| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 80.7 | Confident | 88.9 | Confident | 135 Ų | 135 | 54.9 Ų | 54.9 | 67% | 0.665 | 27% | 0.267 | S | S | * | . | 0 | 124.2 | 0 | -64.5 | -53 | -81.5 | 0 | 0 | 109.7 | D5 I7 I39 | M1-D5 WeakPolarHBondContact CA-OD2 3.19Å; M1-D5 HydrophobicContact CE-CB 4.14Å; M1-I7 HydrophobicContact CE-CD1 4.25Å; M1-I7 HydrophobicContact CE-CG1 3.94Å; M1-I39 HydrophobicContact CE-CD1 4.17Å; M1-I39 HydrophobicContact CE-CG1 4.01Å; M1-I39 HydrophobicContact CE-CG2 4.43Å; M1-I39 HydrophobicContact CG-CD1 4.47Å; M1-I39 HydrophobicContact SD-CB 4.44Å; M1-I39 HydrophobicContact SD-CD1 3.12Å; M1-I39 WeakPolarHBondContact SD-CD1 3.43Å; M1-I39 HydrophobicContact SD-CG1 3.58Å; M1-I39 VanDerWaalsContact SD-CG1 3.58Å; M1-I39 HydrophobicContact SD-CG2 4.13Å | |||
| 2 | R | 85.6 | Confident | 88.5 | Confident | 107 Ų | 107 | 61.2 Ų | 61.2 | 40% | 0.404 | 30% | 0.303 | S | S | . | . | trans | -124.4 | 163 | 176.2 | -59.6 | -177.5 | -172.1 | -174.5 | 12.9 | 108.6 | G4 D5 R42 E89 | R2-G4 PolarHBondContact O-N 2.67Å; R2-D5 PolarHBondContact N-OD2 3.26Å; R2-D5 PolarHBondContact O-N 2.93Å; R2-R42 VanDerWaalsContact NH1-NH2 3.14Å; R2-E89 WeakPolarHBondContact CD-OE1 3.42Å; R2-E89 IonicContact CZ-OE1 3.02Å; R2-E89 IonicContact NH1-OE1 2.7Å; R2-E89 PolarHBondContact NH1-OE1 2.96Å; R2-E89 IonicContact NH1-OE2 2.84Å | ||
| 3 | F | 87.6 | Confident | 88.5 | Confident | 32 Ų | 32 | 64.5 Ų | 64.5 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 127.1 | 177.8 | -179 | -90.2 | 0 | 0 | 0 | 110.4 | I88 V96 M119 F124 L127 I128 M140 | F3-I88 HydrophobicContact CB-CG2 4.39Å; F3-I88 HydrophobicContact CD1-CD1 4.06Å; F3-I88 HydrophobicContact CD1-CG1 4.4Å; F3-I88 HydrophobicContact CD1-CG2 4.11Å; F3-I88 HydrophobicContact CE1-CD1 4.33Å; F3-V96 HydrophobicContact CB-CG2 4.4Å; F3-V96 HydrophobicContact CD1-CG2 4.01Å; F3-V96 HydrophobicContact CG-CG2 4.21Å; F3-M119 HydrophobicContact CE1-SD 4.38Å; F3-F124 AromaticContact CE1-CD2 3.58Å; F3-F124 HydrophobicContact CE1-CD2 3.58Å; F3-F124 AromaticContact CE1-CE2 3.67Å; F3-F124 HydrophobicContact CE1-CE2 3.67Å; F3-F124 AromaticContact CZ-CD2 3.8Å; F3-F124 HydrophobicContact CZ-CD2 3.8Å; F3-F124 AromaticContact CZ-CE2 3.72Å; F3-F124 HydrophobicContact CZ-CE2 3.72Å; F3-L127 HydrophobicContact CE1-CD1 4.15Å; F3-L127 HydrophobicContact CE2-CB 4.49Å; F3-L127 HydrophobicContact CZ-CB 3.93Å; F3-L127 HydrophobicContact CZ-CD1 4.05Å; F3-I128 HydrophobicContact CE2-CG2 4.21Å; F3-I128 HydrophobicContact CZ-CG2 4.18Å; F3-M140 HydrophobicContact CB-CE 4.28Å; F3-M140 HydrophobicContact CD2-CE 3.45Å; F3-M140 VanDerWaalsContact CD2-CE 3.45Å; F3-M140 HydrophobicContact CE2-CE 4.06Å; F3-M140 HydrophobicContact CG-CE 4.04Å |
| 4 | G | 88.1 | Confident | 88.7 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 14% | 0.144 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.6 | -3.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R2 R42 P43 | R2-G4 PolarHBondContact O-N 2.67Å; G4-R42 WeakPolarHBondContact O-CA 3.43Å; G4-P43 WeakPolarHBondContact O-CD 3.18Å |
| 5 | D | 91.5 | Very high | 88.8 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 15% | 0.15 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 141.6 | 173.2 | -72.6 | -11.7 | 0 | 0 | 0 | 111.5 | M1 R2 I39 R42 | M1-D5 WeakPolarHBondContact CA-OD2 3.19Å; M1-D5 HydrophobicContact CE-CB 4.14Å; R2-D5 PolarHBondContact N-OD2 3.26Å; R2-D5 PolarHBondContact O-N 2.93Å; D5-I39 HydrophobicContact CB-CG2 3.68Å; D5-R42 WeakPolarHBondContact OD1-CG 3.26Å; D5-R42 PolarHBondContact OD1-N 3.47Å; D5-R42 VanDerWaalsContact OD1-N 3.11Å |
| 6 | Q | 91.3 | Very high | 88.8 | Confident | 81 Ų | 81 | 69.6 Ų | 69.6 | 38% | 0.379 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.5 | 177 | 179.9 | 180 | 23.2 | 0 | 0 | 109.8 | L8 I39 R40 P43 | Q6-L8 HydrophobicContact CG-CD2 4.3Å; Q6-I39 CarbonylContact O-C 3.52Å; Q6-I39 WeakPolarHBondContact O-CA 3.37Å; Q6-R40 HydrophobicContact CB-CB 4.3Å; Q6-R40 PolarHBondContact N-O 3.29Å; Q6-R40 PolarHBondContact O-N 3.01Å; Q6-P43 HydrophobicContact CB-CG 3.98Å |
| 7 | I | 91.8 | Very high | 88.9 | Confident | 53 Ų | 53 | 70.2 Ų | 70.2 | 27% | 0.272 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 127 | 172.7 | -56.2 | 172.4 | 0 | 0 | 0 | 107.8 | M1 V10 V15 L37 | M1-I7 HydrophobicContact CE-CD1 4.25Å; M1-I7 HydrophobicContact CE-CG1 3.94Å; I7-V10 HydrophobicContact CG2-CG2 3.73Å; I7-V15 HydrophobicContact CB-CG2 4.21Å; I7-V15 HydrophobicContact CG2-CG1 4.49Å; I7-V15 HydrophobicContact CG2-CG2 3.89Å; I7-V15 WeakPolarHBondContact O-CG2 3.26Å; I7-L37 HydrophobicContact CG2-CD2 4.39Å |
| 8 | L | 92.8 | Very high | 88.9 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 28% | 0.277 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -39.9 | 177.7 | -60.5 | 178.5 | 0 | 0 | 0 | 111.4 | Q6 V15 A38 R40 | Q6-L8 HydrophobicContact CG-CD2 4.3Å; L8-V15 WeakPolarHBondContact O-CG2 2.97Å; L8-V15 PolarHBondContact O-N 2.85Å; L8-V15 VanDerWaalsContact O-N 3.12Å; L8-A38 HydrophobicContact CB-CB 4.25Å; L8-A38 WeakPolarHBondContact CB-O 3.38Å; L8-A38 PolarHBondContact N-O 2.89Å; L8-R40 HydrophobicContact CD1-CB 4.14Å; L8-R40 HydrophobicContact CD2-CB 4.43Å; L8-R40 HydrophobicContact CG-CB 4.28Å |
| 9 | Q | 91.8 | Very high | 88.9 | Confident | 50 Ų | 50 | 72.2 Ų | 72.2 | 23% | 0.234 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 149.6 | 177.9 | -61.2 | 170.2 | -29.7 | 0 | 0 | 111.2 | E13 F14 L37 A38 | Q9-E13 CarbonylContact C-O 3.48Å; Q9-E13 WeakPolarHBondContact CA-O 3.21Å; Q9-E13 WeakPolarHBondContact CB-O 3.32Å; Q9-F14 HydrophobicContact CG-CD1 3.57Å; Q9-F14 HydrophobicContact CG-CE1 3.86Å; Q9-F14 HydrophobicContact CG-CG 4.04Å; Q9-L37 WeakPolarHBondContact O-CA 3.35Å; Q9-A38 HydrophobicContact CB-CB 3.8Å; Q9-A38 HydrophobicContact CG-CB 4.22Å; Q9-A38 PolarHBondContact N-O 3.41Å; Q9-A38 PolarHBondContact O-N 2.68Å |
| 10 | V | 89.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 116.9 | 170.2 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | I7 D12 E13 V15 I26 L27 I35 V36 L37 | I7-V10 HydrophobicContact CG2-CG2 3.73Å; V10-D12 VanDerWaalsContact C-N 3.31Å; V10-D12 PolarHBondContact O-N 3.39Å; V10-E13 PolarHBondContact N-O 3.01Å; V10-E13 WeakPolarHBondContact O-CB 3.32Å; V10-E13 PolarHBondContact O-N 2.82Å; V10-V15 HydrophobicContact CB-CG1 4.24Å; V10-V15 HydrophobicContact CG2-CG1 3.57Å; V10-I26 HydrophobicContact CB-CG2 4.08Å; V10-I26 HydrophobicContact CG1-CG2 3.75Å; V10-L27 HydrophobicContact CG1-CD2 3.71Å; V10-L27 HydrophobicContact CG1-CG 4.38Å; V10-I35 HydrophobicContact CG1-CG2 4.33Å; V10-V36 CarbonylContact C-O 3.51Å; V10-L37 HydrophobicContact CB-CD2 4.13Å; V10-L37 HydrophobicContact CG1-CD2 3.96Å; V10-L37 HydrophobicContact CG2-CD2 3.66Å |
| 11 | N | 87 | Confident | 88.7 | Confident | 51 Ų | 51 | 76 Ų | 76 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 49.4 | -177.4 | -61.9 | -34.4 | 0 | 0 | 0 | 113.4 | E13 S30 I35 V36 | N11-E13 PolarHBondContact O-N 3.29Å; N11-S30 WeakPolarHBondContact ND2-CB 2.91Å; N11-I35 WeakPolarHBondContact OD1-CA 3.01Å; N11-V36 PolarHBondContact N-O 3.44Å; N11-V36 PolarHBondContact OD1-N 2.82Å |
| 12 | D | 84.7 | Confident | 89.1 | Confident | 130 Ų | 130 | 74.1 Ų | 74.1 | 70% | 0.695 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | -1.3 | -178 | -51 | -46.5 | 0 | 0 | 0 | 115.9 | V10 | V10-D12 VanDerWaalsContact C-N 3.31Å; V10-D12 PolarHBondContact O-N 3.39Å |
| 13 | E | 88.4 | Confident | 89.3 | Confident | 104 Ų | 104 | 70.3 Ų | 70.3 | 49% | 0.486 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 126.8 | 169.3 | -66.7 | -174.8 | 173.3 | 0 | 0 | 111.1 | Q9 V10 N11 V15 | Q9-E13 CarbonylContact C-O 3.48Å; Q9-E13 WeakPolarHBondContact CA-O 3.21Å; Q9-E13 WeakPolarHBondContact CB-O 3.32Å; V10-E13 PolarHBondContact N-O 3.01Å; V10-E13 WeakPolarHBondContact O-CB 3.32Å; V10-E13 PolarHBondContact O-N 2.82Å; N11-E13 PolarHBondContact O-N 3.29Å; E13-V15 PolarHBondContact O-N 3.35Å |
| 14 | F | 91.6 | Very high | 89.3 | Confident | 138 Ų | 138 | 72 Ų | 72 | 61% | 0.605 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 124.2 | 175.9 | -70.9 | -85.7 | 0 | 0 | 0 | 111 | Q9 T16 M18 | Q9-F14 HydrophobicContact CG-CD1 3.57Å; Q9-F14 HydrophobicContact CG-CE1 3.86Å; Q9-F14 HydrophobicContact CG-CG 4.04Å; F14-T16 PolarHBondContact O-N 3.12Å; F14-M18 VanDerWaalsContact O-CE 3.27Å; F14-M18 WeakPolarHBondContact O-CE 3.48Å |
| 15 | V | 89.1 | Confident | 89.4 | Confident | 18 Ų | 18 | 75 Ų | 75 | 11% | 0.109 | 41% | 0.41 | C | S | . | . | trans | -85.8 | 11.9 | 179 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | I7 L8 V10 E13 G17 M18 V23 | I7-V15 HydrophobicContact CB-CG2 4.21Å; I7-V15 HydrophobicContact CG2-CG1 4.49Å; I7-V15 HydrophobicContact CG2-CG2 3.89Å; I7-V15 WeakPolarHBondContact O-CG2 3.26Å; L8-V15 WeakPolarHBondContact O-CG2 2.97Å; L8-V15 PolarHBondContact O-N 2.85Å; L8-V15 VanDerWaalsContact O-N 3.12Å; V10-V15 HydrophobicContact CB-CG1 4.24Å; V10-V15 HydrophobicContact CG2-CG1 3.57Å; E13-V15 PolarHBondContact O-N 3.35Å; V15-G17 PolarHBondContact O-N 3.26Å; V15-M18 HydrophobicContact CB-SD 4.21Å; V15-M18 HydrophobicContact CG1-SD 4.14Å; V15-M18 PolarHBondContact O-N 3.05Å; V15-V23 HydrophobicContact CB-CG2 4.12Å; V15-V23 HydrophobicContact CG1-CG1 4.32Å; V15-V23 HydrophobicContact CG1-CG2 4.08Å | ||
| 16 | T | 89.6 | Confident | 89.2 | Confident | 119 Ų | 119 | 75 Ų | 75 | 73% | 0.73 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 120.3 | -177.8 | -55.9 | 0 | 0 | 0 | 0 | 110 | F14 M18 | F14-T16 PolarHBondContact O-N 3.12Å; T16-M18 VanDerWaalsContact C-N 3.31Å |
| 17 | G | 89.8 | Confident | 89.1 | Confident | 81 Ų | 81 | 73.9 Ų | 73.9 | 84% | 0.835 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V15 | V15-G17 PolarHBondContact O-N 3.26Š|
| 18 | M | 89.3 | Confident | 88.9 | Confident | 64 Ų | 64 | 78.4 Ų | 78.4 | 32% | 0.315 | 43% | 0.426 | S | S | . | . | trans | -77.8 | 146.1 | 177.2 | -68.3 | 179.7 | -179.3 | 0 | 0 | 112.1 | F14 V15 T16 E22 V23 I26 | F14-M18 VanDerWaalsContact O-CE 3.27Å; F14-M18 WeakPolarHBondContact O-CE 3.48Å; V15-M18 HydrophobicContact CB-SD 4.21Å; V15-M18 HydrophobicContact CG1-SD 4.14Å; V15-M18 PolarHBondContact O-N 3.05Å; T16-M18 VanDerWaalsContact C-N 3.31Å; M18-E22 WeakPolarHBondContact CA-OE2 3.35Å; M18-E22 HydrophobicContact CB-CB 4.17Å; M18-E22 WeakPolarHBondContact CB-OE2 3.38Å; M18-V23 HydrophobicContact CB-CG2 3.77Å; M18-V23 HydrophobicContact SD-CG2 4.35Å; M18-I26 HydrophobicContact CE-CD1 3.74Å; M18-I26 HydrophobicContact SD-CD1 3.35Å; M18-I26 WeakPolarHBondContact SD-CD1 3.43Å | ||
| 19 | D | 88.6 | Confident | 88.6 | Confident | 113 Ų | 113 | 84.4 Ų | 84.4 | 60% | 0.604 | 45% | 0.449 | S | S | * | . | trans | -77.1 | 160.8 | 171.4 | -86.2 | -31.3 | 0 | 0 | 0 | 112 | E21 E22 V23 | D19-E21 PolarHBondContact O-N 3Å; D19-E21 VanDerWaalsContact O-N 3.17Å; D19-E22 HydrophobicContact CB-CG 4.34Å; D19-E22 PolarHBondContact N-OE2 3.03Å; D19-E22 PolarHBondContact O-N 3.3Å; D19-E22 VanDerWaalsContact O-N 3.1Å; D19-V23 PolarHBondContact O-N 3.03Å; D19-V23 VanDerWaalsContact O-N 3.1Å | ||
| 20 | C | 85.2 | Confident | 88.2 | Confident | 76 Ų | 76 | 83 Ų | 83 | 51% | 0.514 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -55.1 | -37.3 | 179 | -62 | 0 | 0 | 0 | 0 | 112.5 | V24 | C20-V24 WeakPolarHBondContact O-CB 3.45Å; C20-V24 WeakPolarHBondContact O-CG2 3.21Å; C20-V24 PolarHBondContact O-N 3.17Å |
| 21 | E | 88.2 | Confident | 87.6 | Confident | 149 Ų | 149 | 91.4 Ų | 91.4 | 70% | 0.696 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.5 | -37.9 | -179.9 | -65.5 | 179.5 | -170.4 | 0 | 0 | 111.7 | D19 V24 N25 | D19-E21 PolarHBondContact O-N 3Å; D19-E21 VanDerWaalsContact O-N 3.17Å; E21-V24 PolarHBondContact O-N 3.05Å; E21-N25 WeakPolarHBondContact O-CB 3.48Å; E21-N25 PolarHBondContact O-N 3.48Å; E21-N25 PolarHBondContact O-ND2 3.02Å; E21-N25 VanDerWaalsContact O-ND2 3.14Å |
| 22 | E | 90.2 | Very high | 87 | Confident | 96 Ų | 96 | 95.1 Ų | 95.1 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 176.6 | -63.1 | 179.4 | 152.9 | 0 | 0 | 111.2 | M18 D19 V24 N25 I26 | M18-E22 WeakPolarHBondContact CA-OE2 3.35Å; M18-E22 HydrophobicContact CB-CB 4.17Å; M18-E22 WeakPolarHBondContact CB-OE2 3.38Å; D19-E22 HydrophobicContact CB-CG 4.34Å; D19-E22 PolarHBondContact N-OE2 3.03Å; D19-E22 PolarHBondContact O-N 3.3Å; D19-E22 VanDerWaalsContact O-N 3.1Å; E22-V24 PolarHBondContact O-N 3.31Å; E22-N25 WeakPolarHBondContact O-CB 3.48Å; E22-N25 PolarHBondContact O-N 3.5Å; E22-I26 WeakPolarHBondContact O-CG1 3.27Å; E22-I26 PolarHBondContact O-N 3.4Å |
| 23 | V | 89.3 | Confident | 86.8 | Confident | 26 Ų | 26 | 98 Ų | 98 | 16% | 0.158 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 176.7 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | V15 M18 D19 I26 L27 | V15-V23 HydrophobicContact CB-CG2 4.12Å; V15-V23 HydrophobicContact CG1-CG1 4.32Å; V15-V23 HydrophobicContact CG1-CG2 4.08Å; M18-V23 HydrophobicContact CB-CG2 3.77Å; M18-V23 HydrophobicContact SD-CG2 4.35Å; D19-V23 PolarHBondContact O-N 3.03Å; D19-V23 VanDerWaalsContact O-N 3.1Å; V23-I26 PolarHBondContact O-N 3.06Å; V23-L27 HydrophobicContact CG1-CD1 4.35Å; V23-L27 WeakPolarHBondContact O-CG 3.47Å; V23-L27 PolarHBondContact O-N 2.89Å |
| 24 | V | 88.3 | Confident | 86.6 | Confident | 68 Ų | 68 | 102.2 Ų | 102.2 | 41% | 0.412 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 174.3 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | C20 E21 E22 I26 L27 E28 | C20-V24 WeakPolarHBondContact O-CB 3.45Å; C20-V24 WeakPolarHBondContact O-CG2 3.21Å; C20-V24 PolarHBondContact O-N 3.17Å; E21-V24 PolarHBondContact O-N 3.05Å; E22-V24 PolarHBondContact O-N 3.31Å; V24-I26 VanDerWaalsContact C-N 3.31Å; V24-I26 PolarHBondContact O-N 3.1Å; V24-L27 PolarHBondContact O-N 3.14Å; V24-L27 VanDerWaalsContact O-N 3.14Å; V24-E28 HydrophobicContact CG1-CG 4.22Å; V24-E28 WeakPolarHBondContact O-CG 3.33Å; V24-E28 PolarHBondContact O-N 3.32Å |
| 25 | N | 89.3 | Confident | 86.4 | Confident | 77 Ų | 77 | 99.4 Ų | 99.4 | 41% | 0.412 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.4 | -37.2 | 175.8 | -72.6 | -29.3 | 0 | 0 | 0 | 112.4 | E21 E22 K29 | E21-N25 WeakPolarHBondContact O-CB 3.48Å; E21-N25 PolarHBondContact O-N 3.48Å; E21-N25 PolarHBondContact O-ND2 3.02Å; E21-N25 VanDerWaalsContact O-ND2 3.14Å; E22-N25 WeakPolarHBondContact O-CB 3.48Å; E22-N25 PolarHBondContact O-N 3.5Å; N25-K29 WeakPolarHBondContact O-CB 3.29Å; N25-K29 WeakPolarHBondContact O-CG 3.41Å; N25-K29 PolarHBondContact O-N 3.17Å |
| 26 | I | 87.9 | Confident | 86.3 | Confident | 28 Ų | 28 | 101.5 Ų | 101.5 | 14% | 0.144 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 174.5 | -67.2 | 164.3 | 0 | 0 | 0 | 110.5 | V10 M18 E22 V23 V24 K29 S30 | V10-I26 HydrophobicContact CB-CG2 4.08Å; V10-I26 HydrophobicContact CG1-CG2 3.75Å; M18-I26 HydrophobicContact CE-CD1 3.74Å; M18-I26 HydrophobicContact SD-CD1 3.35Å; M18-I26 WeakPolarHBondContact SD-CD1 3.43Å; E22-I26 WeakPolarHBondContact O-CG1 3.27Å; E22-I26 PolarHBondContact O-N 3.4Å; V23-I26 PolarHBondContact O-N 3.06Å; V24-I26 VanDerWaalsContact C-N 3.31Å; V24-I26 PolarHBondContact O-N 3.1Å; I26-K29 PolarHBondContact O-N 3.1Å; I26-S30 PolarHBondContact O-N 3.45Å; I26-S30 VanDerWaalsContact O-N 3.11Å |
| 27 | L | 87.9 | Confident | 86.4 | Confident | 58 Ų | 58 | 98.5 Ų | 98.5 | 30% | 0.304 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 177.1 | -70.2 | 169.1 | 0 | 0 | 0 | 112 | V10 V23 V24 S30 I35 L37 | V10-L27 HydrophobicContact CG1-CD2 3.71Å; V10-L27 HydrophobicContact CG1-CG 4.38Å; V23-L27 HydrophobicContact CG1-CD1 4.35Å; V23-L27 WeakPolarHBondContact O-CG 3.47Å; V23-L27 PolarHBondContact O-N 2.89Å; V24-L27 PolarHBondContact O-N 3.14Å; V24-L27 VanDerWaalsContact O-N 3.14Å; L27-S30 PolarHBondContact O-N 2.86Å; L27-S30 PolarHBondContact O-OG 3.24Å; L27-I35 HydrophobicContact CD2-CD1 4.34Å; L27-I35 HydrophobicContact CD2-CG2 3.85Å; L27-L37 HydrophobicContact CD2-CD2 4.36Å |
| 28 | E | 88.2 | Confident | 86.5 | Confident | 148 Ų | 148 | 96.1 Ų | 96.1 | 69% | 0.692 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.1 | -33.3 | 177.4 | -73.6 | -176.3 | 174.1 | 0 | 0 | 112.8 | V24 S30 | V24-E28 HydrophobicContact CG1-CG 4.22Å; V24-E28 WeakPolarHBondContact O-CG 3.33Å; V24-E28 PolarHBondContact O-N 3.32Å; E28-S30 VanDerWaalsContact C-N 3.33Å |
| 29 | K | 86.1 | Confident | 86.7 | Confident | 178 Ų | 178 | 95.8 Ų | 95.8 | 77% | 0.774 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -75.1 | -21.6 | 174.6 | -73.9 | 173.1 | -175.7 | 177.2 | 0 | 113.3 | N25 I26 | N25-K29 WeakPolarHBondContact O-CB 3.29Å; N25-K29 WeakPolarHBondContact O-CG 3.41Å; N25-K29 PolarHBondContact O-N 3.17Å; I26-K29 PolarHBondContact O-N 3.1Å |
| 30 | S | 82.9 | Confident | 86.9 | Confident | 20 Ų | 20 | 97 Ų | 97 | 14% | 0.14 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -70.8 | 146.9 | -177.9 | 71.8 | 0 | 0 | 0 | 0 | 112.3 | N11 I26 L27 E28 S32 I35 | N11-S30 WeakPolarHBondContact ND2-CB 2.91Å; I26-S30 PolarHBondContact O-N 3.45Å; I26-S30 VanDerWaalsContact O-N 3.11Å; L27-S30 PolarHBondContact O-N 2.86Å; L27-S30 PolarHBondContact O-OG 3.24Å; E28-S30 VanDerWaalsContact C-N 3.33Å; S30-S32 PolarHBondContact O-N 2.96Å; S30-I35 WeakPolarHBondContact OG-CD1 3.41Å; S30-I35 WeakPolarHBondContact OG-CG1 3.33Å |
| 31 | K | 77.1 | Confident | 87.1 | Confident | 178 Ų | 178 | 99 Ų | 99 | 77% | 0.774 | 49% | 0.488 | S | S | * | . | trans | -65.6 | 130.6 | 178.8 | -65.6 | 179.6 | -178.6 | 177.9 | 0 | 109.8 | E33 R34 | K31-E33 PolarHBondContact O-N 2.66Å; K31-R34 PolarHBondContact O-N 3.33Å | ||
| 32 | S | 76 | Confident | 87.2 | Confident | 128 Ų | 128 | 94 Ų | 94 | 90% | 0.895 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -22.6 | -176.3 | -38.4 | 0 | 0 | 0 | 0 | 114.8 | S30 | S30-S32 PolarHBondContact O-N 2.96Š|
| 33 | E | 80.6 | Confident | 87.3 | Confident | 190 Ų | 190 | 91.9 Ų | 91.9 | 89% | 0.888 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -27.8 | -175.5 | -65.3 | -179.8 | 168.9 | 0 | 0 | 113.7 | K31 | K31-E33 PolarHBondContact O-N 2.66Š|
| 34 | R | 82.9 | Confident | 87.5 | Confident | 194 Ų | 194 | 95.8 Ų | 95.8 | 73% | 0.732 | 47% | 0.472 | S | S | * | . | trans | -153.8 | 113.1 | -175.2 | -169.6 | 177.3 | -178.6 | -175.4 | -1 | 111.8 | K31 V36 | K31-R34 PolarHBondContact O-N 3.33Å; R34-V36 HydrophobicContact CG-CG2 4.25Å | ||
| 35 | I | 87.2 | Confident | 87.7 | Confident | 78 Ų | 78 | 93.9 Ų | 93.9 | 40% | 0.4 | 46% | 0.464 | S | S | . | . | trans | -116.8 | 117.5 | 169.6 | -55.1 | 179 | 0 | 0 | 0 | 107.3 | V10 N11 L27 S30 L37 | V10-I35 HydrophobicContact CG1-CG2 4.33Å; N11-I35 WeakPolarHBondContact OD1-CA 3.01Å; L27-I35 HydrophobicContact CD2-CD1 4.34Å; L27-I35 HydrophobicContact CD2-CG2 3.85Å; S30-I35 WeakPolarHBondContact OG-CD1 3.41Å; S30-I35 WeakPolarHBondContact OG-CG1 3.33Å; I35-L37 HydrophobicContact CG2-CD2 3.82Å; I35-L37 HydrophobicContact CG2-CG 4.05Å | ||
| 36 | V | 88.6 | Confident | 87.8 | Confident | 63 Ų | 63 | 96.4 Ų | 96.4 | 38% | 0.382 | 47% | 0.467 | S | S | . | . | trans | -96.7 | 121.9 | 175.5 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | V10 N11 R34 | V10-V36 CarbonylContact C-O 3.51Å; N11-V36 PolarHBondContact N-O 3.44Å; N11-V36 PolarHBondContact OD1-N 2.82Å; R34-V36 HydrophobicContact CG-CG2 4.25Å | ||
| 37 | L | 91.3 | Very high | 88.1 | Confident | 55 Ų | 55 | 99.1 Ų | 99.1 | 29% | 0.288 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.1 | 178.6 | -60.2 | 177.5 | 0 | 0 | 0 | 109 | I7 Q9 V10 L27 I35 I39 | I7-L37 HydrophobicContact CG2-CD2 4.39Å; Q9-L37 WeakPolarHBondContact O-CA 3.35Å; V10-L37 HydrophobicContact CB-CD2 4.13Å; V10-L37 HydrophobicContact CG1-CD2 3.96Å; V10-L37 HydrophobicContact CG2-CD2 3.66Å; L27-L37 HydrophobicContact CD2-CD2 4.36Å; I35-L37 HydrophobicContact CG2-CD2 3.82Å; I35-L37 HydrophobicContact CG2-CG 4.05Å; L37-I39 HydrophobicContact CB-CD1 3.62Å; L37-I39 HydrophobicContact CB-CG1 3.9Å; L37-I39 HydrophobicContact CD1-CD1 4.38Å |
| 38 | A | 91.8 | Very high | 88.3 | Confident | 31 Ų | 31 | 96.7 Ų | 96.7 | 26% | 0.256 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 118.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | L8 Q9 | L8-A38 HydrophobicContact CB-CB 4.25Å; L8-A38 WeakPolarHBondContact CB-O 3.38Å; L8-A38 PolarHBondContact N-O 2.89Å; Q9-A38 HydrophobicContact CB-CB 3.8Å; Q9-A38 HydrophobicContact CG-CB 4.22Å; Q9-A38 PolarHBondContact N-O 3.41Å; Q9-A38 PolarHBondContact O-N 2.68Å |
| 39 | I | 92.9 | Very high | 88.6 | Confident | 58 Ų | 58 | 93 Ų | 93 | 30% | 0.297 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.1 | -171.4 | -62.2 | 137.6 | 0 | 0 | 0 | 109.7 | M1 D5 Q6 L37 | M1-I39 HydrophobicContact CE-CD1 4.17Å; M1-I39 HydrophobicContact CE-CG1 4.01Å; M1-I39 HydrophobicContact CE-CG2 4.43Å; M1-I39 HydrophobicContact CG-CD1 4.47Å; M1-I39 HydrophobicContact SD-CB 4.44Å; M1-I39 HydrophobicContact SD-CD1 3.12Å; M1-I39 WeakPolarHBondContact SD-CD1 3.43Å; M1-I39 HydrophobicContact SD-CG1 3.58Å; M1-I39 VanDerWaalsContact SD-CG1 3.58Å; M1-I39 HydrophobicContact SD-CG2 4.13Å; D5-I39 HydrophobicContact CB-CG2 3.68Å; Q6-I39 CarbonylContact O-C 3.52Å; Q6-I39 WeakPolarHBondContact O-CA 3.37Å; L37-I39 HydrophobicContact CB-CD1 3.62Å; L37-I39 HydrophobicContact CB-CG1 3.9Å; L37-I39 HydrophobicContact CD1-CD1 4.38Å |
| 40 | R | 92.6 | Very high | 88.9 | Confident | 137 Ų | 137 | 84.6 Ų | 84.6 | 52% | 0.517 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 112.5 | 164.9 | -179.2 | -179.3 | -75.2 | 159.4 | -7.5 | 108.3 | Q6 L8 R42 | Q6-R40 HydrophobicContact CB-CB 4.3Å; Q6-R40 PolarHBondContact N-O 3.29Å; Q6-R40 PolarHBondContact O-N 3.01Å; L8-R40 HydrophobicContact CD1-CB 4.14Å; L8-R40 HydrophobicContact CD2-CB 4.43Å; L8-R40 HydrophobicContact CG-CB 4.28Å; R40-R42 PolarHBondContact O-N 2.82Å |
| 41 | D | 90.5 | Very high | 89.3 | Confident | 118 Ų | 118 | 88 Ų | 88 | 63% | 0.631 | 44% | 0.438 | S | S | * | . | trans | -64.3 | 116.2 | -176.5 | -71.6 | -11.8 | 0 | 0 | 0 | 111.2 | ||||
| 42 | R | 89.8 | Confident | 89.9 | Confident | 44 Ų | 44 | 82 Ų | 82 | 17% | 0.166 | 41% | 0.41 | C | S | . | . | trans | 28.7 | 72.8 | 175.9 | -64.8 | 169.4 | -71.5 | -136.3 | -0.8 | 116.5 | R2 G4 D5 R40 F44 A45 E89 | R2-R42 VanDerWaalsContact NH1-NH2 3.14Å; G4-R42 WeakPolarHBondContact O-CA 3.43Å; D5-R42 WeakPolarHBondContact OD1-CG 3.26Å; D5-R42 PolarHBondContact OD1-N 3.47Å; D5-R42 VanDerWaalsContact OD1-N 3.11Å; R40-R42 PolarHBondContact O-N 2.82Å; R42-F44 PolarHBondContact O-N 3.01Å; R42-A45 HydrophobicContact CB-CB 3.65Å; R42-A45 HydrophobicContact CG-CB 4.31Å; R42-A45 PolarHBondContact O-N 3.41Å; R42-E89 IonicContact CZ-OE1 3.94Å; R42-E89 IonicContact CZ-OE2 3.01Å; R42-E89 IonicContact NH1-OE1 3.25Å; R42-E89 PolarHBondContact NH1-OE1 3.44Å; R42-E89 IonicContact NH1-OE2 3.96Å; R42-E89 PolarHBondContact NH1-OE2 3.36Å; R42-E89 VanDerWaalsContact NH1-OE2 3.16Å | ||
| 43 | P | 92.6 | Very high | 90.5 | Very high | 52 Ų | 52 | 79.1 Ų | 79.1 | 34% | 0.338 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.4 | 179.6 | 23.9 | -35 | 0 | 0 | 0 | 114.6 | G4 Q6 | G4-P43 WeakPolarHBondContact O-CD 3.18Å; Q6-P43 HydrophobicContact CB-CG 3.98Å |
| 44 | F | 92.6 | Very high | 90.7 | Very high | 108 Ų | 108 | 78.8 Ų | 78.8 | 47% | 0.474 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 4.6 | -177 | -55 | -65.1 | 0 | 0 | 0 | 114.4 | R42 M119 P120 I123 | R42-F44 PolarHBondContact O-N 3.01Å; F44-M119 HydrophobicContact CB-CE 4.22Å; F44-M119 HydrophobicContact CB-CG 4.31Å; F44-P120 VanDerWaalsContact O-CD 3.26Å; F44-P120 WeakPolarHBondContact O-CD 3.14Å; F44-I123 HydrophobicContact CB-CD1 3.83Å; F44-I123 HydrophobicContact CB-CG2 4.11Å; F44-I123 HydrophobicContact CD1-CD1 3.5Å; F44-I123 HydrophobicContact CD2-CD1 4.45Å; F44-I123 HydrophobicContact CD2-CG2 3.83Å; F44-I123 HydrophobicContact CE1-CD1 4.14Å; F44-I123 HydrophobicContact CE2-CG2 4.44Å; F44-I123 HydrophobicContact CG-CD1 3.68Å; F44-I123 HydrophobicContact CG-CG2 3.98Å |
| 45 | A | 92.5 | Very high | 90.6 | Very high | 28 Ų | 28 | 73.9 Ų | 73.9 | 23% | 0.231 | 39% | 0.39 | C | S | . | . | trans | -97.4 | 147.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | R42 T117 I118 | R42-A45 HydrophobicContact CB-CB 3.65Å; R42-A45 HydrophobicContact CG-CB 4.31Å; R42-A45 PolarHBondContact O-N 3.41Å; A45-T117 HydrophobicContact CB-CG2 3.75Å; A45-I118 CarbonylContact C-O 3.6Å; A45-I118 VanDerWaalsContact CA-O 3.26Å; A45-I118 WeakPolarHBondContact CA-O 3.48Å | ||
| 46 | R | 92.4 | Very high | 90.4 | Very high | 131 Ų | 131 | 72.1 Ų | 72.1 | 49% | 0.494 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.4 | 173.6 | -178.1 | 178.2 | 178.2 | -170.4 | -1.7 | 109.3 | V48 I118 | R46-V48 HydrophobicContact CG-CG2 4.45Å; R46-I118 HydrophobicContact CB-CG1 4.18Å; R46-I118 PolarHBondContact N-O 2.96Å; R46-I118 VanDerWaalsContact O-CG1 3.26Å; R46-I118 WeakPolarHBondContact O-CG1 3.46Å; R46-I118 PolarHBondContact O-N 3.18Å |
| 47 | T | 93 | Very high | 90.4 | Very high | 85 Ų | 85 | 71.3 Ų | 71.3 | 52% | 0.521 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 132.2 | 174.8 | -53.4 | 0 | 0 | 0 | 0 | 109.9 | T115 V116 | T47-T115 HydrophobicContact CG2-CG2 3.38Å; T47-V116 CarbonylContact C-O 3.6Å; T47-V116 WeakPolarHBondContact CA-O 3.43Å |
| 48 | V | 93.6 | Very high | 90.4 | Very high | 6 Ų | 6 | 69.2 Ų | 69.2 | 4% | 0.036 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.1 | 176 | -177 | 0 | 0 | 0 | 0 | 108.3 | R46 M50 N79 L81 V116 I118 | R46-V48 HydrophobicContact CG-CG2 4.45Å; V48-M50 HydrophobicContact CG1-CG 4.22Å; V48-N79 HydrophobicContact CG1-CB 3.78Å; V48-L81 HydrophobicContact CB-CD1 4.13Å; V48-L81 HydrophobicContact CG1-CD1 4.18Å; V48-L81 HydrophobicContact CG2-CD1 4.27Å; V48-V116 PolarHBondContact N-O 3.06Å; V48-V116 PolarHBondContact O-N 3.09Å; V48-I118 HydrophobicContact CG2-CD1 4.08Å; V48-I118 HydrophobicContact CG2-CG1 4.41Å |
