HydrophobicContact CB-CG 4.17Å; R718-E780 WeakPolarHBondContact CD-OE1 3.37Å; R718-E780 HydrophobicContact CG-CG 4.02Å; R718-E780 IonicContact CZ-OE1 3.45Å; R718-E780 IonicContact NE-OE1 3.96Å; R718-E780 IonicContact NH1-OE1 2.69Å; R718-E780 PolarHBondContact NH1-OE1 2.91Å; L721-E780 HydrophobicContact CD2-CB 3.99Å; L721-E780 HydrophobicContact CD2-CG 4.27Å; V722-E780 HydrophobicContact CG2-CB 3.96Å; V722-E780 HydrophobicContact CG2-CG 4.23Å; V722-E780 WeakPolarHBondContact CG2-OE2 3.41Å; I776-E780 HydrophobicContact CG2-CG 4.09Å; I776-E780 WeakPolarHBondContact O-CB 3.34Å; I776-E780 WeakPolarHBondContact O-CG 3.32Å; I776-E780 PolarHBondContact O-N 3.34Å; E780-R783 WeakPolarHBondContact O-CB 3.21Å; E780-R783 PolarHBondContact O-N 2.93Å; E780-R783 IonicContact OE2-NH1 3.6Å; E780-R783 PolarHBondContact OE2-NH1 2.95Å; E780-R783 VanDerWaalsContact OE2-NH1 3.08Å; E780-I784 WeakPolarHBondContact O-CD1 3.33Å; E780-I784 WeakPolarHBondContact O-CG1 3.34Å; E780-I784 PolarHBondContact O-N 3.41Å |
| 781 | V | 86 | Confident | 84.9 | Confident | 19 Ų | 19 | 37 Ų | 37 | 12% | 0.115 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 175.2 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | W777 R783 I784 I785 | W777-V781 HydrophobicContact CD2-CG2 3.81Å; W777-V781 HydrophobicContact CE3-CG2 4.03Å; W777-V781 HydrophobicContact CG-CG2 4.39Å; W777-V781 HydrophobicContact CH2-CG2 4.07Å; W777-V781 HydrophobicContact CZ2-CG2 3.85Å; W777-V781 HydrophobicContact CZ3-CG2 4.15Å; W777-V781 VanDerWaalsContact O-CB 3.29Å; W777-V781 WeakPolarHBondContact O-CB 3.36Å; W777-V781 VanDerWaalsContact O-CG2 3.22Å; W777-V781 WeakPolarHBondContact O-CG2 3.5Å; W777-V781 PolarHBondContact O-N 3.31Å; V781-R783 VanDerWaalsContact C-N 3.29Å; V781-R783 PolarHBondContact O-N 3.46Å; V781-I784 PolarHBondContact O-N 3.28Å; V781-I785 HydrophobicContact CG1-CD1 3.84Å; V781-I785 WeakPolarHBondContact O-CG1 2.87Å; V781-I785 PolarHBondContact O-N 3.03Å |
| 782 | S | 86.6 | Confident | 84.7 | Confident | 20 Ų | 20 | 36.5 Ų | 36.5 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.6 | -45.2 | 174.1 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | Q778 I785 N786 F878 | Q778-S782 VanDerWaalsContact O-CB 3.23Å; Q778-S782 WeakPolarHBondContact O-CB 3.5Å; Q778-S782 PolarHBondContact O-N 3.28Å; S782-I785 PolarHBondContact O-N 2.99Å; S782-N786 WeakPolarHBondContact O-CB 3.45Å; S782-N786 VanDerWaalsContact O-CG 3.31Å; S782-N786 PolarHBondContact O-N 3.42Å; S782-N786 PolarHBondContact O-ND2 3.4Å; S782-N786 VanDerWaalsContact O-ND2 3.08Å; S782-N786 PolarHBondContact OG-ND2 3.17Å; S782-F878 VanDerWaalsContact OG-CD1 3.27Å; S782-F878 WeakPolarHBondContact OG-CD1 3.05Å; S782-F878 WeakPolarHBondContact OG-CE1 3.4Å; S782-F878 WeakPolarHBondContact OG-CZ 3.42Å |
| 783 | R | 86.4 | Confident | 84.4 | Confident | 35 Ų | 35 | 28 Ų | 28 | 13% | 0.132 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 179.9 | -168.9 | -178.1 | 167.9 | -131.5 | -24.9 | 112.8 | E779 E780 V781 Y787 H808 I813 I815 | E779-R783 VanDerWaalsContact O-CB 3.26Å; E779-R783 WeakPolarHBondContact O-CB 3.39Å; E779-R783 PolarHBondContact O-N 3.48Å; E780-R783 WeakPolarHBondContact O-CB 3.21Å; E780-R783 PolarHBondContact O-N 2.93Å; E780-R783 IonicContact OE2-NH1 3.6Å; E780-R783 PolarHBondContact OE2-NH1 2.95Å; E780-R783 VanDerWaalsContact OE2-NH1 3.08Å; V781-R783 VanDerWaalsContact C-N 3.29Å; V781-R783 PolarHBondContact O-N 3.46Å; R783-Y787 VanDerWaalsContact O-CB 3.26Å; R783-Y787 WeakPolarHBondContact O-CB 3.48Å; R783-Y787 PolarHBondContact O-N 3Å; R783-H808 HydrophobicContact CG-CB 4.2Å; R783-H808 WeakPolarHBondContact CG-O 3.36Å; R783-H808 VanDerWaalsContact CZ-O 3.3Å; R783-H808 PolarHBondContact NE-O 2.91Å; R783-H808 PolarHBondContact NH2-O 2.86Å; R783-I813 VanDerWaalsContact NH1-CG2 3.35Å; R783-I813 PolarHBondContact NH1-O 3.27Å; R783-I813 PolarHBondContact NH2-O 3.08Å; R783-I815 HydrophobicContact CG-CD1 4.22Å |
| 784 | I | 84.8 | Confident | 84 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.3 | -48.2 | 176.5 | -67.8 | 161.7 | 0 | 0 | 0 | 110.6 | V722 V725 A726 L729 E780 V781 N788 | V722-I784 HydrophobicContact CB-CD1 4.24Å; V722-I784 HydrophobicContact CB-CG1 4.47Å; V722-I784 HydrophobicContact CG1-CD1 4.28Å; V722-I784 HydrophobicContact CG1-CG1 4.06Å; V722-I784 HydrophobicContact CG2-CD1 4.06Å; V722-I784 HydrophobicContact CG2-CG1 4.18Å; V725-I784 HydrophobicContact CB-CD1 3.94Å; V725-I784 HydrophobicContact CG1-CD1 3.76Å; A726-I784 HydrophobicContact CB-CG2 4.42Å; L729-I784 HydrophobicContact CD1-CG2 4.21Å; E780-I784 WeakPolarHBondContact O-CD1 3.33Å; E780-I784 WeakPolarHBondContact O-CG1 3.34Å; E780-I784 PolarHBondContact O-N 3.41Å; V781-I784 PolarHBondContact O-N 3.28Å; I784-N788 PolarHBondContact O-N 3.04Å; I784-N788 VanDerWaalsContact O-N 3.11Å; I784-N788 PolarHBondContact O-ND2 3.05Å |
| 785 | I | 84.9 | Confident | 83.3 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.5 | -52.9 | -177 | -68.3 | 172.2 | 0 | 0 | 0 | 109.8 | V781 S782 Y787 N788 V789 I828 L875 F878 | V781-I785 HydrophobicContact CG1-CD1 3.84Å; V781-I785 WeakPolarHBondContact O-CG1 2.87Å; V781-I785 PolarHBondContact O-N 3.03Å; S782-I785 PolarHBondContact O-N 2.99Å; I785-Y787 VanDerWaalsContact C-N 3.32Å; I785-Y787 PolarHBondContact O-N 3.31Å; I785-N788 PolarHBondContact O-N 3.49Å; I785-N788 VanDerWaalsContact O-N 3.09Å; I785-V789 HydrophobicContact CG2-CG2 4.32Å; I785-V789 VanDerWaalsContact O-CG2 3.32Å; I785-V789 WeakPolarHBondContact O-CG2 3.27Å; I785-V789 PolarHBondContact O-N 3.29Å; I785-I828 HydrophobicContact CG2-CD1 3.91Å; I785-L875 HydrophobicContact CD1-CB 4.29Å; I785-L875 WeakPolarHBondContact CD1-O 3.35Å; I785-F878 HydrophobicContact CB-CB 4.4Å; I785-F878 HydrophobicContact CD1-CB 4.17Å; I785-F878 HydrophobicContact CG2-CB 4.15Å |
| 786 | N | 85.3 | Confident | 82.3 | Confident | 37 Ų | 37 | 26.1 Ų | 26.1 | 20% | 0.198 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.7 | -39.9 | -177.3 | -72.3 | -36.1 | 0 | 0 | 0 | 112.7 | S782 V789 E790 | S782-N786 WeakPolarHBondContact O-CB 3.45Å; S782-N786 VanDerWaalsContact O-CG 3.31Å; S782-N786 PolarHBondContact O-N 3.42Å; S782-N786 PolarHBondContact O-ND2 3.4Å; S782-N786 VanDerWaalsContact O-ND2 3.08Å; S782-N786 PolarHBondContact OG-ND2 3.17Å; N786-V789 PolarHBondContact O-N 3.01Å; N786-E790 WeakPolarHBondContact O-CB 3.46Å; N786-E790 PolarHBondContact O-N 3.04Å |
| 787 | Y | 84.1 | Confident | 81.5 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 173.4 | 177.2 | -104.5 | 0 | 0 | 0 | 112.3 | R783 I785 V789 E790 Q791 D803 H808 Q809 I815 K817 | R783-Y787 VanDerWaalsContact O-CB 3.26Å; R783-Y787 WeakPolarHBondContact O-CB 3.48Å; R783-Y787 PolarHBondContact O-N 3Å; I785-Y787 VanDerWaalsContact C-N 3.32Å; I785-Y787 PolarHBondContact O-N 3.31Å; Y787-V789 VanDerWaalsContact C-N 3.31Å; Y787-V789 PolarHBondContact O-N 3.18Å; Y787-E790 PolarHBondContact O-N 2.94Å; Y787-Q791 HydrophobicContact CD1-CG 4.23Å; Y787-Q791 HydrophobicContact CD2-CG 4.28Å; Y787-Q791 HydrophobicContact CE1-CG 3.91Å; Y787-Q791 HydrophobicContact CE2-CG 3.94Å; Y787-Q791 HydrophobicContact CG-CG 4.44Å; Y787-Q791 VanDerWaalsContact O-CG 3.31Å; Y787-Q791 WeakPolarHBondContact O-CG 3.38Å; Y787-Q791 PolarHBondContact O-N 3.4Å; Y787-D803 PolarHBondContact OH-OD1 3.44Å; Y787-H808 HydrophobicContact CD2-CB 4.35Å; Y787-Q809 HydrophobicContact CD2-CB 4.25Å; Y787-Q809 HydrophobicContact CE2-CB 3.89Å; Y787-Q809 HydrophobicContact CE2-CG 4.3Å; Y787-I815 VanDerWaalsContact CB-CD1 3.43Å; Y787-I815 HydrophobicContact CD1-CB 3.78Å; Y787-I815 HydrophobicContact CD1-CD1 3.72Å; Y787-I815 HydrophobicContact CD1-CG1 4.37Å; Y787-I815 HydrophobicContact CD1-CG2 3.61Å; Y787-I815 HydrophobicContact CD2-CD1 4.34Å; Y787-I815 HydrophobicContact CE1-CB 3.86Å; Y787-I815 HydrophobicContact CE1-CG2 3.87Å; Y787-I815 HydrophobicContact CG-CB 4.44Å; Y787-I815 HydrophobicContact CG-CD1 3.58Å; Y787-K817 WeakPolarHBondContact OH-CE 3.29Å |
| 788 | N | 82 | Confident | 80.3 | Confident | 15 Ų | 15 | 36.8 Ų | 36.8 | 8% | 0.08 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68 | -30.8 | 178.6 | -77.9 | -68.5 | 0 | 0 | 0 | 112.7 | I784 I785 E792 T826 F827 I828 | I784-N788 PolarHBondContact O-N 3.04Å; I784-N788 VanDerWaalsContact O-N 3.11Å; I784-N788 PolarHBondContact O-ND2 3.05Å; I785-N788 PolarHBondContact O-N 3.49Å; I785-N788 VanDerWaalsContact O-N 3.09Å; N788-E792 PolarHBondContact O-N 2.9Å; N788-E792 VanDerWaalsContact O-N 3.16Å; N788-T826 HydrophobicContact CB-CG2 4.19Å; N788-T826 WeakPolarHBondContact O-CG2 3.41Å; N788-T826 PolarHBondContact O-OG1 3.23Å; N788-T826 VanDerWaalsContact O-OG1 3.13Å; N788-F827 HydrophobicContact CB-CD1 4.45Å; N788-F827 HydrophobicContact CB-CE1 3.87Å; N788-F827 HydrophobicContact CB-CZ 4.39Å; N788-F827 WeakPolarHBondContact ND2-CE1 3.49Å; N788-I828 HydrophobicContact CB-CD1 4.13Å |
| 789 | V | 81.6 | Confident | 79 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.9 | -48.6 | 170 | 177 | 0 | 0 | 0 | 0 | 109.9 | I785 N786 Y787 Q791 E792 C793 I828 G882 R885 | I785-V789 HydrophobicContact CG2-CG2 4.32Å; I785-V789 VanDerWaalsContact O-CG2 3.32Å; I785-V789 WeakPolarHBondContact O-CG2 3.27Å; I785-V789 PolarHBondContact O-N 3.29Å; N786-V789 PolarHBondContact O-N 3.01Å; Y787-V789 VanDerWaalsContact C-N 3.31Å; Y787-V789 PolarHBondContact O-N 3.18Å; V789-Q791 PolarHBondContact O-N 3.31Å; V789-E792 PolarHBondContact O-N 3.24Å; V789-C793 WeakPolarHBondContact O-CB 3.36Å; V789-C793 PolarHBondContact O-N 3.4Å; V789-C793 PolarHBondContact O-SG 3.23Å; V789-I828 HydrophobicContact CB-CD1 4.48Å; V789-I828 HydrophobicContact CG2-CD1 3.38Å; V789-I828 HydrophobicContact CG2-CG2 4.42Å; V789-G882 VanDerWaalsContact CG2-CA 3.43Å; V789-R885 HydrophobicContact CG1-CB 4.45Å |
| 790 | E | 80.9 | Confident | 78.1 | Confident | 19 Ų | 19 | 34.1 Ų | 34.1 | 9% | 0.089 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | -179.8 | -174.2 | 177.1 | -158.5 | 0 | 0 | 111.9 | N786 Y787 E792 C793 N794 I801 S806 H808 | N786-E790 WeakPolarHBondContact O-CB 3.46Å; N786-E790 PolarHBondContact O-N 3.04Å; Y787-E790 PolarHBondContact O-N 2.94Å; E790-E792 VanDerWaalsContact C-N 3.35Å; E790-E792 PolarHBondContact O-N 3.06Å; E790-C793 CarbonylContact O-C 3.6Å; E790-C793 WeakPolarHBondContact O-CB 3.21Å; E790-C793 PolarHBondContact O-N 3.38Å; E790-C793 VanDerWaalsContact O-N 3.16Å; E790-N794 PolarHBondContact O-N 3.49Å; E790-I801 HydrophobicContact CG-CD1 4.13Å; E790-I801 WeakPolarHBondContact OE1-CD1 3.44Å; E790-I801 VanDerWaalsContact OE1-CG2 3.3Å; E790-I801 WeakPolarHBondContact OE1-CG2 3.25Å; E790-S806 WeakPolarHBondContact OE2-CB 3.29Å; E790-S806 PolarHBondContact OE2-OG 3.47Å; E790-H808 IonicContact OE2-CD2 2.7Å; E790-H808 PolarHBondContact OE2-CD2 2.96Å |
| 791 | Q | 78.4 | Confident | 77.1 | Confident | 28 Ų | 28 | 36.2 Ų | 36.2 | 13% | 0.131 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65 | -35 | 177 | -66.6 | -59.5 | -48.1 | 0 | 0 | 112.8 | Y787 V789 N794 T826 | Y787-Q791 HydrophobicContact CD1-CG 4.23Å; Y787-Q791 HydrophobicContact CD2-CG 4.28Å; Y787-Q791 HydrophobicContact CE1-CG 3.91Å; Y787-Q791 HydrophobicContact CE2-CG 3.94Å; Y787-Q791 HydrophobicContact CG-CG 4.44Å; Y787-Q791 VanDerWaalsContact O-CG 3.31Å; Y787-Q791 WeakPolarHBondContact O-CG 3.38Å; Y787-Q791 PolarHBondContact O-N 3.4Å; V789-Q791 PolarHBondContact O-N 3.31Å; Q791-N794 WeakPolarHBondContact O-CB 3.46Å; Q791-T826 HydrophobicContact CB-CG2 4.04Å |
| 792 | E | 79.1 | Confident | 76.1 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.2 | -37.7 | 172.6 | -168 | 72.8 | -168.5 | 0 | 0 | 110.9 | N788 V789 E790 N794 S795 F796 A825 T826 R833 L886 | N788-E792 PolarHBondContact O-N 2.9Å; N788-E792 VanDerWaalsContact O-N 3.16Å; V789-E792 PolarHBondContact O-N 3.24Å; E790-E792 VanDerWaalsContact C-N 3.35Å; E790-E792 PolarHBondContact O-N 3.06Å; E792-N794 VanDerWaalsContact C-N 3.27Å; E792-N794 PolarHBondContact O-N 3.15Å; E792-S795 VanDerWaalsContact O-CB 3.31Å; E792-S795 WeakPolarHBondContact O-CB 3.17Å; E792-S795 PolarHBondContact O-N 3.5Å; E792-S795 VanDerWaalsContact O-N 3.1Å; E792-S795 PolarHBondContact O-OG 3.48Å; E792-F796 WeakPolarHBondContact O-CD2 3.44Å; E792-A825 WeakPolarHBondContact OE2-CA 3.44Å; E792-A825 WeakPolarHBondContact OE2-CB 3.41Å; E792-A825 PolarHBondContact OE2-N 3.14Å; E792-T826 HydrophobicContact CB-CG2 4.45Å; E792-T826 PolarHBondContact OE2-N 3.48Å; E792-R833 IonicContact OE1-NH2 3.09Å; E792-R833 PolarHBondContact OE1-NH2 3.41Å; E792-L886 HydrophobicContact CB-CD1 3.91Å; E792-L886 HydrophobicContact CG-CD1 3.44Å; E792-L886 VanDerWaalsContact CG-CD1 3.44Å |
| 793 | C | 77.8 | Confident | 75 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -31 | 175.9 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | V789 E790 S795 F796 L797 F889 | V789-C793 WeakPolarHBondContact O-CB 3.36Å; V789-C793 PolarHBondContact O-N 3.4Å; V789-C793 PolarHBondContact O-SG 3.23Å; E790-C793 CarbonylContact O-C 3.6Å; E790-C793 WeakPolarHBondContact O-CB 3.21Å; E790-C793 PolarHBondContact O-N 3.38Å; E790-C793 VanDerWaalsContact O-N 3.16Å; C793-S795 PolarHBondContact O-N 3.33Å; C793-S795 VanDerWaalsContact O-N 3.08Å; C793-F796 WeakPolarHBondContact O-CA 3.27Å; C793-F796 WeakPolarHBondContact O-CB 3.23Å; C793-F796 PolarHBondContact O-N 3.08Å; C793-L797 PolarHBondContact O-N 3.06Å; C793-F889 HydrophobicContact CB-CD2 4.15Å; C793-F889 HydrophobicContact CB-CE2 4.09Å; C793-F889 VanDerWaalsContact SG-CD2 3.54Å |
| 794 | N | 76.7 | Confident | 73.9 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 6% | 0.059 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22.8 | 173.2 | -80.7 | -21 | 0 | 0 | 0 | 113.1 | E790 Q791 E792 F796 K800 I801 | E790-N794 PolarHBondContact O-N 3.49Å; Q791-N794 WeakPolarHBondContact O-CB 3.46Å; E792-N794 VanDerWaalsContact C-N 3.27Å; E792-N794 PolarHBondContact O-N 3.15Å; N794-F796 PolarHBondContact O-N 3.45Å; N794-K800 HydrophobicContact CB-CG 4.34Å; N794-I801 PolarHBondContact ND2-O 2.98Å; N794-I801 PolarHBondContact OD1-N 3.07Å |
| 795 | S | 70.3 | Confident | 72.9 | Confident | 70 Ų | 70 | 47 Ų | 47 | 49% | 0.49 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -15.4 | 173.3 | -58.1 | 0 | 0 | 0 | 0 | 113.4 | E792 C793 | E792-S795 VanDerWaalsContact O-CB 3.31Å; E792-S795 WeakPolarHBondContact O-CB 3.17Å; E792-S795 PolarHBondContact O-N 3.5Å; E792-S795 VanDerWaalsContact O-N 3.1Å; E792-S795 PolarHBondContact O-OG 3.48Å; C793-S795 PolarHBondContact O-N 3.33Å; C793-S795 VanDerWaalsContact O-N 3.08Å |
| 796 | F | 68.6 | Low | 72.1 | Confident | 51 Ų | 51 | 47.2 Ų | 47.2 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -6.8 | -177.5 | -56 | -89 | 0 | 0 | 0 | 112.9 | E792 C793 N794 L886 F889 M890 R893 | E792-F796 WeakPolarHBondContact O-CD2 3.44Å; C793-F796 WeakPolarHBondContact O-CA 3.27Å; C793-F796 WeakPolarHBondContact O-CB 3.23Å; C793-F796 PolarHBondContact O-N 3.08Å; N794-F796 PolarHBondContact O-N 3.45Å; F796-L886 HydrophobicContact CE2-CD1 4.25Å; F796-F889 HydrophobicContact CB-CB 4.15Å; F796-F889 HydrophobicContact CB-CD1 4.42Å; F796-F889 HydrophobicContact CD2-CB 4.31Å; F796-F889 HydrophobicContact CG-CB 4.12Å; F796-M890 HydrophobicContact CE1-CG 4.05Å; F796-M890 HydrophobicContact CZ-CG 3.81Å; F796-R893 HydrophobicContact CD1-CB 4.17Å |
| 797 | L | 69.8 | Low | 71.4 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 32% | 0.319 | 26% | 0.256 | S | S | . | . | trans | -101.7 | 149.6 | -179.4 | -63 | 174.7 | 0 | 0 | 0 | 111.2 | C793 F889 | C793-L797 PolarHBondContact O-N 3.06Å; L797-F889 HydrophobicContact CD2-CE1 3.82Å; L797-F889 HydrophobicContact CD2-CZ 4.37Å | ||
| 798 | R | 62.2 | Low | 70.8 | Confident | 196 Ų | 196 | 54.3 Ų | 54.3 | 74% | 0.74 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -78.2 | -55.8 | 172.5 | -73.5 | -174.1 | 170.8 | -155.6 | -9.3 | 111.3 | E85 K800 | E85-R798 WeakPolarHBondContact CG-O 3.46Å; R798-K800 PolarHBondContact O-N 3.27Å |
| 799 | T | 59.4 | Low | 70.2 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -80.4 | 114.7 | 170.7 | -41.8 | 0 | 0 | 0 | 0 | 108.4 | ||
| 800 | K | 68.3 | Low | 69.5 | Low | 59 Ų | 59 | 57.3 Ų | 57.3 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | trans | -88.1 | 132.8 | -177.2 | -73.4 | 174.1 | 174.6 | 155.5 | 0 | 109.2 | E85 N89 N794 R798 Q802 | E85-K800 WeakPolarHBondContact OE1-CE 3.46Å; E85-K800 IonicContact OE1-NZ 3.55Å; E85-K800 PolarHBondContact OE1-NZ 3.06Å; N89-K800 PolarHBondContact OD1-N 3.31Å; N794-K800 HydrophobicContact CB-CG 4.34Å; R798-K800 PolarHBondContact O-N 3.27Å; K800-Q802 PolarHBondContact O-N 2.92Å; K800-Q802 VanDerWaalsContact O-N 3.12Å | ||
| 801 | I | 66.1 | Low | 68.5 | Low | 49 Ų | 49 | 62.2 Ų | 62.2 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | trans | -75.8 | 109.1 | 174.8 | -54.9 | 173.7 | 0 | 0 | 0 | 107.6 | E790 N794 Q805 | E790-I801 HydrophobicContact CG-CD1 4.13Å; E790-I801 WeakPolarHBondContact OE1-CD1 3.44Å; E790-I801 VanDerWaalsContact OE1-CG2 3.3Å; E790-I801 WeakPolarHBondContact OE1-CG2 3.25Å; N794-I801 PolarHBondContact ND2-O 2.98Å; N794-I801 PolarHBondContact OD1-N 3.07Å; I801-Q805 HydrophobicContact CG2-CB 3.83Å | ||
| 802 | Q | 65.1 | Low | 67.7 | Low | 40 Ų | 40 | 65.9 Ų | 65.9 | 19% | 0.187 | 33% | 0.333 | C | S | . | . | trans | -72 | 161.5 | 178.7 | -58.1 | -125.6 | 33 | 0 | 0 | 110.6 | N89 K800 W804 Q805 S806 | N89-Q802 PolarHBondContact O-NE2 2.92Å; K800-Q802 PolarHBondContact O-N 2.92Å; K800-Q802 VanDerWaalsContact O-N 3.12Å; Q802-W804 HydrophobicContact CB-CD2 3.94Å; Q802-W804 HydrophobicContact CB-CE3 4.25Å; Q802-W804 HydrophobicContact CB-CH2 3.89Å; Q802-W804 HydrophobicContact CB-CZ2 3.57Å; Q802-W804 HydrophobicContact CB-CZ3 4.24Å; Q802-W804 HydrophobicContact CG-CH2 3.96Å; Q802-W804 HydrophobicContact CG-CZ2 3.61Å; Q802-W804 PolarHBondContact O-N 2.93Å; Q802-Q805 HydrophobicContact CB-CG 4.49Å; Q802-Q805 PolarHBondContact O-N 2.99Å; Q802-S806 PolarHBondContact O-N 3.42Å | ||
| 803 | D | 63.4 | Low | 67.2 | Low | 53 Ų | 53 | 66.3 Ų | 66.3 | 28% | 0.283 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -29.2 | -175 | -68.4 | -7.5 | 0 | 0 | 0 | 113.3 | Y787 Q809 K817 | Y787-D803 PolarHBondContact OH-OD1 3.44Å; D803-Q809 HydrophobicContact CB-CG 4.35Å; D803-Q809 VanDerWaalsContact O-CB 3.29Å; D803-Q809 WeakPolarHBondContact O-CB 3.09Å; D803-K817 VanDerWaalsContact OD1-CE 3.25Å; D803-K817 WeakPolarHBondContact OD1-CE 3.31Å; D803-K817 IonicContact OD1-NZ 3.45Å; D803-K817 PolarHBondContact OD1-NZ 3.43Å; D803-K817 WeakPolarHBondContact OD2-CE 3.48Å; D803-K817 IonicContact OD2-NZ 3.46Å; D803-K817 PolarHBondContact OD2-NZ 3.33Å |
| 804 | W | 62.3 | Low | 67 | Low | 121 Ų | 121 | 69 Ų | 69 | 46% | 0.458 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -15.2 | 174.5 | 61.1 | 79.9 | 0 | 0 | 0 | 113.9 | I93 Q802 | I93-W804 HydrophobicContact CD1-CH2 3.02Å; I93-W804 HydrophobicContact CD1-CZ2 3.31Å; I93-W804 HydrophobicContact CD1-CZ3 3.98Å; I93-W804 HydrophobicContact CG1-CH2 3.93Å; I93-W804 HydrophobicContact CG1-CZ2 3.79Å; Q802-W804 HydrophobicContact CB-CD2 3.94Å; Q802-W804 HydrophobicContact CB-CE3 4.25Å; Q802-W804 HydrophobicContact CB-CH2 3.89Å; Q802-W804 HydrophobicContact CB-CZ2 3.57Å; Q802-W804 HydrophobicContact CB-CZ3 4.24Å; Q802-W804 HydrophobicContact CG-CH2 3.96Å; Q802-W804 HydrophobicContact CG-CZ2 3.61Å; Q802-W804 PolarHBondContact O-N 2.93Å |
| 805 | Q | 64.1 | Low | 67.1 | Low | 87 Ų | 87 | 68.6 Ų | 68.6 | 41% | 0.407 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -22.6 | 177.3 | -67.2 | 175.5 | -21.1 | 0 | 0 | 112.1 | I801 Q802 V807 | I801-Q805 HydrophobicContact CG2-CB 3.83Å; Q802-Q805 HydrophobicContact CB-CG 4.49Å; Q802-Q805 PolarHBondContact O-N 2.99Å; Q805-V807 PolarHBondContact O-N 2.8Å |
| 806 | S | 69.4 | Low | 67.1 | Low | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | trans | -66.8 | 123.7 | 178.3 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | E790 Q802 H808 Q809 | E790-S806 WeakPolarHBondContact OE2-CB 3.29Å; E790-S806 PolarHBondContact OE2-OG 3.47Å; Q802-S806 PolarHBondContact O-N 3.42Å; S806-H808 PolarHBondContact O-N 3.43Å; S806-H808 VanDerWaalsContact O-N 3.16Å; S806-H808 PolarHBondContact OG-N 3.35Å; S806-Q809 PolarHBondContact O-N 3.33Å | ||
| 807 | V | 70.1 | Confident | 67.1 | Low | 135 Ų | 135 | 70.2 Ų | 70.2 | 82% | 0.818 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.6 | 174 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | Q805 | Q805-V807 PolarHBondContact O-N 2.8Š|
| 808 | H | 70.5 | Confident | 67.2 | Low | 52 Ų | 52 | 70.1 Ų | 70.1 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -12.5 | -177.6 | -56.2 | -56.9 | 0 | 0 | 0 | 113.2 | R783 Y787 E790 S806 | R783-H808 HydrophobicContact CG-CB 4.2Å; R783-H808 WeakPolarHBondContact CG-O 3.36Å; R783-H808 VanDerWaalsContact CZ-O 3.3Å; R783-H808 PolarHBondContact NE-O 2.91Å; R783-H808 PolarHBondContact NH2-O 2.86Å; Y787-H808 HydrophobicContact CD2-CB 4.35Å; E790-H808 IonicContact OE2-CD2 2.7Å; E790-H808 PolarHBondContact OE2-CD2 2.96Å; S806-H808 PolarHBondContact O-N 3.43Å; S806-H808 VanDerWaalsContact O-N 3.16Å; S806-H808 PolarHBondContact OG-N 3.35Å |
| 809 | Q | 70.3 | Confident | 67.3 | Low | 41 Ų | 41 | 66 Ų | 66 | 19% | 0.192 | 35% | 0.348 | C | S | . | . | trans | -96.3 | 130.3 | 176.4 | -170.2 | 69.8 | -29.8 | 0 | 0 | 110.3 | Y787 D803 S806 I815 | Y787-Q809 HydrophobicContact CD2-CB 4.25Å; Y787-Q809 HydrophobicContact CE2-CB 3.89Å; Y787-Q809 HydrophobicContact CE2-CG 4.3Å; D803-Q809 HydrophobicContact CB-CG 4.35Å; D803-Q809 VanDerWaalsContact O-CB 3.29Å; D803-Q809 WeakPolarHBondContact O-CB 3.09Å; S806-Q809 PolarHBondContact O-N 3.33Å; Q809-I815 PolarHBondContact NE2-O 3.34Å | ||
| 810 | S | 66.8 | Low | 67.5 | Low | 38 Ų | 38 | 66.2 Ų | 66.2 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | trans | -115 | 138.9 | 178.1 | 175.2 | 0 | 0 | 0 | 0 | 107.7 | H812 I813 P814 | S810-H812 PolarHBondContact O-N 3.33Å; S810-H812 PolarHBondContact OG-N 3.15Å; S810-I813 CarbonylContact O-C 3.56Å; S810-P814 WeakPolarHBondContact O-CA 3.02Å | ||
| 811 | T | 59.7 | Low | 67.1 | Low | 122 Ų | 122 | 67.6 Ų | 67.6 | 75% | 0.748 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -61.7 | -31.8 | 174.1 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 812 | H | 61.6 | Low | 66.8 | Low | 106 Ų | 106 | 68.8 Ų | 68.8 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -86 | -36.3 | -177.4 | -59.4 | -55.4 | 0 | 0 | 0 | 113.3 | S810 P814 | S810-H812 PolarHBondContact O-N 3.33Å; S810-H812 PolarHBondContact OG-N 3.15Å; H812-P814 VanDerWaalsContact C-CD 3.48Å; H812-P814 WeakPolarHBondContact O-CD 3.22Å |
| 813 | I | 69.7 | Low | 66.6 | Low | 10 Ų | 10 | 75.4 Ų | 75.4 | 5% | 0.051 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -123.5 | 74.8 | -177.9 | -56.8 | 161.9 | 0 | 0 | 0 | 107.6 | R718 K719 V722 R783 S810 | R718-I813 HydrophobicContact CB-CD1 3.67Å; R718-I813 HydrophobicContact CB-CG1 4.41Å; R718-I813 HydrophobicContact CB-CG2 4.44Å; R718-I813 HydrophobicContact CG-CD1 4.35Å; K719-I813 HydrophobicContact CB-CG2 4.35Å; V722-I813 HydrophobicContact CB-CG2 4.36Å; V722-I813 HydrophobicContact CG2-CG2 3.94Å; R783-I813 VanDerWaalsContact NH1-CG2 3.35Å; R783-I813 PolarHBondContact NH1-O 3.27Å; R783-I813 PolarHBondContact NH2-O 3.08Å; S810-I813 CarbonylContact O-C 3.56Å |
| 814 | P | 73.3 | Confident | 66.7 | Low | 58 Ų | 58 | 73.1 Ų | 73.1 | 38% | 0.377 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -73 | 134.4 | -177.9 | 28.7 | -34.2 | 0 | 0 | 0 | 110.5 | S810 H812 | S810-P814 WeakPolarHBondContact O-CA 3.02Å; H812-P814 VanDerWaalsContact C-CD 3.48Å; H812-P814 WeakPolarHBondContact O-CD 3.22Å |
| 815 | I | 77.3 | Confident | 66.8 | Low | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.015 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 124.1 | 169.8 | -60.3 | 164.4 | 0 | 0 | 0 | 107.5 | V722 R783 Y787 Q809 K817 | V722-I815 HydrophobicContact CG1-CB 4.3Å; V722-I815 HydrophobicContact CG1-CG1 3.87Å; V722-I815 HydrophobicContact CG1-CG2 4.48Å; R783-I815 HydrophobicContact CG-CD1 4.22Å; Y787-I815 VanDerWaalsContact CB-CD1 3.43Å; Y787-I815 HydrophobicContact CD1-CB 3.78Å; Y787-I815 HydrophobicContact CD1-CD1 3.72Å; Y787-I815 HydrophobicContact CD1-CG1 4.37Å; Y787-I815 HydrophobicContact CD1-CG2 3.61Å; Y787-I815 HydrophobicContact CD2-CD1 4.34Å; Y787-I815 HydrophobicContact CE1-CB 3.86Å; Y787-I815 HydrophobicContact CE1-CG2 3.87Å; Y787-I815 HydrophobicContact CG-CB 4.44Å; Y787-I815 HydrophobicContact CG-CD1 3.58Å; Q809-I815 PolarHBondContact NE2-O 3.34Å; I815-K817 PolarHBondContact O-N 3.49Å |
| 816 | P | 72.3 | Confident | 67.6 | Low | 38 Ų | 38 | 66 Ų | 66 | 25% | 0.247 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 133.6 | -176.9 | 26.7 | -33.7 | 0 | 0 | 0 | 111 | A726 F818 | A726-P816 HydrophobicContact CB-CG 3.81Å; P816-F818 HydrophobicContact CB-CE2 4.48Å; P816-F818 HydrophobicContact CB-CZ 4.18Å; P816-F818 HydrophobicContact CG-CE2 4.13Å; P816-F818 HydrophobicContact CG-CZ 3.9Å |
| 817 | K | 67.8 | Low | 68.1 | Low | 117 Ų | 117 | 65.9 Ų | 65.9 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 131.8 | 165.8 | -68.4 | -174 | 177.3 | 177.9 | 0 | 109.1 | Y787 D803 I815 | Y787-K817 WeakPolarHBondContact OH-CE 3.29Å; D803-K817 VanDerWaalsContact OD1-CE 3.25Å; D803-K817 WeakPolarHBondContact OD1-CE 3.31Å; D803-K817 IonicContact OD1-NZ 3.45Å; D803-K817 PolarHBondContact OD1-NZ 3.43Å; D803-K817 WeakPolarHBondContact OD2-CE 3.48Å; D803-K817 IonicContact OD2-NZ 3.46Å; D803-K817 PolarHBondContact OD2-NZ 3.33Å; I815-K817 PolarHBondContact O-N 3.49Å |
| 818 | F | 71.9 | Confident | 68.7 | Low | 59 Ų | 59 | 59.5 Ų | 59.5 | 26% | 0.259 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -102 | 148.5 | 173.8 | -60.6 | -74.4 | 0 | 0 | 0 | 109.5 | A726 Y727 H730 P816 | A726-F818 HydrophobicContact CB-CE2 4.03Å; A726-F818 HydrophobicContact CB-CZ 4.41Å; A726-F818 WeakPolarHBondContact O-CE2 3.3Å; Y727-F818 HydrophobicContact CD2-CE1 4.04Å; Y727-F818 HydrophobicContact CD2-CZ 4.34Å; H730-F818 HydrophobicContact CB-CD2 3.6Å; H730-F818 HydrophobicContact CB-CE2 3.72Å; H730-F818 HydrophobicContact CB-CG 4.1Å; H730-F818 HydrophobicContact CB-CZ 4.33Å; H730-F818 AromaticContact CD2-CG 3.88Å; H730-F818 VanDerWaalsContact CE1-CB 3.43Å; H730-F818 WeakPolarHBondContact CE1-CB 3.28Å; H730-F818 AromaticContact CG-CD2 3.6Å; H730-F818 AromaticContact CG-CG 3.64Å; H730-F818 AromaticContact ND1-CD2 3.79Å; H730-F818 AromaticContact ND1-CG 3.78Å; P816-F818 HydrophobicContact CB-CE2 4.48Å; P816-F818 HydrophobicContact CB-CZ 4.18Å; P816-F818 HydrophobicContact CG-CE2 4.13Å; P816-F818 HydrophobicContact CG-CZ 3.9Å |
| 819 | P | 63.8 | Low | 69.2 | Low | 109 Ų | 109 | 57.1 Ų | 57.1 | 71% | 0.708 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 142.4 | 175.5 | 26 | -33.8 | 0 | 0 | 0 | 110.5 | V821 | P819-V821 PolarHBondContact O-N 2.85Š|
| 820 | S | 62.8 | Low | 69.8 | Low | 87 Ų | 87 | 55.7 Ų | 55.7 | 61% | 0.608 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -64 | 121.6 | 178.4 | -55.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 821 | V | 61.1 | Low | 70.6 | Confident | 88 Ų | 88 | 53.9 Ų | 53.9 | 53% | 0.533 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -88.6 | -29.6 | 177.1 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | P819 | P819-V821 PolarHBondContact O-N 2.85Š|
| 822 | D | 59.6 | Low | 71.8 | Confident | 75 Ų | 75 | 48.3 Ų | 48.3 | 40% | 0.401 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -133.4 | -172.8 | -178.9 | -66.3 | -46.1 | 0 | 0 | 0 | 110.3 | S824 | D822-S824 PolarHBondContact O-N 3.47Š|
| 823 | E | 60.6 | Low | 72.8 | Confident | 179 Ų | 179 | 47 Ų | 47 | 84% | 0.836 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -61.2 | -5 | 170.1 | -68.8 | 179.8 | 176.1 | 0 | 0 | 114.3 | R833 | E823-R833 PolarHBondContact O-NH1 2.92Å; E823-R833 VanDerWaalsContact O-NH1 3.14Å; E823-R833 PolarHBondContact O-NH2 3.33Å; E823-R833 IonicContact OE2-NH1 3.63Å; E823-R833 PolarHBondContact OE2-NH1 3.36Å |
| 824 | S | 66.2 | Low | 73.4 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | trans | -96.2 | 138 | 174.2 | -56.5 | 0 | 0 | 0 | 0 | 110.6 | D822 R830 R833 | D822-S824 PolarHBondContact O-N 3.47Å; S824-R830 PolarHBondContact OG-N 3.23Å; S824-R833 VanDerWaalsContact OG-CD 3.31Å; S824-R833 WeakPolarHBondContact OG-CD 3.4Å; S824-R833 PolarHBondContact OG-NE 2.79Å; S824-R833 PolarHBondContact OG-NH2 3.46Å | ||
| 825 | A | 64.9 | Low | 74 | Confident | 45 Ų | 45 | 44.9 Ų | 44.9 | 37% | 0.372 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -75.8 | -32.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E792 | E792-A825 WeakPolarHBondContact OE2-CA 3.44Å; E792-A825 WeakPolarHBondContact OE2-CB 3.41Å; E792-A825 PolarHBondContact OE2-N 3.14Å |
| 826 | T | 79.8 | Confident | 74.3 | Confident | 12 Ų | 12 | 45.8 Ų | 45.8 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -129.6 | 170.9 | -175 | 77.5 | 0 | 0 | 0 | 0 | 114.5 | N788 Q791 E792 I828 G829 R830 | N788-T826 HydrophobicContact CB-CG2 4.19Å; N788-T826 WeakPolarHBondContact O-CG2 3.41Å; N788-T826 PolarHBondContact O-OG1 3.23Å; N788-T826 VanDerWaalsContact O-OG1 3.13Å; Q791-T826 HydrophobicContact CB-CG2 4.04Å; E792-T826 HydrophobicContact CB-CG2 4.45Å; E792-T826 PolarHBondContact OE2-N 3.48Å; T826-I828 VanDerWaalsContact C-N 3.28Å; T826-I828 PolarHBondContact O-N 2.63Å; T826-G829 PolarHBondContact O-N 3.06Å; T826-R830 PolarHBondContact O-N 3.09Å |
| 827 | F | 80.3 | Confident | 74.9 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 2% | 0.022 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.7 | -29.5 | 178.8 | 71.9 | -97.3 | 0 | 0 | 0 | 113.2 | L729 L733 N788 R830 L831 L875 | L729-F827 HydrophobicContact CB-CD1 4.03Å; L729-F827 HydrophobicContact CB-CD2 4.39Å; L729-F827 HydrophobicContact CB-CE1 4.04Å; L729-F827 HydrophobicContact CB-CE2 4.39Å; L729-F827 HydrophobicContact CB-CG 4.21Å; L729-F827 HydrophobicContact CB-CZ 4.24Å; L729-F827 HydrophobicContact CD1-CE1 3.94Å; L729-F827 HydrophobicContact CD1-CE2 4.25Å; L729-F827 HydrophobicContact CD1-CZ 3.67Å; L729-F827 HydrophobicContact CD2-CE2 4.34Å; L729-F827 HydrophobicContact CG-CZ 4.38Å; L733-F827 HydrophobicContact CB-CB 4.27Å; L733-F827 HydrophobicContact CD1-CB 4.4Å; L733-F827 HydrophobicContact CD1-CD2 3.46Å; L733-F827 VanDerWaalsContact CD1-CD2 3.46Å; L733-F827 HydrophobicContact CD1-CE2 4.11Å; L733-F827 HydrophobicContact CD1-CG 4.27Å; N788-F827 HydrophobicContact CB-CD1 4.45Å; N788-F827 HydrophobicContact CB-CE1 3.87Å; N788-F827 HydrophobicContact CB-CZ 4.39Å; N788-F827 WeakPolarHBondContact ND2-CE1 3.49Å; F827-R830 PolarHBondContact O-N 2.7Å; F827-L831 WeakPolarHBondContact O-CB 3.27Å; F827-L831 PolarHBondContact O-N 2.97Å; F827-L875 HydrophobicContact CE2-CD2 3.97Å |
| 828 | I | 82.1 | Confident | 75.5 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.6 | -39.7 | 178.2 | -62.6 | 179 | 0 | 0 | 0 | 109.8 | I785 N788 V789 T826 R830 L831 C832 L883 | I785-I828 HydrophobicContact CG2-CD1 3.91Å; N788-I828 HydrophobicContact CB-CD1 4.13Å; V789-I828 HydrophobicContact CB-CD1 4.48Å; V789-I828 HydrophobicContact CG2-CD1 3.38Å; V789-I828 HydrophobicContact CG2-CG2 4.42Å; T826-I828 VanDerWaalsContact C-N 3.28Å; T826-I828 PolarHBondContact O-N 2.63Å; I828-R830 VanDerWaalsContact C-N 3.34Å; I828-R830 PolarHBondContact O-N 2.74Å; I828-L831 PolarHBondContact O-N 3.18Å; I828-C832 WeakPolarHBondContact O-CB 3.3Å; I828-C832 PolarHBondContact O-N 3.08Å; I828-L883 HydrophobicContact CG2-CD2 3.83Å; I828-L883 HydrophobicContact CG2-CG 4.42Å |
| 829 | G | 81.1 | Confident | 75.9 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T826 C832 R833 | T826-G829 PolarHBondContact O-N 3.06Å; G829-C832 PolarHBondContact O-N 2.97Å; G829-R833 WeakPolarHBondContact O-CB 3.39Å; G829-R833 VanDerWaalsContact O-CG 3.3Å; G829-R833 WeakPolarHBondContact O-CG 3.49Å; G829-R833 PolarHBondContact O-N 3.35Å |
| 830 | R | 82.4 | Confident | 76.8 | Confident | 12 Ų | 12 | 38.3 Ų | 38.3 | 5% | 0.045 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 175.2 | -65.2 | -175.3 | -56.3 | -161.7 | 0.7 | 112.3 | H730 L733 T734 F735 S824 T826 F827 I828 R833 E834 | H730-R830 PolarHBondContact O-NH2 3.32Å; L733-R830 PolarHBondContact O-NE 3.16Å; L733-R830 PolarHBondContact O-NH2 3.48Å; L733-R830 VanDerWaalsContact O-NH2 3.08Å; T734-R830 VanDerWaalsContact CG2-NH1 3.28Å; F735-R830 HydrophobicContact CD2-CB 4.37Å; S824-R830 PolarHBondContact OG-N 3.23Å; T826-R830 PolarHBondContact O-N 3.09Å; F827-R830 PolarHBondContact O-N 2.7Å; I828-R830 VanDerWaalsContact C-N 3.34Å; I828-R830 PolarHBondContact O-N 2.74Å; R830-R833 PolarHBondContact O-N 3.1Å; R830-E834 WeakPolarHBondContact O-CB 3.18Å; R830-E834 PolarHBondContact O-N 3.32Å |
| 831 | L | 83.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.5 | -48.8 | 175.9 | 178.9 | 62.4 | 0 | 0 | 0 | 111.2 | F735 L744 L748 F827 I828 R833 E834 I835 L875 L883 | F735-L831 HydrophobicContact CZ-CD1 4.31Å; L744-L831 HydrophobicContact CD1-CD1 3.56Å; L748-L831 HydrophobicContact CD2-CD1 4.48Å; F827-L831 WeakPolarHBondContact O-CB 3.27Å; F827-L831 PolarHBondContact O-N 2.97Å; I828-L831 PolarHBondContact O-N 3.18Å; L831-R833 PolarHBondContact O-N 3.43Å; L831-E834 PolarHBondContact O-N 2.71Å; L831-I835 HydrophobicContact CD1-CD1 4.08Å; L831-I835 HydrophobicContact CD1-CG1 4.42Å; L831-I835 HydrophobicContact CG-CD1 3.95Å; L831-I835 VanDerWaalsContact O-CG1 3.27Å; L831-I835 WeakPolarHBondContact O-CG1 3.33Å; L831-I835 PolarHBondContact O-N 3.06Å; L831-L875 HydrophobicContact CD2-CD1 3.55Å; L831-L883 HydrophobicContact CD2-CD1 4.04Å; L831-L883 HydrophobicContact CD2-CD2 4.37Å; L831-L883 HydrophobicContact CG-CD2 4.48Å |
| 832 | C | 84.9 | Confident | 78.2 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -43 | 179.7 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | I828 G829 I835 L836 L883 L886 | I828-C832 WeakPolarHBondContact O-CB 3.3Å; I828-C832 PolarHBondContact O-N 3.08Å; G829-C832 PolarHBondContact O-N 2.97Å; C832-I835 PolarHBondContact O-N 3.04Å; C832-L836 VanDerWaalsContact O-CG 3.3Å; C832-L836 WeakPolarHBondContact O-CG 3.36Å; C832-L836 PolarHBondContact O-N 3.34Å; C832-L883 HydrophobicContact CB-CD2 3.87Å; C832-L886 HydrophobicContact CB-CD2 3.43Å; C832-L886 VanDerWaalsContact CB-CD2 3.43Å |
| 833 | R | 83.7 | Confident | 79 | Confident | 79 Ų | 79 | 34.8 Ų | 34.8 | 30% | 0.298 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.2 | -37 | 178.7 | -70.5 | -179.2 | -157.4 | -172.5 | 16.2 | 112.2 | E792 E823 S824 G829 R830 L831 L836 R837 | E792-R833 IonicContact OE1-NH2 3.09Å; E792-R833 PolarHBondContact OE1-NH2 3.41Å; E823-R833 PolarHBondContact O-NH1 2.92Å; E823-R833 VanDerWaalsContact O-NH1 3.14Å; E823-R833 PolarHBondContact O-NH2 3.33Å; E823-R833 IonicContact OE2-NH1 3.63Å; E823-R833 PolarHBondContact OE2-NH1 3.36Å; S824-R833 VanDerWaalsContact OG-CD 3.31Å; S824-R833 WeakPolarHBondContact OG-CD 3.4Å; S824-R833 PolarHBondContact OG-NE 2.79Å; S824-R833 PolarHBondContact OG-NH2 3.46Å; G829-R833 WeakPolarHBondContact O-CB 3.39Å; G829-R833 VanDerWaalsContact O-CG 3.3Å; G829-R833 WeakPolarHBondContact O-CG 3.49Å; G829-R833 PolarHBondContact O-N 3.35Å; R830-R833 PolarHBondContact O-N 3.1Å; L831-R833 PolarHBondContact O-N 3.43Å; R833-L836 PolarHBondContact O-N 2.98Å; R833-R837 WeakPolarHBondContact O-CB 3.49Å; R833-R837 PolarHBondContact O-N 3.21Å |