| 49 | T | 93.1 | Very high | 90.3 | Very high | 72 Ų | 72 | 68.2 Ų | 68.2 | 44% | 0.442 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 134.7 | 174.1 | 47.7 | 0 | 0 | 0 | 0 | 109.4 | N79 L114 T115 | T49-N79 WeakPolarHBondContact O-CB 3.43Å; T49-N79 PolarHBondContact O-ND2 2.8Å; T49-L114 CarbonylContact C-O 3.57Å; T49-L114 WeakPolarHBondContact CA-O 3.49Å; T49-T115 HydrophobicContact CG2-CG2 3.86Å |
| 50 | M | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 152.5 | 179.6 | -64.8 | 173.7 | -79.3 | 0 | 0 | 110.2 | V48 F58 F60 A76 L81 T113 L114 V116 | V48-M50 HydrophobicContact CG1-CG 4.22Å; M50-F58 HydrophobicContact CB-CD1 3.97Å; M50-F60 HydrophobicContact CE-CD1 4.12Å; M50-F60 HydrophobicContact CE-CE1 3.48Å; M50-F60 VanDerWaalsContact CE-CE1 3.48Å; M50-F60 HydrophobicContact CE-CZ 4.02Å; M50-F60 HydrophobicContact SD-CD1 3.85Å; M50-F60 HydrophobicContact SD-CE1 3.76Å; M50-A76 HydrophobicContact SD-CB 3.61Å; M50-L81 HydrophobicContact CE-CD1 4.3Å; M50-L81 HydrophobicContact CE-CD2 4.38Å; M50-L81 HydrophobicContact SD-CD1 4.49Å; M50-L81 HydrophobicContact SD-CD2 4.05Å; M50-T113 WeakPolarHBondContact O-CA 3.43Å; M50-L114 HydrophobicContact CE-CD2 3.89Å; M50-L114 HydrophobicContact CE-CG 4.48Å; M50-L114 PolarHBondContact N-O 3.48Å; M50-L114 PolarHBondContact O-N 2.85Å; M50-V116 HydrophobicContact CE-CB 4.23Å; M50-V116 HydrophobicContact CE-CG2 3.51Å |
| 51 | H | 92.3 | Very high | 90.2 | Very high | 91 Ų | 91 | 65.9 Ų | 65.9 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 146.9 | 177.3 | -64.6 | -86.1 | 0 | 0 | 0 | 110.2 | S75 Q112 | H51-S75 PolarHBondContact N-OG 3.45Å; H51-S75 WeakPolarHBondContact O-CB 3.44Å; H51-S75 PolarHBondContact O-OG 3.06Å; H51-Q112 WeakPolarHBondContact CA-O 3.46Å |
| 52 | R | 89.5 | Confident | 90.1 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 20% | 0.2 | 35% | 0.347 | C | S | . | . | trans | -67.6 | 140.7 | 172.3 | -69 | -169.4 | 169.9 | 172.3 | -0.1 | 110.8 | F58 I107 S108 C110 A111 Q112 | R52-F58 HydrophobicContact CB-CE1 4.26Å; R52-F58 HydrophobicContact CG-CD1 3.93Å; R52-F58 HydrophobicContact CG-CD2 4.39Å; R52-F58 HydrophobicContact CG-CE1 3.29Å; R52-F58 HydrophobicContact CG-CE2 3.83Å; R52-F58 HydrophobicContact CG-CG 4.44Å; R52-F58 HydrophobicContact CG-CZ 3.22Å; R52-F58 VanDerWaalsContact NE-CZ 3.28Å; R52-I107 PolarHBondContact NH2-O 3.02Å; R52-S108 PolarHBondContact NH2-O 3.34Å; R52-C110 PolarHBondContact NH1-O 3.05Å; R52-C110 PolarHBondContact NH2-O 3.33Å; R52-A111 VanDerWaalsContact CD-O 3.29Å; R52-A111 WeakPolarHBondContact CD-O 3.26Å; R52-A111 PolarHBondContact NE-O 3.02Å; R52-Q112 PolarHBondContact N-O 2.86Å; R52-Q112 PolarHBondContact O-NE2 2.68Å | ||
| 53 | D | 87.6 | Confident | 89.9 | Confident | 66 Ų | 66 | 67.2 Ų | 67.2 | 35% | 0.353 | 37% | 0.366 | S | S | . | . | trans | -76.7 | 177 | 163.9 | 63.6 | 19.6 | 0 | 0 | 0 | 111.2 | A55 G56 A57 | D53-A55 PolarHBondContact O-N 3.46Å; D53-A55 VanDerWaalsContact OD1-C 3.27Å; D53-A55 VanDerWaalsContact OD1-CA 3.32Å; D53-A55 WeakPolarHBondContact OD1-CA 3.29Å; D53-A55 WeakPolarHBondContact OD1-CB 3.42Å; D53-A55 PolarHBondContact OD1-N 2.91Å; D53-G56 PolarHBondContact O-N 2.82Å; D53-G56 PolarHBondContact OD1-N 2.78Å; D53-A57 VanDerWaalsContact CG-O 3.23Å; D53-A57 PolarHBondContact N-O 3.49Å; D53-A57 PolarHBondContact OD1-N 2.91Å | ||
| 54 | N | 85 | Confident | 89.4 | Confident | 183 Ų | 183 | 67.7 Ų | 67.7 | 98% | 0.979 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -17.4 | 177.2 | -65.2 | -9.8 | 0 | 0 | 0 | 112.9 | G56 | N54-G56 VanDerWaalsContact C-N 3.32Š|
| 55 | A | 82 | Confident | 89 | Confident | 92 Ų | 92 | 62.7 Ų | 62.7 | 76% | 0.76 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -0 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D53 A57 | D53-A55 PolarHBondContact O-N 3.46Å; D53-A55 VanDerWaalsContact OD1-C 3.27Å; D53-A55 VanDerWaalsContact OD1-CA 3.32Å; D53-A55 WeakPolarHBondContact OD1-CA 3.29Å; D53-A55 WeakPolarHBondContact OD1-CB 3.42Å; D53-A55 PolarHBondContact OD1-N 2.91Å; A55-A57 VanDerWaalsContact C-N 3.33Å |
| 56 | G | 82.4 | Confident | 89 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 41% | 0.412 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 78.5 | 11.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D53 N54 | D53-G56 PolarHBondContact O-N 2.82Å; D53-G56 PolarHBondContact OD1-N 2.78Å; N54-G56 VanDerWaalsContact C-N 3.32Å |
| 57 | A | 88 | Confident | 89 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | trans | -102.4 | 151.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D53 A55 | D53-A57 VanDerWaalsContact CG-O 3.23Å; D53-A57 PolarHBondContact N-O 3.49Å; D53-A57 PolarHBondContact OD1-N 2.91Å; A55-A57 VanDerWaalsContact C-N 3.33Å | ||
| 58 | F | 91 | Very high | 88.9 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | trans | -96.1 | -22.6 | 173 | -62.9 | -77.1 | 0 | 0 | 0 | 112.8 | M50 R52 F60 A76 I107 L114 | M50-F58 HydrophobicContact CB-CD1 3.97Å; R52-F58 HydrophobicContact CB-CE1 4.26Å; R52-F58 HydrophobicContact CG-CD1 3.93Å; R52-F58 HydrophobicContact CG-CD2 4.39Å; R52-F58 HydrophobicContact CG-CE1 3.29Å; R52-F58 HydrophobicContact CG-CE2 3.83Å; R52-F58 HydrophobicContact CG-CG 4.44Å; R52-F58 HydrophobicContact CG-CZ 3.22Å; R52-F58 VanDerWaalsContact NE-CZ 3.28Å; F58-F60 HydrophobicContact CB-CD1 4.09Å; F58-F60 HydrophobicContact CB-CE1 3.73Å; F58-A76 WeakPolarHBondContact O-CB 3.36Å; F58-A76 PolarHBondContact O-N 2.85Å; F58-A76 VanDerWaalsContact O-N 3.09Å; F58-I107 HydrophobicContact CD2-CG2 3.9Å; F58-I107 HydrophobicContact CE2-CG2 3.95Å; F58-L114 HydrophobicContact CB-CD2 4.43Å; F58-L114 HydrophobicContact CD1-CB 3.82Å; F58-L114 HydrophobicContact CD1-CD2 4.21Å; F58-L114 HydrophobicContact CD2-CB 4.32Å; F58-L114 HydrophobicContact CD2-CD2 3.65Å; F58-L114 HydrophobicContact CE1-CB 3.33Å; F58-L114 HydrophobicContact CE1-CD2 4.38Å; F58-L114 HydrophobicContact CE1-CG 4.46Å; F58-L114 HydrophobicContact CE2-CB 3.89Å; F58-L114 HydrophobicContact CE2-CD2 3.84Å; F58-L114 HydrophobicContact CE2-CG 4.33Å; F58-L114 HydrophobicContact CG-CB 4.29Å; F58-L114 HydrophobicContact CG-CD2 3.84Å; F58-L114 HydrophobicContact CZ-CB 3.38Å; F58-L114 HydrophobicContact CZ-CD2 4.22Å; F58-L114 HydrophobicContact CZ-CG 4.29Å | ||
| 59 | G | 90.4 | Very high | 88.9 | Confident | 10 Ų | 10 | 63.6 Ų | 63.6 | 10% | 0.103 | 35% | 0.347 | C | S | . | . | trans | 94.1 | 38.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | V71 S74 | G59-V71 WeakPolarHBondContact O-CB 3.11Å; G59-V71 PolarHBondContact O-N 3.19Å; G59-S74 PolarHBondContact O-OG 2.82Å | ||
| 60 | F | 92.5 | Very high | 88.9 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 13% | 0.132 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 153.9 | 171.6 | 63.1 | -82.2 | 0 | 0 | 0 | 111.4 | M50 F58 L62 I67 H69 I70 A76 L81 I87 I107 L114 | M50-F60 HydrophobicContact CE-CD1 4.12Å; M50-F60 HydrophobicContact CE-CE1 3.48Å; M50-F60 VanDerWaalsContact CE-CE1 3.48Å; M50-F60 HydrophobicContact CE-CZ 4.02Å; M50-F60 HydrophobicContact SD-CD1 3.85Å; M50-F60 HydrophobicContact SD-CE1 3.76Å; F58-F60 HydrophobicContact CB-CD1 4.09Å; F58-F60 HydrophobicContact CB-CE1 3.73Å; F60-L62 HydrophobicContact CD2-CD1 4.43Å; F60-L62 HydrophobicContact CD2-CD2 3.97Å; F60-L62 HydrophobicContact CD2-CG 3.83Å; F60-L62 HydrophobicContact CE2-CD1 3.69Å; F60-L62 HydrophobicContact CE2-CD2 3.77Å; F60-L62 HydrophobicContact CE2-CG 3.57Å; F60-I67 HydrophobicContact CB-CG2 4.45Å; F60-I67 HydrophobicContact CD2-CG1 4.32Å; F60-H69 CarbonylContact C-O 3.59Å; F60-H69 WeakPolarHBondContact CA-O 3.46Å; F60-I70 HydrophobicContact CB-CG1 4.43Å; F60-A76 HydrophobicContact CB-CB 4.13Å; F60-A76 HydrophobicContact CD1-CB 4Å; F60-L81 HydrophobicContact CB-CD2 3.66Å; F60-L81 HydrophobicContact CD1-CD2 3.8Å; F60-L81 HydrophobicContact CD2-CD2 4.03Å; F60-L81 HydrophobicContact CE1-CD2 4.47Å; F60-L81 HydrophobicContact CG-CD2 3.56Å; F60-I87 HydrophobicContact CE2-CD1 4Å; F60-I107 HydrophobicContact CZ-CD1 4.41Å; F60-L114 HydrophobicContact CE1-CD2 3.99Å; F60-L114 HydrophobicContact CZ-CD2 3.96Å |
| 61 | Q | 90.3 | Very high | 88.8 | Confident | 116 Ų | 116 | 64.6 Ų | 64.6 | 54% | 0.542 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.4 | 178.1 | -64.5 | -178.7 | -3.3 | 0 | 0 | 110.8 | K68 H69 | Q61-K68 PolarHBondContact O-N 3.33Å; Q61-H69 HydrophobicContact CB-CB 4.17Å; Q61-H69 HydrophobicContact CG-CB 4.38Å; Q61-H69 PolarHBondContact N-O 2.99Å |
| 62 | L | 89.3 | Confident | 88.7 | Confident | 44 Ų | 44 | 65 Ų | 65 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 139.1 | -179.6 | -69.9 | 170.9 | 0 | 0 | 0 | 111.8 | F60 R66 I67 I87 L103 I107 | F60-L62 HydrophobicContact CD2-CD1 4.43Å; F60-L62 HydrophobicContact CD2-CD2 3.97Å; F60-L62 HydrophobicContact CD2-CG 3.83Å; F60-L62 HydrophobicContact CE2-CD1 3.69Å; F60-L62 HydrophobicContact CE2-CD2 3.77Å; F60-L62 HydrophobicContact CE2-CG 3.57Å; L62-R66 WeakPolarHBondContact CA-O 3.5Å; L62-I67 HydrophobicContact CD2-CG1 3.67Å; L62-I87 HydrophobicContact CD1-CD1 3.88Å; L62-I87 HydrophobicContact CD2-CD1 3.44Å; L62-I87 VanDerWaalsContact CD2-CD1 3.44Å; L62-I87 HydrophobicContact CD2-CG1 4.07Å; L62-I87 HydrophobicContact CG-CD1 4.25Å; L62-L103 HydrophobicContact CD1-CD2 4.19Å; L62-L103 HydrophobicContact CD1-CG 4.44Å; L62-I107 HydrophobicContact CD1-CD1 3.49Å; L62-I107 VanDerWaalsContact CD1-CD1 3.49Å |
| 63 | Y | 86 | Confident | 88.7 | Confident | 145 Ų | 145 | 70.6 Ų | 70.6 | 57% | 0.569 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 113 | 171 | -164.4 | -90.9 | 0 | 0 | 0 | 109.6 | G65 R66 K68 | Y63-G65 PolarHBondContact O-N 3.18Å; Y63-R66 PolarHBondContact N-O 3.06Å; Y63-R66 WeakPolarHBondContact O-CB 3.07Å; Y63-R66 PolarHBondContact O-N 2.76Å; Y63-K68 HydrophobicContact CG-CD 4.12Å |
| 64 | A | 82.1 | Confident | 88.9 | Confident | 62 Ų | 62 | 67.9 Ų | 67.9 | 51% | 0.512 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 31.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R66 Q86 N100 | A64-R66 PolarHBondContact O-N 3.39Å; A64-Q86 PolarHBondContact O-NE2 3.33Å; A64-Q86 PolarHBondContact O-OE1 2.91Å; A64-N100 WeakPolarHBondContact CA-OD1 3.35Å; A64-N100 PolarHBondContact N-ND2 3.06Å; A64-N100 PolarHBondContact N-OD1 3.38Å |
| 65 | G | 83.9 | Confident | 89.2 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | -2.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y63 Q86 I87 N100 | Y63-G65 PolarHBondContact O-N 3.18Å; G65-Q86 VanDerWaalsContact C-NE2 3.29Å; G65-Q86 VanDerWaalsContact CA-NE2 3.34Å; G65-Q86 PolarHBondContact O-NE2 3.11Å; G65-I87 PolarHBondContact O-N 2.8Å; G65-N100 PolarHBondContact N-OD1 2.94Å |
| 66 | R | 91.2 | Very high | 89.7 | Confident | 71 Ų | 71 | 55 Ų | 55 | 27% | 0.268 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 135.1 | 171.2 | -175.3 | 179.7 | 176.8 | -170.3 | -3 | 110.4 | L62 Y63 A64 K68 D84 H85 Y121 | L62-R66 WeakPolarHBondContact CA-O 3.5Å; Y63-R66 PolarHBondContact N-O 3.06Å; Y63-R66 WeakPolarHBondContact O-CB 3.07Å; Y63-R66 PolarHBondContact O-N 2.76Å; A64-R66 PolarHBondContact O-N 3.39Å; R66-K68 PolarHBondContact O-N 2.87Å; R66-D84 IonicContact CZ-OD1 3.95Å; R66-D84 IonicContact CZ-OD2 2.86Å; R66-D84 IonicContact NE-OD1 2.96Å; R66-D84 PolarHBondContact NE-OD1 3.12Å; R66-D84 IonicContact NH2-OD1 2.67Å; R66-D84 PolarHBondContact NH2-OD1 3.49Å; R66-D84 IonicContact NH2-OD2 2.93Å; R66-D84 PolarHBondContact NH2-OD2 3.39Å; R66-H85 CarbonylContact C-O 3.6Å; R66-H85 WeakPolarHBondContact CA-O 3.37Å; R66-Y121 HydrophobicContact CB-CD2 4.41Å; R66-Y121 HydrophobicContact CG-CD2 4.12Å; R66-Y121 HydrophobicContact CG-CG 4.44Å |
| 67 | I | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 116.1 | 176 | -60.9 | 157.6 | 0 | 0 | 0 | 108.1 | F60 L62 I70 L81 D84 H85 I87 I118 | F60-I67 HydrophobicContact CB-CG2 4.45Å; F60-I67 HydrophobicContact CD2-CG1 4.32Å; L62-I67 HydrophobicContact CD2-CG1 3.67Å; I67-I70 HydrophobicContact CG2-CD1 4.44Å; I67-I70 HydrophobicContact CG2-CG1 4.08Å; I67-L81 HydrophobicContact CD1-CD1 3.81Å; I67-L81 HydrophobicContact CD1-CD2 3.89Å; I67-L81 HydrophobicContact CD1-CG 3.86Å; I67-L81 HydrophobicContact CG1-CD2 4.46Å; I67-L81 HydrophobicContact CG2-CD2 4.19Å; I67-D84 PolarHBondContact O-N 3.29Å; I67-H85 HydrophobicContact CD1-CB 4.41Å; I67-H85 PolarHBondContact N-O 3.04Å; I67-I87 HydrophobicContact CD1-CG1 4.23Å; I67-I87 HydrophobicContact CG1-CG1 4.34Å; I67-I118 HydrophobicContact CD1-CG2 3.85Å |
| 68 | K | 91.7 | Very high | 90.4 | Very high | 107 Ų | 107 | 61.5 Ų | 61.5 | 47% | 0.465 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -35.8 | -177.8 | -79.1 | -166 | 173.5 | -179.8 | 0 | 113.9 | Q61 Y63 R66 V83 | Q61-K68 PolarHBondContact O-N 3.33Å; Y63-K68 HydrophobicContact CG-CD 4.12Å; R66-K68 PolarHBondContact O-N 2.87Å; K68-V83 WeakPolarHBondContact O-CG1 3.49Å |
| 69 | H | 92.4 | Very high | 90.4 | Very high | 92 Ų | 92 | 63.9 Ų | 63.9 | 43% | 0.426 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 144.2 | -176 | -173.4 | -83.9 | 0 | 0 | 0 | 109.7 | F60 Q61 | F60-H69 CarbonylContact C-O 3.59Å; F60-H69 WeakPolarHBondContact CA-O 3.46Å; Q61-H69 HydrophobicContact CB-CB 4.17Å; Q61-H69 HydrophobicContact CG-CB 4.38Å; Q61-H69 PolarHBondContact N-O 2.99Å |
| 70 | I | 93.1 | Very high | 90.4 | Very high | 30 Ų | 30 | 64.7 Ų | 64.7 | 15% | 0.154 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.5 | 177.5 | -60.8 | 174 | 0 | 0 | 0 | 107.3 | F60 I67 P72 A76 A77 L81 V83 | F60-I70 HydrophobicContact CB-CG1 4.43Å; I67-I70 HydrophobicContact CG2-CD1 4.44Å; I67-I70 HydrophobicContact CG2-CG1 4.08Å; I70-P72 WeakPolarHBondContact O-CD 3.38Å; I70-A76 HydrophobicContact CG2-CB 3.96Å; I70-A77 HydrophobicContact CG2-CB 4.01Å; I70-L81 VanDerWaalsContact CD1-C 3.47Å; I70-L81 HydrophobicContact CD1-CB 4.08Å; I70-L81 HydrophobicContact CD1-CG 4.38Å; I70-L81 WeakPolarHBondContact CD1-O 3.5Å; I70-V83 HydrophobicContact CD1-CG2 3.87Å; I70-V83 HydrophobicContact CG1-CG2 3.99Å |
| 71 | V | 92.1 | Very high | 90.4 | Very high | 63 Ų | 63 | 63.6 Ų | 63.6 | 38% | 0.382 | 32% | 0.324 | S | S | . | . | trans | -74.7 | 124.2 | -179.6 | -178 | 0 | 0 | 0 | 0 | 108.4 | G59 S74 | G59-V71 WeakPolarHBondContact O-CB 3.11Å; G59-V71 PolarHBondContact O-N 3.19Å; V71-S74 VanDerWaalsContact O-CB 3.29Å; V71-S74 WeakPolarHBondContact O-CB 3.48Å; V71-S74 PolarHBondContact O-N 3.3Å; V71-S74 PolarHBondContact O-OG 3.14Å | ||
| 72 | P | 89.7 | Confident | 90.5 | Very high | 100 Ų | 100 | 61.5 Ų | 61.5 | 65% | 0.649 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 148.2 | 173.7 | -23.1 | 33 | 0 | 0 | 0 | 111.4 | I70 S74 | I70-P72 WeakPolarHBondContact O-CD 3.38Å; P72-S74 PolarHBondContact O-N 3.38Å; P72-S74 VanDerWaalsContact O-N 3.09Å |
| 73 | Q | 89 | Confident | 90.7 | Very high | 170 Ų | 170 | 62.8 Ų | 62.8 | 79% | 0.794 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 4.8 | -178.5 | -55.7 | -62.5 | -17.5 | 0 | 0 | 116.6 | ||
| 74 | S | 91.5 | Very high | 91 | Very high | 9 Ų | 9 | 59.3 Ų | 59.3 | 6% | 0.063 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -83.2 | 169 | 175.9 | 71.6 | 0 | 0 | 0 | 0 | 113.8 | G59 V71 P72 A76 A77 R78 | G59-S74 PolarHBondContact O-OG 2.82Å; V71-S74 VanDerWaalsContact O-CB 3.29Å; V71-S74 WeakPolarHBondContact O-CB 3.48Å; V71-S74 PolarHBondContact O-N 3.3Å; V71-S74 PolarHBondContact O-OG 3.14Å; P72-S74 PolarHBondContact O-N 3.38Å; P72-S74 VanDerWaalsContact O-N 3.09Å; S74-A76 PolarHBondContact O-N 3.02Å; S74-A76 PolarHBondContact OG-N 3.09Å; S74-A77 PolarHBondContact O-N 3.07Å; S74-A77 PolarHBondContact OG-N 3.21Å; S74-R78 PolarHBondContact O-N 2.83Å |
| 75 | S | 91.6 | Very high | 91.6 | Very high | 6 Ų | 6 | 57.8 Ų | 57.8 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -31.1 | 173.2 | -165.7 | 0 | 0 | 0 | 0 | 112.6 | H51 R78 N79 | H51-S75 PolarHBondContact N-OG 3.45Å; H51-S75 WeakPolarHBondContact O-CB 3.44Å; H51-S75 PolarHBondContact O-OG 3.06Å; S75-R78 PolarHBondContact O-N 3.26Å; S75-N79 WeakPolarHBondContact O-CB 3.2Å; S75-N79 PolarHBondContact O-N 3.42Å; S75-N79 VanDerWaalsContact O-N 3.07Å; S75-N79 PolarHBondContact O-ND2 3.39Å; S75-N79 PolarHBondContact OG-ND2 3.2Å |
| 76 | A | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | M50 F58 F60 I70 S74 G80 L81 | M50-A76 HydrophobicContact SD-CB 3.61Å; F58-A76 WeakPolarHBondContact O-CB 3.36Å; F58-A76 PolarHBondContact O-N 2.85Å; F58-A76 VanDerWaalsContact O-N 3.09Å; F60-A76 HydrophobicContact CB-CB 4.13Å; F60-A76 HydrophobicContact CD1-CB 4Å; I70-A76 HydrophobicContact CG2-CB 3.96Å; S74-A76 PolarHBondContact O-N 3.02Å; S74-A76 PolarHBondContact OG-N 3.09Å; A76-G80 PolarHBondContact O-N 3.39Å; A76-L81 HydrophobicContact CB-CB 4.14Å; A76-L81 HydrophobicContact CB-CD2 3.89Å; A76-L81 VanDerWaalsContact O-CB 3.32Å; A76-L81 WeakPolarHBondContact O-CB 3.47Å; A76-L81 PolarHBondContact O-N 2.82Å |
| 77 | A | 91.8 | Very high | 92.1 | Very high | 44 Ų | 44 | 55 Ų | 55 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I70 S74 N79 G80 | I70-A77 HydrophobicContact CG2-CB 4.01Å; S74-A77 PolarHBondContact O-N 3.07Å; S74-A77 PolarHBondContact OG-N 3.21Å; A77-N79 PolarHBondContact O-N 3.32Å; A77-G80 PolarHBondContact O-N 3.09Å |
| 78 | R | 92.3 | Very high | 92.1 | Very high | 178 Ų | 178 | 55 Ų | 55 | 67% | 0.672 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.4 | -36 | 179.8 | -69.9 | -170 | -62.8 | -143 | 0.5 | 113.7 | S74 S75 G80 | S74-R78 PolarHBondContact O-N 2.83Å; S75-R78 PolarHBondContact O-N 3.26Å; R78-G80 VanDerWaalsContact C-N 3.31Å |
| 79 | N | 92.9 | Very high | 92 | Very high | 61 Ų | 61 | 50.5 Ų | 50.5 | 33% | 0.326 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 5.1 | -179.4 | -65.4 | -57.4 | 0 | 0 | 0 | 113.6 | V48 T49 S75 A77 | V48-N79 HydrophobicContact CG1-CB 3.78Å; T49-N79 WeakPolarHBondContact O-CB 3.43Å; T49-N79 PolarHBondContact O-ND2 2.8Å; S75-N79 WeakPolarHBondContact O-CB 3.2Å; S75-N79 PolarHBondContact O-N 3.42Å; S75-N79 VanDerWaalsContact O-N 3.07Å; S75-N79 PolarHBondContact O-ND2 3.39Å; S75-N79 PolarHBondContact OG-ND2 3.2Å; A77-N79 PolarHBondContact O-N 3.32Å |
| 80 | G | 89.7 | Confident | 92 | Very high | 27 Ų | 27 | 46.3 Ų | 46.3 | 28% | 0.278 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 38.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A76 A77 R78 | A76-G80 PolarHBondContact O-N 3.39Å; A77-G80 PolarHBondContact O-N 3.09Å; R78-G80 VanDerWaalsContact C-N 3.31Å |
| 81 | L | 93 | Very high | 91.7 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | trans | -59.8 | 140.1 | 165.4 | -165.6 | 73.9 | 0 | 0 | 0 | 108.3 | V48 M50 F60 I67 I70 A76 I118 | V48-L81 HydrophobicContact CB-CD1 4.13Å; V48-L81 HydrophobicContact CG1-CD1 4.18Å; V48-L81 HydrophobicContact CG2-CD1 4.27Å; M50-L81 HydrophobicContact CE-CD1 4.3Å; M50-L81 HydrophobicContact CE-CD2 4.38Å; M50-L81 HydrophobicContact SD-CD1 4.49Å; M50-L81 HydrophobicContact SD-CD2 4.05Å; F60-L81 HydrophobicContact CB-CD2 3.66Å; F60-L81 HydrophobicContact CD1-CD2 3.8Å; F60-L81 HydrophobicContact CD2-CD2 4.03Å; F60-L81 HydrophobicContact CE1-CD2 4.47Å; F60-L81 HydrophobicContact CG-CD2 3.56Å; I67-L81 HydrophobicContact CD1-CD1 3.81Å; I67-L81 HydrophobicContact CD1-CD2 3.89Å; I67-L81 HydrophobicContact CD1-CG 3.86Å; I67-L81 HydrophobicContact CG1-CD2 4.46Å; I67-L81 HydrophobicContact CG2-CD2 4.19Å; I70-L81 VanDerWaalsContact CD1-C 3.47Å; I70-L81 HydrophobicContact CD1-CB 4.08Å; I70-L81 HydrophobicContact CD1-CG 4.38Å; I70-L81 WeakPolarHBondContact CD1-O 3.5Å; A76-L81 HydrophobicContact CB-CB 4.14Å; A76-L81 HydrophobicContact CB-CD2 3.89Å; A76-L81 VanDerWaalsContact O-CB 3.32Å; A76-L81 WeakPolarHBondContact O-CB 3.47Å; A76-L81 PolarHBondContact O-N 2.82Å; L81-I118 HydrophobicContact CD1-CD1 4.19Å; L81-I118 HydrophobicContact CD1-CG2 4.2Å | ||
| 82 | L | 91.9 | Very high | 91.3 | Very high | 73 Ų | 73 | 46.9 Ų | 46.9 | 38% | 0.382 | 26% | 0.258 | S | S | . | . | trans | -109.7 | 142.6 | -176.7 | -64.4 | 177 | 0 | 0 | 0 | 111 | H85 | L82-H85 WeakPolarHBondContact CB-CE1 3.46Å; L82-H85 WeakPolarHBondContact CB-ND1 3.32Å | ||
| 83 | V | 93 | Very high | 91.2 | Very high | 71 Ų | 71 | 44.4 Ų | 44.4 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 156.9 | 168.2 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | K68 I70 H85 | K68-V83 WeakPolarHBondContact O-CG1 3.49Å; I70-V83 HydrophobicContact CD1-CG2 3.87Å; I70-V83 HydrophobicContact CG1-CG2 3.99Å; V83-H85 VanDerWaalsContact C-N 3.3Å; V83-H85 PolarHBondContact O-N 3.16Å; V83-H85 PolarHBondContact O-ND1 3.2Å |
| 84 | D | 93 | Very high | 91.2 | Very high | 71 Ų | 71 | 37.6 Ų | 37.6 | 38% | 0.38 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 30.9 | 178.8 | -149.1 | -3.6 | 0 | 0 | 0 | 114.9 | R66 I67 Y121 | R66-D84 IonicContact CZ-OD1 3.95Å; R66-D84 IonicContact CZ-OD2 2.86Å; R66-D84 IonicContact NE-OD1 2.96Å; R66-D84 PolarHBondContact NE-OD1 3.12Å; R66-D84 IonicContact NH2-OD1 2.67Å; R66-D84 PolarHBondContact NH2-OD1 3.49Å; R66-D84 IonicContact NH2-OD2 2.93Å; R66-D84 PolarHBondContact NH2-OD2 3.39Å; I67-D84 PolarHBondContact O-N 3.29Å; D84-Y121 WeakPolarHBondContact O-CB 3.41Å; D84-Y121 PolarHBondContact O-N 3.11Å; D84-Y121 WeakPolarHBondContact OD1-CB 3.48Å |
| 85 | H | 94.3 | Very high | 91.1 | Very high | 31 Ų | 31 | 37.4 Ų | 37.4 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.5 | 174.6 | -70.1 | 60.7 | 0 | 0 | 0 | 110.4 | R66 I67 L82 V83 I118 M119 | R66-H85 CarbonylContact C-O 3.6Å; R66-H85 WeakPolarHBondContact CA-O 3.37Å; I67-H85 HydrophobicContact CD1-CB 4.41Å; I67-H85 PolarHBondContact N-O 3.04Å; L82-H85 WeakPolarHBondContact CB-CE1 3.46Å; L82-H85 WeakPolarHBondContact CB-ND1 3.32Å; V83-H85 VanDerWaalsContact C-N 3.3Å; V83-H85 PolarHBondContact O-N 3.16Å; V83-H85 PolarHBondContact O-ND1 3.2Å; H85-I118 HydrophobicContact CB-CB 4.11Å; H85-I118 HydrophobicContact CB-CD1 4.13Å; H85-M119 CarbonylContact C-O 3.57Å; H85-M119 WeakPolarHBondContact CA-O 3.43Å |
| 86 | Q | 93 | Very high | 90.9 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 7% | 0.065 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.4 | 175.6 | -174.6 | 69.5 | 27.5 | 0 | 0 | 110.2 | A64 G65 I118 M119 F124 | A64-Q86 PolarHBondContact O-NE2 3.33Å; A64-Q86 PolarHBondContact O-OE1 2.91Å; G65-Q86 VanDerWaalsContact C-NE2 3.29Å; G65-Q86 VanDerWaalsContact CA-NE2 3.34Å; G65-Q86 PolarHBondContact O-NE2 3.11Å; Q86-I118 CarbonylContact O-C 3.5Å; Q86-I118 VanDerWaalsContact O-CA 3.29Å; Q86-I118 WeakPolarHBondContact O-CA 3.45Å; Q86-M119 PolarHBondContact N-O 3.3Å; Q86-M119 PolarHBondContact O-N 2.99Å; Q86-F124 HydrophobicContact CB-CB 4.19Å; Q86-F124 HydrophobicContact CB-CD1 4.12Å; Q86-F124 HydrophobicContact CB-CD2 4.29Å; Q86-F124 HydrophobicContact CB-CG 3.94Å; Q86-F124 HydrophobicContact CG-CD1 3.8Å; Q86-F124 HydrophobicContact CG-CD2 3.89Å; Q86-F124 HydrophobicContact CG-CE1 3.82Å; Q86-F124 HydrophobicContact CG-CE2 3.95Å; Q86-F124 HydrophobicContact CG-CG 3.84Å; Q86-F124 HydrophobicContact CG-CZ 3.91Å |
| 87 | I | 93.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 125.5 | 170 | -59.5 | -175.8 | 0 | 0 | 0 | 110.1 | F60 L62 G65 I67 V90 V95 V116 I118 | F60-I87 HydrophobicContact CE2-CD1 4Å; L62-I87 HydrophobicContact CD1-CD1 3.88Å; L62-I87 HydrophobicContact CD2-CD1 3.44Å; L62-I87 VanDerWaalsContact CD2-CD1 3.44Å; L62-I87 HydrophobicContact CD2-CG1 4.07Å; L62-I87 HydrophobicContact CG-CD1 4.25Å; G65-I87 PolarHBondContact O-N 2.8Å; I67-I87 HydrophobicContact CD1-CG1 4.23Å; I67-I87 HydrophobicContact CG1-CG1 4.34Å; I87-V90 HydrophobicContact CG2-CG2 3.83Å; I87-V95 HydrophobicContact CB-CG2 4.4Å; I87-V95 HydrophobicContact CG2-CG2 3.61Å; I87-V116 HydrophobicContact CB-CG1 4.05Å; I87-V116 HydrophobicContact CD1-CG1 3.64Å; I87-V116 HydrophobicContact CG1-CG1 3.59Å; I87-V116 HydrophobicContact CG2-CG1 3.44Å; I87-V116 VanDerWaalsContact CG2-CG1 3.44Å; I87-I118 HydrophobicContact CG1-CG2 4.25Å |
| 88 | I | 91.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -42.3 | 176.7 | -59.8 | 178.6 | 0 | 0 | 0 | 111.1 | F3 N94 V95 V96 T117 M119 | F3-I88 HydrophobicContact CB-CG2 4.39Å; F3-I88 HydrophobicContact CD1-CD1 4.06Å; F3-I88 HydrophobicContact CD1-CG1 4.4Å; F3-I88 HydrophobicContact CD1-CG2 4.11Å; F3-I88 HydrophobicContact CE1-CD1 4.33Å; I88-N94 PolarHBondContact O-OD1 3.21Å; I88-V95 WeakPolarHBondContact O-CG2 3.12Å; I88-V95 PolarHBondContact O-N 2.8Å; I88-V96 HydrophobicContact CB-CG2 4.06Å; I88-V96 HydrophobicContact CG1-CG2 4.27Å; I88-V96 HydrophobicContact CG2-CG2 3.62Å; I88-T117 PolarHBondContact N-O 2.85Å; I88-M119 HydrophobicContact CD1-CB 3.37Å; I88-M119 HydrophobicContact CD1-CE 3.53Å; I88-M119 HydrophobicContact CD1-CG 4.2Å; I88-M119 HydrophobicContact CD1-SD 3.89Å; I88-M119 HydrophobicContact CG1-CB 4.14Å |
| 89 | E | 91.4 | Very high | 89.7 | Confident | 11 Ų | 11 | 30.5 Ų | 30.5 | 5% | 0.051 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 148.1 | 179.1 | -58.5 | 175.5 | 151.6 | 0 | 0 | 111.7 | R2 R42 Q93 V116 T117 | R2-E89 WeakPolarHBondContact CD-OE1 3.42Å; R2-E89 IonicContact CZ-OE1 3.02Å; R2-E89 IonicContact NH1-OE1 2.7Å; R2-E89 PolarHBondContact NH1-OE1 2.96Å; R2-E89 IonicContact NH1-OE2 2.84Å; R42-E89 IonicContact CZ-OE1 3.94Å; R42-E89 IonicContact CZ-OE2 3.01Å; R42-E89 IonicContact NH1-OE1 3.25Å; R42-E89 PolarHBondContact NH1-OE1 3.44Å; R42-E89 IonicContact NH1-OE2 3.96Å; R42-E89 PolarHBondContact NH1-OE2 3.36Å; R42-E89 VanDerWaalsContact NH1-OE2 3.16Å; E89-Q93 CarbonylContact C-O 3.59Å; E89-Q93 WeakPolarHBondContact CA-O 3.25Å; E89-Q93 WeakPolarHBondContact CB-O 3.45Å; E89-V116 WeakPolarHBondContact O-CA 3.4Å; E89-T117 PolarHBondContact N-O 3.21Å; E89-T117 PolarHBondContact O-N 3.35Å; E89-T117 PolarHBondContact OE2-OG1 2.97Å; E89-T117 VanDerWaalsContact OE2-OG1 3.12Å |