| 834 | E | 81.9 | Confident | 79.9 | Confident | 14 Ų | 14 | 26.5 Ų | 26.5 | 7% | 0.065 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.4 | -41.6 | 174.5 | -170.2 | 66.7 | -179 | 0 | 0 | 111.4 | F735 R830 L831 L836 R837 I838 | F735-E834 HydrophobicContact CB-CG 4.2Å; F735-E834 HydrophobicContact CD1-CG 3.98Å; F735-E834 HydrophobicContact CD2-CB 3.8Å; F735-E834 HydrophobicContact CD2-CG 4.01Å; F735-E834 HydrophobicContact CE1-CG 4.39Å; F735-E834 HydrophobicContact CE2-CB 4.13Å; F735-E834 HydrophobicContact CE2-CG 4.41Å; F735-E834 HydrophobicContact CG-CB 4.09Å; F735-E834 HydrophobicContact CG-CG 3.78Å; R830-E834 WeakPolarHBondContact O-CB 3.18Å; R830-E834 PolarHBondContact O-N 3.32Å; L831-E834 PolarHBondContact O-N 2.71Å; E834-L836 VanDerWaalsContact C-N 3.34Å; E834-L836 PolarHBondContact O-N 2.98Å; E834-R837 VanDerWaalsContact CD-CZ 3.42Å; E834-R837 WeakPolarHBondContact O-CB 3.39Å; E834-R837 PolarHBondContact O-N 2.92Å; E834-R837 IonicContact OE1-CZ 3.84Å; E834-R837 IonicContact OE1-NE 3.49Å; E834-R837 IonicContact OE1-NH1 3.51Å; E834-R837 PolarHBondContact OE1-NH1 3.3Å; E834-R837 VanDerWaalsContact OE1-NH1 3.16Å; E834-R837 IonicContact OE1-NH2 3.45Å; E834-R837 PolarHBondContact OE1-NH2 3.34Å; E834-R837 IonicContact OE2-CZ 3.64Å; E834-R837 IonicContact OE2-NE 3.33Å; E834-R837 IonicContact OE2-NH1 2.63Å; E834-R837 PolarHBondContact OE2-NH1 3.37Å; E834-R837 IonicContact OE2-NH2 2.96Å; E834-I838 HydrophobicContact CG-CD1 3.87Å; E834-I838 WeakPolarHBondContact O-CB 3.46Å; E834-I838 WeakPolarHBondContact O-CD1 3.48Å; E834-I838 VanDerWaalsContact O-CG1 3.25Å; E834-I838 WeakPolarHBondContact O-CG1 3.32Å; E834-I838 PolarHBondContact O-N 3.26Å |
| 835 | I | 85.1 | Confident | 80.6 | Confident | 9 Ų | 9 | 27.9 Ų | 27.9 | 5% | 0.046 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 172.9 | -67.4 | 165.8 | 0 | 0 | 0 | 110.6 | L744 L831 C832 R837 I838 T839 I871 L883 L964 | L744-I835 HydrophobicContact CD2-CG1 4.02Å; L831-I835 HydrophobicContact CD1-CD1 4.08Å; L831-I835 HydrophobicContact CD1-CG1 4.42Å; L831-I835 HydrophobicContact CG-CD1 3.95Å; L831-I835 VanDerWaalsContact O-CG1 3.27Å; L831-I835 WeakPolarHBondContact O-CG1 3.33Å; L831-I835 PolarHBondContact O-N 3.06Å; C832-I835 PolarHBondContact O-N 3.04Å; I835-R837 VanDerWaalsContact C-N 3.34Å; I835-R837 PolarHBondContact O-N 2.69Å; I835-I838 PolarHBondContact O-N 3.16Å; I835-T839 WeakPolarHBondContact O-CB 3.49Å; I835-T839 PolarHBondContact O-N 2.99Å; I835-T839 PolarHBondContact O-OG1 2.91Å; I835-I871 HydrophobicContact CD1-CD1 3.78Å; I835-L883 HydrophobicContact CD1-CD1 4.41Å; I835-L964 HydrophobicContact CG2-CD1 3.93Å; I835-L964 HydrophobicContact CG2-CD2 3.88Å |
| 836 | L | 84.9 | Confident | 81.4 | Confident | 23 Ų | 23 | 26 Ų | 26 | 12% | 0.12 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.9 | -34.2 | 177.6 | -71 | 171.4 | 0 | 0 | 0 | 112.7 | C832 R833 E834 D840 L887 M890 Q960 M961 L964 | C832-L836 VanDerWaalsContact O-CG 3.3Å; C832-L836 WeakPolarHBondContact O-CG 3.36Å; C832-L836 PolarHBondContact O-N 3.34Å; R833-L836 PolarHBondContact O-N 2.98Å; E834-L836 VanDerWaalsContact C-N 3.34Å; E834-L836 PolarHBondContact O-N 2.98Å; L836-D840 PolarHBondContact O-N 2.9Å; L836-D840 VanDerWaalsContact O-N 3.17Å; L836-L887 HydrophobicContact CD2-CD2 4.39Å; L836-M890 HydrophobicContact CD1-CE 3.46Å; L836-M890 VanDerWaalsContact CD1-CE 3.46Å; L836-M890 HydrophobicContact CD1-SD 4.05Å; L836-Q960 HydrophobicContact CD2-CG 4.42Å; L836-Q960 PolarHBondContact O-NE2 2.66Å; L836-M961 HydrophobicContact CD2-CG 3.99Å; L836-L964 HydrophobicContact CD2-CD1 3.67Å |
| 837 | R | 83.7 | Confident | 81.4 | Confident | 93 Ų | 93 | 26.5 Ų | 26.5 | 35% | 0.351 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -66.5 | -44 | 175.4 | -168.6 | -170.7 | 88.9 | -164.8 | 5.1 | 111.4 | S736 R833 E834 I835 T839 | S736-R837 PolarHBondContact O-NH1 2.97Å; R833-R837 WeakPolarHBondContact O-CB 3.49Å; R833-R837 PolarHBondContact O-N 3.21Å; E834-R837 VanDerWaalsContact CD-CZ 3.42Å; E834-R837 WeakPolarHBondContact O-CB 3.39Å; E834-R837 PolarHBondContact O-N 2.92Å; E834-R837 IonicContact OE1-CZ 3.84Å; E834-R837 IonicContact OE1-NE 3.49Å; E834-R837 IonicContact OE1-NH1 3.51Å; E834-R837 PolarHBondContact OE1-NH1 3.3Å; E834-R837 VanDerWaalsContact OE1-NH1 3.16Å; E834-R837 IonicContact OE1-NH2 3.45Å; E834-R837 PolarHBondContact OE1-NH2 3.34Å; E834-R837 IonicContact OE2-CZ 3.64Å; E834-R837 IonicContact OE2-NE 3.33Å; E834-R837 IonicContact OE2-NH1 2.63Å; E834-R837 PolarHBondContact OE2-NH1 3.37Å; E834-R837 IonicContact OE2-NH2 2.96Å; I835-R837 VanDerWaalsContact C-N 3.34Å; I835-R837 PolarHBondContact O-N 2.69Å; R837-T839 VanDerWaalsContact C-N 3.31Å |
| 838 | I | 81.3 | Confident | 81.2 | Confident | 14 Ų | 14 | 27.9 Ų | 27.9 | 7% | 0.072 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -71.2 | -30.4 | -178.4 | -68.2 | 163.9 | 0 | 0 | 0 | 111.1 | S742 L744 E834 I835 T844 V862 T863 | S742-I838 WeakPolarHBondContact OG-CD1 3.37Å; L744-I838 HydrophobicContact CB-CD1 3.91Å; L744-I838 HydrophobicContact CD2-CD1 3.72Å; L744-I838 HydrophobicContact CG-CD1 4.46Å; E834-I838 HydrophobicContact CG-CD1 3.87Å; E834-I838 WeakPolarHBondContact O-CB 3.46Å; E834-I838 WeakPolarHBondContact O-CD1 3.48Å; E834-I838 VanDerWaalsContact O-CG1 3.25Å; E834-I838 WeakPolarHBondContact O-CG1 3.32Å; E834-I838 PolarHBondContact O-N 3.26Å; I835-I838 PolarHBondContact O-N 3.16Å; I838-T844 WeakPolarHBondContact O-CG2 3.33Å; I838-V862 HydrophobicContact CG2-CG1 3.2Å; I838-T863 HydrophobicContact CG2-CG2 3.7Å |
| 839 | T | 81 | Confident | 80.9 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 19.4 | 179.7 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | I835 R837 P841 T844 W853 Q960 L964 | I835-T839 WeakPolarHBondContact O-CB 3.49Å; I835-T839 PolarHBondContact O-N 2.99Å; I835-T839 PolarHBondContact O-OG1 2.91Å; R837-T839 VanDerWaalsContact C-N 3.31Å; T839-P841 VanDerWaalsContact O-CD 3.27Å; T839-P841 WeakPolarHBondContact O-CD 3.28Å; T839-T844 PolarHBondContact O-OG1 3.01Å; T839-W853 HydrophobicContact CG2-CD2 3.94Å; T839-W853 HydrophobicContact CG2-CG 4.01Å; T839-W853 HydrophobicContact CG2-CZ2 4.25Å; T839-Q960 VanDerWaalsContact O-CD 3.31Å; T839-Q960 PolarHBondContact O-NE2 2.83Å; T839-Q960 PolarHBondContact OG1-NE2 3.23Å; T839-L964 HydrophobicContact CG2-CD2 4.34Å |
| 840 | D | 81.3 | Confident | 80.6 | Confident | 55 Ų | 55 | 38.3 Ų | 38.3 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | trans | -59.4 | 120.5 | -177.8 | -174.1 | -13.3 | 0 | 0 | 0 | 110.2 | L836 K842 V843 T844 | L836-D840 PolarHBondContact O-N 2.9Å; L836-D840 VanDerWaalsContact O-N 3.17Å; D840-K842 PolarHBondContact O-N 3.39Å; D840-K842 WeakPolarHBondContact OD1-CB 3.33Å; D840-K842 PolarHBondContact OD1-N 3.08Å; D840-V843 PolarHBondContact O-N 3.4Å; D840-T844 PolarHBondContact O-N 3.42Å; D840-T844 PolarHBondContact O-OG1 2.65Å | ||
| 841 | P | 76.2 | Confident | 80.5 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.032 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -10.9 | 179.2 | -26.4 | 37 | 0 | 0 | 0 | 115 | T839 M956 Q960 D1079 | T839-P841 VanDerWaalsContact O-CD 3.27Å; T839-P841 WeakPolarHBondContact O-CD 3.28Å; P841-M956 HydrophobicContact CB-CB 4.3Å; P841-M956 HydrophobicContact CB-CE 3.25Å; P841-M956 HydrophobicContact CG-CB 4.42Å; P841-M956 HydrophobicContact CG-CE 4.42Å; P841-Q960 VanDerWaalsContact CD-OE1 3.24Å; P841-Q960 HydrophobicContact CG-CB 3.83Å; P841-Q960 HydrophobicContact CG-CG 4.11Å; P841-D1079 HydrophobicContact CB-CB 4.31Å |
| 842 | K | 77.4 | Confident | 80.4 | Confident | 96 Ų | 96 | 40.7 Ų | 40.7 | 42% | 0.417 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -25 | 173.1 | -67.6 | -179.8 | 177.9 | 175.8 | 0 | 113.1 | D840 E953 P1077 | D840-K842 PolarHBondContact O-N 3.39Å; D840-K842 WeakPolarHBondContact OD1-CB 3.33Å; D840-K842 PolarHBondContact OD1-N 3.08Å; K842-E953 IonicContact NZ-OE1 3.92Å; K842-E953 PolarHBondContact NZ-OE1 2.71Å; K842-E953 IonicContact NZ-OE2 3.29Å; K842-E953 PolarHBondContact NZ-OE2 3.35Å; K842-P1077 HydrophobicContact CG-CB 4.16Å |
| 843 | V | 76.6 | Confident | 80.3 | Confident | 75 Ų | 75 | 40.8 Ų | 40.8 | 46% | 0.455 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | -26.4 | -173.6 | -174 | 0 | 0 | 0 | 0 | 111.1 | D840 L856 | D840-V843 PolarHBondContact O-N 3.4Å; V843-L856 VanDerWaalsContact O-CB 3.32Å; V843-L856 WeakPolarHBondContact O-CB 3.43Å; V843-L856 WeakPolarHBondContact O-CG 3.47Å; V843-L856 PolarHBondContact O-N 3.11Å |
| 844 | T | 79.1 | Confident | 80.1 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 156.6 | -176 | 64.4 | 0 | 0 | 0 | 0 | 112.6 | I838 T839 D840 Y854 V862 | I838-T844 WeakPolarHBondContact O-CG2 3.33Å; T839-T844 PolarHBondContact O-OG1 3.01Å; D840-T844 PolarHBondContact O-N 3.42Å; D840-T844 PolarHBondContact O-OG1 2.65Å; T844-Y854 CarbonylContact C-O 3.48Å; T844-Y854 WeakPolarHBondContact CA-O 3.45Å; T844-Y854 WeakPolarHBondContact CB-O 3.31Å; T844-V862 HydrophobicContact CG2-CG2 4.22Å |
| 845 | C | 80.6 | Confident | 80 | Confident | 33 Ų | 33 | 40.6 Ų | 40.6 | 22% | 0.223 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.8 | 175.4 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | W853 Y854 L856 | C845-W853 WeakPolarHBondContact O-CA 3.25Å; C845-Y854 PolarHBondContact N-O 2.98Å; C845-Y854 PolarHBondContact O-N 2.93Å; C845-L856 HydrophobicContact CB-CD2 3.78Å; C845-L856 HydrophobicContact CB-CG 4.41Å |
| 846 | Y | 81.8 | Confident | 79.4 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 130.8 | 175.5 | -179.7 | -106.9 | 0 | 0 | 0 | 111.8 | D848 N851 W853 I963 Q967 D1079 P1081 | Y846-D848 HydrophobicContact CE1-CB 4.28Å; Y846-N851 PolarHBondContact OH-OD1 3.18Å; Y846-W853 AromaticContact CD2-CD2 3.68Å; Y846-W853 HydrophobicContact CD2-CD2 3.68Å; Y846-W853 AromaticContact CD2-CE2 3.46Å; Y846-W853 VanDerWaalsContact CD2-CE2 3.46Å; Y846-W853 HydrophobicContact CD2-CE3 4.15Å; Y846-W853 HydrophobicContact CD2-CG 4.09Å; Y846-W853 HydrophobicContact CD2-CH2 4.29Å; Y846-W853 AromaticContact CD2-CZ2 3.8Å; Y846-W853 HydrophobicContact CD2-CZ2 3.8Å; Y846-W853 HydrophobicContact CD2-CZ3 4.44Å; Y846-W853 AromaticContact CD2-NE1 3.68Å; Y846-W853 HydrophobicContact CE2-CD2 4.2Å; Y846-W853 AromaticContact CE2-CE2 3.98Å; Y846-W853 HydrophobicContact CE2-CE3 4.23Å; Y846-W853 AromaticContact CE2-CH2 3.97Å; Y846-W853 HydrophobicContact CE2-CH2 3.97Å; Y846-W853 AromaticContact CE2-CZ2 3.89Å; Y846-W853 HydrophobicContact CE2-CZ2 3.89Å; Y846-W853 HydrophobicContact CE2-CZ3 4.13Å; Y846-I963 HydrophobicContact CD1-CD1 3.97Å; Y846-I963 HydrophobicContact CD1-CG2 4.19Å; Y846-I963 HydrophobicContact CD2-CG2 4.26Å; Y846-I963 HydrophobicContact CE1-CD1 4.43Å; Y846-I963 HydrophobicContact CE1-CG2 3.86Å; Y846-I963 HydrophobicContact CE2-CG2 3.94Å; Y846-I963 HydrophobicContact CG-CD1 4.4Å; Y846-I963 HydrophobicContact CG-CG2 4.36Å; Y846-Q967 PolarHBondContact OH-NE2 3.38Å; Y846-D1079 PolarHBondContact N-OD2 3.38Å; Y846-P1081 HydrophobicContact CD1-CB 3.89Å; Y846-P1081 HydrophobicContact CD1-CG 4.08Å |
| 847 | I | 80.9 | Confident | 78.7 | Confident | 22 Ų | 22 | 52 Ų | 52 | 11% | 0.113 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 107.1 | 176.8 | -57.1 | -174.2 | 0 | 0 | 0 | 109.5 | Q849 L850 N851 T852 Y854 | I847-Q849 VanDerWaalsContact C-N 3.31Å; I847-Q849 VanDerWaalsContact CG2-OE1 3.28Å; I847-Q849 PolarHBondContact O-N 2.99Å; I847-L850 HydrophobicContact CB-CB 4.49Å; I847-L850 HydrophobicContact CG2-CB 4.22Å; I847-L850 HydrophobicContact CG2-CD1 4.21Å; I847-L850 HydrophobicContact CG2-CG 4.12Å; I847-L850 PolarHBondContact O-N 2.98Å; I847-N851 PolarHBondContact O-N 3.09Å; I847-T852 PolarHBondContact N-O 3.45Å; I847-Y854 HydrophobicContact CB-CE2 4.4Å; I847-Y854 HydrophobicContact CD1-CD2 3.59Å; I847-Y854 HydrophobicContact CD1-CE2 3.58Å; I847-Y854 HydrophobicContact CG1-CD2 3.92Å; I847-Y854 HydrophobicContact CG1-CE2 4.08Å |
| 848 | D | 75.1 | Confident | 78.1 | Confident | 33 Ų | 33 | 50 Ų | 50 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -37.1 | -176.8 | -169.7 | 68.3 | 0 | 0 | 0 | 112.7 | Y846 L850 K1141 Y1142 | Y846-D848 HydrophobicContact CE1-CB 4.28Å; D848-L850 VanDerWaalsContact C-N 3.3Å; D848-L850 PolarHBondContact O-N 3.42Å; D848-K1141 IonicContact OD2-NZ 2.83Å; D848-K1141 PolarHBondContact OD2-NZ 3.12Å; D848-Y1142 PolarHBondContact OD1-OH 3.37Å; D848-Y1142 PolarHBondContact OD2-OH 3.13Å |
| 849 | Q | 75.4 | Confident | 77.6 | Confident | 122 Ų | 122 | 56.4 Ų | 56.4 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -30.3 | -179.2 | -59.9 | 87.1 | -10 | 0 | 0 | 113 | I847 | I847-Q849 VanDerWaalsContact C-N 3.31Å; I847-Q849 VanDerWaalsContact CG2-OE1 3.28Å; I847-Q849 PolarHBondContact O-N 2.99Å |
| 850 | L | 76.2 | Confident | 77.4 | Confident | 99 Ų | 99 | 62.8 Ų | 62.8 | 52% | 0.518 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -13 | -177.1 | -63.6 | 177.1 | 0 | 0 | 0 | 112.6 | I847 D848 T852 Y854 | I847-L850 HydrophobicContact CB-CB 4.49Å; I847-L850 HydrophobicContact CG2-CB 4.22Å; I847-L850 HydrophobicContact CG2-CD1 4.21Å; I847-L850 HydrophobicContact CG2-CG 4.12Å; I847-L850 PolarHBondContact O-N 2.98Å; D848-L850 VanDerWaalsContact C-N 3.3Å; D848-L850 PolarHBondContact O-N 3.42Å; L850-T852 VanDerWaalsContact CB-OG1 3.23Å; L850-T852 WeakPolarHBondContact CB-OG1 3.42Å; L850-T852 PolarHBondContact O-N 3.37Å; L850-Y854 HydrophobicContact CD1-CE2 4.31Å |
| 851 | N | 78.8 | Confident | 77.3 | Confident | 58 Ų | 58 | 65.3 Ų | 65.3 | 31% | 0.31 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 36.6 | -170.8 | -67 | -65.1 | 0 | 0 | 0 | 113.2 | Y846 I847 Q967 | Y846-N851 PolarHBondContact OH-OD1 3.18Å; I847-N851 PolarHBondContact O-N 3.09Å; N851-Q967 PolarHBondContact OD1-NE2 2.92Å |
| 852 | T | 81.5 | Confident | 77.2 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 3% | 0.025 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 151 | -176 | 47.2 | 0 | 0 | 0 | 0 | 112.8 | I847 L850 Y854 N864 | I847-T852 PolarHBondContact N-O 3.45Å; L850-T852 VanDerWaalsContact CB-OG1 3.23Å; L850-T852 WeakPolarHBondContact CB-OG1 3.42Å; L850-T852 PolarHBondContact O-N 3.37Å; T852-Y854 WeakPolarHBondContact OG1-CE2 3.26Å; T852-Y854 PolarHBondContact OG1-OH 3.04Å; T852-N864 HydrophobicContact CG2-CB 3.89Å; T852-N864 VanDerWaalsContact CG2-ND2 3.29Å; T852-N864 WeakPolarHBondContact CG2-ND2 3.42Å; T852-N864 WeakPolarHBondContact CG2-OD1 3.4Å |
| 853 | W | 83.6 | Confident | 77.1 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 3% | 0.027 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.6 | 172.6 | -70.3 | -98.6 | 0 | 0 | 0 | 110.2 | T839 C845 Y846 V862 T863 F868 I963 L964 Q967 | T839-W853 HydrophobicContact CG2-CD2 3.94Å; T839-W853 HydrophobicContact CG2-CG 4.01Å; T839-W853 HydrophobicContact CG2-CZ2 4.25Å; C845-W853 WeakPolarHBondContact O-CA 3.25Å; Y846-W853 AromaticContact CD2-CD2 3.68Å; Y846-W853 HydrophobicContact CD2-CD2 3.68Å; Y846-W853 AromaticContact CD2-CE2 3.46Å; Y846-W853 VanDerWaalsContact CD2-CE2 3.46Å; Y846-W853 HydrophobicContact CD2-CE3 4.15Å; Y846-W853 HydrophobicContact CD2-CG 4.09Å; Y846-W853 HydrophobicContact CD2-CH2 4.29Å; Y846-W853 AromaticContact CD2-CZ2 3.8Å; Y846-W853 HydrophobicContact CD2-CZ2 3.8Å; Y846-W853 HydrophobicContact CD2-CZ3 4.44Å; Y846-W853 AromaticContact CD2-NE1 3.68Å; Y846-W853 HydrophobicContact CE2-CD2 4.2Å; Y846-W853 AromaticContact CE2-CE2 3.98Å; Y846-W853 HydrophobicContact CE2-CE3 4.23Å; Y846-W853 AromaticContact CE2-CH2 3.97Å; Y846-W853 HydrophobicContact CE2-CH2 3.97Å; Y846-W853 AromaticContact CE2-CZ2 3.89Å; Y846-W853 HydrophobicContact CE2-CZ2 3.89Å; Y846-W853 HydrophobicContact CE2-CZ3 4.13Å; W853-V862 HydrophobicContact CB-CB 4.38Å; W853-V862 PolarHBondContact O-N 3.3Å; W853-T863 VanDerWaalsContact CE3-OG1 3.31Å; W853-T863 PolarHBondContact N-O 3.42Å; W853-F868 HydrophobicContact CH2-CE2 4.15Å; W853-F868 HydrophobicContact CH2-CZ 4.42Å; W853-F868 HydrophobicContact CZ3-CE2 4.3Å; W853-I963 HydrophobicContact CH2-CG2 4.31Å; W853-I963 HydrophobicContact CZ2-CG2 3.75Å; W853-L964 HydrophobicContact CH2-CD2 4.04Å; W853-L964 HydrophobicContact CZ2-CD2 3.8Å; W853-Q967 HydrophobicContact CH2-CG 4.09Å |
| 854 | Y | 80.1 | Confident | 77.3 | Confident | 56 Ų | 56 | 61.3 Ų | 61.3 | 22% | 0.22 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 145.8 | 176.2 | -65.5 | -86.5 | 0 | 0 | 0 | 110.8 | T844 C845 I847 L850 T852 H860 E861 | T844-Y854 CarbonylContact C-O 3.48Å; T844-Y854 WeakPolarHBondContact CA-O 3.45Å; T844-Y854 WeakPolarHBondContact CB-O 3.31Å; C845-Y854 PolarHBondContact N-O 2.98Å; C845-Y854 PolarHBondContact O-N 2.93Å; I847-Y854 HydrophobicContact CB-CE2 4.4Å; I847-Y854 HydrophobicContact CD1-CD2 3.59Å; I847-Y854 HydrophobicContact CD1-CE2 3.58Å; I847-Y854 HydrophobicContact CG1-CD2 3.92Å; I847-Y854 HydrophobicContact CG1-CE2 4.08Å; L850-Y854 HydrophobicContact CD1-CE2 4.31Å; T852-Y854 WeakPolarHBondContact OG1-CE2 3.26Å; T852-Y854 PolarHBondContact OG1-OH 3.04Å; Y854-H860 WeakPolarHBondContact CA-O 3.16Å; Y854-E861 HydrophobicContact CD1-CB 4.37Å; Y854-E861 HydrophobicContact CE1-CB 4.04Å |
| 855 | D | 79.7 | Confident | 77.2 | Confident | 32 Ų | 32 | 63.2 Ų | 63.2 | 17% | 0.171 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 131.3 | 171.4 | 176.2 | 13 | 0 | 0 | 0 | 110 | R857 S858 H859 H860 V862 | D855-R857 PolarHBondContact O-N 3.31Å; D855-R857 PolarHBondContact OD1-N 3.32Å; D855-R857 VanDerWaalsContact OD1-N 3.09Å; D855-S858 WeakPolarHBondContact CB-OG 3.36Å; D855-S858 VanDerWaalsContact OD2-CB 3.27Å; D855-S858 WeakPolarHBondContact OD2-CB 3.45Å; D855-S858 PolarHBondContact OD2-N 3.42Å; D855-S858 PolarHBondContact OD2-OG 3.19Å; D855-H859 VanDerWaalsContact O-CA 3.24Å; D855-H859 WeakPolarHBondContact O-CA 3.5Å; D855-H859 PolarHBondContact O-N 3.32Å; D855-H860 PolarHBondContact N-O 3.11Å; D855-V862 HydrophobicContact CB-CG2 3.81Å |
| 856 | L | 72.8 | Confident | 77.3 | Confident | 43 Ų | 43 | 70.4 Ų | 70.4 | 23% | 0.225 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -27.7 | -179.7 | -73.1 | 169.2 | 0 | 0 | 0 | 112.7 | V843 C845 | V843-L856 VanDerWaalsContact O-CB 3.32Å; V843-L856 WeakPolarHBondContact O-CB 3.43Å; V843-L856 WeakPolarHBondContact O-CG 3.47Å; V843-L856 PolarHBondContact O-N 3.11Å; C845-L856 HydrophobicContact CB-CD2 3.78Å; C845-L856 HydrophobicContact CB-CG 4.41Å |
| 857 | R | 69.6 | Low | 77.4 | Confident | 229 Ų | 229 | 70.2 Ų | 70.2 | 86% | 0.864 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -44.8 | -177.5 | -67.5 | -174.5 | -177.3 | -175.2 | 2.2 | 113.3 | D855 | D855-R857 PolarHBondContact O-N 3.31Å; D855-R857 PolarHBondContact OD1-N 3.32Å; D855-R857 VanDerWaalsContact OD1-N 3.09Å |
| 858 | S | 70.4 | Confident | 77.6 | Confident | 51 Ų | 51 | 69.3 Ų | 69.3 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -11.7 | -174.5 | 70.6 | 0 | 0 | 0 | 0 | 114 | D855 H860 | D855-S858 WeakPolarHBondContact CB-OG 3.36Å; D855-S858 VanDerWaalsContact OD2-CB 3.27Å; D855-S858 WeakPolarHBondContact OD2-CB 3.45Å; D855-S858 PolarHBondContact OD2-N 3.42Å; D855-S858 PolarHBondContact OD2-OG 3.19Å; S858-H860 PolarHBondContact O-N 3.37Å |
| 859 | H | 71.8 | Confident | 78.2 | Confident | 148 Ų | 148 | 69.9 Ų | 69.9 | 69% | 0.685 | 33% | 0.334 | S | S | * | . | trans | 55.1 | 12.6 | -173.8 | -59.8 | -64.8 | 0 | 0 | 0 | 114.7 | D855 | D855-H859 VanDerWaalsContact O-CA 3.24Å; D855-H859 WeakPolarHBondContact O-CA 3.5Å; D855-H859 PolarHBondContact O-N 3.32Å | ||
| 860 | H | 77.4 | Confident | 78.6 | Confident | 137 Ų | 137 | 66.5 Ų | 66.5 | 63% | 0.634 | 32% | 0.318 | S | S | * | . | trans | -76.7 | 146.1 | 174.5 | -74.6 | -61.2 | 0 | 0 | 0 | 110.8 | Y854 D855 S858 V862 | Y854-H860 WeakPolarHBondContact CA-O 3.16Å; D855-H860 PolarHBondContact N-O 3.11Å; S858-H860 PolarHBondContact O-N 3.37Å; H860-V862 PolarHBondContact O-N 3.37Å | ||
| 861 | E | 79.1 | Confident | 79.1 | Confident | 108 Ų | 108 | 61.8 Ų | 61.8 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 123.5 | 171.3 | -175.7 | -179.7 | 176.5 | 0 | 0 | 109.1 | Y854 N864 | Y854-E861 HydrophobicContact CD1-CB 4.37Å; Y854-E861 HydrophobicContact CE1-CB 4.04Å; E861-N864 VanDerWaalsContact OE1-CB 3.32Å; E861-N864 WeakPolarHBondContact OE1-CB 3.5Å; E861-N864 PolarHBondContact OE1-ND2 3.39Å |
| 862 | V | 73 | Confident | 79.4 | Confident | 49 Ų | 49 | 60.5 Ų | 60.5 | 30% | 0.297 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -52.8 | -177.6 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | I838 T844 W853 D855 H860 | I838-V862 HydrophobicContact CG2-CG1 3.2Å; T844-V862 HydrophobicContact CG2-CG2 4.22Å; W853-V862 HydrophobicContact CB-CB 4.38Å; W853-V862 PolarHBondContact O-N 3.3Å; D855-V862 HydrophobicContact CB-CG2 3.81Å; H860-V862 PolarHBondContact O-N 3.37Å |
| 863 | T | 76.6 | Confident | 79.5 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 157.2 | -179.7 | 48.9 | 0 | 0 | 0 | 0 | 112 | I838 W853 L867 | I838-T863 HydrophobicContact CG2-CG2 3.7Å; W853-T863 VanDerWaalsContact CE3-OG1 3.31Å; W853-T863 PolarHBondContact N-O 3.42Å; T863-L867 HydrophobicContact CG2-CD2 3.89Å |
| 864 | N | 80.4 | Confident | 79.5 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | trans | -140.7 | 172.3 | -177.8 | -159.6 | -28.7 | 0 | 0 | 0 | 110.1 | T852 E861 R866 L867 | T852-N864 HydrophobicContact CG2-CB 3.89Å; T852-N864 VanDerWaalsContact CG2-ND2 3.29Å; T852-N864 WeakPolarHBondContact CG2-ND2 3.42Å; T852-N864 WeakPolarHBondContact CG2-OD1 3.4Å; E861-N864 VanDerWaalsContact OE1-CB 3.32Å; E861-N864 WeakPolarHBondContact OE1-CB 3.5Å; E861-N864 PolarHBondContact OE1-ND2 3.39Å; N864-R866 PolarHBondContact O-N 3.28Å; N864-L867 VanDerWaalsContact O-CB 3.26Å; N864-L867 WeakPolarHBondContact O-CB 3.41Å; N864-L867 PolarHBondContact O-N 2.69Å | ||
| 865 | S | 77.4 | Confident | 79.6 | Confident | 47 Ų | 47 | 61.1 Ų | 61.1 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.8 | -38.4 | 167.4 | 53.8 | 0 | 0 | 0 | 0 | 114 | L867 F868 | S865-L867 PolarHBondContact O-N 3.22Å; S865-L867 VanDerWaalsContact O-N 3.07Å; S865-F868 PolarHBondContact O-N 3.29Å |
| 866 | R | 82.6 | Confident | 79.8 | Confident | 184 Ų | 184 | 60.9 Ų | 60.9 | 69% | 0.694 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -53.9 | -28.6 | 176 | -64.7 | -177.4 | -178.2 | 173 | 0.8 | 114.4 | N864 F868 S869 E870 | N864-R866 PolarHBondContact O-N 3.28Å; R866-F868 VanDerWaalsContact C-N 3.29Å; R866-F868 PolarHBondContact O-N 3.43Å; R866-S869 PolarHBondContact O-N 3.18Å; R866-E870 VanDerWaalsContact O-CG 3.28Å; R866-E870 WeakPolarHBondContact O-CG 3.35Å; R866-E870 PolarHBondContact O-N 3.39Å |
| 867 | L | 83.4 | Confident | 80.4 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 176.2 | 176.8 | 66 | 0 | 0 | 0 | 111.2 | L744 M745 L748 T863 N864 S865 E870 I871 | L744-L867 HydrophobicContact CD2-CD1 3.72Å; L744-L867 HydrophobicContact CD2-CD2 4.24Å; L744-L867 HydrophobicContact CG-CD1 4.12Å; M745-L867 HydrophobicContact CE-CB 4.17Å; M745-L867 HydrophobicContact CE-CD1 4.01Å; L748-L867 HydrophobicContact CD1-CD1 3.68Å; T863-L867 HydrophobicContact CG2-CD2 3.89Å; N864-L867 VanDerWaalsContact O-CB 3.26Å; N864-L867 WeakPolarHBondContact O-CB 3.41Å; N864-L867 PolarHBondContact O-N 2.69Å; S865-L867 PolarHBondContact O-N 3.22Å; S865-L867 VanDerWaalsContact O-N 3.07Å; L867-E870 PolarHBondContact O-N 2.85Å; L867-I871 HydrophobicContact CD1-CD1 4.2Å; L867-I871 HydrophobicContact CD1-CG1 4.48Å; L867-I871 HydrophobicContact CG-CD1 3.93Å; L867-I871 VanDerWaalsContact O-CG1 3.24Å; L867-I871 WeakPolarHBondContact O-CG1 3.12Å; L867-I871 PolarHBondContact O-N 2.85Å |
| 868 | F | 85.4 | Confident | 81.1 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.8 | -35.4 | -179 | -61 | -75.7 | 0 | 0 | 0 | 111.5 | W853 S865 R866 I871 Q872 L880 L964 Q967 I968 E971 | W853-F868 HydrophobicContact CH2-CE2 4.15Å; W853-F868 HydrophobicContact CH2-CZ 4.42Å; W853-F868 HydrophobicContact CZ3-CE2 4.3Å; S865-F868 PolarHBondContact O-N 3.29Å; R866-F868 VanDerWaalsContact C-N 3.29Å; R866-F868 PolarHBondContact O-N 3.43Å; F868-I871 HydrophobicContact CD1-CD1 4.5Å; F868-I871 PolarHBondContact O-N 3.31Å; F868-Q872 WeakPolarHBondContact O-CB 3.5Å; F868-Q872 PolarHBondContact O-N 3.18Å; F868-L880 HydrophobicContact CD1-CD2 4.24Å; F868-L964 HydrophobicContact CZ-CD2 3.86Å; F868-Q967 HydrophobicContact CD2-CB 3.92Å; F868-Q967 HydrophobicContact CE2-CB 3.46Å; F868-Q967 VanDerWaalsContact CE2-CB 3.46Å; F868-Q967 HydrophobicContact CE2-CG 4.18Å; F868-Q967 HydrophobicContact CZ-CB 3.84Å; F868-I968 HydrophobicContact CD1-CG1 3.67Å; F868-I968 HydrophobicContact CE1-CD1 4.23Å; F868-I968 HydrophobicContact CE1-CG1 3.57Å; F868-E971 HydrophobicContact CB-CB 4.1Å; F868-E971 HydrophobicContact CB-CG 4.03Å |
| 869 | S | 86 | Confident | 81.8 | Confident | 46 Ų | 46 | 51 Ų | 51 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 171.3 | -46.4 | 0 | 0 | 0 | 0 | 112.4 | R866 Q872 S873 E971 | R866-S869 PolarHBondContact O-N 3.18Å; S869-Q872 WeakPolarHBondContact O-CB 3.39Å; S869-Q872 PolarHBondContact O-N 2.95Å; S869-S873 PolarHBondContact O-N 2.91Å; S869-E971 VanDerWaalsContact CA-OE1 3.3Å; S869-E971 WeakPolarHBondContact CA-OE1 3.5Å; S869-E971 VanDerWaalsContact CB-OE1 3.25Å; S869-E971 WeakPolarHBondContact CB-OE1 3.06Å; S869-E971 VanDerWaalsContact OG-CD 3.31Å; S869-E971 PolarHBondContact OG-OE1 2.89Å |
| 870 | E | 85.4 | Confident | 82.5 | Confident | 50 Ų | 50 | 44 Ų | 44 | 23% | 0.234 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.4 | -33.3 | 176.1 | -66.9 | -77.5 | -166.5 | 0 | 0 | 112.1 | M745 K749 R866 L867 Q872 S873 T874 | M745-E870 HydrophobicContact SD-CB 4.24Å; M745-E870 HydrophobicContact SD-CG 3.95Å; K749-E870 VanDerWaalsContact CE-OE1 3.26Å; K749-E870 WeakPolarHBondContact CE-OE1 3.42Å; R866-E870 VanDerWaalsContact O-CG 3.28Å; R866-E870 WeakPolarHBondContact O-CG 3.35Å; R866-E870 PolarHBondContact O-N 3.39Å; L867-E870 PolarHBondContact O-N 2.85Å; E870-Q872 VanDerWaalsContact C-N 3.3Å; E870-S873 WeakPolarHBondContact CA-OG 3.4Å; E870-S873 PolarHBondContact O-N 3.1Å; E870-S873 PolarHBondContact O-OG 3.39Å; E870-S873 PolarHBondContact OE2-OG 2.96Å; E870-T874 WeakPolarHBondContact O-CB 3.34Å; E870-T874 PolarHBondContact O-N 3.43Å; E870-T874 VanDerWaalsContact O-N 3.08Å; E870-T874 PolarHBondContact O-OG1 3Å |
| 871 | I | 86.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 169.9 | -69.8 | 166.2 | 0 | 0 | 0 | 109.9 | L748 I835 L867 F868 T874 L875 L880 L883 | L748-I871 HydrophobicContact CD1-CG1 3.8Å; L748-I871 HydrophobicContact CD2-CG1 4.3Å; I835-I871 HydrophobicContact CD1-CD1 3.78Å; L867-I871 HydrophobicContact CD1-CD1 4.2Å; L867-I871 HydrophobicContact CD1-CG1 4.48Å; L867-I871 HydrophobicContact CG-CD1 3.93Å; L867-I871 VanDerWaalsContact O-CG1 3.24Å; L867-I871 WeakPolarHBondContact O-CG1 3.12Å; L867-I871 PolarHBondContact O-N 2.85Å; F868-I871 HydrophobicContact CD1-CD1 4.5Å; F868-I871 PolarHBondContact O-N 3.31Å; I871-T874 PolarHBondContact O-N 3.15Å; I871-L875 HydrophobicContact CG2-CD1 4.27Å; I871-L875 PolarHBondContact O-N 2.62Å; I871-L880 HydrophobicContact CB-CD2 4.12Å; I871-L880 HydrophobicContact CG2-CD2 3.59Å; I871-L880 HydrophobicContact CG2-CG 4.24Å; I871-L883 HydrophobicContact CG2-CD1 4.02Å |
| 872 | Q | 85.9 | Confident | 83.2 | Confident | 31 Ų | 31 | 34.3 Ų | 34.3 | 15% | 0.145 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.6 | -42.9 | 176.4 | -172 | 178.6 | -16 | 0 | 0 | 112.1 | F868 S869 E870 T874 G876 L880 S975 | F868-Q872 WeakPolarHBondContact O-CB 3.5Å; F868-Q872 PolarHBondContact O-N 3.18Å; S869-Q872 WeakPolarHBondContact O-CB 3.39Å; S869-Q872 PolarHBondContact O-N 2.95Å; E870-Q872 VanDerWaalsContact C-N 3.3Å; Q872-T874 PolarHBondContact O-N 3.41Å; Q872-G876 WeakPolarHBondContact O-CA 3.47Å; Q872-G876 PolarHBondContact O-N 3.35Å; Q872-L880 HydrophobicContact CB-CD1 3.87Å; Q872-L880 HydrophobicContact CG-CD1 4.25Å; Q872-S975 PolarHBondContact NE2-OG 2.96Å |
| 873 | S | 83.9 | Confident | 83.8 | Confident | 68 Ų | 68 | 32.1 Ų | 32.1 | 48% | 0.476 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.9 | -32.2 | 175.4 | 68.5 | 0 | 0 | 0 | 0 | 111.8 | S869 E870 | S869-S873 PolarHBondContact O-N 2.91Å; E870-S873 WeakPolarHBondContact CA-OG 3.4Å; E870-S873 PolarHBondContact O-N 3.1Å; E870-S873 PolarHBondContact O-OG 3.39Å; E870-S873 PolarHBondContact OE2-OG 2.96Å |
| 874 | T | 82.3 | Confident | 84.3 | Confident | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -83 | -46.8 | -177.7 | -53.4 | 0 | 0 | 0 | 0 | 113.9 | L748 M751 E870 I871 Q872 | L748-T874 HydrophobicContact CD2-CG2 4.3Å; L748-T874 PolarHBondContact O-OG1 3Å; M751-T874 HydrophobicContact CB-CG2 3.6Å; M751-T874 HydrophobicContact CG-CG2 3.32Å; E870-T874 WeakPolarHBondContact O-CB 3.34Å; E870-T874 PolarHBondContact O-N 3.43Å; E870-T874 VanDerWaalsContact O-N 3.08Å; E870-T874 PolarHBondContact O-OG1 3Å; I871-T874 PolarHBondContact O-N 3.15Å; Q872-T874 PolarHBondContact O-N 3.41Å |
| 875 | L | 82.7 | Confident | 84.6 | Confident | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -115.3 | -0.3 | -171 | -61.9 | 176.7 | 0 | 0 | 0 | 113.3 | L729 L733 I785 F827 L831 I871 G879 | L729-L875 HydrophobicContact CD2-CD2 3.45Å; L729-L875 VanDerWaalsContact CD2-CD2 3.45Å; L733-L875 HydrophobicContact CD1-CD2 4.45Å; I785-L875 HydrophobicContact CD1-CB 4.29Å; I785-L875 WeakPolarHBondContact CD1-O 3.35Å; F827-L875 HydrophobicContact CE2-CD2 3.97Å; L831-L875 HydrophobicContact CD2-CD1 3.55Å; I871-L875 HydrophobicContact CG2-CD1 4.27Å; I871-L875 PolarHBondContact O-N 2.62Å; L875-G879 PolarHBondContact O-N 2.78Å |
| 876 | G | 84.5 | Confident | 85.1 | Confident | 28 Ų | 28 | 33.5 Ų | 33.5 | 29% | 0.289 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | 66.7 | -173.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q872 F878 G879 | Q872-G876 WeakPolarHBondContact O-CA 3.47Å; Q872-G876 PolarHBondContact O-N 3.35Å; G876-F878 PolarHBondContact O-N 3.38Å; G876-G879 PolarHBondContact O-N 3.39Å |
| 877 | T | 85.3 | Confident | 85.3 | Confident | 57 Ų | 57 | 25 Ų | 25 | 35% | 0.35 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.2 | -32.6 | 176 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | G879 L880 N881 L972 | T877-G879 PolarHBondContact O-N 2.82Å; T877-L880 PolarHBondContact O-N 3.06Å; T877-N881 PolarHBondContact O-N 3.2Å; T877-L972 HydrophobicContact CG2-CD2 4.3Å |
| 878 | F | 84.6 | Confident | 85.5 | Confident | 58 Ų | 58 | 25.4 Ų | 25.4 | 25% | 0.254 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.5 | -38.3 | 177.6 | -54.9 | -67.5 | 0 | 0 | 0 | 112.6 | Q778 S782 I785 G876 G882 | Q778-F878 HydrophobicContact CG-CE2 4.46Å; S782-F878 VanDerWaalsContact OG-CD1 3.27Å; S782-F878 WeakPolarHBondContact OG-CD1 3.05Å; S782-F878 WeakPolarHBondContact OG-CE1 3.4Å; S782-F878 WeakPolarHBondContact OG-CZ 3.42Å; I785-F878 HydrophobicContact CB-CB 4.4Å; I785-F878 HydrophobicContact CD1-CB 4.17Å; I785-F878 HydrophobicContact CG2-CB 4.15Å; G876-F878 PolarHBondContact O-N 3.38Å; F878-G882 PolarHBondContact O-N 3.03Å |
| 879 | G | 83.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L875 G876 T877 G882 L883 | L875-G879 PolarHBondContact O-N 2.78Å; G876-G879 PolarHBondContact O-N 3.39Å; T877-G879 PolarHBondContact O-N 2.82Å; G879-G882 PolarHBondContact O-N 3.21Å; G879-L883 WeakPolarHBondContact O-CG 3.11Å; G879-L883 PolarHBondContact O-N 2.71Å |
| 880 | L | 87 | Confident | 85.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.2 | -44.9 | 177 | -75.6 | -176.5 | 0 | 0 | 0 | 112.3 | F868 I871 Q872 T877 G882 L883 D884 I968 E971 L972 | F868-L880 HydrophobicContact CD1-CD2 4.24Å; I871-L880 HydrophobicContact CB-CD2 4.12Å; I871-L880 HydrophobicContact CG2-CD2 3.59Å; I871-L880 HydrophobicContact CG2-CG 4.24Å; Q872-L880 HydrophobicContact CB-CD1 3.87Å; Q872-L880 HydrophobicContact CG-CD1 4.25Å; T877-L880 PolarHBondContact O-N 3.06Å; L880-G882 VanDerWaalsContact C-N 3.31Å; L880-G882 PolarHBondContact O-N 3.15Å; L880-L883 PolarHBondContact O-N 3.18Å; L880-D884 PolarHBondContact O-N 3.04Å; L880-I968 HydrophobicContact CB-CG2 4.01Å; L880-I968 HydrophobicContact CD2-CG1 4.34Å; L880-I968 HydrophobicContact CD2-CG2 4.42Å; L880-E971 HydrophobicContact CD1-CB 4.48Å; L880-E971 HydrophobicContact CD1-CG 4.2Å; L880-L972 HydrophobicContact CB-CD1 4.4Å; L880-L972 HydrophobicContact CB-CD2 3.88Å; L880-L972 HydrophobicContact CB-CG 4.19Å; L880-L972 HydrophobicContact CD1-CD2 3.99Å; L880-L972 HydrophobicContact CD1-CG 4.23Å |
| 881 | N | 86.6 | Confident | 85.5 | Confident | 40 Ų | 40 | 24.7 Ų | 24.7 | 21% | 0.214 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.1 | -40.5 | 174.2 | -169.9 | -1.4 | 0 | 0 | 0 | 111.4 | T877 L883 D884 R885 | T877-N881 PolarHBondContact O-N 3.2Å; N881-L883 PolarHBondContact O-N 3.03Å; N881-D884 WeakPolarHBondContact O-CB 3.28Å; N881-D884 PolarHBondContact O-N 2.89Å; N881-R885 PolarHBondContact O-N 3.21Å |
| 882 | G | 83.8 | Confident | 85.5 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.4 | -43.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V789 F878 G879 L880 R885 L886 | V789-G882 VanDerWaalsContact CG2-CA 3.43Å; F878-G882 PolarHBondContact O-N 3.03Å; G879-G882 PolarHBondContact O-N 3.21Å; L880-G882 VanDerWaalsContact C-N 3.31Å; L880-G882 PolarHBondContact O-N 3.15Å; G882-R885 PolarHBondContact O-N 3.47Å; G882-L886 PolarHBondContact O-N 3.02Å |
| 883 | L | 86.9 | Confident | 85.5 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.3 | -42.2 | 173.8 | -73.6 | 170.7 | 0 | 0 | 0 | 111.7 | I828 L831 C832 I835 I871 G879 L880 N881 R885 L886 L887 I968 | I828-L883 HydrophobicContact CG2-CD2 3.83Å; I828-L883 HydrophobicContact CG2-CG 4.42Å; L831-L883 HydrophobicContact CD2-CD1 4.04Å; L831-L883 HydrophobicContact CD2-CD2 4.37Å; L831-L883 HydrophobicContact CG-CD2 4.48Å; C832-L883 HydrophobicContact CB-CD2 3.87Å; I835-L883 HydrophobicContact CD1-CD1 4.41Å; I871-L883 HydrophobicContact CG2-CD1 4.02Å; G879-L883 WeakPolarHBondContact O-CG 3.11Å; G879-L883 PolarHBondContact O-N 2.71Å; L880-L883 PolarHBondContact O-N 3.18Å; N881-L883 PolarHBondContact O-N 3.03Å; L883-R885 PolarHBondContact O-N 3.35Å; L883-L886 PolarHBondContact O-N 3.37Å; L883-L887 WeakPolarHBondContact O-CB 3.44Å; L883-L887 VanDerWaalsContact O-CG 3.29Å; L883-L887 WeakPolarHBondContact O-CG 3.22Å; L883-L887 PolarHBondContact O-N 3.45Å; L883-I968 HydrophobicContact CB-CD1 4.21Å |