| 90 | V | 90.6 | Very high | 89.4 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 118.7 | 171.3 | 175.7 | 0 | 0 | 0 | 0 | 108.2 | I87 G92 Q93 V95 L103 I107 L114 | I87-V90 HydrophobicContact CG2-CG2 3.83Å; V90-G92 PolarHBondContact O-N 3.19Å; V90-G92 VanDerWaalsContact O-N 3.15Å; V90-Q93 PolarHBondContact N-O 3.38Å; V90-Q93 WeakPolarHBondContact O-CB 3.38Å; V90-Q93 PolarHBondContact O-N 3.31Å; V90-V95 HydrophobicContact CB-CG1 3.97Å; V90-V95 HydrophobicContact CG2-CG1 3.83Å; V90-V95 HydrophobicContact CG2-CG2 4.17Å; V90-L103 HydrophobicContact CG2-CD1 3.85Å; V90-I107 HydrophobicContact CG1-CG1 4.32Å; V90-I107 HydrophobicContact CG2-CG1 4.43Å; V90-L114 HydrophobicContact CG1-CD1 3.57Å |
| 91 | N | 87.7 | Confident | 89.2 | Confident | 78 Ų | 78 | 38.4 Ų | 38.4 | 42% | 0.417 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 36.8 | -175.1 | -71.8 | -14.1 | 0 | 0 | 0 | 113.6 | Q93 C110 T115 | N91-Q93 VanDerWaalsContact C-N 3.31Å; N91-Q93 PolarHBondContact O-N 2.88Å; N91-C110 PolarHBondContact ND2-SG 2.93Å; N91-T115 PolarHBondContact N-O 3.39Å; N91-T115 PolarHBondContact OD1-N 3.16Å |
| 92 | G | 83.9 | Confident | 88.9 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | -14.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | V90 P145 | V90-G92 PolarHBondContact O-N 3.19Å; V90-G92 VanDerWaalsContact O-N 3.15Å; G92-P145 WeakPolarHBondContact O-CG 3.41Å |
| 93 | Q | 87.3 | Confident | 88.7 | Confident | 47 Ų | 47 | 42.1 Ų | 42.1 | 22% | 0.22 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 130.3 | 175.7 | -172.5 | 178.6 | 6.5 | 0 | 0 | 110.8 | E89 V90 N91 V95 H142 | E89-Q93 CarbonylContact C-O 3.59Å; E89-Q93 WeakPolarHBondContact CA-O 3.25Å; E89-Q93 WeakPolarHBondContact CB-O 3.45Å; V90-Q93 PolarHBondContact N-O 3.38Å; V90-Q93 WeakPolarHBondContact O-CB 3.38Å; V90-Q93 PolarHBondContact O-N 3.31Å; N91-Q93 VanDerWaalsContact C-N 3.31Å; N91-Q93 PolarHBondContact O-N 2.88Å; Q93-V95 WeakPolarHBondContact O-CG1 3.4Å; Q93-V95 PolarHBondContact O-N 2.64Å; Q93-H142 PolarHBondContact NE2-O 2.72Å |
| 94 | N | 89.1 | Confident | 88.4 | Confident | 28 Ų | 28 | 42.3 Ų | 42.3 | 15% | 0.15 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 127.2 | 176.5 | 175.2 | 27.2 | 0 | 0 | 0 | 111.3 | I88 V96 D141 H142 | I88-N94 PolarHBondContact O-OD1 3.21Å; N94-V96 WeakPolarHBondContact OD1-CG2 3.41Å; N94-V96 PolarHBondContact OD1-N 3.47Å; N94-V96 VanDerWaalsContact OD1-N 3.16Å; N94-D141 WeakPolarHBondContact CB-O 3.35Å; N94-D141 PolarHBondContact ND2-O 2.97Å; N94-D141 VanDerWaalsContact ND2-O 3.09Å; N94-H142 PolarHBondContact O-ND1 2.98Å |
| 95 | V | 89.4 | Confident | 88.1 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | trans | -118.3 | 4.9 | -177.1 | -52.8 | 0 | 0 | 0 | 0 | 114.4 | I87 I88 V90 Q93 G97 I98 L103 M106 | I87-V95 HydrophobicContact CB-CG2 4.4Å; I87-V95 HydrophobicContact CG2-CG2 3.61Å; I88-V95 WeakPolarHBondContact O-CG2 3.12Å; I88-V95 PolarHBondContact O-N 2.8Å; V90-V95 HydrophobicContact CB-CG1 3.97Å; V90-V95 HydrophobicContact CG2-CG1 3.83Å; V90-V95 HydrophobicContact CG2-CG2 4.17Å; Q93-V95 WeakPolarHBondContact O-CG1 3.4Å; Q93-V95 PolarHBondContact O-N 2.64Å; V95-G97 PolarHBondContact O-N 3.28Å; V95-I98 HydrophobicContact CB-CD1 4.13Å; V95-I98 HydrophobicContact CG1-CD1 4.28Å; V95-I98 WeakPolarHBondContact O-CB 3.47Å; V95-I98 PolarHBondContact O-N 3.11Å; V95-I98 VanDerWaalsContact O-N 3.09Å; V95-L103 HydrophobicContact CB-CD1 3.78Å; V95-L103 HydrophobicContact CG1-CD1 3.86Å; V95-L103 HydrophobicContact CG2-CD1 3.8Å; V95-M106 HydrophobicContact CB-CE 4.19Å; V95-M106 HydrophobicContact CG1-CE 3.43Å; V95-M106 VanDerWaalsContact CG1-CE 3.43Å | ||
| 96 | V | 87.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 118.3 | 180 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | F3 I88 N94 F124 M136 M140 H142 | F3-V96 HydrophobicContact CB-CG2 4.4Å; F3-V96 HydrophobicContact CD1-CG2 4.01Å; F3-V96 HydrophobicContact CG-CG2 4.21Å; I88-V96 HydrophobicContact CB-CG2 4.06Å; I88-V96 HydrophobicContact CG1-CG2 4.27Å; I88-V96 HydrophobicContact CG2-CG2 3.62Å; N94-V96 WeakPolarHBondContact OD1-CG2 3.41Å; N94-V96 PolarHBondContact OD1-N 3.47Å; N94-V96 VanDerWaalsContact OD1-N 3.16Å; V96-F124 HydrophobicContact CG1-CE2 3.83Å; V96-F124 HydrophobicContact CG1-CZ 4.05Å; V96-M136 HydrophobicContact CG1-CE 3.34Å; V96-M140 HydrophobicContact CB-CE 3.79Å; V96-M140 HydrophobicContact CB-SD 3.88Å; V96-M140 HydrophobicContact CG1-CE 3.39Å; V96-M140 HydrophobicContact CG1-SD 3.67Å; V96-H142 PolarHBondContact O-CE1 3.41Å |
| 97 | G | 83.8 | Confident | 87.4 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91 | -6.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | V95 | V95-G97 PolarHBondContact O-N 3.28Š|
| 98 | I | 84.8 | Confident | 87.1 | Confident | 27 Ų | 27 | 48.9 Ų | 48.9 | 14% | 0.138 | 27% | 0.266 | C | S | . | . | trans | -71.2 | 134.2 | 172.4 | -62.2 | -173.5 | 0 | 0 | 0 | 109.8 | V95 K102 L103 M106 H142 | V95-I98 HydrophobicContact CB-CD1 4.13Å; V95-I98 HydrophobicContact CG1-CD1 4.28Å; V95-I98 WeakPolarHBondContact O-CB 3.47Å; V95-I98 PolarHBondContact O-N 3.11Å; V95-I98 VanDerWaalsContact O-N 3.09Å; I98-K102 HydrophobicContact CG2-CB 3.43Å; I98-K102 VanDerWaalsContact CG2-CB 3.43Å; I98-K102 HydrophobicContact CG2-CD 4.35Å; I98-L103 HydrophobicContact CG2-CB 4.42Å; I98-M106 HydrophobicContact CD1-CE 3.74Å; I98-M106 HydrophobicContact CD1-SD 4.36Å; I98-M106 HydrophobicContact CG2-CE 4.21Å; I98-H142 HydrophobicContact CD1-CB 4.32Å; I98-H142 VanDerWaalsContact CG1-CE1 3.49Å; I98-H142 WeakPolarHBondContact CG1-CE1 3.48Å | ||
| 99 | G | 83.5 | Confident | 86.7 | Confident | 27 Ų | 27 | 53 Ų | 53 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | trans | -66.5 | 147.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | K101 K102 L103 | G99-K101 PolarHBondContact O-N 3.43Å; G99-K102 PolarHBondContact O-N 2.8Å; G99-L103 PolarHBondContact O-N 2.92Å; G99-L103 VanDerWaalsContact O-N 3.09Å | ||
| 100 | N | 85.3 | Confident | 86.2 | Confident | 63 Ų | 63 | 53.2 Ų | 53.2 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -48.7 | -38.4 | -175.3 | -67.8 | -21.6 | 0 | 0 | 0 | 114.7 | A64 G65 L103 T104 | A64-N100 WeakPolarHBondContact CA-OD1 3.35Å; A64-N100 PolarHBondContact N-ND2 3.06Å; A64-N100 PolarHBondContact N-OD1 3.38Å; G65-N100 PolarHBondContact N-OD1 2.94Å; N100-L103 PolarHBondContact O-N 2.96Å; N100-T104 WeakPolarHBondContact O-CB 3.05Å; N100-T104 PolarHBondContact O-N 2.8Å; N100-T104 PolarHBondContact O-OG1 2.99Å |
| 101 | K | 86.4 | Confident | 85.7 | Confident | 190 Ų | 190 | 56.6 Ų | 56.6 | 83% | 0.826 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.8 | -47.6 | 179 | -65 | -172.5 | 179.3 | -176.5 | 0 | 112.1 | G99 T104 H105 | G99-K101 PolarHBondContact O-N 3.43Å; K101-T104 PolarHBondContact O-N 2.97Å; K101-H105 WeakPolarHBondContact O-CB 3.23Å; K101-H105 PolarHBondContact O-N 2.99Å |
| 102 | K | 86 | Confident | 85.6 | Confident | 157 Ų | 157 | 58.1 Ų | 58.1 | 68% | 0.683 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67 | -41.6 | 178 | -74.7 | -172.7 | 179.6 | -173.8 | 0 | 111 | I98 G99 H105 M106 | I98-K102 HydrophobicContact CG2-CB 3.43Å; I98-K102 VanDerWaalsContact CG2-CB 3.43Å; I98-K102 HydrophobicContact CG2-CD 4.35Å; G99-K102 PolarHBondContact O-N 2.8Å; K102-H105 PolarHBondContact O-N 3.49Å; K102-M106 WeakPolarHBondContact O-CG 3.35Å; K102-M106 PolarHBondContact O-N 2.85Å |
| 103 | L | 88.3 | Confident | 85.9 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 176.5 | -177.4 | 58.9 | 0 | 0 | 0 | 112 | L62 V90 V95 I98 G99 N100 H105 M106 I107 | L62-L103 HydrophobicContact CD1-CD2 4.19Å; L62-L103 HydrophobicContact CD1-CG 4.44Å; V90-L103 HydrophobicContact CG2-CD1 3.85Å; V95-L103 HydrophobicContact CB-CD1 3.78Å; V95-L103 HydrophobicContact CG1-CD1 3.86Å; V95-L103 HydrophobicContact CG2-CD1 3.8Å; I98-L103 HydrophobicContact CG2-CB 4.42Å; G99-L103 PolarHBondContact O-N 2.92Å; G99-L103 VanDerWaalsContact O-N 3.09Å; N100-L103 PolarHBondContact O-N 2.96Å; L103-H105 VanDerWaalsContact C-N 3.32Å; L103-H105 PolarHBondContact O-N 2.69Å; L103-M106 HydrophobicContact CD1-CE 3.85Å; L103-M106 PolarHBondContact O-N 2.86Å; L103-I107 HydrophobicContact CD1-CD1 4.31Å; L103-I107 HydrophobicContact CG-CD1 4.19Å; L103-I107 WeakPolarHBondContact O-CG1 3.38Å; L103-I107 PolarHBondContact O-N 3.42Å; L103-I107 VanDerWaalsContact O-N 3.08Å |
| 104 | T | 86.7 | Confident | 86.1 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 46% | 0.46 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 176.1 | -52 | 0 | 0 | 0 | 0 | 110.6 | N100 K101 M106 I107 S108 | N100-T104 WeakPolarHBondContact O-CB 3.05Å; N100-T104 PolarHBondContact O-N 2.8Å; N100-T104 PolarHBondContact O-OG1 2.99Å; K101-T104 PolarHBondContact O-N 2.97Å; T104-M106 PolarHBondContact O-N 2.99Å; T104-I107 PolarHBondContact O-N 3.28Å; T104-S108 PolarHBondContact O-N 2.96Å; T104-S108 PolarHBondContact O-OG 2.88Å; T104-S108 VanDerWaalsContact O-OG 3.13Å |
| 105 | H | 86.6 | Confident | 86.3 | Confident | 124 Ų | 124 | 58.8 Ų | 58.8 | 57% | 0.574 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 177.2 | -171.4 | 15.2 | 0 | 0 | 0 | 112.8 | K101 K102 L103 I107 S108 C109 | K101-H105 WeakPolarHBondContact O-CB 3.23Å; K101-H105 PolarHBondContact O-N 2.99Å; K102-H105 PolarHBondContact O-N 3.49Å; L103-H105 VanDerWaalsContact C-N 3.32Å; L103-H105 PolarHBondContact O-N 2.69Å; H105-I107 VanDerWaalsContact C-N 3.33Å; H105-I107 PolarHBondContact O-N 3.45Å; H105-S108 PolarHBondContact O-N 2.78Å; H105-C109 PolarHBondContact CE1-SG 3.48Å; H105-C109 PolarHBondContact ND1-SG 3.2Å; H105-C109 VanDerWaalsContact ND1-SG 3.36Å; H105-C109 PolarHBondContact O-N 3.12Å; H105-C109 PolarHBondContact O-SG 3.03Å; H105-C109 VanDerWaalsContact O-SG 3.36Å |
| 106 | M | 85.3 | Confident | 86.4 | Confident | 40 Ų | 40 | 58.5 Ų | 58.5 | 20% | 0.197 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 175.7 | -71.7 | -173.2 | -55.6 | 0 | 0 | 112 | V95 I98 K102 L103 T104 C109 C110 | V95-M106 HydrophobicContact CB-CE 4.19Å; V95-M106 HydrophobicContact CG1-CE 3.43Å; V95-M106 VanDerWaalsContact CG1-CE 3.43Å; I98-M106 HydrophobicContact CD1-CE 3.74Å; I98-M106 HydrophobicContact CD1-SD 4.36Å; I98-M106 HydrophobicContact CG2-CE 4.21Å; K102-M106 WeakPolarHBondContact O-CG 3.35Å; K102-M106 PolarHBondContact O-N 2.85Å; L103-M106 HydrophobicContact CD1-CE 3.85Å; L103-M106 PolarHBondContact O-N 2.86Å; T104-M106 PolarHBondContact O-N 2.99Å; M106-C109 PolarHBondContact O-N 3.09Å; M106-C110 PolarHBondContact O-N 2.83Å; M106-C110 PolarHBondContact O-SG 3.28Å |
| 107 | I | 87.5 | Confident | 86.7 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 9% | 0.087 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 176.2 | -66.3 | 167 | 0 | 0 | 0 | 111.1 | R52 F58 F60 L62 V90 L103 T104 H105 C110 L114 | R52-I107 PolarHBondContact NH2-O 3.02Å; F58-I107 HydrophobicContact CD2-CG2 3.9Å; F58-I107 HydrophobicContact CE2-CG2 3.95Å; F60-I107 HydrophobicContact CZ-CD1 4.41Å; L62-I107 HydrophobicContact CD1-CD1 3.49Å; L62-I107 VanDerWaalsContact CD1-CD1 3.49Å; V90-I107 HydrophobicContact CG1-CG1 4.32Å; V90-I107 HydrophobicContact CG2-CG1 4.43Å; L103-I107 HydrophobicContact CD1-CD1 4.31Å; L103-I107 HydrophobicContact CG-CD1 4.19Å; L103-I107 WeakPolarHBondContact O-CG1 3.38Å; L103-I107 PolarHBondContact O-N 3.42Å; L103-I107 VanDerWaalsContact O-N 3.08Å; T104-I107 PolarHBondContact O-N 3.28Å; H105-I107 VanDerWaalsContact C-N 3.33Å; H105-I107 PolarHBondContact O-N 3.45Å; I107-C110 WeakPolarHBondContact O-CB 3.48Å; I107-C110 PolarHBondContact O-N 3.09Å; I107-L114 HydrophobicContact CG1-CD1 4.29Å; I107-L114 HydrophobicContact CG2-CD1 4.35Å; I107-L114 HydrophobicContact CG2-CD2 3.85Å |
| 108 | S | 85.5 | Confident | 87.2 | Confident | 73 Ų | 73 | 57.6 Ų | 57.6 | 51% | 0.51 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.2 | -30.6 | 175.6 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | R52 T104 H105 C110 | R52-S108 PolarHBondContact NH2-O 3.34Å; T104-S108 PolarHBondContact O-N 2.96Å; T104-S108 PolarHBondContact O-OG 2.88Å; T104-S108 VanDerWaalsContact O-OG 3.13Å; H105-S108 PolarHBondContact O-N 2.78Å; S108-C110 VanDerWaalsContact C-N 3.32Å |
| 109 | C | 84.8 | Confident | 87.6 | Confident | 87 Ų | 87 | 56.3 Ų | 56.3 | 59% | 0.588 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -78.3 | -13.1 | 176.6 | -72.3 | 0 | 0 | 0 | 0 | 114.2 | H105 M106 | H105-C109 PolarHBondContact CE1-SG 3.48Å; H105-C109 PolarHBondContact ND1-SG 3.2Å; H105-C109 VanDerWaalsContact ND1-SG 3.36Å; H105-C109 PolarHBondContact O-N 3.12Å; H105-C109 PolarHBondContact O-SG 3.03Å; H105-C109 VanDerWaalsContact O-SG 3.36Å; M106-C109 PolarHBondContact O-N 3.09Å |
| 110 | C | 80.5 | Confident | 88.1 | Confident | 17 Ų | 17 | 56.7 Ų | 56.7 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | trans | -62.2 | 154.5 | 175.8 | -66.5 | 0 | 0 | 0 | 0 | 110.8 | R52 N91 M106 I107 S108 L114 | R52-C110 PolarHBondContact NH1-O 3.05Å; R52-C110 PolarHBondContact NH2-O 3.33Å; N91-C110 PolarHBondContact ND2-SG 2.93Å; M106-C110 PolarHBondContact O-N 2.83Å; M106-C110 PolarHBondContact O-SG 3.28Å; I107-C110 WeakPolarHBondContact O-CB 3.48Å; I107-C110 PolarHBondContact O-N 3.09Å; S108-C110 VanDerWaalsContact C-N 3.32Å; C110-L114 HydrophobicContact CB-CD1 4.3Å | ||
| 111 | A | 79.1 | Confident | 88.5 | Confident | 76 Ų | 76 | 57 Ų | 57 | 63% | 0.628 | 31% | 0.307 | S | S | * | . | trans | -77.3 | -134.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | R52 T113 | R52-A111 VanDerWaalsContact CD-O 3.29Å; R52-A111 WeakPolarHBondContact CD-O 3.26Å; R52-A111 PolarHBondContact NE-O 3.02Å; A111-T113 VanDerWaalsContact C-N 3.33Å; A111-T113 PolarHBondContact O-N 3.18Å | ||
| 112 | Q | 87.2 | Confident | 88.8 | Confident | 109 Ų | 109 | 51.4 Ų | 51.4 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -72.5 | -25.2 | -179.5 | -168.2 | 60.4 | 21.1 | 0 | 0 | 113.4 | H51 R52 | H51-Q112 WeakPolarHBondContact CA-O 3.46Å; R52-Q112 PolarHBondContact N-O 2.86Å; R52-Q112 PolarHBondContact O-NE2 2.68Å |
| 113 | T | 89.8 | Confident | 89 | Confident | 69 Ų | 69 | 45.9 Ų | 45.9 | 42% | 0.423 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 140.6 | -172.8 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | M50 A111 | M50-T113 WeakPolarHBondContact O-CA 3.43Å; A111-T113 VanDerWaalsContact C-N 3.33Å; A111-T113 PolarHBondContact O-N 3.18Å |
| 114 | L | 91.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 113.4 | 174.9 | 179.8 | 74.7 | 0 | 0 | 0 | 109.3 | T49 M50 F58 F60 V90 I107 C110 V116 | T49-L114 CarbonylContact C-O 3.57Å; T49-L114 WeakPolarHBondContact CA-O 3.49Å; M50-L114 HydrophobicContact CE-CD2 3.89Å; M50-L114 HydrophobicContact CE-CG 4.48Å; M50-L114 PolarHBondContact N-O 3.48Å; M50-L114 PolarHBondContact O-N 2.85Å; F58-L114 HydrophobicContact CB-CD2 4.43Å; F58-L114 HydrophobicContact CD1-CB 3.82Å; F58-L114 HydrophobicContact CD1-CD2 4.21Å; F58-L114 HydrophobicContact CD2-CB 4.32Å; F58-L114 HydrophobicContact CD2-CD2 3.65Å; F58-L114 HydrophobicContact CE1-CB 3.33Å; F58-L114 HydrophobicContact CE1-CD2 4.38Å; F58-L114 HydrophobicContact CE1-CG 4.46Å; F58-L114 HydrophobicContact CE2-CB 3.89Å; F58-L114 HydrophobicContact CE2-CD2 3.84Å; F58-L114 HydrophobicContact CE2-CG 4.33Å; F58-L114 HydrophobicContact CG-CB 4.29Å; F58-L114 HydrophobicContact CG-CD2 3.84Å; F58-L114 HydrophobicContact CZ-CB 3.38Å; F58-L114 HydrophobicContact CZ-CD2 4.22Å; F58-L114 HydrophobicContact CZ-CG 4.29Å; F60-L114 HydrophobicContact CE1-CD2 3.99Å; F60-L114 HydrophobicContact CZ-CD2 3.96Å; V90-L114 HydrophobicContact CG1-CD1 3.57Å; I107-L114 HydrophobicContact CG1-CD1 4.29Å; I107-L114 HydrophobicContact CG2-CD1 4.35Å; I107-L114 HydrophobicContact CG2-CD2 3.85Å; C110-L114 HydrophobicContact CB-CD1 4.3Å; L114-V116 HydrophobicContact CD1-CG2 4.32Å; L114-V116 HydrophobicContact CD2-CG2 3.74Å; L114-V116 HydrophobicContact CG-CG2 3.64Å |
| 115 | T | 92.3 | Very high | 89.3 | Confident | 46 Ų | 46 | 47.8 Ų | 47.8 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 116.7 | 174.2 | -53.7 | 0 | 0 | 0 | 0 | 108.4 | T47 T49 N91 | T47-T115 HydrophobicContact CG2-CG2 3.38Å; T49-T115 HydrophobicContact CG2-CG2 3.86Å; N91-T115 PolarHBondContact N-O 3.39Å; N91-T115 PolarHBondContact OD1-N 3.16Å |
| 116 | V | 92.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.4 | -178.4 | -172 | 0 | 0 | 0 | 0 | 109.4 | T47 V48 M50 I87 E89 L114 I118 | T47-V116 CarbonylContact C-O 3.6Å; T47-V116 WeakPolarHBondContact CA-O 3.43Å; V48-V116 PolarHBondContact N-O 3.06Å; V48-V116 PolarHBondContact O-N 3.09Å; M50-V116 HydrophobicContact CE-CB 4.23Å; M50-V116 HydrophobicContact CE-CG2 3.51Å; I87-V116 HydrophobicContact CB-CG1 4.05Å; I87-V116 HydrophobicContact CD1-CG1 3.64Å; I87-V116 HydrophobicContact CG1-CG1 3.59Å; I87-V116 HydrophobicContact CG2-CG1 3.44Å; I87-V116 VanDerWaalsContact CG2-CG1 3.44Å; E89-V116 WeakPolarHBondContact O-CA 3.4Å; L114-V116 HydrophobicContact CD1-CG2 4.32Å; L114-V116 HydrophobicContact CD2-CG2 3.74Å; L114-V116 HydrophobicContact CG-CG2 3.64Å; V116-I118 HydrophobicContact CG1-CG2 3.74Å |
| 117 | T | 93.3 | Very high | 89.5 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 117.8 | 170.2 | -52.2 | 0 | 0 | 0 | 0 | 108.3 | A45 I88 E89 | A45-T117 HydrophobicContact CB-CG2 3.75Å; I88-T117 PolarHBondContact N-O 2.85Å; E89-T117 PolarHBondContact N-O 3.21Å; E89-T117 PolarHBondContact O-N 3.35Å; E89-T117 PolarHBondContact OE2-OG1 2.97Å; E89-T117 VanDerWaalsContact OE2-OG1 3.12Å |
| 118 | I | 93.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 149.9 | -176.1 | 61.6 | 167.6 | 0 | 0 | 0 | 111.9 | A45 R46 V48 I67 L81 H85 Q86 I87 V116 | A45-I118 CarbonylContact C-O 3.6Å; A45-I118 VanDerWaalsContact CA-O 3.26Å; A45-I118 WeakPolarHBondContact CA-O 3.48Å; R46-I118 HydrophobicContact CB-CG1 4.18Å; R46-I118 PolarHBondContact N-O 2.96Å; R46-I118 VanDerWaalsContact O-CG1 3.26Å; R46-I118 WeakPolarHBondContact O-CG1 3.46Å; R46-I118 PolarHBondContact O-N 3.18Å; V48-I118 HydrophobicContact CG2-CD1 4.08Å; V48-I118 HydrophobicContact CG2-CG1 4.41Å; I67-I118 HydrophobicContact CD1-CG2 3.85Å; L81-I118 HydrophobicContact CD1-CD1 4.19Å; L81-I118 HydrophobicContact CD1-CG2 4.2Å; H85-I118 HydrophobicContact CB-CB 4.11Å; H85-I118 HydrophobicContact CB-CD1 4.13Å; Q86-I118 CarbonylContact O-C 3.5Å; Q86-I118 VanDerWaalsContact O-CA 3.29Å; Q86-I118 WeakPolarHBondContact O-CA 3.45Å; I87-I118 HydrophobicContact CG1-CG2 4.25Å; V116-I118 HydrophobicContact CG1-CG2 3.74Å |
| 119 | M | 93.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 142.8 | 173.5 | 176.2 | -175.3 | -76.1 | 0 | 0 | 109.8 | F3 F44 H85 Q86 I88 Y121 I123 F124 L127 | F3-M119 HydrophobicContact CE1-SD 4.38Å; F44-M119 HydrophobicContact CB-CE 4.22Å; F44-M119 HydrophobicContact CB-CG 4.31Å; H85-M119 CarbonylContact C-O 3.57Å; H85-M119 WeakPolarHBondContact CA-O 3.43Å; Q86-M119 PolarHBondContact N-O 3.3Å; Q86-M119 PolarHBondContact O-N 2.99Å; I88-M119 HydrophobicContact CD1-CB 3.37Å; I88-M119 HydrophobicContact CD1-CE 3.53Å; I88-M119 HydrophobicContact CD1-CG 4.2Å; I88-M119 HydrophobicContact CD1-SD 3.89Å; I88-M119 HydrophobicContact CG1-CB 4.14Å; M119-Y121 PolarHBondContact O-N 3.01Å; M119-I123 HydrophobicContact CG-CB 4.32Å; M119-I123 HydrophobicContact CG-CG2 4.35Å; M119-I123 HydrophobicContact SD-CB 4.44Å; M119-I123 HydrophobicContact SD-CG2 4Å; M119-F124 HydrophobicContact SD-CB 4.27Å; M119-L127 HydrophobicContact CE-CD1 4.04Å; M119-L127 HydrophobicContact SD-CD1 3.79Å |
| 120 | P | 94.8 | Very high | 88.8 | Confident | 36 Ų | 36 | 63.2 Ų | 63.2 | 23% | 0.234 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 133.8 | 175.1 | -26.2 | 34.5 | 0 | 0 | 0 | 111.9 | F44 S122 I123 F124 | F44-P120 VanDerWaalsContact O-CD 3.26Å; F44-P120 WeakPolarHBondContact O-CD 3.14Å; P120-S122 VanDerWaalsContact C-N 3.26Å; P120-S122 PolarHBondContact O-N 2.73Å; P120-I123 HydrophobicContact CB-CD1 4.23Å; P120-I123 HydrophobicContact CB-CG1 4.3Å; P120-I123 HydrophobicContact CG-CD1 4.11Å; P120-I123 PolarHBondContact O-N 3.48Å; P120-I123 VanDerWaalsContact O-N 3.12Å; P120-F124 PolarHBondContact O-N 2.85Å |
| 121 | Y | 92.3 | Very high | 88.4 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.9 | -33.7 | -174.8 | -174.4 | -103.8 | 0 | 0 | 0 | 112.7 | R66 D84 M119 I123 F124 E125 | R66-Y121 HydrophobicContact CB-CD2 4.41Å; R66-Y121 HydrophobicContact CG-CD2 4.12Å; R66-Y121 HydrophobicContact CG-CG 4.44Å; D84-Y121 WeakPolarHBondContact O-CB 3.41Å; D84-Y121 PolarHBondContact O-N 3.11Å; D84-Y121 WeakPolarHBondContact OD1-CB 3.48Å; M119-Y121 PolarHBondContact O-N 3.01Å; Y121-I123 VanDerWaalsContact C-N 3.29Å; Y121-I123 PolarHBondContact O-N 2.98Å; Y121-F124 HydrophobicContact CD2-CD1 4.28Å; Y121-F124 HydrophobicContact CE2-CD1 4.26Å; Y121-F124 PolarHBondContact O-N 2.82Å; Y121-E125 WeakPolarHBondContact O-CB 3.48Å; Y121-E125 PolarHBondContact O-N 2.93Å |
| 122 | S | 92 | Very high | 88.1 | Confident | 74 Ų | 74 | 66 Ų | 66 | 52% | 0.517 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.1 | -33.3 | 176.8 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | P120 K126 | P120-S122 VanDerWaalsContact C-N 3.26Å; P120-S122 PolarHBondContact O-N 2.73Å; S122-K126 WeakPolarHBondContact O-CG 3.39Å; S122-K126 PolarHBondContact O-N 3.18Å |
| 123 | I | 91.9 | Very high | 87.2 | Confident | 40 Ų | 40 | 66 Ų | 66 | 21% | 0.205 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -79.8 | -44.8 | 176.4 | -60.5 | 178.2 | 0 | 0 | 0 | 109.4 | F44 M119 P120 Y121 E125 K126 L127 | F44-I123 HydrophobicContact CB-CD1 3.83Å; F44-I123 HydrophobicContact CB-CG2 4.11Å; F44-I123 HydrophobicContact CD1-CD1 3.5Å; F44-I123 HydrophobicContact CD2-CD1 4.45Å; F44-I123 HydrophobicContact CD2-CG2 3.83Å; F44-I123 HydrophobicContact CE1-CD1 4.14Å; F44-I123 HydrophobicContact CE2-CG2 4.44Å; F44-I123 HydrophobicContact CG-CD1 3.68Å; F44-I123 HydrophobicContact CG-CG2 3.98Å; M119-I123 HydrophobicContact CG-CB 4.32Å; M119-I123 HydrophobicContact CG-CG2 4.35Å; M119-I123 HydrophobicContact SD-CB 4.44Å; M119-I123 HydrophobicContact SD-CG2 4Å; P120-I123 HydrophobicContact CB-CD1 4.23Å; P120-I123 HydrophobicContact CB-CG1 4.3Å; P120-I123 HydrophobicContact CG-CD1 4.11Å; P120-I123 PolarHBondContact O-N 3.48Å; P120-I123 VanDerWaalsContact O-N 3.12Å; Y121-I123 VanDerWaalsContact C-N 3.29Å; Y121-I123 PolarHBondContact O-N 2.98Å; I123-E125 VanDerWaalsContact C-N 3.32Å; I123-E125 PolarHBondContact O-N 3.13Å; I123-K126 PolarHBondContact O-N 3.24Å; I123-L127 HydrophobicContact CG2-CD1 4.27Å; I123-L127 WeakPolarHBondContact O-CG 3.49Å; I123-L127 PolarHBondContact O-N 3.36Å |
| 124 | F | 91.1 | Very high | 86.1 | Confident | 11 Ų | 11 | 64.7 Ų | 64.7 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -53.6 | -51.1 | 175.3 | -179.3 | -104.6 | 0 | 0 | 0 | 110.7 | F3 Q86 V96 M119 P120 Y121 K126 L127 I128 M136 | F3-F124 AromaticContact CE1-CD2 3.58Å; F3-F124 HydrophobicContact CE1-CD2 3.58Å; F3-F124 AromaticContact CE1-CE2 3.67Å; F3-F124 HydrophobicContact CE1-CE2 3.67Å; F3-F124 AromaticContact CZ-CD2 3.8Å; F3-F124 HydrophobicContact CZ-CD2 3.8Å; F3-F124 AromaticContact CZ-CE2 3.72Å; F3-F124 HydrophobicContact CZ-CE2 3.72Å; Q86-F124 HydrophobicContact CB-CB 4.19Å; Q86-F124 HydrophobicContact CB-CD1 4.12Å; Q86-F124 HydrophobicContact CB-CD2 4.29Å; Q86-F124 HydrophobicContact CB-CG 3.94Å; Q86-F124 HydrophobicContact CG-CD1 3.8Å; Q86-F124 HydrophobicContact CG-CD2 3.89Å; Q86-F124 HydrophobicContact CG-CE1 3.82Å; Q86-F124 HydrophobicContact CG-CE2 3.95Å; Q86-F124 HydrophobicContact CG-CG 3.84Å; Q86-F124 HydrophobicContact CG-CZ 3.91Å; V96-F124 HydrophobicContact CG1-CE2 3.83Å; V96-F124 HydrophobicContact CG1-CZ 4.05Å; M119-F124 HydrophobicContact SD-CB 4.27Å; P120-F124 PolarHBondContact O-N 2.85Å; Y121-F124 HydrophobicContact CD2-CD1 4.28Å; Y121-F124 HydrophobicContact CE2-CD1 4.26Å; Y121-F124 PolarHBondContact O-N 2.82Å; F124-K126 VanDerWaalsContact C-N 3.31Å; F124-K126 PolarHBondContact O-N 3.08Å; F124-L127 WeakPolarHBondContact O-CB 3.32Å; F124-L127 PolarHBondContact O-N 2.92Å; F124-I128 HydrophobicContact CD1-CD1 3.67Å; F124-I128 HydrophobicContact CD1-CG1 4Å; F124-I128 HydrophobicContact CE1-CD1 3.26Å; F124-I128 HydrophobicContact CE1-CG1 3.88Å; F124-I128 HydrophobicContact CE2-CG2 4.33Å; F124-I128 HydrophobicContact CG-CG1 4.44Å; F124-I128 HydrophobicContact CZ-CD1 3.86Å; F124-I128 HydrophobicContact CZ-CG1 4.2Å; F124-I128 HydrophobicContact CZ-CG2 4.19Å; F124-I128 WeakPolarHBondContact O-CG1 3.39Å; F124-I128 PolarHBondContact O-N 3.35Å; F124-M136 HydrophobicContact CZ-CE 4.33Å |
| 125 | E | 90 | Very high | 85.2 | Confident | 106 Ų | 106 | 68.3 Ų | 68.3 | 50% | 0.495 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.7 | -42.2 | 178.6 | -171.3 | 179.4 | 179.3 | 0 | 0 | 112.5 | Y121 I123 L127 I128 K129 | Y121-E125 WeakPolarHBondContact O-CB 3.48Å; Y121-E125 PolarHBondContact O-N 2.93Å; I123-E125 VanDerWaalsContact C-N 3.32Å; I123-E125 PolarHBondContact O-N 3.13Å; E125-L127 PolarHBondContact O-N 3.23Å; E125-I128 PolarHBondContact O-N 2.92Å; E125-K129 WeakPolarHBondContact O-CB 3.29Å; E125-K129 PolarHBondContact O-N 3.46Å |
| 126 | K | 88.9 | Confident | 84.1 | Confident | 170 Ų | 170 | 67.2 Ų | 67.2 | 74% | 0.739 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.5 | -40 | 175.3 | -74.2 | -180 | -180 | -176 | 0 | 112.6 | S122 I123 F124 | S122-K126 WeakPolarHBondContact O-CG 3.39Å; S122-K126 PolarHBondContact O-N 3.18Å; I123-K126 PolarHBondContact O-N 3.24Å; F124-K126 VanDerWaalsContact C-N 3.31Å; F124-K126 PolarHBondContact O-N 3.08Å |
| 127 | L | 86.8 | Confident | 83 | Confident | 77 Ų | 77 | 75.4 Ų | 75.4 | 40% | 0.403 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.2 | -37.2 | 179.9 | -67.8 | 174.5 | 0 | 0 | 0 | 112.7 | F3 M119 I123 F124 E125 | F3-L127 HydrophobicContact CE1-CD1 4.15Å; F3-L127 HydrophobicContact CE2-CB 4.49Å; F3-L127 HydrophobicContact CZ-CB 3.93Å; F3-L127 HydrophobicContact CZ-CD1 4.05Å; M119-L127 HydrophobicContact CE-CD1 4.04Å; M119-L127 HydrophobicContact SD-CD1 3.79Å; I123-L127 HydrophobicContact CG2-CD1 4.27Å; I123-L127 WeakPolarHBondContact O-CG 3.49Å; I123-L127 PolarHBondContact O-N 3.36Å; F124-L127 WeakPolarHBondContact O-CB 3.32Å; F124-L127 PolarHBondContact O-N 2.92Å; E125-L127 PolarHBondContact O-N 3.23Å |
| 128 | I | 85.9 | Confident | 82.1 | Confident | 37 Ų | 37 | 84 Ų | 84 | 19% | 0.19 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -90.1 | -9.5 | -179.6 | 41.3 | 148.1 | 0 | 0 | 0 | 114.5 | F3 F124 E125 R130 L131 M136 | F3-I128 HydrophobicContact CE2-CG2 4.21Å; F3-I128 HydrophobicContact CZ-CG2 4.18Å; F124-I128 HydrophobicContact CD1-CD1 3.67Å; F124-I128 HydrophobicContact CD1-CG1 4Å; F124-I128 HydrophobicContact CE1-CD1 3.26Å; F124-I128 HydrophobicContact CE1-CG1 3.88Å; F124-I128 HydrophobicContact CE2-CG2 4.33Å; F124-I128 HydrophobicContact CG-CG1 4.44Å; F124-I128 HydrophobicContact CZ-CD1 3.86Å; F124-I128 HydrophobicContact CZ-CG1 4.2Å; F124-I128 HydrophobicContact CZ-CG2 4.19Å; F124-I128 WeakPolarHBondContact O-CG1 3.39Å; F124-I128 PolarHBondContact O-N 3.35Å; E125-I128 PolarHBondContact O-N 2.92Å; I128-R130 PolarHBondContact O-N 3.46Å; I128-L131 HydrophobicContact CG2-CD1 4.09Å; I128-L131 PolarHBondContact O-N 3.14Å; I128-M136 HydrophobicContact CB-SD 4.32Å; I128-M136 HydrophobicContact CG2-CE 3.53Å; I128-M136 HydrophobicContact CG2-SD 3.58Å; I128-M136 VanDerWaalsContact CG2-SD 3.58Å |
| 129 | K | 81.9 | Confident | 81.2 | Confident | 183 Ų | 183 | 91.2 Ų | 91.2 | 80% | 0.796 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -31.4 | -178 | -167.5 | 173.8 | -179 | 179.2 | 0 | 113.8 | E125 | E125-K129 WeakPolarHBondContact O-CB 3.29Å; E125-K129 PolarHBondContact O-N 3.46Å |
| 130 | R | 74.2 | Confident | 80.4 | Confident | 198 Ų | 198 | 93 Ų | 93 | 75% | 0.747 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -2.3 | 177.2 | -65.9 | -170.7 | 177.9 | -177.8 | -0.7 | 114.2 | I128 | I128-R130 PolarHBondContact O-N 3.46Š|
| 131 | L | 73.8 | Confident | 79.5 | Confident | 71 Ų | 71 | 96.4 Ų | 96.4 | 37% | 0.372 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -98.2 | 123.5 | -178.1 | -77 | 163.7 | 0 | 0 | 0 | 111 | I128 S133 L135 M136 | I128-L131 HydrophobicContact CG2-CD1 4.09Å; I128-L131 PolarHBondContact O-N 3.14Å; L131-S133 PolarHBondContact O-N 3.28Å; L131-L135 HydrophobicContact CD2-CD2 4.19Å; L131-M136 HydrophobicContact CB-CG 4.37Å |
| 132 | P | 72.7 | Confident | 78.7 | Confident | 82 Ų | 82 | 95.4 Ų | 95.4 | 53% | 0.532 | 47% | 0.474 | S | S | . | . | trans | -61.6 | 131.4 | 172.1 | -17.5 | 28.6 | 0 | 0 | 0 | 110.6 | G134 L135 M136 | P132-G134 PolarHBondContact O-N 3.15Å; P132-G134 VanDerWaalsContact O-N 3.11Å; P132-L135 HydrophobicContact CB-CB 4.21Å; P132-L135 HydrophobicContact CG-CB 4.38Å; P132-L135 WeakPolarHBondContact O-CB 3.49Å; P132-L135 PolarHBondContact O-N 3.43Å; P132-M136 PolarHBondContact O-N 2.81Å | ||
| 133 | S | 66.7 | Low | 77.7 | Confident | 107 Ų | 107 | 94.8 Ų | 94.8 | 75% | 0.748 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -56.5 | -30.9 | 179.7 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | L131 | L131-S133 PolarHBondContact O-N 3.28Å |
| 134 | G | 68.4 | Low | 76.5 | Confident | 43 Ų | 43 | 97.5 Ų | 97.5 | 44% | 0.443 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.8 | -32.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P132 K138 | P132-G134 PolarHBondContact O-N 3.15Å; P132-G134 VanDerWaalsContact O-N 3.11Å; G134-K138 PolarHBondContact O-N 2.93Å |
| 135 | L | 71.3 | Confident | 74.8 | Confident | 77 Ų | 77 | 98.8 Ų | 98.8 | 40% | 0.403 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.9 | -42.2 | 178.4 | -161.1 | 82.3 | 0 | 0 | 0 | 110.2 | L131 P132 R137 K138 M139 | L131-L135 HydrophobicContact CD2-CD2 4.19Å; P132-L135 HydrophobicContact CB-CB 4.21Å; P132-L135 HydrophobicContact CG-CB 4.38Å; P132-L135 WeakPolarHBondContact O-CB 3.49Å; P132-L135 PolarHBondContact O-N 3.43Å; L135-R137 VanDerWaalsContact C-N 3.34Å; L135-R137 PolarHBondContact O-N 2.8Å; L135-K138 PolarHBondContact O-N 3.15Å; L135-M139 HydrophobicContact CD1-CG 4.41Å; L135-M139 HydrophobicContact CD1-SD 3.68Å; L135-M139 HydrophobicContact CG-SD 4.01Å; L135-M139 PolarHBondContact O-N 3.46Å |
| 136 | M | 70.3 | Confident | 72.9 | Confident | 22 Ų | 22 | 100.1 Ų | 100.1 | 11% | 0.108 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -56.4 | -46.9 | 178.2 | -66.5 | -180 | 68.5 | 0 | 0 | 112.1 | V96 F124 I128 L131 P132 K138 M140 | V96-M136 HydrophobicContact CG1-CE 3.34Å; F124-M136 HydrophobicContact CZ-CE 4.33Å; I128-M136 HydrophobicContact CB-SD 4.32Å; I128-M136 HydrophobicContact CG2-CE 3.53Å; I128-M136 HydrophobicContact CG2-SD 3.58Å; I128-M136 VanDerWaalsContact CG2-SD 3.58Å; L131-M136 HydrophobicContact CB-CG 4.37Å; P132-M136 PolarHBondContact O-N 2.81Å; M136-K138 VanDerWaalsContact C-N 3.31Å; M136-K138 PolarHBondContact O-N 2.92Å; M136-M140 HydrophobicContact CB-SD 3.87Å; M136-M140 HydrophobicContact CE-CE 4.21Å; M136-M140 HydrophobicContact CE-SD 4.07Å; M136-M140 HydrophobicContact CG-SD 4.23Å; M136-M140 VanDerWaalsContact O-CB 3.25Å; M136-M140 WeakPolarHBondContact O-CB 3.41Å; M136-M140 WeakPolarHBondContact O-CG 3.4Å; M136-M140 PolarHBondContact O-N 2.8Å |
| 137 | R | 69.8 | Low | 70.6 | Confident | 172 Ų | 172 | 101.9 Ų | 101.9 | 65% | 0.649 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.6 | -23.6 | -177.3 | -168 | -179.3 | -92.3 | -169.6 | -1 | 113.4 | L135 | L135-R137 VanDerWaalsContact C-N 3.34Å; L135-R137 PolarHBondContact O-N 2.8Å |
| 138 | K | 73.8 | Confident | 68.3 | Low | 190 Ų | 190 | 104.9 Ų | 104.9 | 83% | 0.826 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -96.2 | -39.2 | -176.7 | -77.2 | -174.1 | 177.9 | -178.4 | 0 | 113.8 | G134 L135 M136 | G134-K138 PolarHBondContact O-N 2.93Å; L135-K138 PolarHBondContact O-N 3.15Å; M136-K138 VanDerWaalsContact C-N 3.31Å; M136-K138 PolarHBondContact O-N 2.92Å |
| 139 | M | 75.1 | Confident | 66.2 | Low | 151 Ų | 151 | 107.9 Ų | 107.9 | 74% | 0.744 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -102.8 | -16.5 | -170.8 | -78.1 | -170.2 | 147.3 | 0 | 0 | 114.3 | L135 D141 | L135-M139 HydrophobicContact CD1-CG 4.41Å; L135-M139 HydrophobicContact CD1-SD 3.68Å; L135-M139 HydrophobicContact CG-SD 4.01Å; L135-M139 PolarHBondContact O-N 3.46Å; M139-D141 PolarHBondContact O-N 3.23Å |
| 140 | M | 75.7 | Confident | 64.6 | Low | 37 Ų | 37 | 101.8 Ų | 101.8 | 18% | 0.182 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -70.9 | 127.1 | 175.6 | -77.4 | 167.2 | 142.1 | 0 | 0 | 110.4 | F3 V96 M136 H142 | F3-M140 HydrophobicContact CB-CE 4.28Å; F3-M140 HydrophobicContact CD2-CE 3.45Å; F3-M140 VanDerWaalsContact CD2-CE 3.45Å; F3-M140 HydrophobicContact CE2-CE 4.06Å; F3-M140 HydrophobicContact CG-CE 4.04Å; V96-M140 HydrophobicContact CB-CE 3.79Å; V96-M140 HydrophobicContact CB-SD 3.88Å; V96-M140 HydrophobicContact CG1-CE 3.39Å; V96-M140 HydrophobicContact CG1-SD 3.67Å; M136-M140 HydrophobicContact CB-SD 3.87Å; M136-M140 HydrophobicContact CE-CE 4.21Å; M136-M140 HydrophobicContact CE-SD 4.07Å; M136-M140 HydrophobicContact CG-SD 4.23Å; M136-M140 VanDerWaalsContact O-CB 3.25Å; M136-M140 WeakPolarHBondContact O-CB 3.41Å; M136-M140 WeakPolarHBondContact O-CG 3.4Å; M136-M140 PolarHBondContact O-N 2.8Å; M140-H142 PolarHBondContact O-CD2 3.36Å; M140-H142 PolarHBondContact O-N 3.24Å |
| 141 | D | 76.6 | Confident | 63.5 | Low | 109 Ų | 109 | 99.9 Ų | 99.9 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | trans | -69.1 | 117.3 | 173.3 | -170.3 | 8.7 | 0 | 0 | 0 | 109.4 | N94 M139 S143 | N94-D141 WeakPolarHBondContact CB-O 3.35Å; N94-D141 PolarHBondContact ND2-O 2.97Å; N94-D141 VanDerWaalsContact ND2-O 3.09Å; M139-D141 PolarHBondContact O-N 3.23Å; D141-S143 WeakPolarHBondContact OD1-CA 3.01Å; D141-S143 WeakPolarHBondContact OD1-CB 3.04Å; D141-S143 PolarHBondContact OD1-N 3.35Å; D141-S143 PolarHBondContact OD1-OG 2.77Å; D141-S143 PolarHBondContact OD2-OG 2.89Å | ||
| 142 | H | 76 | Confident | 62.5 | Low | 47 Ų | 47 | 105.9 Ų | 105.9 | 22% | 0.218 | 53% | 0.531 | C | S | . | . | trans | -108.1 | 7.6 | 173.1 | -61.1 | -52.7 | 0 | 0 | 0 | 111.5 | Q93 N94 V96 I98 M140 | Q93-H142 PolarHBondContact NE2-O 2.72Å; N94-H142 PolarHBondContact O-ND1 2.98Å; V96-H142 PolarHBondContact O-CE1 3.41Å; I98-H142 HydrophobicContact CD1-CB 4.32Å; I98-H142 VanDerWaalsContact CG1-CE1 3.49Å; I98-H142 WeakPolarHBondContact CG1-CE1 3.48Å; M140-H142 PolarHBondContact O-CD2 3.36Å; M140-H142 PolarHBondContact O-N 3.24Å | ||
| 143 | S | 71.7 | Confident | 61.8 | Low | 60 Ų | 60 | 108.9 Ų | 108.9 | 42% | 0.42 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -56.4 | 142.5 | 172.8 | 72.8 | 0 | 0 | 0 | 0 | 108.8 | D141 P145 | D141-S143 WeakPolarHBondContact OD1-CA 3.01Å; D141-S143 WeakPolarHBondContact OD1-CB 3.04Å; D141-S143 PolarHBondContact OD1-N 3.35Å; D141-S143 PolarHBondContact OD1-OG 2.77Å; D141-S143 PolarHBondContact OD2-OG 2.89Å; S143-P145 WeakPolarHBondContact O-CD 3.46Å; S143-P145 VanDerWaalsContact O-N 3.15Å |
| 144 | V | 66 | Low | 61.5 | Low | 97 Ų | 97 | 104.8 Ų | 104.8 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 121.5 | 171.8 | -176.2 | 0 | 0 | 0 | 0 | 105.1 | N146 | V144-N146 PolarHBondContact O-N 2.8Š|
| 145 | P | 56.1 | Low | 61.2 | Low | 38 Ų | 38 | 103.8 Ų | 103.8 | 25% | 0.247 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 122.2 | -176.4 | -14.9 | 19.8 | 0 | 0 | 0 | 108.2 | G92 S143 W147 | G92-P145 WeakPolarHBondContact O-CG 3.41Å; S143-P145 WeakPolarHBondContact O-CD 3.46Å; S143-P145 VanDerWaalsContact O-N 3.15Å; P145-W147 HydrophobicContact CB-CG 4.46Å; P145-W147 PolarHBondContact O-N 3.03Å |
| 146 | N | 49.4 | Very low | 60.9 | Low | 134 Ų | 134 | 105.3 Ų | 105.3 | 72% | 0.717 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -64.6 | 10.2 | -179.5 | -85.7 | -22 | 0 | 0 | 0 | 113.8 | V144 N148 | V144-N146 PolarHBondContact O-N 2.8Å; N146-N148 VanDerWaalsContact C-N 3.26Å; N146-N148 PolarHBondContact O-N 2.95Å |
| 147 | W | 39.8 | Very low | 61.4 | Low | 208 Ų | 208 | 108.2 Ų | 108.2 | 79% | 0.788 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 88.3 | 164.9 | -55.1 | 91.1 | 0 | 0 | 0 | 107.6 | P145 | P145-W147 HydrophobicContact CB-CG 4.46Å; P145-W147 PolarHBondContact O-N 3.03Å |
| 148 | N | 38.5 | Very low | 61.9 | Low | 139 Ų | 139 | 101.3 Ų | 101.3 | 74% | 0.743 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 57.5 | -174.6 | -54.6 | -29.1 | 0 | 0 | 0 | 115.3 | N146 S150 | N146-N148 VanDerWaalsContact C-N 3.26Å; N146-N148 PolarHBondContact O-N 2.95Å; N148-S150 PolarHBondContact O-N 2.9Å |
| 149 | M | 41.8 | Very low | 62.4 | Low | 101 Ų | 101 | 95.7 Ų | 95.7 | 50% | 0.498 | 49% | 0.489 | S | S | . | . | trans | -71.6 | 78.7 | 133.5 | -155.9 | 154.9 | 85.7 | 0 | 0 | 105.2 | R151 K153 | M149-R151 PolarHBondContact O-N 3.17Å; M149-K153 HydrophobicContact CG-CB 4.11Å; M149-K153 HydrophobicContact CG-CD 4.06Å | ||
| 150 | S | 49 | Very low | 62.7 | Low | 54 Ų | 54 | 91.2 Ų | 91.2 | 38% | 0.378 | 47% | 0.468 | S | S | . | . | trans | -45.8 | 135.8 | -175.2 | -62.9 | 0 | 0 | 0 | 0 | 108 | N148 R152 K153 | N148-S150 PolarHBondContact O-N 2.9Å; S150-R152 CarbonylContact O-C 3.6Å; S150-R152 WeakPolarHBondContact O-CA 3.43Å; S150-R152 PolarHBondContact O-N 3.26Å; S150-K153 PolarHBondContact O-N 2.76Å | ||
| 151 | R | 51.2 | Low | 63.1 | Low | 159 Ų | 159 | 89.4 Ų | 89.4 | 60% | 0.6 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -36.5 | -32.5 | 171.7 | -78.3 | -178.8 | 174.3 | -173.3 | -7.3 | 112.5 | M149 K153 V154 S155 E174 E175 | M149-R151 PolarHBondContact O-N 3.17Å; R151-K153 PolarHBondContact O-N 2.74Å; R151-V154 PolarHBondContact O-N 3.27Å; R151-V154 VanDerWaalsContact O-N 3.17Å; R151-S155 PolarHBondContact O-N 3.11Å; R151-S155 PolarHBondContact O-OG 3.24Å; R151-E174 IonicContact CZ-OE2 3.59Å; R151-E174 IonicContact NH1-OE2 2.77Å; R151-E174 PolarHBondContact NH1-OE2 3.17Å; R151-E175 WeakPolarHBondContact CD-OE1 3.5Å; R151-E175 IonicContact NE-OE1 3.22Å |
| 152 | R | 53.4 | Low | 63.4 | Low | 196 Ų | 196 | 89.8 Ų | 89.8 | 74% | 0.74 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -40.6 | -44.8 | 165.9 | -61.7 | -170.7 | -176.4 | -176.2 | 1.6 | 117 | S150 S155 C156 | S150-R152 CarbonylContact O-C 3.6Å; S150-R152 WeakPolarHBondContact O-CA 3.43Å; S150-R152 PolarHBondContact O-N 3.26Å; R152-S155 VanDerWaalsContact CA-OG 3.3Å; R152-S155 WeakPolarHBondContact CA-OG 3.3Å; R152-S155 PolarHBondContact O-OG 3.39Å; R152-C156 PolarHBondContact O-N 3.22Å; R152-C156 VanDerWaalsContact O-N 3.1Å; R152-C156 PolarHBondContact O-SG 3.1Å |
| 153 | K | 57.2 | Low | 63.8 | Low | 145 Ų | 145 | 93.1 Ų | 93.1 | 63% | 0.63 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -74.8 | -32.2 | -178.1 | -79 | -172.9 | 179.1 | 177.4 | 0 | 112.7 | M149 S150 R151 | M149-K153 HydrophobicContact CG-CB 4.11Å; M149-K153 HydrophobicContact CG-CD 4.06Å; S150-K153 PolarHBondContact O-N 2.76Å; R151-K153 PolarHBondContact O-N 2.74Å |
| 154 | V | 59.7 | Low | 64.4 | Low | 21 Ų | 21 | 93.3 Ų | 93.3 | 13% | 0.127 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -72.6 | -40.8 | 173.8 | -179 | 0 | 0 | 0 | 0 | 109.6 | R151 C156 N157 L160 L161 Y172 | R151-V154 PolarHBondContact O-N 3.27Å; R151-V154 VanDerWaalsContact O-N 3.17Å; V154-C156 VanDerWaalsContact C-N 3.28Å; V154-C156 PolarHBondContact O-N 3.35Å; V154-N157 PolarHBondContact O-N 2.92Å; V154-L160 HydrophobicContact CG2-CD2 4.37Å; V154-L161 HydrophobicContact CG1-CD1 4.16Å; V154-Y172 HydrophobicContact CG1-CE1 4.23Å |
| 155 | S | 61.8 | Low | 65.3 | Low | 23 Ų | 23 | 88.7 Ų | 88.7 | 16% | 0.161 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65 | -29.5 | 177.3 | 68 | 0 | 0 | 0 | 0 | 113.1 | R151 R152 Q179 | R151-S155 PolarHBondContact O-N 3.11Å; R151-S155 PolarHBondContact O-OG 3.24Å; R152-S155 VanDerWaalsContact CA-OG 3.3Å; R152-S155 WeakPolarHBondContact CA-OG 3.3Å; R152-S155 PolarHBondContact O-OG 3.39Å; S155-Q179 PolarHBondContact O-NE2 3.39Å |
| 156 | C | 66 | Low | 66.6 | Low | 109 Ų | 109 | 89.3 Ų | 89.3 | 74% | 0.736 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -76.3 | -20.1 | 175.6 | -67.7 | 0 | 0 | 0 | 0 | 114.9 | R152 V154 | R152-C156 PolarHBondContact O-N 3.22Å; R152-C156 VanDerWaalsContact O-N 3.1Å; R152-C156 PolarHBondContact O-SG 3.1Å; V154-C156 VanDerWaalsContact C-N 3.28Å; V154-C156 PolarHBondContact O-N 3.35Å |
| 157 | N | 80.3 | Confident | 68.3 | Low | 83 Ų | 83 | 87.6 Ų | 87.6 | 44% | 0.444 | 44% | 0.437 | S | S | . | . | trans | -108.5 | 93.8 | -178.6 | -170.1 | -24.4 | 0 | 0 | 0 | 111 | V154 A159 L160 L161 | V154-N157 PolarHBondContact O-N 2.92Å; N157-A159 PolarHBondContact O-N 3.46Å; N157-A159 VanDerWaalsContact O-N 3.17Å; N157-A159 PolarHBondContact OD1-N 2.96Å; N157-L160 HydrophobicContact CB-CB 4.18Å; N157-L160 PolarHBondContact O-N 3.17Å; N157-L160 VanDerWaalsContact O-N 3.16Å; N157-L160 PolarHBondContact OD1-N 2.96Å; N157-L161 PolarHBondContact O-N 2.96Å | ||
| 158 | L | 81.7 | Confident | 70.4 | Confident | 27 Ų | 27 | 82.3 Ų | 82.3 | 14% | 0.141 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -57.6 | -30.9 | -176.8 | -60.6 | 176.9 | 0 | 0 | 0 | 113.5 | K162 Q179 E203 V204 F207 | L158-K162 WeakPolarHBondContact O-CB 3.3Å; L158-K162 PolarHBondContact O-N 3.19Å; L158-Q179 HydrophobicContact CD2-CG 4.04Å; L158-E203 HydrophobicContact CD1-CB 3.83Å; L158-V204 HydrophobicContact CD1-CG2 4.1Å; L158-F207 HydrophobicContact CB-CB 4.38Å; L158-F207 HydrophobicContact CB-CD2 4.25Å; L158-F207 HydrophobicContact CB-CG 4.34Å; L158-F207 HydrophobicContact CD1-CB 4.34Å; L158-F207 HydrophobicContact CD2-CB 4.39Å; L158-F207 HydrophobicContact CD2-CD1 4.02Å; L158-F207 HydrophobicContact CD2-CD2 4.44Å; L158-F207 HydrophobicContact CD2-CE1 4.45Å; L158-F207 HydrophobicContact CD2-CG 4.02Å |
| 159 | A | 82.3 | Confident | 72.6 | Confident | 71 Ų | 71 | 77.5 Ų | 77.5 | 59% | 0.587 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -71.3 | -44.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | N157 K162 E163 | N157-A159 PolarHBondContact O-N 3.46Å; N157-A159 VanDerWaalsContact O-N 3.17Å; N157-A159 PolarHBondContact OD1-N 2.96Å; A159-K162 WeakPolarHBondContact O-CB 3.45Å; A159-K162 PolarHBondContact O-N 2.98Å; A159-E163 PolarHBondContact O-N 3.16Å |
| 160 | L | 82.1 | Confident | 74.6 | Confident | 57 Ų | 57 | 79.5 Ų | 79.5 | 30% | 0.298 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 175.8 | -176 | 66.5 | 0 | 0 | 0 | 110.7 | V154 N157 K162 E163 K164 | V154-L160 HydrophobicContact CG2-CD2 4.37Å; N157-L160 HydrophobicContact CB-CB 4.18Å; N157-L160 PolarHBondContact O-N 3.17Å; N157-L160 VanDerWaalsContact O-N 3.16Å; N157-L160 PolarHBondContact OD1-N 2.96Å; L160-K162 VanDerWaalsContact C-N 3.28Å; L160-K162 PolarHBondContact O-N 3.07Å; L160-E163 PolarHBondContact O-N 2.75Å; L160-K164 WeakPolarHBondContact O-CG 3.36Å; L160-K164 PolarHBondContact O-N 2.81Å |
| 161 | L | 84.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 177.1 | -175.5 | 60.8 | 0 | 0 | 0 | 111.5 | V154 N157 K164 L165 Y172 E175 Q179 F207 | V154-L161 HydrophobicContact CG1-CD1 4.16Å; N157-L161 PolarHBondContact O-N 2.96Å; L161-K164 PolarHBondContact O-N 3.19Å; L161-L165 HydrophobicContact CD1-CD1 4.48Å; L161-L165 HydrophobicContact CG-CD1 4.07Å; L161-L165 WeakPolarHBondContact O-CB 3.41Å; L161-L165 WeakPolarHBondContact O-CG 3.47Å; L161-L165 PolarHBondContact O-N 3.36Å; L161-Y172 HydrophobicContact CD1-CD1 4.05Å; L161-Y172 HydrophobicContact CD1-CG 4.42Å; L161-E175 HydrophobicContact CD1-CB 3.76Å; L161-E175 HydrophobicContact CD1-CG 4.41Å; L161-E175 HydrophobicContact CD2-CB 4.22Å; L161-Q179 HydrophobicContact CD2-CG 4.13Å; L161-F207 HydrophobicContact CB-CE2 4.14Å; L161-F207 HydrophobicContact CB-CZ 4.35Å; L161-F207 HydrophobicContact CD2-CE1 4.05Å; L161-F207 HydrophobicContact CD2-CE2 4.01Å; L161-F207 HydrophobicContact CD2-CZ 3.4Å; L161-F207 HydrophobicContact CG-CE2 3.93Å; L161-F207 HydrophobicContact CG-CZ 3.68Å |
| 162 | K | 84.4 | Confident | 77.9 | Confident | 116 Ų | 116 | 75.9 Ų | 75.9 | 50% | 0.504 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 174.2 | 177.3 | -171.7 | 170.3 | -168.5 | 0 | 112.4 | L158 A159 L160 K164 G166 F207 | L158-K162 WeakPolarHBondContact O-CB 3.3Å; L158-K162 PolarHBondContact O-N 3.19Å; A159-K162 WeakPolarHBondContact O-CB 3.45Å; A159-K162 PolarHBondContact O-N 2.98Å; L160-K162 VanDerWaalsContact C-N 3.28Å; L160-K162 PolarHBondContact O-N 3.07Å; K162-K164 VanDerWaalsContact C-N 3.32Å; K162-G166 PolarHBondContact O-N 3.31Å; K162-G166 VanDerWaalsContact O-N 3.1Å; K162-F207 HydrophobicContact CB-CD2 4.2Å; K162-F207 HydrophobicContact CB-CE2 4.16Å |
| 163 | E | 84.4 | Confident | 79.4 | Confident | 117 Ų | 117 | 71.8 Ų | 71.8 | 55% | 0.547 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 177.4 | -172.3 | -176.6 | 166.4 | 0 | 0 | 110.8 | A159 L160 G166 Q167 | A159-E163 PolarHBondContact O-N 3.16Å; L160-E163 PolarHBondContact O-N 2.75Å; E163-G166 WeakPolarHBondContact O-CA 3.45Å; E163-G166 PolarHBondContact O-N 3.17Å; E163-G166 VanDerWaalsContact O-N 3.12Å; E163-Q167 PolarHBondContact O-N 3.12Å; E163-Q167 VanDerWaalsContact O-N 3.17Å |
| 164 | K | 82.9 | Confident | 80.8 | Confident | 64 Ų | 64 | 70.4 Ų | 70.4 | 28% | 0.278 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 178.2 | -70.2 | -59.4 | 178.9 | -172.2 | 0 | 113.8 | L160 L161 K162 G166 Q167 D168 Y172 | L160-K164 WeakPolarHBondContact O-CG 3.36Å; L160-K164 PolarHBondContact O-N 2.81Å; L161-K164 PolarHBondContact O-N 3.19Å; K162-K164 VanDerWaalsContact C-N 3.32Å; K164-G166 PolarHBondContact O-N 2.83Å; K164-Q167 PolarHBondContact O-N 3.38Å; K164-D168 PolarHBondContact O-N 2.99Å; K164-Y172 HydrophobicContact CB-CD1 4.35Å; K164-Y172 HydrophobicContact CB-CD2 3.94Å; K164-Y172 HydrophobicContact CB-CE1 4.06Å; K164-Y172 HydrophobicContact CB-CE2 3.67Å; K164-Y172 HydrophobicContact CB-CG 4.29Å; K164-Y172 HydrophobicContact CD-CE2 4.3Å; K164-Y172 HydrophobicContact CG-CE1 4.37Å; K164-Y172 HydrophobicContact CG-CE2 4.33Å |
| 165 | L | 85.5 | Confident | 82.1 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.7 | -29 | 170.4 | -79.2 | 163.4 | 0 | 0 | 0 | 112.4 | L161 P169 F176 F207 A211 F214 Y215 | L161-L165 HydrophobicContact CD1-CD1 4.48Å; L161-L165 HydrophobicContact CG-CD1 4.07Å; L161-L165 WeakPolarHBondContact O-CB 3.41Å; L161-L165 WeakPolarHBondContact O-CG 3.47Å; L161-L165 PolarHBondContact O-N 3.36Å; L165-P169 WeakPolarHBondContact O-CG 3.34Å; L165-F176 HydrophobicContact CD2-CB 4.49Å; L165-F207 HydrophobicContact CD1-CE2 3.8Å; L165-F207 HydrophobicContact CD1-CZ 3.49Å; L165-F207 VanDerWaalsContact CD1-CZ 3.49Å; L165-A211 HydrophobicContact CD1-CB 4.22Å; L165-F214 HydrophobicContact CB-CD2 4.48Å; L165-F214 HydrophobicContact CB-CE2 4.22Å; L165-F214 WeakPolarHBondContact O-CZ 3.49Å; L165-Y215 HydrophobicContact CD2-CE2 4.23Å |
| 166 | G | 83.5 | Confident | 83.3 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 53% | 0.526 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.6 | -27.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K162 E163 K164 | K162-G166 PolarHBondContact O-N 3.31Å; K162-G166 VanDerWaalsContact O-N 3.1Å; E163-G166 WeakPolarHBondContact O-CA 3.45Å; E163-G166 PolarHBondContact O-N 3.17Å; E163-G166 VanDerWaalsContact O-N 3.12Å; K164-G166 PolarHBondContact O-N 2.83Å |
| 167 | Q | 84.1 | Confident | 84.5 | Confident | 97 Ų | 97 | 66.3 Ų | 66.3 | 45% | 0.453 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -81.4 | -58.8 | 177.1 | -69.6 | 172.4 | -1.1 | 0 | 0 | 110.3 | E163 K164 | E163-Q167 PolarHBondContact O-N 3.12Å; E163-Q167 VanDerWaalsContact O-N 3.17Å; K164-Q167 PolarHBondContact O-N 3.38Å |
| 168 | D | 83.7 | Confident | 84.9 | Confident | 97 Ų | 97 | 66 Ų | 66 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | trans | -136.6 | 91.9 | -175.4 | -68.5 | -46 | 0 | 0 | 0 | 110.8 | K164 E170 Y172 | K164-D168 PolarHBondContact O-N 2.99Å; D168-E170 PolarHBondContact O-N 3.4Å; D168-Y172 WeakPolarHBondContact O-CD2 3.24Å | ||
| 169 | P | 85.3 | Confident | 85.2 | Confident | 38 Ų | 38 | 65.8 Ų | 65.8 | 25% | 0.247 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -39.7 | -178.2 | -22.3 | 30.7 | 0 | 0 | 0 | 113.5 | L165 S171 Y172 F214 Y215 | L165-P169 WeakPolarHBondContact O-CG 3.34Å; P169-S171 PolarHBondContact O-N 3.38Å; P169-Y172 PolarHBondContact O-N 3.27Å; P169-F214 HydrophobicContact CB-CB 4.3Å; P169-F214 HydrophobicContact CB-CD1 3.98Å; P169-F214 HydrophobicContact CB-CG 4.25Å; P169-F214 HydrophobicContact CG-CD1 3.62Å; P169-F214 HydrophobicContact CG-CE1 3.82Å; P169-F214 HydrophobicContact CG-CG 4.34Å; P169-Y215 PolarHBondContact O-OH 3.19Å |
| 170 | E | 84.3 | Confident | 85.5 | Confident | 143 Ų | 143 | 62.8 Ų | 62.8 | 67% | 0.668 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -36.4 | -173.3 | -66.8 | -58.5 | 151.7 | 0 | 0 | 113.1 | D168 Y172 R173 | D168-E170 PolarHBondContact O-N 3.4Å; E170-Y172 PolarHBondContact O-N 3.11Å; E170-R173 WeakPolarHBondContact O-CB 3.37Å |
| 171 | S | 84.6 | Confident | 85.9 | Confident | 82 Ų | 82 | 67.1 Ų | 67.1 | 57% | 0.573 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -30.1 | -175.9 | -56.3 | 0 | 0 | 0 | 0 | 113.7 | P169 | P169-S171 PolarHBondContact O-N 3.38Š|
| 172 | Y | 83.8 | Confident | 86.1 | Confident | 56 Ų | 56 | 71.4 Ų | 71.4 | 22% | 0.22 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 21.5 | -176.3 | -64.1 | -83.9 | 0 | 0 | 0 | 113 | V154 L161 K164 D168 P169 E170 E175 F176 | V154-Y172 HydrophobicContact CG1-CE1 4.23Å; L161-Y172 HydrophobicContact CD1-CD1 4.05Å; L161-Y172 HydrophobicContact CD1-CG 4.42Å; K164-Y172 HydrophobicContact CB-CD1 4.35Å; K164-Y172 HydrophobicContact CB-CD2 3.94Å; K164-Y172 HydrophobicContact CB-CE1 4.06Å; K164-Y172 HydrophobicContact CB-CE2 3.67Å; K164-Y172 HydrophobicContact CB-CG 4.29Å; K164-Y172 HydrophobicContact CD-CE2 4.3Å; K164-Y172 HydrophobicContact CG-CE1 4.37Å; K164-Y172 HydrophobicContact CG-CE2 4.33Å; D168-Y172 WeakPolarHBondContact O-CD2 3.24Å; P169-Y172 PolarHBondContact O-N 3.27Å; E170-Y172 PolarHBondContact O-N 3.11Å; Y172-E175 VanDerWaalsContact CA-OE2 3.3Å; Y172-E175 WeakPolarHBondContact CA-OE2 3.48Å; Y172-E175 PolarHBondContact O-N 3.04Å; Y172-F176 PolarHBondContact O-N 2.85Å; Y172-F176 VanDerWaalsContact O-N 3.11Å |
| 173 | R | 85.5 | Confident | 86.4 | Confident | 109 Ų | 109 | 66 Ų | 66 | 41% | 0.411 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | -179.8 | -176.3 | 178.6 | 174.7 | 109.7 | 3.8 | 111.7 | E170 E175 F176 F177 Y215 | E170-R173 WeakPolarHBondContact O-CB 3.37Å; R173-E175 PolarHBondContact O-N 3.36Å; R173-F176 PolarHBondContact O-N 3.5Å; R173-F177 HydrophobicContact CG-CD2 3.76Å; R173-F177 HydrophobicContact CG-CE2 3.67Å; R173-F177 VanDerWaalsContact O-CD2 3.24Å; R173-F177 WeakPolarHBondContact O-CD2 3.23Å; R173-F177 PolarHBondContact O-N 3.47Å; R173-Y215 VanDerWaalsContact CA-OH 3.23Å; R173-Y215 WeakPolarHBondContact CA-OH 3.4Å; R173-Y215 HydrophobicContact CB-CE1 4.42Å; R173-Y215 WeakPolarHBondContact CB-OH 3.39Å; R173-Y215 HydrophobicContact CG-CE1 4.02Å |
| 174 | E | 86.4 | Confident | 86.6 | Confident | 116 Ų | 116 | 62.8 Ų | 62.8 | 54% | 0.542 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | -179.3 | -64.7 | -172.4 | 148.3 | 0 | 0 | 111.4 | R151 F176 F177 D178 | R151-E174 IonicContact CZ-OE2 3.59Å; R151-E174 IonicContact NH1-OE2 2.77Å; R151-E174 PolarHBondContact NH1-OE2 3.17Å; E174-F176 VanDerWaalsContact C-N 3.32Å; E174-F176 PolarHBondContact O-N 3.47Å; E174-F177 PolarHBondContact O-N 3.48Å; E174-F177 VanDerWaalsContact O-N 3.17Å; E174-D178 PolarHBondContact O-N 2.64Å |