| 884 | D | 86.9 | Confident | 85.6 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.8 | -45.2 | 176.1 | -170.5 | 69.6 | 0 | 0 | 0 | 111.9 | L880 N881 L887 C888 R965 I968 H1030 | L880-D884 PolarHBondContact O-N 3.04Å; N881-D884 WeakPolarHBondContact O-CB 3.28Å; N881-D884 PolarHBondContact O-N 2.89Å; D884-L887 PolarHBondContact O-N 2.69Å; D884-C888 PolarHBondContact O-N 2.95Å; D884-C888 PolarHBondContact O-SG 3.34Å; D884-R965 WeakPolarHBondContact OD1-CB 3.35Å; D884-R965 VanDerWaalsContact OD1-CG 3.26Å; D884-R965 WeakPolarHBondContact OD1-CG 3.49Å; D884-R965 IonicContact OD1-CZ 3.77Å; D884-R965 IonicContact OD1-NE 2.93Å; D884-R965 PolarHBondContact OD1-NE 3.16Å; D884-R965 IonicContact OD1-NH2 2.74Å; D884-R965 PolarHBondContact OD1-NH2 3.11Å; D884-R965 IonicContact OD2-CZ 2.73Å; D884-R965 IonicContact OD2-NE 2.82Å; D884-R965 PolarHBondContact OD2-NE 3.22Å; D884-R965 IonicContact OD2-NH2 3.21Å; D884-R965 PolarHBondContact OD2-NH2 3.43Å; D884-I968 HydrophobicContact CB-CG2 4.31Å; D884-H1030 IonicContact OD2-NE2 3.9Å |
| 885 | R | 86.6 | Confident | 85.8 | Confident | 112 Ų | 112 | 29.2 Ų | 29.2 | 42% | 0.423 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.2 | -174.1 | 174 | 178.3 | -175.1 | -3 | 112 | V789 N881 G882 L883 C888 F889 | V789-R885 HydrophobicContact CG1-CB 4.45Å; N881-R885 PolarHBondContact O-N 3.21Å; G882-R885 PolarHBondContact O-N 3.47Å; L883-R885 PolarHBondContact O-N 3.35Å; R885-C888 VanDerWaalsContact O-CB 3.27Å; R885-C888 WeakPolarHBondContact O-CB 3.47Å; R885-C888 PolarHBondContact O-N 3.23Å; R885-F889 HydrophobicContact CG-CD2 4.32Å; R885-F889 HydrophobicContact CG-CE2 3.99Å; R885-F889 VanDerWaalsContact O-CD2 3.3Å; R885-F889 WeakPolarHBondContact O-CD2 3.45Å; R885-F889 PolarHBondContact O-N 2.86Å |
| 886 | L | 86.4 | Confident | 85.9 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 176 | -170.7 | 83.8 | 0 | 0 | 0 | 111.2 | E792 F796 C832 G882 L883 C888 F889 M890 | E792-L886 HydrophobicContact CB-CD1 3.91Å; E792-L886 HydrophobicContact CG-CD1 3.44Å; E792-L886 VanDerWaalsContact CG-CD1 3.44Å; F796-L886 HydrophobicContact CE2-CD1 4.25Å; C832-L886 HydrophobicContact CB-CD2 3.43Å; C832-L886 VanDerWaalsContact CB-CD2 3.43Å; G882-L886 PolarHBondContact O-N 3.02Å; L883-L886 PolarHBondContact O-N 3.37Å; L886-C888 PolarHBondContact O-N 3.45Å; L886-F889 PolarHBondContact O-N 3.46Å; L886-F889 VanDerWaalsContact O-N 3.11Å; L886-M890 HydrophobicContact CD2-SD 4.34Å; L886-M890 HydrophobicContact CG-SD 4.42Å; L886-M890 WeakPolarHBondContact O-CG 3.5Å; L886-M890 PolarHBondContact O-N 3.47Å |
| 887 | L | 88.1 | Confident | 85.9 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.7 | -35.4 | 176.2 | -71.6 | 171.1 | 0 | 0 | 0 | 111.5 | L836 L883 D884 M890 I891 M961 L964 R965 I968 | L836-L887 HydrophobicContact CD2-CD2 4.39Å; L883-L887 WeakPolarHBondContact O-CB 3.44Å; L883-L887 VanDerWaalsContact O-CG 3.29Å; L883-L887 WeakPolarHBondContact O-CG 3.22Å; L883-L887 PolarHBondContact O-N 3.45Å; D884-L887 PolarHBondContact O-N 2.69Å; L887-M890 PolarHBondContact O-N 3.4Å; L887-I891 WeakPolarHBondContact O-CB 3.44Å; L887-I891 WeakPolarHBondContact O-CD1 3.31Å; L887-I891 WeakPolarHBondContact O-CG1 3.24Å; L887-I891 PolarHBondContact O-N 3.46Å; L887-M961 HydrophobicContact CD2-CB 4.21Å; L887-M961 HydrophobicContact CD2-CG 3.99Å; L887-L964 HydrophobicContact CD1-CB 4.01Å; L887-R965 HydrophobicContact CB-CG 3.9Å; L887-R965 HydrophobicContact CD1-CG 3.84Å; L887-I968 HydrophobicContact CD1-CD1 3.97Å |
| 888 | C | 86.6 | Confident | 85.8 | Confident | 13 Ų | 13 | 33.7 Ų | 33.7 | 9% | 0.088 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.9 | -50.4 | 171.9 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | D884 R885 L886 M890 I891 V892 R965 Y1037 | D884-C888 PolarHBondContact O-N 2.95Å; D884-C888 PolarHBondContact O-SG 3.34Å; R885-C888 VanDerWaalsContact O-CB 3.27Å; R885-C888 WeakPolarHBondContact O-CB 3.47Å; R885-C888 PolarHBondContact O-N 3.23Å; L886-C888 PolarHBondContact O-N 3.45Å; C888-M890 VanDerWaalsContact C-N 3.34Å; C888-I891 PolarHBondContact O-N 3.28Å; C888-V892 WeakPolarHBondContact O-CG2 3.31Å; C888-V892 PolarHBondContact O-N 3.02Å; C888-R965 PolarHBondContact SG-NH1 3.1Å; C888-R965 PolarHBondContact SG-NH2 3.35Å; C888-R965 VanDerWaalsContact SG-NH2 3.38Å; C888-Y1037 HydrophobicContact CB-CE1 4.28Å |
| 889 | F | 85 | Confident | 85.8 | Confident | 49 Ų | 49 | 32.2 Ų | 32.2 | 22% | 0.215 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.6 | -36.4 | 180 | -76.1 | -71.7 | 0 | 0 | 0 | 112.3 | C793 F796 L797 R885 L886 V892 R893 | C793-F889 HydrophobicContact CB-CD2 4.15Å; C793-F889 HydrophobicContact CB-CE2 4.09Å; C793-F889 VanDerWaalsContact SG-CD2 3.54Å; F796-F889 HydrophobicContact CB-CB 4.15Å; F796-F889 HydrophobicContact CB-CD1 4.42Å; F796-F889 HydrophobicContact CD2-CB 4.31Å; F796-F889 HydrophobicContact CG-CB 4.12Å; L797-F889 HydrophobicContact CD2-CE1 3.82Å; L797-F889 HydrophobicContact CD2-CZ 4.37Å; R885-F889 HydrophobicContact CG-CD2 4.32Å; R885-F889 HydrophobicContact CG-CE2 3.99Å; R885-F889 VanDerWaalsContact O-CD2 3.3Å; R885-F889 WeakPolarHBondContact O-CD2 3.45Å; R885-F889 PolarHBondContact O-N 2.86Å; L886-F889 PolarHBondContact O-N 3.46Å; L886-F889 VanDerWaalsContact O-N 3.11Å; F889-V892 PolarHBondContact O-N 3.04Å; F889-R893 PolarHBondContact O-N 3.46Å |
| 890 | M | 85.7 | Confident | 85.7 | Confident | 34 Ų | 34 | 35.1 Ų | 35.1 | 17% | 0.167 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 173.7 | -66.8 | -175.2 | 71.8 | 0 | 0 | 111.7 | F796 L836 L886 L887 C888 R893 E894 M961 | F796-M890 HydrophobicContact CE1-CG 4.05Å; F796-M890 HydrophobicContact CZ-CG 3.81Å; L836-M890 HydrophobicContact CD1-CE 3.46Å; L836-M890 VanDerWaalsContact CD1-CE 3.46Å; L836-M890 HydrophobicContact CD1-SD 4.05Å; L886-M890 HydrophobicContact CD2-SD 4.34Å; L886-M890 HydrophobicContact CG-SD 4.42Å; L886-M890 WeakPolarHBondContact O-CG 3.5Å; L886-M890 PolarHBondContact O-N 3.47Å; L887-M890 PolarHBondContact O-N 3.4Å; C888-M890 VanDerWaalsContact C-N 3.34Å; M890-R893 PolarHBondContact O-N 2.84Å; M890-E894 WeakPolarHBondContact O-CG 3.5Å; M890-E894 PolarHBondContact O-N 3.25Å; M890-M961 HydrophobicContact CB-CE 4.28Å; M890-M961 HydrophobicContact CB-SD 3.76Å; M890-M961 HydrophobicContact CE-CE 4.4Å |
| 891 | I | 87.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 173.7 | -69.1 | 162.2 | 0 | 0 | 0 | 110.7 | L887 C888 R893 E894 L895 V958 M961 Q962 Y1037 | L887-I891 WeakPolarHBondContact O-CB 3.44Å; L887-I891 WeakPolarHBondContact O-CD1 3.31Å; L887-I891 WeakPolarHBondContact O-CG1 3.24Å; L887-I891 PolarHBondContact O-N 3.46Å; C888-I891 PolarHBondContact O-N 3.28Å; I891-R893 VanDerWaalsContact C-N 3.33Å; I891-R893 PolarHBondContact O-N 3.37Å; I891-E894 PolarHBondContact O-N 3.19Å; I891-L895 HydrophobicContact CG2-CD1 3.62Å; I891-L895 HydrophobicContact CG2-CG 4.11Å; I891-L895 WeakPolarHBondContact O-CB 3.46Å; I891-L895 WeakPolarHBondContact O-CG 3.49Å; I891-L895 PolarHBondContact O-N 3.37Å; I891-V958 HydrophobicContact CG2-CG1 4.39Å; I891-M961 HydrophobicContact CD1-CB 3.93Å; I891-M961 HydrophobicContact CG1-CB 3.79Å; I891-M961 HydrophobicContact CG1-CG 4.41Å; I891-M961 HydrophobicContact CG1-SD 3.72Å; I891-Q962 HydrophobicContact CD1-CG 4.34Å; I891-Y1037 HydrophobicContact CB-CD1 4.43Å; I891-Y1037 HydrophobicContact CB-CE1 4.39Å; I891-Y1037 HydrophobicContact CD1-CE1 4.3Å; I891-Y1037 HydrophobicContact CG2-CD1 4.04Å; I891-Y1037 HydrophobicContact CG2-CD2 3.84Å; I891-Y1037 HydrophobicContact CG2-CE1 4.14Å; I891-Y1037 HydrophobicContact CG2-CE2 3.96Å; I891-Y1037 HydrophobicContact CG2-CG 3.9Å |
| 892 | V | 86.4 | Confident | 85.1 | Confident | 30 Ų | 30 | 35 Ų | 35 | 18% | 0.182 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56 | -48.6 | 176.5 | 172 | 0 | 0 | 0 | 0 | 110.6 | C888 F889 L895 Q896 Y1037 I1038 | C888-V892 WeakPolarHBondContact O-CG2 3.31Å; C888-V892 PolarHBondContact O-N 3.02Å; F889-V892 PolarHBondContact O-N 3.04Å; V892-L895 PolarHBondContact O-N 2.9Å; V892-Q896 HydrophobicContact CG1-CG 4.45Å; V892-Q896 WeakPolarHBondContact O-CB 3.38Å; V892-Q896 VanDerWaalsContact O-CG 3.3Å; V892-Q896 WeakPolarHBondContact O-CG 3.48Å; V892-Q896 PolarHBondContact O-N 3.48Å; V892-Y1037 HydrophobicContact CG2-CD1 4.11Å; V892-Y1037 HydrophobicContact CG2-CG 4.41Å; V892-I1038 HydrophobicContact CG1-CG2 4.07Å |
| 893 | R | 85.7 | Confident | 84.8 | Confident | 127 Ų | 127 | 39.3 Ų | 39.3 | 48% | 0.479 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63 | -46.2 | 179.5 | -178 | 177.2 | 175.1 | -174.9 | -3.1 | 112.1 | F796 F889 M890 I891 L895 Q896 N897 | F796-R893 HydrophobicContact CD1-CB 4.17Å; F889-R893 PolarHBondContact O-N 3.46Å; M890-R893 PolarHBondContact O-N 2.84Å; I891-R893 VanDerWaalsContact C-N 3.33Å; I891-R893 PolarHBondContact O-N 3.37Å; R893-L895 VanDerWaalsContact C-N 3.33Å; R893-L895 PolarHBondContact O-N 2.87Å; R893-Q896 PolarHBondContact O-N 3.41Å; R893-N897 WeakPolarHBondContact O-CB 3.32Å; R893-N897 PolarHBondContact O-N 2.98Å; R893-N897 PolarHBondContact O-ND2 3.11Å |
| 894 | E | 85.9 | Confident | 84.4 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 19% | 0.187 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 177.3 | -73.9 | -57.7 | 134.8 | 0 | 0 | 112 | M890 I891 N897 F898 V958 M961 | M890-E894 WeakPolarHBondContact O-CG 3.5Å; M890-E894 PolarHBondContact O-N 3.25Å; I891-E894 PolarHBondContact O-N 3.19Å; E894-N897 PolarHBondContact O-N 3.34Å; E894-F898 WeakPolarHBondContact O-CB 3.26Å; E894-F898 PolarHBondContact O-N 3.27Å; E894-V958 HydrophobicContact CB-CG2 4.15Å; E894-M961 HydrophobicContact CG-CE 4.02Å |
| 895 | L | 85.4 | Confident | 83.6 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.4 | -39.1 | 175 | -70.5 | 172.2 | 0 | 0 | 0 | 112.2 | I891 V892 R893 F898 L899 V958 Y1037 I1038 L1090 Q1093 | I891-L895 HydrophobicContact CG2-CD1 3.62Å; I891-L895 HydrophobicContact CG2-CG 4.11Å; I891-L895 WeakPolarHBondContact O-CB 3.46Å; I891-L895 WeakPolarHBondContact O-CG 3.49Å; I891-L895 PolarHBondContact O-N 3.37Å; V892-L895 PolarHBondContact O-N 2.9Å; R893-L895 VanDerWaalsContact C-N 3.33Å; R893-L895 PolarHBondContact O-N 2.87Å; L895-F898 WeakPolarHBondContact O-CB 3.43Å; L895-F898 PolarHBondContact O-N 3.06Å; L895-L899 WeakPolarHBondContact O-CG 3.37Å; L895-L899 PolarHBondContact O-N 3.28Å; L895-V958 HydrophobicContact CD2-CG2 4.27Å; L895-V958 HydrophobicContact CG-CG2 4.49Å; L895-Y1037 HydrophobicContact CD1-CD2 4.09Å; L895-Y1037 HydrophobicContact CD1-CG 4.27Å; L895-I1038 HydrophobicContact CB-CD1 3.8Å; L895-I1038 HydrophobicContact CB-CG1 4.43Å; L895-I1038 HydrophobicContact CD1-CD1 4.37Å; L895-I1038 HydrophobicContact CD1-CG1 4.27Å; L895-L1090 HydrophobicContact CD2-CD1 4.07Å; L895-Q1093 HydrophobicContact CD1-CG 4.03Å |
| 896 | Q | 85.3 | Confident | 82.9 | Confident | 103 Ų | 103 | 44.1 Ų | 44.1 | 48% | 0.481 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66 | -41.9 | 173.9 | -73.8 | 174.8 | -7.2 | 0 | 0 | 112.1 | V892 R893 F898 L899 T900 I1038 | V892-Q896 HydrophobicContact CG1-CG 4.45Å; V892-Q896 WeakPolarHBondContact O-CB 3.38Å; V892-Q896 VanDerWaalsContact O-CG 3.3Å; V892-Q896 WeakPolarHBondContact O-CG 3.48Å; V892-Q896 PolarHBondContact O-N 3.48Å; R893-Q896 PolarHBondContact O-N 3.41Å; Q896-F898 VanDerWaalsContact C-N 3.31Å; Q896-F898 PolarHBondContact O-N 3.46Å; Q896-L899 PolarHBondContact O-N 3.24Å; Q896-T900 WeakPolarHBondContact O-CB 3.31Å; Q896-T900 PolarHBondContact O-N 2.82Å; Q896-T900 PolarHBondContact O-OG1 3.37Å; Q896-I1038 HydrophobicContact CG-CG2 4.23Å |
| 897 | N | 84.8 | Confident | 82.2 | Confident | 76 Ų | 76 | 46 Ų | 46 | 41% | 0.406 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 172.6 | -72.6 | -16.9 | 0 | 0 | 0 | 110.7 | R893 E894 T900 M901 | R893-N897 WeakPolarHBondContact O-CB 3.32Å; R893-N897 PolarHBondContact O-N 2.98Å; R893-N897 PolarHBondContact O-ND2 3.11Å; E894-N897 PolarHBondContact O-N 3.34Å; N897-T900 PolarHBondContact O-N 3.1Å; N897-M901 WeakPolarHBondContact O-CB 3.33Å; N897-M901 PolarHBondContact O-N 2.88Å |
| 898 | F | 84.3 | Confident | 81.5 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 2% | 0.022 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 175.8 | 172.4 | -88.8 | 0 | 0 | 0 | 112 | E894 L895 Q896 T900 M901 L902 Y951 I955 L1090 | E894-F898 WeakPolarHBondContact O-CB 3.26Å; E894-F898 PolarHBondContact O-N 3.27Å; L895-F898 WeakPolarHBondContact O-CB 3.43Å; L895-F898 PolarHBondContact O-N 3.06Å; Q896-F898 VanDerWaalsContact C-N 3.31Å; Q896-F898 PolarHBondContact O-N 3.46Å; F898-T900 VanDerWaalsContact C-N 3.33Å; F898-T900 PolarHBondContact O-N 3.48Å; F898-M901 HydrophobicContact CD2-CE 3.79Å; F898-M901 HydrophobicContact CE2-CE 4.17Å; F898-M901 PolarHBondContact O-N 2.93Å; F898-L902 HydrophobicContact CE1-CD1 3.75Å; F898-L902 HydrophobicContact CZ-CD1 3.9Å; F898-L902 WeakPolarHBondContact O-CB 3.42Å; F898-L902 PolarHBondContact O-N 2.87Å; F898-Y951 HydrophobicContact CE2-CD1 4.36Å; F898-Y951 AromaticContact CE2-CD2 3.56Å; F898-Y951 HydrophobicContact CE2-CD2 3.56Å; F898-Y951 HydrophobicContact CE2-CE1 4.13Å; F898-Y951 AromaticContact CE2-CE2 3.27Å; F898-Y951 HydrophobicContact CE2-CE2 3.27Å; F898-Y951 HydrophobicContact CE2-CG 4.1Å; F898-Y951 AromaticContact CE2-CZ 3.58Å; F898-Y951 HydrophobicContact CZ-CD2 4.09Å; F898-Y951 HydrophobicContact CZ-CE1 4.32Å; F898-Y951 AromaticContact CZ-CE2 3.31Å; F898-Y951 HydrophobicContact CZ-CE2 3.31Å; F898-Y951 AromaticContact CZ-CZ 3.44Å; F898-Y951 VanDerWaalsContact CZ-CZ 3.44Å; F898-Y951 WeakPolarHBondContact CZ-OH 3.4Å; F898-I955 HydrophobicContact CE2-CD1 4.48Å; F898-L1090 HydrophobicContact CD1-CD1 3.9Å; F898-L1090 HydrophobicContact CE1-CD1 3.53Å; F898-L1090 HydrophobicContact CE1-CD2 3.9Å; F898-L1090 HydrophobicContact CE1-CG 4.36Å; F898-L1090 HydrophobicContact CE2-CD2 4.34Å; F898-L1090 HydrophobicContact CZ-CD1 4.12Å; F898-L1090 HydrophobicContact CZ-CD2 3.61Å |
| 899 | L | 82.9 | Confident | 81.1 | Confident | 27 Ų | 27 | 56.5 Ų | 56.5 | 14% | 0.141 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 175.6 | -74.3 | -179.3 | 0 | 0 | 0 | 112.1 | L895 Q896 M901 L902 Q903 I1038 T1040 L1043 F1094 | L895-L899 WeakPolarHBondContact O-CG 3.37Å; L895-L899 PolarHBondContact O-N 3.28Å; Q896-L899 PolarHBondContact O-N 3.24Å; L899-M901 VanDerWaalsContact C-N 3.33Å; L899-L902 PolarHBondContact O-N 3.36Å; L899-Q903 WeakPolarHBondContact O-CB 3.38Å; L899-Q903 WeakPolarHBondContact O-CG 3.08Å; L899-Q903 PolarHBondContact O-N 3.37Å; L899-I1038 HydrophobicContact CD1-CD1 3.65Å; L899-I1038 HydrophobicContact CG-CD1 4.23Å; L899-T1040 HydrophobicContact CD1-CG2 4.17Å; L899-L1043 HydrophobicContact CD2-CD1 3.9Å; L899-F1094 HydrophobicContact CD2-CZ 3.81Å |
| 900 | T | 82.4 | Confident | 80.6 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 37% | 0.368 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 178 | -57 | 0 | 0 | 0 | 0 | 110.8 | Q896 N897 F898 Q903 K904 | Q896-T900 WeakPolarHBondContact O-CB 3.31Å; Q896-T900 PolarHBondContact O-N 2.82Å; Q896-T900 PolarHBondContact O-OG1 3.37Å; N897-T900 PolarHBondContact O-N 3.1Å; F898-T900 VanDerWaalsContact C-N 3.33Å; F898-T900 PolarHBondContact O-N 3.48Å; T900-Q903 PolarHBondContact O-N 3.28Å; T900-K904 HydrophobicContact CG2-CD 3.92Å; T900-K904 HydrophobicContact CG2-CG 4.38Å; T900-K904 VanDerWaalsContact O-CB 3.32Å; T900-K904 WeakPolarHBondContact O-CB 3.28Å; T900-K904 WeakPolarHBondContact O-CG 3.37Å; T900-K904 PolarHBondContact O-N 3.46Å |
| 901 | M | 82 | Confident | 80.1 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 18% | 0.177 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 173.9 | 178.3 | -93 | -73.4 | 0 | 0 | 111.4 | N897 F898 L899 Q903 K904 T905 I906 Y951 | N897-M901 WeakPolarHBondContact O-CB 3.33Å; N897-M901 PolarHBondContact O-N 2.88Å; F898-M901 HydrophobicContact CD2-CE 3.79Å; F898-M901 HydrophobicContact CE2-CE 4.17Å; F898-M901 PolarHBondContact O-N 2.93Å; L899-M901 VanDerWaalsContact C-N 3.33Å; M901-Q903 PolarHBondContact O-N 2.68Å; M901-K904 PolarHBondContact O-N 3.35Å; M901-T905 WeakPolarHBondContact O-CA 3.27Å; M901-T905 WeakPolarHBondContact O-CB 3.49Å; M901-T905 PolarHBondContact O-N 2.81Å; M901-T905 PolarHBondContact O-OG1 3.29Å; M901-I906 HydrophobicContact SD-CD1 4.33Å; M901-Y951 HydrophobicContact CE-CD2 4.14Å |
| 902 | L | 79 | Confident | 79.4 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -63.6 | -40.7 | 177.4 | -167.6 | 155.6 | 0 | 0 | 0 | 111.3 | F898 L899 I906 L907 Y951 L1043 F1046 | F898-L902 HydrophobicContact CE1-CD1 3.75Å; F898-L902 HydrophobicContact CZ-CD1 3.9Å; F898-L902 WeakPolarHBondContact O-CB 3.42Å; F898-L902 PolarHBondContact O-N 2.87Å; L899-L902 PolarHBondContact O-N 3.36Å; L902-I906 HydrophobicContact CB-CD1 4.49Å; L902-I906 HydrophobicContact CG-CD1 4.18Å; L902-I906 WeakPolarHBondContact O-CB 3.11Å; L902-I906 PolarHBondContact O-N 2.82Å; L902-L907 HydrophobicContact CD2-CD1 3.76Å; L902-L907 HydrophobicContact CD2-CD2 4.47Å; L902-L907 HydrophobicContact CD2-CG 3.88Å; L902-L907 PolarHBondContact O-N 3.38Å; L902-Y951 HydrophobicContact CD1-CE2 4.48Å; L902-L1043 HydrophobicContact CD1-CD1 4.38Å; L902-L1043 HydrophobicContact CD2-CD1 3.94Å; L902-L1043 HydrophobicContact CD2-CD2 4.44Å; L902-F1046 HydrophobicContact CD1-CD2 4.17Å; L902-F1046 HydrophobicContact CD1-CE2 4.22Å |
| 903 | Q | 78 | Confident | 79 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 44% | 0.444 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -69.7 | -44.4 | 176 | -72.7 | 177.9 | 5 | 0 | 0 | 113.4 | L899 T900 M901 L907 | L899-Q903 WeakPolarHBondContact O-CB 3.38Å; L899-Q903 WeakPolarHBondContact O-CG 3.08Å; L899-Q903 PolarHBondContact O-N 3.37Å; T900-Q903 PolarHBondContact O-N 3.28Å; M901-Q903 PolarHBondContact O-N 2.68Å; Q903-L907 HydrophobicContact CG-CD1 4.33Å |
| 904 | K | 77.1 | Confident | 78.7 | Confident | 141 Ų | 141 | 62.2 Ų | 62.2 | 61% | 0.613 | 32% | 0.316 | S | S | * | . | I | π-helix | trans | -80.5 | -38.7 | -175.2 | -71.3 | -176.3 | -178.9 | 177.7 | 0 | 113 | T900 M901 | T900-K904 HydrophobicContact CG2-CD 3.92Å; T900-K904 HydrophobicContact CG2-CG 4.38Å; T900-K904 VanDerWaalsContact O-CB 3.32Å; T900-K904 WeakPolarHBondContact O-CB 3.28Å; T900-K904 WeakPolarHBondContact O-CG 3.37Å; T900-K904 PolarHBondContact O-N 3.46Å; M901-K904 PolarHBondContact O-N 3.35Å |
| 905 | T | 71.8 | Confident | 78.5 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 48% | 0.479 | 32% | 0.315 | S | S | . | . | I | π-helix | trans | -98 | -39.9 | -171.1 | -49.4 | 0 | 0 | 0 | 0 | 112.3 | M901 | M901-T905 WeakPolarHBondContact O-CA 3.27Å; M901-T905 WeakPolarHBondContact O-CB 3.49Å; M901-T905 PolarHBondContact O-N 2.81Å; M901-T905 PolarHBondContact O-OG1 3.29Å |
| 906 | I | 70.7 | Confident | 78.3 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -96.4 | -47.8 | -171.7 | -55.6 | 177.4 | 0 | 0 | 0 | 111.4 | M901 L902 F916 I947 Y951 I1049 | M901-I906 HydrophobicContact SD-CD1 4.33Å; L902-I906 HydrophobicContact CB-CD1 4.49Å; L902-I906 HydrophobicContact CG-CD1 4.18Å; L902-I906 WeakPolarHBondContact O-CB 3.11Å; L902-I906 PolarHBondContact O-N 2.82Å; I906-F916 HydrophobicContact CG2-CE2 3.63Å; I906-F916 HydrophobicContact CG2-CZ 4.22Å; I906-I947 HydrophobicContact CD1-CG2 3.43Å; I906-I947 VanDerWaalsContact CD1-CG2 3.43Å; I906-I947 HydrophobicContact CG1-CG2 3.67Å; I906-Y951 HydrophobicContact CD1-CD2 4.03Å; I906-Y951 HydrophobicContact CD1-CE2 4.11Å; I906-I1049 HydrophobicContact CG2-CD1 4.11Å |
| 907 | L | 71.8 | Confident | 78.1 | Confident | 43 Ų | 43 | 61.2 Ų | 61.2 | 23% | 0.225 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -78 | -22.2 | -175.6 | -66.3 | 176.7 | 0 | 0 | 0 | 114.4 | L902 Q903 M913 L1043 P1044 | L902-L907 HydrophobicContact CD2-CD1 3.76Å; L902-L907 HydrophobicContact CD2-CD2 4.47Å; L902-L907 HydrophobicContact CD2-CG 3.88Å; L902-L907 PolarHBondContact O-N 3.38Å; Q903-L907 HydrophobicContact CG-CD1 4.33Å; L907-M913 HydrophobicContact CD2-CE 4.4Å; L907-M913 HydrophobicContact CD2-SD 3.79Å; L907-L1043 HydrophobicContact CD1-CD2 4.07Å; L907-P1044 HydrophobicContact CD2-CG 3.97Å |
| 908 | K | 74.1 | Confident | 77.9 | Confident | 163 Ų | 163 | 62.1 Ų | 62.1 | 71% | 0.709 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -87.6 | -17.6 | 176.5 | -72.4 | -176.7 | 179.9 | -174.1 | 0 | 113.5 | K910 | K908-K910 PolarHBondContact O-N 3.25Š|
| 909 | D | 78.4 | Confident | 77.7 | Confident | 74 Ų | 74 | 62.3 Ų | 62.3 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | trans | -81.6 | 111 | 177.5 | -174.8 | 1.6 | 0 | 0 | 0 | 110.8 | A911 A912 M913 | D909-A911 VanDerWaalsContact C-N 3.28Å; D909-A911 PolarHBondContact O-N 3.19Å; D909-A911 PolarHBondContact OD1-N 2.96Å; D909-A912 HydrophobicContact CB-CB 4.1Å; D909-A912 PolarHBondContact O-N 3.07Å; D909-M913 WeakPolarHBondContact O-CG 3.27Å; D909-M913 PolarHBondContact O-N 2.97Å; D909-M913 VanDerWaalsContact O-N 3.13Å | ||
| 910 | K | 74.3 | Confident | 77.6 | Confident | 173 Ų | 173 | 63.6 Ų | 63.6 | 75% | 0.752 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.6 | -36.9 | 179.4 | -70.6 | -176.1 | 178.8 | 178.6 | 0 | 112 | K908 M913 D914 | K908-K910 PolarHBondContact O-N 3.25Å; K910-M913 PolarHBondContact O-N 3.41Å; K910-D914 VanDerWaalsContact O-CG 3.31Å; K910-D914 PolarHBondContact O-N 3.09Å |
| 911 | A | 74.3 | Confident | 77.4 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 52% | 0.521 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D909 V915 | D909-A911 VanDerWaalsContact C-N 3.28Å; D909-A911 PolarHBondContact O-N 3.19Å; D909-A911 PolarHBondContact OD1-N 2.96Å; A911-V915 WeakPolarHBondContact O-CG2 3.47Å; A911-V915 PolarHBondContact O-N 3.41Å |
| 912 | A | 73.4 | Confident | 77.1 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D909 D914 V915 F916 I947 | D909-A912 HydrophobicContact CB-CB 4.1Å; D909-A912 PolarHBondContact O-N 3.07Å; A912-D914 PolarHBondContact O-N 3.36Å; A912-V915 WeakPolarHBondContact O-CB 3.38Å; A912-V915 PolarHBondContact O-N 3.02Å; A912-F916 HydrophobicContact CB-CE2 4.05Å; A912-F916 WeakPolarHBondContact O-CD2 3.49Å; A912-F916 WeakPolarHBondContact O-CE2 3.48Å; A912-F916 WeakPolarHBondContact O-CG 3.24Å; A912-F916 PolarHBondContact O-N 3.1Å; A912-I947 HydrophobicContact CB-CD1 3.97Å |
| 913 | M | 78.4 | Confident | 76.9 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 14% | 0.138 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 178.4 | -73.3 | -66.6 | -69.9 | 0 | 0 | 113 | L907 D909 K910 F916 K917 Y1045 | L907-M913 HydrophobicContact CD2-CE 4.4Å; L907-M913 HydrophobicContact CD2-SD 3.79Å; D909-M913 WeakPolarHBondContact O-CG 3.27Å; D909-M913 PolarHBondContact O-N 2.97Å; D909-M913 VanDerWaalsContact O-N 3.13Å; K910-M913 PolarHBondContact O-N 3.41Å; M913-F916 PolarHBondContact O-N 3.39Å; M913-F916 HydrophobicContact SD-CD2 4.49Å; M913-K917 WeakPolarHBondContact O-CG 3.2Å; M913-K917 PolarHBondContact O-N 3.04Å; M913-Y1045 HydrophobicContact CE-CD2 3.6Å; M913-Y1045 HydrophobicContact CE-CE2 3.49Å; M913-Y1045 VanDerWaalsContact CE-CE2 3.49Å; M913-Y1045 HydrophobicContact SD-CD2 4.24Å |
| 914 | D | 79.1 | Confident | 76.8 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 47% | 0.465 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.4 | -34.3 | 176.8 | -70.8 | -21.4 | 0 | 0 | 0 | 112 | K910 A912 K917 T918 | K910-D914 VanDerWaalsContact O-CG 3.31Å; K910-D914 PolarHBondContact O-N 3.09Å; A912-D914 PolarHBondContact O-N 3.36Å; D914-K917 IonicContact OD1-NZ 3.39Å; D914-T918 WeakPolarHBondContact O-CB 3.41Å; D914-T918 PolarHBondContact O-N 3.02Å; D914-T918 PolarHBondContact O-OG1 2.83Å |
| 915 | V | 80.3 | Confident | 76.6 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 16% | 0.164 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 170.8 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | A911 A912 K917 T918 V919 A940 K943 | A911-V915 WeakPolarHBondContact O-CG2 3.47Å; A911-V915 PolarHBondContact O-N 3.41Å; A912-V915 WeakPolarHBondContact O-CB 3.38Å; A912-V915 PolarHBondContact O-N 3.02Å; V915-K917 PolarHBondContact O-N 3.06Å; V915-T918 PolarHBondContact O-N 2.96Å; V915-V919 WeakPolarHBondContact O-CG2 3.49Å; V915-V919 PolarHBondContact O-N 3.17Å; V915-A940 HydrophobicContact CG1-CB 4.45Å; V915-K943 HydrophobicContact CG2-CB 4.06Å; V915-K943 HydrophobicContact CG2-CD 4.07Å |
| 916 | F | 81.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.9 | -37.2 | 179.4 | -60.3 | -46.7 | 0 | 0 | 0 | 113.1 | I906 A912 M913 L920 Y1045 I1048 I1049 L1052 | I906-F916 HydrophobicContact CG2-CE2 3.63Å; I906-F916 HydrophobicContact CG2-CZ 4.22Å; A912-F916 HydrophobicContact CB-CE2 4.05Å; A912-F916 WeakPolarHBondContact O-CD2 3.49Å; A912-F916 WeakPolarHBondContact O-CE2 3.48Å; A912-F916 WeakPolarHBondContact O-CG 3.24Å; A912-F916 PolarHBondContact O-N 3.1Å; M913-F916 PolarHBondContact O-N 3.39Å; M913-F916 HydrophobicContact SD-CD2 4.49Å; F916-L920 WeakPolarHBondContact O-CB 3.25Å; F916-L920 PolarHBondContact O-N 3Å; F916-Y1045 HydrophobicContact CB-CG 4.43Å; F916-I1048 HydrophobicContact CD1-CG2 4.48Å; F916-I1049 HydrophobicContact CD1-CG1 4.18Å; F916-I1049 HydrophobicContact CD2-CD1 4.4Å; F916-I1049 HydrophobicContact CD2-CG1 4.06Å; F916-I1049 HydrophobicContact CE1-CG1 3.97Å; F916-I1049 HydrophobicContact CE2-CD1 4.22Å; F916-I1049 HydrophobicContact CE2-CG1 3.85Å; F916-I1049 HydrophobicContact CG-CG1 4.24Å; F916-I1049 HydrophobicContact CZ-CG1 3.81Å; F916-L1052 HydrophobicContact CD1-CD1 3.62Å; F916-L1052 HydrophobicContact CE1-CD1 3.68Å |
| 917 | K | 81.4 | Confident | 76 | Confident | 98 Ų | 98 | 68.7 Ų | 68.7 | 43% | 0.426 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63 | -45 | 173 | -76.8 | 174 | -174.9 | 171.8 | 0 | 112.1 | M913 D914 V915 V919 L920 A921 Y1045 | M913-K917 WeakPolarHBondContact O-CG 3.2Å; M913-K917 PolarHBondContact O-N 3.04Å; D914-K917 IonicContact OD1-NZ 3.39Å; V915-K917 PolarHBondContact O-N 3.06Å; K917-V919 VanDerWaalsContact C-N 3.35Å; K917-L920 PolarHBondContact O-N 3.37Å; K917-A921 PolarHBondContact O-N 2.96Å; K917-Y1045 HydrophobicContact CG-CE1 4.05Å; K917-Y1045 HydrophobicContact CG-CE2 4.42Å; K917-Y1045 WeakPolarHBondContact CG-OH 3.23Å |
| 918 | T | 81.1 | Confident | 75.9 | Confident | 96 Ų | 96 | 68 Ų | 68 | 59% | 0.589 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.7 | -43.3 | 179.3 | -55.1 | 0 | 0 | 0 | 0 | 111 | D914 V915 A921 A922 | D914-T918 WeakPolarHBondContact O-CB 3.41Å; D914-T918 PolarHBondContact O-N 3.02Å; D914-T918 PolarHBondContact O-OG1 2.83Å; V915-T918 PolarHBondContact O-N 2.96Å; T918-A921 PolarHBondContact O-N 3.05Å; T918-A922 WeakPolarHBondContact O-CB 3.48Å; T918-A922 PolarHBondContact O-N 2.81Å; T918-A922 VanDerWaalsContact O-N 3.09Å |
| 919 | V | 79.4 | Confident | 75.7 | Confident | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.055 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 175.9 | 174.4 | 0 | 0 | 0 | 0 | 111 | V915 K917 A921 A922 V923 A940 I1048 L1052 | V915-V919 WeakPolarHBondContact O-CG2 3.49Å; V915-V919 PolarHBondContact O-N 3.17Å; K917-V919 VanDerWaalsContact C-N 3.35Å; V919-A921 VanDerWaalsContact C-N 3.31Å; V919-A921 PolarHBondContact O-N 3.23Å; V919-A922 PolarHBondContact O-N 2.68Å; V919-V923 HydrophobicContact CG1-CG2 4.01Å; V919-V923 WeakPolarHBondContact O-CB 3.17Å; V919-V923 WeakPolarHBondContact O-CG2 3.29Å; V919-V923 PolarHBondContact O-N 3.5Å; V919-A940 HydrophobicContact CG2-CB 3.76Å; V919-I1048 HydrophobicContact CB-CG2 4.45Å; V919-I1048 HydrophobicContact CG1-CG2 4Å; V919-L1052 HydrophobicContact CG1-CD1 4.39Å; V919-L1052 HydrophobicContact CG1-CD2 4.37Å; V919-L1052 HydrophobicContact CG2-CD1 4.35Å |
| 920 | L | 79.9 | Confident | 75.5 | Confident | 54 Ų | 54 | 61.9 Ų | 61.9 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.5 | -42 | 176.8 | -172.8 | 50.4 | 0 | 0 | 0 | 112.6 | F916 K917 N924 Y1045 I1048 | F916-L920 WeakPolarHBondContact O-CB 3.25Å; F916-L920 PolarHBondContact O-N 3Å; K917-L920 PolarHBondContact O-N 3.37Å; L920-N924 WeakPolarHBondContact CD1-ND2 3.43Å; L920-N924 PolarHBondContact O-N 3.41Å; L920-N924 PolarHBondContact O-ND2 2.89Å; L920-Y1045 HydrophobicContact CD2-CD1 3.84Å; L920-Y1045 HydrophobicContact CD2-CE1 3.61Å; L920-I1048 HydrophobicContact CB-CD1 3.49Å; L920-I1048 VanDerWaalsContact CB-CD1 3.49Å; L920-I1048 HydrophobicContact CD1-CD1 3.45Å; L920-I1048 VanDerWaalsContact CD1-CD1 3.45Å; L920-I1048 HydrophobicContact CD1-CG1 4.33Å; L920-I1048 HydrophobicContact CD2-CD1 3.91Å; L920-I1048 HydrophobicContact CG-CD1 3.75Å |
| 921 | A | 79.3 | Confident | 75 | Confident | 75 Ų | 75 | 57.7 Ų | 57.7 | 62% | 0.62 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.8 | -38.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | K917 T918 V919 | K917-A921 PolarHBondContact O-N 2.96Å; T918-A921 PolarHBondContact O-N 3.05Å; V919-A921 VanDerWaalsContact C-N 3.31Å; V919-A921 PolarHBondContact O-N 3.23Å |
| 922 | A | 75.1 | Confident | 74.8 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -75 | -25.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T918 V919 L936 | T918-A922 WeakPolarHBondContact O-CB 3.48Å; T918-A922 PolarHBondContact O-N 2.81Å; T918-A922 VanDerWaalsContact O-N 3.09Å; V919-A922 PolarHBondContact O-N 2.68Å; A922-L936 HydrophobicContact CB-CD1 3.72Å |
| 923 | V | 75.7 | Confident | 74.6 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -95.4 | -15.9 | -174.6 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | V919 P925 V926 Y937 L1105 Q1108 | V919-V923 HydrophobicContact CG1-CG2 4.01Å; V919-V923 WeakPolarHBondContact O-CB 3.17Å; V919-V923 WeakPolarHBondContact O-CG2 3.29Å; V919-V923 PolarHBondContact O-N 3.5Å; V923-P925 CarbonylContact O-C 3.17Å; V923-V926 PolarHBondContact O-N 3.43Å; V923-Y937 HydrophobicContact CG2-CE1 4.21Å; V923-L1105 HydrophobicContact CB-CD2 4.43Å; V923-L1105 HydrophobicContact CG1-CD2 3.34Å; V923-Q1108 PolarHBondContact O-NE2 3.22Å; V923-Q1108 PolarHBondContact O-OE1 2.79Å |
| 924 | N | 74.9 | Confident | 74.3 | Confident | 87 Ų | 87 | 61.8 Ų | 61.8 | 47% | 0.465 | 37% | 0.371 | S | S | . | . | trans | -83.2 | 129.3 | 172.7 | -82.4 | -31.8 | 0 | 0 | 0 | 111.4 | L920 V926 | L920-N924 WeakPolarHBondContact CD1-ND2 3.43Å; L920-N924 PolarHBondContact O-N 3.41Å; L920-N924 PolarHBondContact O-ND2 2.89Å; N924-V926 WeakPolarHBondContact OD1-CG2 3.34Å | ||
| 925 | P | 72.8 | Confident | 74.2 | Confident | 99 Ų | 99 | 65.5 Ų | 65.5 | 64% | 0.643 | 38% | 0.383 | S | S | * | . | S | Bend | cis | -81.1 | 137.6 | 5.8 | 31.8 | -33.7 | 0 | 0 | 0 | 113.5 | V923 Q927 G928 Q1108 | V923-P925 CarbonylContact O-C 3.17Å; P925-Q927 PolarHBondContact O-N 3.49Å; P925-G928 PolarHBondContact O-N 3.26Å; P925-Q1108 PolarHBondContact O-NE2 3.34Å |
| 926 | V | 67.7 | Low | 74.2 | Confident | 39 Ų | 39 | 66.7 Ų | 66.7 | 24% | 0.236 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.7 | -175.4 | -169.3 | 0 | 0 | 0 | 0 | 113.7 | V923 N924 A1104 L1105 Q1108 R1111 | V923-V926 PolarHBondContact O-N 3.43Å; N924-V926 WeakPolarHBondContact OD1-CG2 3.34Å; V926-A1104 HydrophobicContact CG1-CB 3.52Å; V926-L1105 HydrophobicContact CG1-CD2 4.26Å; V926-L1105 HydrophobicContact CG1-CG 4.5Å; V926-Q1108 PolarHBondContact O-OE1 3.12Å; V926-R1111 PolarHBondContact O-NH2 2.87Å; V926-R1111 VanDerWaalsContact O-NH2 3.15Å |
| 927 | Q | 64 | Low | 74.1 | Confident | 170 Ų | 170 | 66.9 Ų | 66.9 | 79% | 0.794 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -19.2 | 176.2 | -70.1 | -178.8 | -14.5 | 0 | 0 | 113.5 | P925 R1111 | P925-Q927 PolarHBondContact O-N 3.49Å; Q927-R1111 PolarHBondContact O-NH1 3.16Å |
| 928 | G | 67.8 | Low | 74 | Confident | 29 Ų | 29 | 65.1 Ų | 65.1 | 30% | 0.299 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -86.4 | 171.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P925 Q1108 | P925-G928 PolarHBondContact O-N 3.26Å; G928-Q1108 VanDerWaalsContact O-CG 3.27Å; G928-Q1108 WeakPolarHBondContact O-CG 3.37Å; G928-Q1108 PolarHBondContact O-NE2 3.2Å |
| 929 | I | 69.8 | Low | 74 | Confident | 99 Ų | 99 | 63.2 Ų | 63.2 | 51% | 0.508 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 137.1 | 177.8 | -63.7 | 173.1 | 0 | 0 | 0 | 109.9 | E1115 | I929-E1115 HydrophobicContact CD1-CG 4.35Š|
| 930 | V | 75.1 | Confident | 74 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 116.4 | 178.1 | -177 | 0 | 0 | 0 | 0 | 110.4 | A933 L936 Q1108 S1112 | V930-A933 HydrophobicContact CB-CB 4.31Å; V930-A933 HydrophobicContact CG1-CB 4.44Å; V930-A933 PolarHBondContact O-N 3.23Å; V930-L936 HydrophobicContact CG1-CD1 4.49Å; V930-Q1108 HydrophobicContact CG2-CG 4.35Å; V930-S1112 PolarHBondContact N-OG 3.39Å |
| 931 | A | 64.7 | Low | 74.1 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 69% | 0.694 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 133.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A933 | A931-A933 VanDerWaalsContact C-N 3.25Å; A931-A933 PolarHBondContact O-N 3Å |
| 932 | N | 69.9 | Low | 74.2 | Confident | 119 Ų | 119 | 61.5 Ų | 61.5 | 64% | 0.636 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 33.9 | -176.7 | -63.8 | -33.8 | 0 | 0 | 0 | 115 | S934 K935 L936 | N932-S934 VanDerWaalsContact C-N 3.29Å; N932-S934 PolarHBondContact O-N 3.13Å; N932-K935 PolarHBondContact O-N 3.31Å; N932-K935 VanDerWaalsContact O-N 3.16Å; N932-L936 PolarHBondContact O-N 3.17Å; N932-L936 VanDerWaalsContact O-N 3.15Å |
| 933 | A | 69.4 | Low | 74.5 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -41.3 | -47.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V930 A931 K935 L936 Y937 I1113 | V930-A933 HydrophobicContact CB-CB 4.31Å; V930-A933 HydrophobicContact CG1-CB 4.44Å; V930-A933 PolarHBondContact O-N 3.23Å; A931-A933 VanDerWaalsContact C-N 3.25Å; A931-A933 PolarHBondContact O-N 3Å; A933-K935 PolarHBondContact O-N 3.14Å; A933-L936 PolarHBondContact O-N 3.38Å; A933-Y937 HydrophobicContact CB-CD2 4.03Å; A933-Y937 HydrophobicContact CB-CE2 3.77Å; A933-Y937 WeakPolarHBondContact O-CB 3.47Å; A933-Y937 WeakPolarHBondContact O-CD2 3.34Å; A933-Y937 PolarHBondContact O-N 3.41Å; A933-I1113 HydrophobicContact CB-CG1 4.47Å |
| 934 | S | 70.7 | Confident | 74.7 | Confident | 68 Ų | 68 | 66.7 Ų | 66.7 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.8 | -46.8 | -179.1 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | N932 A938 Q1116 | N932-S934 VanDerWaalsContact C-N 3.29Å; N932-S934 PolarHBondContact O-N 3.13Å; S934-A938 WeakPolarHBondContact O-CB 3.41Å; S934-A938 PolarHBondContact O-N 3.34Å; S934-Q1116 PolarHBondContact OG-OE1 2.81Å; S934-Q1116 VanDerWaalsContact OG-OE1 3.07Å |
| 935 | K | 77.1 | Confident | 74.9 | Confident | 165 Ų | 165 | 67.2 Ų | 67.2 | 72% | 0.717 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -72 | -37.5 | 178.9 | -169.3 | 175.5 | -178.2 | 177.9 | 0 | 112.4 | N932 A933 S939 | N932-K935 PolarHBondContact O-N 3.31Å; N932-K935 VanDerWaalsContact O-N 3.16Å; A933-K935 PolarHBondContact O-N 3.14Å; K935-S939 VanDerWaalsContact O-CB 3.31Å; K935-S939 WeakPolarHBondContact O-CB 3.37Å; K935-S939 PolarHBondContact O-N 3.41Å |
| 936 | L | 80 | Confident | 75.2 | Confident | 53 Ų | 53 | 72.5 Ų | 72.5 | 28% | 0.277 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65 | -50.1 | 179.1 | -175.6 | 141.5 | 0 | 0 | 0 | 111.3 | A922 V930 N932 A933 S939 A940 | A922-L936 HydrophobicContact CB-CD1 3.72Å; V930-L936 HydrophobicContact CG1-CD1 4.49Å; N932-L936 PolarHBondContact O-N 3.17Å; N932-L936 VanDerWaalsContact O-N 3.15Å; A933-L936 PolarHBondContact O-N 3.38Å; L936-S939 PolarHBondContact O-N 3.29Å; L936-A940 WeakPolarHBondContact O-CB 3.39Å; L936-A940 PolarHBondContact O-N 3.02Å |
| 937 | Y | 80.1 | Confident | 75.8 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.016 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.1 | -40.5 | 179 | -63.9 | -52 | 0 | 0 | 0 | 112.1 | V923 A933 S939 A940 V941 F1051 L1052 F1109 | V923-Y937 HydrophobicContact CG2-CE1 4.21Å; A933-Y937 HydrophobicContact CB-CD2 4.03Å; A933-Y937 HydrophobicContact CB-CE2 3.77Å; A933-Y937 WeakPolarHBondContact O-CB 3.47Å; A933-Y937 WeakPolarHBondContact O-CD2 3.34Å; A933-Y937 PolarHBondContact O-N 3.41Å; Y937-S939 VanDerWaalsContact C-N 3.32Å; Y937-S939 PolarHBondContact O-N 3.49Å; Y937-A940 PolarHBondContact O-N 3.46Å; Y937-V941 VanDerWaalsContact O-CG2 3.31Å; Y937-V941 WeakPolarHBondContact O-CG2 3.42Å; Y937-V941 PolarHBondContact O-N 3.27Å; Y937-F1051 HydrophobicContact CD1-CE1 4.03Å; Y937-F1051 HydrophobicContact CD1-CZ 4.38Å; Y937-F1051 AromaticContact CE1-CE1 3.51Å; Y937-F1051 HydrophobicContact CE1-CE1 3.51Å; Y937-F1051 AromaticContact CE1-CZ 3.84Å; Y937-F1051 HydrophobicContact CE1-CZ 3.84Å; Y937-F1051 AromaticContact CZ-CZ 3.93Å; Y937-L1052 HydrophobicContact CD1-CD2 4.38Å; Y937-F1109 AromaticContact CD2-CD2 3.61Å; Y937-F1109 HydrophobicContact CD2-CD2 3.61Å; Y937-F1109 AromaticContact CD2-CE2 3.81Å; Y937-F1109 HydrophobicContact CD2-CE2 3.81Å; Y937-F1109 AromaticContact CE2-CD2 3.6Å; Y937-F1109 HydrophobicContact CE2-CD2 3.6Å; Y937-F1109 HydrophobicContact CE2-CE2 4.28Å; Y937-F1109 HydrophobicContact CG-CD2 4.34Å; Y937-F1109 HydrophobicContact CG-CE2 4.37Å |
| 938 | A | 79.5 | Confident | 76.6 | Confident | 61 Ų | 61 | 63.7 Ų | 63.7 | 50% | 0.504 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.2 | -40.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S934 A942 | S934-A938 WeakPolarHBondContact O-CB 3.41Å; S934-A938 PolarHBondContact O-N 3.34Å; A938-A942 WeakPolarHBondContact O-CB 3.08Å; A938-A942 PolarHBondContact O-N 2.81Å |
| 939 | S | 81.6 | Confident | 77.3 | Confident | 55 Ų | 55 | 64.7 Ų | 64.7 | 39% | 0.385 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 175.6 | -170.3 | 0 | 0 | 0 | 0 | 112.5 | K935 L936 Y937 K943 | K935-S939 VanDerWaalsContact O-CB 3.31Å; K935-S939 WeakPolarHBondContact O-CB 3.37Å; K935-S939 PolarHBondContact O-N 3.41Å; L936-S939 PolarHBondContact O-N 3.29Å; Y937-S939 VanDerWaalsContact C-N 3.32Å; Y937-S939 PolarHBondContact O-N 3.49Å; S939-K943 WeakPolarHBondContact O-CG 3.36Å; S939-K943 PolarHBondContact O-N 2.93Å; S939-K943 VanDerWaalsContact O-N 3.15Å |
| 940 | A | 79.3 | Confident | 77.9 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 6% | 0.058 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.7 | -41 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V915 V919 L936 Y937 K943 S944 L1052 | V915-A940 HydrophobicContact CG1-CB 4.45Å; V919-A940 HydrophobicContact CG2-CB 3.76Å; L936-A940 WeakPolarHBondContact O-CB 3.39Å; L936-A940 PolarHBondContact O-N 3.02Å; Y937-A940 PolarHBondContact O-N 3.46Å; A940-K943 PolarHBondContact O-N 3.38Å; A940-S944 WeakPolarHBondContact O-CB 3.46Å; A940-S944 PolarHBondContact O-N 3.05Å; A940-S944 PolarHBondContact O-OG 3.45Å; A940-L1052 HydrophobicContact CB-CD2 3.99Å |
| 941 | V | 82.1 | Confident | 78.3 | Confident | 22 Ų | 22 | 62.3 Ų | 62.3 | 13% | 0.133 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 175.4 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | Y937 K943 S944 Q945 V1055 A1056 | Y937-V941 VanDerWaalsContact O-CG2 3.31Å; Y937-V941 WeakPolarHBondContact O-CG2 3.42Å; Y937-V941 PolarHBondContact O-N 3.27Å; V941-K943 VanDerWaalsContact C-N 3.29Å; V941-K943 PolarHBondContact O-N 3.1Å; V941-S944 WeakPolarHBondContact CA-OG 3.46Å; V941-S944 CarbonylContact O-C 3.55Å; V941-S944 PolarHBondContact O-N 3.43Å; V941-S944 PolarHBondContact O-OG 2.8Å; V941-Q945 PolarHBondContact O-N 3.38Å; V941-V1055 HydrophobicContact CG2-CG1 4.27Å; V941-A1056 HydrophobicContact CB-CB 4.5Å; V941-A1056 HydrophobicContact CG1-CB 3.66Å; V941-A1056 HydrophobicContact CG2-CB 4.04Å |
| 942 | A | 81.7 | Confident | 79.3 | Confident | 73 Ų | 73 | 58.9 Ų | 58.9 | 60% | 0.603 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59 | -38.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A938 S944 | A938-A942 WeakPolarHBondContact O-CB 3.08Å; A938-A942 PolarHBondContact O-N 2.81Å; A942-S944 VanDerWaalsContact C-N 3.32Å; A942-S944 PolarHBondContact O-N 2.9Å |
| 943 | K | 81.3 | Confident | 80 | Confident | 150 Ų | 150 | 56.6 Ų | 56.6 | 65% | 0.652 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -73.5 | -20.1 | 177.4 | -70.2 | 177.4 | -176.8 | -179.4 | 0 | 113.8 | V915 S939 A940 V941 | V915-K943 HydrophobicContact CG2-CB 4.06Å; V915-K943 HydrophobicContact CG2-CD 4.07Å; S939-K943 WeakPolarHBondContact O-CG 3.36Å; S939-K943 PolarHBondContact O-N 2.93Å; S939-K943 VanDerWaalsContact O-N 3.15Å; A940-K943 PolarHBondContact O-N 3.38Å; V941-K943 VanDerWaalsContact C-N 3.29Å; V941-K943 PolarHBondContact O-N 3.1Å |
| 944 | S | 78.7 | Confident | 80.8 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -107.4 | 2 | -177 | 53.4 | 0 | 0 | 0 | 0 | 114.3 | A940 V941 A942 K946 I947 W948 | A940-S944 WeakPolarHBondContact O-CB 3.46Å; A940-S944 PolarHBondContact O-N 3.05Å; A940-S944 PolarHBondContact O-OG 3.45Å; V941-S944 WeakPolarHBondContact CA-OG 3.46Å; V941-S944 CarbonylContact O-C 3.55Å; V941-S944 PolarHBondContact O-N 3.43Å; V941-S944 PolarHBondContact O-OG 2.8Å; A942-S944 VanDerWaalsContact C-N 3.32Å; A942-S944 PolarHBondContact O-N 2.9Å; S944-K946 VanDerWaalsContact C-N 3.25Å; S944-K946 PolarHBondContact O-N 2.95Å; S944-I947 WeakPolarHBondContact O-CB 3.4Å; S944-I947 PolarHBondContact O-N 3.48Å; S944-W948 PolarHBondContact O-NE1 3.23Å; S944-W948 WeakPolarHBondContact OG-CZ2 3.34Å; S944-W948 PolarHBondContact OG-NE1 3.21Å |
| 945 | Q | 79.7 | Confident | 81.6 | Confident | 98 Ų | 98 | 54.6 Ų | 54.6 | 46% | 0.458 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.1 | -32.9 | -171.3 | -164.6 | 69.9 | -3.5 | 0 | 0 | 115.3 | V941 I947 W948 | V941-Q945 PolarHBondContact O-N 3.38Å; Q945-I947 PolarHBondContact O-N 3.23Å; Q945-W948 PolarHBondContact O-N 2.65Å |
| 946 | K | 79.1 | Confident | 82 | Confident | 210 Ų | 210 | 47.1 Ų | 47.1 | 91% | 0.913 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.8 | -22.5 | -179 | -67.3 | -176.2 | 179.3 | -179.9 | 0 | 113.4 | S944 | S944-K946 VanDerWaalsContact C-N 3.25Å; S944-K946 PolarHBondContact O-N 2.95Å |
| 947 | I | 80.3 | Confident | 82.4 | Confident | 20 Ų | 20 | 48 Ų | 48 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -83.8 | -33.7 | -176.4 | -59.1 | 168 | 0 | 0 | 0 | 110.7 | I906 A912 S944 Q945 G949 Y951 | I906-I947 HydrophobicContact CD1-CG2 3.43Å; I906-I947 VanDerWaalsContact CD1-CG2 3.43Å; I906-I947 HydrophobicContact CG1-CG2 3.67Å; A912-I947 HydrophobicContact CB-CD1 3.97Å; S944-I947 WeakPolarHBondContact O-CB 3.4Å; S944-I947 PolarHBondContact O-N 3.48Å; Q945-I947 PolarHBondContact O-N 3.23Å; I947-G949 PolarHBondContact O-N 3.06Å; I947-Y951 WeakPolarHBondContact O-CB 3.39Å; I947-Y951 PolarHBondContact O-N 3.41Å |
| 948 | W | 81.6 | Confident | 82.8 | Confident | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.019 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.5 | -21.7 | -165.7 | -54.9 | 138.1 | 0 | 0 | 0 | 115.3 | S944 Q945 Y951 L952 I1049 L1052 F1053 A1056 | S944-W948 PolarHBondContact O-NE1 3.23Å; S944-W948 WeakPolarHBondContact OG-CZ2 3.34Å; S944-W948 PolarHBondContact OG-NE1 3.21Å; Q945-W948 PolarHBondContact O-N 2.65Å; W948-Y951 HydrophobicContact CE3-CD1 4.3Å; W948-Y951 HydrophobicContact CE3-CG 4.2Å; W948-Y951 HydrophobicContact CZ3-CD1 4.41Å; W948-Y951 HydrophobicContact CZ3-CG 4.4Å; W948-L952 WeakPolarHBondContact O-CB 3.37Å; W948-L952 PolarHBondContact O-N 3.34Å; W948-I1049 HydrophobicContact CH2-CG2 4.21Å; W948-I1049 WeakPolarHBondContact CH2-O 3.27Å; W948-I1049 HydrophobicContact CZ3-CG2 4.2Å; W948-L1052 HydrophobicContact CH2-CB 4.25Å; W948-L1052 HydrophobicContact CZ2-CB 3.98Å; W948-F1053 HydrophobicContact CD2-CD2 4.11Å; W948-F1053 HydrophobicContact CE3-CB 3.94Å; W948-F1053 AromaticContact CE3-CD2 3.55Å; W948-F1053 HydrophobicContact CE3-CD2 3.55Å; W948-F1053 HydrophobicContact CE3-CG 4.19Å; W948-F1053 HydrophobicContact CH2-CB 4.03Å; W948-F1053 HydrophobicContact CZ3-CB 3.62Å; W948-F1053 HydrophobicContact CZ3-CD2 4.11Å; W948-F1053 HydrophobicContact CZ3-CG 4.29Å; W948-A1056 HydrophobicContact CG-CB 4.33Å |
| 949 | G | 82.5 | Confident | 83.2 | Confident | 50 Ų | 50 | 45.1 Ų | 45.1 | 52% | 0.515 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.9 | -55.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I947 Y951 L952 E953 | I947-G949 PolarHBondContact O-N 3.06Å; G949-Y951 VanDerWaalsContact C-N 3.34Å; G949-L952 PolarHBondContact O-N 3.32Å; G949-E953 PolarHBondContact O-N 2.92Å |
| 950 | A | 81.6 | Confident | 83.5 | Confident | 58 Ų | 58 | 43 Ų | 43 | 48% | 0.479 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.1 | -35.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E953 S954 | A950-E953 PolarHBondContact O-N 3.43Å; A950-S954 PolarHBondContact O-N 3.01Å; A950-S954 VanDerWaalsContact O-N 3.14Å; A950-S954 PolarHBondContact O-OG 3.03Å |
| 951 | Y | 84.3 | Confident | 84 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 177.4 | -158.2 | -87.9 | 0 | 0 | 0 | 111.9 | F898 M901 L902 I906 I947 W948 G949 I955 I1049 N1050 F1053 | F898-Y951 HydrophobicContact CE2-CD1 4.36Å; F898-Y951 AromaticContact CE2-CD2 3.56Å; F898-Y951 HydrophobicContact CE2-CD2 3.56Å; F898-Y951 HydrophobicContact CE2-CE1 4.13Å; F898-Y951 AromaticContact CE2-CE2 3.27Å; F898-Y951 HydrophobicContact CE2-CE2 3.27Å; F898-Y951 HydrophobicContact CE2-CG 4.1Å; F898-Y951 AromaticContact CE2-CZ 3.58Å; F898-Y951 HydrophobicContact CZ-CD2 4.09Å; F898-Y951 HydrophobicContact CZ-CE1 4.32Å; F898-Y951 AromaticContact CZ-CE2 3.31Å; F898-Y951 HydrophobicContact CZ-CE2 3.31Å; F898-Y951 AromaticContact CZ-CZ 3.44Å; F898-Y951 VanDerWaalsContact CZ-CZ 3.44Å; F898-Y951 WeakPolarHBondContact CZ-OH 3.4Å; M901-Y951 HydrophobicContact CE-CD2 4.14Å; L902-Y951 HydrophobicContact CD1-CE2 4.48Å; I906-Y951 HydrophobicContact CD1-CD2 4.03Å; I906-Y951 HydrophobicContact CD1-CE2 4.11Å; I947-Y951 WeakPolarHBondContact O-CB 3.39Å; I947-Y951 PolarHBondContact O-N 3.41Å; W948-Y951 HydrophobicContact CE3-CD1 4.3Å; W948-Y951 HydrophobicContact CE3-CG 4.2Å; W948-Y951 HydrophobicContact CZ3-CD1 4.41Å; W948-Y951 HydrophobicContact CZ3-CG 4.4Å; G949-Y951 VanDerWaalsContact C-N 3.34Å; Y951-I955 HydrophobicContact CD1-CD1 3.28Å; Y951-I955 HydrophobicContact CD1-CG1 4.43Å; Y951-I955 HydrophobicContact CE1-CD1 3.13Å; Y951-I955 HydrophobicContact CE1-CG1 4.44Å; Y951-I955 HydrophobicContact CG-CD1 4.33Å; Y951-I955 WeakPolarHBondContact O-CG1 3.38Å; Y951-I955 PolarHBondContact O-N 3.44Å; Y951-I955 VanDerWaalsContact O-N 3.15Å; Y951-I1049 HydrophobicContact CE2-CG2 4.15Å; Y951-N1050 PolarHBondContact OH-OD1 3.31Å; Y951-F1053 HydrophobicContact CD1-CB 4.28Å; Y951-F1053 AromaticContact CD1-CD1 3.96Å; Y951-F1053 HydrophobicContact CD1-CD1 3.96Å; Y951-F1053 AromaticContact CD1-CD2 3.39Å; Y951-F1053 HydrophobicContact CD1-CD2 3.39Å; Y951-F1053 HydrophobicContact CD1-CE1 4.1Å; Y951-F1053 AromaticContact CD1-CE2 3.56Å; Y951-F1053 HydrophobicContact CD1-CE2 3.56Å; Y951-F1053 AromaticContact CD1-CG 3.59Å; Y951-F1053 HydrophobicContact CD1-CG 3.59Å; Y951-F1053 AromaticContact CD1-CZ 3.91Å; Y951-F1053 HydrophobicContact CD1-CZ 3.91Å; Y951-F1053 HydrophobicContact CE1-CB 3.96Å; Y951-F1053 AromaticContact CE1-CD1 3.75Å; Y951-F1053 HydrophobicContact CE1-CD1 3.75Å; Y951-F1053 AromaticContact CE1-CD2 3.91Å; Y951-F1053 HydrophobicContact CE1-CD2 3.91Å; Y951-F1053 HydrophobicContact CE1-CE1 4.2Å; Y951-F1053 HydrophobicContact CE1-CE2 4.34Å; Y951-F1053 AromaticContact CE1-CG 3.58Å; Y951-F1053 HydrophobicContact CE1-CG 3.58Å; Y951-F1053 HydrophobicContact CE1-CZ 4.46Å; Y951-F1053 HydrophobicContact CG-CD2 4.3Å; Y951-F1053 HydrophobicContact CG-CE2 4.44Å |
| 952 | L | 84.5 | Confident | 84.3 | Confident | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 175.9 | 179.3 | 66.8 | 0 | 0 | 0 | 111.4 | W948 G949 S954 I955 M956 F1053 Q1057 V1078 L1083 | W948-L952 WeakPolarHBondContact O-CB 3.37Å; W948-L952 PolarHBondContact O-N 3.34Å; G949-L952 PolarHBondContact O-N 3.32Å; L952-S954 PolarHBondContact O-N 3.27Å; L952-I955 PolarHBondContact O-N 3.38Å; L952-M956 HydrophobicContact CD1-CG 3.97Å; L952-M956 HydrophobicContact CD1-SD 3.48Å; L952-M956 WeakPolarHBondContact CD1-SD 3.39Å; L952-M956 HydrophobicContact CD2-SD 4.19Å; L952-M956 HydrophobicContact CG-CG 4.34Å; L952-M956 HydrophobicContact CG-SD 3.57Å; L952-M956 VanDerWaalsContact CG-SD 3.57Å; L952-M956 WeakPolarHBondContact O-CB 3.32Å; L952-M956 VanDerWaalsContact O-CG 3.32Å; L952-M956 WeakPolarHBondContact O-CG 3.36Å; L952-M956 PolarHBondContact O-N 3.06Å; L952-F1053 HydrophobicContact CB-CE2 4.03Å; L952-F1053 HydrophobicContact CB-CZ 4.22Å; L952-F1053 HydrophobicContact CD1-CE2 4.27Å; L952-F1053 HydrophobicContact CD1-CZ 3.84Å; L952-Q1057 HydrophobicContact CD1-CG 4.35Å; L952-V1078 HydrophobicContact CD1-CG2 4.49Å; L952-V1078 HydrophobicContact CD2-CG2 3.89Å; L952-L1083 HydrophobicContact CD1-CD1 3.76Å |
| 953 | E | 85.1 | Confident | 84.6 | Confident | 71 Ų | 71 | 38.7 Ų | 38.7 | 33% | 0.332 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.1 | -45.7 | -179.9 | -177.8 | 169.1 | 165.1 | 0 | 0 | 112.3 | K842 G949 A950 I955 K957 | K842-E953 IonicContact NZ-OE1 3.92Å; K842-E953 PolarHBondContact NZ-OE1 2.71Å; K842-E953 IonicContact NZ-OE2 3.29Å; K842-E953 PolarHBondContact NZ-OE2 3.35Å; G949-E953 PolarHBondContact O-N 2.92Å; A950-E953 PolarHBondContact O-N 3.43Å; E953-I955 PolarHBondContact O-N 3.45Å; E953-K957 HydrophobicContact CG-CD 4.32Å; E953-K957 WeakPolarHBondContact O-CB 3.42Å; E953-K957 VanDerWaalsContact O-CG 3.31Å; E953-K957 WeakPolarHBondContact O-CG 3.26Å; E953-K957 PolarHBondContact O-N 3.41Å; E953-K957 VanDerWaalsContact OE1-CE 3.28Å; E953-K957 WeakPolarHBondContact OE1-CE 3.27Å; E953-K957 IonicContact OE1-NZ 3.71Å; E953-K957 PolarHBondContact OE1-NZ 3.34Å |
| 954 | S | 85.6 | Confident | 85 | Confident | 21 Ų | 21 | 31.7 Ų | 31.7 | 15% | 0.147 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 177.5 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | A950 L952 K957 V958 | A950-S954 PolarHBondContact O-N 3.01Å; A950-S954 VanDerWaalsContact O-N 3.14Å; A950-S954 PolarHBondContact O-OG 3.03Å; L952-S954 PolarHBondContact O-N 3.27Å; S954-K957 PolarHBondContact O-N 3.23Å; S954-V958 WeakPolarHBondContact O-CG2 3.44Å; S954-V958 PolarHBondContact O-N 3.02Å; S954-V958 VanDerWaalsContact O-N 3.08Å |
| 955 | I | 87.6 | Confident | 85.5 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.7 | -42.5 | -178.8 | -73.3 | 166.7 | 0 | 0 | 0 | 111.6 | F898 Y951 L952 E953 K957 V958 G959 F1053 L1083 M1087 L1090 | F898-I955 HydrophobicContact CE2-CD1 4.48Å; Y951-I955 HydrophobicContact CD1-CD1 3.28Å; Y951-I955 HydrophobicContact CD1-CG1 4.43Å; Y951-I955 HydrophobicContact CE1-CD1 3.13Å; Y951-I955 HydrophobicContact CE1-CG1 4.44Å; Y951-I955 HydrophobicContact CG-CD1 4.33Å; Y951-I955 WeakPolarHBondContact O-CG1 3.38Å; Y951-I955 PolarHBondContact O-N 3.44Å; Y951-I955 VanDerWaalsContact O-N 3.15Å; L952-I955 PolarHBondContact O-N 3.38Å; E953-I955 PolarHBondContact O-N 3.45Å; I955-K957 VanDerWaalsContact C-N 3.31Å; I955-K957 PolarHBondContact O-N 3.24Å; I955-V958 PolarHBondContact O-N 3.45Å; I955-G959 PolarHBondContact O-N 3.09Å; I955-F1053 HydrophobicContact CD1-CD1 4.04Å; I955-F1053 HydrophobicContact CD1-CE1 3.52Å; I955-F1053 HydrophobicContact CD1-CZ 3.85Å; I955-F1053 HydrophobicContact CG2-CE1 4.47Å; I955-L1083 HydrophobicContact CG2-CD1 4.14Å; I955-M1087 HydrophobicContact CD1-SD 3.58Å; I955-M1087 VanDerWaalsContact CD1-SD 3.58Å; I955-M1087 HydrophobicContact CG2-CG 4.09Å; I955-M1087 HydrophobicContact CG2-SD 4.26Å; I955-L1090 HydrophobicContact CD1-CD2 4.31Å |
| 956 | M | 87.1 | Confident | 85.9 | Confident | 7 Ų | 7 | 29.3 Ų | 29.3 | 3% | 0.034 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | 177.7 | -73.3 | 178.3 | 58.9 | 0 | 0 | 111.5 | P841 L952 G959 Q960 P1077 D1079 | P841-M956 HydrophobicContact CB-CB 4.3Å; P841-M956 HydrophobicContact CB-CE 3.25Å; P841-M956 HydrophobicContact CG-CB 4.42Å; P841-M956 HydrophobicContact CG-CE 4.42Å; L952-M956 HydrophobicContact CD1-CG 3.97Å; L952-M956 HydrophobicContact CD1-SD 3.48Å; L952-M956 WeakPolarHBondContact CD1-SD 3.39Å; L952-M956 HydrophobicContact CD2-SD 4.19Å; L952-M956 HydrophobicContact CG-CG 4.34Å; L952-M956 HydrophobicContact CG-SD 3.57Å; L952-M956 VanDerWaalsContact CG-SD 3.57Å; L952-M956 WeakPolarHBondContact O-CB 3.32Å; L952-M956 VanDerWaalsContact O-CG 3.32Å; L952-M956 WeakPolarHBondContact O-CG 3.36Å; L952-M956 PolarHBondContact O-N 3.06Å; M956-G959 PolarHBondContact O-N 3.39Å; M956-Q960 VanDerWaalsContact O-CB 3.31Å; M956-Q960 WeakPolarHBondContact O-CB 3.45Å; M956-Q960 PolarHBondContact O-N 3.24Å; M956-P1077 WeakPolarHBondContact CE-O 3.01Å; M956-D1079 HydrophobicContact CE-CB 4.21Å |
| 957 | K | 87.3 | Confident | 86.3 | Confident | 71 Ų | 71 | 19.9 Ų | 19.9 | 31% | 0.309 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 172.1 | -76.1 | 177.5 | -174.4 | 172.5 | 0 | 112.2 | E953 S954 I955 G959 Q960 M961 | E953-K957 HydrophobicContact CG-CD 4.32Å; E953-K957 WeakPolarHBondContact O-CB 3.42Å; E953-K957 VanDerWaalsContact O-CG 3.31Å; E953-K957 WeakPolarHBondContact O-CG 3.26Å; E953-K957 PolarHBondContact O-N 3.41Å; E953-K957 VanDerWaalsContact OE1-CE 3.28Å; E953-K957 WeakPolarHBondContact OE1-CE 3.27Å; E953-K957 IonicContact OE1-NZ 3.71Å; E953-K957 PolarHBondContact OE1-NZ 3.34Å; S954-K957 PolarHBondContact O-N 3.23Å; I955-K957 VanDerWaalsContact C-N 3.31Å; I955-K957 PolarHBondContact O-N 3.24Å; K957-G959 VanDerWaalsContact C-N 3.33Å; K957-G959 PolarHBondContact O-N 2.91Å; K957-Q960 PolarHBondContact O-N 3.4Å; K957-M961 HydrophobicContact CB-CE 4.34Å; K957-M961 WeakPolarHBondContact O-CG 3.42Å; K957-M961 PolarHBondContact O-N 2.87Å |
| 958 | V | 88.3 | Confident | 86.7 | Confident | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.03 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | I891 E894 L895 S954 I955 M961 Q962 T1089 | I891-V958 HydrophobicContact CG2-CG1 4.39Å; E894-V958 HydrophobicContact CB-CG2 4.15Å; L895-V958 HydrophobicContact CD2-CG2 4.27Å; L895-V958 HydrophobicContact CG-CG2 4.49Å; S954-V958 WeakPolarHBondContact O-CG2 3.44Å; S954-V958 PolarHBondContact O-N 3.02Å; S954-V958 VanDerWaalsContact O-N 3.08Å; I955-V958 PolarHBondContact O-N 3.45Å; V958-M961 PolarHBondContact O-N 2.96Å; V958-Q962 HydrophobicContact CG1-CG 4.49Å; V958-Q962 VanDerWaalsContact O-CG 3.24Å; V958-Q962 WeakPolarHBondContact O-CG 3.4Å; V958-Q962 PolarHBondContact O-N 3.04Å; V958-T1089 HydrophobicContact CG1-CG2 3.84Å |
| 959 | G | 87.3 | Confident | 87 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.9 | -42.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | I955 M956 K957 M961 Q962 I963 P1082 | I955-G959 PolarHBondContact O-N 3.09Å; M956-G959 PolarHBondContact O-N 3.39Å; K957-G959 VanDerWaalsContact C-N 3.33Å; K957-G959 PolarHBondContact O-N 2.91Å; G959-M961 PolarHBondContact O-N 3.11Å; G959-Q962 PolarHBondContact O-N 3.47Å; G959-I963 WeakPolarHBondContact O-CG1 3.37Å; G959-I963 PolarHBondContact O-N 3.25Å; G959-P1082 VanDerWaalsContact CA-O 3.28Å; G959-P1082 WeakPolarHBondContact CA-O 3.33Å |
| 960 | Q | 89.6 | Confident | 87.3 | Confident | 11 Ų | 11 | 20.5 Ų | 20.5 | 5% | 0.051 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.3 | -49.7 | 173.5 | -179.8 | -165.1 | 1.7 | 0 | 0 | 110.8 | L836 T839 P841 M956 K957 Q962 I963 L964 | L836-Q960 HydrophobicContact CD2-CG 4.42Å; L836-Q960 PolarHBondContact O-NE2 2.66Å; T839-Q960 VanDerWaalsContact O-CD 3.31Å; T839-Q960 PolarHBondContact O-NE2 2.83Å; T839-Q960 PolarHBondContact OG1-NE2 3.23Å; P841-Q960 VanDerWaalsContact CD-OE1 3.24Å; P841-Q960 HydrophobicContact CG-CB 3.83Å; P841-Q960 HydrophobicContact CG-CG 4.11Å; M956-Q960 VanDerWaalsContact O-CB 3.31Å; M956-Q960 WeakPolarHBondContact O-CB 3.45Å; M956-Q960 PolarHBondContact O-N 3.24Å; K957-Q960 PolarHBondContact O-N 3.4Å; Q960-Q962 VanDerWaalsContact C-N 3.29Å; Q960-Q962 PolarHBondContact O-N 3.36Å; Q960-I963 PolarHBondContact O-N 3.02Å; Q960-L964 WeakPolarHBondContact O-CG 3.22Å; Q960-L964 PolarHBondContact O-N 2.92Å; Q960-L964 VanDerWaalsContact O-N 3.11Å |
| 961 | M | 89.3 | Confident | 87.6 | Confident | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.034 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 178 | -66.1 | 178.9 | -151.6 | 0 | 0 | 111.5 | L836 L887 M890 I891 E894 K957 V958 G959 L964 R965 | L836-M961 HydrophobicContact CD2-CG 3.99Å; L887-M961 HydrophobicContact CD2-CB 4.21Å; L887-M961 HydrophobicContact CD2-CG 3.99Å; M890-M961 HydrophobicContact CB-CE 4.28Å; M890-M961 HydrophobicContact CB-SD 3.76Å; M890-M961 HydrophobicContact CE-CE 4.4Å; I891-M961 HydrophobicContact CD1-CB 3.93Å; I891-M961 HydrophobicContact CG1-CB 3.79Å; I891-M961 HydrophobicContact CG1-CG 4.41Å; I891-M961 HydrophobicContact CG1-SD 3.72Å; E894-M961 HydrophobicContact CG-CE 4.02Å; K957-M961 HydrophobicContact CB-CE 4.34Å; K957-M961 WeakPolarHBondContact O-CG 3.42Å; K957-M961 PolarHBondContact O-N 2.87Å; V958-M961 PolarHBondContact O-N 2.96Å; G959-M961 PolarHBondContact O-N 3.11Å; M961-L964 PolarHBondContact O-N 3.45Å; M961-R965 VanDerWaalsContact O-CG 3.31Å; M961-R965 WeakPolarHBondContact O-CG 3.36Å; M961-R965 PolarHBondContact O-N 2.92Å |
| 962 | Q | 88.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 177.9 | -70.6 | -73.6 | 0.6 | 0 | 0 | 113.3 | I891 V958 G959 Q960 L964 R965 Q966 L1033 Y1037 T1089 | I891-Q962 HydrophobicContact CD1-CG 4.34Å; V958-Q962 HydrophobicContact CG1-CG 4.49Å; V958-Q962 VanDerWaalsContact O-CG 3.24Å; V958-Q962 WeakPolarHBondContact O-CG 3.4Å; V958-Q962 PolarHBondContact O-N 3.04Å; G959-Q962 PolarHBondContact O-N 3.47Å; Q960-Q962 VanDerWaalsContact C-N 3.29Å; Q960-Q962 PolarHBondContact O-N 3.36Å; Q962-L964 VanDerWaalsContact C-N 3.34Å; Q962-R965 PolarHBondContact O-N 2.93Å; Q962-Q966 PolarHBondContact O-N 2.88Å; Q962-L1033 HydrophobicContact CB-CD2 4.02Å; Q962-L1033 HydrophobicContact CG-CD2 4.35Å; Q962-Y1037 VanDerWaalsContact NE2-CE2 3.34Å; Q962-Y1037 PolarHBondContact NE2-OH 3.45Å; Q962-T1089 HydrophobicContact CG-CG2 4.44Å; Q962-T1089 WeakPolarHBondContact CG-OG1 3.45Å; Q962-T1089 VanDerWaalsContact NE2-CG2 3.33Å; Q962-T1089 PolarHBondContact NE2-OG1 2.93Å |
| 963 | I | 88.3 | Confident | 88 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 173.9 | -68.2 | 161.6 | 0 | 0 | 0 | 109.8 | Y846 W853 G959 Q960 R965 Q966 Q967 P1081 P1082 L1085 | Y846-I963 HydrophobicContact CD1-CD1 3.97Å; Y846-I963 HydrophobicContact CD1-CG2 4.19Å; Y846-I963 HydrophobicContact CD2-CG2 4.26Å; Y846-I963 HydrophobicContact CE1-CD1 4.43Å; Y846-I963 HydrophobicContact CE1-CG2 3.86Å; Y846-I963 HydrophobicContact CE2-CG2 3.94Å; Y846-I963 HydrophobicContact CG-CD1 4.4Å; Y846-I963 HydrophobicContact CG-CG2 4.36Å; W853-I963 HydrophobicContact CH2-CG2 4.31Å; W853-I963 HydrophobicContact CZ2-CG2 3.75Å; G959-I963 WeakPolarHBondContact O-CG1 3.37Å; G959-I963 PolarHBondContact O-N 3.25Å; Q960-I963 PolarHBondContact O-N 3.02Å; I963-R965 VanDerWaalsContact C-N 3.31Å; I963-R965 PolarHBondContact O-N 3.19Å; I963-Q966 PolarHBondContact O-N 3.42Å; I963-Q966 VanDerWaalsContact O-N 3.15Å; I963-Q967 HydrophobicContact CG2-CG 4.46Å; I963-Q967 WeakPolarHBondContact O-CG 3.13Å; I963-Q967 PolarHBondContact O-N 3.25Å; I963-P1081 HydrophobicContact CD1-CB 4.27Å; I963-P1082 HydrophobicContact CD1-CB 4.2Å; I963-P1082 HydrophobicContact CD1-CG 3.63Å; I963-L1085 HydrophobicContact CD1-CD1 3.97Å; I963-L1085 HydrophobicContact CG1-CD1 3.28Å |
| 964 | L | 89.2 | Confident | 88.1 | Confident | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.1 | -44.8 | 178 | -66.7 | 172.9 | 0 | 0 | 0 | 111.3 | I835 L836 T839 W853 F868 L887 Q960 M961 Q962 Q966 Q967 I968 | I835-L964 HydrophobicContact CG2-CD1 3.93Å; I835-L964 HydrophobicContact CG2-CD2 3.88Å; L836-L964 HydrophobicContact CD2-CD1 3.67Å; T839-L964 HydrophobicContact CG2-CD2 4.34Å; W853-L964 HydrophobicContact CH2-CD2 4.04Å; W853-L964 HydrophobicContact CZ2-CD2 3.8Å; F868-L964 HydrophobicContact CZ-CD2 3.86Å; L887-L964 HydrophobicContact CD1-CB 4.01Å; Q960-L964 WeakPolarHBondContact O-CG 3.22Å; Q960-L964 PolarHBondContact O-N 2.92Å; Q960-L964 VanDerWaalsContact O-N 3.11Å; M961-L964 PolarHBondContact O-N 3.45Å; Q962-L964 VanDerWaalsContact C-N 3.34Å; L964-Q966 VanDerWaalsContact C-N 3.34Å; L964-Q966 PolarHBondContact O-N 2.98Å; L964-Q967 PolarHBondContact O-N 3.12Å; L964-I968 VanDerWaalsContact O-CG1 3.25Å; L964-I968 WeakPolarHBondContact O-CG1 2.98Å; L964-I968 PolarHBondContact O-N 3.29Å |
| 965 | R | 89.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.9 | -40.4 | 175.8 | -70.3 | -168.5 | 66.5 | -164.5 | -9.1 | 113.1 | D884 L887 C888 M961 Q962 I963 I968 A969 P1032 Y1037 | D884-R965 WeakPolarHBondContact OD1-CB 3.35Å; D884-R965 VanDerWaalsContact OD1-CG 3.26Å; D884-R965 WeakPolarHBondContact OD1-CG 3.49Å; D884-R965 IonicContact OD1-CZ 3.77Å; D884-R965 IonicContact OD1-NE 2.93Å; D884-R965 PolarHBondContact OD1-NE 3.16Å; D884-R965 IonicContact OD1-NH2 2.74Å; D884-R965 PolarHBondContact OD1-NH2 3.11Å; D884-R965 IonicContact OD2-CZ 2.73Å; D884-R965 IonicContact OD2-NE 2.82Å; D884-R965 PolarHBondContact OD2-NE 3.22Å; D884-R965 IonicContact OD2-NH2 3.21Å; D884-R965 PolarHBondContact OD2-NH2 3.43Å; L887-R965 HydrophobicContact CB-CG 3.9Å; L887-R965 HydrophobicContact CD1-CG 3.84Å; C888-R965 PolarHBondContact SG-NH1 3.1Å; C888-R965 PolarHBondContact SG-NH2 3.35Å; C888-R965 VanDerWaalsContact SG-NH2 3.38Å; M961-R965 VanDerWaalsContact O-CG 3.31Å; M961-R965 WeakPolarHBondContact O-CG 3.36Å; M961-R965 PolarHBondContact O-N 2.92Å; Q962-R965 PolarHBondContact O-N 2.93Å; I963-R965 VanDerWaalsContact C-N 3.31Å; I963-R965 PolarHBondContact O-N 3.19Å; R965-I968 PolarHBondContact O-N 3.06Å; R965-A969 WeakPolarHBondContact O-CB 3.36Å; R965-A969 PolarHBondContact O-N 3.49Å; R965-P1032 HydrophobicContact CB-CB 4.04Å; R965-P1032 HydrophobicContact CB-CG 4.26Å; R965-Y1037 VanDerWaalsContact NH1-CE1 3.32Å; R965-Y1037 VanDerWaalsContact NH1-CZ 3.34Å; R965-Y1037 PolarHBondContact NH1-OH 3.38Å |
| 966 | Q | 88.1 | Confident | 88.1 | Confident | 53 Ų | 53 | 24.3 Ų | 24.3 | 25% | 0.248 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.8 | -40.6 | 177 | -169 | 176.1 | -10.5 | 0 | 0 | 111.8 | Q962 I963 L964 A969 N970 | Q962-Q966 PolarHBondContact O-N 2.88Å; I963-Q966 PolarHBondContact O-N 3.42Å; I963-Q966 VanDerWaalsContact O-N 3.15Å; L964-Q966 VanDerWaalsContact C-N 3.34Å; L964-Q966 PolarHBondContact O-N 2.98Å; Q966-A969 PolarHBondContact O-N 2.95Å; Q966-N970 PolarHBondContact O-N 3.22Å; Q966-N970 PolarHBondContact O-ND2 3.41Å; Q966-N970 PolarHBondContact O-OD1 3.36Å |
| 967 | Q | 87.4 | Confident | 88.1 | Confident | 13 Ų | 13 | 28.7 Ų | 28.7 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | 175.5 | -64.2 | -59.3 | -31.4 | 0 | 0 | 112.1 | Y846 N851 W853 F868 I963 L964 N970 E971 | Y846-Q967 PolarHBondContact OH-NE2 3.38Å; N851-Q967 PolarHBondContact OD1-NE2 2.92Å; W853-Q967 HydrophobicContact CH2-CG 4.09Å; F868-Q967 HydrophobicContact CD2-CB 3.92Å; F868-Q967 HydrophobicContact CE2-CB 3.46Å; F868-Q967 VanDerWaalsContact CE2-CB 3.46Å; F868-Q967 HydrophobicContact CE2-CG 4.18Å; F868-Q967 HydrophobicContact CZ-CB 3.84Å; I963-Q967 HydrophobicContact CG2-CG 4.46Å; I963-Q967 WeakPolarHBondContact O-CG 3.13Å; I963-Q967 PolarHBondContact O-N 3.25Å; L964-Q967 PolarHBondContact O-N 3.12Å; Q967-N970 PolarHBondContact O-N 3.33Å; Q967-E971 PolarHBondContact O-N 3.01Å |
| 968 | I | 88.9 | Confident | 88 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 173.4 | -68.9 | 166 | 0 | 0 | 0 | 110.9 | F868 L880 L883 D884 L887 L964 R965 N970 E971 L972 | F868-I968 HydrophobicContact CD1-CG1 3.67Å; F868-I968 HydrophobicContact CE1-CD1 4.23Å; F868-I968 HydrophobicContact CE1-CG1 3.57Å; L880-I968 HydrophobicContact CB-CG2 4.01Å; L880-I968 HydrophobicContact CD2-CG1 4.34Å; L880-I968 HydrophobicContact CD2-CG2 4.42Å; L883-I968 HydrophobicContact CB-CD1 4.21Å; D884-I968 HydrophobicContact CB-CG2 4.31Å; L887-I968 HydrophobicContact CD1-CD1 3.97Å; L964-I968 VanDerWaalsContact O-CG1 3.25Å; L964-I968 WeakPolarHBondContact O-CG1 2.98Å; L964-I968 PolarHBondContact O-N 3.29Å; R965-I968 PolarHBondContact O-N 3.06Å; I968-N970 VanDerWaalsContact C-N 3.31Å; I968-N970 PolarHBondContact O-N 3.15Å; I968-E971 PolarHBondContact O-N 3.05Å; I968-L972 HydrophobicContact CG2-CD1 3.89Å; I968-L972 HydrophobicContact CG2-CG 4.35Å; I968-L972 WeakPolarHBondContact O-CB 3.28Å; I968-L972 WeakPolarHBondContact O-CG 3.49Å; I968-L972 PolarHBondContact O-N 3.04Å |
| 969 | A | 88.2 | Confident | 87.8 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.1 | -38.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R965 Q966 N973 P1032 | R965-A969 WeakPolarHBondContact O-CB 3.36Å; R965-A969 PolarHBondContact O-N 3.49Å; Q966-A969 PolarHBondContact O-N 2.95Å; A969-N973 VanDerWaalsContact O-CB 3.28Å; A969-N973 WeakPolarHBondContact O-CB 3.48Å; A969-N973 PolarHBondContact O-N 2.99Å; A969-P1032 HydrophobicContact CB-CG 4.26Å |
| 970 | N | 88.1 | Confident | 87.7 | Confident | 80 Ų | 80 | 40.7 Ų | 40.7 | 43% | 0.428 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.8 | -70.3 | -20.7 | 0 | 0 | 0 | 111.9 | Q966 Q967 I968 N973 Y974 | Q966-N970 PolarHBondContact O-N 3.22Å; Q966-N970 PolarHBondContact O-ND2 3.41Å; Q966-N970 PolarHBondContact O-OD1 3.36Å; Q967-N970 PolarHBondContact O-N 3.33Å; I968-N970 VanDerWaalsContact C-N 3.31Å; I968-N970 PolarHBondContact O-N 3.15Å; N970-N973 PolarHBondContact O-N 2.95Å; N970-Y974 WeakPolarHBondContact O-CB 3.49Å; N970-Y974 PolarHBondContact O-N 3.19Å |
| 971 | E | 88.1 | Confident | 87.7 | Confident | 26 Ų | 26 | 47.6 Ų | 47.6 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 179.2 | -170.4 | 64.9 | -173.5 | 0 | 0 | 111.7 | F868 S869 L880 Q967 I968 N973 Y974 S975 | F868-E971 HydrophobicContact CB-CB 4.1Å; F868-E971 HydrophobicContact CB-CG 4.03Å; S869-E971 VanDerWaalsContact CA-OE1 3.3Å; S869-E971 WeakPolarHBondContact CA-OE1 3.5Å; S869-E971 VanDerWaalsContact CB-OE1 3.25Å; S869-E971 WeakPolarHBondContact CB-OE1 3.06Å; S869-E971 VanDerWaalsContact OG-CD 3.31Å; S869-E971 PolarHBondContact OG-OE1 2.89Å; L880-E971 HydrophobicContact CD1-CB 4.48Å; L880-E971 HydrophobicContact CD1-CG 4.2Å; Q967-E971 PolarHBondContact O-N 3.01Å; I968-E971 PolarHBondContact O-N 3.05Å; E971-N973 VanDerWaalsContact C-N 3.32Å; E971-N973 PolarHBondContact O-N 3.15Å; E971-Y974 PolarHBondContact O-N 3.44Å; E971-S975 PolarHBondContact O-N 3.07Å |
| 972 | L | 87.6 | Confident | 87.8 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.8 | -43 | 175.4 | -74.2 | 174.2 | 0 | 0 | 0 | 112 | T877 L880 I968 C976 | T877-L972 HydrophobicContact CG2-CD2 4.3Å; L880-L972 HydrophobicContact CB-CD1 4.4Å; L880-L972 HydrophobicContact CB-CD2 3.88Å; L880-L972 HydrophobicContact CB-CG 4.19Å; L880-L972 HydrophobicContact CD1-CD2 3.99Å; L880-L972 HydrophobicContact CD1-CG 4.23Å; I968-L972 HydrophobicContact CG2-CD1 3.89Å; I968-L972 HydrophobicContact CG2-CG 4.35Å; I968-L972 WeakPolarHBondContact O-CB 3.28Å; I968-L972 WeakPolarHBondContact O-CG 3.49Å; I968-L972 PolarHBondContact O-N 3.04Å; L972-C976 VanDerWaalsContact O-CB 3.22Å; L972-C976 WeakPolarHBondContact O-CB 3.42Å; L972-C976 PolarHBondContact O-N 3.41Å |
| 973 | N | 89 | Confident | 87.8 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 20% | 0.198 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 177.6 | -169.7 | -7.5 | 0 | 0 | 0 | 111.6 | A969 N970 E971 C976 K977 A1027 | A969-N973 VanDerWaalsContact O-CB 3.28Å; A969-N973 WeakPolarHBondContact O-CB 3.48Å; A969-N973 PolarHBondContact O-N 2.99Å; N970-N973 PolarHBondContact O-N 2.95Å; E971-N973 VanDerWaalsContact C-N 3.32Å; E971-N973 PolarHBondContact O-N 3.15Å; N973-C976 PolarHBondContact O-N 3.23Å; N973-K977 WeakPolarHBondContact O-CB 3.39Å; N973-K977 WeakPolarHBondContact O-CG 3.37Å; N973-K977 PolarHBondContact O-N 3.45Å; N973-K977 VanDerWaalsContact O-N 3.07Å; N973-K977 WeakPolarHBondContact OD1-CD 3.49Å; N973-K977 WeakPolarHBondContact OD1-CE 3.33Å; N973-K977 PolarHBondContact OD1-NZ 2.98Å; N973-K977 VanDerWaalsContact OD1-NZ 3.16Å; N973-A1027 VanDerWaalsContact CA-O 3.31Å; N973-A1027 WeakPolarHBondContact CA-O 3.43Å; N973-A1027 PolarHBondContact N-O 2.91Å |
| 974 | Y | 87.8 | Confident | 87.8 | Confident | 157 Ų | 157 | 60 Ų | 60 | 62% | 0.616 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -59.8 | -50.3 | 176.1 | 179.8 | -99.9 | 0 | 0 | 0 | 111.4 | N970 E971 K977 F978 | N970-Y974 WeakPolarHBondContact O-CB 3.49Å; N970-Y974 PolarHBondContact O-N 3.19Å; E971-Y974 PolarHBondContact O-N 3.44Å; Y974-K977 PolarHBondContact O-N 3.06Å; Y974-F978 PolarHBondContact O-N 3.33Å |
| 975 | S | 85.7 | Confident | 87.7 | Confident | 8 Ų | 8 | 62 Ų | 62 | 6% | 0.056 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64 | -44.4 | 176.3 | 159.5 | 0 | 0 | 0 | 0 | 112.6 | Q872 E971 K977 F978 D979 | Q872-S975 PolarHBondContact NE2-OG 2.96Å; E971-S975 PolarHBondContact O-N 3.07Å; S975-K977 PolarHBondContact O-N 2.93Å; S975-F978 PolarHBondContact O-N 3.42Å; S975-D979 PolarHBondContact O-N 3.41Å; S975-D979 PolarHBondContact OG-OD2 3.28Å |
| 976 | C | 86.6 | Confident | 87.8 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.3 | -39.1 | 179.8 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | L972 N973 F978 S980 | L972-C976 VanDerWaalsContact O-CB 3.22Å; L972-C976 WeakPolarHBondContact O-CB 3.42Å; L972-C976 PolarHBondContact O-N 3.41Å; N973-C976 PolarHBondContact O-N 3.23Å; C976-F978 VanDerWaalsContact C-N 3.34Å; C976-S980 CarbonylContact O-C 3.15Å; C976-S980 WeakPolarHBondContact O-CA 3.42Å; C976-S980 PolarHBondContact O-N 3.17Å |
| 977 | K | 87.1 | Confident | 87.7 | Confident | 99 Ų | 99 | 63 Ų | 63 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.6 | -31 | 176.2 | -76.8 | 175.9 | 174.3 | 167.4 | 0 | 113.4 | N973 Y974 S975 A984 E988 | N973-K977 WeakPolarHBondContact O-CB 3.39Å; N973-K977 WeakPolarHBondContact O-CG 3.37Å; N973-K977 PolarHBondContact O-N 3.45Å; N973-K977 VanDerWaalsContact O-N 3.07Å; N973-K977 WeakPolarHBondContact OD1-CD 3.49Å; N973-K977 WeakPolarHBondContact OD1-CE 3.33Å; N973-K977 PolarHBondContact OD1-NZ 2.98Å; N973-K977 VanDerWaalsContact OD1-NZ 3.16Å; Y974-K977 PolarHBondContact O-N 3.06Å; S975-K977 PolarHBondContact O-N 2.93Å; K977-A984 HydrophobicContact CG-CB 4.25Å; K977-E988 WeakPolarHBondContact CE-OE1 3.45Å; K977-E988 IonicContact NZ-OE1 2.82Å; K977-E988 PolarHBondContact NZ-OE1 2.88Å |
| 978 | F | 86.5 | Confident | 87.7 | Confident | 164 Ų | 164 | 64.6 Ų | 64.6 | 72% | 0.719 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -81.2 | -52.3 | 179.1 | -167.8 | -95.8 | 0 | 0 | 0 | 111.8 | Y974 S975 C976 | Y974-F978 PolarHBondContact O-N 3.33Å; S975-F978 PolarHBondContact O-N 3.42Å; C976-F978 VanDerWaalsContact C-N 3.34Å |