| 175 | E | 86.5 | Confident | 86.8 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -35.7 | 178.3 | -68.1 | 80.8 | 177 | 0 | 0 | 112.3 | R151 L161 Y172 R173 Q179 | R151-E175 WeakPolarHBondContact CD-OE1 3.5Å; R151-E175 IonicContact NE-OE1 3.22Å; L161-E175 HydrophobicContact CD1-CB 3.76Å; L161-E175 HydrophobicContact CD1-CG 4.41Å; L161-E175 HydrophobicContact CD2-CB 4.22Å; Y172-E175 VanDerWaalsContact CA-OE2 3.3Å; Y172-E175 WeakPolarHBondContact CA-OE2 3.48Å; Y172-E175 PolarHBondContact O-N 3.04Å; R173-E175 PolarHBondContact O-N 3.36Å; E175-Q179 WeakPolarHBondContact O-CG 3.14Å; E175-Q179 PolarHBondContact O-N 3.1Å |
| 176 | F | 88.5 | Confident | 86.9 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 171.9 | 173.2 | -92.9 | 0 | 0 | 0 | 111.5 | L165 Y172 R173 E174 D178 Q179 F180 F207 L208 A211 Y215 A218 | L165-F176 HydrophobicContact CD2-CB 4.49Å; Y172-F176 PolarHBondContact O-N 2.85Å; Y172-F176 VanDerWaalsContact O-N 3.11Å; R173-F176 PolarHBondContact O-N 3.5Å; E174-F176 VanDerWaalsContact C-N 3.32Å; E174-F176 PolarHBondContact O-N 3.47Å; F176-D178 VanDerWaalsContact C-N 3.29Å; F176-D178 PolarHBondContact O-N 3.38Å; F176-Q179 PolarHBondContact O-N 2.9Å; F176-F180 PolarHBondContact O-N 3.5Å; F176-F207 HydrophobicContact CD2-CE1 4.24Å; F176-L208 HydrophobicContact CD2-CD2 4.18Å; F176-L208 HydrophobicContact CE2-CD2 3.63Å; F176-L208 HydrophobicContact CZ-CD2 3.98Å; F176-A211 HydrophobicContact CD2-CB 3.87Å; F176-A211 HydrophobicContact CE2-CB 3.66Å; F176-Y215 HydrophobicContact CB-CD2 4.48Å; F176-Y215 HydrophobicContact CB-CE2 3.87Å; F176-Y215 AromaticContact CD1-CD2 3.44Å; F176-Y215 HydrophobicContact CD1-CD2 3.44Å; F176-Y215 VanDerWaalsContact CD1-CD2 3.44Å; F176-Y215 AromaticContact CD1-CE2 3.68Å; F176-Y215 HydrophobicContact CD1-CE2 3.68Å; F176-Y215 HydrophobicContact CD1-CG 4.29Å; F176-Y215 HydrophobicContact CD2-CD2 4.1Å; F176-Y215 HydrophobicContact CD2-CE2 4.15Å; F176-Y215 AromaticContact CE1-CD2 3.57Å; F176-Y215 HydrophobicContact CE1-CD2 3.57Å; F176-Y215 HydrophobicContact CE1-CE2 4.27Å; F176-Y215 HydrophobicContact CE1-CG 4.21Å; F176-Y215 HydrophobicContact CE2-CD2 4.2Å; F176-Y215 AromaticContact CG-CD2 3.73Å; F176-Y215 HydrophobicContact CG-CD2 3.73Å; F176-Y215 AromaticContact CG-CE2 3.61Å; F176-Y215 HydrophobicContact CG-CE2 3.61Å; F176-Y215 AromaticContact CZ-CD2 3.95Å; F176-Y215 HydrophobicContact CZ-CD2 3.95Å; F176-A218 HydrophobicContact CE1-CB 3.93Å; F176-A218 HydrophobicContact CZ-CB 4.36Å |
| 177 | F | 90.4 | Very high | 86.8 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 24% | 0.237 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.1 | -30.1 | 178.9 | -81.9 | -73.8 | 0 | 0 | 0 | 112.6 | R173 E174 F180 R181 A218 | R173-F177 HydrophobicContact CG-CD2 3.76Å; R173-F177 HydrophobicContact CG-CE2 3.67Å; R173-F177 VanDerWaalsContact O-CD2 3.24Å; R173-F177 WeakPolarHBondContact O-CD2 3.23Å; R173-F177 PolarHBondContact O-N 3.47Å; E174-F177 PolarHBondContact O-N 3.48Å; E174-F177 VanDerWaalsContact O-N 3.17Å; F177-F180 HydrophobicContact CD1-CD1 4.48Å; F177-F180 PolarHBondContact O-N 3.48Å; F177-R181 WeakPolarHBondContact O-CB 3.38Å; F177-R181 VanDerWaalsContact O-CG 3.31Å; F177-R181 WeakPolarHBondContact O-CG 3.36Å; F177-R181 PolarHBondContact O-N 2.66Å; F177-A218 HydrophobicContact CE1-CB 4.37Å |
| 178 | D | 88.6 | Confident | 86.8 | Confident | 76 Ų | 76 | 61.7 Ų | 61.7 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64 | -43 | 171.9 | -75.2 | -16.6 | 0 | 0 | 0 | 111.6 | E174 F176 F180 R181 H182 | E174-D178 PolarHBondContact O-N 2.64Å; F176-D178 VanDerWaalsContact C-N 3.29Å; F176-D178 PolarHBondContact O-N 3.38Å; D178-F180 VanDerWaalsContact C-N 3.33Å; D178-R181 PolarHBondContact O-N 3.41Å; D178-R181 IonicContact OD1-NH1 3.85Å; D178-R181 PolarHBondContact OD1-NH1 3.03Å; D178-H182 WeakPolarHBondContact O-CB 3.38Å; D178-H182 PolarHBondContact O-N 3.21Å |
| 179 | Q | 87.7 | Confident | 86.9 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.2 | -35.3 | 173.3 | -68 | -60.1 | -26.4 | 0 | 0 | 112.3 | S155 L158 L161 E175 F176 H182 F183 F207 L208 | S155-Q179 PolarHBondContact O-NE2 3.39Å; L158-Q179 HydrophobicContact CD2-CG 4.04Å; L161-Q179 HydrophobicContact CD2-CG 4.13Å; E175-Q179 WeakPolarHBondContact O-CG 3.14Å; E175-Q179 PolarHBondContact O-N 3.1Å; F176-Q179 PolarHBondContact O-N 2.9Å; Q179-H182 WeakPolarHBondContact O-CB 3.31Å; Q179-H182 PolarHBondContact O-N 2.93Å; Q179-F183 PolarHBondContact O-N 3.47Å; Q179-F207 HydrophobicContact CB-CD1 4.3Å; Q179-F207 HydrophobicContact CB-CE1 3.92Å; Q179-F207 HydrophobicContact CG-CD1 4.47Å; Q179-F207 HydrophobicContact CG-CE1 3.99Å; Q179-L208 HydrophobicContact CB-CD2 4.38Å |
| 180 | F | 89.5 | Confident | 86.5 | Confident | 7 Ų | 7 | 60.3 Ų | 60.3 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 175.5 | -171.9 | -112.7 | 0 | 0 | 0 | 112.1 | F176 F177 D178 H182 F183 Q184 L208 E221 L222 | F176-F180 PolarHBondContact O-N 3.5Å; F177-F180 HydrophobicContact CD1-CD1 4.48Å; F177-F180 PolarHBondContact O-N 3.48Å; D178-F180 VanDerWaalsContact C-N 3.33Å; F180-H182 VanDerWaalsContact C-N 3.31Å; F180-H182 PolarHBondContact O-N 3.22Å; F180-F183 HydrophobicContact CE2-CD1 4.44Å; F180-F183 WeakPolarHBondContact O-CB 3.49Å; F180-F183 PolarHBondContact O-N 2.89Å; F180-Q184 HydrophobicContact CE1-CG 4.4Å; F180-Q184 WeakPolarHBondContact O-CG 3.49Å; F180-Q184 PolarHBondContact O-N 2.87Å; F180-L208 HydrophobicContact CB-CD2 4.19Å; F180-L208 HydrophobicContact CD2-CD1 4.18Å; F180-L208 HydrophobicContact CD2-CD2 4.31Å; F180-E221 HydrophobicContact CZ-CB 4.24Å; F180-E221 HydrophobicContact CZ-CG 4.16Å; F180-L222 HydrophobicContact CE2-CB 3.97Å; F180-L222 HydrophobicContact CE2-CD1 4.12Å |
| 181 | R | 90.1 | Very high | 86.1 | Confident | 148 Ų | 148 | 58.2 Ų | 58.2 | 56% | 0.558 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.2 | -39.9 | 172.4 | -71.6 | 176.6 | -163.9 | 135 | -2.6 | 111.6 | F177 D178 Q184 S185 | F177-R181 WeakPolarHBondContact O-CB 3.38Å; F177-R181 VanDerWaalsContact O-CG 3.31Å; F177-R181 WeakPolarHBondContact O-CG 3.36Å; F177-R181 PolarHBondContact O-N 2.66Å; D178-R181 PolarHBondContact O-N 3.41Å; D178-R181 IonicContact OD1-NH1 3.85Å; D178-R181 PolarHBondContact OD1-NH1 3.03Å; R181-Q184 PolarHBondContact O-N 3.03Å; R181-S185 WeakPolarHBondContact O-CB 3.4Å; R181-S185 PolarHBondContact O-N 3.09Å; R181-S185 PolarHBondContact O-OG 2.87Å |
| 182 | H | 89.2 | Confident | 85.9 | Confident | 91 Ų | 91 | 61 Ų | 61 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.6 | -49.1 | 173.8 | -179.4 | 50.9 | 0 | 0 | 0 | 110.4 | D178 Q179 F180 Q184 S185 V186 | D178-H182 WeakPolarHBondContact O-CB 3.38Å; D178-H182 PolarHBondContact O-N 3.21Å; Q179-H182 WeakPolarHBondContact O-CB 3.31Å; Q179-H182 PolarHBondContact O-N 2.93Å; F180-H182 VanDerWaalsContact C-N 3.31Å; F180-H182 PolarHBondContact O-N 3.22Å; H182-Q184 VanDerWaalsContact C-N 3.35Å; H182-Q184 PolarHBondContact O-N 3.19Å; H182-S185 PolarHBondContact O-N 3.37Å; H182-S185 PolarHBondContact O-OG 3.23Å; H182-V186 VanDerWaalsContact O-CG2 3.31Å; H182-V186 WeakPolarHBondContact O-CG2 3.45Å; H182-V186 PolarHBondContact O-N 3.43Å |
| 183 | F | 89.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.5 | -45.6 | 173.7 | 167.3 | -103.2 | 0 | 0 | 0 | 113 | Q179 F180 S185 V186 L187 L201 V204 V205 L208 L222 Q225 L226 | Q179-F183 PolarHBondContact O-N 3.47Å; F180-F183 HydrophobicContact CE2-CD1 4.44Å; F180-F183 WeakPolarHBondContact O-CB 3.49Å; F180-F183 PolarHBondContact O-N 2.89Å; F183-S185 PolarHBondContact O-N 3.4Å; F183-V186 PolarHBondContact O-N 2.89Å; F183-L187 HydrophobicContact CE1-CD1 4.11Å; F183-L187 HydrophobicContact CZ-CD1 3.87Å; F183-L187 WeakPolarHBondContact O-CB 3.49Å; F183-L187 PolarHBondContact O-N 2.91Å; F183-L201 HydrophobicContact CD2-CD1 3.93Å; F183-L201 HydrophobicContact CE2-CD1 4.16Å; F183-V204 HydrophobicContact CB-CG1 4.02Å; F183-V205 HydrophobicContact CD2-CG2 3.75Å; F183-V205 HydrophobicContact CE2-CG2 3.55Å; F183-L208 HydrophobicContact CB-CD1 3.56Å; F183-L208 HydrophobicContact CD1-CD1 4.14Å; F183-L208 HydrophobicContact CD2-CD1 4.42Å; F183-L208 HydrophobicContact CG-CD1 3.78Å; F183-L222 HydrophobicContact CD1-CD1 3.88Å; F183-L222 HydrophobicContact CE1-CD1 3.49Å; F183-L222 VanDerWaalsContact CE1-CD1 3.49Å; F183-L222 HydrophobicContact CZ-CD1 3.91Å; F183-Q225 HydrophobicContact CE1-CB 4.42Å; F183-L226 HydrophobicContact CE2-CD2 4Å; F183-L226 HydrophobicContact CZ-CD2 3.72Å; F183-L226 HydrophobicContact CZ-CG 4.15Å |
| 184 | Q | 89.7 | Confident | 84.8 | Confident | 50 Ų | 50 | 61.8 Ų | 61.8 | 23% | 0.234 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 177.4 | -70.4 | -177.5 | -21.7 | 0 | 0 | 112.4 | F180 R181 H182 V186 L187 Q188 E221 | F180-Q184 HydrophobicContact CE1-CG 4.4Å; F180-Q184 WeakPolarHBondContact O-CG 3.49Å; F180-Q184 PolarHBondContact O-N 2.87Å; R181-Q184 PolarHBondContact O-N 3.03Å; H182-Q184 VanDerWaalsContact C-N 3.35Å; H182-Q184 PolarHBondContact O-N 3.19Å; Q184-V186 VanDerWaalsContact C-N 3.34Å; Q184-V186 PolarHBondContact O-N 3.45Å; Q184-L187 WeakPolarHBondContact O-CB 3.49Å; Q184-L187 PolarHBondContact O-N 3.21Å; Q184-Q188 WeakPolarHBondContact O-CG 3.5Å; Q184-Q188 PolarHBondContact O-N 3.42Å; Q184-E221 PolarHBondContact NE2-OE1 3.25Å |
| 185 | S | 87.9 | Confident | 83.9 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 32% | 0.315 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 176 | 72.6 | 0 | 0 | 0 | 0 | 111.8 | R181 H182 F183 L187 Q188 L189 | R181-S185 WeakPolarHBondContact O-CB 3.4Å; R181-S185 PolarHBondContact O-N 3.09Å; R181-S185 PolarHBondContact O-OG 2.87Å; H182-S185 PolarHBondContact O-N 3.37Å; H182-S185 PolarHBondContact O-OG 3.23Å; F183-S185 PolarHBondContact O-N 3.4Å; S185-L187 VanDerWaalsContact C-N 3.35Å; S185-Q188 PolarHBondContact O-N 3.44Å; S185-L189 WeakPolarHBondContact O-CB 3.32Å; S185-L189 VanDerWaalsContact O-CG 3.27Å; S185-L189 WeakPolarHBondContact O-CG 3.31Å; S185-L189 PolarHBondContact O-N 2.85Å |
| 186 | V | 85.7 | Confident | 83 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 2% | 0.024 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | H182 F183 Q184 Q188 L189 M190 Q198 L201 | H182-V186 VanDerWaalsContact O-CG2 3.31Å; H182-V186 WeakPolarHBondContact O-CG2 3.45Å; H182-V186 PolarHBondContact O-N 3.43Å; F183-V186 PolarHBondContact O-N 2.89Å; Q184-V186 VanDerWaalsContact C-N 3.34Å; Q184-V186 PolarHBondContact O-N 3.45Å; V186-Q188 PolarHBondContact O-N 2.83Å; V186-L189 PolarHBondContact O-N 3.28Å; V186-M190 HydrophobicContact CG1-CG 4.41Å; V186-M190 VanDerWaalsContact O-CG 3.29Å; V186-M190 WeakPolarHBondContact O-CG 3.49Å; V186-M190 PolarHBondContact O-N 3.18Å; V186-Q198 HydrophobicContact CG1-CB 4.37Å; V186-Q198 HydrophobicContact CG1-CG 4.33Å; V186-Q198 VanDerWaalsContact CG2-OE1 3.25Å; V186-L201 HydrophobicContact CG1-CD1 3.8Å; V186-L201 HydrophobicContact CG1-CD2 4.41Å; V186-L201 HydrophobicContact CG1-CG 4.45Å |
| 187 | L | 83.3 | Confident | 81.9 | Confident | 18 Ų | 18 | 78.1 Ų | 78.1 | 9% | 0.094 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.4 | -49.4 | 177 | -157.2 | 165.9 | 0 | 0 | 0 | 110.4 | F183 Q184 S185 L189 M190 E191 Q225 L229 | F183-L187 HydrophobicContact CE1-CD1 4.11Å; F183-L187 HydrophobicContact CZ-CD1 3.87Å; F183-L187 WeakPolarHBondContact O-CB 3.49Å; F183-L187 PolarHBondContact O-N 2.91Å; Q184-L187 WeakPolarHBondContact O-CB 3.49Å; Q184-L187 PolarHBondContact O-N 3.21Å; S185-L187 VanDerWaalsContact C-N 3.35Å; L187-L189 PolarHBondContact O-N 3.4Å; L187-M190 WeakPolarHBondContact O-CB 3.48Å; L187-M190 PolarHBondContact O-N 2.72Å; L187-M190 VanDerWaalsContact O-N 3.09Å; L187-E191 HydrophobicContact CD2-CG 3.97Å; L187-E191 VanDerWaalsContact O-CG 3.24Å; L187-E191 WeakPolarHBondContact O-CG 3.3Å; L187-E191 PolarHBondContact O-N 3.07Å; L187-Q225 HydrophobicContact CD1-CB 4.02Å; L187-L229 HydrophobicContact CD2-CD1 4.09Å; L187-L229 HydrophobicContact CG-CD1 4.08Å; L187-L229 HydrophobicContact CG-CD2 4.46Å |
| 188 | Q | 83.7 | Confident | 80.6 | Confident | 123 Ų | 123 | 78.2 Ų | 78.2 | 58% | 0.575 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59 | -43.4 | 175.8 | -71.6 | 175.4 | -4.3 | 0 | 0 | 112.7 | Q184 S185 V186 M190 E191 L192 | Q184-Q188 WeakPolarHBondContact O-CG 3.5Å; Q184-Q188 PolarHBondContact O-N 3.42Å; S185-Q188 PolarHBondContact O-N 3.44Å; V186-Q188 PolarHBondContact O-N 2.83Å; Q188-M190 VanDerWaalsContact C-N 3.28Å; Q188-M190 PolarHBondContact O-N 3.27Å; Q188-E191 WeakPolarHBondContact O-CB 3.35Å; Q188-E191 PolarHBondContact O-N 3.39Å; Q188-E191 VanDerWaalsContact O-N 3.15Å; Q188-L192 PolarHBondContact O-N 2.93Å; Q188-L192 VanDerWaalsContact O-N 3.16Å |
| 189 | L | 84.6 | Confident | 79.7 | Confident | 78 Ų | 78 | 84 Ų | 84 | 41% | 0.408 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61 | -38.5 | 174.9 | -74.5 | 171.3 | 0 | 0 | 0 | 111.8 | S185 V186 L187 E191 L192 Q193 | S185-L189 WeakPolarHBondContact O-CB 3.32Å; S185-L189 VanDerWaalsContact O-CG 3.27Å; S185-L189 WeakPolarHBondContact O-CG 3.31Å; S185-L189 PolarHBondContact O-N 2.85Å; V186-L189 PolarHBondContact O-N 3.28Å; L187-L189 PolarHBondContact O-N 3.4Å; L189-E191 VanDerWaalsContact C-N 3.34Å; L189-L192 PolarHBondContact O-N 3.4Å; L189-Q193 PolarHBondContact O-N 3.03Å |
| 190 | M | 76.6 | Confident | 79.2 | Confident | 28 Ų | 28 | 84.4 Ų | 84.4 | 14% | 0.138 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.4 | -33 | 175.4 | -72.4 | -160.8 | 66 | 0 | 0 | 112.8 | V186 L187 Q188 L192 L201 F237 | V186-M190 HydrophobicContact CG1-CG 4.41Å; V186-M190 VanDerWaalsContact O-CG 3.29Å; V186-M190 WeakPolarHBondContact O-CG 3.49Å; V186-M190 PolarHBondContact O-N 3.18Å; L187-M190 WeakPolarHBondContact O-CB 3.48Å; L187-M190 PolarHBondContact O-N 2.72Å; L187-M190 VanDerWaalsContact O-N 3.09Å; Q188-M190 VanDerWaalsContact C-N 3.28Å; Q188-M190 PolarHBondContact O-N 3.27Å; M190-L192 VanDerWaalsContact C-N 3.32Å; M190-L201 HydrophobicContact SD-CD2 3.65Å; M190-F237 HydrophobicContact CE-CD1 3.83Å; M190-F237 HydrophobicContact CE-CE1 3.08Å; M190-F237 HydrophobicContact CE-CZ 3.6Å; M190-F237 HydrophobicContact SD-CE1 3.74Å; M190-F237 HydrophobicContact SD-CZ 4.23Å |
| 191 | E | 76.4 | Confident | 78.9 | Confident | 100 Ų | 100 | 84.9 Ų | 84.9 | 47% | 0.467 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 174.2 | -47.9 | -163.4 | 145 | 0 | 0 | 111.6 | L187 Q188 L189 R232 | L187-E191 HydrophobicContact CD2-CG 3.97Å; L187-E191 VanDerWaalsContact O-CG 3.24Å; L187-E191 WeakPolarHBondContact O-CG 3.3Å; L187-E191 PolarHBondContact O-N 3.07Å; Q188-E191 WeakPolarHBondContact O-CB 3.35Å; Q188-E191 PolarHBondContact O-N 3.39Å; Q188-E191 VanDerWaalsContact O-N 3.15Å; L189-E191 VanDerWaalsContact C-N 3.34Å; E191-R232 VanDerWaalsContact CG-NH2 3.26Å; E191-R232 IonicContact OE1-CZ 2.68Å; E191-R232 IonicContact OE1-NH1 3.84Å; E191-R232 PolarHBondContact OE1-NH1 3.12Å; E191-R232 IonicContact OE1-NH2 2.68Å; E191-R232 PolarHBondContact OE1-NH2 3.45Å; E191-R232 IonicContact OE2-NH1 3.99Å |
| 192 | L | 80.2 | Confident | 78.6 | Confident | 141 Ų | 141 | 79.9 Ų | 79.9 | 74% | 0.738 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -79.1 | -37.9 | -179.8 | -67.1 | 170.1 | 0 | 0 | 0 | 112.6 | Q188 L189 M190 | Q188-L192 PolarHBondContact O-N 2.93Å; Q188-L192 VanDerWaalsContact O-N 3.16Å; L189-L192 PolarHBondContact O-N 3.4Å; M190-L192 VanDerWaalsContact C-N 3.32Å |
| 193 | Q | 78.4 | Confident | 78.5 | Confident | 114 Ų | 114 | 82 Ų | 82 | 53% | 0.533 | 41% | 0.413 | S | S | . | . | trans | -136.2 | 80.3 | -173.6 | -66.4 | -172.1 | -14.6 | 0 | 0 | 111.6 | L189 Q195 L196 | L189-Q193 PolarHBondContact O-N 3.03Å; Q193-Q195 PolarHBondContact O-N 3.4Å; Q193-Q195 VanDerWaalsContact O-N 3.09Å; Q193-L196 HydrophobicContact CB-CB 4.47Å; Q193-L196 PolarHBondContact O-N 3.4Å | ||
| 194 | P | 68.7 | Low | 78.5 | Confident | 67 Ų | 67 | 82.4 Ų | 82.4 | 44% | 0.435 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14.8 | -177.2 | 22.7 | -32.2 | 0 | 0 | 0 | 114.4 | ||
| 195 | Q | 67.1 | Low | 78.4 | Confident | 189 Ų | 189 | 80 Ų | 80 | 88% | 0.883 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -16.4 | -179.1 | -60.1 | -177.6 | 9.2 | 0 | 0 | 113.8 | Q193 K197 | Q193-Q195 PolarHBondContact O-N 3.4Å; Q193-Q195 VanDerWaalsContact O-N 3.09Å; Q195-K197 PolarHBondContact O-N 3.44Å |
| 196 | L | 67.8 | Low | 78.4 | Confident | 91 Ų | 91 | 81.2 Ų | 81.2 | 48% | 0.476 | 40% | 0.403 | S | S | . | . | trans | -77.9 | 109.3 | -174.1 | -165.6 | 73.4 | 0 | 0 | 0 | 110.1 | Q193 Q198 | Q193-L196 HydrophobicContact CB-CB 4.47Å; Q193-L196 PolarHBondContact O-N 3.4Å; L196-Q198 PolarHBondContact O-N 3.08Å; L196-Q198 VanDerWaalsContact O-N 3.08Å | ||
| 197 | K | 64.6 | Low | 78.6 | Confident | 192 Ų | 192 | 81.4 Ų | 81.4 | 84% | 0.835 | 40% | 0.404 | S | S | * | . | trans | -67 | 107.7 | 172.8 | -69.6 | -175.2 | -179.8 | -178.3 | 0 | 109.2 | Q195 E199 | Q195-K197 PolarHBondContact O-N 3.44Å; K197-E199 PolarHBondContact O-N 3.21Å | ||
| 198 | Q | 63.9 | Low | 78.9 | Confident | 56 Ų | 56 | 80.5 Ų | 80.5 | 26% | 0.262 | 40% | 0.399 | S | S | . | . | trans | -89.9 | 106.5 | 174.3 | -61.9 | -135.8 | 7 | 0 | 0 | 110 | V186 L196 | V186-Q198 HydrophobicContact CG1-CB 4.37Å; V186-Q198 HydrophobicContact CG1-CG 4.33Å; V186-Q198 VanDerWaalsContact CG2-OE1 3.25Å; L196-Q198 PolarHBondContact O-N 3.08Å; L196-Q198 VanDerWaalsContact O-N 3.08Å | ||
| 199 | E | 69.2 | Low | 79.1 | Confident | 197 Ų | 197 | 74.7 Ų | 74.7 | 92% | 0.921 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 133.9 | 169.3 | -62.5 | -175.3 | 167.6 | 0 | 0 | 109.2 | K197 | K197-E199 PolarHBondContact O-N 3.21Š|
| 200 | G | 77.4 | Confident | 79.2 | Confident | 33 Ų | 33 | 72.4 Ų | 72.4 | 34% | 0.34 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | -15.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117 | V202 E203 V204 | G200-V202 VanDerWaalsContact C-N 3.27Å; G200-V202 PolarHBondContact O-N 3.26Å; G200-E203 WeakPolarHBondContact O-CB 3.35Å; G200-E203 PolarHBondContact O-N 2.92Å; G200-V204 WeakPolarHBondContact O-CG2 3.29Å; G200-V204 PolarHBondContact O-N 2.87Å; G200-V204 VanDerWaalsContact O-N 3.09Å |
| 201 | L | 83.3 | Confident | 79.8 | Confident | 16 Ų | 16 | 71.2 Ų | 71.2 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -54.5 | -43.2 | 179.6 | 173.3 | 62.2 | 0 | 0 | 0 | 112.5 | F183 V186 M190 E203 V204 V205 | F183-L201 HydrophobicContact CD2-CD1 3.93Å; F183-L201 HydrophobicContact CE2-CD1 4.16Å; V186-L201 HydrophobicContact CG1-CD1 3.8Å; V186-L201 HydrophobicContact CG1-CD2 4.41Å; V186-L201 HydrophobicContact CG1-CG 4.45Å; M190-L201 HydrophobicContact SD-CD2 3.65Å; L201-E203 VanDerWaalsContact C-N 3.31Å; L201-E203 PolarHBondContact O-N 3.5Å; L201-V204 PolarHBondContact O-N 3.25Å; L201-V205 HydrophobicContact CD1-CG2 3.83Å; L201-V205 HydrophobicContact CG-CG2 4.31Å; L201-V205 VanDerWaalsContact O-CG2 3.3Å; L201-V205 WeakPolarHBondContact O-CG2 3.37Å; L201-V205 PolarHBondContact O-N 3.49Å |
| 202 | V | 84.8 | Confident | 80.1 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 179.9 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | G200 V205 F206 V241 A244 | G200-V202 VanDerWaalsContact C-N 3.27Å; G200-V202 PolarHBondContact O-N 3.26Å; V202-V205 PolarHBondContact O-N 3.27Å; V202-F206 HydrophobicContact CG1-CD2 3.71Å; V202-F206 HydrophobicContact CG1-CE2 3.9Å; V202-F206 WeakPolarHBondContact O-CB 3.3Å; V202-F206 VanDerWaalsContact O-CD2 3.32Å; V202-F206 WeakPolarHBondContact O-CD2 3.3Å; V202-F206 PolarHBondContact O-N 3.26Å; V202-V241 HydrophobicContact CG2-CG1 4.11Å; V202-V241 HydrophobicContact CG2-CG2 4.37Å; V202-A244 HydrophobicContact CB-CB 4.48Å; V202-A244 HydrophobicContact CG1-CB 3.59Å; V202-A244 HydrophobicContact CG2-CB 4.03Å |
| 203 | E | 86.8 | Confident | 80.2 | Confident | 136 Ų | 136 | 63.9 Ų | 63.9 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.7 | -43.5 | -179.5 | -58.6 | -176.4 | 178 | 0 | 0 | 111.1 | L158 G200 L201 F206 F207 | L158-E203 HydrophobicContact CD1-CB 3.83Å; G200-E203 WeakPolarHBondContact O-CB 3.35Å; G200-E203 PolarHBondContact O-N 2.92Å; L201-E203 VanDerWaalsContact C-N 3.31Å; L201-E203 PolarHBondContact O-N 3.5Å; E203-F206 PolarHBondContact O-N 2.92Å; E203-F207 VanDerWaalsContact O-CB 3.32Å; E203-F207 WeakPolarHBondContact O-CB 3.33Å; E203-F207 PolarHBondContact O-N 3.44Å |
| 204 | V | 87.8 | Confident | 80.5 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 5% | 0.048 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 176.3 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | L158 F183 G200 L201 F206 F207 L208 | L158-V204 HydrophobicContact CD1-CG2 4.1Å; F183-V204 HydrophobicContact CB-CG1 4.02Å; G200-V204 WeakPolarHBondContact O-CG2 3.29Å; G200-V204 PolarHBondContact O-N 2.87Å; G200-V204 VanDerWaalsContact O-N 3.09Å; L201-V204 PolarHBondContact O-N 3.25Å; V204-F206 PolarHBondContact O-N 3.4Å; V204-F207 WeakPolarHBondContact O-CB 3.46Å; V204-F207 PolarHBondContact O-N 2.92Å; V204-L208 HydrophobicContact CG1-CD1 3.94Å; V204-L208 HydrophobicContact CG1-CG 4.31Å; V204-L208 WeakPolarHBondContact O-CB 3.27Å; V204-L208 VanDerWaalsContact O-CG 3.3Å; V204-L208 WeakPolarHBondContact O-CG 3.23Å; V204-L208 PolarHBondContact O-N 3.37Å |
| 205 | V | 88.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | 178.8 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | F183 L201 V202 L208 C209 L226 L245 A248 | F183-V205 HydrophobicContact CD2-CG2 3.75Å; F183-V205 HydrophobicContact CE2-CG2 3.55Å; L201-V205 HydrophobicContact CD1-CG2 3.83Å; L201-V205 HydrophobicContact CG-CG2 4.31Å; L201-V205 VanDerWaalsContact O-CG2 3.3Å; L201-V205 WeakPolarHBondContact O-CG2 3.37Å; L201-V205 PolarHBondContact O-N 3.49Å; V202-V205 PolarHBondContact O-N 3.27Å; V205-L208 PolarHBondContact O-N 3.47Å; V205-C209 WeakPolarHBondContact O-CB 3.29Å; V205-C209 PolarHBondContact O-N 2.94Å; V205-C209 PolarHBondContact O-SG 2.97Å; V205-L226 HydrophobicContact CG1-CD1 4.14Å; V205-L226 HydrophobicContact CG1-CD2 4.06Å; V205-L226 HydrophobicContact CG2-CD2 4.3Å; V205-L245 HydrophobicContact CB-CD2 4.36Å; V205-L245 HydrophobicContact CG1-CD2 3.99Å; V205-L245 HydrophobicContact CG2-CD2 4.1Å; V205-A248 HydrophobicContact CG1-CB 3.67Å |
| 206 | F | 88.3 | Confident | 82.2 | Confident | 69 Ų | 69 | 53 Ų | 53 | 30% | 0.303 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.7 | -95.4 | -73.8 | 0 | 0 | 0 | 112 | V202 E203 V204 C209 T210 A244 K247 | V202-F206 HydrophobicContact CG1-CD2 3.71Å; V202-F206 HydrophobicContact CG1-CE2 3.9Å; V202-F206 WeakPolarHBondContact O-CB 3.3Å; V202-F206 VanDerWaalsContact O-CD2 3.32Å; V202-F206 WeakPolarHBondContact O-CD2 3.3Å; V202-F206 PolarHBondContact O-N 3.26Å; E203-F206 PolarHBondContact O-N 2.92Å; V204-F206 PolarHBondContact O-N 3.4Å; F206-C209 PolarHBondContact O-N 3.15Å; F206-T210 VanDerWaalsContact O-CG2 3.3Å; F206-T210 WeakPolarHBondContact O-CG2 3.42Å; F206-T210 PolarHBondContact O-N 3.09Å; F206-T210 PolarHBondContact O-OG1 2.94Å; F206-A244 HydrophobicContact CE2-CB 4.06Å; F206-K247 HydrophobicContact CE1-CB 4.27Å; F206-K247 HydrophobicContact CZ-CB 3.67Å; F206-K247 HydrophobicContact CZ-CD 4.35Å |
| 207 | F | 89.7 | Confident | 83.1 | Confident | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.035 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.6 | -53.2 | 175.1 | 167.3 | -100.6 | 0 | 0 | 0 | 110.8 | L158 L161 K162 L165 F176 Q179 E203 V204 C209 T210 A211 | L158-F207 HydrophobicContact CB-CB 4.38Å; L158-F207 HydrophobicContact CB-CD2 4.25Å; L158-F207 HydrophobicContact CB-CG 4.34Å; L158-F207 HydrophobicContact CD1-CB 4.34Å; L158-F207 HydrophobicContact CD2-CB 4.39Å; L158-F207 HydrophobicContact CD2-CD1 4.02Å; L158-F207 HydrophobicContact CD2-CD2 4.44Å; L158-F207 HydrophobicContact CD2-CE1 4.45Å; L158-F207 HydrophobicContact CD2-CG 4.02Å; L161-F207 HydrophobicContact CB-CE2 4.14Å; L161-F207 HydrophobicContact CB-CZ 4.35Å; L161-F207 HydrophobicContact CD2-CE1 4.05Å; L161-F207 HydrophobicContact CD2-CE2 4.01Å; L161-F207 HydrophobicContact CD2-CZ 3.4Å; L161-F207 HydrophobicContact CG-CE2 3.93Å; L161-F207 HydrophobicContact CG-CZ 3.68Å; K162-F207 HydrophobicContact CB-CD2 4.2Å; K162-F207 HydrophobicContact CB-CE2 4.16Å; L165-F207 HydrophobicContact CD1-CE2 3.8Å; L165-F207 HydrophobicContact CD1-CZ 3.49Å; L165-F207 VanDerWaalsContact CD1-CZ 3.49Å; F176-F207 HydrophobicContact CD2-CE1 4.24Å; Q179-F207 HydrophobicContact CB-CD1 4.3Å; Q179-F207 HydrophobicContact CB-CE1 3.92Å; Q179-F207 HydrophobicContact CG-CD1 4.47Å; Q179-F207 HydrophobicContact CG-CE1 3.99Å; E203-F207 VanDerWaalsContact O-CB 3.32Å; E203-F207 WeakPolarHBondContact O-CB 3.33Å; E203-F207 PolarHBondContact O-N 3.44Å; V204-F207 WeakPolarHBondContact O-CB 3.46Å; V204-F207 PolarHBondContact O-N 2.92Å; F207-C209 PolarHBondContact O-N 3.48Å; F207-T210 PolarHBondContact O-N 3.3Å; F207-T210 VanDerWaalsContact O-N 3.07Å; F207-T210 PolarHBondContact O-OG1 3.39Å; F207-A211 WeakPolarHBondContact O-CB 3.47Å; F207-A211 PolarHBondContact O-N 2.92Å |
| 208 | L | 89.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 179.4 | -68 | 173.7 | 0 | 0 | 0 | 111.9 | F176 Q179 F180 F183 V204 V205 T210 A211 A212 L222 | F176-L208 HydrophobicContact CD2-CD2 4.18Å; F176-L208 HydrophobicContact CE2-CD2 3.63Å; F176-L208 HydrophobicContact CZ-CD2 3.98Å; Q179-L208 HydrophobicContact CB-CD2 4.38Å; F180-L208 HydrophobicContact CB-CD2 4.19Å; F180-L208 HydrophobicContact CD2-CD1 4.18Å; F180-L208 HydrophobicContact CD2-CD2 4.31Å; F183-L208 HydrophobicContact CB-CD1 3.56Å; F183-L208 HydrophobicContact CD1-CD1 4.14Å; F183-L208 HydrophobicContact CD2-CD1 4.42Å; F183-L208 HydrophobicContact CG-CD1 3.78Å; V204-L208 HydrophobicContact CG1-CD1 3.94Å; V204-L208 HydrophobicContact CG1-CG 4.31Å; V204-L208 WeakPolarHBondContact O-CB 3.27Å; V204-L208 VanDerWaalsContact O-CG 3.3Å; V204-L208 WeakPolarHBondContact O-CG 3.23Å; V204-L208 PolarHBondContact O-N 3.37Å; V205-L208 PolarHBondContact O-N 3.47Å; L208-T210 VanDerWaalsContact C-N 3.31Å; L208-T210 PolarHBondContact O-N 3.14Å; L208-A211 CarbonylContact O-C 3.55Å; L208-A211 PolarHBondContact O-N 3.42Å; L208-A212 WeakPolarHBondContact O-CB 3.4Å; L208-A212 PolarHBondContact O-N 2.96Å; L208-L222 HydrophobicContact CB-CD1 4.43Å; L208-L222 HydrophobicContact CB-CD2 3.72Å; L208-L222 HydrophobicContact CD1-CD1 4.12Å |
| 209 | C | 87.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.2 | -28.6 | 176.9 | -67.5 | 0 | 0 | 0 | 0 | 113.5 | V205 F206 F207 A248 L251 L252 | V205-C209 WeakPolarHBondContact O-CB 3.29Å; V205-C209 PolarHBondContact O-N 2.94Å; V205-C209 PolarHBondContact O-SG 2.97Å; F206-C209 PolarHBondContact O-N 3.15Å; F207-C209 PolarHBondContact O-N 3.48Å; C209-A248 HydrophobicContact CB-CB 4.43Å; C209-L251 HydrophobicContact CB-CD2 3.98Å; C209-L252 HydrophobicContact CB-CD2 4.07Å; C209-L252 HydrophobicContact CB-CG 4.16Å |
| 210 | T | 87.3 | Confident | 86 | Confident | 30 Ų | 30 | 39.3 Ų | 39.3 | 18% | 0.184 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.6 | -38.6 | 173.3 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | F206 F207 L208 A212 L251 | F206-T210 VanDerWaalsContact O-CG2 3.3Å; F206-T210 WeakPolarHBondContact O-CG2 3.42Å; F206-T210 PolarHBondContact O-N 3.09Å; F206-T210 PolarHBondContact O-OG1 2.94Å; F207-T210 PolarHBondContact O-N 3.3Å; F207-T210 VanDerWaalsContact O-N 3.07Å; F207-T210 PolarHBondContact O-OG1 3.39Å; L208-T210 VanDerWaalsContact C-N 3.31Å; L208-T210 PolarHBondContact O-N 3.14Å; T210-A212 VanDerWaalsContact C-N 3.35Å; T210-L251 HydrophobicContact CG2-CD2 3.57Å |
| 211 | A | 87.4 | Confident | 86.6 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -80.6 | -13.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L165 F176 F207 L208 Q213 F214 | L165-A211 HydrophobicContact CD1-CB 4.22Å; F176-A211 HydrophobicContact CD2-CB 3.87Å; F176-A211 HydrophobicContact CE2-CB 3.66Å; F207-A211 WeakPolarHBondContact O-CB 3.47Å; F207-A211 PolarHBondContact O-N 2.92Å; L208-A211 CarbonylContact O-C 3.55Å; L208-A211 PolarHBondContact O-N 3.42Å; A211-Q213 PolarHBondContact O-N 3.3Å; A211-F214 HydrophobicContact CB-CD2 4.4Å; A211-F214 WeakPolarHBondContact O-CD2 3.43Å; A211-F214 PolarHBondContact O-N 3.42Å |
| 212 | A | 83.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -20.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L208 T210 F214 A219 L252 | L208-A212 WeakPolarHBondContact O-CB 3.4Å; L208-A212 PolarHBondContact O-N 2.96Å; T210-A212 VanDerWaalsContact C-N 3.35Å; A212-F214 VanDerWaalsContact C-N 3.28Å; A212-F214 PolarHBondContact O-N 2.85Å; A212-A219 HydrophobicContact CB-CB 3.68Å; A212-L252 HydrophobicContact CB-CD2 3.7Å |
| 213 | Q | 83.2 | Confident | 87.1 | Confident | 86 Ų | 86 | 41.7 Ų | 41.7 | 40% | 0.402 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -27.2 | 175.7 | 68.8 | 177.9 | 5.9 | 0 | 0 | 113.5 | A211 R255 | A211-Q213 PolarHBondContact O-N 3.3Å; Q213-R255 VanDerWaalsContact OE1-NH2 3.08Å |
| 214 | F | 85 | Confident | 87.3 | Confident | 60 Ų | 60 | 38.8 Ų | 38.8 | 26% | 0.263 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -30.2 | -174.9 | -57.7 | -66.3 | 0 | 0 | 0 | 112 | L165 P169 A211 A212 | L165-F214 HydrophobicContact CB-CD2 4.48Å; L165-F214 HydrophobicContact CB-CE2 4.22Å; L165-F214 WeakPolarHBondContact O-CZ 3.49Å; P169-F214 HydrophobicContact CB-CB 4.3Å; P169-F214 HydrophobicContact CB-CD1 3.98Å; P169-F214 HydrophobicContact CB-CG 4.25Å; P169-F214 HydrophobicContact CG-CD1 3.62Å; P169-F214 HydrophobicContact CG-CE1 3.82Å; P169-F214 HydrophobicContact CG-CG 4.34Å; A211-F214 HydrophobicContact CB-CD2 4.4Å; A211-F214 WeakPolarHBondContact O-CD2 3.43Å; A211-F214 PolarHBondContact O-N 3.42Å; A212-F214 VanDerWaalsContact C-N 3.28Å; A212-F214 PolarHBondContact O-N 2.85Å |
| 215 | Y | 87.4 | Confident | 87.3 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | trans | -127.2 | 88.5 | -178.9 | -51.8 | -67.1 | 0 | 0 | 0 | 110.6 | L165 P169 R173 F176 E217 A219 | L165-Y215 HydrophobicContact CD2-CE2 4.23Å; P169-Y215 PolarHBondContact O-OH 3.19Å; R173-Y215 VanDerWaalsContact CA-OH 3.23Å; R173-Y215 WeakPolarHBondContact CA-OH 3.4Å; R173-Y215 HydrophobicContact CB-CE1 4.42Å; R173-Y215 WeakPolarHBondContact CB-OH 3.39Å; R173-Y215 HydrophobicContact CG-CE1 4.02Å; F176-Y215 HydrophobicContact CB-CD2 4.48Å; F176-Y215 HydrophobicContact CB-CE2 3.87Å; F176-Y215 AromaticContact CD1-CD2 3.44Å; F176-Y215 HydrophobicContact CD1-CD2 3.44Å; F176-Y215 VanDerWaalsContact CD1-CD2 3.44Å; F176-Y215 AromaticContact CD1-CE2 3.68Å; F176-Y215 HydrophobicContact CD1-CE2 3.68Å; F176-Y215 HydrophobicContact CD1-CG 4.29Å; F176-Y215 HydrophobicContact CD2-CD2 4.1Å; F176-Y215 HydrophobicContact CD2-CE2 4.15Å; F176-Y215 AromaticContact CE1-CD2 3.57Å; F176-Y215 HydrophobicContact CE1-CD2 3.57Å; F176-Y215 HydrophobicContact CE1-CE2 4.27Å; F176-Y215 HydrophobicContact CE1-CG 4.21Å; F176-Y215 HydrophobicContact CE2-CD2 4.2Å; F176-Y215 AromaticContact CG-CD2 3.73Å; F176-Y215 HydrophobicContact CG-CD2 3.73Å; F176-Y215 AromaticContact CG-CE2 3.61Å; F176-Y215 HydrophobicContact CG-CE2 3.61Å; F176-Y215 AromaticContact CZ-CD2 3.95Å; F176-Y215 HydrophobicContact CZ-CD2 3.95Å; Y215-E217 VanDerWaalsContact C-N 3.34Å; Y215-E217 PolarHBondContact O-N 2.91Å; Y215-A219 WeakPolarHBondContact O-CB 3.47Å; Y215-A219 PolarHBondContact O-N 3.47Å; Y215-A219 VanDerWaalsContact O-N 3.14Å | ||
| 216 | P | 83.4 | Confident | 87.3 | Confident | 70 Ų | 70 | 40.6 Ų | 40.6 | 46% | 0.455 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.2 | -32.5 | -173.7 | 25.3 | -33.8 | 0 | 0 | 0 | 113.5 | A219 I220 | P216-A219 WeakPolarHBondContact O-CB 3.46Å; P216-A219 PolarHBondContact O-N 2.95Å; P216-I220 WeakPolarHBondContact O-CG1 3.32Å; P216-I220 PolarHBondContact O-N 2.92Å |
| 217 | E | 86.6 | Confident | 87.3 | Confident | 158 Ų | 158 | 38.7 Ų | 38.7 | 74% | 0.738 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -64.6 | -51.8 | 178.8 | -64.5 | 176.9 | 173.1 | 0 | 0 | 111.6 | Y215 A219 I220 E221 | Y215-E217 VanDerWaalsContact C-N 3.34Å; Y215-E217 PolarHBondContact O-N 2.91Å; E217-A219 PolarHBondContact O-N 3.4Å; E217-I220 PolarHBondContact O-N 3.06Å; E217-I220 VanDerWaalsContact O-N 3.15Å; E217-E221 PolarHBondContact O-N 2.98Å |
| 218 | A | 86.7 | Confident | 87.2 | Confident | 6 Ų | 6 | 41 Ų | 41 | 5% | 0.05 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -30 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | F176 F177 L222 | F176-A218 HydrophobicContact CE1-CB 3.93Å; F176-A218 HydrophobicContact CZ-CB 4.36Å; F177-A218 HydrophobicContact CE1-CB 4.37Å; A218-L222 VanDerWaalsContact O-CB 3.24Å; A218-L222 WeakPolarHBondContact O-CB 3.3Å; A218-L222 PolarHBondContact O-N 3.32Å |
| 219 | A | 85.7 | Confident | 87 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.9 | -34.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A212 Y215 P216 E217 R223 | A212-A219 HydrophobicContact CB-CB 3.68Å; Y215-A219 WeakPolarHBondContact O-CB 3.47Å; Y215-A219 PolarHBondContact O-N 3.47Å; Y215-A219 VanDerWaalsContact O-N 3.14Å; P216-A219 WeakPolarHBondContact O-CB 3.46Å; P216-A219 PolarHBondContact O-N 2.95Å; E217-A219 PolarHBondContact O-N 3.4Å; A219-R223 WeakPolarHBondContact O-CB 3.44Å; A219-R223 PolarHBondContact O-N 2.94Å |
| 220 | I | 86.9 | Confident | 86.9 | Confident | 82 Ų | 82 | 41.4 Ų | 41.4 | 42% | 0.421 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.5 | -45.8 | 176 | -67 | 166.3 | 0 | 0 | 0 | 109.8 | P216 E217 R223 D224 | P216-I220 WeakPolarHBondContact O-CG1 3.32Å; P216-I220 PolarHBondContact O-N 2.92Å; E217-I220 PolarHBondContact O-N 3.06Å; E217-I220 VanDerWaalsContact O-N 3.15Å; I220-R223 WeakPolarHBondContact O-CB 3.44Å; I220-R223 PolarHBondContact O-N 3.33Å; I220-D224 PolarHBondContact O-N 3.07Å |
| 221 | E | 90.1 | Very high | 86.8 | Confident | 85 Ų | 85 | 45.1 Ų | 45.1 | 40% | 0.397 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 176.6 | -168.4 | -174.6 | 169.5 | 0 | 0 | 111.5 | F180 Q184 E217 R223 D224 Q225 | F180-E221 HydrophobicContact CZ-CB 4.24Å; F180-E221 HydrophobicContact CZ-CG 4.16Å; Q184-E221 PolarHBondContact NE2-OE1 3.25Å; E217-E221 PolarHBondContact O-N 2.98Å; E221-R223 VanDerWaalsContact C-N 3.31Å; E221-R223 PolarHBondContact O-N 3.24Å; E221-D224 PolarHBondContact O-N 2.77Å; E221-Q225 WeakPolarHBondContact O-CB 3.47Å; E221-Q225 WeakPolarHBondContact O-CG 3.48Å; E221-Q225 PolarHBondContact O-N 2.99Å; E221-Q225 PolarHBondContact OE1-NE2 3.01Å |
| 222 | L | 89.6 | Confident | 86.6 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.6 | -44.9 | 174.8 | -179.7 | 65.7 | 0 | 0 | 0 | 111.8 | F180 F183 L208 A218 L226 | F180-L222 HydrophobicContact CE2-CB 3.97Å; F180-L222 HydrophobicContact CE2-CD1 4.12Å; F183-L222 HydrophobicContact CD1-CD1 3.88Å; F183-L222 HydrophobicContact CE1-CD1 3.49Å; F183-L222 VanDerWaalsContact CE1-CD1 3.49Å; F183-L222 HydrophobicContact CZ-CD1 3.91Å; L208-L222 HydrophobicContact CB-CD1 4.43Å; L208-L222 HydrophobicContact CB-CD2 3.72Å; L208-L222 HydrophobicContact CD1-CD1 4.12Å; A218-L222 VanDerWaalsContact O-CB 3.24Å; A218-L222 WeakPolarHBondContact O-CB 3.3Å; A218-L222 PolarHBondContact O-N 3.32Å; L222-L226 HydrophobicContact CD1-CD1 4.01Å; L222-L226 HydrophobicContact CD1-CG 4.17Å; L222-L226 HydrophobicContact CG-CD1 3.89Å; L222-L226 HydrophobicContact CG-CG 4.41Å; L222-L226 WeakPolarHBondContact O-CB 3.49Å; L222-L226 VanDerWaalsContact O-CG 3.24Å; L222-L226 WeakPolarHBondContact O-CG 3.29Å; L222-L226 PolarHBondContact O-N 2.87Å |
| 223 | R | 89 | Confident | 86.3 | Confident | 56 Ų | 56 | 52.6 Ų | 52.6 | 21% | 0.211 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.5 | -51.5 | 177.3 | 172.3 | -163.4 | 76.1 | -168 | 1.6 | 110.4 | A219 I220 E221 L226 M227 L252 M257 I258 | A219-R223 WeakPolarHBondContact O-CB 3.44Å; A219-R223 PolarHBondContact O-N 2.94Å; I220-R223 WeakPolarHBondContact O-CB 3.44Å; I220-R223 PolarHBondContact O-N 3.33Å; E221-R223 VanDerWaalsContact C-N 3.31Å; E221-R223 PolarHBondContact O-N 3.24Å; R223-L226 PolarHBondContact O-N 3.09Å; R223-M227 HydrophobicContact CG-CG 4.42Å; R223-M227 HydrophobicContact CG-SD 3.95Å; R223-M227 WeakPolarHBondContact O-CB 3.49Å; R223-M227 VanDerWaalsContact O-CG 3.31Å; R223-M227 WeakPolarHBondContact O-CG 3.48Å; R223-M227 PolarHBondContact O-N 2.83Å; R223-L252 HydrophobicContact CB-CD1 4.38Å; R223-M257 WeakPolarHBondContact CD-O 3.38Å; R223-M257 PolarHBondContact NH1-O 3.34Å; R223-I258 HydrophobicContact CG-CD1 3.74Å; R223-I258 HydrophobicContact CG-CG1 3.71Å |
| 224 | D | 90 | Very high | 86 | Confident | 74 Ų | 74 | 48.9 Ų | 48.9 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.5 | -39.4 | -173.7 | -66.1 | -18.9 | 0 | 0 | 0 | 111 | I220 E221 M227 A228 | I220-D224 PolarHBondContact O-N 3.07Å; E221-D224 PolarHBondContact O-N 2.77Å; D224-M227 PolarHBondContact O-N 3.33Å; D224-A228 WeakPolarHBondContact O-CB 3.4Å; D224-A228 PolarHBondContact O-N 3.16Å |
| 225 | Q | 88.8 | Confident | 85.7 | Confident | 45 Ų | 45 | 50.1 Ų | 50.1 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 173 | -71.7 | 176.7 | -1.8 | 0 | 0 | 112.2 | F183 L187 E221 A228 L229 | F183-Q225 HydrophobicContact CE1-CB 4.42Å; L187-Q225 HydrophobicContact CD1-CB 4.02Å; E221-Q225 WeakPolarHBondContact O-CB 3.47Å; E221-Q225 WeakPolarHBondContact O-CG 3.48Å; E221-Q225 PolarHBondContact O-N 2.99Å; E221-Q225 PolarHBondContact OE1-NE2 3.01Å; Q225-A228 PolarHBondContact O-N 3.04Å; Q225-L229 VanDerWaalsContact O-CB 3.25Å; Q225-L229 WeakPolarHBondContact O-CB 3.36Å; Q225-L229 PolarHBondContact O-N 3.01Å |
| 226 | L | 88 | Confident | 85.3 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66 | -39.2 | 177.3 | -74.4 | 174.3 | 0 | 0 | 0 | 112.5 | F183 V205 L222 R223 L230 L245 L249 L252 | F183-L226 HydrophobicContact CE2-CD2 4Å; F183-L226 HydrophobicContact CZ-CD2 3.72Å; F183-L226 HydrophobicContact CZ-CG 4.15Å; V205-L226 HydrophobicContact CG1-CD1 4.14Å; V205-L226 HydrophobicContact CG1-CD2 4.06Å; V205-L226 HydrophobicContact CG2-CD2 4.3Å; L222-L226 HydrophobicContact CD1-CD1 4.01Å; L222-L226 HydrophobicContact CD1-CG 4.17Å; L222-L226 HydrophobicContact CG-CD1 3.89Å; L222-L226 HydrophobicContact CG-CG 4.41Å; L222-L226 WeakPolarHBondContact O-CB 3.49Å; L222-L226 VanDerWaalsContact O-CG 3.24Å; L222-L226 WeakPolarHBondContact O-CG 3.29Å; L222-L226 PolarHBondContact O-N 2.87Å; R223-L226 PolarHBondContact O-N 3.09Å; L226-L230 WeakPolarHBondContact O-CB 3.41Å; L226-L230 PolarHBondContact O-N 2.88Å; L226-L245 HydrophobicContact CD2-CD2 4.29Å; L226-L249 HydrophobicContact CB-CD2 3.96Å; L226-L249 HydrophobicContact CD1-CD2 4.25Å; L226-L252 HydrophobicContact CD1-CD1 4.39Å |
| 227 | M | 87.7 | Confident | 85.1 | Confident | 29 Ų | 29 | 51.4 Ų | 51.4 | 14% | 0.143 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 175.7 | -74.3 | -175.6 | 63.9 | 0 | 0 | 111 | R223 D224 L229 L230 K231 D262 L266 | R223-M227 HydrophobicContact CG-CG 4.42Å; R223-M227 HydrophobicContact CG-SD 3.95Å; R223-M227 WeakPolarHBondContact O-CB 3.49Å; R223-M227 VanDerWaalsContact O-CG 3.31Å; R223-M227 WeakPolarHBondContact O-CG 3.48Å; R223-M227 PolarHBondContact O-N 2.83Å; D224-M227 PolarHBondContact O-N 3.33Å; M227-L229 PolarHBondContact O-N 3.15Å; M227-L230 PolarHBondContact O-N 3.4Å; M227-K231 WeakPolarHBondContact O-CG 3.37Å; M227-K231 PolarHBondContact O-N 3.05Å; M227-D262 HydrophobicContact CE-CB 4.23Å; M227-L266 HydrophobicContact CG-CD2 4.26Å |
| 228 | A | 87.6 | Confident | 85 | Confident | 57 Ų | 57 | 48.6 Ų | 48.6 | 47% | 0.471 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | D224 Q225 L230 K231 R232 | D224-A228 WeakPolarHBondContact O-CB 3.4Å; D224-A228 PolarHBondContact O-N 3.16Å; Q225-A228 PolarHBondContact O-N 3.04Å; A228-L230 PolarHBondContact O-N 3.49Å; A228-K231 PolarHBondContact O-N 3.17Å; A228-R232 PolarHBondContact O-N 2.95Å |
| 229 | L | 85.3 | Confident | 84.9 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.9 | -50.7 | 177 | -176.4 | 68.2 | 0 | 0 | 0 | 111.2 | L187 Q225 M227 K231 R232 S233 F237 | L187-L229 HydrophobicContact CD2-CD1 4.09Å; L187-L229 HydrophobicContact CG-CD1 4.08Å; L187-L229 HydrophobicContact CG-CD2 4.46Å; Q225-L229 VanDerWaalsContact O-CB 3.25Å; Q225-L229 WeakPolarHBondContact O-CB 3.36Å; Q225-L229 PolarHBondContact O-N 3.01Å; M227-L229 PolarHBondContact O-N 3.15Å; L229-K231 VanDerWaalsContact C-N 3.34Å; L229-K231 PolarHBondContact O-N 3.09Å; L229-R232 PolarHBondContact O-N 3.42Å; L229-S233 WeakPolarHBondContact CD1-OG 3.24Å; L229-S233 PolarHBondContact O-N 3.34Å; L229-S233 PolarHBondContact O-OG 2.91Å; L229-F237 HydrophobicContact CD1-CZ 4.05Å; L229-F237 HydrophobicContact CD2-CZ 3.9Å; L229-F237 HydrophobicContact CG-CE2 4.19Å; L229-F237 HydrophobicContact CG-CZ 3.85Å |
| 230 | L | 85.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.8 | -34.4 | 179 | -79 | 171.4 | 0 | 0 | 0 | 112.6 | L226 M227 A228 A234 L245 L249 L266 L270 | L226-L230 WeakPolarHBondContact O-CB 3.41Å; L226-L230 PolarHBondContact O-N 2.88Å; M227-L230 PolarHBondContact O-N 3.4Å; A228-L230 PolarHBondContact O-N 3.49Å; L230-A234 WeakPolarHBondContact O-CB 3.28Å; L230-A234 PolarHBondContact O-N 2.91Å; L230-L245 HydrophobicContact CD1-CB 4.37Å; L230-L245 HydrophobicContact CD2-CB 4.19Å; L230-L245 HydrophobicContact CD2-CD1 4.07Å; L230-L249 HydrophobicContact CD1-CD1 3.43Å; L230-L249 VanDerWaalsContact CD1-CD1 3.43Å; L230-L249 HydrophobicContact CD1-CG 4.31Å; L230-L266 HydrophobicContact CB-CD1 4.34Å; L230-L266 HydrophobicContact CD1-CD2 4.11Å; L230-L270 HydrophobicContact CB-CD2 4.29Å; L230-L270 HydrophobicContact CD2-CD2 4.45Å |
| 231 | K | 85.7 | Confident | 84.8 | Confident | 108 Ų | 108 | 51.3 Ų | 51.3 | 47% | 0.47 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 175.6 | -72.1 | -169.5 | -178.5 | -138.1 | 0 | 112.8 | M227 A228 L229 L266 E269 | M227-K231 WeakPolarHBondContact O-CG 3.37Å; M227-K231 PolarHBondContact O-N 3.05Å; A228-K231 PolarHBondContact O-N 3.17Å; L229-K231 VanDerWaalsContact C-N 3.34Å; L229-K231 PolarHBondContact O-N 3.09Å; K231-L266 HydrophobicContact CD-CD1 4.31Å; K231-L266 HydrophobicContact CG-CD1 3.5Å; K231-E269 WeakPolarHBondContact CD-OE2 3.39Å; K231-E269 WeakPolarHBondContact CE-OE2 3.15Å; K231-E269 VanDerWaalsContact CG-OE2 3.27Å; K231-E269 WeakPolarHBondContact CG-OE2 3.47Å; K231-E269 VanDerWaalsContact NZ-CD 3.33Å; K231-E269 IonicContact NZ-OE1 2.64Å; K231-E269 PolarHBondContact NZ-OE1 3.31Å; K231-E269 IonicContact NZ-OE2 3.33Å; K231-E269 PolarHBondContact NZ-OE2 3.36Å |
| 232 | R | 83.5 | Confident | 84.6 | Confident | 147 Ų | 147 | 48.8 Ų | 48.8 | 56% | 0.555 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -84.5 | -40.4 | -174.5 | -166.3 | 177.6 | 64.7 | -150.7 | -17.1 | 113.6 | E191 A228 L229 | E191-R232 VanDerWaalsContact CG-NH2 3.26Å; E191-R232 IonicContact OE1-CZ 2.68Å; E191-R232 IonicContact OE1-NH1 3.84Å; E191-R232 PolarHBondContact OE1-NH1 3.12Å; E191-R232 IonicContact OE1-NH2 2.68Å; E191-R232 PolarHBondContact OE1-NH2 3.45Å; E191-R232 IonicContact OE2-NH1 3.99Å; A228-R232 PolarHBondContact O-N 2.95Å; L229-R232 PolarHBondContact O-N 3.42Å |
| 233 | S | 76 | Confident | 84.5 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -120.9 | 15.3 | -164.8 | 59.1 | 0 | 0 | 0 | 0 | 114.9 | L229 S235 D236 F237 | L229-S233 WeakPolarHBondContact CD1-OG 3.24Å; L229-S233 PolarHBondContact O-N 3.34Å; L229-S233 PolarHBondContact O-OG 2.91Å; S233-S235 PolarHBondContact O-N 3.4Å; S233-D236 PolarHBondContact O-N 3.17Å; S233-D236 VanDerWaalsContact O-N 3.07Å; S233-F237 WeakPolarHBondContact O-CD2 3.41Å; S233-F237 WeakPolarHBondContact O-CE2 3.3Å; S233-F237 WeakPolarHBondContact OG-CE2 3.38Å |
| 234 | A | 76.6 | Confident | 84.5 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 7% | 0.066 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | L230 R242 L270 | L230-A234 WeakPolarHBondContact O-CB 3.28Å; L230-A234 PolarHBondContact O-N 2.91Å; A234-R242 WeakPolarHBondContact O-CD 3.33Å; A234-L270 HydrophobicContact CB-CD2 3.43Å; A234-L270 VanDerWaalsContact CB-CD2 3.43Å |
| 235 | S | 78.9 | Confident | 84.4 | Confident | 87 Ų | 87 | 44.2 Ų | 44.2 | 61% | 0.608 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -27 | 174.6 | 46.5 | 0 | 0 | 0 | 0 | 113.8 | S233 | S233-S235 PolarHBondContact O-N 3.4Š|
| 236 | D | 79.9 | Confident | 84.5 | Confident | 95 Ų | 95 | 42.1 Ų | 42.1 | 51% | 0.508 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -22.6 | -161.9 | -52.7 | -21.9 | 0 | 0 | 0 | 111.7 | S233 | S233-D236 PolarHBondContact O-N 3.17Å; S233-D236 VanDerWaalsContact O-N 3.07Å |
| 237 | F | 79.6 | Confident | 84.6 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -73.2 | 145.1 | 176.7 | -65.8 | -73.5 | 0 | 0 | 0 | 113.1 | M190 L229 S233 V241 R242 L245 | M190-F237 HydrophobicContact CE-CD1 3.83Å; M190-F237 HydrophobicContact CE-CE1 3.08Å; M190-F237 HydrophobicContact CE-CZ 3.6Å; M190-F237 HydrophobicContact SD-CE1 3.74Å; M190-F237 HydrophobicContact SD-CZ 4.23Å; L229-F237 HydrophobicContact CD1-CZ 4.05Å; L229-F237 HydrophobicContact CD2-CZ 3.9Å; L229-F237 HydrophobicContact CG-CE2 4.19Å; L229-F237 HydrophobicContact CG-CZ 3.85Å; S233-F237 WeakPolarHBondContact O-CD2 3.41Å; S233-F237 WeakPolarHBondContact O-CE2 3.3Å; S233-F237 WeakPolarHBondContact OG-CE2 3.38Å; F237-V241 HydrophobicContact CD1-CG1 3.84Å; F237-V241 HydrophobicContact CE1-CG1 4.45Å; F237-V241 HydrophobicContact CG-CG1 4.48Å; F237-R242 HydrophobicContact CB-CG 3.36Å; F237-R242 HydrophobicContact CD2-CG 4.43Å; F237-R242 HydrophobicContact CG-CG 4.27Å; F237-R242 WeakPolarHBondContact O-CD 3.29Å; F237-R242 PolarHBondContact O-NE 2.94Å; F237-L245 HydrophobicContact CD1-CD1 4.5Å; F237-L245 HydrophobicContact CE1-CD1 4.19Å; F237-L245 HydrophobicContact CE2-CD1 4.26Å; F237-L245 HydrophobicContact CZ-CD1 4.11Å |
| 238 | D | 83 | Confident | 84.6 | Confident | 100 Ų | 100 | 45.4 Ų | 45.4 | 54% | 0.535 | 25% | 0.246 | S | C | . | . | trans | -62.6 | 151.7 | 168.1 | -168.4 | 21.6 | 0 | 0 | 0 | 111.8 | P240 V241 R242 | D238-P240 HydrophobicContact CB-CG 4.41Å; D238-P240 VanDerWaalsContact CG-CD 3.46Å; D238-P240 VanDerWaalsContact OD2-CD 3.29Å; D238-P240 WeakPolarHBondContact OD2-CD 3.24Å; D238-P240 VanDerWaalsContact OD2-CG 3.23Å; D238-P240 WeakPolarHBondContact OD2-CG 3.44Å; D238-V241 HydrophobicContact CB-CG2 4.39Å; D238-V241 PolarHBondContact O-N 3.14Å; D238-R242 WeakPolarHBondContact O-CG 3.39Å; D238-R242 PolarHBondContact O-N 3.47Å; D238-R242 PolarHBondContact O-NE 3.06Å | ||
| 239 | S | 84.3 | Confident | 84.7 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -50.7 | -50.5 | -178.5 | -173.8 | 0 | 0 | 0 | 0 | 114.5 | V241 R242 V243 D275 T277 | S239-V241 VanDerWaalsContact C-N 3.34Å; S239-V241 PolarHBondContact O-N 3.42Å; S239-R242 PolarHBondContact O-N 3.03Å; S239-V243 WeakPolarHBondContact O-CG2 3.47Å; S239-V243 PolarHBondContact O-N 3.22Å; S239-V243 VanDerWaalsContact O-N 3.12Å; S239-D275 VanDerWaalsContact CB-OD2 3.29Å; S239-D275 WeakPolarHBondContact CB-OD2 3.33Å; S239-D275 PolarHBondContact OG-OD2 3.04Å; S239-T277 PolarHBondContact OG-OG1 2.92Å |
| 240 | P | 85.7 | Confident | 84.9 | Confident | 81 Ų | 81 | 44.5 Ų | 44.5 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 177.4 | 22.8 | -35.7 | 0 | 0 | 0 | 113.3 | D238 V243 A244 | D238-P240 HydrophobicContact CB-CG 4.41Å; D238-P240 VanDerWaalsContact CG-CD 3.46Å; D238-P240 VanDerWaalsContact OD2-CD 3.29Å; D238-P240 WeakPolarHBondContact OD2-CD 3.24Å; D238-P240 VanDerWaalsContact OD2-CG 3.23Å; D238-P240 WeakPolarHBondContact OD2-CG 3.44Å; P240-V243 PolarHBondContact O-N 3.38Å; P240-A244 VanDerWaalsContact O-CB 3.3Å; P240-A244 WeakPolarHBondContact O-CB 3.24Å; P240-A244 PolarHBondContact O-N 3.41Å |
| 241 | V | 85.5 | Confident | 85.1 | Confident | 39 Ų | 39 | 46.6 Ų | 46.6 | 24% | 0.236 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 179.7 | -179 | 0 | 0 | 0 | 0 | 110.1 | V202 F237 D238 S239 V243 A244 L245 | V202-V241 HydrophobicContact CG2-CG1 4.11Å; V202-V241 HydrophobicContact CG2-CG2 4.37Å; F237-V241 HydrophobicContact CD1-CG1 3.84Å; F237-V241 HydrophobicContact CE1-CG1 4.45Å; F237-V241 HydrophobicContact CG-CG1 4.48Å; D238-V241 HydrophobicContact CB-CG2 4.39Å; D238-V241 PolarHBondContact O-N 3.14Å; S239-V241 VanDerWaalsContact C-N 3.34Å; S239-V241 PolarHBondContact O-N 3.42Å; V241-V243 PolarHBondContact O-N 3.3Å; V241-A244 WeakPolarHBondContact O-CB 3.39Å; V241-A244 PolarHBondContact O-N 3.19Å; V241-A244 VanDerWaalsContact O-N 3.17Å; V241-L245 HydrophobicContact CG1-CD1 4.31Å; V241-L245 HydrophobicContact CG1-CG 4.45Å; V241-L245 WeakPolarHBondContact O-CG 3.33Å; V241-L245 PolarHBondContact O-N 3.48Å |
| 242 | R | 86.3 | Confident | 85.2 | Confident | 33 Ų | 33 | 41.5 Ų | 41.5 | 13% | 0.125 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -47 | 176.2 | -69.8 | -178.9 | -77.5 | 154.2 | -4.6 | 112.4 | A234 F237 D238 S239 A244 L245 C246 D275 L278 | A234-R242 WeakPolarHBondContact O-CD 3.33Å; F237-R242 HydrophobicContact CB-CG 3.36Å; F237-R242 HydrophobicContact CD2-CG 4.43Å; F237-R242 HydrophobicContact CG-CG 4.27Å; F237-R242 WeakPolarHBondContact O-CD 3.29Å; F237-R242 PolarHBondContact O-NE 2.94Å; D238-R242 WeakPolarHBondContact O-CG 3.39Å; D238-R242 PolarHBondContact O-N 3.47Å; D238-R242 PolarHBondContact O-NE 3.06Å; S239-R242 PolarHBondContact O-N 3.03Å; R242-A244 VanDerWaalsContact C-N 3.29Å; R242-A244 PolarHBondContact O-N 3.15Å; R242-L245 PolarHBondContact O-N 2.97Å; R242-C246 PolarHBondContact O-N 2.92Å; R242-C246 PolarHBondContact O-SG 3.02Å; R242-C246 VanDerWaalsContact O-SG 3.34Å; R242-D275 IonicContact CZ-OD2 3.43Å; R242-D275 IonicContact NH1-OD2 3.93Å; R242-D275 IonicContact NH2-OD2 2.95Å; R242-D275 PolarHBondContact NH2-OD2 2.91Å; R242-L278 HydrophobicContact CB-CD1 4.48Å |
| 243 | V | 88.4 | Confident | 85.4 | Confident | 20 Ų | 20 | 34.7 Ų | 34.7 | 12% | 0.121 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | S239 P240 V241 C246 K247 L278 F281 | S239-V243 WeakPolarHBondContact O-CG2 3.47Å; S239-V243 PolarHBondContact O-N 3.22Å; S239-V243 VanDerWaalsContact O-N 3.12Å; P240-V243 PolarHBondContact O-N 3.38Å; V241-V243 PolarHBondContact O-N 3.3Å; V243-C246 PolarHBondContact O-N 3.12Å; V243-K247 HydrophobicContact CG1-CD 4.29Å; V243-K247 VanDerWaalsContact O-CG 3.3Å; V243-K247 WeakPolarHBondContact O-CG 3.43Å; V243-K247 PolarHBondContact O-N 3.08Å; V243-L278 HydrophobicContact CG2-CB 4.49Å; V243-L278 HydrophobicContact CG2-CD1 4.16Å; V243-F281 HydrophobicContact CG1-CB 4.43Å; V243-F281 HydrophobicContact CG1-CD1 4.12Å; V243-F281 HydrophobicContact CG1-CD2 3.98Å; V243-F281 HydrophobicContact CG1-CE1 4.45Å; V243-F281 HydrophobicContact CG1-CE2 4.32Å; V243-F281 HydrophobicContact CG1-CG 3.88Å |
| 244 | A | 87.7 | Confident | 85.8 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V202 F206 P240 V241 R242 C246 K247 A248 | V202-A244 HydrophobicContact CB-CB 4.48Å; V202-A244 HydrophobicContact CG1-CB 3.59Å; V202-A244 HydrophobicContact CG2-CB 4.03Å; F206-A244 HydrophobicContact CE2-CB 4.06Å; P240-A244 VanDerWaalsContact O-CB 3.3Å; P240-A244 WeakPolarHBondContact O-CB 3.24Å; P240-A244 PolarHBondContact O-N 3.41Å; V241-A244 WeakPolarHBondContact O-CB 3.39Å; V241-A244 PolarHBondContact O-N 3.19Å; V241-A244 VanDerWaalsContact O-N 3.17Å; R242-A244 VanDerWaalsContact C-N 3.29Å; R242-A244 PolarHBondContact O-N 3.15Å; A244-C246 PolarHBondContact O-N 3.13Å; A244-K247 WeakPolarHBondContact O-CB 3.48Å; A244-K247 PolarHBondContact O-N 3.27Å; A244-A248 PolarHBondContact O-N 3.41Å |