| 979 | D | 83.6 | Confident | 87.7 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -80.4 | -30.7 | -173 | -60.3 | -39 | 0 | 0 | 0 | 112.9 | S975 | S975-D979 PolarHBondContact O-N 3.41Å; S975-D979 PolarHBondContact OG-OD2 3.28Å |
| 980 | S | 85.8 | Confident | 87.7 | Confident | 58 Ų | 58 | 72.9 Ų | 72.9 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | trans | -145.3 | 58.2 | -171.6 | -70.3 | 0 | 0 | 0 | 0 | 113 | C976 H982 L983 A984 | C976-S980 CarbonylContact O-C 3.15Å; C976-S980 WeakPolarHBondContact O-CA 3.42Å; C976-S980 PolarHBondContact O-N 3.17Å; S980-H982 VanDerWaalsContact C-N 3.27Å; S980-H982 PolarHBondContact O-N 3.36Å; S980-H982 VanDerWaalsContact O-N 3.13Å; S980-L983 PolarHBondContact O-N 3.02Å; S980-A984 PolarHBondContact O-N 3.14Å | ||
| 981 | K | 89.3 | Confident | 87.7 | Confident | 156 Ų | 156 | 70.8 Ų | 70.8 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -49.8 | -40.8 | -177.9 | -173.8 | 178.3 | 179.9 | -179.9 | 0 | 114.6 | A985 | K981-A985 WeakPolarHBondContact O-CB 3.35Å; K981-A985 PolarHBondContact O-N 2.98Å |
| 982 | H | 90.6 | Very high | 87.6 | Confident | 172 Ų | 172 | 75.4 Ų | 75.4 | 80% | 0.796 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -68.3 | -40.5 | -179.5 | -66.9 | -65.1 | 0 | 0 | 0 | 112.5 | S980 A985 A986 | S980-H982 VanDerWaalsContact C-N 3.27Å; S980-H982 PolarHBondContact O-N 3.36Å; S980-H982 VanDerWaalsContact O-N 3.13Å; H982-A985 PolarHBondContact O-N 3.39Å; H982-A986 WeakPolarHBondContact O-CB 3.31Å; H982-A986 PolarHBondContact O-N 2.97Å |
| 983 | L | 88.1 | Confident | 87.5 | Confident | 98 Ų | 98 | 77.8 Ų | 77.8 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 176.8 | 179.8 | 65 | 0 | 0 | 0 | 110.6 | S980 A985 A986 L987 | S980-L983 PolarHBondContact O-N 3.02Å; L983-A985 VanDerWaalsContact C-N 3.33Å; L983-A985 PolarHBondContact O-N 3.4Å; L983-A986 PolarHBondContact O-N 3.16Å; L983-L987 HydrophobicContact CD1-CD1 4.1Å; L983-L987 HydrophobicContact CD1-CG 4.21Å; L983-L987 HydrophobicContact CG-CD1 3.96Å; L983-L987 HydrophobicContact CG-CG 4.44Å; L983-L987 WeakPolarHBondContact O-CB 3.5Å; L983-L987 WeakPolarHBondContact O-CG 3.39Å; L983-L987 PolarHBondContact O-N 3.06Å |
| 984 | A | 88.2 | Confident | 87.3 | Confident | 3 Ų | 3 | 77 Ų | 77 | 3% | 0.025 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.3 | -46.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K977 S980 L987 E988 | K977-A984 HydrophobicContact CG-CB 4.25Å; S980-A984 PolarHBondContact O-N 3.14Å; A984-L987 PolarHBondContact O-N 2.91Å; A984-E988 WeakPolarHBondContact O-CB 3.36Å; A984-E988 WeakPolarHBondContact O-CG 3.49Å; A984-E988 PolarHBondContact O-N 3.33Å |
| 985 | A | 88.2 | Confident | 87.1 | Confident | 44 Ų | 44 | 73.4 Ų | 73.4 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K981 H982 L983 N989 | K981-A985 WeakPolarHBondContact O-CB 3.35Å; K981-A985 PolarHBondContact O-N 2.98Å; H982-A985 PolarHBondContact O-N 3.39Å; L983-A985 VanDerWaalsContact C-N 3.33Å; L983-A985 PolarHBondContact O-N 3.4Å; A985-N989 WeakPolarHBondContact O-CB 3.32Å; A985-N989 PolarHBondContact O-N 2.83Å; A985-N989 PolarHBondContact O-ND2 2.99Å |
| 986 | A | 90.2 | Very high | 87 | Confident | 56 Ų | 56 | 75.4 Ų | 75.4 | 46% | 0.463 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H982 L983 N989 L990 | H982-A986 WeakPolarHBondContact O-CB 3.31Å; H982-A986 PolarHBondContact O-N 2.97Å; L983-A986 PolarHBondContact O-N 3.16Å; A986-N989 PolarHBondContact O-N 2.93Å; A986-L990 VanDerWaalsContact O-CB 3.29Å; A986-L990 WeakPolarHBondContact O-CB 3.47Å; A986-L990 PolarHBondContact O-N 3.27Å |
| 987 | L | 87.4 | Confident | 86.7 | Confident | 19 Ų | 19 | 79.2 Ų | 79.2 | 10% | 0.099 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.2 | -43 | 177.3 | -72.3 | 173.8 | 0 | 0 | 0 | 112.2 | L983 A984 N989 L990 N991 L1024 A1027 I1029 | L983-L987 HydrophobicContact CD1-CD1 4.1Å; L983-L987 HydrophobicContact CD1-CG 4.21Å; L983-L987 HydrophobicContact CG-CD1 3.96Å; L983-L987 HydrophobicContact CG-CG 4.44Å; L983-L987 WeakPolarHBondContact O-CB 3.5Å; L983-L987 WeakPolarHBondContact O-CG 3.39Å; L983-L987 PolarHBondContact O-N 3.06Å; A984-L987 PolarHBondContact O-N 2.91Å; L987-N989 VanDerWaalsContact C-N 3.35Å; L987-N989 PolarHBondContact O-N 2.95Å; L987-L990 PolarHBondContact O-N 2.87Å; L987-N991 VanDerWaalsContact O-CB 3.29Å; L987-N991 WeakPolarHBondContact O-CB 3.41Å; L987-N991 PolarHBondContact O-N 3.36Å; L987-L1024 HydrophobicContact CB-CD2 4.29Å; L987-A1027 HydrophobicContact CD1-CB 4.04Å; L987-I1029 HydrophobicContact CB-CD1 4.05Å |
| 988 | E | 87.3 | Confident | 86.4 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 22% | 0.215 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 175.7 | -77.2 | -170.8 | -175.1 | 0 | 0 | 111.6 | K977 A984 K992 I1029 | K977-E988 WeakPolarHBondContact CE-OE1 3.45Å; K977-E988 IonicContact NZ-OE1 2.82Å; K977-E988 PolarHBondContact NZ-OE1 2.88Å; A984-E988 WeakPolarHBondContact O-CB 3.36Å; A984-E988 WeakPolarHBondContact O-CG 3.49Å; A984-E988 PolarHBondContact O-N 3.33Å; E988-K992 WeakPolarHBondContact O-CB 3.43Å; E988-K992 VanDerWaalsContact O-CG 3.27Å; E988-K992 WeakPolarHBondContact O-CG 3.37Å; E988-K992 PolarHBondContact O-N 3.34Å; E988-I1029 HydrophobicContact CG-CD1 3.91Å; E988-I1029 HydrophobicContact CG-CG2 4.14Å |
| 989 | N | 89.4 | Confident | 86.2 | Confident | 103 Ų | 103 | 73.8 Ų | 73.8 | 55% | 0.551 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.2 | -44.2 | 178.1 | -74.7 | -16.3 | 0 | 0 | 0 | 111.8 | A985 A986 L987 K992 S993 | A985-N989 WeakPolarHBondContact O-CB 3.32Å; A985-N989 PolarHBondContact O-N 2.83Å; A985-N989 PolarHBondContact O-ND2 2.99Å; A986-N989 PolarHBondContact O-N 2.93Å; L987-N989 VanDerWaalsContact C-N 3.35Å; L987-N989 PolarHBondContact O-N 2.95Å; N989-K992 PolarHBondContact O-N 3.08Å; N989-S993 PolarHBondContact O-N 2.89Å; N989-S993 PolarHBondContact O-OG 3.29Å |
| 990 | L | 87.6 | Confident | 86 | Confident | 79 Ų | 79 | 70.2 Ų | 70.2 | 41% | 0.414 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 177.6 | -177.4 | 65.5 | 0 | 0 | 0 | 111.7 | A986 L987 S993 L994 I1020 | A986-L990 VanDerWaalsContact O-CB 3.29Å; A986-L990 WeakPolarHBondContact O-CB 3.47Å; A986-L990 PolarHBondContact O-N 3.27Å; L987-L990 PolarHBondContact O-N 2.87Å; L990-S993 WeakPolarHBondContact CA-OG 3.28Å; L990-S993 PolarHBondContact O-OG 3.44Å; L990-L994 VanDerWaalsContact O-CB 3.23Å; L990-L994 WeakPolarHBondContact O-CB 3.41Å; L990-L994 PolarHBondContact O-N 2.96Å; L990-I1020 HydrophobicContact CD2-CD1 3.8Å; L990-I1020 HydrophobicContact CD2-CG1 4.14Å; L990-I1020 HydrophobicContact CG-CD1 4.18Å |
| 991 | N | 87.6 | Confident | 85.6 | Confident | 36 Ų | 36 | 69.6 Ų | 69.6 | 19% | 0.193 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 176.5 | -173.6 | 33.7 | 0 | 0 | 0 | 111.4 | L987 L994 L995 L1024 | L987-N991 VanDerWaalsContact O-CB 3.29Å; L987-N991 WeakPolarHBondContact O-CB 3.41Å; L987-N991 PolarHBondContact O-N 3.36Å; N991-L994 PolarHBondContact O-N 3.04Å; N991-L995 WeakPolarHBondContact O-CB 3.42Å; N991-L995 VanDerWaalsContact O-CG 3.27Å; N991-L995 WeakPolarHBondContact O-CG 3.28Å; N991-L995 PolarHBondContact O-N 3.06Å; N991-L1024 HydrophobicContact CB-CD1 4.07Å; N991-L1024 HydrophobicContact CB-CD2 4.04Å |
| 992 | K | 86.5 | Confident | 85 | Confident | 123 Ų | 123 | 70.5 Ų | 70.5 | 54% | 0.535 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 177.5 | -74.3 | 171.8 | -171.2 | 165.4 | 0 | 112.4 | E988 N989 A996 | E988-K992 WeakPolarHBondContact O-CB 3.43Å; E988-K992 VanDerWaalsContact O-CG 3.27Å; E988-K992 WeakPolarHBondContact O-CG 3.37Å; E988-K992 PolarHBondContact O-N 3.34Å; N989-K992 PolarHBondContact O-N 3.08Å; K992-A996 WeakPolarHBondContact O-CB 3.35Å; K992-A996 PolarHBondContact O-N 2.81Å |
| 993 | S | 85.8 | Confident | 84.5 | Confident | 54 Ų | 54 | 70.2 Ų | 70.2 | 38% | 0.378 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 178.1 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | N989 L990 L995 A996 D997 | N989-S993 PolarHBondContact O-N 2.89Å; N989-S993 PolarHBondContact O-OG 3.29Å; L990-S993 WeakPolarHBondContact CA-OG 3.28Å; L990-S993 PolarHBondContact O-OG 3.44Å; S993-L995 PolarHBondContact O-N 3.46Å; S993-A996 WeakPolarHBondContact O-CB 3.49Å; S993-A996 PolarHBondContact O-N 3.48Å; S993-D997 VanDerWaalsContact O-CG 3.23Å; S993-D997 PolarHBondContact O-N 3.44Å |
| 994 | L | 84.3 | Confident | 84 | Confident | 20 Ų | 20 | 69 Ų | 69 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 179.8 | -178.1 | 139.3 | 0 | 0 | 0 | 112.3 | L990 N991 A996 D997 I998 L1016 L1017 I1020 | L990-L994 VanDerWaalsContact O-CB 3.23Å; L990-L994 WeakPolarHBondContact O-CB 3.41Å; L990-L994 PolarHBondContact O-N 2.96Å; N991-L994 PolarHBondContact O-N 3.04Å; L994-A996 VanDerWaalsContact C-N 3.34Å; L994-D997 PolarHBondContact O-N 2.84Å; L994-I998 HydrophobicContact CD2-CD1 3.59Å; L994-I998 HydrophobicContact CG-CD1 4.32Å; L994-I998 VanDerWaalsContact O-CG1 3.27Å; L994-I998 WeakPolarHBondContact O-CG1 3.42Å; L994-I998 PolarHBondContact O-N 3.02Å; L994-L1016 HydrophobicContact CD1-CD2 3.38Å; L994-L1017 HydrophobicContact CD1-CD2 3.99Å; L994-L1017 HydrophobicContact CD2-CD2 3.6Å; L994-L1017 HydrophobicContact CG-CD2 4.32Å; L994-I1020 HydrophobicContact CD1-CD1 4.01Å |
| 995 | L | 82.9 | Confident | 83.4 | Confident | 82 Ų | 82 | 73.8 Ų | 73.8 | 43% | 0.429 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 172.9 | -71.9 | 173.3 | 0 | 0 | 0 | 111.8 | N991 S993 I998 E999 | N991-L995 WeakPolarHBondContact O-CB 3.42Å; N991-L995 VanDerWaalsContact O-CG 3.27Å; N991-L995 WeakPolarHBondContact O-CG 3.28Å; N991-L995 PolarHBondContact O-N 3.06Å; S993-L995 PolarHBondContact O-N 3.46Å; L995-I998 PolarHBondContact O-N 3.29Å; L995-E999 WeakPolarHBondContact O-CB 3.42Å; L995-E999 WeakPolarHBondContact O-CG 3.45Å; L995-E999 PolarHBondContact O-N 3.31Å |
| 996 | A | 83.4 | Confident | 82.7 | Confident | 50 Ų | 50 | 77.3 Ų | 77.3 | 41% | 0.413 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | K992 S993 L994 E999 A1000 | K992-A996 WeakPolarHBondContact O-CB 3.35Å; K992-A996 PolarHBondContact O-N 2.81Å; S993-A996 WeakPolarHBondContact O-CB 3.49Å; S993-A996 PolarHBondContact O-N 3.48Å; L994-A996 VanDerWaalsContact C-N 3.34Å; A996-E999 PolarHBondContact O-N 3.09Å; A996-A1000 VanDerWaalsContact O-CB 3.26Å; A996-A1000 WeakPolarHBondContact O-CB 3.25Å; A996-A1000 PolarHBondContact O-N 2.89Å |
| 997 | D | 81.3 | Confident | 81.9 | Confident | 96 Ų | 96 | 78.2 Ų | 78.2 | 51% | 0.513 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 175.8 | -67 | -22.4 | 0 | 0 | 0 | 111.3 | S993 L994 A1000 H1001 | S993-D997 VanDerWaalsContact O-CG 3.23Å; S993-D997 PolarHBondContact O-N 3.44Å; L994-D997 PolarHBondContact O-N 2.84Å; D997-A1000 PolarHBondContact O-N 2.69Å; D997-H1001 WeakPolarHBondContact O-CB 3.29Å; D997-H1001 PolarHBondContact O-N 3.09Å |
| 998 | I | 80.9 | Confident | 80.9 | Confident | 27 Ų | 27 | 82.5 Ų | 82.5 | 14% | 0.138 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 174.6 | -70.2 | 168.2 | 0 | 0 | 0 | 110.9 | L994 L995 A1000 H1001 Y1002 Y1009 L1017 | L994-I998 HydrophobicContact CD2-CD1 3.59Å; L994-I998 HydrophobicContact CG-CD1 4.32Å; L994-I998 VanDerWaalsContact O-CG1 3.27Å; L994-I998 WeakPolarHBondContact O-CG1 3.42Å; L994-I998 PolarHBondContact O-N 3.02Å; L995-I998 PolarHBondContact O-N 3.29Å; I998-A1000 VanDerWaalsContact C-N 3.32Å; I998-A1000 PolarHBondContact O-N 2.93Å; I998-H1001 PolarHBondContact O-N 3.02Å; I998-Y1002 HydrophobicContact CG2-CD2 3.79Å; I998-Y1002 HydrophobicContact CG2-CE2 3.58Å; I998-Y1002 WeakPolarHBondContact O-CD2 3.38Å; I998-Y1002 PolarHBondContact O-N 3.29Å; I998-Y1009 HydrophobicContact CG1-CD2 4.37Å; I998-Y1009 HydrophobicContact CG1-CE2 4.11Å; I998-Y1009 HydrophobicContact CG2-CE2 4.12Å; I998-L1017 HydrophobicContact CD1-CD2 4.43Å |
| 999 | E | 81.3 | Confident | 80.1 | Confident | 122 Ų | 122 | 84.8 Ų | 84.8 | 57% | 0.57 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.1 | -40.4 | 176.9 | -75.4 | 179.2 | -174.2 | 0 | 0 | 111.7 | L995 A996 H1001 Y1002 Q1003 | L995-E999 WeakPolarHBondContact O-CB 3.42Å; L995-E999 WeakPolarHBondContact O-CG 3.45Å; L995-E999 PolarHBondContact O-N 3.31Å; A996-E999 PolarHBondContact O-N 3.09Å; E999-H1001 VanDerWaalsContact C-N 3.35Å; E999-Y1002 PolarHBondContact O-N 2.59Å; E999-Q1003 WeakPolarHBondContact O-CG 3.42Å; E999-Q1003 PolarHBondContact O-N 2.79Å; E999-Q1003 VanDerWaalsContact O-N 3.17Å |
| 1000 | A | 79.3 | Confident | 78.9 | Confident | 31 Ų | 31 | 81 Ų | 81 | 26% | 0.256 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A996 D997 I998 Q1003 D1004 L1007 | A996-A1000 VanDerWaalsContact O-CB 3.26Å; A996-A1000 WeakPolarHBondContact O-CB 3.25Å; A996-A1000 PolarHBondContact O-N 2.89Å; D997-A1000 PolarHBondContact O-N 2.69Å; I998-A1000 VanDerWaalsContact C-N 3.32Å; I998-A1000 PolarHBondContact O-N 2.93Å; A1000-Q1003 PolarHBondContact O-N 3.04Å; A1000-Q1003 VanDerWaalsContact O-N 3.17Å; A1000-D1004 PolarHBondContact O-N 3.47Å; A1000-L1007 HydrophobicContact CB-CD1 3.7Å |
| 1001 | H | 78.8 | Confident | 77.9 | Confident | 45 Ų | 45 | 85 Ų | 85 | 21% | 0.208 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64 | -39.5 | 173.6 | -178.9 | 76.3 | 0 | 0 | 0 | 113.2 | D997 I998 E999 Q1003 D1004 P1005 L1007 Y1009 | D997-H1001 WeakPolarHBondContact O-CB 3.29Å; D997-H1001 PolarHBondContact O-N 3.09Å; I998-H1001 PolarHBondContact O-N 3.02Å; E999-H1001 VanDerWaalsContact C-N 3.35Å; H1001-Q1003 PolarHBondContact O-N 3.07Å; H1001-D1004 WeakPolarHBondContact CA-O 3.47Å; H1001-D1004 CarbonylContact O-C 3.12Å; H1001-D1004 PolarHBondContact O-N 2.89Å; H1001-D1004 VanDerWaalsContact O-O 3.1Å; H1001-P1005 PolarHBondContact CE1-O 3.29Å; H1001-L1007 PolarHBondContact CE1-O 3.03Å; H1001-L1007 PolarHBondContact ND1-O 3.24Å; H1001-Y1009 AromaticContact CD2-CD2 3.78Å; H1001-Y1009 AromaticContact CD2-CG 3.94Å |
| 1002 | Y | 76.1 | Confident | 76.5 | Confident | 175 Ų | 175 | 92.7 Ų | 92.7 | 69% | 0.686 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.3 | -23.7 | 174.7 | -81.5 | -68 | 0 | 0 | 0 | 112.9 | I998 E999 | I998-Y1002 HydrophobicContact CG2-CD2 3.79Å; I998-Y1002 HydrophobicContact CG2-CE2 3.58Å; I998-Y1002 WeakPolarHBondContact O-CD2 3.38Å; I998-Y1002 PolarHBondContact O-N 3.29Å; E999-Y1002 PolarHBondContact O-N 2.59Å |
| 1003 | Q | 79.9 | Confident | 75.2 | Confident | 166 Ų | 166 | 94.3 Ų | 94.3 | 78% | 0.776 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -85.4 | -37.7 | 173.9 | -67.1 | 175 | 18.2 | 0 | 0 | 112.3 | E999 A1000 H1001 | E999-Q1003 WeakPolarHBondContact O-CG 3.42Å; E999-Q1003 PolarHBondContact O-N 2.79Å; E999-Q1003 VanDerWaalsContact O-N 3.17Å; A1000-Q1003 PolarHBondContact O-N 3.04Å; A1000-Q1003 VanDerWaalsContact O-N 3.17Å; H1001-Q1003 PolarHBondContact O-N 3.07Å |
| 1004 | D | 77.2 | Confident | 74.4 | Confident | 71 Ų | 71 | 95.4 Ų | 95.4 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | trans | -135.1 | 106.7 | 177.4 | -169.5 | -18.5 | 0 | 0 | 0 | 111.2 | A1000 H1001 T1006 L1007 | A1000-D1004 PolarHBondContact O-N 3.47Å; H1001-D1004 WeakPolarHBondContact CA-O 3.47Å; H1001-D1004 CarbonylContact O-C 3.12Å; H1001-D1004 PolarHBondContact O-N 2.89Å; H1001-D1004 VanDerWaalsContact O-O 3.1Å; D1004-T1006 PolarHBondContact O-N 2.85Å; D1004-T1006 WeakPolarHBondContact OD1-CB 3.42Å; D1004-T1006 WeakPolarHBondContact OD1-CG2 3.19Å; D1004-T1006 PolarHBondContact OD1-N 3.21Å; D1004-T1006 PolarHBondContact OD1-OG1 3.14Å; D1004-T1006 PolarHBondContact OD2-OG1 3.21Å; D1004-L1007 HydrophobicContact CB-CD1 4.16Å; D1004-L1007 HydrophobicContact CB-CG 4.42Å; D1004-L1007 PolarHBondContact O-N 2.66Å | ||
| 1005 | P | 76.6 | Confident | 73.8 | Confident | 105 Ų | 105 | 98.3 Ų | 98.3 | 68% | 0.682 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -9.4 | -178.8 | -22.5 | 32.8 | 0 | 0 | 0 | 115.3 | H1001 L1007 | H1001-P1005 PolarHBondContact CE1-O 3.29Å; P1005-L1007 VanDerWaalsContact C-N 3.33Å |
| 1006 | T | 73.9 | Confident | 73.6 | Confident | 118 Ų | 118 | 97.7 Ų | 97.7 | 72% | 0.724 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -15.9 | 178.7 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | D1004 | D1004-T1006 PolarHBondContact O-N 2.85Å; D1004-T1006 WeakPolarHBondContact OD1-CB 3.42Å; D1004-T1006 WeakPolarHBondContact OD1-CG2 3.19Å; D1004-T1006 PolarHBondContact OD1-N 3.21Å; D1004-T1006 PolarHBondContact OD1-OG1 3.14Å; D1004-T1006 PolarHBondContact OD2-OG1 3.21Å |
| 1007 | L | 72.7 | Confident | 73.3 | Confident | 75 Ų | 75 | 98.1 Ų | 98.1 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -79.1 | 154.8 | 178.1 | -68.1 | 172.4 | 0 | 0 | 0 | 111.8 | A1000 H1001 D1004 P1005 Y1009 | A1000-L1007 HydrophobicContact CB-CD1 3.7Å; H1001-L1007 PolarHBondContact CE1-O 3.03Å; H1001-L1007 PolarHBondContact ND1-O 3.24Å; D1004-L1007 HydrophobicContact CB-CD1 4.16Å; D1004-L1007 HydrophobicContact CB-CG 4.42Å; D1004-L1007 PolarHBondContact O-N 2.66Å; P1005-L1007 VanDerWaalsContact C-N 3.33Å; L1007-Y1009 PolarHBondContact O-N 2.99Å |
| 1008 | P | 65.8 | Low | 73.1 | Confident | 108 Ų | 108 | 102.5 Ų | 102.5 | 70% | 0.701 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -72 | 122.4 | -175.2 | 27.6 | -33.3 | 0 | 0 | 0 | 112.1 | ||
| 1009 | Y | 70.4 | Confident | 73 | Confident | 94 Ų | 94 | 105.9 Ų | 105.9 | 37% | 0.369 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -98.9 | 139.9 | 164.4 | -172.5 | -102.6 | 0 | 0 | 0 | 109.6 | I998 H1001 L1007 K1011 | I998-Y1009 HydrophobicContact CG1-CD2 4.37Å; I998-Y1009 HydrophobicContact CG1-CE2 4.11Å; I998-Y1009 HydrophobicContact CG2-CE2 4.12Å; H1001-Y1009 AromaticContact CD2-CD2 3.78Å; H1001-Y1009 AromaticContact CD2-CG 3.94Å; L1007-Y1009 PolarHBondContact O-N 2.99Å; Y1009-K1011 PolarHBondContact O-N 3.36Å |
| 1010 | P | 65.1 | Low | 73.1 | Confident | 25 Ų | 25 | 100.9 Ų | 100.9 | 16% | 0.162 | 51% | 0.508 | C | S | . | . | trans | -58 | 112.9 | 171.2 | -18 | 29.9 | 0 | 0 | 0 | 109.3 | L1017 | P1010-L1017 HydrophobicContact CB-CD1 4.29Å; P1010-L1017 HydrophobicContact CB-CG 4.37Å | ||
| 1011 | K | 65.4 | Low | 73.2 | Confident | 162 Ų | 162 | 102.6 Ų | 102.6 | 70% | 0.704 | 52% | 0.515 | S | S | * | . | trans | -56.3 | 152.4 | 177.1 | -64.5 | -177.4 | 179.8 | -179.2 | 0 | 110.4 | Y1009 D1013 N1014 | Y1009-K1011 PolarHBondContact O-N 3.36Å; K1011-D1013 PolarHBondContact O-N 2.81Å; K1011-D1013 VanDerWaalsContact O-N 3.09Å; K1011-N1014 VanDerWaalsContact O-CB 3.25Å; K1011-N1014 WeakPolarHBondContact O-CB 3.26Å; K1011-N1014 PolarHBondContact O-N 3.32Å | ||
| 1012 | E | 59.3 | Low | 73.4 | Confident | 198 Ų | 198 | 102.9 Ų | 102.9 | 93% | 0.925 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -27.6 | 179.2 | -65.4 | -173.8 | 162 | 0 | 0 | 113.2 | N1014 | E1012-N1014 VanDerWaalsContact C-N 3.26Å; E1012-N1014 PolarHBondContact O-N 3.17Å |
| 1013 | D | 58.3 | Low | 73.8 | Confident | 156 Ų | 156 | 101.4 Ų | 101.4 | 83% | 0.834 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -7.4 | 175.6 | -64.1 | -33.6 | 0 | 0 | 0 | 114.3 | K1011 | K1011-D1013 PolarHBondContact O-N 2.81Å; K1011-D1013 VanDerWaalsContact O-N 3.09Å |
| 1014 | N | 68.5 | Low | 74 | Confident | 77 Ų | 77 | 94.1 Ų | 94.1 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | trans | -89.8 | 115.8 | -175.8 | -164.7 | -6.6 | 0 | 0 | 0 | 111.4 | K1011 E1012 L1016 | K1011-N1014 VanDerWaalsContact O-CB 3.25Å; K1011-N1014 WeakPolarHBondContact O-CB 3.26Å; K1011-N1014 PolarHBondContact O-N 3.32Å; E1012-N1014 VanDerWaalsContact C-N 3.26Å; E1012-N1014 PolarHBondContact O-N 3.17Å; N1014-L1016 PolarHBondContact O-N 3.17Å; N1014-L1016 VanDerWaalsContact O-N 3.16Å; N1014-L1016 WeakPolarHBondContact OD1-CB 3.41Å; N1014-L1016 PolarHBondContact OD1-N 3.3Å | ||
| 1015 | T | 72.9 | Confident | 74.2 | Confident | 82 Ų | 82 | 92.5 Ų | 92.5 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -8.8 | -178.1 | 59.1 | 0 | 0 | 0 | 0 | 114.1 | L1017 Y1018 E1019 | T1015-L1017 VanDerWaalsContact C-N 3.34Å; T1015-L1017 PolarHBondContact O-N 3.39Å; T1015-Y1018 WeakPolarHBondContact O-CB 3.42Å; T1015-Y1018 PolarHBondContact O-N 3.04Å; T1015-E1019 WeakPolarHBondContact CB-OE1 3.28Å; T1015-E1019 PolarHBondContact O-N 3.26Å; T1015-E1019 PolarHBondContact OG1-OE1 2.92Å |
| 1016 | L | 77.4 | Confident | 74.5 | Confident | 68 Ų | 68 | 89.5 Ų | 89.5 | 36% | 0.356 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -55.4 | -42 | -173.8 | -174.6 | 128.4 | 0 | 0 | 0 | 113.8 | L994 N1014 Y1018 I1020 | L994-L1016 HydrophobicContact CD1-CD2 3.38Å; N1014-L1016 PolarHBondContact O-N 3.17Å; N1014-L1016 VanDerWaalsContact O-N 3.16Å; N1014-L1016 WeakPolarHBondContact OD1-CB 3.41Å; N1014-L1016 PolarHBondContact OD1-N 3.3Å; L1016-Y1018 VanDerWaalsContact C-N 3.32Å; L1016-Y1018 PolarHBondContact O-N 2.89Å; L1016-I1020 HydrophobicContact CD1-CD1 4.45Å; L1016-I1020 HydrophobicContact CD2-CD1 3.52Å; L1016-I1020 HydrophobicContact CG-CD1 3.68Å; L1016-I1020 HydrophobicContact CG-CG1 4.41Å; L1016-I1020 WeakPolarHBondContact O-CB 3.38Å; L1016-I1020 VanDerWaalsContact O-CG1 3.26Å; L1016-I1020 WeakPolarHBondContact O-CG1 3.32Å; L1016-I1020 PolarHBondContact O-N 3.34Å |
| 1017 | L | 77.3 | Confident | 75 | Confident | 59 Ų | 59 | 84.2 Ų | 84.2 | 31% | 0.309 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 177.5 | -69.6 | 176.7 | 0 | 0 | 0 | 112 | L994 I998 P1010 T1015 T1021 | L994-L1017 HydrophobicContact CD1-CD2 3.99Å; L994-L1017 HydrophobicContact CD2-CD2 3.6Å; L994-L1017 HydrophobicContact CG-CD2 4.32Å; I998-L1017 HydrophobicContact CD1-CD2 4.43Å; P1010-L1017 HydrophobicContact CB-CD1 4.29Å; P1010-L1017 HydrophobicContact CB-CG 4.37Å; T1015-L1017 VanDerWaalsContact C-N 3.34Å; T1015-L1017 PolarHBondContact O-N 3.39Å; L1017-T1021 VanDerWaalsContact O-CB 3.31Å; L1017-T1021 WeakPolarHBondContact O-CB 3.36Å; L1017-T1021 PolarHBondContact O-N 3.43Å; L1017-T1021 VanDerWaalsContact O-N 3.08Å; L1017-T1021 PolarHBondContact O-OG1 3.48Å |
| 1018 | Y | 77.8 | Confident | 75.5 | Confident | 189 Ų | 189 | 80.9 Ų | 80.9 | 74% | 0.741 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68.9 | -46.2 | 179.5 | 179.3 | -98.2 | 0 | 0 | 0 | 111.3 | T1015 L1016 T1021 A1022 | T1015-Y1018 WeakPolarHBondContact O-CB 3.42Å; T1015-Y1018 PolarHBondContact O-N 3.04Å; L1016-Y1018 VanDerWaalsContact C-N 3.32Å; L1016-Y1018 PolarHBondContact O-N 2.89Å; Y1018-T1021 PolarHBondContact O-N 3.38Å; Y1018-A1022 PolarHBondContact O-N 3.48Å |
| 1019 | E | 79.3 | Confident | 76.2 | Confident | 97 Ų | 97 | 77 Ų | 77 | 45% | 0.453 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 179.1 | -70.6 | 173 | -154.5 | 0 | 0 | 112.3 | T1015 T1021 A1022 Y1023 | T1015-E1019 WeakPolarHBondContact CB-OE1 3.28Å; T1015-E1019 PolarHBondContact O-N 3.26Å; T1015-E1019 PolarHBondContact OG1-OE1 2.92Å; E1019-T1021 VanDerWaalsContact C-N 3.3Å; E1019-T1021 PolarHBondContact O-N 2.87Å; E1019-A1022 PolarHBondContact O-N 3.18Å; E1019-Y1023 WeakPolarHBondContact O-CD2 3.47Å; E1019-Y1023 PolarHBondContact O-N 3.04Å |
| 1020 | I | 83.8 | Confident | 76.7 | Confident | 17 Ų | 17 | 74.5 Ų | 74.5 | 9% | 0.087 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 177.5 | -68.9 | 172.3 | 0 | 0 | 0 | 110.7 | L990 L994 L1016 A1022 Y1023 L1024 | L990-I1020 HydrophobicContact CD2-CD1 3.8Å; L990-I1020 HydrophobicContact CD2-CG1 4.14Å; L990-I1020 HydrophobicContact CG-CD1 4.18Å; L994-I1020 HydrophobicContact CD1-CD1 4.01Å; L1016-I1020 HydrophobicContact CD1-CD1 4.45Å; L1016-I1020 HydrophobicContact CD2-CD1 3.52Å; L1016-I1020 HydrophobicContact CG-CD1 3.68Å; L1016-I1020 HydrophobicContact CG-CG1 4.41Å; L1016-I1020 WeakPolarHBondContact O-CB 3.38Å; L1016-I1020 VanDerWaalsContact O-CG1 3.26Å; L1016-I1020 WeakPolarHBondContact O-CG1 3.32Å; L1016-I1020 PolarHBondContact O-N 3.34Å; I1020-A1022 VanDerWaalsContact C-N 3.31Å; I1020-A1022 PolarHBondContact O-N 2.95Å; I1020-Y1023 PolarHBondContact O-N 3.41Å; I1020-L1024 HydrophobicContact CG2-CD1 3.69Å; I1020-L1024 HydrophobicContact CG2-CG 3.98Å; I1020-L1024 WeakPolarHBondContact O-CB 3.42Å; I1020-L1024 VanDerWaalsContact O-CG 3.28Å; I1020-L1024 WeakPolarHBondContact O-CG 3.38Å; I1020-L1024 PolarHBondContact O-N 2.99Å |
| 1021 | T | 81.4 | Confident | 77.3 | Confident | 67 Ų | 67 | 75.6 Ų | 75.6 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59 | -43.2 | 177.2 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | L1017 Y1018 E1019 Y1023 L1024 E1025 | L1017-T1021 VanDerWaalsContact O-CB 3.31Å; L1017-T1021 WeakPolarHBondContact O-CB 3.36Å; L1017-T1021 PolarHBondContact O-N 3.43Å; L1017-T1021 VanDerWaalsContact O-N 3.08Å; L1017-T1021 PolarHBondContact O-OG1 3.48Å; Y1018-T1021 PolarHBondContact O-N 3.38Å; E1019-T1021 VanDerWaalsContact C-N 3.3Å; E1019-T1021 PolarHBondContact O-N 2.87Å; T1021-Y1023 VanDerWaalsContact C-N 3.35Å; T1021-Y1023 PolarHBondContact O-N 3.48Å; T1021-L1024 PolarHBondContact O-N 2.95Å; T1021-E1025 HydrophobicContact CG2-CG 4.32Å; T1021-E1025 WeakPolarHBondContact O-CB 3.27Å; T1021-E1025 WeakPolarHBondContact O-CG 3.46Å; T1021-E1025 PolarHBondContact O-N 2.98Å |
| 1022 | A | 82.3 | Confident | 77.9 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 42% | 0.421 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1018 E1019 I1020 A1026 | Y1018-A1022 PolarHBondContact O-N 3.48Å; E1019-A1022 PolarHBondContact O-N 3.18Å; I1020-A1022 VanDerWaalsContact C-N 3.31Å; I1020-A1022 PolarHBondContact O-N 2.95Å; A1022-A1026 WeakPolarHBondContact O-CB 3.44Å; A1022-A1026 PolarHBondContact O-N 3.26Å |
| 1023 | Y | 83.7 | Confident | 78.8 | Confident | 145 Ų | 145 | 59 Ų | 59 | 57% | 0.569 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.9 | -39.7 | 175.4 | -66.3 | -55.2 | 0 | 0 | 0 | 112.9 | E1019 I1020 T1021 A1026 A1027 | E1019-Y1023 WeakPolarHBondContact O-CD2 3.47Å; E1019-Y1023 PolarHBondContact O-N 3.04Å; I1020-Y1023 PolarHBondContact O-N 3.41Å; T1021-Y1023 VanDerWaalsContact C-N 3.35Å; T1021-Y1023 PolarHBondContact O-N 3.48Å; Y1023-A1026 PolarHBondContact O-N 3Å; Y1023-A1027 WeakPolarHBondContact O-CB 3.46Å; Y1023-A1027 PolarHBondContact O-N 3.45Å |
| 1024 | L | 84.2 | Confident | 79.7 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 175.9 | -68.6 | 174 | 0 | 0 | 0 | 112 | L987 N991 I1020 T1021 A1027 G1028 I1029 | L987-L1024 HydrophobicContact CB-CD2 4.29Å; N991-L1024 HydrophobicContact CB-CD1 4.07Å; N991-L1024 HydrophobicContact CB-CD2 4.04Å; I1020-L1024 HydrophobicContact CG2-CD1 3.69Å; I1020-L1024 HydrophobicContact CG2-CG 3.98Å; I1020-L1024 WeakPolarHBondContact O-CB 3.42Å; I1020-L1024 VanDerWaalsContact O-CG 3.28Å; I1020-L1024 WeakPolarHBondContact O-CG 3.38Å; I1020-L1024 PolarHBondContact O-N 2.99Å; T1021-L1024 PolarHBondContact O-N 2.95Å; L1024-A1027 PolarHBondContact O-N 2.96Å; L1024-G1028 PolarHBondContact O-N 3.44Å; L1024-G1028 VanDerWaalsContact O-N 3.11Å; L1024-I1029 HydrophobicContact CD2-CB 3.91Å; L1024-I1029 HydrophobicContact CD2-CD1 4.32Å; L1024-I1029 HydrophobicContact CD2-CG2 4.09Å; L1024-I1029 PolarHBondContact O-N 3.33Å |
| 1025 | E | 83.1 | Confident | 80.3 | Confident | 38 Ų | 38 | 55.4 Ų | 55.4 | 18% | 0.178 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 174.1 | -75.1 | -174.1 | 167.3 | 0 | 0 | 111 | T1021 A1027 G1028 H1030 K1035 | T1021-E1025 HydrophobicContact CG2-CG 4.32Å; T1021-E1025 WeakPolarHBondContact O-CB 3.27Å; T1021-E1025 WeakPolarHBondContact O-CG 3.46Å; T1021-E1025 PolarHBondContact O-N 2.98Å; E1025-A1027 VanDerWaalsContact C-N 3.29Å; E1025-A1027 PolarHBondContact O-N 3.15Å; E1025-G1028 PolarHBondContact O-N 3.49Å; E1025-G1028 VanDerWaalsContact O-N 3.1Å; E1025-H1030 HydrophobicContact CG-CB 4.29Å; E1025-K1035 IonicContact OE1-NZ 3.92Å; E1025-K1035 PolarHBondContact OE1-NZ 3.38Å; E1025-K1035 IonicContact OE2-NZ 3.54Å |
| 1026 | A | 82.6 | Confident | 80.6 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 34% | 0.339 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.7 | -32.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1022 Y1023 G1028 | A1022-A1026 WeakPolarHBondContact O-CB 3.44Å; A1022-A1026 PolarHBondContact O-N 3.26Å; Y1023-A1026 PolarHBondContact O-N 3Å; A1026-G1028 VanDerWaalsContact C-N 3.35Å |
| 1027 | A | 84.4 | Confident | 80.7 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -3.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N973 L987 Y1023 L1024 E1025 I1029 | N973-A1027 VanDerWaalsContact CA-O 3.31Å; N973-A1027 WeakPolarHBondContact CA-O 3.43Å; N973-A1027 PolarHBondContact N-O 2.91Å; L987-A1027 HydrophobicContact CD1-CB 4.04Å; Y1023-A1027 WeakPolarHBondContact O-CB 3.46Å; Y1023-A1027 PolarHBondContact O-N 3.45Å; L1024-A1027 PolarHBondContact O-N 2.96Å; E1025-A1027 VanDerWaalsContact C-N 3.29Å; E1025-A1027 PolarHBondContact O-N 3.15Å; A1027-I1029 HydrophobicContact CB-CD1 3.77Å; A1027-I1029 HydrophobicContact CB-CG1 3.88Å; A1027-I1029 PolarHBondContact O-N 2.88Å |
| 1028 | G | 82.1 | Confident | 80.9 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 15.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1024 E1025 A1026 H1030 | L1024-G1028 PolarHBondContact O-N 3.44Å; L1024-G1028 VanDerWaalsContact O-N 3.11Å; E1025-G1028 PolarHBondContact O-N 3.49Å; E1025-G1028 VanDerWaalsContact O-N 3.1Å; A1026-G1028 VanDerWaalsContact C-N 3.35Å; G1028-H1030 PolarHBondContact O-N 3.39Å |
| 1029 | I | 81.4 | Confident | 80.8 | Confident | 28 Ų | 28 | 51 Ų | 51 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | trans | -92.7 | 46.9 | 178.8 | -46.6 | 166.8 | 0 | 0 | 0 | 109 | L987 E988 L1024 A1027 | L987-I1029 HydrophobicContact CB-CD1 4.05Å; E988-I1029 HydrophobicContact CG-CD1 3.91Å; E988-I1029 HydrophobicContact CG-CG2 4.14Å; L1024-I1029 HydrophobicContact CD2-CB 3.91Å; L1024-I1029 HydrophobicContact CD2-CD1 4.32Å; L1024-I1029 HydrophobicContact CD2-CG2 4.09Å; L1024-I1029 PolarHBondContact O-N 3.33Å; A1027-I1029 HydrophobicContact CB-CD1 3.77Å; A1027-I1029 HydrophobicContact CB-CG1 3.88Å; A1027-I1029 PolarHBondContact O-N 2.88Å | ||
| 1030 | H | 79.9 | Confident | 80.4 | Confident | 41 Ų | 41 | 48.4 Ų | 48.4 | 19% | 0.19 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -135.4 | 161.2 | 177.4 | 74.4 | -79.8 | 0 | 0 | 0 | 110.4 | D884 E1025 G1028 P1032 | D884-H1030 IonicContact OD2-NE2 3.9Å; E1025-H1030 HydrophobicContact CG-CB 4.29Å; G1028-H1030 PolarHBondContact O-N 3.39Å; H1030-P1032 WeakPolarHBondContact O-CD 3.49Å |
| 1031 | N | 78.1 | Confident | 79.8 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | trans | -108.2 | 102.2 | 175 | -172.3 | -8.1 | 0 | 0 | 0 | 109.9 | L1033 N1034 | N1031-L1033 PolarHBondContact O-N 3.02Å; N1031-L1033 VanDerWaalsContact O-N 3.16Å; N1031-L1033 PolarHBondContact OD1-N 2.88Å; N1031-N1034 HydrophobicContact CB-CB 4.33Å; N1031-N1034 PolarHBondContact ND2-ND2 3.49Å; N1031-N1034 PolarHBondContact O-N 3.42Å | ||
| 1032 | P | 78.1 | Confident | 79.3 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -53.8 | -36.1 | -179.6 | -27 | 34 | 0 | 0 | 0 | 113.4 | R965 A969 H1030 N1034 K1035 Y1037 | R965-P1032 HydrophobicContact CB-CB 4.04Å; R965-P1032 HydrophobicContact CB-CG 4.26Å; A969-P1032 HydrophobicContact CB-CG 4.26Å; H1030-P1032 WeakPolarHBondContact O-CD 3.49Å; P1032-N1034 PolarHBondContact O-N 2.92Å; P1032-K1035 WeakPolarHBondContact O-CB 3.2Å; P1032-K1035 PolarHBondContact O-N 3.23Å; P1032-Y1037 PolarHBondContact O-OH 3.05Å |
| 1033 | L | 78.3 | Confident | 79 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -70.7 | -12.3 | -177 | -58.5 | 177.8 | 0 | 0 | 0 | 113.7 | Q962 N1031 L1085 K1092 Y1142 | Q962-L1033 HydrophobicContact CB-CD2 4.02Å; Q962-L1033 HydrophobicContact CG-CD2 4.35Å; N1031-L1033 PolarHBondContact O-N 3.02Å; N1031-L1033 VanDerWaalsContact O-N 3.16Å; N1031-L1033 PolarHBondContact OD1-N 2.88Å; L1033-L1085 HydrophobicContact CD1-CD2 3.7Å; L1033-L1085 HydrophobicContact CD2-CD2 3.84Å; L1033-L1085 HydrophobicContact CG-CD2 4.45Å; L1033-K1092 WeakPolarHBondContact O-CD 3.25Å; L1033-K1092 PolarHBondContact O-NZ 2.85Å; L1033-Y1142 HydrophobicContact CD1-CD1 4.39Å |
| 1034 | N | 77.1 | Confident | 78.4 | Confident | 89 Ų | 89 | 57.9 Ų | 57.9 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -96.2 | -7.2 | 178.3 | -74.9 | -9.9 | 0 | 0 | 0 | 112.9 | N1031 P1032 K1092 | N1031-N1034 HydrophobicContact CB-CB 4.33Å; N1031-N1034 PolarHBondContact ND2-ND2 3.49Å; N1031-N1034 PolarHBondContact O-N 3.42Å; P1032-N1034 PolarHBondContact O-N 2.92Å; N1034-K1092 PolarHBondContact OD1-NZ 2.97Å |
| 1035 | K | 80.9 | Confident | 78 | Confident | 68 Ų | 68 | 60.5 Ų | 60.5 | 30% | 0.296 | 30% | 0.303 | S | S | . | . | trans | -72.5 | 135.1 | -176.1 | -163.8 | 163.6 | -175.3 | 164.8 | 0 | 111.2 | E1025 P1032 Y1037 Q1093 | E1025-K1035 IonicContact OE1-NZ 3.92Å; E1025-K1035 PolarHBondContact OE1-NZ 3.38Å; E1025-K1035 IonicContact OE2-NZ 3.54Å; P1032-K1035 WeakPolarHBondContact O-CB 3.2Å; P1032-K1035 PolarHBondContact O-N 3.23Å; K1035-Y1037 HydrophobicContact CB-CE1 4.5Å; K1035-Y1037 HydrophobicContact CB-CE2 4.39Å; K1035-Y1037 HydrophobicContact CD-CE1 4.35Å; K1035-Y1037 HydrophobicContact CG-CE1 4.38Å; K1035-Y1037 WeakPolarHBondContact O-CE2 3.37Å; K1035-Q1093 PolarHBondContact O-NE2 2.93Å | ||
| 1036 | I | 79.4 | Confident | 78 | Confident | 119 Ų | 119 | 58.7 Ų | 58.7 | 61% | 0.61 | 29% | 0.294 | S | S | * | . | trans | -92.9 | 120.7 | 171.6 | -58.1 | 173.4 | 0 | 0 | 0 | 107.5 | ||||
| 1037 | Y | 80.4 | Confident | 78 | Confident | 28 Ų | 28 | 57 Ų | 57 | 11% | 0.11 | 28% | 0.28 | C | S | . | . | trans | -96.9 | -34.4 | -176.7 | -62.3 | -79.7 | 0 | 0 | 0 | 112.9 | C888 I891 V892 L895 Q962 R965 P1032 K1035 T1089 | C888-Y1037 HydrophobicContact CB-CE1 4.28Å; I891-Y1037 HydrophobicContact CB-CD1 4.43Å; I891-Y1037 HydrophobicContact CB-CE1 4.39Å; I891-Y1037 HydrophobicContact CD1-CE1 4.3Å; I891-Y1037 HydrophobicContact CG2-CD1 4.04Å; I891-Y1037 HydrophobicContact CG2-CD2 3.84Å; I891-Y1037 HydrophobicContact CG2-CE1 4.14Å; I891-Y1037 HydrophobicContact CG2-CE2 3.96Å; I891-Y1037 HydrophobicContact CG2-CG 3.9Å; V892-Y1037 HydrophobicContact CG2-CD1 4.11Å; V892-Y1037 HydrophobicContact CG2-CG 4.41Å; L895-Y1037 HydrophobicContact CD1-CD2 4.09Å; L895-Y1037 HydrophobicContact CD1-CG 4.27Å; Q962-Y1037 VanDerWaalsContact NE2-CE2 3.34Å; Q962-Y1037 PolarHBondContact NE2-OH 3.45Å; R965-Y1037 VanDerWaalsContact NH1-CE1 3.32Å; R965-Y1037 VanDerWaalsContact NH1-CZ 3.34Å; R965-Y1037 PolarHBondContact NH1-OH 3.38Å; P1032-Y1037 PolarHBondContact O-OH 3.05Å; K1035-Y1037 HydrophobicContact CB-CE1 4.5Å; K1035-Y1037 HydrophobicContact CB-CE2 4.39Å; K1035-Y1037 HydrophobicContact CD-CE1 4.35Å; K1035-Y1037 HydrophobicContact CG-CE1 4.38Å; K1035-Y1037 WeakPolarHBondContact O-CE2 3.37Å; Y1037-T1089 HydrophobicContact CD2-CG2 4.22Å; Y1037-T1089 HydrophobicContact CE2-CG2 3.88Å | ||