| 245 | L | 88.4 | Confident | 86.1 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 175 | -66.7 | 176.2 | 0 | 0 | 0 | 111.7 | V205 L226 L230 F237 V241 R242 K247 A248 L249 | V205-L245 HydrophobicContact CB-CD2 4.36Å; V205-L245 HydrophobicContact CG1-CD2 3.99Å; V205-L245 HydrophobicContact CG2-CD2 4.1Å; L226-L245 HydrophobicContact CD2-CD2 4.29Å; L230-L245 HydrophobicContact CD1-CB 4.37Å; L230-L245 HydrophobicContact CD2-CB 4.19Å; L230-L245 HydrophobicContact CD2-CD1 4.07Å; F237-L245 HydrophobicContact CD1-CD1 4.5Å; F237-L245 HydrophobicContact CE1-CD1 4.19Å; F237-L245 HydrophobicContact CE2-CD1 4.26Å; F237-L245 HydrophobicContact CZ-CD1 4.11Å; V241-L245 HydrophobicContact CG1-CD1 4.31Å; V241-L245 HydrophobicContact CG1-CG 4.45Å; V241-L245 WeakPolarHBondContact O-CG 3.33Å; V241-L245 PolarHBondContact O-N 3.48Å; R242-L245 PolarHBondContact O-N 2.97Å; L245-K247 VanDerWaalsContact C-N 3.33Å; L245-K247 PolarHBondContact O-N 2.99Å; L245-A248 WeakPolarHBondContact O-CB 3.43Å; L245-A248 PolarHBondContact O-N 3.47Å; L245-A248 VanDerWaalsContact O-N 3.15Å; L245-L249 PolarHBondContact O-N 3.4Å |
| 246 | C | 89.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -35 | 175 | -68.4 | 0 | 0 | 0 | 0 | 112.7 | R242 V243 A244 A248 L249 L250 F281 L282 | R242-C246 PolarHBondContact O-N 2.92Å; R242-C246 PolarHBondContact O-SG 3.02Å; R242-C246 VanDerWaalsContact O-SG 3.34Å; V243-C246 PolarHBondContact O-N 3.12Å; A244-C246 PolarHBondContact O-N 3.13Å; C246-A248 VanDerWaalsContact C-N 3.34Å; C246-L249 PolarHBondContact O-N 3.15Å; C246-L250 PolarHBondContact O-N 3.33Å; C246-F281 HydrophobicContact CB-CD1 4.26Å; C246-F281 HydrophobicContact CB-CE1 3.69Å; C246-L282 HydrophobicContact CB-CD2 4.5Å |
| 247 | K | 90.4 | Very high | 86.4 | Confident | 101 Ų | 101 | 45 Ų | 45 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 171.9 | -75.5 | 172.1 | 179.2 | 175.3 | 0 | 111.4 | F206 V243 A244 L245 L250 L251 F281 | F206-K247 HydrophobicContact CE1-CB 4.27Å; F206-K247 HydrophobicContact CZ-CB 3.67Å; F206-K247 HydrophobicContact CZ-CD 4.35Å; V243-K247 HydrophobicContact CG1-CD 4.29Å; V243-K247 VanDerWaalsContact O-CG 3.3Å; V243-K247 WeakPolarHBondContact O-CG 3.43Å; V243-K247 PolarHBondContact O-N 3.08Å; A244-K247 WeakPolarHBondContact O-CB 3.48Å; A244-K247 PolarHBondContact O-N 3.27Å; L245-K247 VanDerWaalsContact C-N 3.33Å; L245-K247 PolarHBondContact O-N 2.99Å; K247-L250 WeakPolarHBondContact O-CB 3.49Å; K247-L250 PolarHBondContact O-N 3.25Å; K247-L251 PolarHBondContact O-N 2.9Å; K247-L251 VanDerWaalsContact O-N 3.08Å; K247-F281 HydrophobicContact CB-CZ 4.29Å; K247-F281 HydrophobicContact CD-CE2 4.33Å; K247-F281 HydrophobicContact CD-CZ 4.41Å; K247-F281 HydrophobicContact CG-CE1 4.18Å; K247-F281 HydrophobicContact CG-CE2 3.63Å; K247-F281 HydrophobicContact CG-CZ 3.29Å |
| 248 | A | 89.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V205 C209 A244 L245 C246 L250 L251 L252 | V205-A248 HydrophobicContact CG1-CB 3.67Å; C209-A248 HydrophobicContact CB-CB 4.43Å; A244-A248 PolarHBondContact O-N 3.41Å; L245-A248 WeakPolarHBondContact O-CB 3.43Å; L245-A248 PolarHBondContact O-N 3.47Å; L245-A248 VanDerWaalsContact O-N 3.15Å; C246-A248 VanDerWaalsContact C-N 3.34Å; A248-L250 VanDerWaalsContact C-N 3.33Å; A248-L250 PolarHBondContact O-N 2.91Å; A248-L251 VanDerWaalsContact O-CB 3.29Å; A248-L251 WeakPolarHBondContact O-CB 3.45Å; A248-L251 PolarHBondContact O-N 3.4Å; A248-L251 VanDerWaalsContact O-N 3.12Å; A248-L252 PolarHBondContact O-N 3.31Å; A248-L252 VanDerWaalsContact O-N 3.13Å |
| 249 | L | 89.6 | Confident | 86.9 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -37.6 | 172.7 | -71 | -177.2 | 0 | 0 | 0 | 113.1 | L226 L230 L245 C246 L251 L252 N253 I258 L263 L266 | L226-L249 HydrophobicContact CB-CD2 3.96Å; L226-L249 HydrophobicContact CD1-CD2 4.25Å; L230-L249 HydrophobicContact CD1-CD1 3.43Å; L230-L249 VanDerWaalsContact CD1-CD1 3.43Å; L230-L249 HydrophobicContact CD1-CG 4.31Å; L245-L249 PolarHBondContact O-N 3.4Å; C246-L249 PolarHBondContact O-N 3.15Å; L249-L251 VanDerWaalsContact C-N 3.26Å; L249-L251 PolarHBondContact O-N 3.04Å; L249-L252 HydrophobicContact CD2-CD1 4.29Å; L249-L252 PolarHBondContact O-N 3.19Å; L249-N253 PolarHBondContact O-N 3.27Å; L249-I258 HydrophobicContact CB-CD1 4.39Å; L249-I258 HydrophobicContact CD2-CD1 3.75Å; L249-L263 HydrophobicContact CB-CD1 4.02Å; L249-L266 HydrophobicContact CD1-CD2 3.3Å |
| 250 | L | 89.5 | Confident | 87 | Confident | 41 Ų | 41 | 43 Ų | 43 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.6 | -33.3 | 175.8 | -172.6 | 65.4 | 0 | 0 | 0 | 111.9 | C246 K247 A248 N253 T254 L263 A285 R289 | C246-L250 PolarHBondContact O-N 3.33Å; K247-L250 WeakPolarHBondContact O-CB 3.49Å; K247-L250 PolarHBondContact O-N 3.25Å; A248-L250 VanDerWaalsContact C-N 3.33Å; A248-L250 PolarHBondContact O-N 2.91Å; L250-N253 PolarHBondContact O-N 3.14Å; L250-T254 PolarHBondContact O-N 3.46Å; L250-T254 PolarHBondContact O-OG1 3.33Å; L250-L263 HydrophobicContact CD1-CD2 4.27Å; L250-A285 HydrophobicContact CD2-CB 4.29Å; L250-R289 HydrophobicContact CD1-CB 4.32Å; L250-R289 HydrophobicContact CD1-CG 4.3Å |
| 251 | L | 88.6 | Confident | 87.1 | Confident | 48 Ų | 48 | 41.1 Ų | 41.1 | 25% | 0.251 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.7 | -46.6 | 173.1 | -173.1 | 68.7 | 0 | 0 | 0 | 110.8 | C209 T210 K247 A248 L249 N253 T254 R255 | C209-L251 HydrophobicContact CB-CD2 3.98Å; T210-L251 HydrophobicContact CG2-CD2 3.57Å; K247-L251 PolarHBondContact O-N 2.9Å; K247-L251 VanDerWaalsContact O-N 3.08Å; A248-L251 VanDerWaalsContact O-CB 3.29Å; A248-L251 WeakPolarHBondContact O-CB 3.45Å; A248-L251 PolarHBondContact O-N 3.4Å; A248-L251 VanDerWaalsContact O-N 3.12Å; L249-L251 VanDerWaalsContact C-N 3.26Å; L249-L251 PolarHBondContact O-N 3.04Å; L251-N253 VanDerWaalsContact C-N 3.31Å; L251-N253 PolarHBondContact O-N 3.38Å; L251-T254 WeakPolarHBondContact O-CA 3.37Å; L251-T254 WeakPolarHBondContact O-CB 3.44Å; L251-T254 PolarHBondContact O-N 3.16Å; L251-R255 WeakPolarHBondContact O-CG 3.5Å; L251-R255 PolarHBondContact O-N 3.04Å; L251-R255 VanDerWaalsContact O-N 3.16Å |
| 252 | L | 87.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.5 | -38.3 | 175.7 | -68.5 | 178.9 | 0 | 0 | 0 | 112.5 | C209 A212 R223 L226 A248 L249 T254 R255 K256 M257 I258 | C209-L252 HydrophobicContact CB-CD2 4.07Å; C209-L252 HydrophobicContact CB-CG 4.16Å; A212-L252 HydrophobicContact CB-CD2 3.7Å; R223-L252 HydrophobicContact CB-CD1 4.38Å; L226-L252 HydrophobicContact CD1-CD1 4.39Å; A248-L252 PolarHBondContact O-N 3.31Å; A248-L252 VanDerWaalsContact O-N 3.13Å; L249-L252 HydrophobicContact CD2-CD1 4.29Å; L249-L252 PolarHBondContact O-N 3.19Å; L252-T254 VanDerWaalsContact C-N 3.32Å; L252-T254 PolarHBondContact O-N 3.47Å; L252-R255 CarbonylContact O-C 3.56Å; L252-R255 PolarHBondContact O-N 3.13Å; L252-K256 PolarHBondContact O-N 3.32Å; L252-M257 PolarHBondContact O-N 3.21Å; L252-M257 VanDerWaalsContact O-N 3.13Å; L252-I258 HydrophobicContact CB-CD1 3.63Å; L252-I258 HydrophobicContact CB-CG1 3.79Å; L252-I258 HydrophobicContact CD1-CD1 4.06Å |
| 253 | N | 87.8 | Confident | 87.4 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.3 | -36.4 | 173.8 | -171.3 | -85.7 | 0 | 0 | 0 | 111.9 | L249 L250 L251 R255 K256 I258 L263 R289 | L249-N253 PolarHBondContact O-N 3.27Å; L250-N253 PolarHBondContact O-N 3.14Å; L251-N253 VanDerWaalsContact C-N 3.31Å; L251-N253 PolarHBondContact O-N 3.38Å; N253-R255 PolarHBondContact O-N 3.04Å; N253-K256 PolarHBondContact O-N 3.47Å; N253-I258 HydrophobicContact CB-CB 4.39Å; N253-I258 PolarHBondContact ND2-O 3.15Å; N253-L263 HydrophobicContact CB-CD2 3.96Å; N253-R289 PolarHBondContact O-NH2 2.79Å; N253-R289 PolarHBondContact OD1-NE 3.32Å; N253-R289 PolarHBondContact OD1-NH2 3.32Å |
| 254 | T | 85.6 | Confident | 87.4 | Confident | 78 Ų | 78 | 40.9 Ų | 40.9 | 48% | 0.479 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.4 | -32.4 | 175.4 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | L250 L251 L252 K256 R289 | L250-T254 PolarHBondContact O-N 3.46Å; L250-T254 PolarHBondContact O-OG1 3.33Å; L251-T254 WeakPolarHBondContact O-CA 3.37Å; L251-T254 WeakPolarHBondContact O-CB 3.44Å; L251-T254 PolarHBondContact O-N 3.16Å; L252-T254 VanDerWaalsContact C-N 3.32Å; L252-T254 PolarHBondContact O-N 3.47Å; T254-K256 VanDerWaalsContact C-N 3.28Å; T254-K256 PolarHBondContact O-N 3.47Å; T254-R289 PolarHBondContact OG1-NH1 3.4Å |
| 255 | R | 82.4 | Confident | 87.4 | Confident | 104 Ų | 104 | 41.6 Ų | 41.6 | 39% | 0.392 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 3.2 | 173.6 | -56.9 | -68.4 | -170.8 | 166.4 | 11.9 | 114.3 | Q213 L251 L252 N253 M257 | Q213-R255 VanDerWaalsContact OE1-NH2 3.08Å; L251-R255 WeakPolarHBondContact O-CG 3.5Å; L251-R255 PolarHBondContact O-N 3.04Å; L251-R255 VanDerWaalsContact O-N 3.16Å; L252-R255 CarbonylContact O-C 3.56Å; L252-R255 PolarHBondContact O-N 3.13Å; N253-R255 PolarHBondContact O-N 3.04Å; R255-M257 VanDerWaalsContact C-N 3.3Å; R255-M257 HydrophobicContact CB-CG 4.21Å; R255-M257 PolarHBondContact O-N 3.41Å |
| 256 | K | 82.5 | Confident | 87.4 | Confident | 188 Ų | 188 | 41.6 Ų | 41.6 | 82% | 0.817 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 21.9 | -177.7 | -54.6 | 179.9 | 179.3 | 176.7 | 0 | 115.6 | L252 N253 T254 | L252-K256 PolarHBondContact O-N 3.32Å; N253-K256 PolarHBondContact O-N 3.47Å; T254-K256 VanDerWaalsContact C-N 3.28Å; T254-K256 PolarHBondContact O-N 3.47Å |
| 257 | M | 82.2 | Confident | 87.3 | Confident | 50 Ų | 50 | 41.7 Ų | 41.7 | 25% | 0.246 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -84.2 | -19.4 | 177.1 | -58.4 | -56.9 | 177.7 | 0 | 0 | 113.4 | R223 L252 R255 | R223-M257 WeakPolarHBondContact CD-O 3.38Å; R223-M257 PolarHBondContact NH1-O 3.34Å; L252-M257 PolarHBondContact O-N 3.21Å; L252-M257 VanDerWaalsContact O-N 3.13Å; R255-M257 VanDerWaalsContact C-N 3.3Å; R255-M257 HydrophobicContact CB-CG 4.21Å; R255-M257 PolarHBondContact O-N 3.41Å |
| 258 | I | 85.4 | Confident | 87.1 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.036 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -120.5 | 132.2 | 177.3 | -43.8 | -170.2 | 0 | 0 | 0 | 108.2 | R223 L249 L252 N253 L263 | R223-I258 HydrophobicContact CG-CD1 3.74Å; R223-I258 HydrophobicContact CG-CG1 3.71Å; L249-I258 HydrophobicContact CB-CD1 4.39Å; L249-I258 HydrophobicContact CD2-CD1 3.75Å; L252-I258 HydrophobicContact CB-CD1 3.63Å; L252-I258 HydrophobicContact CB-CG1 3.79Å; L252-I258 HydrophobicContact CD1-CD1 4.06Å; N253-I258 HydrophobicContact CB-CB 4.39Å; N253-I258 PolarHBondContact ND2-O 3.15Å; I258-L263 HydrophobicContact CG2-CB 4.35Å |
| 259 | C | 87.2 | Confident | 87 | Confident | 80 Ų | 80 | 40.8 Ų | 40.8 | 54% | 0.541 | 22% | 0.215 | S | C | . | . | trans | -68.1 | 143.8 | 170.1 | -68.6 | 0 | 0 | 0 | 0 | 110.5 | S261 D262 L263 | C259-S261 VanDerWaalsContact C-N 3.25Å; C259-S261 PolarHBondContact O-N 3.17Å; C259-D262 WeakPolarHBondContact CB-OD2 3.29Å; C259-D262 PolarHBondContact O-N 3.49Å; C259-L263 PolarHBondContact O-N 3.4Å | ||
| 260 | L | 87.4 | Confident | 86.9 | Confident | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65 | -31.7 | -179.5 | -176 | 59.7 | 0 | 0 | 0 | 112.2 | L263 V264 R289 L290 L302 L306 | L260-L263 HydrophobicContact CD1-CD2 4.2Å; L260-L263 PolarHBondContact O-N 3Å; L260-V264 HydrophobicContact CD1-CG2 4.28Å; L260-V264 HydrophobicContact CG-CG2 4.39Å; L260-V264 VanDerWaalsContact O-CG2 3.31Å; L260-V264 WeakPolarHBondContact O-CG2 3.37Å; L260-V264 PolarHBondContact O-N 3.05Å; L260-R289 HydrophobicContact CD1-CB 4.48Å; L260-R289 HydrophobicContact CD1-CG 3.68Å; L260-L290 HydrophobicContact CD2-CD2 3.64Å; L260-L290 HydrophobicContact CD2-CG 4.41Å; L260-L302 HydrophobicContact CB-CD1 4.25Å; L260-L302 HydrophobicContact CB-CD2 4.24Å; L260-L302 HydrophobicContact CD2-CD2 3.99Å; L260-L306 HydrophobicContact CD2-CD1 3.93Å; L260-L306 HydrophobicContact CG-CD1 4.19Å |
| 261 | S | 87.8 | Confident | 86.7 | Confident | 40 Ų | 40 | 39.2 Ų | 39.2 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.7 | -46.8 | 175.9 | -51.6 | 0 | 0 | 0 | 0 | 112.2 | C259 V264 G265 | C259-S261 VanDerWaalsContact C-N 3.25Å; C259-S261 PolarHBondContact O-N 3.17Å; S261-V264 PolarHBondContact O-N 2.94Å; S261-G265 PolarHBondContact O-N 3.2Å |
| 262 | D | 87.6 | Confident | 86.4 | Confident | 83 Ų | 83 | 43.7 Ų | 43.7 | 44% | 0.444 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.1 | -37.7 | -178.9 | -54.5 | -28.9 | 0 | 0 | 0 | 111.2 | M227 C259 G265 L266 | M227-D262 HydrophobicContact CE-CB 4.23Å; C259-D262 WeakPolarHBondContact CB-OD2 3.29Å; C259-D262 PolarHBondContact O-N 3.49Å; D262-G265 PolarHBondContact O-N 3.27Å; D262-L266 PolarHBondContact O-N 3.38Å |
| 263 | L | 89.6 | Confident | 86 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 174.6 | -174.8 | 69.2 | 0 | 0 | 0 | 111.5 | L249 L250 N253 I258 C259 L260 L266 F267 | L249-L263 HydrophobicContact CB-CD1 4.02Å; L250-L263 HydrophobicContact CD1-CD2 4.27Å; N253-L263 HydrophobicContact CB-CD2 3.96Å; I258-L263 HydrophobicContact CG2-CB 4.35Å; C259-L263 PolarHBondContact O-N 3.4Å; L260-L263 HydrophobicContact CD1-CD2 4.2Å; L260-L263 PolarHBondContact O-N 3Å; L263-L266 PolarHBondContact O-N 3.49Å; L263-F267 HydrophobicContact CD1-CD1 4.26Å; L263-F267 HydrophobicContact CD1-CE1 3.56Å; L263-F267 HydrophobicContact CD1-CE2 4.3Å; L263-F267 HydrophobicContact CD1-CZ 3.58Å; L263-F267 HydrophobicContact CD2-CE2 4.05Å; L263-F267 HydrophobicContact CD2-CZ 3.96Å; L263-F267 HydrophobicContact CG-CD1 4.46Å; L263-F267 HydrophobicContact CG-CD2 4.36Å; L263-F267 HydrophobicContact CG-CE1 3.98Å; L263-F267 HydrophobicContact CG-CE2 3.86Å; L263-F267 HydrophobicContact CG-CZ 3.66Å; L263-F267 WeakPolarHBondContact O-CB 3.37Å; L263-F267 WeakPolarHBondContact O-CD1 3.45Å; L263-F267 WeakPolarHBondContact O-CG 3.3Å; L263-F267 PolarHBondContact O-N 2.97Å |
| 264 | V | 88.7 | Confident | 85.5 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | L260 S261 L266 F267 L268 T286 L306 F310 | L260-V264 HydrophobicContact CD1-CG2 4.28Å; L260-V264 HydrophobicContact CG-CG2 4.39Å; L260-V264 VanDerWaalsContact O-CG2 3.31Å; L260-V264 WeakPolarHBondContact O-CG2 3.37Å; L260-V264 PolarHBondContact O-N 3.05Å; S261-V264 PolarHBondContact O-N 2.94Å; V264-L266 PolarHBondContact O-N 2.84Å; V264-F267 PolarHBondContact O-N 3.36Å; V264-L268 HydrophobicContact CG1-CD1 3.91Å; V264-L268 HydrophobicContact CG1-CG 4.34Å; V264-L268 VanDerWaalsContact O-CG 3.26Å; V264-L268 WeakPolarHBondContact O-CG 3.08Å; V264-L268 PolarHBondContact O-N 3.45Å; V264-T286 HydrophobicContact CG2-CG2 4.3Å; V264-L306 HydrophobicContact CB-CD2 4.09Å; V264-L306 HydrophobicContact CG1-CD2 4.25Å; V264-L306 HydrophobicContact CG2-CD2 4.03Å; V264-F310 HydrophobicContact CG1-CE1 3.98Å; V264-F310 HydrophobicContact CG1-CE2 4.34Å; V264-F310 HydrophobicContact CG1-CZ 3.59Å |
| 265 | G | 88.3 | Confident | 85.4 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56 | -48 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S261 D262 F267 L268 E269 | S261-G265 PolarHBondContact O-N 3.2Å; D262-G265 PolarHBondContact O-N 3.27Å; G265-F267 PolarHBondContact O-N 2.93Å; G265-L268 PolarHBondContact O-N 3.29Å; G265-E269 PolarHBondContact O-N 3.48Å; G265-E269 VanDerWaalsContact O-N 3.15Å |
| 266 | L | 87.5 | Confident | 85.6 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 174.4 | -176.1 | 73 | 0 | 0 | 0 | 111.8 | M227 L230 K231 L249 D262 L263 V264 L268 E269 L270 | M227-L266 HydrophobicContact CG-CD2 4.26Å; L230-L266 HydrophobicContact CB-CD1 4.34Å; L230-L266 HydrophobicContact CD1-CD2 4.11Å; K231-L266 HydrophobicContact CD-CD1 4.31Å; K231-L266 HydrophobicContact CG-CD1 3.5Å; L249-L266 HydrophobicContact CD1-CD2 3.3Å; D262-L266 PolarHBondContact O-N 3.38Å; L263-L266 PolarHBondContact O-N 3.49Å; V264-L266 PolarHBondContact O-N 2.84Å; L266-L268 VanDerWaalsContact C-N 3.27Å; L266-L268 PolarHBondContact O-N 3.01Å; L266-E269 PolarHBondContact O-N 3.07Å; L266-E269 VanDerWaalsContact O-N 3.16Å; L266-L270 HydrophobicContact CG-CD1 4.19Å; L266-L270 HydrophobicContact CG-CG 4.42Å; L266-L270 WeakPolarHBondContact O-CG 3.2Å; L266-L270 PolarHBondContact O-N 2.99Å |
| 267 | F | 89.3 | Confident | 85.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60 | -38.9 | 179.6 | -71.6 | -5.3 | 0 | 0 | 0 | 112 | L263 V264 G265 L270 L271 L282 A285 T286 | L263-F267 HydrophobicContact CD1-CD1 4.26Å; L263-F267 HydrophobicContact CD1-CE1 3.56Å; L263-F267 HydrophobicContact CD1-CE2 4.3Å; L263-F267 HydrophobicContact CD1-CZ 3.58Å; L263-F267 HydrophobicContact CD2-CE2 4.05Å; L263-F267 HydrophobicContact CD2-CZ 3.96Å; L263-F267 HydrophobicContact CG-CD1 4.46Å; L263-F267 HydrophobicContact CG-CD2 4.36Å; L263-F267 HydrophobicContact CG-CE1 3.98Å; L263-F267 HydrophobicContact CG-CE2 3.86Å; L263-F267 HydrophobicContact CG-CZ 3.66Å; L263-F267 WeakPolarHBondContact O-CB 3.37Å; L263-F267 WeakPolarHBondContact O-CD1 3.45Å; L263-F267 WeakPolarHBondContact O-CG 3.3Å; L263-F267 PolarHBondContact O-N 2.97Å; V264-F267 PolarHBondContact O-N 3.36Å; G265-F267 PolarHBondContact O-N 2.93Å; F267-L270 HydrophobicContact CD1-CD1 4.37Å; F267-L270 PolarHBondContact O-N 2.81Å; F267-L271 WeakPolarHBondContact O-CG 3.25Å; F267-L271 PolarHBondContact O-N 3.07Å; F267-L282 HydrophobicContact CB-CD2 4.18Å; F267-L282 HydrophobicContact CD1-CD2 3.51Å; F267-L282 HydrophobicContact CD2-CD2 4.06Å; F267-L282 HydrophobicContact CE1-CD2 3.75Å; F267-L282 HydrophobicContact CE2-CD2 4.28Å; F267-L282 HydrophobicContact CG-CD2 3.67Å; F267-L282 HydrophobicContact CZ-CD2 4.13Å; F267-A285 HydrophobicContact CE2-CB 4.37Å; F267-T286 WeakPolarHBondContact CD2-OG1 3.46Å |
| 268 | L | 86.2 | Confident | 86.1 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.3 | -37.6 | 176.9 | -68.1 | 165.5 | 0 | 0 | 0 | 112.1 | V264 G265 L266 L271 F310 I321 F324 | V264-L268 HydrophobicContact CG1-CD1 3.91Å; V264-L268 HydrophobicContact CG1-CG 4.34Å; V264-L268 VanDerWaalsContact O-CG 3.26Å; V264-L268 WeakPolarHBondContact O-CG 3.08Å; V264-L268 PolarHBondContact O-N 3.45Å; G265-L268 PolarHBondContact O-N 3.29Å; L266-L268 VanDerWaalsContact C-N 3.27Å; L266-L268 PolarHBondContact O-N 3.01Å; L268-L271 HydrophobicContact CD2-CD1 3.97Å; L268-L271 WeakPolarHBondContact O-CB 3.47Å; L268-L271 PolarHBondContact O-N 2.65Å; L268-F310 HydrophobicContact CD2-CE1 4.47Å; L268-I321 HydrophobicContact CD2-CG2 4.03Å; L268-F324 HydrophobicContact CD2-CD1 3.84Å; L268-F324 HydrophobicContact CD2-CE1 4.11Å |
| 269 | E | 86.4 | Confident | 86.3 | Confident | 77 Ų | 77 | 50.6 Ų | 50.6 | 36% | 0.36 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.5 | -40.9 | 173 | -69.6 | 172.6 | -165.4 | 0 | 0 | 111.7 | K231 G265 L266 L271 K272 | K231-E269 WeakPolarHBondContact CD-OE2 3.39Å; K231-E269 WeakPolarHBondContact CE-OE2 3.15Å; K231-E269 VanDerWaalsContact CG-OE2 3.27Å; K231-E269 WeakPolarHBondContact CG-OE2 3.47Å; K231-E269 VanDerWaalsContact NZ-CD 3.33Å; K231-E269 IonicContact NZ-OE1 2.64Å; K231-E269 PolarHBondContact NZ-OE1 3.31Å; K231-E269 IonicContact NZ-OE2 3.33Å; K231-E269 PolarHBondContact NZ-OE2 3.36Å; G265-E269 PolarHBondContact O-N 3.48Å; G265-E269 VanDerWaalsContact O-N 3.15Å; L266-E269 PolarHBondContact O-N 3.07Å; L266-E269 VanDerWaalsContact O-N 3.16Å; E269-L271 PolarHBondContact O-N 3.36Å; E269-K272 WeakPolarHBondContact O-CB 3.46Å; E269-K272 WeakPolarHBondContact O-CG 3.47Å; E269-K272 PolarHBondContact O-N 3.22Å |
| 270 | L | 87.1 | Confident | 86.4 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.2 | -20.9 | 178 | -68.7 | 176.1 | 0 | 0 | 0 | 113.6 | L230 A234 L266 F267 K272 C273 L282 | L230-L270 HydrophobicContact CB-CD2 4.29Å; L230-L270 HydrophobicContact CD2-CD2 4.45Å; A234-L270 HydrophobicContact CB-CD2 3.43Å; A234-L270 VanDerWaalsContact CB-CD2 3.43Å; L266-L270 HydrophobicContact CG-CD1 4.19Å; L266-L270 HydrophobicContact CG-CG 4.42Å; L266-L270 WeakPolarHBondContact O-CG 3.2Å; L266-L270 PolarHBondContact O-N 2.99Å; F267-L270 HydrophobicContact CD1-CD1 4.37Å; F267-L270 PolarHBondContact O-N 2.81Å; L270-K272 PolarHBondContact O-N 3.27Å; L270-K272 VanDerWaalsContact O-N 3.15Å; L270-C273 VanDerWaalsContact O-CB 3.3Å; L270-C273 WeakPolarHBondContact O-CB 3.4Å; L270-C273 PolarHBondContact O-N 2.87Å; L270-C273 PolarHBondContact O-SG 2.78Å; L270-L282 HydrophobicContact CB-CD1 4.07Å |
| 271 | L | 84.6 | Confident | 86.5 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17 | 175.8 | -64.7 | 174.4 | 0 | 0 | 0 | 113.5 | F267 L268 E269 C273 R279 L282 I321 F324 | F267-L271 WeakPolarHBondContact O-CG 3.25Å; F267-L271 PolarHBondContact O-N 3.07Å; L268-L271 HydrophobicContact CD2-CD1 3.97Å; L268-L271 WeakPolarHBondContact O-CB 3.47Å; L268-L271 PolarHBondContact O-N 2.65Å; E269-L271 PolarHBondContact O-N 3.36Å; L271-C273 PolarHBondContact O-N 2.94Å; L271-R279 HydrophobicContact CD2-CG 3.85Å; L271-L282 HydrophobicContact CD2-CD1 4.01Å; L271-I321 HydrophobicContact CB-CG1 4.44Å; L271-I321 HydrophobicContact CD1-CG1 4.43Å; L271-F324 HydrophobicContact CD1-CB 3.48Å; L271-F324 VanDerWaalsContact CD1-CB 3.48Å; L271-F324 HydrophobicContact CD1-CD1 3.59Å; L271-F324 HydrophobicContact CD1-CD2 3.88Å; L271-F324 HydrophobicContact CD1-CE1 4.24Å; L271-F324 HydrophobicContact CD1-CE2 4.47Å; L271-F324 HydrophobicContact CD1-CG 3.37Å; L271-F324 HydrophobicContact CD2-CB 4.48Å; L271-F324 HydrophobicContact CD2-CD2 3.63Å; L271-F324 HydrophobicContact CD2-CE2 3.92Å; L271-F324 HydrophobicContact CD2-CG 4.05Å; L271-F324 HydrophobicContact CG-CD2 4.4Å; L271-F324 HydrophobicContact CG-CG 4.35Å |
| 272 | K | 82.3 | Confident | 86.7 | Confident | 142 Ų | 142 | 49.5 Ų | 49.5 | 62% | 0.617 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -24.2 | 173 | -65.3 | 177.5 | -177.2 | 176.3 | 0 | 111.7 | E269 L270 | E269-K272 WeakPolarHBondContact O-CB 3.46Å; E269-K272 WeakPolarHBondContact O-CG 3.47Å; E269-K272 PolarHBondContact O-N 3.22Å; L270-K272 PolarHBondContact O-N 3.27Å; L270-K272 VanDerWaalsContact O-N 3.15Å |
| 273 | C | 79.7 | Confident | 86.8 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -69.6 | 135.5 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | L270 L271 D275 L278 | L270-C273 VanDerWaalsContact O-CB 3.3Å; L270-C273 WeakPolarHBondContact O-CB 3.4Å; L270-C273 PolarHBondContact O-N 2.87Å; L270-C273 PolarHBondContact O-SG 2.78Å; L271-C273 PolarHBondContact O-N 2.94Å; C273-D275 PolarHBondContact O-N 2.82Å; C273-L278 HydrophobicContact CB-CD2 4.39Å |
| 274 | R | 78 | Confident | 86.9 | Confident | 253 Ų | 253 | 49.6 Ų | 49.6 | 96% | 0.955 | 23% | 0.233 | S | C | * | . | trans | -78.1 | 51.6 | 179.4 | -64.3 | -176.2 | 179.3 | 168.3 | 1 | 113 | ||||
| 275 | D | 83.4 | Confident | 87 | Confident | 14 Ų | 14 | 49.8 Ų | 49.8 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | trans | -118.6 | 125.1 | 178.5 | -171.5 | -6.9 | 0 | 0 | 0 | 111.5 | S239 R242 C273 T277 L278 R279 | S239-D275 VanDerWaalsContact CB-OD2 3.29Å; S239-D275 WeakPolarHBondContact CB-OD2 3.33Å; S239-D275 PolarHBondContact OG-OD2 3.04Å; R242-D275 IonicContact CZ-OD2 3.43Å; R242-D275 IonicContact NH1-OD2 3.93Å; R242-D275 IonicContact NH2-OD2 2.95Å; R242-D275 PolarHBondContact NH2-OD2 2.91Å; C273-D275 PolarHBondContact O-N 2.82Å; D275-T277 PolarHBondContact OD1-N 3.45Å; D275-T277 PolarHBondContact OD1-OG1 2.68Å; D275-T277 PolarHBondContact OD2-OG1 2.62Å; D275-L278 HydrophobicContact CB-CB 3.83Å; D275-R279 VanDerWaalsContact O-CG 3.22Å; D275-R279 WeakPolarHBondContact O-CG 3.41Å; D275-R279 PolarHBondContact O-N 2.89Å; D275-R279 PolarHBondContact O-NE 3.04Å | ||
| 276 | K | 86.1 | Confident | 87.1 | Confident | 121 Ų | 121 | 48.6 Ų | 48.6 | 53% | 0.526 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -77.8 | -39.9 | 178.8 | -175.8 | -177.4 | 172.3 | -168.4 | 0 | 111.4 | R279 M280 | K276-R279 PolarHBondContact O-N 3.34Å; K276-M280 WeakPolarHBondContact O-CG 3.48Å; K276-M280 PolarHBondContact O-N 2.88Å; K276-M280 VanDerWaalsContact O-N 3.08Å |
| 277 | T | 88.5 | Confident | 87.2 | Confident | 81 Ų | 81 | 48.5 Ų | 48.5 | 50% | 0.497 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.5 | -44.3 | -177.5 | 64.3 | 0 | 0 | 0 | 0 | 109.6 | S239 D275 R279 M280 F281 | S239-T277 PolarHBondContact OG-OG1 2.92Å; D275-T277 PolarHBondContact OD1-N 3.45Å; D275-T277 PolarHBondContact OD1-OG1 2.68Å; D275-T277 PolarHBondContact OD2-OG1 2.62Å; T277-R279 PolarHBondContact O-N 2.88Å; T277-M280 PolarHBondContact O-N 3.48Å; T277-F281 WeakPolarHBondContact O-CB 3.25Å; T277-F281 PolarHBondContact O-N 3.33Å |
| 278 | L | 88.1 | Confident | 87.3 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.2 | -48.9 | 174.4 | -177.7 | 63.4 | 0 | 0 | 0 | 111.2 | R242 V243 C273 D275 M280 F281 L282 | R242-L278 HydrophobicContact CB-CD1 4.48Å; V243-L278 HydrophobicContact CG2-CB 4.49Å; V243-L278 HydrophobicContact CG2-CD1 4.16Å; C273-L278 HydrophobicContact CB-CD2 4.39Å; D275-L278 HydrophobicContact CB-CB 3.83Å; L278-M280 VanDerWaalsContact C-N 3.34Å; L278-M280 PolarHBondContact O-N 3.41Å; L278-F281 CarbonylContact O-C 3.46Å; L278-F281 WeakPolarHBondContact O-CB 3.31Å; L278-F281 PolarHBondContact O-N 3.06Å; L278-F281 VanDerWaalsContact O-N 3.16Å; L278-L282 HydrophobicContact CD1-CD1 4.22Å; L278-L282 HydrophobicContact CD1-CD2 4.3Å; L278-L282 HydrophobicContact CD1-CG 4.03Å; L278-L282 HydrophobicContact CD2-CD1 4.49Å; L278-L282 HydrophobicContact CG-CD1 3.91Å; L278-L282 HydrophobicContact CG-CG 4.13Å; L278-L282 WeakPolarHBondContact O-CB 3.32Å; L278-L282 VanDerWaalsContact O-CG 3.23Å; L278-L282 WeakPolarHBondContact O-CG 3.18Å; L278-L282 PolarHBondContact O-N 3.45Å |
| 279 | R | 88.8 | Confident | 87.5 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 33% | 0.328 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.9 | -40.7 | 180 | -76.4 | -178.7 | -66.8 | 160.8 | -2.2 | 113.1 | L271 D275 K276 T277 F283 | L271-R279 HydrophobicContact CD2-CG 3.85Å; D275-R279 VanDerWaalsContact O-CG 3.22Å; D275-R279 WeakPolarHBondContact O-CG 3.41Å; D275-R279 PolarHBondContact O-N 2.89Å; D275-R279 PolarHBondContact O-NE 3.04Å; K276-R279 PolarHBondContact O-N 3.34Å; T277-R279 PolarHBondContact O-N 2.88Å; R279-F283 WeakPolarHBondContact O-CB 3.32Å; R279-F283 PolarHBondContact O-N 2.91Å |