| 1038 | I | 80.9 | Confident | 77.9 | Confident | 16 Ų | 16 | 57 Ų | 57 | 8% | 0.082 | 28% | 0.279 | C | S | . | . | trans | -136 | 142.1 | -173.2 | 51.3 | 164.2 | 0 | 0 | 0 | 111.2 | V892 L895 Q896 L899 T1040 Q1093 | V892-I1038 HydrophobicContact CG1-CG2 4.07Å; L895-I1038 HydrophobicContact CB-CD1 3.8Å; L895-I1038 HydrophobicContact CB-CG1 4.43Å; L895-I1038 HydrophobicContact CD1-CD1 4.37Å; L895-I1038 HydrophobicContact CD1-CG1 4.27Å; Q896-I1038 HydrophobicContact CG-CG2 4.23Å; L899-I1038 HydrophobicContact CD1-CD1 3.65Å; L899-I1038 HydrophobicContact CG-CD1 4.23Å; I1038-T1040 HydrophobicContact CD1-CG2 3.59Å; I1038-T1040 HydrophobicContact CG1-CG2 3.91Å; I1038-Q1093 HydrophobicContact CD1-CB 4.44Å; I1038-Q1093 HydrophobicContact CG1-CB 4.07Å; I1038-Q1093 HydrophobicContact CG1-CG 4.08Å | ||
| 1039 | T | 74.9 | Confident | 78 | Confident | 144 Ų | 144 | 56.9 Ų | 56.9 | 88% | 0.883 | 28% | 0.277 | S | S | * | . | trans | -87.9 | 122.6 | 168.2 | 50.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1040 | T | 71.6 | Confident | 78.2 | Confident | 41 Ų | 41 | 55.5 Ų | 55.5 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | trans | -111.8 | 141.2 | -170.6 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | L899 I1038 Q1093 F1094 | L899-T1040 HydrophobicContact CD1-CG2 4.17Å; I1038-T1040 HydrophobicContact CD1-CG2 3.59Å; I1038-T1040 HydrophobicContact CG1-CG2 3.91Å; T1040-Q1093 PolarHBondContact OG1-O 3.26Å; T1040-Q1093 VanDerWaalsContact OG1-O 3.09Å; T1040-F1094 HydrophobicContact CG2-CD1 4.43Å; T1040-F1094 HydrophobicContact CG2-CE1 3.98Å; T1040-F1094 HydrophobicContact CG2-CE2 4.29Å; T1040-F1094 HydrophobicContact CG2-CZ 3.92Å; T1040-F1094 VanDerWaalsContact OG1-CD1 3.32Å; T1040-F1094 WeakPolarHBondContact OG1-CD1 3.39Å | ||
| 1041 | K | 72 | Confident | 78.5 | Confident | 185 Ų | 185 | 53.6 Ų | 53.6 | 80% | 0.804 | 26% | 0.261 | S | S | * | . | trans | -77.7 | 153.2 | 167.5 | -65.6 | -176.1 | -178.1 | 179.2 | 0 | 109.6 | L1043 | K1041-L1043 PolarHBondContact O-N 3.4Å; K1041-L1043 VanDerWaalsContact O-N 3.11Å | ||
| 1042 | R | 70 | Confident | 78.7 | Confident | 220 Ų | 220 | 51.3 Ų | 51.3 | 83% | 0.83 | 25% | 0.249 | S | C | * | . | trans | -58.3 | 114.4 | 178.7 | -168 | -177.1 | 178.3 | 176.6 | -3.7 | 110.8 | Y1098 | R1042-Y1098 WeakPolarHBondContact CG-OH 3.48Š| ||
| 1043 | L | 76.1 | Confident | 79.1 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | trans | -95.5 | 130.8 | 175.5 | -64.6 | 177.3 | 0 | 0 | 0 | 110.7 | L899 L902 L907 K1041 F1046 F1094 Y1098 | L899-L1043 HydrophobicContact CD2-CD1 3.9Å; L902-L1043 HydrophobicContact CD1-CD1 4.38Å; L902-L1043 HydrophobicContact CD2-CD1 3.94Å; L902-L1043 HydrophobicContact CD2-CD2 4.44Å; L907-L1043 HydrophobicContact CD1-CD2 4.07Å; K1041-L1043 PolarHBondContact O-N 3.4Å; K1041-L1043 VanDerWaalsContact O-N 3.11Å; L1043-F1046 HydrophobicContact CB-CB 4.1Å; L1043-F1046 HydrophobicContact CD1-CD2 4.08Å; L1043-F1046 HydrophobicContact CD1-CE2 4.47Å; L1043-F1094 HydrophobicContact CB-CE1 4.42Å; L1043-F1094 HydrophobicContact CD1-CE1 3.54Å; L1043-F1094 HydrophobicContact CD1-CZ 3.53Å; L1043-F1094 HydrophobicContact CG-CE1 3.92Å; L1043-F1094 HydrophobicContact CG-CZ 4.4Å; L1043-Y1098 PolarHBondContact N-OH 3.14Å; L1043-Y1098 PolarHBondContact O-OH 3.05Å | ||
| 1044 | P | 71.4 | Confident | 79.4 | Confident | 65 Ų | 65 | 51.3 Ų | 51.3 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 145.4 | 175.4 | 32 | -33.7 | 0 | 0 | 0 | 110.5 | L907 F1046 | L907-P1044 HydrophobicContact CD2-CG 3.97Å; P1044-F1046 PolarHBondContact O-N 3.17Å |
| 1045 | Y | 75.8 | Confident | 79.7 | Confident | 67 Ų | 67 | 47.7 Ų | 47.7 | 26% | 0.263 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 9.7 | 177.2 | -48.6 | -76.9 | 0 | 0 | 0 | 117 | M913 F916 K917 L920 I1048 I1049 | M913-Y1045 HydrophobicContact CE-CD2 3.6Å; M913-Y1045 HydrophobicContact CE-CE2 3.49Å; M913-Y1045 VanDerWaalsContact CE-CE2 3.49Å; M913-Y1045 HydrophobicContact SD-CD2 4.24Å; F916-Y1045 HydrophobicContact CB-CG 4.43Å; K917-Y1045 HydrophobicContact CG-CE1 4.05Å; K917-Y1045 HydrophobicContact CG-CE2 4.42Å; K917-Y1045 WeakPolarHBondContact CG-OH 3.23Å; L920-Y1045 HydrophobicContact CD2-CD1 3.84Å; L920-Y1045 HydrophobicContact CD2-CE1 3.61Å; Y1045-I1048 HydrophobicContact CD1-CD1 3.97Å; Y1045-I1048 WeakPolarHBondContact O-CB 3.29Å; Y1045-I1048 PolarHBondContact O-N 2.9Å; Y1045-I1049 WeakPolarHBondContact O-CG1 3.41Å; Y1045-I1049 PolarHBondContact O-N 2.63Å; Y1045-I1049 VanDerWaalsContact O-N 3.11Å |
| 1046 | F | 82.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.4 | -44.4 | -176.3 | -177.2 | -104.9 | 0 | 0 | 0 | 115.5 | L902 L1043 P1044 I1048 I1049 N1050 L1090 L1091 F1094 Y1098 | L902-F1046 HydrophobicContact CD1-CD2 4.17Å; L902-F1046 HydrophobicContact CD1-CE2 4.22Å; L1043-F1046 HydrophobicContact CB-CB 4.1Å; L1043-F1046 HydrophobicContact CD1-CD2 4.08Å; L1043-F1046 HydrophobicContact CD1-CE2 4.47Å; P1044-F1046 PolarHBondContact O-N 3.17Å; F1046-I1048 VanDerWaalsContact C-N 3.27Å; F1046-I1048 PolarHBondContact O-N 3.25Å; F1046-I1049 PolarHBondContact O-N 3.45Å; F1046-N1050 WeakPolarHBondContact CD1-ND2 3.46Å; F1046-N1050 WeakPolarHBondContact CE1-ND2 3.5Å; F1046-N1050 WeakPolarHBondContact CE2-ND2 3.38Å; F1046-N1050 WeakPolarHBondContact CZ-ND2 3.32Å; F1046-N1050 PolarHBondContact O-N 3.16Å; F1046-N1050 VanDerWaalsContact O-N 3.15Å; F1046-N1050 PolarHBondContact O-ND2 3.34Å; F1046-N1050 VanDerWaalsContact O-ND2 3.1Å; F1046-L1090 HydrophobicContact CZ-CD1 4.26Å; F1046-L1090 HydrophobicContact CZ-CD2 4.29Å; F1046-L1090 HydrophobicContact CZ-CG 3.98Å; F1046-L1091 HydrophobicContact CE1-CD2 4.21Å; F1046-F1094 HydrophobicContact CD1-CD1 4.41Å; F1046-F1094 HydrophobicContact CD1-CD2 4.26Å; F1046-F1094 HydrophobicContact CD1-CG 4.17Å; F1046-F1094 HydrophobicContact CD2-CE2 4.47Å; F1046-F1094 HydrophobicContact CD2-CZ 4.27Å; F1046-F1094 HydrophobicContact CE1-CB 4.17Å; F1046-F1094 HydrophobicContact CE1-CD1 4.27Å; F1046-F1094 AromaticContact CE1-CD2 3.36Å; F1046-F1094 HydrophobicContact CE1-CD2 3.36Å; F1046-F1094 AromaticContact CE1-CE2 3.71Å; F1046-F1094 HydrophobicContact CE1-CE2 3.71Å; F1046-F1094 AromaticContact CE1-CG 3.67Å; F1046-F1094 HydrophobicContact CE1-CG 3.67Å; F1046-F1094 HydrophobicContact CE1-CZ 4.27Å; F1046-F1094 HydrophobicContact CE2-CD2 4.18Å; F1046-F1094 HydrophobicContact CE2-CE1 4.48Å; F1046-F1094 AromaticContact CE2-CE2 3.61Å; F1046-F1094 HydrophobicContact CE2-CE2 3.61Å; F1046-F1094 AromaticContact CE2-CZ 3.76Å; F1046-F1094 HydrophobicContact CE2-CZ 3.76Å; F1046-F1094 AromaticContact CZ-CD2 3.31Å; F1046-F1094 HydrophobicContact CZ-CD2 3.31Å; F1046-F1094 HydrophobicContact CZ-CE1 4.43Å; F1046-F1094 AromaticContact CZ-CE2 3.14Å; F1046-F1094 HydrophobicContact CZ-CE2 3.14Å; F1046-F1094 HydrophobicContact CZ-CG 4.03Å; F1046-F1094 AromaticContact CZ-CZ 3.75Å; F1046-F1094 HydrophobicContact CZ-CZ 3.75Å; F1046-Y1098 HydrophobicContact CB-CE1 4.5Å; F1046-Y1098 HydrophobicContact CD1-CG 4.45Å |
| 1047 | P | 82.4 | Confident | 80 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.9 | -33.7 | 176.4 | -25.6 | 36.3 | 0 | 0 | 0 | 113.9 | F1051 Y1098 Q1101 F1102 L1105 | P1047-F1051 WeakPolarHBondContact O-CB 3.27Å; P1047-F1051 PolarHBondContact O-N 3.45Å; P1047-Y1098 HydrophobicContact CG-CD1 3.41Å; P1047-Y1098 VanDerWaalsContact CG-CD1 3.41Å; P1047-Y1098 HydrophobicContact CG-CE1 4.23Å; P1047-Y1098 HydrophobicContact CG-CG 4.22Å; P1047-Q1101 HydrophobicContact CB-CB 4.12Å; P1047-Q1101 HydrophobicContact CG-CB 4.1Å; P1047-F1102 HydrophobicContact CB-CB 4.3Å; P1047-L1105 HydrophobicContact CB-CD1 4.17Å |
| 1048 | I | 83.1 | Confident | 80 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 5% | 0.046 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -75.6 | -40.1 | -177 | -53.3 | 172.7 | 0 | 0 | 0 | 110.1 | F916 V919 L920 Y1045 F1046 N1050 F1051 L1052 L1105 | F916-I1048 HydrophobicContact CD1-CG2 4.48Å; V919-I1048 HydrophobicContact CB-CG2 4.45Å; V919-I1048 HydrophobicContact CG1-CG2 4Å; L920-I1048 HydrophobicContact CB-CD1 3.49Å; L920-I1048 VanDerWaalsContact CB-CD1 3.49Å; L920-I1048 HydrophobicContact CD1-CD1 3.45Å; L920-I1048 VanDerWaalsContact CD1-CD1 3.45Å; L920-I1048 HydrophobicContact CD1-CG1 4.33Å; L920-I1048 HydrophobicContact CD2-CD1 3.91Å; L920-I1048 HydrophobicContact CG-CD1 3.75Å; Y1045-I1048 HydrophobicContact CD1-CD1 3.97Å; Y1045-I1048 WeakPolarHBondContact O-CB 3.29Å; Y1045-I1048 PolarHBondContact O-N 2.9Å; F1046-I1048 VanDerWaalsContact C-N 3.27Å; F1046-I1048 PolarHBondContact O-N 3.25Å; I1048-N1050 VanDerWaalsContact C-N 3.33Å; I1048-F1051 PolarHBondContact O-N 3.41Å; I1048-L1052 HydrophobicContact CG2-CD1 3.98Å; I1048-L1052 HydrophobicContact CG2-CG 4.33Å; I1048-L1052 WeakPolarHBondContact O-CB 3.29Å; I1048-L1052 WeakPolarHBondContact O-CG 3.45Å; I1048-L1052 PolarHBondContact O-N 3.29Å; I1048-L1105 HydrophobicContact CG1-CD1 4.28Å |
| 1049 | I | 84.6 | Confident | 79.9 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.8 | -48.3 | 175.6 | -64.1 | 166.8 | 0 | 0 | 0 | 109.3 | I906 F916 W948 Y951 Y1045 F1046 F1053 | I906-I1049 HydrophobicContact CG2-CD1 4.11Å; F916-I1049 HydrophobicContact CD1-CG1 4.18Å; F916-I1049 HydrophobicContact CD2-CD1 4.4Å; F916-I1049 HydrophobicContact CD2-CG1 4.06Å; F916-I1049 HydrophobicContact CE1-CG1 3.97Å; F916-I1049 HydrophobicContact CE2-CD1 4.22Å; F916-I1049 HydrophobicContact CE2-CG1 3.85Å; F916-I1049 HydrophobicContact CG-CG1 4.24Å; F916-I1049 HydrophobicContact CZ-CG1 3.81Å; W948-I1049 HydrophobicContact CH2-CG2 4.21Å; W948-I1049 WeakPolarHBondContact CH2-O 3.27Å; W948-I1049 HydrophobicContact CZ3-CG2 4.2Å; Y951-I1049 HydrophobicContact CE2-CG2 4.15Å; Y1045-I1049 WeakPolarHBondContact O-CG1 3.41Å; Y1045-I1049 PolarHBondContact O-N 2.63Å; Y1045-I1049 VanDerWaalsContact O-N 3.11Å; F1046-I1049 PolarHBondContact O-N 3.45Å; I1049-F1053 WeakPolarHBondContact O-CB 3.4Å; I1049-F1053 PolarHBondContact O-N 2.98Å |
| 1050 | N | 85.2 | Confident | 80 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 176.7 | -75.8 | -44.7 | 0 | 0 | 0 | 112.9 | Y951 F1046 I1048 F1053 V1054 M1087 L1091 F1102 | Y951-N1050 PolarHBondContact OH-OD1 3.31Å; F1046-N1050 WeakPolarHBondContact CD1-ND2 3.46Å; F1046-N1050 WeakPolarHBondContact CE1-ND2 3.5Å; F1046-N1050 WeakPolarHBondContact CE2-ND2 3.38Å; F1046-N1050 WeakPolarHBondContact CZ-ND2 3.32Å; F1046-N1050 PolarHBondContact O-N 3.16Å; F1046-N1050 VanDerWaalsContact O-N 3.15Å; F1046-N1050 PolarHBondContact O-ND2 3.34Å; F1046-N1050 VanDerWaalsContact O-ND2 3.1Å; I1048-N1050 VanDerWaalsContact C-N 3.33Å; N1050-F1053 WeakPolarHBondContact O-CB 3.37Å; N1050-F1053 PolarHBondContact O-N 3.06Å; N1050-V1054 WeakPolarHBondContact O-CG2 3.33Å; N1050-V1054 PolarHBondContact O-N 3.43Å; N1050-V1054 VanDerWaalsContact O-N 3.11Å; N1050-M1087 HydrophobicContact CB-CE 3.69Å; N1050-L1091 HydrophobicContact CB-CD2 4.45Å; N1050-F1102 HydrophobicContact CB-CD2 3.92Å; N1050-F1102 HydrophobicContact CB-CE2 3.92Å |
| 1051 | F | 85.4 | Confident | 80.4 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.7 | -50.5 | 176.5 | 166.6 | -103.6 | 0 | 0 | 0 | 111.9 | Y937 P1047 I1048 F1053 V1054 V1055 F1102 L1105 I1106 F1109 | Y937-F1051 HydrophobicContact CD1-CE1 4.03Å; Y937-F1051 HydrophobicContact CD1-CZ 4.38Å; Y937-F1051 AromaticContact CE1-CE1 3.51Å; Y937-F1051 HydrophobicContact CE1-CE1 3.51Å; Y937-F1051 AromaticContact CE1-CZ 3.84Å; Y937-F1051 HydrophobicContact CE1-CZ 3.84Å; Y937-F1051 AromaticContact CZ-CZ 3.93Å; P1047-F1051 WeakPolarHBondContact O-CB 3.27Å; P1047-F1051 PolarHBondContact O-N 3.45Å; I1048-F1051 PolarHBondContact O-N 3.41Å; F1051-F1053 VanDerWaalsContact C-N 3.25Å; F1051-F1053 PolarHBondContact O-N 3.48Å; F1051-V1054 PolarHBondContact O-N 3.23Å; F1051-V1055 HydrophobicContact CD2-CG2 4.25Å; F1051-V1055 HydrophobicContact CE1-CG2 4.28Å; F1051-V1055 HydrophobicContact CE2-CG2 3.77Å; F1051-V1055 HydrophobicContact CZ-CG2 3.78Å; F1051-V1055 WeakPolarHBondContact O-CG2 3.24Å; F1051-V1055 PolarHBondContact O-N 3.07Å; F1051-F1102 HydrophobicContact CB-CD2 4.13Å; F1051-F1102 HydrophobicContact CB-CE2 4.32Å; F1051-L1105 HydrophobicContact CB-CB 4.32Å; F1051-L1105 HydrophobicContact CB-CD1 4.15Å; F1051-L1105 HydrophobicContact CD1-CB 4.46Å; F1051-L1105 HydrophobicContact CD2-CB 3.8Å; F1051-L1105 HydrophobicContact CE2-CB 4.25Å; F1051-L1105 WeakPolarHBondContact CE2-O 3.41Å; F1051-L1105 HydrophobicContact CG-CB 3.92Å; F1051-L1105 HydrophobicContact CG-CD1 4.41Å; F1051-I1106 HydrophobicContact CD2-CG1 3.81Å; F1051-I1106 HydrophobicContact CE2-CG1 4.26Å; F1051-F1109 HydrophobicContact CE2-CB 3.74Å; F1051-F1109 HydrophobicContact CE2-CD2 4.42Å; F1051-F1109 HydrophobicContact CE2-CG 4.22Å; F1051-F1109 HydrophobicContact CZ-CB 3.85Å; F1051-F1109 HydrophobicContact CZ-CD2 4.03Å; F1051-F1109 HydrophobicContact CZ-CG 4.23Å |
| 1052 | L | 83.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.1 | -33.6 | 177.5 | -73 | 172.7 | 0 | 0 | 0 | 112.1 | F916 V919 Y937 A940 W948 I1048 A1056 | F916-L1052 HydrophobicContact CD1-CD1 3.62Å; F916-L1052 HydrophobicContact CE1-CD1 3.68Å; V919-L1052 HydrophobicContact CG1-CD1 4.39Å; V919-L1052 HydrophobicContact CG1-CD2 4.37Å; V919-L1052 HydrophobicContact CG2-CD1 4.35Å; Y937-L1052 HydrophobicContact CD1-CD2 4.38Å; A940-L1052 HydrophobicContact CB-CD2 3.99Å; W948-L1052 HydrophobicContact CH2-CB 4.25Å; W948-L1052 HydrophobicContact CZ2-CB 3.98Å; I1048-L1052 HydrophobicContact CG2-CD1 3.98Å; I1048-L1052 HydrophobicContact CG2-CG 4.33Å; I1048-L1052 WeakPolarHBondContact O-CB 3.29Å; I1048-L1052 WeakPolarHBondContact O-CG 3.45Å; I1048-L1052 PolarHBondContact O-N 3.29Å; L1052-A1056 WeakPolarHBondContact O-CB 3.39Å; L1052-A1056 PolarHBondContact O-N 3.32Å |
| 1053 | F | 85.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.3 | -49.4 | 173.4 | 172.5 | -110.2 | 0 | 0 | 0 | 112 | W948 Y951 L952 I955 I1049 N1050 F1051 V1055 A1056 Q1057 L1083 M1087 | W948-F1053 HydrophobicContact CD2-CD2 4.11Å; W948-F1053 HydrophobicContact CE3-CB 3.94Å; W948-F1053 AromaticContact CE3-CD2 3.55Å; W948-F1053 HydrophobicContact CE3-CD2 3.55Å; W948-F1053 HydrophobicContact CE3-CG 4.19Å; W948-F1053 HydrophobicContact CH2-CB 4.03Å; W948-F1053 HydrophobicContact CZ3-CB 3.62Å; W948-F1053 HydrophobicContact CZ3-CD2 4.11Å; W948-F1053 HydrophobicContact CZ3-CG 4.29Å; Y951-F1053 HydrophobicContact CD1-CB 4.28Å; Y951-F1053 AromaticContact CD1-CD1 3.96Å; Y951-F1053 HydrophobicContact CD1-CD1 3.96Å; Y951-F1053 AromaticContact CD1-CD2 3.39Å; Y951-F1053 HydrophobicContact CD1-CD2 3.39Å; Y951-F1053 HydrophobicContact CD1-CE1 4.1Å; Y951-F1053 AromaticContact CD1-CE2 3.56Å; Y951-F1053 HydrophobicContact CD1-CE2 3.56Å; Y951-F1053 AromaticContact CD1-CG 3.59Å; Y951-F1053 HydrophobicContact CD1-CG 3.59Å; Y951-F1053 AromaticContact CD1-CZ 3.91Å; Y951-F1053 HydrophobicContact CD1-CZ 3.91Å; Y951-F1053 HydrophobicContact CE1-CB 3.96Å; Y951-F1053 AromaticContact CE1-CD1 3.75Å; Y951-F1053 HydrophobicContact CE1-CD1 3.75Å; Y951-F1053 AromaticContact CE1-CD2 3.91Å; Y951-F1053 HydrophobicContact CE1-CD2 3.91Å; Y951-F1053 HydrophobicContact CE1-CE1 4.2Å; Y951-F1053 HydrophobicContact CE1-CE2 4.34Å; Y951-F1053 AromaticContact CE1-CG 3.58Å; Y951-F1053 HydrophobicContact CE1-CG 3.58Å; Y951-F1053 HydrophobicContact CE1-CZ 4.46Å; Y951-F1053 HydrophobicContact CG-CD2 4.3Å; Y951-F1053 HydrophobicContact CG-CE2 4.44Å; L952-F1053 HydrophobicContact CB-CE2 4.03Å; L952-F1053 HydrophobicContact CB-CZ 4.22Å; L952-F1053 HydrophobicContact CD1-CE2 4.27Å; L952-F1053 HydrophobicContact CD1-CZ 3.84Å; I955-F1053 HydrophobicContact CD1-CD1 4.04Å; I955-F1053 HydrophobicContact CD1-CE1 3.52Å; I955-F1053 HydrophobicContact CD1-CZ 3.85Å; I955-F1053 HydrophobicContact CG2-CE1 4.47Å; I1049-F1053 WeakPolarHBondContact O-CB 3.4Å; I1049-F1053 PolarHBondContact O-N 2.98Å; N1050-F1053 WeakPolarHBondContact O-CB 3.37Å; N1050-F1053 PolarHBondContact O-N 3.06Å; F1051-F1053 VanDerWaalsContact C-N 3.25Å; F1051-F1053 PolarHBondContact O-N 3.48Å; F1053-V1055 PolarHBondContact O-N 3.18Å; F1053-A1056 WeakPolarHBondContact O-CB 3.38Å; F1053-A1056 PolarHBondContact O-N 3.07Å; F1053-Q1057 HydrophobicContact CE2-CG 4.12Å; F1053-Q1057 VanDerWaalsContact CE2-NE2 3.32Å; F1053-Q1057 HydrophobicContact CZ-CG 4.17Å; F1053-Q1057 WeakPolarHBondContact O-CG 3.36Å; F1053-Q1057 PolarHBondContact O-N 3.4Å; F1053-L1083 HydrophobicContact CE1-CD1 3.71Å; F1053-L1083 HydrophobicContact CZ-CD1 3.76Å; F1053-M1087 HydrophobicContact CD1-CE 4.19Å; F1053-M1087 HydrophobicContact CD1-CG 4.49Å; F1053-M1087 HydrophobicContact CD1-SD 3.55Å; F1053-M1087 VanDerWaalsContact CD1-SD 3.55Å; F1053-M1087 HydrophobicContact CE1-CG 4.2Å; F1053-M1087 HydrophobicContact CE1-SD 3.62Å |
| 1054 | V | 84.1 | Confident | 80.7 | Confident | 10 Ų | 10 | 24.7 Ų | 24.7 | 6% | 0.061 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.9 | -47.1 | 177.9 | 173.3 | 0 | 0 | 0 | 0 | 110.2 | N1050 F1051 A1056 Q1057 L1058 M1087 F1102 F1135 | N1050-V1054 WeakPolarHBondContact O-CG2 3.33Å; N1050-V1054 PolarHBondContact O-N 3.43Å; N1050-V1054 VanDerWaalsContact O-N 3.11Å; F1051-V1054 PolarHBondContact O-N 3.23Å; V1054-A1056 PolarHBondContact O-N 3Å; V1054-Q1057 PolarHBondContact O-N 3.35Å; V1054-L1058 HydrophobicContact CG1-CD1 4.47Å; V1054-L1058 HydrophobicContact CG1-CG 4.39Å; V1054-L1058 WeakPolarHBondContact O-CG 3.45Å; V1054-L1058 PolarHBondContact O-N 3.16Å; V1054-M1087 HydrophobicContact CG2-CE 3.97Å; V1054-F1102 HydrophobicContact CG2-CE2 4.29Å; V1054-F1102 HydrophobicContact CG2-CZ 4.08Å; V1054-F1135 HydrophobicContact CG2-CE2 4.43Å; V1054-F1135 HydrophobicContact CG2-CZ 4.47Å |
| 1055 | V | 83.8 | Confident | 80.5 | Confident | 14 Ų | 14 | 28.6 Ų | 28.6 | 9% | 0.085 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.2 | -33.2 | 177.6 | 176.1 | 0 | 0 | 0 | 0 | 112.4 | V941 F1051 F1053 Q1057 P1059 F1109 | V941-V1055 HydrophobicContact CG2-CG1 4.27Å; F1051-V1055 HydrophobicContact CD2-CG2 4.25Å; F1051-V1055 HydrophobicContact CE1-CG2 4.28Å; F1051-V1055 HydrophobicContact CE2-CG2 3.77Å; F1051-V1055 HydrophobicContact CZ-CG2 3.78Å; F1051-V1055 WeakPolarHBondContact O-CG2 3.24Å; F1051-V1055 PolarHBondContact O-N 3.07Å; F1053-V1055 PolarHBondContact O-N 3.18Å; V1055-Q1057 VanDerWaalsContact C-N 3.32Å; V1055-Q1057 PolarHBondContact O-N 3.49Å; V1055-P1059 VanDerWaalsContact O-CD 3.28Å; V1055-P1059 WeakPolarHBondContact O-CD 3.11Å; V1055-F1109 HydrophobicContact CG1-CE2 3.8Å; V1055-F1109 HydrophobicContact CG1-CZ 4.16Å; V1055-F1109 HydrophobicContact CG2-CD2 4.03Å; V1055-F1109 HydrophobicContact CG2-CE2 3.85Å; V1055-F1109 HydrophobicContact CG2-CG 4.5Å; V1055-F1109 HydrophobicContact CG2-CZ 4.18Å |
| 1056 | A | 83.8 | Confident | 79.9 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.2 | -23.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | V941 W948 L1052 F1053 V1054 | V941-A1056 HydrophobicContact CB-CB 4.5Å; V941-A1056 HydrophobicContact CG1-CB 3.66Å; V941-A1056 HydrophobicContact CG2-CB 4.04Å; W948-A1056 HydrophobicContact CG-CB 4.33Å; L1052-A1056 WeakPolarHBondContact O-CB 3.39Å; L1052-A1056 PolarHBondContact O-N 3.32Å; F1053-A1056 WeakPolarHBondContact O-CB 3.38Å; F1053-A1056 PolarHBondContact O-N 3.07Å; V1054-A1056 PolarHBondContact O-N 3Å |
| 1057 | Q | 82.5 | Confident | 78.9 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -93 | -26.9 | 179.4 | -53.5 | -47.1 | -32.2 | 0 | 0 | 113.5 | L952 F1053 V1054 V1055 P1059 K1060 L1083 | L952-Q1057 HydrophobicContact CD1-CG 4.35Å; F1053-Q1057 HydrophobicContact CE2-CG 4.12Å; F1053-Q1057 VanDerWaalsContact CE2-NE2 3.32Å; F1053-Q1057 HydrophobicContact CZ-CG 4.17Å; F1053-Q1057 WeakPolarHBondContact O-CG 3.36Å; F1053-Q1057 PolarHBondContact O-N 3.4Å; V1054-Q1057 PolarHBondContact O-N 3.35Å; V1055-Q1057 VanDerWaalsContact C-N 3.32Å; V1055-Q1057 PolarHBondContact O-N 3.49Å; Q1057-P1059 VanDerWaalsContact C-CD 3.46Å; Q1057-K1060 WeakPolarHBondContact O-CB 3.32Å; Q1057-K1060 PolarHBondContact O-N 3.29Å; Q1057-L1083 HydrophobicContact CB-CD2 4.17Å; Q1057-L1083 HydrophobicContact CG-CD2 4.35Å |
| 1058 | L | 80.9 | Confident | 78.3 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -52 | -43 | -178.2 | -67.3 | 171.2 | 0 | 0 | 0 | 114.5 | V1054 K1060 L1061 F1109 D1128 G1131 A1132 | V1054-L1058 HydrophobicContact CG1-CD1 4.47Å; V1054-L1058 HydrophobicContact CG1-CG 4.39Å; V1054-L1058 WeakPolarHBondContact O-CG 3.45Å; V1054-L1058 PolarHBondContact O-N 3.16Å; L1058-K1060 PolarHBondContact O-N 3.4Å; L1058-L1061 PolarHBondContact O-N 3.39Å; L1058-L1061 VanDerWaalsContact O-N 3.09Å; L1058-F1109 HydrophobicContact CD1-CE1 4.02Å; L1058-F1109 HydrophobicContact CD1-CZ 4.29Å; L1058-D1128 HydrophobicContact CB-CB 4.29Å; L1058-G1131 VanDerWaalsContact CD2-C 3.5Å; L1058-A1132 HydrophobicContact CD1-CB 4.06Å |
| 1059 | P | 78.9 | Confident | 77.8 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -65.4 | -13.5 | -179.1 | -23.4 | 35 | 0 | 0 | 0 | 114.9 | V1055 Q1057 R1072 | V1055-P1059 VanDerWaalsContact O-CD 3.28Å; V1055-P1059 WeakPolarHBondContact O-CD 3.11Å; Q1057-P1059 VanDerWaalsContact C-CD 3.46Å; P1059-R1072 VanDerWaalsContact O-CD 3.29Å; P1059-R1072 WeakPolarHBondContact O-CD 3.44Å; P1059-R1072 PolarHBondContact O-NE 2.85Å; P1059-R1072 PolarHBondContact O-NH1 3.02Å |
| 1060 | K | 77.8 | Confident | 77.2 | Confident | 52 Ų | 52 | 39.3 Ų | 39.3 | 23% | 0.226 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -89.4 | -7 | 179.4 | -57 | 178.5 | -173.9 | 168 | 0 | 112.8 | Q1057 L1058 R1072 V1078 | Q1057-K1060 WeakPolarHBondContact O-CB 3.32Å; Q1057-K1060 PolarHBondContact O-N 3.29Å; L1058-K1060 PolarHBondContact O-N 3.4Å; K1060-R1072 WeakPolarHBondContact O-CB 3.31Å; K1060-R1072 PolarHBondContact O-N 3.01Å; K1060-V1078 HydrophobicContact CD-CG2 4.27Å |
| 1061 | L | 78.8 | Confident | 76.5 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 153.5 | -172.2 | -60.5 | 166.7 | 0 | 0 | 0 | 112.1 | L1058 M1069 S1070 R1072 V1078 W1080 | L1058-L1061 PolarHBondContact O-N 3.39Å; L1058-L1061 VanDerWaalsContact O-N 3.09Å; L1061-M1069 HydrophobicContact CB-CE 3.57Å; L1061-M1069 HydrophobicContact CD1-CE 4.09Å; L1061-M1069 HydrophobicContact CG-CE 4.44Å; L1061-S1070 CarbonylContact C-O 3.53Å; L1061-S1070 WeakPolarHBondContact CA-O 3.4Å; L1061-R1072 PolarHBondContact O-NE 2.88Å; L1061-V1078 HydrophobicContact CD2-CG1 4.01Å; L1061-W1080 HydrophobicContact CD1-CE3 3.39Å; L1061-W1080 HydrophobicContact CD1-CZ3 3.42Å; L1061-W1080 VanDerWaalsContact CD1-CZ3 3.42Å |
| 1062 | Q | 77.5 | Confident | 75.6 | Confident | 99 Ų | 99 | 45.9 Ų | 45.9 | 46% | 0.463 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 135 | 176.8 | 178.6 | 173.3 | 0.6 | 0 | 0 | 110.1 | S1070 R1072 | Q1062-S1070 PolarHBondContact N-O 3.37Å; Q1062-S1070 PolarHBondContact O-N 3.23Å; Q1062-S1070 PolarHBondContact O-OG 2.92Å; Q1062-S1070 VanDerWaalsContact O-OG 3.1Å; Q1062-R1072 HydrophobicContact CB-CG 3.76Å |
| 1063 | Y | 74.9 | Confident | 74.7 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 25% | 0.247 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 132 | 176.6 | -177.5 | -94.5 | 0 | 0 | 0 | 111.4 | K1065 M1069 M1134 L1166 | Y1063-K1065 HydrophobicContact CE1-CG 4.29Å; Y1063-M1069 HydrophobicContact CD2-CG 4.21Å; Y1063-M1069 HydrophobicContact CD2-SD 3.98Å; Y1063-M1069 HydrophobicContact CG-SD 4.35Å; Y1063-M1134 HydrophobicContact CD2-CE 4.34Å; Y1063-M1134 HydrophobicContact CD2-CG 4.18Å; Y1063-M1134 HydrophobicContact CD2-SD 4.14Å; Y1063-M1134 HydrophobicContact CE2-CE 3.88Å; Y1063-M1134 HydrophobicContact CE2-CG 4.46Å; Y1063-M1134 HydrophobicContact CE2-SD 3.81Å; Y1063-L1166 HydrophobicContact CD1-CB 4.42Å; Y1063-L1166 HydrophobicContact CD1-CD1 3.72Å; Y1063-L1166 HydrophobicContact CD1-CD2 3.46Å; Y1063-L1166 VanDerWaalsContact CD1-CD2 3.46Å; Y1063-L1166 HydrophobicContact CD1-CG 4.07Å; Y1063-L1166 HydrophobicContact CD2-CD1 4.2Å; Y1063-L1166 HydrophobicContact CE1-CB 3.96Å; Y1063-L1166 HydrophobicContact CE1-CD1 3.55Å; Y1063-L1166 HydrophobicContact CE1-CD2 3.89Å; Y1063-L1166 HydrophobicContact CE1-CG 4.03Å; Y1063-L1166 HydrophobicContact CE2-CD1 4.05Å; Y1063-L1166 HydrophobicContact CG-CD1 4.03Å; Y1063-L1166 HydrophobicContact CG-CD2 4.11Å |
| 1064 | N | 72.6 | Confident | 73.4 | Confident | 60 Ų | 60 | 56.3 Ų | 56.3 | 32% | 0.321 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.9 | 172.4 | -77.7 | -33.6 | 0 | 0 | 0 | 109.9 | N1066 Q1067 G1068 S1070 | N1064-N1066 PolarHBondContact O-N 2.88Å; N1064-N1066 VanDerWaalsContact O-N 3.1Å; N1064-Q1067 HydrophobicContact CB-CB 4.29Å; N1064-Q1067 PolarHBondContact O-N 3.45Å; N1064-G1068 PolarHBondContact N-O 2.99Å; N1064-G1068 WeakPolarHBondContact O-CA 3.16Å; N1064-G1068 PolarHBondContact O-N 2.8Å; N1064-S1070 PolarHBondContact ND2-OG 2.81Å |
| 1065 | K | 66 | Low | 72.3 | Confident | 146 Ų | 146 | 61.4 Ų | 61.4 | 64% | 0.635 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -34.6 | -176.2 | -62.4 | -168.1 | -163.9 | -121.6 | 0 | 114.3 | Y1063 L1166 | Y1063-K1065 HydrophobicContact CE1-CG 4.29Å; K1065-L1166 WeakPolarHBondContact CD-O 3.3Å; K1065-L1166 WeakPolarHBondContact CE-O 3Å; K1065-L1166 WeakPolarHBondContact CG-O 3.48Å; K1065-L1166 PolarHBondContact NZ-O 2.64Å; K1065-L1166 PolarHBondContact NZ-OXT 2.8Å |
| 1066 | N | 63.5 | Low | 71.4 | Confident | 154 Ų | 154 | 62.9 Ų | 62.9 | 82% | 0.824 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -22.5 | -176 | -65.7 | -10.1 | 0 | 0 | 0 | 114.1 | N1064 | N1064-N1066 PolarHBondContact O-N 2.88Å; N1064-N1066 VanDerWaalsContact O-N 3.1Å |
| 1067 | Q | 61.9 | Low | 70.5 | Confident | 109 Ų | 109 | 65.2 Ų | 65.2 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -8.3 | -170.6 | -68.1 | 178.2 | -12.4 | 0 | 0 | 113.1 | N1064 | N1064-Q1067 HydrophobicContact CB-CB 4.29Å; N1064-Q1067 PolarHBondContact O-N 3.45Å |
| 1068 | G | 70.9 | Confident | 70.1 | Confident | 9 Ų | 9 | 65.6 Ų | 65.6 | 9% | 0.093 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.1 | -150.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1064 | N1064-G1068 PolarHBondContact N-O 2.99Å; N1064-G1068 WeakPolarHBondContact O-CA 3.16Å; N1064-G1068 PolarHBondContact O-N 2.8Å |
| 1069 | M | 72.6 | Confident | 69.9 | Low | 14 Ų | 14 | 65.7 Ų | 65.7 | 7% | 0.069 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 124.9 | 178.1 | -72.9 | -68.8 | -74.1 | 0 | 0 | 110.7 | L1061 Y1063 W1080 M1134 | L1061-M1069 HydrophobicContact CB-CE 3.57Å; L1061-M1069 HydrophobicContact CD1-CE 4.09Å; L1061-M1069 HydrophobicContact CG-CE 4.44Å; Y1063-M1069 HydrophobicContact CD2-CG 4.21Å; Y1063-M1069 HydrophobicContact CD2-SD 3.98Å; Y1063-M1069 HydrophobicContact CG-SD 4.35Å; M1069-W1080 HydrophobicContact CB-CB 3.97Å; M1069-W1080 HydrophobicContact CB-CD2 3.64Å; M1069-W1080 HydrophobicContact CB-CE3 4.29Å; M1069-W1080 HydrophobicContact CB-CG 3.49Å; M1069-W1080 VanDerWaalsContact CB-CG 3.49Å; M1069-W1080 HydrophobicContact CE-CH2 4.37Å; M1069-W1080 HydrophobicContact CE-CZ3 4.29Å; M1069-W1080 HydrophobicContact CG-CD2 4.11Å; M1069-W1080 HydrophobicContact CG-CG 4.37Å; M1069-W1080 HydrophobicContact CG-CZ2 4.14Å; M1069-W1080 WeakPolarHBondContact O-CB 3.49Å; M1069-M1134 HydrophobicContact CG-CB 4Å; M1069-M1134 HydrophobicContact CG-CG 4Å; M1069-M1134 HydrophobicContact SD-CB 4.46Å; M1069-M1134 HydrophobicContact SD-CG 4.15Å |
| 1070 | S | 70.8 | Confident | 70 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 164.5 | -176.8 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | L1061 Q1062 N1064 | L1061-S1070 CarbonylContact C-O 3.53Å; L1061-S1070 WeakPolarHBondContact CA-O 3.4Å; Q1062-S1070 PolarHBondContact N-O 3.37Å; Q1062-S1070 PolarHBondContact O-N 3.23Å; Q1062-S1070 PolarHBondContact O-OG 2.92Å; Q1062-S1070 VanDerWaalsContact O-OG 3.1Å; N1064-S1070 PolarHBondContact ND2-OG 2.81Å |
| 1071 | C | 70.7 | Confident | 70.3 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 22% | 0.216 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 140.1 | 176.1 | -96.8 | 0 | 0 | 0 | 0 | 112.7 | K1073 D1076 V1078 | C1071-K1073 VanDerWaalsContact C-N 3.35Å; C1071-D1076 PolarHBondContact SG-O 2.76Å; C1071-V1078 PolarHBondContact SG-O 2.92Å |
| 1072 | R | 65.8 | Low | 70.6 | Confident | 108 Ų | 108 | 61.6 Ų | 61.6 | 41% | 0.408 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -67.8 | -32.1 | 172.7 | -76.7 | 179.6 | -177.9 | -168.3 | -14.9 | 113.4 | P1059 K1060 L1061 Q1062 S1127 | P1059-R1072 VanDerWaalsContact O-CD 3.29Å; P1059-R1072 WeakPolarHBondContact O-CD 3.44Å; P1059-R1072 PolarHBondContact O-NE 2.85Å; P1059-R1072 PolarHBondContact O-NH1 3.02Å; K1060-R1072 WeakPolarHBondContact O-CB 3.31Å; K1060-R1072 PolarHBondContact O-N 3.01Å; L1061-R1072 PolarHBondContact O-NE 2.88Å; Q1062-R1072 HydrophobicContact CB-CG 3.76Å; R1072-S1127 PolarHBondContact NH2-OG 2.95Å |
| 1073 | K | 65.6 | Low | 71 | Confident | 137 Ų | 137 | 57.2 Ų | 57.2 | 60% | 0.596 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -129.7 | 134.3 | 177.7 | -64.4 | -179 | -179.5 | 178.9 | 0 | 109.4 | C1071 T1075 D1076 | C1071-K1073 VanDerWaalsContact C-N 3.35Å; K1073-T1075 PolarHBondContact O-N 3.05Å; K1073-D1076 PolarHBondContact O-N 2.92Å |
| 1074 | A | 59 | Low | 71.5 | Confident | 81 Ų | 81 | 54.2 Ų | 54.2 | 67% | 0.669 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -11.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 1075 | T | 59.3 | Low | 72.1 | Confident | 118 Ų | 118 | 51.4 Ų | 51.4 | 72% | 0.724 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -14.6 | 175.2 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | K1073 | K1073-T1075 PolarHBondContact O-N 3.05Š|
| 1076 | D | 65.3 | Low | 73 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -84.6 | 121 | 179.8 | -69.5 | -27.9 | 0 | 0 | 0 | 108.9 | C1071 K1073 V1078 | C1071-D1076 PolarHBondContact SG-O 2.76Å; K1073-D1076 PolarHBondContact O-N 2.92Å; D1076-V1078 PolarHBondContact O-N 2.71Å |
| 1077 | P | 65.9 | Low | 74.1 | Confident | 55 Ų | 55 | 37.2 Ų | 37.2 | 36% | 0.357 | 21% | 0.205 | S | C | . | . | trans | -84.3 | 60 | -173.5 | 35.4 | -36.7 | 0 | 0 | 0 | 110.7 | K842 M956 | K842-P1077 HydrophobicContact CG-CB 4.16Å; M956-P1077 WeakPolarHBondContact CE-O 3.01Å | ||
| 1078 | V | 73.3 | Confident | 75.2 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | trans | -123.7 | 114.6 | -179.3 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | L952 K1060 L1061 C1071 D1076 L1083 | L952-V1078 HydrophobicContact CD1-CG2 4.49Å; L952-V1078 HydrophobicContact CD2-CG2 3.89Å; K1060-V1078 HydrophobicContact CD-CG2 4.27Å; L1061-V1078 HydrophobicContact CD2-CG1 4.01Å; C1071-V1078 PolarHBondContact SG-O 2.92Å; D1076-V1078 PolarHBondContact O-N 2.71Å; V1078-L1083 HydrophobicContact CG1-CD2 4.04Å | ||
| 1079 | D | 77.2 | Confident | 76 | Confident | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | trans | -104.1 | 130.1 | 170 | -169.2 | 7.7 | 0 | 0 | 0 | 109.3 | P841 Y846 M956 P1081 P1082 L1083 | P841-D1079 HydrophobicContact CB-CB 4.31Å; Y846-D1079 PolarHBondContact N-OD2 3.38Å; M956-D1079 HydrophobicContact CE-CB 4.21Å; D1079-P1081 VanDerWaalsContact OD1-CD 3.3Å; D1079-P1081 WeakPolarHBondContact OD1-CD 3.49Å; D1079-P1082 HydrophobicContact CB-CG 3.8Å; D1079-P1082 WeakPolarHBondContact OD2-CD 3.06Å; D1079-P1082 VanDerWaalsContact OD2-CG 3.29Å; D1079-P1082 WeakPolarHBondContact OD2-CG 3.39Å; D1079-L1083 VanDerWaalsContact O-CB 3.28Å; D1079-L1083 WeakPolarHBondContact O-CB 3.39Å; D1079-L1083 PolarHBondContact O-N 3.05Å; D1079-L1083 VanDerWaalsContact O-N 3.14Å | ||
| 1080 | W | 80.9 | Confident | 76.6 | Confident | 12 Ų | 12 | 31.3 Ų | 31.3 | 5% | 0.045 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.9 | -53.8 | -169.1 | 172.8 | -103.2 | 0 | 0 | 0 | 112.9 | L1061 M1069 L1083 V1084 G1131 M1134 F1135 D1138 | L1061-W1080 HydrophobicContact CD1-CE3 3.39Å; L1061-W1080 HydrophobicContact CD1-CZ3 3.42Å; L1061-W1080 VanDerWaalsContact CD1-CZ3 3.42Å; M1069-W1080 HydrophobicContact CB-CB 3.97Å; M1069-W1080 HydrophobicContact CB-CD2 3.64Å; M1069-W1080 HydrophobicContact CB-CE3 4.29Å; M1069-W1080 HydrophobicContact CB-CG 3.49Å; M1069-W1080 VanDerWaalsContact CB-CG 3.49Å; M1069-W1080 HydrophobicContact CE-CH2 4.37Å; M1069-W1080 HydrophobicContact CE-CZ3 4.29Å; M1069-W1080 HydrophobicContact CG-CD2 4.11Å; M1069-W1080 HydrophobicContact CG-CG 4.37Å; M1069-W1080 HydrophobicContact CG-CZ2 4.14Å; M1069-W1080 WeakPolarHBondContact O-CB 3.49Å; W1080-L1083 WeakPolarHBondContact O-CB 3.28Å; W1080-L1083 PolarHBondContact O-N 3.09Å; W1080-L1083 VanDerWaalsContact O-N 3.16Å; W1080-V1084 HydrophobicContact CD2-CG2 3.86Å; W1080-V1084 HydrophobicContact CE3-CG2 4.22Å; W1080-V1084 HydrophobicContact CG-CG2 4.41Å; W1080-V1084 HydrophobicContact CH2-CG2 4.23Å; W1080-V1084 HydrophobicContact CZ2-CG2 3.78Å; W1080-V1084 HydrophobicContact CZ3-CG2 4.4Å; W1080-V1084 WeakPolarHBondContact O-CG2 3.4Å; W1080-V1084 PolarHBondContact O-N 2.77Å; W1080-G1131 WeakPolarHBondContact CH2-O 3.45Å; W1080-M1134 HydrophobicContact CZ2-CB 3.93Å; W1080-F1135 HydrophobicContact CH2-CB 3.74Å; W1080-F1135 HydrophobicContact CH2-CD2 4.24Å; W1080-F1135 HydrophobicContact CZ2-CB 4.12Å; W1080-D1138 PolarHBondContact NE1-OD2 2.87Å |
| 1081 | P | 83.1 | Confident | 77.2 | Confident | 11 Ų | 11 | 30.3 Ų | 30.3 | 7% | 0.071 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | -179.1 | -21.2 | 34.3 | 0 | 0 | 0 | 113.9 | Y846 I963 D1079 L1083 V1084 L1085 | Y846-P1081 HydrophobicContact CD1-CB 3.89Å; Y846-P1081 HydrophobicContact CD1-CG 4.08Å; I963-P1081 HydrophobicContact CD1-CB 4.27Å; D1079-P1081 VanDerWaalsContact OD1-CD 3.3Å; D1079-P1081 WeakPolarHBondContact OD1-CD 3.49Å; P1081-L1083 VanDerWaalsContact C-N 3.32Å; P1081-L1083 PolarHBondContact O-N 2.89Å; P1081-V1084 PolarHBondContact O-N 2.99Å; P1081-L1085 WeakPolarHBondContact O-CB 3.22Å; P1081-L1085 WeakPolarHBondContact O-CG 3.29Å; P1081-L1085 PolarHBondContact O-N 3.37Å |
| 1082 | P | 85.8 | Confident | 77.9 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.019 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.3 | -39.2 | 171.9 | -24.9 | 34.1 | 0 | 0 | 0 | 113.2 | G959 I963 D1079 G1086 | G959-P1082 VanDerWaalsContact CA-O 3.28Å; G959-P1082 WeakPolarHBondContact CA-O 3.33Å; I963-P1082 HydrophobicContact CD1-CB 4.2Å; I963-P1082 HydrophobicContact CD1-CG 3.63Å; D1079-P1082 HydrophobicContact CB-CG 3.8Å; D1079-P1082 WeakPolarHBondContact OD2-CD 3.06Å; D1079-P1082 VanDerWaalsContact OD2-CG 3.29Å; D1079-P1082 WeakPolarHBondContact OD2-CG 3.39Å; P1082-G1086 PolarHBondContact O-N 2.62Å |
| 1083 | L | 85.8 | Confident | 78.7 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -47.5 | 177.9 | -179 | 68.2 | 0 | 0 | 0 | 111.7 | L952 I955 F1053 Q1057 V1078 D1079 W1080 P1081 M1087 | L952-L1083 HydrophobicContact CD1-CD1 3.76Å; I955-L1083 HydrophobicContact CG2-CD1 4.14Å; F1053-L1083 HydrophobicContact CE1-CD1 3.71Å; F1053-L1083 HydrophobicContact CZ-CD1 3.76Å; Q1057-L1083 HydrophobicContact CB-CD2 4.17Å; Q1057-L1083 HydrophobicContact CG-CD2 4.35Å; V1078-L1083 HydrophobicContact CG1-CD2 4.04Å; D1079-L1083 VanDerWaalsContact O-CB 3.28Å; D1079-L1083 WeakPolarHBondContact O-CB 3.39Å; D1079-L1083 PolarHBondContact O-N 3.05Å; D1079-L1083 VanDerWaalsContact O-N 3.14Å; W1080-L1083 WeakPolarHBondContact O-CB 3.28Å; W1080-L1083 PolarHBondContact O-N 3.09Å; W1080-L1083 VanDerWaalsContact O-N 3.16Å; P1081-L1083 VanDerWaalsContact C-N 3.32Å; P1081-L1083 PolarHBondContact O-N 2.89Å; L1083-M1087 WeakPolarHBondContact O-CB 3.37Å; L1083-M1087 WeakPolarHBondContact O-CG 3.45Å; L1083-M1087 PolarHBondContact O-N 3.36Å; L1083-M1087 VanDerWaalsContact O-N 3.07Å |
| 1084 | V | 85.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.6 | -48.3 | -179.4 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | W1080 P1081 M1087 L1088 F1135 D1138 Y1142 | W1080-V1084 HydrophobicContact CD2-CG2 3.86Å; W1080-V1084 HydrophobicContact CE3-CG2 4.22Å; W1080-V1084 HydrophobicContact CG-CG2 4.41Å; W1080-V1084 HydrophobicContact CH2-CG2 4.23Å; W1080-V1084 HydrophobicContact CZ2-CG2 3.78Å; W1080-V1084 HydrophobicContact CZ3-CG2 4.4Å; W1080-V1084 WeakPolarHBondContact O-CG2 3.4Å; W1080-V1084 PolarHBondContact O-N 2.77Å; P1081-V1084 PolarHBondContact O-N 2.99Å; V1084-M1087 PolarHBondContact O-N 3.07Å; V1084-L1088 HydrophobicContact CG1-CD1 3.85Å; V1084-L1088 WeakPolarHBondContact O-CB 3.46Å; V1084-L1088 WeakPolarHBondContact O-CG 3.3Å; V1084-L1088 PolarHBondContact O-N 2.89Å; V1084-F1135 HydrophobicContact CB-CE2 4.5Å; V1084-F1135 HydrophobicContact CG1-CD2 4.48Å; V1084-F1135 HydrophobicContact CG1-CE2 4.33Å; V1084-F1135 HydrophobicContact CG2-CD2 3.92Å; V1084-F1135 HydrophobicContact CG2-CE2 4.24Å; V1084-D1138 HydrophobicContact CG1-CB 4.05Å; V1084-Y1142 HydrophobicContact CG1-CD2 4.18Å; V1084-Y1142 HydrophobicContact CG1-CE2 4.41Å |
| 1085 | L | 85.3 | Confident | 80.7 | Confident | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.9 | -38.2 | -179.1 | -69.5 | 173.6 | 0 | 0 | 0 | 112.6 | I963 L1033 P1081 L1088 T1089 Y1142 | I963-L1085 HydrophobicContact CD1-CD1 3.97Å; I963-L1085 HydrophobicContact CG1-CD1 3.28Å; L1033-L1085 HydrophobicContact CD1-CD2 3.7Å; L1033-L1085 HydrophobicContact CD2-CD2 3.84Å; L1033-L1085 HydrophobicContact CG-CD2 4.45Å; P1081-L1085 WeakPolarHBondContact O-CB 3.22Å; P1081-L1085 WeakPolarHBondContact O-CG 3.29Å; P1081-L1085 PolarHBondContact O-N 3.37Å; L1085-L1088 HydrophobicContact CD2-CD1 3.98Å; L1085-L1088 WeakPolarHBondContact O-CB 3.3Å; L1085-L1088 PolarHBondContact O-N 2.97Å; L1085-T1089 WeakPolarHBondContact O-CB 3.25Å; L1085-T1089 PolarHBondContact O-N 2.84Å; L1085-T1089 PolarHBondContact O-OG1 3.05Å; L1085-T1089 VanDerWaalsContact O-OG1 3.12Å; L1085-Y1142 HydrophobicContact CD2-CD1 3.76Å; L1085-Y1142 HydrophobicContact CD2-CD2 3.83Å; L1085-Y1142 HydrophobicContact CD2-CE1 4.14Å; L1085-Y1142 HydrophobicContact CD2-CE2 4.2Å; L1085-Y1142 HydrophobicContact CD2-CG 3.61Å; L1085-Y1142 HydrophobicContact CG-CD2 4.48Å; L1085-Y1142 HydrophobicContact CG-CE2 4.43Å |
| 1086 | G | 85.6 | Confident | 81.8 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1082 T1089 L1090 | P1082-G1086 PolarHBondContact O-N 2.62Å; G1086-T1089 PolarHBondContact O-N 2.91Å; G1086-L1090 WeakPolarHBondContact O-CB 3.32Å; G1086-L1090 PolarHBondContact O-N 3.35Å |
| 1087 | M | 86.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 175.4 | -75.9 | -60 | -63.4 | 0 | 0 | 112.4 | I955 N1050 F1053 V1054 L1083 V1084 L1090 L1091 F1102 F1135 | I955-M1087 HydrophobicContact CD1-SD 3.58Å; I955-M1087 VanDerWaalsContact CD1-SD 3.58Å; I955-M1087 HydrophobicContact CG2-CG 4.09Å; I955-M1087 HydrophobicContact CG2-SD 4.26Å; N1050-M1087 HydrophobicContact CB-CE 3.69Å; F1053-M1087 HydrophobicContact CD1-CE 4.19Å; F1053-M1087 HydrophobicContact CD1-CG 4.49Å; F1053-M1087 HydrophobicContact CD1-SD 3.55Å; F1053-M1087 VanDerWaalsContact CD1-SD 3.55Å; F1053-M1087 HydrophobicContact CE1-CG 4.2Å; F1053-M1087 HydrophobicContact CE1-SD 3.62Å; V1054-M1087 HydrophobicContact CG2-CE 3.97Å; L1083-M1087 WeakPolarHBondContact O-CB 3.37Å; L1083-M1087 WeakPolarHBondContact O-CG 3.45Å; L1083-M1087 PolarHBondContact O-N 3.36Å; L1083-M1087 VanDerWaalsContact O-N 3.07Å; V1084-M1087 PolarHBondContact O-N 3.07Å; M1087-L1090 PolarHBondContact O-N 2.62Å; M1087-L1091 WeakPolarHBondContact O-CB 3.26Å; M1087-L1091 WeakPolarHBondContact O-CG 3.24Å; M1087-L1091 PolarHBondContact O-N 3.41Å; M1087-F1102 HydrophobicContact CE-CE2 4.32Å; M1087-F1102 HydrophobicContact CE-CZ 4.29Å; M1087-F1135 HydrophobicContact CB-CE2 4.33Å; M1087-F1135 HydrophobicContact CB-CZ 4.29Å |
| 1088 | L | 85.9 | Confident | 83.4 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.3 | -51.7 | 174.8 | -85.1 | 164.9 | 0 | 0 | 0 | 112 | V1084 L1085 L1090 L1091 K1092 Y1139 Y1142 T1143 | V1084-L1088 HydrophobicContact CG1-CD1 3.85Å; V1084-L1088 WeakPolarHBondContact O-CB 3.46Å; V1084-L1088 WeakPolarHBondContact O-CG 3.3Å; V1084-L1088 PolarHBondContact O-N 2.89Å; L1085-L1088 HydrophobicContact CD2-CD1 3.98Å; L1085-L1088 WeakPolarHBondContact O-CB 3.3Å; L1085-L1088 PolarHBondContact O-N 2.97Å; L1088-L1090 VanDerWaalsContact C-N 3.31Å; L1088-L1090 PolarHBondContact O-N 2.99Å; L1088-L1091 PolarHBondContact O-N 2.95Å; L1088-K1092 WeakPolarHBondContact O-CG 3.44Å; L1088-K1092 PolarHBondContact O-N 3.15Å; L1088-K1092 VanDerWaalsContact O-N 3.11Å; L1088-Y1139 HydrophobicContact CD2-CD1 4.26Å; L1088-Y1139 HydrophobicContact CD2-CD2 3.23Å; L1088-Y1139 HydrophobicContact CD2-CE1 4.18Å; L1088-Y1139 HydrophobicContact CD2-CE2 3.15Å; L1088-Y1139 HydrophobicContact CD2-CG 3.78Å; L1088-Y1139 HydrophobicContact CG-CD2 3.85Å; L1088-Y1139 HydrophobicContact CG-CE2 4.02Å; L1088-Y1142 HydrophobicContact CD1-CD2 4.15Å; L1088-Y1142 HydrophobicContact CD1-CG 4.31Å; L1088-T1143 HydrophobicContact CD2-CG2 3.33Å |
| 1089 | T | 85.8 | Confident | 83.9 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 178.7 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | V958 Q962 Y1037 L1085 G1086 K1092 Q1093 | V958-T1089 HydrophobicContact CG1-CG2 3.84Å; Q962-T1089 HydrophobicContact CG-CG2 4.44Å; Q962-T1089 WeakPolarHBondContact CG-OG1 3.45Å; Q962-T1089 VanDerWaalsContact NE2-CG2 3.33Å; Q962-T1089 PolarHBondContact NE2-OG1 2.93Å; Y1037-T1089 HydrophobicContact CD2-CG2 4.22Å; Y1037-T1089 HydrophobicContact CE2-CG2 3.88Å; L1085-T1089 WeakPolarHBondContact O-CB 3.25Å; L1085-T1089 PolarHBondContact O-N 2.84Å; L1085-T1089 PolarHBondContact O-OG1 3.05Å; L1085-T1089 VanDerWaalsContact O-OG1 3.12Å; G1086-T1089 PolarHBondContact O-N 2.91Å; T1089-K1092 PolarHBondContact O-N 3Å; T1089-Q1093 VanDerWaalsContact O-CG 3.28Å; T1089-Q1093 WeakPolarHBondContact O-CG 3.23Å; T1089-Q1093 PolarHBondContact O-N 2.88Å; T1089-Q1093 PolarHBondContact O-NE2 3.06Å |
| 1090 | L | 86.1 | Confident | 84.2 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -49 | 179.4 | 179.7 | 65 | 0 | 0 | 0 | 111.9 | L895 F898 I955 F1046 G1086 M1087 L1088 K1092 Q1093 F1094 | L895-L1090 HydrophobicContact CD2-CD1 4.07Å; F898-L1090 HydrophobicContact CD1-CD1 3.9Å; F898-L1090 HydrophobicContact CE1-CD1 3.53Å; F898-L1090 HydrophobicContact CE1-CD2 3.9Å; F898-L1090 HydrophobicContact CE1-CG 4.36Å; F898-L1090 HydrophobicContact CE2-CD2 4.34Å; F898-L1090 HydrophobicContact CZ-CD1 4.12Å; F898-L1090 HydrophobicContact CZ-CD2 3.61Å; I955-L1090 HydrophobicContact CD1-CD2 4.31Å; F1046-L1090 HydrophobicContact CZ-CD1 4.26Å; F1046-L1090 HydrophobicContact CZ-CD2 4.29Å; F1046-L1090 HydrophobicContact CZ-CG 3.98Å; G1086-L1090 WeakPolarHBondContact O-CB 3.32Å; G1086-L1090 PolarHBondContact O-N 3.35Å; M1087-L1090 PolarHBondContact O-N 2.62Å; L1088-L1090 VanDerWaalsContact C-N 3.31Å; L1088-L1090 PolarHBondContact O-N 2.99Å; L1090-K1092 VanDerWaalsContact C-N 3.29Å; L1090-K1092 PolarHBondContact O-N 2.67Å; L1090-Q1093 PolarHBondContact O-N 2.87Å; L1090-F1094 HydrophobicContact CD1-CE2 4.19Å; L1090-F1094 WeakPolarHBondContact O-CD2 3.26Å |
| 1091 | L | 84.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.1 | -35.3 | -179.3 | -72.7 | 168.9 | 0 | 0 | 0 | 112.4 | F1046 N1050 M1087 L1088 Q1093 F1094 F1102 Y1139 | F1046-L1091 HydrophobicContact CE1-CD2 4.21Å; N1050-L1091 HydrophobicContact CB-CD2 4.45Å; M1087-L1091 WeakPolarHBondContact O-CB 3.26Å; M1087-L1091 WeakPolarHBondContact O-CG 3.24Å; M1087-L1091 PolarHBondContact O-N 3.41Å; L1088-L1091 PolarHBondContact O-N 2.95Å; L1091-Q1093 VanDerWaalsContact C-N 3.3Å; L1091-Q1093 PolarHBondContact O-N 3.4Å; L1091-F1094 PolarHBondContact O-N 2.93Å; L1091-F1102 HydrophobicContact CD1-CD1 3.49Å; L1091-F1102 VanDerWaalsContact CD1-CD1 3.49Å; L1091-F1102 HydrophobicContact CD1-CE1 3.44Å; L1091-F1102 VanDerWaalsContact CD1-CE1 3.44Å; L1091-F1102 HydrophobicContact CD1-CG 4.08Å; L1091-F1102 HydrophobicContact CD1-CZ 4Å; L1091-F1102 HydrophobicContact CD2-CB 4.38Å; L1091-F1102 HydrophobicContact CD2-CD1 4.44Å; L1091-F1102 HydrophobicContact CD2-CG 4.24Å; L1091-Y1139 HydrophobicContact CD1-CE2 4.17Å |
| 1092 | K | 84.3 | Confident | 84.3 | Confident | 47 Ų | 47 | 33.4 Ų | 33.4 | 20% | 0.204 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.7 | -20.5 | 176.9 | -77.6 | -175.9 | -179.5 | 177.1 | 0 | 114.7 | L1033 N1034 L1088 T1089 L1090 F1094 | L1033-K1092 WeakPolarHBondContact O-CD 3.25Å; L1033-K1092 PolarHBondContact O-NZ 2.85Å; N1034-K1092 PolarHBondContact OD1-NZ 2.97Å; L1088-K1092 WeakPolarHBondContact O-CG 3.44Å; L1088-K1092 PolarHBondContact O-N 3.15Å; L1088-K1092 VanDerWaalsContact O-N 3.11Å; T1089-K1092 PolarHBondContact O-N 3Å; L1090-K1092 VanDerWaalsContact C-N 3.29Å; L1090-K1092 PolarHBondContact O-N 2.67Å; K1092-F1094 PolarHBondContact O-N 3.03Å |
| 1093 | Q | 83.9 | Confident | 84.2 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -11.3 | 175.4 | -55.5 | -43.7 | -60.1 | 0 | 0 | 113.4 | L895 K1035 I1038 T1040 T1089 L1090 L1091 | L895-Q1093 HydrophobicContact CD1-CG 4.03Å; K1035-Q1093 PolarHBondContact O-NE2 2.93Å; I1038-Q1093 HydrophobicContact CD1-CB 4.44Å; I1038-Q1093 HydrophobicContact CG1-CB 4.07Å; I1038-Q1093 HydrophobicContact CG1-CG 4.08Å; T1040-Q1093 PolarHBondContact OG1-O 3.26Å; T1040-Q1093 VanDerWaalsContact OG1-O 3.09Å; T1089-Q1093 VanDerWaalsContact O-CG 3.28Å; T1089-Q1093 WeakPolarHBondContact O-CG 3.23Å; T1089-Q1093 PolarHBondContact O-N 2.88Å; T1089-Q1093 PolarHBondContact O-NE2 3.06Å; L1090-Q1093 PolarHBondContact O-N 2.87Å; L1091-Q1093 VanDerWaalsContact C-N 3.3Å; L1091-Q1093 PolarHBondContact O-N 3.4Å |
| 1094 | F | 82.9 | Confident | 84.1 | Confident | 12 Ų | 12 | 34.1 Ų | 34.1 | 5% | 0.053 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -111.7 | 164.9 | -179.8 | -69.2 | -93.1 | 0 | 0 | 0 | 110.6 | L899 T1040 L1043 F1046 L1090 L1091 K1092 S1096 Y1098 | L899-F1094 HydrophobicContact CD2-CZ 3.81Å; T1040-F1094 HydrophobicContact CG2-CD1 4.43Å; T1040-F1094 HydrophobicContact CG2-CE1 3.98Å; T1040-F1094 HydrophobicContact CG2-CE2 4.29Å; T1040-F1094 HydrophobicContact CG2-CZ 3.92Å; T1040-F1094 VanDerWaalsContact OG1-CD1 3.32Å; T1040-F1094 WeakPolarHBondContact OG1-CD1 3.39Å; L1043-F1094 HydrophobicContact CB-CE1 4.42Å; L1043-F1094 HydrophobicContact CD1-CE1 3.54Å; L1043-F1094 HydrophobicContact CD1-CZ 3.53Å; L1043-F1094 HydrophobicContact CG-CE1 3.92Å; L1043-F1094 HydrophobicContact CG-CZ 4.4Å; F1046-F1094 HydrophobicContact CD1-CD1 4.41Å; F1046-F1094 HydrophobicContact CD1-CD2 4.26Å; F1046-F1094 HydrophobicContact CD1-CG 4.17Å; F1046-F1094 HydrophobicContact CD2-CE2 4.47Å; F1046-F1094 HydrophobicContact CD2-CZ 4.27Å; F1046-F1094 HydrophobicContact CE1-CB 4.17Å; F1046-F1094 HydrophobicContact CE1-CD1 4.27Å; F1046-F1094 AromaticContact CE1-CD2 3.36Å; F1046-F1094 HydrophobicContact CE1-CD2 3.36Å; F1046-F1094 AromaticContact CE1-CE2 3.71Å; F1046-F1094 HydrophobicContact CE1-CE2 3.71Å; F1046-F1094 AromaticContact CE1-CG 3.67Å; F1046-F1094 HydrophobicContact CE1-CG 3.67Å; F1046-F1094 HydrophobicContact CE1-CZ 4.27Å; F1046-F1094 HydrophobicContact CE2-CD2 4.18Å; F1046-F1094 HydrophobicContact CE2-CE1 4.48Å; F1046-F1094 AromaticContact CE2-CE2 3.61Å; F1046-F1094 HydrophobicContact CE2-CE2 3.61Å; F1046-F1094 AromaticContact CE2-CZ 3.76Å; F1046-F1094 HydrophobicContact CE2-CZ 3.76Å; F1046-F1094 AromaticContact CZ-CD2 3.31Å; F1046-F1094 HydrophobicContact CZ-CD2 3.31Å; F1046-F1094 HydrophobicContact CZ-CE1 4.43Å; F1046-F1094 AromaticContact CZ-CE2 3.14Å; F1046-F1094 HydrophobicContact CZ-CE2 3.14Å; F1046-F1094 HydrophobicContact CZ-CG 4.03Å; F1046-F1094 AromaticContact CZ-CZ 3.75Å; F1046-F1094 HydrophobicContact CZ-CZ 3.75Å; L1090-F1094 HydrophobicContact CD1-CE2 4.19Å; L1090-F1094 WeakPolarHBondContact O-CD2 3.26Å; L1091-F1094 PolarHBondContact O-N 2.93Å; K1092-F1094 PolarHBondContact O-N 3.03Å; F1094-S1096 PolarHBondContact O-N 3.3Å; F1094-Y1098 HydrophobicContact CB-CD2 3.88Å; F1094-Y1098 HydrophobicContact CD1-CE2 4.49Å |
| 1095 | H | 82.3 | Confident | 84 | Confident | 131 Ų | 131 | 34.6 Ų | 34.6 | 61% | 0.606 | 17% | 0.166 | S | C | * | . | trans | -55.6 | 137.7 | 179 | -166.2 | -50.8 | 0 | 0 | 0 | 111.6 | R1097 Y1098 | H1095-R1097 PolarHBondContact ND1-N 3.31Å; H1095-R1097 PolarHBondContact O-N 3.35Å; H1095-Y1098 HydrophobicContact CB-CD2 4.22Å; H1095-Y1098 WeakPolarHBondContact O-CB 3.36Å; H1095-Y1098 PolarHBondContact O-N 2.98Å | ||
| 1096 | S | 82.1 | Confident | 83.9 | Confident | 74 Ų | 74 | 34.8 Ų | 34.8 | 52% | 0.517 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -44.9 | -28.8 | 178.8 | 57.5 | 0 | 0 | 0 | 0 | 116.2 | F1094 Y1098 T1099 Q1100 | F1094-S1096 PolarHBondContact O-N 3.3Å; S1096-Y1098 VanDerWaalsContact C-N 3.29Å; S1096-Y1098 PolarHBondContact O-N 3.34Å; S1096-T1099 WeakPolarHBondContact O-CB 3.48Å; S1096-T1099 PolarHBondContact O-N 3.27Å; S1096-Q1100 PolarHBondContact O-N 3.49Å; S1096-Q1100 VanDerWaalsContact O-N 3.09Å |
| 1097 | R | 82.3 | Confident | 83.8 | Confident | 159 Ų | 159 | 34.7 Ų | 34.7 | 60% | 0.6 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -62.3 | -35.1 | 177.1 | -173.3 | 175.5 | -177.6 | 170.3 | 3.5 | 112.6 | H1095 T1099 Q1100 Q1101 | H1095-R1097 PolarHBondContact ND1-N 3.31Å; H1095-R1097 PolarHBondContact O-N 3.35Å; R1097-T1099 VanDerWaalsContact C-N 3.34Å; R1097-Q1100 PolarHBondContact O-N 3.38Å; R1097-Q1101 WeakPolarHBondContact O-CG 3.33Å; R1097-Q1101 PolarHBondContact O-N 3.05Å |
| 1098 | Y | 83.1 | Confident | 83.6 | Confident | 29 Ų | 29 | 34.8 Ų | 34.8 | 11% | 0.114 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.1 | -39.2 | 177.4 | -71.5 | -60.6 | 0 | 0 | 0 | 111.6 | R1042 L1043 F1046 P1047 F1094 H1095 S1096 Q1101 F1102 | R1042-Y1098 WeakPolarHBondContact CG-OH 3.48Å; L1043-Y1098 PolarHBondContact N-OH 3.14Å; L1043-Y1098 PolarHBondContact O-OH 3.05Å; F1046-Y1098 HydrophobicContact CB-CE1 4.5Å; F1046-Y1098 HydrophobicContact CD1-CG 4.45Å; P1047-Y1098 HydrophobicContact CG-CD1 3.41Å; P1047-Y1098 VanDerWaalsContact CG-CD1 3.41Å; P1047-Y1098 HydrophobicContact CG-CE1 4.23Å; P1047-Y1098 HydrophobicContact CG-CG 4.22Å; F1094-Y1098 HydrophobicContact CB-CD2 3.88Å; F1094-Y1098 HydrophobicContact CD1-CE2 4.49Å; H1095-Y1098 HydrophobicContact CB-CD2 4.22Å; H1095-Y1098 WeakPolarHBondContact O-CB 3.36Å; H1095-Y1098 PolarHBondContact O-N 2.98Å; S1096-Y1098 VanDerWaalsContact C-N 3.29Å; S1096-Y1098 PolarHBondContact O-N 3.34Å; Y1098-Q1101 PolarHBondContact O-N 3.47Å; Y1098-F1102 WeakPolarHBondContact O-CB 3.34Å; Y1098-F1102 PolarHBondContact O-N 3.04Å |
| 1099 | T | 83 | Confident | 83.4 | Confident | 18 Ų | 18 | 35 Ų | 35 | 11% | 0.11 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | 174.4 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | S1096 R1097 Q1101 F1102 L1103 Y1139 | S1096-T1099 WeakPolarHBondContact O-CB 3.48Å; S1096-T1099 PolarHBondContact O-N 3.27Å; R1097-T1099 VanDerWaalsContact C-N 3.34Å; T1099-Q1101 VanDerWaalsContact C-N 3.35Å; T1099-Q1101 PolarHBondContact O-N 2.97Å; T1099-F1102 PolarHBondContact O-N 2.7Å; T1099-L1103 HydrophobicContact CG2-CD1 4.29Å; T1099-L1103 WeakPolarHBondContact O-CG 3.27Å; T1099-L1103 PolarHBondContact O-N 3.45Å; T1099-Y1139 WeakPolarHBondContact CG2-OH 3.45Å |
| 1100 | Q | 83.4 | Confident | 83.2 | Confident | 120 Ų | 120 | 35 Ų | 35 | 56% | 0.561 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -60.4 | -43.6 | 175.7 | -70.9 | 176.4 | -15 | 0 | 0 | 112 | S1096 R1097 L1103 A1104 | S1096-Q1100 PolarHBondContact O-N 3.49Å; S1096-Q1100 VanDerWaalsContact O-N 3.09Å; R1097-Q1100 PolarHBondContact O-N 3.38Å; Q1100-L1103 PolarHBondContact O-N 3Å; Q1100-A1104 WeakPolarHBondContact O-CB 3.28Å; Q1100-A1104 PolarHBondContact O-N 2.91Å |
| 1101 | Q | 82.4 | Confident | 82.9 | Confident | 82 Ų | 82 | 37.7 Ų | 37.7 | 38% | 0.383 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.9 | -42.7 | 176 | -74.1 | 177.5 | -11 | 0 | 0 | 111.9 | P1047 R1097 Y1098 T1099 A1104 L1105 | P1047-Q1101 HydrophobicContact CB-CB 4.12Å; P1047-Q1101 HydrophobicContact CG-CB 4.1Å; R1097-Q1101 WeakPolarHBondContact O-CG 3.33Å; R1097-Q1101 PolarHBondContact O-N 3.05Å; Y1098-Q1101 PolarHBondContact O-N 3.47Å; T1099-Q1101 VanDerWaalsContact C-N 3.35Å; T1099-Q1101 PolarHBondContact O-N 2.97Å; Q1101-A1104 PolarHBondContact O-N 3.05Å; Q1101-L1105 VanDerWaalsContact O-CG 3.22Å; Q1101-L1105 WeakPolarHBondContact O-CG 3.41Å; Q1101-L1105 PolarHBondContact O-N 3.41Å |
| 1102 | F | 85.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 176.7 | 170 | -98 | 0 | 0 | 0 | 112.5 | P1047 N1050 F1051 V1054 M1087 L1091 Y1098 T1099 A1104 L1105 I1106 F1135 | P1047-F1102 HydrophobicContact CB-CB 4.3Å; N1050-F1102 HydrophobicContact CB-CD2 3.92Å; N1050-F1102 HydrophobicContact CB-CE2 3.92Å; F1051-F1102 HydrophobicContact CB-CD2 4.13Å; F1051-F1102 HydrophobicContact CB-CE2 4.32Å; V1054-F1102 HydrophobicContact CG2-CE2 4.29Å; V1054-F1102 HydrophobicContact CG2-CZ 4.08Å; M1087-F1102 HydrophobicContact CE-CE2 4.32Å; M1087-F1102 HydrophobicContact CE-CZ 4.29Å; L1091-F1102 HydrophobicContact CD1-CD1 3.49Å; L1091-F1102 VanDerWaalsContact CD1-CD1 3.49Å; L1091-F1102 HydrophobicContact CD1-CE1 3.44Å; L1091-F1102 VanDerWaalsContact CD1-CE1 3.44Å; L1091-F1102 HydrophobicContact CD1-CG 4.08Å; L1091-F1102 HydrophobicContact CD1-CZ 4Å; L1091-F1102 HydrophobicContact CD2-CB 4.38Å; L1091-F1102 HydrophobicContact CD2-CD1 4.44Å; L1091-F1102 HydrophobicContact CD2-CG 4.24Å; Y1098-F1102 WeakPolarHBondContact O-CB 3.34Å; Y1098-F1102 PolarHBondContact O-N 3.04Å; T1099-F1102 PolarHBondContact O-N 2.7Å; F1102-A1104 VanDerWaalsContact C-N 3.33Å; F1102-A1104 PolarHBondContact O-N 2.93Å; F1102-L1105 WeakPolarHBondContact O-CB 3.37Å; F1102-L1105 PolarHBondContact O-N 3.06Å; F1102-I1106 HydrophobicContact CD1-CD1 4.14Å; F1102-I1106 HydrophobicContact CD2-CD1 4.49Å; F1102-I1106 HydrophobicContact CE1-CD1 3.45Å; F1102-I1106 VanDerWaalsContact CE1-CD1 3.45Å; F1102-I1106 HydrophobicContact CE2-CD1 3.85Å; F1102-I1106 HydrophobicContact CE2-CG1 4.43Å; F1102-I1106 HydrophobicContact CZ-CD1 3.3Å; F1102-I1106 HydrophobicContact CZ-CG1 4.32Å; F1102-I1106 PolarHBondContact O-N 3.37Å; F1102-F1135 AromaticContact CE1-CE1 3.75Å; F1102-F1135 HydrophobicContact CE1-CE1 3.75Å; F1102-F1135 HydrophobicContact CE1-CZ 4.13Å; F1102-F1135 AromaticContact CZ-CE1 3.89Å; F1102-F1135 HydrophobicContact CZ-CE1 3.89Å; F1102-F1135 HydrophobicContact CZ-CZ 4.03Å |
| 1103 | L | 83.8 | Confident | 82.3 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -39.6 | 176.7 | -68.5 | 174.3 | 0 | 0 | 0 | 111.9 | T1099 Q1100 L1105 I1106 G1107 L1136 Y1139 V1149 | T1099-L1103 HydrophobicContact CG2-CD1 4.29Å; T1099-L1103 WeakPolarHBondContact O-CG 3.27Å; T1099-L1103 PolarHBondContact O-N 3.45Å; Q1100-L1103 PolarHBondContact O-N 3Å; L1103-L1105 PolarHBondContact O-N 3.29Å; L1103-I1106 PolarHBondContact O-N 3.32Å; L1103-G1107 PolarHBondContact O-N 2.94Å; L1103-L1136 HydrophobicContact CD2-CD2 3.7Å; L1103-Y1139 HydrophobicContact CD1-CE1 4.27Å; L1103-Y1139 HydrophobicContact CD2-CD1 4.24Å; L1103-Y1139 HydrophobicContact CD2-CE1 4.21Å; L1103-V1149 HydrophobicContact CD1-CG1 4.18Å |
| 1104 | A | 83.2 | Confident | 81.8 | Confident | 16 Ų | 16 | 37.2 Ų | 37.2 | 13% | 0.132 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V926 Q1100 Q1101 F1102 G1107 Q1108 | V926-A1104 HydrophobicContact CG1-CB 3.52Å; Q1100-A1104 WeakPolarHBondContact O-CB 3.28Å; Q1100-A1104 PolarHBondContact O-N 2.91Å; Q1101-A1104 PolarHBondContact O-N 3.05Å; F1102-A1104 VanDerWaalsContact C-N 3.33Å; F1102-A1104 PolarHBondContact O-N 2.93Å; A1104-G1107 PolarHBondContact O-N 3.02Å; A1104-Q1108 WeakPolarHBondContact O-CB 3.26Å; A1104-Q1108 PolarHBondContact O-N 2.99Å |
| 1105 | L | 83 | Confident | 81.5 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 174.9 | -69.2 | 168 | 0 | 0 | 0 | 112.1 | V923 V926 P1047 I1048 F1051 Q1101 F1102 L1103 Q1108 F1109 | V923-L1105 HydrophobicContact CB-CD2 4.43Å; V923-L1105 HydrophobicContact CG1-CD2 3.34Å; V926-L1105 HydrophobicContact CG1-CD2 4.26Å; V926-L1105 HydrophobicContact CG1-CG 4.5Å; P1047-L1105 HydrophobicContact CB-CD1 4.17Å; I1048-L1105 HydrophobicContact CG1-CD1 4.28Å; F1051-L1105 HydrophobicContact CB-CB 4.32Å; F1051-L1105 HydrophobicContact CB-CD1 4.15Å; F1051-L1105 HydrophobicContact CD1-CB 4.46Å; F1051-L1105 HydrophobicContact CD2-CB 3.8Å; F1051-L1105 HydrophobicContact CE2-CB 4.25Å; F1051-L1105 WeakPolarHBondContact CE2-O 3.41Å; F1051-L1105 HydrophobicContact CG-CB 3.92Å; F1051-L1105 HydrophobicContact CG-CD1 4.41Å; Q1101-L1105 VanDerWaalsContact O-CG 3.22Å; Q1101-L1105 WeakPolarHBondContact O-CG 3.41Å; Q1101-L1105 PolarHBondContact O-N 3.41Å; F1102-L1105 WeakPolarHBondContact O-CB 3.37Å; F1102-L1105 PolarHBondContact O-N 3.06Å; L1103-L1105 PolarHBondContact O-N 3.29Å; L1105-Q1108 PolarHBondContact O-N 2.89Å; L1105-F1109 PolarHBondContact O-N 3.44Å |
| 1106 | I | 83.4 | Confident | 80.9 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.6 | -43.2 | 174.8 | -66.4 | -179.8 | 0 | 0 | 0 | 110.9 | F1051 F1102 L1103 Q1108 F1109 I1110 F1135 L1136 | F1051-I1106 HydrophobicContact CD2-CG1 3.81Å; F1051-I1106 HydrophobicContact CE2-CG1 4.26Å; F1102-I1106 HydrophobicContact CD1-CD1 4.14Å; F1102-I1106 HydrophobicContact CD2-CD1 4.49Å; F1102-I1106 HydrophobicContact CE1-CD1 3.45Å; F1102-I1106 VanDerWaalsContact CE1-CD1 3.45Å; F1102-I1106 HydrophobicContact CE2-CD1 3.85Å; F1102-I1106 HydrophobicContact CE2-CG1 4.43Å; F1102-I1106 HydrophobicContact CZ-CD1 3.3Å; F1102-I1106 HydrophobicContact CZ-CG1 4.32Å; F1102-I1106 PolarHBondContact O-N 3.37Å; L1103-I1106 PolarHBondContact O-N 3.32Å; I1106-Q1108 VanDerWaalsContact C-N 3.28Å; I1106-Q1108 PolarHBondContact O-N 3.29Å; I1106-F1109 WeakPolarHBondContact O-CB 3.19Å; I1106-F1109 PolarHBondContact O-N 3.42Å; I1106-F1109 VanDerWaalsContact O-N 3.16Å; I1106-I1110 HydrophobicContact CG2-CD1 4.03Å; I1106-I1110 PolarHBondContact O-N 2.83Å; I1106-F1135 HydrophobicContact CD1-CD1 3.92Å; I1106-F1135 HydrophobicContact CD1-CE1 3.84Å; I1106-L1136 HydrophobicContact CB-CD2 4.46Å; I1106-L1136 HydrophobicContact CG2-CD1 3.87Å; I1106-L1136 HydrophobicContact CG2-CD2 3.98Å; I1106-L1136 HydrophobicContact CG2-CG 3.91Å |
| 1107 | G | 82.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.4 | -36.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1103 A1104 R1111 | L1103-G1107 PolarHBondContact O-N 2.94Å; A1104-G1107 PolarHBondContact O-N 3.02Å; G1107-R1111 WeakPolarHBondContact O-CG 3.45Å; G1107-R1111 PolarHBondContact O-N 3.48Å; G1107-R1111 VanDerWaalsContact O-N 3.14Å; G1107-R1111 PolarHBondContact O-NE 3.05Å |
| 1108 | Q | 82.2 | Confident | 79.1 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.3 | -38.4 | 173.1 | -170.8 | 177 | 14.9 | 0 | 0 | 112.8 | V923 P925 V926 G928 V930 A1104 L1105 I1106 S1112 | V923-Q1108 PolarHBondContact O-NE2 3.22Å; V923-Q1108 PolarHBondContact O-OE1 2.79Å; P925-Q1108 PolarHBondContact O-NE2 3.34Å; V926-Q1108 PolarHBondContact O-OE1 3.12Å; G928-Q1108 VanDerWaalsContact O-CG 3.27Å; G928-Q1108 WeakPolarHBondContact O-CG 3.37Å; G928-Q1108 PolarHBondContact O-NE2 3.2Å; V930-Q1108 HydrophobicContact CG2-CG 4.35Å; A1104-Q1108 WeakPolarHBondContact O-CB 3.26Å; A1104-Q1108 PolarHBondContact O-N 2.99Å; L1105-Q1108 PolarHBondContact O-N 2.89Å; I1106-Q1108 VanDerWaalsContact C-N 3.28Å; I1106-Q1108 PolarHBondContact O-N 3.29Å; Q1108-S1112 VanDerWaalsContact O-CB 3.26Å; Q1108-S1112 WeakPolarHBondContact O-CB 3.43Å; Q1108-S1112 PolarHBondContact O-N 3.13Å; Q1108-S1112 PolarHBondContact O-OG 3.12Å |
| 1109 | F | 82.5 | Confident | 77.7 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.9 | -48.9 | 174.6 | 174 | -96.9 | 0 | 0 | 0 | 111.8 | Y937 F1051 V1055 L1058 L1105 I1106 S1112 I1113 A1132 | Y937-F1109 AromaticContact CD2-CD2 3.61Å; Y937-F1109 HydrophobicContact CD2-CD2 3.61Å; Y937-F1109 AromaticContact CD2-CE2 3.81Å; Y937-F1109 HydrophobicContact CD2-CE2 3.81Å; Y937-F1109 AromaticContact CE2-CD2 3.6Å; Y937-F1109 HydrophobicContact CE2-CD2 3.6Å; Y937-F1109 HydrophobicContact CE2-CE2 4.28Å; Y937-F1109 HydrophobicContact CG-CD2 4.34Å; Y937-F1109 HydrophobicContact CG-CE2 4.37Å; F1051-F1109 HydrophobicContact CE2-CB 3.74Å; F1051-F1109 HydrophobicContact CE2-CD2 4.42Å; F1051-F1109 HydrophobicContact CE2-CG 4.22Å; F1051-F1109 HydrophobicContact CZ-CB 3.85Å; F1051-F1109 HydrophobicContact CZ-CD2 4.03Å; F1051-F1109 HydrophobicContact CZ-CG 4.23Å; V1055-F1109 HydrophobicContact CG1-CE2 3.8Å; V1055-F1109 HydrophobicContact CG1-CZ 4.16Å; V1055-F1109 HydrophobicContact CG2-CD2 4.03Å; V1055-F1109 HydrophobicContact CG2-CE2 3.85Å; V1055-F1109 HydrophobicContact CG2-CG 4.5Å; V1055-F1109 HydrophobicContact CG2-CZ 4.18Å; L1058-F1109 HydrophobicContact CD1-CE1 4.02Å; L1058-F1109 HydrophobicContact CD1-CZ 4.29Å; L1105-F1109 PolarHBondContact O-N 3.44Å; I1106-F1109 WeakPolarHBondContact O-CB 3.19Å; I1106-F1109 PolarHBondContact O-N 3.42Å; I1106-F1109 VanDerWaalsContact O-N 3.16Å; F1109-S1112 PolarHBondContact O-N 2.88Å; F1109-I1113 HydrophobicContact CD1-CD1 4.06Å; F1109-I1113 HydrophobicContact CD2-CD1 3.74Å; F1109-I1113 HydrophobicContact CE1-CD1 3.6Å; F1109-I1113 HydrophobicContact CE2-CD1 3.25Å; F1109-I1113 HydrophobicContact CE2-CG1 4.44Å; F1109-I1113 HydrophobicContact CG-CD1 4.13Å; F1109-I1113 HydrophobicContact CZ-CD1 3.17Å; F1109-I1113 WeakPolarHBondContact O-CG1 3.47Å; F1109-I1113 PolarHBondContact O-N 3.41Å; F1109-A1132 HydrophobicContact CD1-CB 4.26Å; F1109-A1132 HydrophobicContact CE1-CB 4.2Å |
| 1110 | I | 79.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.8 | -51.2 | 178.3 | -68.2 | 161.6 | 0 | 0 | 0 | 110.6 | I1106 S1112 I1113 M1114 V1129 A1132 L1133 L1136 V1154 I1158 | I1106-I1110 HydrophobicContact CG2-CD1 4.03Å; I1106-I1110 PolarHBondContact O-N 2.83Å; I1110-S1112 VanDerWaalsContact C-N 3.32Å; I1110-S1112 PolarHBondContact O-N 3.38Å; I1110-I1113 PolarHBondContact O-N 3.2Å; I1110-M1114 HydrophobicContact CG2-CG 4.32Å; I1110-M1114 WeakPolarHBondContact O-CB 3.48Å; I1110-M1114 WeakPolarHBondContact O-CG 3.31Å; I1110-M1114 PolarHBondContact O-N 2.86Å; I1110-V1129 HydrophobicContact CG2-CG1 4.13Å; I1110-A1132 HydrophobicContact CD1-CB 4.13Å; I1110-A1132 HydrophobicContact CG1-CB 3.96Å; I1110-L1133 HydrophobicContact CD1-CD2 3.88Å; I1110-L1133 HydrophobicContact CD1-CG 4.22Å; I1110-L1133 HydrophobicContact CG2-CD2 4.24Å; I1110-L1136 HydrophobicContact CD1-CD1 3.51Å; I1110-V1154 HydrophobicContact CD1-CG2 4.07Å; I1110-V1154 HydrophobicContact CG2-CG1 4.24Å; I1110-I1158 HydrophobicContact CG2-CG2 4.28Å |
| 1111 | R | 81.4 | Confident | 74.4 | Confident | 62 Ų | 62 | 48 Ų | 48 | 23% | 0.234 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.8 | -42.8 | 178.6 | -71.2 | -179 | -67.9 | 150.5 | 5.2 | 112.1 | V926 Q927 G1107 E1115 H1153 | V926-R1111 PolarHBondContact O-NH2 2.87Å; V926-R1111 VanDerWaalsContact O-NH2 3.15Å; Q927-R1111 PolarHBondContact O-NH1 3.16Å; G1107-R1111 WeakPolarHBondContact O-CG 3.45Å; G1107-R1111 PolarHBondContact O-N 3.48Å; G1107-R1111 VanDerWaalsContact O-N 3.14Å; G1107-R1111 PolarHBondContact O-NE 3.05Å; R1111-E1115 WeakPolarHBondContact O-CB 3.41Å; R1111-E1115 PolarHBondContact O-N 3.02Å; R1111-E1115 VanDerWaalsContact O-N 3.13Å; R1111-H1153 PolarHBondContact NE-O 2.87Å |
| 1112 | S | 78.4 | Confident | 72.6 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.9 | -29 | -175.5 | -53.5 | 0 | 0 | 0 | 0 | 114.2 | V930 Q1108 F1109 I1110 Q1116 | V930-S1112 PolarHBondContact N-OG 3.39Å; Q1108-S1112 VanDerWaalsContact O-CB 3.26Å; Q1108-S1112 WeakPolarHBondContact O-CB 3.43Å; Q1108-S1112 PolarHBondContact O-N 3.13Å; Q1108-S1112 PolarHBondContact O-OG 3.12Å; F1109-S1112 PolarHBondContact O-N 2.88Å; I1110-S1112 VanDerWaalsContact C-N 3.32Å; I1110-S1112 PolarHBondContact O-N 3.38Å; S1112-Q1116 WeakPolarHBondContact O-CG 3.17Å |
| 1113 | I | 76.5 | Confident | 71.1 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -81.9 | -38.6 | 175 | -66.8 | 175.2 | 0 | 0 | 0 | 110.7 | A933 F1109 I1110 E1115 Q1116 C1117 P1126 V1129 | A933-I1113 HydrophobicContact CB-CG1 4.47Å; F1109-I1113 HydrophobicContact CD1-CD1 4.06Å; F1109-I1113 HydrophobicContact CD2-CD1 3.74Å; F1109-I1113 HydrophobicContact CE1-CD1 3.6Å; F1109-I1113 HydrophobicContact CE2-CD1 3.25Å; F1109-I1113 HydrophobicContact CE2-CG1 4.44Å; F1109-I1113 HydrophobicContact CG-CD1 4.13Å; F1109-I1113 HydrophobicContact CZ-CD1 3.17Å; F1109-I1113 WeakPolarHBondContact O-CG1 3.47Å; F1109-I1113 PolarHBondContact O-N 3.41Å; I1110-I1113 PolarHBondContact O-N 3.2Å; I1113-E1115 VanDerWaalsContact C-N 3.34Å; I1113-E1115 PolarHBondContact O-N 2.91Å; I1113-Q1116 WeakPolarHBondContact O-CB 3.39Å; I1113-Q1116 PolarHBondContact O-N 3.44Å; I1113-Q1116 VanDerWaalsContact O-N 3.13Å; I1113-C1117 PolarHBondContact O-N 3.44Å; I1113-C1117 PolarHBondContact O-SG 2.97Å; I1113-P1126 HydrophobicContact CG2-CG 4.14Å; I1113-V1129 HydrophobicContact CB-CG2 3.86Å; I1113-V1129 HydrophobicContact CD1-CG2 4.49Å; I1113-V1129 HydrophobicContact CG2-CG2 3.41Å; I1113-V1129 VanDerWaalsContact CG2-CG2 3.41Å |
| 1114 | M | 74.3 | Confident | 69.9 | Low | 27 Ų | 27 | 60.9 Ų | 60.9 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 177.5 | -70.2 | -80.6 | 76.1 | 0 | 0 | 112.6 | I1110 Q1116 C1117 T1118 M1125 P1126 V1129 | I1110-M1114 HydrophobicContact CG2-CG 4.32Å; I1110-M1114 WeakPolarHBondContact O-CB 3.48Å; I1110-M1114 WeakPolarHBondContact O-CG 3.31Å; I1110-M1114 PolarHBondContact O-N 2.86Å; M1114-Q1116 VanDerWaalsContact C-N 3.28Å; M1114-Q1116 PolarHBondContact O-N 3.24Å; M1114-C1117 HydrophobicContact CE-CB 4.17Å; M1114-C1117 PolarHBondContact O-N 2.88Å; M1114-C1117 VanDerWaalsContact O-N 3.12Å; M1114-T1118 PolarHBondContact O-N 3.48Å; M1114-T1118 VanDerWaalsContact O-N 3.15Å; M1114-T1118 PolarHBondContact O-OG1 2.72Å; M1114-M1125 HydrophobicContact CE-CB 4.49Å; M1114-M1125 HydrophobicContact CE-CG 4.21Å; M1114-M1125 HydrophobicContact SD-CE 4.46Å; M1114-M1125 HydrophobicContact SD-CG 4.18Å; M1114-P1126 VanDerWaalsContact CE-CD 3.42Å; M1114-P1126 HydrophobicContact CE-CG 4.42Å; M1114-V1129 HydrophobicContact CE-CB 4.44Å; M1114-V1129 HydrophobicContact CE-CG1 4.18Å; M1114-V1129 HydrophobicContact CE-CG2 4.23Å; M1114-V1129 HydrophobicContact CG-CG1 4.05Å; M1114-V1129 HydrophobicContact SD-CG1 3.94Å |
| 1115 | E | 75.6 | Confident | 69.2 | Low | 117 Ų | 117 | 61.7 Ų | 61.7 | 55% | 0.547 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.9 | -34.4 | 173.9 | -170.1 | 68.1 | -169.4 | 0 | 0 | 112.5 | I929 R1111 I1113 C1117 T1118 | I929-E1115 HydrophobicContact CD1-CG 4.35Å; R1111-E1115 WeakPolarHBondContact O-CB 3.41Å; R1111-E1115 PolarHBondContact O-N 3.02Å; R1111-E1115 VanDerWaalsContact O-N 3.13Å; I1113-E1115 VanDerWaalsContact C-N 3.34Å; I1113-E1115 PolarHBondContact O-N 2.91Å; E1115-C1117 VanDerWaalsContact C-N 3.33Å; E1115-T1118 WeakPolarHBondContact CA-OG1 3.08Å; E1115-T1118 PolarHBondContact O-OG1 3.43Å |
| 1116 | Q | 69.8 | Low | 68.8 | Low | 55 Ų | 55 | 63 Ų | 63 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.3 | -32.1 | 176.2 | -71.8 | 172.3 | 17.1 | 0 | 0 | 111.9 | S934 S1112 I1113 M1114 S1119 | S934-Q1116 PolarHBondContact OG-OE1 2.81Å; S934-Q1116 VanDerWaalsContact OG-OE1 3.07Å; S1112-Q1116 WeakPolarHBondContact O-CG 3.17Å; I1113-Q1116 WeakPolarHBondContact O-CB 3.39Å; I1113-Q1116 PolarHBondContact O-N 3.44Å; I1113-Q1116 VanDerWaalsContact O-N 3.13Å; M1114-Q1116 VanDerWaalsContact C-N 3.28Å; M1114-Q1116 PolarHBondContact O-N 3.24Å; Q1116-S1119 PolarHBondContact O-OG 3.42Å |
| 1117 | C | 66 | Low | 68.2 | Low | 26 Ų | 26 | 64.8 Ų | 64.8 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -78.8 | -23.3 | -179.6 | -68.4 | 0 | 0 | 0 | 0 | 113.6 | I1113 M1114 E1115 S1119 Q1120 P1126 | I1113-C1117 PolarHBondContact O-N 3.44Å; I1113-C1117 PolarHBondContact O-SG 2.97Å; M1114-C1117 HydrophobicContact CE-CB 4.17Å; M1114-C1117 PolarHBondContact O-N 2.88Å; M1114-C1117 VanDerWaalsContact O-N 3.12Å; E1115-C1117 VanDerWaalsContact C-N 3.33Å; C1117-S1119 PolarHBondContact O-N 3.22Å; C1117-Q1120 PolarHBondContact O-N 3.07Å; C1117-Q1120 VanDerWaalsContact O-N 3.13Å; C1117-P1126 WeakPolarHBondContact SG-CG 3.46Å |
| 1118 | T | 61.1 | Low | 67.8 | Low | 103 Ų | 103 | 67 Ų | 67 | 63% | 0.632 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -12.3 | 178.5 | -20.7 | 0 | 0 | 0 | 0 | 113.2 | M1114 E1115 Q1120 | M1114-T1118 PolarHBondContact O-N 3.48Å; M1114-T1118 VanDerWaalsContact O-N 3.15Å; M1114-T1118 PolarHBondContact O-OG1 2.72Å; E1115-T1118 WeakPolarHBondContact CA-OG1 3.08Å; E1115-T1118 PolarHBondContact O-OG1 3.43Å; T1118-Q1120 VanDerWaalsContact C-N 3.28Å; T1118-Q1120 PolarHBondContact O-N 3.2Å |
| 1119 | S | 54.3 | Low | 67.6 | Low | 105 Ų | 105 | 66.9 Ų | 66.9 | 73% | 0.734 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -11 | 174.2 | -29 | 0 | 0 | 0 | 0 | 114.9 | Q1116 C1117 | Q1116-S1119 PolarHBondContact O-OG 3.42Å; C1117-S1119 PolarHBondContact O-N 3.22Å |
| 1120 | Q | 51.8 | Low | 67.3 | Low | 142 Ų | 142 | 67.1 Ų | 67.1 | 66% | 0.664 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -108.6 | 143.4 | -173.1 | -64 | -175.6 | -3.9 | 0 | 0 | 112.3 | C1117 T1118 I1122 | C1117-Q1120 PolarHBondContact O-N 3.07Å; C1117-Q1120 VanDerWaalsContact O-N 3.13Å; T1118-Q1120 VanDerWaalsContact C-N 3.28Å; T1118-Q1120 PolarHBondContact O-N 3.2Å; Q1120-I1122 PolarHBondContact O-N 2.98Å; Q1120-I1122 VanDerWaalsContact O-N 3.13Å |
| 1121 | K | 45 | Very low | 67.2 | Low | 221 Ų | 221 | 67.1 Ų | 67.1 | 96% | 0.961 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -67.2 | -9.6 | -172.7 | -80.9 | -176.8 | 175.3 | -179.7 | 0 | 115.5 | ||
| 1122 | I | 44.7 | Very low | 67.2 | Low | 130 Ų | 130 | 64.3 Ų | 64.3 | 67% | 0.667 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -138.2 | 113.4 | 172.5 | -56.8 | 171.1 | 0 | 0 | 0 | 106.4 | Q1120 D1124 | Q1120-I1122 PolarHBondContact O-N 2.98Å; Q1120-I1122 VanDerWaalsContact O-N 3.13Å; I1122-D1124 PolarHBondContact O-N 3.04Å; I1122-D1124 VanDerWaalsContact O-N 3.07Å |
| 1123 | P | 54.1 | Low | 67.3 | Low | 101 Ų | 101 | 64.3 Ų | 64.3 | 66% | 0.656 | 35% | 0.346 | S | S | * | . | trans | -81.4 | 84.2 | -177.9 | 31 | -31.8 | 0 | 0 | 0 | 110.6 | ||||
| 1124 | D | 58.9 | Low | 67.4 | Low | 129 Ų | 129 | 64.2 Ų | 64.2 | 69% | 0.69 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -77 | 122.7 | 162.2 | -90.5 | -22.3 | 0 | 0 | 0 | 108.9 | I1122 P1126 | I1122-D1124 PolarHBondContact O-N 3.04Å; I1122-D1124 VanDerWaalsContact O-N 3.07Å; D1124-P1126 WeakPolarHBondContact O-CD 3.47Å |
| 1125 | M | 67.6 | Low | 67.8 | Low | 33 Ų | 33 | 63.1 Ų | 63.1 | 16% | 0.163 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -66 | 123.7 | 176 | -73.3 | -175.3 | 176.5 | 0 | 0 | 109.9 | M1114 S1127 V1130 E1161 F1162 | M1114-M1125 HydrophobicContact CE-CB 4.49Å; M1114-M1125 HydrophobicContact CE-CG 4.21Å; M1114-M1125 HydrophobicContact SD-CE 4.46Å; M1114-M1125 HydrophobicContact SD-CG 4.18Å; M1125-S1127 PolarHBondContact O-N 2.88Å; M1125-V1130 HydrophobicContact CB-CG2 4.06Å; M1125-E1161 HydrophobicContact CE-CB 4.34Å; M1125-F1162 HydrophobicContact CE-CB 4.36Å; M1125-F1162 HydrophobicContact SD-CB 3.95Å; M1125-F1162 HydrophobicContact SD-CD2 3.77Å; M1125-F1162 HydrophobicContact SD-CG 4.32Å |
| 1126 | P | 74.1 | Confident | 68.1 | Low | 39 Ų | 39 | 57.7 Ų | 57.7 | 25% | 0.253 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 141.5 | 177.3 | -23.4 | 33.3 | 0 | 0 | 0 | 111.4 | I1113 M1114 C1117 D1124 D1128 V1129 V1130 | I1113-P1126 HydrophobicContact CG2-CG 4.14Å; M1114-P1126 VanDerWaalsContact CE-CD 3.42Å; M1114-P1126 HydrophobicContact CE-CG 4.42Å; C1117-P1126 WeakPolarHBondContact SG-CG 3.46Å; D1124-P1126 WeakPolarHBondContact O-CD 3.47Å; P1126-D1128 PolarHBondContact O-N 3.49Å; P1126-V1129 HydrophobicContact CB-CG2 4.26Å; P1126-V1129 HydrophobicContact CG-CG2 4.28Å; P1126-V1129 WeakPolarHBondContact O-CA 3.38Å; P1126-V1129 WeakPolarHBondContact O-CB 3.38Å; P1126-V1129 PolarHBondContact O-N 2.77Å; P1126-V1130 WeakPolarHBondContact O-CG2 3.42Å; P1126-V1130 PolarHBondContact O-N 2.72Å |
| 1127 | S | 71.8 | Confident | 68.7 | Low | 43 Ų | 43 | 56.9 Ų | 56.9 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -50.6 | -30.2 | 178.2 | 56.4 | 0 | 0 | 0 | 0 | 114.9 | R1072 M1125 V1130 G1131 | R1072-S1127 PolarHBondContact NH2-OG 2.95Å; M1125-S1127 PolarHBondContact O-N 2.88Å; S1127-V1130 WeakPolarHBondContact O-CB 3.41Å; S1127-G1131 PolarHBondContact O-N 2.99Å |
| 1128 | D | 74.5 | Confident | 69.4 | Low | 45 Ų | 45 | 56.6 Ų | 56.6 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -76.7 | -32.4 | -178.5 | -57 | -7.9 | 0 | 0 | 0 | 110.5 | L1058 P1126 A1132 | L1058-D1128 HydrophobicContact CB-CB 4.29Å; P1126-D1128 PolarHBondContact O-N 3.49Å; D1128-A1132 WeakPolarHBondContact O-CB 3.23Å; D1128-A1132 PolarHBondContact O-N 2.85Å |
| 1129 | V | 76.9 | Confident | 70.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.6 | -43.4 | 173.2 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | I1110 I1113 M1114 P1126 G1131 A1132 L1133 | I1110-V1129 HydrophobicContact CG2-CG1 4.13Å; I1113-V1129 HydrophobicContact CB-CG2 3.86Å; I1113-V1129 HydrophobicContact CD1-CG2 4.49Å; I1113-V1129 HydrophobicContact CG2-CG2 3.41Å; I1113-V1129 VanDerWaalsContact CG2-CG2 3.41Å; M1114-V1129 HydrophobicContact CE-CB 4.44Å; M1114-V1129 HydrophobicContact CE-CG1 4.18Å; M1114-V1129 HydrophobicContact CE-CG2 4.23Å; M1114-V1129 HydrophobicContact CG-CG1 4.05Å; M1114-V1129 HydrophobicContact SD-CG1 3.94Å; P1126-V1129 HydrophobicContact CB-CG2 4.26Å; P1126-V1129 HydrophobicContact CG-CG2 4.28Å; P1126-V1129 WeakPolarHBondContact O-CA 3.38Å; P1126-V1129 WeakPolarHBondContact O-CB 3.38Å; P1126-V1129 PolarHBondContact O-N 2.77Å; V1129-G1131 VanDerWaalsContact C-N 3.32Å; V1129-G1131 PolarHBondContact O-N 3.38Å; V1129-A1132 PolarHBondContact O-N 3.1Å; V1129-L1133 HydrophobicContact CG1-CD1 3.96Å; V1129-L1133 HydrophobicContact CG1-CG 4.39Å; V1129-L1133 WeakPolarHBondContact O-CB 3.47Å; V1129-L1133 WeakPolarHBondContact O-CG 3.44Å; V1129-L1133 PolarHBondContact O-N 2.98Å |
| 1130 | V | 77.3 | Confident | 71.6 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 7% | 0.073 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -51.4 | -51.4 | 170.5 | 162.3 | 0 | 0 | 0 | 0 | 110.6 | M1125 P1126 S1127 A1132 L1133 M1134 F1162 L1166 | M1125-V1130 HydrophobicContact CB-CG2 4.06Å; P1126-V1130 WeakPolarHBondContact O-CG2 3.42Å; P1126-V1130 PolarHBondContact O-N 2.72Å; S1127-V1130 WeakPolarHBondContact O-CB 3.41Å; V1130-A1132 PolarHBondContact O-N 3.31Å; V1130-L1133 PolarHBondContact O-N 3.2Å; V1130-M1134 WeakPolarHBondContact O-CG 3.47Å; V1130-M1134 PolarHBondContact O-N 2.87Å; V1130-F1162 VanDerWaalsContact CA-CZ 3.46Å; V1130-F1162 HydrophobicContact CB-CD2 4.42Å; V1130-F1162 HydrophobicContact CB-CE2 3.39Å; V1130-F1162 HydrophobicContact CB-CZ 3.71Å; V1130-F1162 HydrophobicContact CG1-CE2 3.38Å; V1130-F1162 HydrophobicContact CG1-CZ 3.38Å; V1130-F1162 HydrophobicContact CG2-CD2 4.02Å; V1130-F1162 HydrophobicContact CG2-CE2 3.3Å; V1130-F1162 HydrophobicContact CG2-CZ 4.16Å; V1130-F1162 VanDerWaalsContact O-CZ 3.23Å; V1130-F1162 WeakPolarHBondContact O-CZ 3.44Å; V1130-L1166 HydrophobicContact CG1-CD2 4.28Å |
| 1131 | G | 77.5 | Confident | 73 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.4 | -36.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1058 W1080 S1127 V1129 F1135 | L1058-G1131 VanDerWaalsContact CD2-C 3.5Å; W1080-G1131 WeakPolarHBondContact CH2-O 3.45Å; S1127-G1131 PolarHBondContact O-N 2.99Å; V1129-G1131 VanDerWaalsContact C-N 3.32Å; V1129-G1131 PolarHBondContact O-N 3.38Å; G1131-F1135 WeakPolarHBondContact O-CB 3.41Å; G1131-F1135 PolarHBondContact O-N 2.81Å |
| 1132 | A | 80.1 | Confident | 74.6 | Confident | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.7 | -37.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1058 F1109 I1110 D1128 V1129 V1130 F1135 L1136 | L1058-A1132 HydrophobicContact CD1-CB 4.06Å; F1109-A1132 HydrophobicContact CD1-CB 4.26Å; F1109-A1132 HydrophobicContact CE1-CB 4.2Å; I1110-A1132 HydrophobicContact CD1-CB 4.13Å; I1110-A1132 HydrophobicContact CG1-CB 3.96Å; D1128-A1132 WeakPolarHBondContact O-CB 3.23Å; D1128-A1132 PolarHBondContact O-N 2.85Å; V1129-A1132 PolarHBondContact O-N 3.1Å; V1130-A1132 PolarHBondContact O-N 3.31Å; A1132-F1135 WeakPolarHBondContact O-CB 3.04Å; A1132-F1135 PolarHBondContact O-N 2.92Å; A1132-L1136 WeakPolarHBondContact O-CG 3.45Å; A1132-L1136 PolarHBondContact O-N 3.18Å; A1132-L1136 VanDerWaalsContact O-N 3.12Å |
| 1133 | L | 80.5 | Confident | 75.9 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.5 | -43.6 | 174.2 | -73.1 | 169 | 0 | 0 | 0 | 111.2 | I1110 V1129 V1130 F1135 L1136 E1137 V1154 I1158 F1159 F1162 | I1110-L1133 HydrophobicContact CD1-CD2 3.88Å; I1110-L1133 HydrophobicContact CD1-CG 4.22Å; I1110-L1133 HydrophobicContact CG2-CD2 4.24Å; V1129-L1133 HydrophobicContact CG1-CD1 3.96Å; V1129-L1133 HydrophobicContact CG1-CG 4.39Å; V1129-L1133 WeakPolarHBondContact O-CB 3.47Å; V1129-L1133 WeakPolarHBondContact O-CG 3.44Å; V1129-L1133 PolarHBondContact O-N 2.98Å; V1130-L1133 PolarHBondContact O-N 3.2Å; L1133-F1135 VanDerWaalsContact C-N 3.32Å; L1133-F1135 PolarHBondContact O-N 3.14Å; L1133-L1136 PolarHBondContact O-N 3.02Å; L1133-E1137 PolarHBondContact O-N 3.21Å; L1133-V1154 HydrophobicContact CD2-CG1 4.33Å; L1133-I1158 HydrophobicContact CD1-CG2 4.11Å; L1133-I1158 HydrophobicContact CD2-CG2 4.36Å; L1133-F1159 HydrophobicContact CD2-CD2 3.91Å; L1133-F1159 HydrophobicContact CD2-CE2 4.5Å; L1133-F1162 HydrophobicContact CB-CD1 3.73Å; L1133-F1162 HydrophobicContact CB-CE1 3.82Å; L1133-F1162 HydrophobicContact CB-CG 4.25Å; L1133-F1162 HydrophobicContact CB-CZ 4.44Å; L1133-F1162 HydrophobicContact CD1-CB 3.81Å; L1133-F1162 HydrophobicContact CD1-CD1 4.04Å; L1133-F1162 HydrophobicContact CD1-CD2 4.1Å; L1133-F1162 HydrophobicContact CD1-CG 3.69Å |
| 1134 | M | 79.1 | Confident | 76.9 | Confident | 17 Ų | 17 | 35 Ų | 35 | 8% | 0.084 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.3 | -41.6 | 171.8 | -72.2 | -59.9 | -58.3 | 0 | 0 | 111.9 | Y1063 M1069 W1080 V1130 L1136 E1137 D1138 F1162 | Y1063-M1134 HydrophobicContact CD2-CE 4.34Å; Y1063-M1134 HydrophobicContact CD2-CG 4.18Å; Y1063-M1134 HydrophobicContact CD2-SD 4.14Å; Y1063-M1134 HydrophobicContact CE2-CE 3.88Å; Y1063-M1134 HydrophobicContact CE2-CG 4.46Å; Y1063-M1134 HydrophobicContact CE2-SD 3.81Å; M1069-M1134 HydrophobicContact CG-CB 4Å; M1069-M1134 HydrophobicContact CG-CG 4Å; M1069-M1134 HydrophobicContact SD-CB 4.46Å; M1069-M1134 HydrophobicContact SD-CG 4.15Å; W1080-M1134 HydrophobicContact CZ2-CB 3.93Å; V1130-M1134 WeakPolarHBondContact O-CG 3.47Å; V1130-M1134 PolarHBondContact O-N 2.87Å; M1134-L1136 VanDerWaalsContact C-N 3.35Å; M1134-L1136 PolarHBondContact O-N 3.16Å; M1134-E1137 PolarHBondContact O-N 3.11Å; M1134-D1138 WeakPolarHBondContact O-CB 3.35Å; M1134-D1138 PolarHBondContact O-N 3.48Å; M1134-F1162 HydrophobicContact CG-CE1 3.7Å; M1134-F1162 HydrophobicContact CG-CZ 3.78Å; M1134-F1162 HydrophobicContact SD-CE1 3.66Å; M1134-F1162 HydrophobicContact SD-CZ 4.13Å |
| 1135 | F | 83.3 | Confident | 77.7 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 1% | 0.013 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59 | -46.2 | 176.4 | -178.4 | -91.5 | 0 | 0 | 0 | 111.4 | V1054 W1080 V1084 M1087 F1102 I1106 G1131 A1132 L1133 Y1139 | V1054-F1135 HydrophobicContact CG2-CE2 4.43Å; V1054-F1135 HydrophobicContact CG2-CZ 4.47Å; W1080-F1135 HydrophobicContact CH2-CB 3.74Å; W1080-F1135 HydrophobicContact CH2-CD2 4.24Å; W1080-F1135 HydrophobicContact CZ2-CB 4.12Å; V1084-F1135 HydrophobicContact CB-CE2 4.5Å; V1084-F1135 HydrophobicContact CG1-CD2 4.48Å; V1084-F1135 HydrophobicContact CG1-CE2 4.33Å; V1084-F1135 HydrophobicContact CG2-CD2 3.92Å; V1084-F1135 HydrophobicContact CG2-CE2 4.24Å; M1087-F1135 HydrophobicContact CB-CE2 4.33Å; M1087-F1135 HydrophobicContact CB-CZ 4.29Å; F1102-F1135 AromaticContact CE1-CE1 3.75Å; F1102-F1135 HydrophobicContact CE1-CE1 3.75Å; F1102-F1135 HydrophobicContact CE1-CZ 4.13Å; F1102-F1135 AromaticContact CZ-CE1 3.89Å; F1102-F1135 HydrophobicContact CZ-CE1 3.89Å; F1102-F1135 HydrophobicContact CZ-CZ 4.03Å; I1106-F1135 HydrophobicContact CD1-CD1 3.92Å; I1106-F1135 HydrophobicContact CD1-CE1 3.84Å; G1131-F1135 WeakPolarHBondContact O-CB 3.41Å; G1131-F1135 PolarHBondContact O-N 2.81Å; A1132-F1135 WeakPolarHBondContact O-CB 3.04Å; A1132-F1135 PolarHBondContact O-N 2.92Å; L1133-F1135 VanDerWaalsContact C-N 3.32Å; L1133-F1135 PolarHBondContact O-N 3.14Å; F1135-Y1139 HydrophobicContact CE1-CD2 4.02Å; F1135-Y1139 HydrophobicContact CZ-CD2 4.24Å; F1135-Y1139 WeakPolarHBondContact O-CB 3.46Å; F1135-Y1139 PolarHBondContact O-N 3.44Å |
| 1136 | L | 81.7 | Confident | 78 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.5 | -37.8 | 178.8 | -71.6 | 176.5 | 0 | 0 | 0 | 112.1 | L1103 I1106 I1110 A1132 L1133 M1134 Y1139 V1140 V1150 V1154 F1159 | L1103-L1136 HydrophobicContact CD2-CD2 3.7Å; I1106-L1136 HydrophobicContact CB-CD2 4.46Å; I1106-L1136 HydrophobicContact CG2-CD1 3.87Å; I1106-L1136 HydrophobicContact CG2-CD2 3.98Å; I1106-L1136 HydrophobicContact CG2-CG 3.91Å; I1110-L1136 HydrophobicContact CD1-CD1 3.51Å; A1132-L1136 WeakPolarHBondContact O-CG 3.45Å; A1132-L1136 PolarHBondContact O-N 3.18Å; A1132-L1136 VanDerWaalsContact O-N 3.12Å; L1133-L1136 PolarHBondContact O-N 3.02Å; M1134-L1136 VanDerWaalsContact C-N 3.35Å; M1134-L1136 PolarHBondContact O-N 3.16Å; L1136-Y1139 PolarHBondContact O-N 3.37Å; L1136-V1140 VanDerWaalsContact O-CG2 3.31Å; L1136-V1140 WeakPolarHBondContact O-CG2 3.23Å; L1136-V1140 PolarHBondContact O-N 3.06Å; L1136-V1150 HydrophobicContact CB-CG1 4.21Å; L1136-V1150 HydrophobicContact CD1-CG1 4.05Å; L1136-V1154 HydrophobicContact CD1-CG2 4.02Å; L1136-F1159 HydrophobicContact CB-CE2 4.25Å |
| 1137 | E | 81.6 | Confident | 78 | Confident | 39 Ų | 39 | 36.9 Ų | 36.9 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.2 | -50.5 | 175.6 | -179.3 | 163.3 | -133.4 | 0 | 0 | 111.8 | L1133 M1134 Y1139 V1140 K1141 F1159 R1163 | L1133-E1137 PolarHBondContact O-N 3.21Å; M1134-E1137 PolarHBondContact O-N 3.11Å; E1137-Y1139 VanDerWaalsContact C-N 3.29Å; E1137-Y1139 PolarHBondContact O-N 2.96Å; E1137-V1140 PolarHBondContact O-N 3.25Å; E1137-K1141 WeakPolarHBondContact O-CB 3.29Å; E1137-K1141 PolarHBondContact O-N 3.44Å; E1137-F1159 HydrophobicContact CB-CZ 3.88Å; E1137-F1159 HydrophobicContact CG-CZ 4.43Å; E1137-R1163 IonicContact OE1-CZ 2.96Å; E1137-R1163 IonicContact OE1-NE 3.73Å; E1137-R1163 PolarHBondContact OE1-NE 3.12Å; E1137-R1163 IonicContact OE1-NH1 2.85Å; E1137-R1163 IonicContact OE1-NH2 3.09Å; E1137-R1163 PolarHBondContact OE1-NH2 3.22Å; E1137-R1163 IonicContact OE2-CZ 2.96Å; E1137-R1163 IonicContact OE2-NE 2.73Å; E1137-R1163 PolarHBondContact OE2-NE 3Å; E1137-R1163 IonicContact OE2-NH2 3.92Å; E1137-R1163 PolarHBondContact OE2-NH2 3.01Å |
| 1138 | D | 80.6 | Confident | 78.1 | Confident | 19 Ų | 19 | 42.3 Ų | 42.3 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -36.8 | 177 | -73.4 | -26.9 | 0 | 0 | 0 | 111.1 | W1080 V1084 M1134 V1140 K1141 Y1142 | W1080-D1138 PolarHBondContact NE1-OD2 2.87Å; V1084-D1138 HydrophobicContact CG1-CB 4.05Å; M1134-D1138 WeakPolarHBondContact O-CB 3.35Å; M1134-D1138 PolarHBondContact O-N 3.48Å; D1138-V1140 PolarHBondContact O-N 3.13Å; D1138-K1141 PolarHBondContact O-N 2.8Å; D1138-Y1142 HydrophobicContact CB-CD2 4.12Å; D1138-Y1142 HydrophobicContact CB-CE2 4.02Å; D1138-Y1142 WeakPolarHBondContact O-CB 3.29Å; D1138-Y1142 WeakPolarHBondContact O-CD2 3.29Å; D1138-Y1142 PolarHBondContact O-N 3.2Å |
| 1139 | Y | 80.7 | Confident | 78.1 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 2% | 0.02 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.4 | -47.2 | 173.2 | -172 | -76.6 | 0 | 0 | 0 | 111.4 | L1088 L1091 T1099 L1103 F1135 L1136 E1137 T1143 L1145 | L1088-Y1139 HydrophobicContact CD2-CD1 4.26Å; L1088-Y1139 HydrophobicContact CD2-CD2 3.23Å; L1088-Y1139 HydrophobicContact CD2-CE1 4.18Å; L1088-Y1139 HydrophobicContact CD2-CE2 3.15Å; L1088-Y1139 HydrophobicContact CD2-CG 3.78Å; L1088-Y1139 HydrophobicContact CG-CD2 3.85Å; L1088-Y1139 HydrophobicContact CG-CE2 4.02Å; L1091-Y1139 HydrophobicContact CD1-CE2 4.17Å; T1099-Y1139 WeakPolarHBondContact CG2-OH 3.45Å; L1103-Y1139 HydrophobicContact CD1-CE1 4.27Å; L1103-Y1139 HydrophobicContact CD2-CD1 4.24Å; L1103-Y1139 HydrophobicContact CD2-CE1 4.21Å; F1135-Y1139 HydrophobicContact CE1-CD2 4.02Å; F1135-Y1139 HydrophobicContact CZ-CD2 4.24Å; F1135-Y1139 WeakPolarHBondContact O-CB 3.46Å; F1135-Y1139 PolarHBondContact O-N 3.44Å; L1136-Y1139 PolarHBondContact O-N 3.37Å; E1137-Y1139 VanDerWaalsContact C-N 3.29Å; E1137-Y1139 PolarHBondContact O-N 2.96Å; Y1139-T1143 HydrophobicContact CD1-CG2 4.2Å; Y1139-T1143 HydrophobicContact CE1-CG2 3.88Å; Y1139-T1143 VanDerWaalsContact O-CB 3.32Å; Y1139-T1143 WeakPolarHBondContact O-CB 3.35Å; Y1139-T1143 VanDerWaalsContact O-CG2 3.24Å; Y1139-T1143 WeakPolarHBondContact O-CG2 3.41Å; Y1139-T1143 PolarHBondContact O-N 3.09Å; Y1139-T1143 PolarHBondContact O-OG1 3.05Å; Y1139-L1145 HydrophobicContact CE1-CD1 4.2Å |
| 1140 | V | 80.8 | Confident | 77.9 | Confident | 21 Ų | 21 | 43.1 Ų | 43.1 | 13% | 0.127 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.4 | -44 | 177.2 | 174.2 | 0 | 0 | 0 | 0 | 111 | L1136 E1137 D1138 T1143 K1144 L1145 V1150 | L1136-V1140 VanDerWaalsContact O-CG2 3.31Å; L1136-V1140 WeakPolarHBondContact O-CG2 3.23Å; L1136-V1140 PolarHBondContact O-N 3.06Å; E1137-V1140 PolarHBondContact O-N 3.25Å; D1138-V1140 PolarHBondContact O-N 3.13Å; V1140-T1143 PolarHBondContact O-N 3.44Å; V1140-T1143 PolarHBondContact O-OG1 2.82Å; V1140-K1144 PolarHBondContact O-N 2.73Å; V1140-L1145 VanDerWaalsContact CG1-O 3.28Å; V1140-L1145 WeakPolarHBondContact CG1-O 3.39Å; V1140-L1145 PolarHBondContact O-N 3.19Å; V1140-V1150 HydrophobicContact CG2-CB 4.32Å; V1140-V1150 HydrophobicContact CG2-CG2 3.29Å |
| 1141 | K | 81.4 | Confident | 77.8 | Confident | 116 Ų | 116 | 46 Ų | 46 | 50% | 0.504 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.1 | -52 | 178.3 | -174.5 | -170 | 177.6 | -165.9 | 0 | 111.5 | D848 E1137 D1138 K1144 | D848-K1141 IonicContact OD2-NZ 2.83Å; D848-K1141 PolarHBondContact OD2-NZ 3.12Å; E1137-K1141 WeakPolarHBondContact O-CB 3.29Å; E1137-K1141 PolarHBondContact O-N 3.44Å; D1138-K1141 PolarHBondContact O-N 2.8Å; K1141-K1144 PolarHBondContact O-N 2.96Å |
| 1142 | Y | 79.2 | Confident | 77.7 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 7% | 0.071 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -74 | -29.2 | -177 | -71.3 | -59.4 | 0 | 0 | 0 | 113.4 | D848 L1033 V1084 L1085 L1088 D1138 | D848-Y1142 PolarHBondContact OD1-OH 3.37Å; D848-Y1142 PolarHBondContact OD2-OH 3.13Å; L1033-Y1142 HydrophobicContact CD1-CD1 4.39Å; V1084-Y1142 HydrophobicContact CG1-CD2 4.18Å; V1084-Y1142 HydrophobicContact CG1-CE2 4.41Å; L1085-Y1142 HydrophobicContact CD2-CD1 3.76Å; L1085-Y1142 HydrophobicContact CD2-CD2 3.83Å; L1085-Y1142 HydrophobicContact CD2-CE1 4.14Å; L1085-Y1142 HydrophobicContact CD2-CE2 4.2Å; L1085-Y1142 HydrophobicContact CD2-CG 3.61Å; L1085-Y1142 HydrophobicContact CG-CD2 4.48Å; L1085-Y1142 HydrophobicContact CG-CE2 4.43Å; L1088-Y1142 HydrophobicContact CD1-CD2 4.15Å; L1088-Y1142 HydrophobicContact CD1-CG 4.31Å; D1138-Y1142 HydrophobicContact CB-CD2 4.12Å; D1138-Y1142 HydrophobicContact CB-CE2 4.02Å; D1138-Y1142 WeakPolarHBondContact O-CB 3.29Å; D1138-Y1142 WeakPolarHBondContact O-CD2 3.29Å; D1138-Y1142 PolarHBondContact O-N 3.2Å |
| 1143 | T | 72.4 | Confident | 77.5 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 8% | 0.08 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -85.5 | -10.1 | 177.4 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | L1088 Y1139 V1140 L1145 | L1088-T1143 HydrophobicContact CD2-CG2 3.33Å; Y1139-T1143 HydrophobicContact CD1-CG2 4.2Å; Y1139-T1143 HydrophobicContact CE1-CG2 3.88Å; Y1139-T1143 VanDerWaalsContact O-CB 3.32Å; Y1139-T1143 WeakPolarHBondContact O-CB 3.35Å; Y1139-T1143 VanDerWaalsContact O-CG2 3.24Å; Y1139-T1143 WeakPolarHBondContact O-CG2 3.41Å; Y1139-T1143 PolarHBondContact O-N 3.09Å; Y1139-T1143 PolarHBondContact O-OG1 3.05Å; V1140-T1143 PolarHBondContact O-N 3.44Å; V1140-T1143 PolarHBondContact O-OG1 2.82Å; T1143-L1145 HydrophobicContact CG2-CD1 4.45Å; T1143-L1145 PolarHBondContact O-N 3.15Å; T1143-L1145 WeakPolarHBondContact OG1-CD1 3.48Å; T1143-L1145 WeakPolarHBondContact OG1-CG 3.46Å |
| 1144 | K | 74.6 | Confident | 77.3 | Confident | 177 Ų | 177 | 52.3 Ų | 52.3 | 77% | 0.77 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 26.6 | -171.7 | -57.2 | -177.5 | 179.2 | -179.9 | 0 | 112.9 | V1140 K1141 | V1140-K1144 PolarHBondContact O-N 2.73Å; K1141-K1144 PolarHBondContact O-N 2.96Å |
| 1145 | L | 75.4 | Confident | 77.1 | Confident | 79 Ų | 79 | 54.5 Ų | 54.5 | 41% | 0.414 | 28% | 0.278 | S | S | . | . | trans | -75.3 | 157.3 | 176.8 | -72.4 | 173.2 | 0 | 0 | 0 | 110.6 | Y1139 V1140 T1143 | Y1139-L1145 HydrophobicContact CE1-CD1 4.2Å; V1140-L1145 VanDerWaalsContact CG1-O 3.28Å; V1140-L1145 WeakPolarHBondContact CG1-O 3.39Å; V1140-L1145 PolarHBondContact O-N 3.19Å; T1143-L1145 HydrophobicContact CG2-CD1 4.45Å; T1143-L1145 PolarHBondContact O-N 3.15Å; T1143-L1145 WeakPolarHBondContact OG1-CD1 3.48Å; T1143-L1145 WeakPolarHBondContact OG1-CG 3.46Å | ||
| 1146 | S | 73.9 | Confident | 76.5 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 49% | 0.49 | 30% | 0.299 | S | S | . | . | trans | -67.9 | 137.3 | 172.3 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | K1148 V1149 | S1146-K1148 PolarHBondContact O-N 2.82Å; S1146-V1149 WeakPolarHBondContact O-CG2 3.45Å; S1146-V1149 PolarHBondContact O-N 3.07Å | ||
| 1147 | R | 73.9 | Confident | 75.9 | Confident | 91 Ų | 91 | 63.2 Ų | 63.2 | 34% | 0.343 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -26.9 | 173.8 | -169.2 | 178.8 | 153.7 | 153.8 | 5.5 | 113 | V1149 V1150 E1151 D1160 | R1147-V1149 PolarHBondContact O-N 3.06Å; R1147-V1149 VanDerWaalsContact O-N 3.12Å; R1147-V1150 PolarHBondContact O-N 3.32Å; R1147-E1151 WeakPolarHBondContact CD-OE1 3.41Å; R1147-E1151 HydrophobicContact CG-CG 4.28Å; R1147-E1151 WeakPolarHBondContact CG-OE1 3.41Å; R1147-E1151 IonicContact CZ-OE1 3.3Å; R1147-E1151 IonicContact NE-OE1 3.89Å; R1147-E1151 PolarHBondContact NE-OE1 3.16Å; R1147-E1151 IonicContact NH2-OE1 2.67Å; R1147-E1151 WeakPolarHBondContact O-CG 3.38Å; R1147-E1151 PolarHBondContact O-N 3.48Å; R1147-E1151 VanDerWaalsContact O-N 3.09Å; R1147-D1160 IonicContact CZ-OD1 3Å; R1147-D1160 VanDerWaalsContact CZ-OD1 3.3Å; R1147-D1160 IonicContact NH1-OD1 2.8Å; R1147-D1160 PolarHBondContact NH1-OD1 3.2Å; R1147-D1160 IonicContact NH2-OD1 3.16Å; R1147-D1160 PolarHBondContact NH2-OD1 3.43Å; R1147-D1160 IonicContact NH2-OD2 2.76Å; R1147-D1160 PolarHBondContact NH2-OD2 3.1Å; R1147-D1160 VanDerWaalsContact NH2-OD2 3.16Å |
| 1148 | K | 73.8 | Confident | 75.3 | Confident | 156 Ų | 156 | 62.8 Ų | 62.8 | 68% | 0.678 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -53.9 | -30 | 174.5 | -66.6 | -175.5 | 178.6 | -177.5 | 0 | 114.3 | S1146 V1150 A1152 | S1146-K1148 PolarHBondContact O-N 2.82Å; K1148-V1150 VanDerWaalsContact C-N 3.32Å; K1148-A1152 PolarHBondContact O-N 3.22Å; K1148-A1152 VanDerWaalsContact O-N 3.11Å |
| 1149 | V | 74.6 | Confident | 74.7 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 35% | 0.345 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.5 | -34.9 | 179.6 | 179 | 0 | 0 | 0 | 0 | 111.4 | L1103 S1146 R1147 H1153 | L1103-V1149 HydrophobicContact CD1-CG1 4.18Å; S1146-V1149 WeakPolarHBondContact O-CG2 3.45Å; S1146-V1149 PolarHBondContact O-N 3.07Å; R1147-V1149 PolarHBondContact O-N 3.06Å; R1147-V1149 VanDerWaalsContact O-N 3.12Å; V1149-H1153 PolarHBondContact O-CD2 3.41Å |
| 1150 | V | 74.1 | Confident | 74.1 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.03 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -83.9 | -37.9 | 177.1 | 174.3 | 0 | 0 | 0 | 0 | 111 | L1136 V1140 R1147 K1148 A1152 H1153 V1154 F1159 | L1136-V1150 HydrophobicContact CB-CG1 4.21Å; L1136-V1150 HydrophobicContact CD1-CG1 4.05Å; V1140-V1150 HydrophobicContact CG2-CB 4.32Å; V1140-V1150 HydrophobicContact CG2-CG2 3.29Å; R1147-V1150 PolarHBondContact O-N 3.32Å; K1148-V1150 VanDerWaalsContact C-N 3.32Å; V1150-A1152 PolarHBondContact O-N 3.47Å; V1150-H1153 PolarHBondContact O-N 3.17Å; V1150-V1154 PolarHBondContact O-N 3.35Å; V1150-F1159 HydrophobicContact CG1-CD2 4.22Å; V1150-F1159 HydrophobicContact CG1-CE2 3.92Å |
| 1151 | E | 74.5 | Confident | 73.4 | Confident | 73 Ų | 73 | 69 Ų | 69 | 34% | 0.341 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -25.8 | 175.8 | -69.5 | 169.9 | 173.8 | 0 | 0 | 113 | R1147 H1153 V1154 | R1147-E1151 WeakPolarHBondContact CD-OE1 3.41Å; R1147-E1151 HydrophobicContact CG-CG 4.28Å; R1147-E1151 WeakPolarHBondContact CG-OE1 3.41Å; R1147-E1151 IonicContact CZ-OE1 3.3Å; R1147-E1151 IonicContact NE-OE1 3.89Å; R1147-E1151 PolarHBondContact NE-OE1 3.16Å; R1147-E1151 IonicContact NH2-OE1 2.67Å; R1147-E1151 WeakPolarHBondContact O-CG 3.38Å; R1147-E1151 PolarHBondContact O-N 3.48Å; R1147-E1151 VanDerWaalsContact O-N 3.09Å; E1151-H1153 PolarHBondContact O-N 2.85Å; E1151-V1154 CarbonylContact C-O 3.6Å; E1151-V1154 WeakPolarHBondContact CA-O 3.23Å |
| 1152 | A | 75.6 | Confident | 72.8 | Confident | 76 Ų | 76 | 63.7 Ų | 63.7 | 63% | 0.628 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K1148 V1150 | K1148-A1152 PolarHBondContact O-N 3.22Å; K1148-A1152 VanDerWaalsContact O-N 3.11Å; V1150-A1152 PolarHBondContact O-N 3.47Å |
| 1153 | H | 75.6 | Confident | 72 | Confident | 58 Ų | 58 | 70.2 Ų | 70.2 | 27% | 0.269 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -23 | -174.6 | -60.5 | -44.9 | 0 | 0 | 0 | 113.8 | R1111 V1149 V1150 E1151 | R1111-H1153 PolarHBondContact NE-O 2.87Å; V1149-H1153 PolarHBondContact O-CD2 3.41Å; V1150-H1153 PolarHBondContact O-N 3.17Å; E1151-H1153 PolarHBondContact O-N 2.85Å |
| 1154 | V | 76.1 | Confident | 71.3 | Confident | 3 Ų | 3 | 75.1 Ų | 75.1 | 2% | 0.018 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -129.5 | 131.6 | 178.4 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | I1110 L1133 L1136 V1150 E1151 S1156 I1158 | I1110-V1154 HydrophobicContact CD1-CG2 4.07Å; I1110-V1154 HydrophobicContact CG2-CG1 4.24Å; L1133-V1154 HydrophobicContact CD2-CG1 4.33Å; L1136-V1154 HydrophobicContact CD1-CG2 4.02Å; V1150-V1154 PolarHBondContact O-N 3.35Å; E1151-V1154 CarbonylContact C-O 3.6Å; E1151-V1154 WeakPolarHBondContact CA-O 3.23Å; V1154-S1156 PolarHBondContact O-N 2.96Å; V1154-I1158 HydrophobicContact CG1-CB 4.44Å; V1154-I1158 HydrophobicContact CG1-CG2 4.49Å |
| 1155 | P | 76.1 | Confident | 70.3 | Confident | 62 Ų | 62 | 70.6 Ų | 70.6 | 40% | 0.403 | 37% | 0.371 | S | S | . | . | trans | -55.5 | 134.4 | 175.1 | -24.8 | 33.8 | 0 | 0 | 0 | 112.4 | F1157 I1158 F1159 | P1155-F1157 PolarHBondContact O-N 2.91Å; P1155-I1158 HydrophobicContact CB-CD1 4.37Å; P1155-I1158 HydrophobicContact CB-CG1 4.48Å; P1155-I1158 HydrophobicContact CG-CD1 4.15Å; P1155-I1158 PolarHBondContact O-N 3.4Å; P1155-F1159 PolarHBondContact O-N 3.12Å | ||
| 1156 | S | 69.9 | Low | 69 | Low | 64 Ų | 64 | 69.3 Ų | 69.3 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.5 | -37 | -177.6 | 51 | 0 | 0 | 0 | 0 | 113.2 | V1154 I1158 F1159 D1160 | V1154-S1156 PolarHBondContact O-N 2.96Å; S1156-I1158 PolarHBondContact O-N 3Å; S1156-F1159 WeakPolarHBondContact O-CB 3.29Å; S1156-F1159 PolarHBondContact O-N 3.16Å; S1156-F1159 VanDerWaalsContact O-N 3.12Å; S1156-D1160 PolarHBondContact O-N 3.13Å |
| 1157 | F | 69.1 | Low | 68.8 | Low | 126 Ų | 126 | 69.3 Ų | 69.3 | 55% | 0.553 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -56.1 | -45.6 | 177.4 | -179.7 | -101.5 | 0 | 0 | 0 | 113.4 | P1155 F1159 D1160 E1161 | P1155-F1157 PolarHBondContact O-N 2.91Å; F1157-F1159 VanDerWaalsContact C-N 3.27Å; F1157-F1159 PolarHBondContact O-N 3.41Å; F1157-D1160 PolarHBondContact O-N 3Å; F1157-E1161 HydrophobicContact CD1-CG 4.45Å; F1157-E1161 HydrophobicContact CD2-CG 4.28Å; F1157-E1161 HydrophobicContact CE1-CG 4.05Å; F1157-E1161 WeakPolarHBondContact CE1-OE2 3.4Å; F1157-E1161 HydrophobicContact CE2-CG 3.87Å; F1157-E1161 HydrophobicContact CZ-CG 3.77Å; F1157-E1161 WeakPolarHBondContact CZ-OE1 3.42Å; F1157-E1161 VanDerWaalsContact CZ-OE2 3.3Å; F1157-E1161 WeakPolarHBondContact CZ-OE2 3.32Å; F1157-E1161 WeakPolarHBondContact O-CB 3.38Å; F1157-E1161 PolarHBondContact O-N 2.67Å |
| 1158 | I | 70 | Confident | 68.5 | Low | 29 Ų | 29 | 68.2 Ų | 68.2 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.2 | -35 | 179.1 | -63.7 | 175.1 | 0 | 0 | 0 | 110.6 | I1110 L1133 V1154 P1155 S1156 F1162 | I1110-I1158 HydrophobicContact CG2-CG2 4.28Å; L1133-I1158 HydrophobicContact CD1-CG2 4.11Å; L1133-I1158 HydrophobicContact CD2-CG2 4.36Å; V1154-I1158 HydrophobicContact CG1-CB 4.44Å; V1154-I1158 HydrophobicContact CG1-CG2 4.49Å; P1155-I1158 HydrophobicContact CB-CD1 4.37Å; P1155-I1158 HydrophobicContact CB-CG1 4.48Å; P1155-I1158 HydrophobicContact CG-CD1 4.15Å; P1155-I1158 PolarHBondContact O-N 3.4Å; S1156-I1158 PolarHBondContact O-N 3Å; I1158-F1162 WeakPolarHBondContact O-CB 2.81Å; I1158-F1162 PolarHBondContact O-N 2.94Å |
| 1159 | F | 68.1 | Low | 68.2 | Low | 20 Ų | 20 | 63.3 Ų | 63.3 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -73.3 | -33.1 | -179.4 | -157.5 | -96.1 | 0 | 0 | 0 | 112.3 | L1133 L1136 E1137 V1150 P1155 S1156 F1157 | L1133-F1159 HydrophobicContact CD2-CD2 3.91Å; L1133-F1159 HydrophobicContact CD2-CE2 4.5Å; L1136-F1159 HydrophobicContact CB-CE2 4.25Å; E1137-F1159 HydrophobicContact CB-CZ 3.88Å; E1137-F1159 HydrophobicContact CG-CZ 4.43Å; V1150-F1159 HydrophobicContact CG1-CD2 4.22Å; V1150-F1159 HydrophobicContact CG1-CE2 3.92Å; P1155-F1159 PolarHBondContact O-N 3.12Å; S1156-F1159 WeakPolarHBondContact O-CB 3.29Å; S1156-F1159 PolarHBondContact O-N 3.16Å; S1156-F1159 VanDerWaalsContact O-N 3.12Å; F1157-F1159 VanDerWaalsContact C-N 3.27Å; F1157-F1159 PolarHBondContact O-N 3.41Å |
| 1160 | D | 67.3 | Low | 67.9 | Low | 80 Ų | 80 | 63.6 Ų | 63.6 | 43% | 0.428 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -82.3 | -41.8 | 176.8 | -71 | -40.9 | 0 | 0 | 0 | 112.9 | R1147 S1156 F1157 F1162 R1163 | R1147-D1160 IonicContact CZ-OD1 3Å; R1147-D1160 VanDerWaalsContact CZ-OD1 3.3Å; R1147-D1160 IonicContact NH1-OD1 2.8Å; R1147-D1160 PolarHBondContact NH1-OD1 3.2Å; R1147-D1160 IonicContact NH2-OD1 3.16Å; R1147-D1160 PolarHBondContact NH2-OD1 3.43Å; R1147-D1160 IonicContact NH2-OD2 2.76Å; R1147-D1160 PolarHBondContact NH2-OD2 3.1Å; R1147-D1160 VanDerWaalsContact NH2-OD2 3.16Å; S1156-D1160 PolarHBondContact O-N 3.13Å; F1157-D1160 PolarHBondContact O-N 3Å; D1160-F1162 VanDerWaalsContact C-N 3.28Å; D1160-F1162 PolarHBondContact O-N 3.02Å; D1160-R1163 PolarHBondContact O-N 3.07Å |
| 1161 | E | 65.3 | Low | 67.5 | Low | 75 Ų | 75 | 67.3 Ų | 67.3 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.3 | -32.8 | -178.7 | -85.8 | -157.3 | 145.2 | 0 | 0 | 113 | M1125 F1157 R1163 T1164 V1165 | M1125-E1161 HydrophobicContact CE-CB 4.34Å; F1157-E1161 HydrophobicContact CD1-CG 4.45Å; F1157-E1161 HydrophobicContact CD2-CG 4.28Å; F1157-E1161 HydrophobicContact CE1-CG 4.05Å; F1157-E1161 WeakPolarHBondContact CE1-OE2 3.4Å; F1157-E1161 HydrophobicContact CE2-CG 3.87Å; F1157-E1161 HydrophobicContact CZ-CG 3.77Å; F1157-E1161 WeakPolarHBondContact CZ-OE1 3.42Å; F1157-E1161 VanDerWaalsContact CZ-OE2 3.3Å; F1157-E1161 WeakPolarHBondContact CZ-OE2 3.32Å; F1157-E1161 WeakPolarHBondContact O-CB 3.38Å; F1157-E1161 PolarHBondContact O-N 2.67Å; E1161-R1163 PolarHBondContact O-N 3.13Å; E1161-T1164 VanDerWaalsContact CA-OG1 3.29Å; E1161-T1164 WeakPolarHBondContact CA-OG1 3.22Å; E1161-T1164 PolarHBondContact O-N 3.33Å; E1161-T1164 PolarHBondContact O-OG1 3.43Å; E1161-V1165 VanDerWaalsContact O-CG2 3.32Å; E1161-V1165 WeakPolarHBondContact O-CG2 3.32Å; E1161-V1165 PolarHBondContact O-N 2.74Å |
| 1162 | F | 69.6 | Low | 67 | Low | 5 Ų | 5 | 66.9 Ų | 66.9 | 2% | 0.022 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.8 | -33.4 | -177.4 | 170.6 | -118.1 | 0 | 0 | 0 | 113.1 | M1125 V1130 L1133 M1134 I1158 D1160 L1166 | M1125-F1162 HydrophobicContact CE-CB 4.36Å; M1125-F1162 HydrophobicContact SD-CB 3.95Å; M1125-F1162 HydrophobicContact SD-CD2 3.77Å; M1125-F1162 HydrophobicContact SD-CG 4.32Å; V1130-F1162 VanDerWaalsContact CA-CZ 3.46Å; V1130-F1162 HydrophobicContact CB-CD2 4.42Å; V1130-F1162 HydrophobicContact CB-CE2 3.39Å; V1130-F1162 HydrophobicContact CB-CZ 3.71Å; V1130-F1162 HydrophobicContact CG1-CE2 3.38Å; V1130-F1162 HydrophobicContact CG1-CZ 3.38Å; V1130-F1162 HydrophobicContact CG2-CD2 4.02Å; V1130-F1162 HydrophobicContact CG2-CE2 3.3Å; V1130-F1162 HydrophobicContact CG2-CZ 4.16Å; V1130-F1162 VanDerWaalsContact O-CZ 3.23Å; V1130-F1162 WeakPolarHBondContact O-CZ 3.44Å; L1133-F1162 HydrophobicContact CB-CD1 3.73Å; L1133-F1162 HydrophobicContact CB-CE1 3.82Å; L1133-F1162 HydrophobicContact CB-CG 4.25Å; L1133-F1162 HydrophobicContact CB-CZ 4.44Å; L1133-F1162 HydrophobicContact CD1-CB 3.81Å; L1133-F1162 HydrophobicContact CD1-CD1 4.04Å; L1133-F1162 HydrophobicContact CD1-CD2 4.1Å; L1133-F1162 HydrophobicContact CD1-CG 3.69Å; M1134-F1162 HydrophobicContact CG-CE1 3.7Å; M1134-F1162 HydrophobicContact CG-CZ 3.78Å; M1134-F1162 HydrophobicContact SD-CE1 3.66Å; M1134-F1162 HydrophobicContact SD-CZ 4.13Å; I1158-F1162 WeakPolarHBondContact O-CB 2.81Å; I1158-F1162 PolarHBondContact O-N 2.94Å; D1160-F1162 VanDerWaalsContact C-N 3.28Å; D1160-F1162 PolarHBondContact O-N 3.02Å; F1162-L1166 HydrophobicContact CD1-CD1 4.26Å; F1162-L1166 HydrophobicContact CD2-CD1 3.93Å; F1162-L1166 HydrophobicContact CD2-CG 4.01Å; F1162-L1166 HydrophobicContact CE1-CD1 3.65Å; F1162-L1166 HydrophobicContact CE2-CD1 3.19Å; F1162-L1166 HydrophobicContact CE2-CD2 4.03Å; F1162-L1166 HydrophobicContact CE2-CG 3.5Å; F1162-L1166 VanDerWaalsContact CE2-CG 3.5Å; F1162-L1166 HydrophobicContact CG-CD1 4.4Å; F1162-L1166 HydrophobicContact CZ-CD1 3.08Å; F1162-L1166 HydrophobicContact CZ-CG 3.96Å; F1162-L1166 WeakPolarHBondContact O-CB 3.46Å; F1162-L1166 VanDerWaalsContact O-CG 3.22Å; F1162-L1166 WeakPolarHBondContact O-CG 3.08Å; F1162-L1166 PolarHBondContact O-N 2.85Å |
| 1163 | R | 61.9 | Low | 66.4 | Low | 156 Ų | 156 | 66.3 Ų | 66.3 | 59% | 0.589 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -78.6 | -24.7 | 175.3 | -79.1 | -171.3 | 167.5 | -148.5 | -5 | 114.2 | E1137 D1160 E1161 | E1137-R1163 IonicContact OE1-CZ 2.96Å; E1137-R1163 IonicContact OE1-NE 3.73Å; E1137-R1163 PolarHBondContact OE1-NE 3.12Å; E1137-R1163 IonicContact OE1-NH1 2.85Å; E1137-R1163 IonicContact OE1-NH2 3.09Å; E1137-R1163 PolarHBondContact OE1-NH2 3.22Å; E1137-R1163 IonicContact OE2-CZ 2.96Å; E1137-R1163 IonicContact OE2-NE 2.73Å; E1137-R1163 PolarHBondContact OE2-NE 3Å; E1137-R1163 IonicContact OE2-NH2 3.92Å; E1137-R1163 PolarHBondContact OE2-NH2 3.01Å; D1160-R1163 PolarHBondContact O-N 3.07Å; E1161-R1163 PolarHBondContact O-N 3.13Å |
| 1164 | T | 57.7 | Low | 65.7 | Low | 116 Ų | 116 | 66.9 Ų | 66.9 | 71% | 0.712 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -82.4 | -26.6 | 175.5 | 41 | 0 | 0 | 0 | 0 | 113 | E1161 | E1161-T1164 VanDerWaalsContact CA-OG1 3.29Å; E1161-T1164 WeakPolarHBondContact CA-OG1 3.22Å; E1161-T1164 PolarHBondContact O-N 3.33Å; E1161-T1164 PolarHBondContact O-OG1 3.43Å |
| 1165 | V | 53.3 | Low | 64.8 | Low | 82 Ų | 82 | 72.3 Ų | 72.3 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -81.9 | -28.1 | 175.8 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | E1161 | E1161-V1165 VanDerWaalsContact O-CG2 3.32Å; E1161-V1165 WeakPolarHBondContact O-CG2 3.32Å; E1161-V1165 PolarHBondContact O-N 2.74Å |
| 1166 | L | 49.5 | Very low | 63.8 | Low | 52 Ų | 52 | 73.2 Ų | 73.2 | 27% | 0.272 | 37% | 0.373 | S | S | . | . | trans | -78.4 | 0 | 177.3 | -83 | -177.6 | 0 | 0 | 0 | 115.2 | Y1063 K1065 V1130 F1162 | Y1063-L1166 HydrophobicContact CD1-CB 4.42Å; Y1063-L1166 HydrophobicContact CD1-CD1 3.72Å; Y1063-L1166 HydrophobicContact CD1-CD2 3.46Å; Y1063-L1166 VanDerWaalsContact CD1-CD2 3.46Å; Y1063-L1166 HydrophobicContact CD1-CG 4.07Å; Y1063-L1166 HydrophobicContact CD2-CD1 4.2Å; Y1063-L1166 HydrophobicContact CE1-CB 3.96Å; Y1063-L1166 HydrophobicContact CE1-CD1 3.55Å; Y1063-L1166 HydrophobicContact CE1-CD2 3.89Å; Y1063-L1166 HydrophobicContact CE1-CG 4.03Å; Y1063-L1166 HydrophobicContact CE2-CD1 4.05Å; Y1063-L1166 HydrophobicContact CG-CD1 4.03Å; Y1063-L1166 HydrophobicContact CG-CD2 4.11Å; K1065-L1166 WeakPolarHBondContact CD-O 3.3Å; K1065-L1166 WeakPolarHBondContact CE-O 3Å; K1065-L1166 WeakPolarHBondContact CG-O 3.48Å; K1065-L1166 PolarHBondContact NZ-O 2.64Å; K1065-L1166 PolarHBondContact NZ-OXT 2.8Å; V1130-L1166 HydrophobicContact CG1-CD2 4.28Å; F1162-L1166 HydrophobicContact CD1-CD1 4.26Å; F1162-L1166 HydrophobicContact CD2-CD1 3.93Å; F1162-L1166 HydrophobicContact CD2-CG 4.01Å; F1162-L1166 HydrophobicContact CE1-CD1 3.65Å; F1162-L1166 HydrophobicContact CE2-CD1 3.19Å; F1162-L1166 HydrophobicContact CE2-CD2 4.03Å; F1162-L1166 HydrophobicContact CE2-CG 3.5Å; F1162-L1166 VanDerWaalsContact CE2-CG 3.5Å; F1162-L1166 HydrophobicContact CG-CD1 4.4Å; F1162-L1166 HydrophobicContact CZ-CD1 3.08Å; F1162-L1166 HydrophobicContact CZ-CG 3.96Å; F1162-L1166 WeakPolarHBondContact O-CB 3.46Å; F1162-L1166 VanDerWaalsContact O-CG 3.22Å; F1162-L1166 WeakPolarHBondContact O-CG 3.08Å; F1162-L1166 PolarHBondContact O-N 2.85Å |
Retrieved 1,166 of 1,166 residues in 3242.3 ms
(Link to these results)