| 280 | M | 88.8 | Confident | 87.6 | Confident | 63 Ų | 63 | 48.7 Ų | 48.7 | 31% | 0.31 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.6 | -45.5 | 174.4 | -71.5 | -63 | -64.3 | 0 | 0 | 111 | K276 T277 L278 F283 T284 C373 | K276-M280 WeakPolarHBondContact O-CG 3.48Å; K276-M280 PolarHBondContact O-N 2.88Å; K276-M280 VanDerWaalsContact O-N 3.08Å; T277-M280 PolarHBondContact O-N 3.48Å; L278-M280 VanDerWaalsContact C-N 3.34Å; L278-M280 PolarHBondContact O-N 3.41Å; M280-F283 PolarHBondContact O-N 3.49Å; M280-T284 WeakPolarHBondContact O-CB 3.48Å; M280-T284 PolarHBondContact O-N 3.45Å; M280-T284 PolarHBondContact O-OG1 3.4Å; M280-C373 HydrophobicContact CE-CB 4.02Å; M280-C373 VanDerWaalsContact CE-SG 3.55Å; M280-C373 HydrophobicContact SD-CB 3.91Å |
| 281 | F | 90.6 | Very high | 87.7 | Confident | 45 Ų | 45 | 53.8 Ų | 53.8 | 20% | 0.197 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.8 | -48.3 | 176.5 | 175 | -98.4 | 0 | 0 | 0 | 112 | V243 C246 K247 T277 L278 F283 T284 A285 | V243-F281 HydrophobicContact CG1-CB 4.43Å; V243-F281 HydrophobicContact CG1-CD1 4.12Å; V243-F281 HydrophobicContact CG1-CD2 3.98Å; V243-F281 HydrophobicContact CG1-CE1 4.45Å; V243-F281 HydrophobicContact CG1-CE2 4.32Å; V243-F281 HydrophobicContact CG1-CG 3.88Å; C246-F281 HydrophobicContact CB-CD1 4.26Å; C246-F281 HydrophobicContact CB-CE1 3.69Å; K247-F281 HydrophobicContact CB-CZ 4.29Å; K247-F281 HydrophobicContact CD-CE2 4.33Å; K247-F281 HydrophobicContact CD-CZ 4.41Å; K247-F281 HydrophobicContact CG-CE1 4.18Å; K247-F281 HydrophobicContact CG-CE2 3.63Å; K247-F281 HydrophobicContact CG-CZ 3.29Å; T277-F281 WeakPolarHBondContact O-CB 3.25Å; T277-F281 PolarHBondContact O-N 3.33Å; L278-F281 CarbonylContact O-C 3.46Å; L278-F281 WeakPolarHBondContact O-CB 3.31Å; L278-F281 PolarHBondContact O-N 3.06Å; L278-F281 VanDerWaalsContact O-N 3.16Å; F281-F283 VanDerWaalsContact C-N 3.34Å; F281-F283 PolarHBondContact O-N 3.44Å; F281-T284 PolarHBondContact O-N 3.49Å; F281-A285 HydrophobicContact CE1-CB 4.34Å; F281-A285 HydrophobicContact CZ-CB 4.35Å; F281-A285 WeakPolarHBondContact O-CB 3.43Å; F281-A285 PolarHBondContact O-N 3.34Å |
| 282 | L | 91.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 178.1 | -68.9 | 178.1 | 0 | 0 | 0 | 111 | C246 F267 L270 L271 L278 A285 T286 F324 | C246-L282 HydrophobicContact CB-CD2 4.5Å; F267-L282 HydrophobicContact CB-CD2 4.18Å; F267-L282 HydrophobicContact CD1-CD2 3.51Å; F267-L282 HydrophobicContact CD2-CD2 4.06Å; F267-L282 HydrophobicContact CE1-CD2 3.75Å; F267-L282 HydrophobicContact CE2-CD2 4.28Å; F267-L282 HydrophobicContact CG-CD2 3.67Å; F267-L282 HydrophobicContact CZ-CD2 4.13Å; L270-L282 HydrophobicContact CB-CD1 4.07Å; L271-L282 HydrophobicContact CD2-CD1 4.01Å; L278-L282 HydrophobicContact CD1-CD1 4.22Å; L278-L282 HydrophobicContact CD1-CD2 4.3Å; L278-L282 HydrophobicContact CD1-CG 4.03Å; L278-L282 HydrophobicContact CD2-CD1 4.49Å; L278-L282 HydrophobicContact CG-CD1 3.91Å; L278-L282 HydrophobicContact CG-CG 4.13Å; L278-L282 WeakPolarHBondContact O-CB 3.32Å; L278-L282 VanDerWaalsContact O-CG 3.23Å; L278-L282 WeakPolarHBondContact O-CG 3.18Å; L278-L282 PolarHBondContact O-N 3.45Å; L282-A285 PolarHBondContact O-N 3.26Å; L282-T286 WeakPolarHBondContact O-CB 3.36Å; L282-T286 PolarHBondContact O-N 3.15Å; L282-T286 PolarHBondContact O-OG1 3.1Å; L282-F324 HydrophobicContact CB-CE2 4.2Å; L282-F324 HydrophobicContact CB-CZ 4.44Å |
| 283 | F | 90.4 | Very high | 87.9 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 10% | 0.101 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.5 | -52.5 | 177.2 | 171.5 | -101.3 | 0 | 0 | 0 | 111.4 | R279 M280 F281 A285 T286 V287 F324 L327 V328 D331 | R279-F283 WeakPolarHBondContact O-CB 3.32Å; R279-F283 PolarHBondContact O-N 2.91Å; M280-F283 PolarHBondContact O-N 3.49Å; F281-F283 VanDerWaalsContact C-N 3.34Å; F281-F283 PolarHBondContact O-N 3.44Å; F283-A285 VanDerWaalsContact C-N 3.31Å; F283-A285 PolarHBondContact O-N 2.96Å; F283-T286 PolarHBondContact O-N 2.81Å; F283-V287 HydrophobicContact CD2-CG2 4.26Å; F283-V287 HydrophobicContact CE1-CG2 4.41Å; F283-V287 HydrophobicContact CE2-CG2 3.84Å; F283-V287 HydrophobicContact CZ-CG2 3.94Å; F283-V287 WeakPolarHBondContact O-CB 3.16Å; F283-V287 WeakPolarHBondContact O-CG2 3.17Å; F283-V287 PolarHBondContact O-N 3.15Å; F283-F324 HydrophobicContact CB-CD2 4.4Å; F283-F324 HydrophobicContact CB-CE2 3.78Å; F283-L327 HydrophobicContact CD2-CB 4.24Å; F283-L327 HydrophobicContact CE2-CB 3.79Å; F283-V328 HydrophobicContact CD2-CG2 3.8Å; F283-V328 HydrophobicContact CE2-CG2 4.04Å; F283-D331 HydrophobicContact CE2-CB 4.47Å; F283-D331 HydrophobicContact CZ-CB 3.99Å |
| 284 | T | 91.3 | Very high | 88.2 | Confident | 65 Ų | 65 | 55.2 Ų | 55.2 | 40% | 0.399 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 179.6 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | M280 F281 N288 | M280-T284 WeakPolarHBondContact O-CB 3.48Å; M280-T284 PolarHBondContact O-N 3.45Å; M280-T284 PolarHBondContact O-OG1 3.4Å; F281-T284 PolarHBondContact O-N 3.49Å; T284-N288 VanDerWaalsContact CG2-ND2 3.32Å; T284-N288 WeakPolarHBondContact CG2-ND2 3.38Å; T284-N288 WeakPolarHBondContact O-CB 3.47Å; T284-N288 PolarHBondContact O-N 2.78Å; T284-N288 PolarHBondContact O-ND2 3.16Å |
| 285 | A | 90.3 | Very high | 88.5 | Confident | 7 Ų | 7 | 47 Ų | 47 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.8 | -48.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L250 F267 F281 L282 F283 N288 R289 | L250-A285 HydrophobicContact CD2-CB 4.29Å; F267-A285 HydrophobicContact CE2-CB 4.37Å; F281-A285 HydrophobicContact CE1-CB 4.34Å; F281-A285 HydrophobicContact CZ-CB 4.35Å; F281-A285 WeakPolarHBondContact O-CB 3.43Å; F281-A285 PolarHBondContact O-N 3.34Å; L282-A285 PolarHBondContact O-N 3.26Å; F283-A285 VanDerWaalsContact C-N 3.31Å; F283-A285 PolarHBondContact O-N 2.96Å; A285-N288 PolarHBondContact O-N 3.16Å; A285-R289 WeakPolarHBondContact O-CB 3.36Å; A285-R289 PolarHBondContact O-N 3.43Å |
| 286 | T | 90.6 | Very high | 88.1 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.4 | -50 | 178.4 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | V264 F267 L282 F283 R289 L290 F310 V328 | V264-T286 HydrophobicContact CG2-CG2 4.3Å; F267-T286 WeakPolarHBondContact CD2-OG1 3.46Å; L282-T286 WeakPolarHBondContact O-CB 3.36Å; L282-T286 PolarHBondContact O-N 3.15Å; L282-T286 PolarHBondContact O-OG1 3.1Å; F283-T286 PolarHBondContact O-N 2.81Å; T286-R289 PolarHBondContact O-N 2.87Å; T286-L290 HydrophobicContact CG2-CD1 3.97Å; T286-L290 WeakPolarHBondContact O-CB 3.44Å; T286-L290 WeakPolarHBondContact O-CG 3.33Å; T286-L290 PolarHBondContact O-N 3.4Å; T286-F310 HydrophobicContact CG2-CZ 4.06Å; T286-V328 HydrophobicContact CG2-CG1 4.31Å |
| 287 | V | 90.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 179.4 | 166.2 | 0 | 0 | 0 | 0 | 111.3 | F283 R289 L290 R291 D331 | F283-V287 HydrophobicContact CD2-CG2 4.26Å; F283-V287 HydrophobicContact CE1-CG2 4.41Å; F283-V287 HydrophobicContact CE2-CG2 3.84Å; F283-V287 HydrophobicContact CZ-CG2 3.94Å; F283-V287 WeakPolarHBondContact O-CB 3.16Å; F283-V287 WeakPolarHBondContact O-CG2 3.17Å; F283-V287 PolarHBondContact O-N 3.15Å; V287-R289 VanDerWaalsContact C-N 3.29Å; V287-R289 PolarHBondContact O-N 2.91Å; V287-L290 PolarHBondContact O-N 3.5Å; V287-R291 WeakPolarHBondContact O-CB 3.38Å; V287-R291 PolarHBondContact O-N 3.25Å; V287-D331 WeakPolarHBondContact CG1-OD2 3.43Å; V287-D331 HydrophobicContact CG2-CB 4.28Å |
| 288 | N | 91 | Very high | 87.3 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.1 | -34.8 | -179.1 | -77 | -27.6 | 0 | 0 | 0 | 111.8 | T284 A285 K292 | T284-N288 VanDerWaalsContact CG2-ND2 3.32Å; T284-N288 WeakPolarHBondContact CG2-ND2 3.38Å; T284-N288 WeakPolarHBondContact O-CB 3.47Å; T284-N288 PolarHBondContact O-N 2.78Å; T284-N288 PolarHBondContact O-ND2 3.16Å; A285-N288 PolarHBondContact O-N 3.16Å; N288-K292 WeakPolarHBondContact O-CG 3.14Å; N288-K292 PolarHBondContact O-N 2.91Å |
| 289 | R | 89.4 | Confident | 86.9 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 15% | 0.147 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.8 | -47.6 | 177.2 | -171.6 | 57.2 | 179 | 170.9 | 6.3 | 111.1 | L250 N253 T254 L260 A285 T286 V287 R291 K292 T293 | L250-R289 HydrophobicContact CD1-CB 4.32Å; L250-R289 HydrophobicContact CD1-CG 4.3Å; N253-R289 PolarHBondContact O-NH2 2.79Å; N253-R289 PolarHBondContact OD1-NE 3.32Å; N253-R289 PolarHBondContact OD1-NH2 3.32Å; T254-R289 PolarHBondContact OG1-NH1 3.4Å; L260-R289 HydrophobicContact CD1-CB 4.48Å; L260-R289 HydrophobicContact CD1-CG 3.68Å; A285-R289 WeakPolarHBondContact O-CB 3.36Å; A285-R289 PolarHBondContact O-N 3.43Å; T286-R289 PolarHBondContact O-N 2.87Å; V287-R289 VanDerWaalsContact C-N 3.29Å; V287-R289 PolarHBondContact O-N 2.91Å; R289-R291 VanDerWaalsContact C-N 3.3Å; R289-R291 PolarHBondContact O-N 2.95Å; R289-K292 PolarHBondContact O-N 3.06Å; R289-K292 VanDerWaalsContact O-N 3.11Å; R289-T293 PolarHBondContact O-N 3.06Å; R289-T293 PolarHBondContact O-OG1 2.79Å |
| 290 | L | 88.3 | Confident | 86.7 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 175.2 | -72.9 | 169.1 | 0 | 0 | 0 | 112.4 | L260 T286 V287 T293 N294 L306 F310 V328 L332 W338 | L260-L290 HydrophobicContact CD2-CD2 3.64Å; L260-L290 HydrophobicContact CD2-CG 4.41Å; T286-L290 HydrophobicContact CG2-CD1 3.97Å; T286-L290 WeakPolarHBondContact O-CB 3.44Å; T286-L290 WeakPolarHBondContact O-CG 3.33Å; T286-L290 PolarHBondContact O-N 3.4Å; V287-L290 PolarHBondContact O-N 3.5Å; L290-T293 PolarHBondContact O-N 2.65Å; L290-N294 WeakPolarHBondContact O-CB 3.38Å; L290-N294 PolarHBondContact O-N 3.36Å; L290-L306 HydrophobicContact CD2-CD1 3.61Å; L290-F310 HydrophobicContact CD1-CE2 4.49Å; L290-V328 HydrophobicContact CD1-CG1 4.45Å; L290-L332 HydrophobicContact CB-CD2 3.98Å; L290-L332 HydrophobicContact CD1-CD1 3.55Å; L290-L332 HydrophobicContact CD1-CD2 4.31Å; L290-W338 HydrophobicContact CD1-CH2 4.09Å; L290-W338 HydrophobicContact CD1-CZ2 4.46Å; L290-W338 HydrophobicContact CD2-CH2 4.41Å; L290-W338 HydrophobicContact CD2-CZ2 4.13Å |
| 291 | R | 88.8 | Confident | 86.7 | Confident | 112 Ų | 112 | 73 Ų | 73 | 42% | 0.423 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 172.8 | -176.2 | -175.9 | 71.4 | -178 | -0.2 | 111.8 | V287 R289 N294 A295 I337 | V287-R291 WeakPolarHBondContact O-CB 3.38Å; V287-R291 PolarHBondContact O-N 3.25Å; R289-R291 VanDerWaalsContact C-N 3.3Å; R289-R291 PolarHBondContact O-N 2.95Å; R291-N294 PolarHBondContact O-N 3.19Å; R291-A295 WeakPolarHBondContact O-CB 3.46Å; R291-A295 PolarHBondContact O-N 3.34Å; R291-I337 HydrophobicContact CB-CD1 4.16Å; R291-I337 HydrophobicContact CG-CD1 4.31Å |
| 292 | K | 87.4 | Confident | 86.5 | Confident | 136 Ų | 136 | 72.4 Ų | 72.4 | 59% | 0.591 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.9 | -41.7 | -179.5 | -75.6 | -179 | 178.7 | -173.5 | 0 | 111.8 | N288 R289 N294 A295 | N288-K292 WeakPolarHBondContact O-CG 3.14Å; N288-K292 PolarHBondContact O-N 2.91Å; R289-K292 PolarHBondContact O-N 3.06Å; R289-K292 VanDerWaalsContact O-N 3.11Å; K292-N294 VanDerWaalsContact C-N 3.34Å; K292-N294 PolarHBondContact O-N 2.97Å; K292-A295 PolarHBondContact O-N 3.25Å |
| 293 | T | 85.7 | Confident | 86.3 | Confident | 41 Ų | 41 | 72.9 Ų | 72.9 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 177 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | R289 L290 L302 | R289-T293 PolarHBondContact O-N 3.06Å; R289-T293 PolarHBondContact O-OG1 2.79Å; L290-T293 PolarHBondContact O-N 2.65Å; T293-L302 HydrophobicContact CG2-CD2 4.16Å |
| 294 | N | 85.7 | Confident | 86.3 | Confident | 17 Ų | 17 | 74.5 Ų | 74.5 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -86.5 | 0.2 | -177.8 | -76.2 | -39.4 | 0 | 0 | 0 | 114.9 | L290 R291 K292 R298 D303 I337 | L290-N294 WeakPolarHBondContact O-CB 3.38Å; L290-N294 PolarHBondContact O-N 3.36Å; R291-N294 PolarHBondContact O-N 3.19Å; K292-N294 VanDerWaalsContact C-N 3.34Å; K292-N294 PolarHBondContact O-N 2.97Å; N294-R298 WeakPolarHBondContact OD1-CA 2.94Å; N294-D303 PolarHBondContact ND2-OD1 3.38Å; N294-D303 VanDerWaalsContact ND2-OD1 3.09Å; N294-D303 PolarHBondContact ND2-OD2 2.84Å; N294-D303 PolarHBondContact OD1-OD2 2.9Å; N294-I337 HydrophobicContact CB-CG2 3.84Å |
| 295 | A | 82.9 | Confident | 86.3 | Confident | 80 Ų | 80 | 74 Ų | 74 | 66% | 0.661 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -71.7 | -38.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R291 K292 | R291-A295 WeakPolarHBondContact O-CB 3.46Å; R291-A295 PolarHBondContact O-N 3.34Å; K292-A295 PolarHBondContact O-N 3.25Å |
| 296 | T | 75 | Confident | 86.3 | Confident | 140 Ų | 140 | 73.7 Ų | 73.7 | 86% | 0.859 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -90.1 | -51.3 | -177.1 | -40 | 0 | 0 | 0 | 0 | 111.8 | ||
| 297 | R | 79.8 | Confident | 86.4 | Confident | 215 Ų | 215 | 74.4 Ų | 74.4 | 81% | 0.811 | 37% | 0.365 | S | S | * | . | trans | -150.7 | 136.6 | 179.6 | -177 | 179.1 | 176.7 | -175.8 | 0.7 | 109.1 | D299 | R297-D299 PolarHBondContact O-N 3.41Š| ||
| 298 | R | 77.7 | Confident | 86.4 | Confident | 148 Ų | 148 | 82 Ų | 82 | 56% | 0.558 | 40% | 0.398 | S | S | * | . | trans | -74.4 | 117.4 | 174.9 | -67.6 | -177.7 | 178.7 | -176.3 | -4.9 | 110.5 | N294 Q300 R336 | N294-R298 WeakPolarHBondContact OD1-CA 2.94Å; R298-Q300 PolarHBondContact O-N 2.84Å; R298-R336 PolarHBondContact NH2-O 3.48Å | ||
| 299 | D | 81.5 | Confident | 86.3 | Confident | 76 Ų | 76 | 81.8 Ų | 81.8 | 41% | 0.406 | 40% | 0.399 | S | S | . | . | trans | -89.5 | 92.6 | 172.8 | -172.7 | -9 | 0 | 0 | 0 | 109.8 | R297 K301 L302 D303 | R297-D299 PolarHBondContact O-N 3.41Å; D299-K301 VanDerWaalsContact C-N 3.27Å; D299-K301 PolarHBondContact O-N 3.06Å; D299-K301 PolarHBondContact OD1-N 2.99Å; D299-L302 HydrophobicContact CB-CB 4.09Å; D299-L302 PolarHBondContact O-N 2.86Å; D299-L302 PolarHBondContact OD1-N 3.48Å; D299-D303 WeakPolarHBondContact O-CB 3.48Å; D299-D303 PolarHBondContact O-N 3.37Å | ||
| 300 | Q | 84.6 | Confident | 86.4 | Confident | 154 Ų | 154 | 80 Ų | 80 | 72% | 0.72 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.2 | -31.8 | -173.9 | -63.9 | -179.9 | 9 | 0 | 0 | 113.3 | R298 S304 | R298-Q300 PolarHBondContact O-N 2.84Å; Q300-S304 VanDerWaalsContact O-CB 3.22Å; Q300-S304 WeakPolarHBondContact O-CB 3.3Å; Q300-S304 PolarHBondContact O-N 3.35Å; Q300-S304 PolarHBondContact O-OG 2.99Å |
| 301 | K | 87.1 | Confident | 86.5 | Confident | 182 Ų | 182 | 82 Ų | 82 | 79% | 0.791 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -71.2 | -48.5 | -178.6 | -70.8 | -175.2 | 179.8 | -178.6 | 0 | 110.3 | D299 S304 S305 | D299-K301 VanDerWaalsContact C-N 3.27Å; D299-K301 PolarHBondContact O-N 3.06Å; D299-K301 PolarHBondContact OD1-N 2.99Å; K301-S304 PolarHBondContact O-N 3.33Å; K301-S305 PolarHBondContact O-N 2.86Å |
| 302 | L | 86.3 | Confident | 86.6 | Confident | 32 Ų | 32 | 83.9 Ų | 83.9 | 17% | 0.168 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 176.2 | -177.6 | 68.5 | 0 | 0 | 0 | 111 | L260 T293 D299 S304 S305 L306 | L260-L302 HydrophobicContact CB-CD1 4.25Å; L260-L302 HydrophobicContact CB-CD2 4.24Å; L260-L302 HydrophobicContact CD2-CD2 3.99Å; T293-L302 HydrophobicContact CG2-CD2 4.16Å; D299-L302 HydrophobicContact CB-CB 4.09Å; D299-L302 PolarHBondContact O-N 2.86Å; D299-L302 PolarHBondContact OD1-N 3.48Å; L302-S304 VanDerWaalsContact C-N 3.32Å; L302-S304 PolarHBondContact O-N 3.44Å; L302-S305 PolarHBondContact O-N 3.37Å; L302-L306 HydrophobicContact CD1-CD1 4.27Å; L302-L306 HydrophobicContact CD1-CG 4.49Å; L302-L306 HydrophobicContact CG-CD1 4Å; L302-L306 WeakPolarHBondContact O-CG 3.5Å; L302-L306 PolarHBondContact O-N 3.29Å |
| 303 | D | 88.6 | Confident | 86.6 | Confident | 11 Ų | 11 | 79 Ų | 79 | 6% | 0.059 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 178.7 | -80.7 | -11.3 | 0 | 0 | 0 | 111.5 | N294 D299 S305 L306 Q307 W338 | N294-D303 PolarHBondContact ND2-OD1 3.38Å; N294-D303 VanDerWaalsContact ND2-OD1 3.09Å; N294-D303 PolarHBondContact ND2-OD2 2.84Å; N294-D303 PolarHBondContact OD1-OD2 2.9Å; D299-D303 WeakPolarHBondContact O-CB 3.48Å; D299-D303 PolarHBondContact O-N 3.37Å; D303-S305 PolarHBondContact O-N 3.01Å; D303-L306 PolarHBondContact O-N 3.42Å; D303-Q307 VanDerWaalsContact O-CB 3.29Å; D303-Q307 WeakPolarHBondContact O-CB 3.43Å; D303-Q307 WeakPolarHBondContact O-CG 3.22Å; D303-Q307 PolarHBondContact O-N 3.37Å; D303-W338 HydrophobicContact CB-CZ2 4.29Å; D303-W338 PolarHBondContact OD1-NE1 3.07Å; D303-W338 PolarHBondContact OD2-NE1 3.41Å; D303-W338 VanDerWaalsContact OD2-NE1 3.13Å |
| 304 | S | 89.9 | Confident | 86.6 | Confident | 56 Ų | 56 | 77.5 Ų | 77.5 | 39% | 0.392 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 177.5 | -64 | 0 | 0 | 0 | 0 | 112.4 | Q300 K301 L302 K308 | Q300-S304 VanDerWaalsContact O-CB 3.22Å; Q300-S304 WeakPolarHBondContact O-CB 3.3Å; Q300-S304 PolarHBondContact O-N 3.35Å; Q300-S304 PolarHBondContact O-OG 2.99Å; K301-S304 PolarHBondContact O-N 3.33Å; L302-S304 VanDerWaalsContact C-N 3.32Å; L302-S304 PolarHBondContact O-N 3.44Å; S304-K308 VanDerWaalsContact O-CG 3.3Å; S304-K308 WeakPolarHBondContact O-CG 3.4Å; S304-K308 PolarHBondContact O-N 3.17Å; S304-K308 VanDerWaalsContact O-N 3.13Å |
| 305 | S | 90.9 | Very high | 86.4 | Confident | 55 Ų | 55 | 84.7 Ų | 84.7 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.4 | -49 | 175.8 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | K301 L302 D303 Q307 K308 T309 | K301-S305 PolarHBondContact O-N 2.86Å; L302-S305 PolarHBondContact O-N 3.37Å; D303-S305 PolarHBondContact O-N 3.01Å; S305-Q307 PolarHBondContact O-N 3.26Å; S305-K308 WeakPolarHBondContact O-CB 3.04Å; S305-K308 PolarHBondContact O-N 2.86Å; S305-T309 WeakPolarHBondContact O-CG2 3.32Å; S305-T309 PolarHBondContact O-N 2.88Å |
| 306 | L | 91.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 84 Ų | 84 | 1% | 0.005 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 179.7 | -68.5 | 174.5 | 0 | 0 | 0 | 112.4 | L260 V264 L290 L302 D303 K308 T309 F310 W338 | L260-L306 HydrophobicContact CD2-CD1 3.93Å; L260-L306 HydrophobicContact CG-CD1 4.19Å; V264-L306 HydrophobicContact CB-CD2 4.09Å; V264-L306 HydrophobicContact CG1-CD2 4.25Å; V264-L306 HydrophobicContact CG2-CD2 4.03Å; L290-L306 HydrophobicContact CD2-CD1 3.61Å; L302-L306 HydrophobicContact CD1-CD1 4.27Å; L302-L306 HydrophobicContact CD1-CG 4.49Å; L302-L306 HydrophobicContact CG-CD1 4Å; L302-L306 WeakPolarHBondContact O-CG 3.5Å; L302-L306 PolarHBondContact O-N 3.29Å; D303-L306 PolarHBondContact O-N 3.42Å; L306-K308 VanDerWaalsContact C-N 3.31Å; L306-K308 PolarHBondContact O-N 2.9Å; L306-T309 WeakPolarHBondContact CA-OG1 3.21Å; L306-T309 PolarHBondContact O-N 3.11Å; L306-T309 PolarHBondContact O-OG1 2.98Å; L306-F310 HydrophobicContact CB-CD2 4.46Å; L306-F310 HydrophobicContact CB-CE2 4.29Å; L306-F310 WeakPolarHBondContact O-CD2 3.32Å; L306-F310 PolarHBondContact O-N 3.33Å; L306-W338 HydrophobicContact CB-CH2 3.89Å; L306-W338 HydrophobicContact CB-CZ2 4.3Å |
| 307 | Q | 91 | Very high | 86.1 | Confident | 17 Ų | 17 | 83.1 Ų | 83.1 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.2 | -45.4 | 173.5 | -74.6 | 169.6 | 23.6 | 0 | 0 | 111.3 | D303 S305 T309 F310 L311 W338 I343 | D303-Q307 VanDerWaalsContact O-CB 3.29Å; D303-Q307 WeakPolarHBondContact O-CB 3.43Å; D303-Q307 WeakPolarHBondContact O-CG 3.22Å; D303-Q307 PolarHBondContact O-N 3.37Å; S305-Q307 PolarHBondContact O-N 3.26Å; Q307-T309 PolarHBondContact O-N 2.89Å; Q307-F310 PolarHBondContact O-N 3.11Å; Q307-L311 VanDerWaalsContact O-CB 3.3Å; Q307-L311 WeakPolarHBondContact O-CB 3.27Å; Q307-L311 WeakPolarHBondContact O-CG 3.31Å; Q307-L311 PolarHBondContact O-N 3.49Å; Q307-W338 HydrophobicContact CG-CD2 4.08Å; Q307-W338 HydrophobicContact CG-CE3 3.94Å; Q307-W338 HydrophobicContact CG-CH2 4.16Å; Q307-W338 HydrophobicContact CG-CZ2 4.27Å; Q307-W338 HydrophobicContact CG-CZ3 3.98Å; Q307-I343 HydrophobicContact CG-CD1 3.89Å; Q307-I343 HydrophobicContact CG-CG1 4.44Å |
| 308 | K | 91.2 | Very high | 86.3 | Confident | 159 Ų | 159 | 75.2 Ų | 75.2 | 69% | 0.691 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.9 | -45.4 | 175 | -71.6 | 173.3 | -176.5 | -176.6 | 0 | 111.7 | S304 S305 L306 L311 W312 | S304-K308 VanDerWaalsContact O-CG 3.3Å; S304-K308 WeakPolarHBondContact O-CG 3.4Å; S304-K308 PolarHBondContact O-N 3.17Å; S304-K308 VanDerWaalsContact O-N 3.13Å; S305-K308 WeakPolarHBondContact O-CB 3.04Å; S305-K308 PolarHBondContact O-N 2.86Å; L306-K308 VanDerWaalsContact C-N 3.31Å; L306-K308 PolarHBondContact O-N 2.9Å; K308-L311 PolarHBondContact O-N 3.07Å; K308-W312 WeakPolarHBondContact O-CB 3.41Å; K308-W312 PolarHBondContact O-N 2.93Å |
| 309 | T | 89.7 | Confident | 86.7 | Confident | 46 Ų | 46 | 70 Ų | 70 | 28% | 0.282 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.2 | -50.2 | 178.4 | 62.5 | 0 | 0 | 0 | 0 | 111.9 | S305 L306 Q307 L311 W312 H313 | S305-T309 WeakPolarHBondContact O-CG2 3.32Å; S305-T309 PolarHBondContact O-N 2.88Å; L306-T309 WeakPolarHBondContact CA-OG1 3.21Å; L306-T309 PolarHBondContact O-N 3.11Å; L306-T309 PolarHBondContact O-OG1 2.98Å; Q307-T309 PolarHBondContact O-N 2.89Å; T309-L311 VanDerWaalsContact C-N 3.35Å; T309-L311 PolarHBondContact O-N 3.4Å; T309-W312 PolarHBondContact O-N 3.33Å; T309-H313 PolarHBondContact O-CD2 3.43Å; T309-H313 PolarHBondContact O-N 3.18Å |
| 310 | F | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.8 | -36.2 | -179.4 | -71.6 | -59.8 | 0 | 0 | 0 | 112.8 | V264 L268 T286 L290 L306 Q307 L314 F324 V328 L329 W338 | V264-F310 HydrophobicContact CG1-CE1 3.98Å; V264-F310 HydrophobicContact CG1-CE2 4.34Å; V264-F310 HydrophobicContact CG1-CZ 3.59Å; L268-F310 HydrophobicContact CD2-CE1 4.47Å; T286-F310 HydrophobicContact CG2-CZ 4.06Å; L290-F310 HydrophobicContact CD1-CE2 4.49Å; L306-F310 HydrophobicContact CB-CD2 4.46Å; L306-F310 HydrophobicContact CB-CE2 4.29Å; L306-F310 WeakPolarHBondContact O-CD2 3.32Å; L306-F310 PolarHBondContact O-N 3.33Å; Q307-F310 PolarHBondContact O-N 3.11Å; F310-L314 PolarHBondContact O-N 2.92Å; F310-F324 HydrophobicContact CE1-CE1 4.42Å; F310-V328 HydrophobicContact CE1-CB 4.45Å; F310-V328 HydrophobicContact CE1-CG1 4.22Å; F310-V328 HydrophobicContact CE2-CG1 4.14Å; F310-V328 HydrophobicContact CZ-CG1 3.93Å; F310-L329 HydrophobicContact CB-CD1 4.29Å; F310-L329 HydrophobicContact CB-CD2 4.08Å; F310-L329 HydrophobicContact CB-CG 4.19Å; F310-W338 HydrophobicContact CD2-CH2 4.16Å; F310-W338 HydrophobicContact CD2-CZ3 4.01Å; F310-W338 HydrophobicContact CE2-CH2 4.16Å; F310-W338 HydrophobicContact CE2-CZ3 4.31Å |
| 311 | L | 90.2 | Very high | 87 | Confident | 43 Ų | 43 | 62.8 Ų | 62.8 | 23% | 0.225 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.4 | -38.5 | 176.2 | -71.5 | 172.2 | 0 | 0 | 0 | 112.1 | Q307 K308 T309 L314 L329 | Q307-L311 VanDerWaalsContact O-CB 3.3Å; Q307-L311 WeakPolarHBondContact O-CB 3.27Å; Q307-L311 WeakPolarHBondContact O-CG 3.31Å; Q307-L311 PolarHBondContact O-N 3.49Å; K308-L311 PolarHBondContact O-N 3.07Å; T309-L311 VanDerWaalsContact C-N 3.35Å; T309-L311 PolarHBondContact O-N 3.4Å; L311-L314 VanDerWaalsContact O-CB 3.32Å; L311-L314 WeakPolarHBondContact O-CB 3.5Å; L311-L314 PolarHBondContact O-N 2.87Å; L311-L329 HydrophobicContact CD2-CD1 4.14Å |
| 312 | W | 90.2 | Very high | 87.1 | Confident | 153 Ų | 153 | 54.1 Ų | 54.1 | 58% | 0.58 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.8 | -48.8 | 174.8 | -176.9 | 86 | 0 | 0 | 0 | 111.2 | K308 T309 L314 Q315 | K308-W312 WeakPolarHBondContact O-CB 3.41Å; K308-W312 PolarHBondContact O-N 2.93Å; T309-W312 PolarHBondContact O-N 3.33Å; W312-L314 PolarHBondContact O-N 3.31Å; W312-L314 VanDerWaalsContact O-N 3.1Å; W312-Q315 PolarHBondContact O-N 3.22Å; W312-Q315 VanDerWaalsContact O-N 3.1Å |
| 313 | H | 87.1 | Confident | 87.2 | Confident | 32 Ų | 32 | 56 Ų | 56 | 15% | 0.148 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65 | -14.2 | 177.7 | -76 | -61.6 | 0 | 0 | 0 | 114.5 | T309 Q315 E316 I321 A322 | T309-H313 PolarHBondContact O-CD2 3.43Å; T309-H313 PolarHBondContact O-N 3.18Å; H313-Q315 VanDerWaalsContact C-N 3.32Å; H313-E316 IonicContact CE1-OE2 2.75Å; H313-E316 IonicContact CG-OE2 3.4Å; H313-E316 IonicContact ND1-OE2 2.83Å; H313-E316 PolarHBondContact ND1-OE2 3.4Å; H313-I321 HydrophobicContact CB-CG2 3.88Å; H313-A322 WeakPolarHBondContact O-CA 3.38Å |
| 314 | L | 86 | Confident | 87.3 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -75 | -25.7 | 176 | -166.5 | 59.4 | 0 | 0 | 0 | 112.5 | F310 L311 W312 L326 L329 G346 A350 | F310-L314 PolarHBondContact O-N 2.92Å; L311-L314 VanDerWaalsContact O-CB 3.32Å; L311-L314 WeakPolarHBondContact O-CB 3.5Å; L311-L314 PolarHBondContact O-N 2.87Å; W312-L314 PolarHBondContact O-N 3.31Å; W312-L314 VanDerWaalsContact O-N 3.1Å; L314-L326 HydrophobicContact CD1-CB 3.8Å; L314-L326 HydrophobicContact CD1-CD1 4.33Å; L314-L329 HydrophobicContact CD2-CD1 4.44Å; L314-G346 WeakPolarHBondContact CD2-O 3.23Å; L314-A350 HydrophobicContact CD1-CB 3.9Å; L314-A350 HydrophobicContact CD2-CB 3.98Å; L314-A350 HydrophobicContact CG-CB 4.07Å |
| 315 | Q | 82.3 | Confident | 87.4 | Confident | 167 Ų | 167 | 53.5 Ų | 53.5 | 78% | 0.78 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -88.6 | -17.3 | 177.6 | -63.2 | 179.4 | -22.9 | 0 | 0 | 112.5 | W312 H313 | W312-Q315 PolarHBondContact O-N 3.22Å; W312-Q315 VanDerWaalsContact O-N 3.1Å; H313-Q315 VanDerWaalsContact C-N 3.32Å |
| 316 | E | 77.5 | Confident | 87.4 | Confident | 65 Ų | 65 | 50.9 Ų | 50.9 | 30% | 0.304 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -65.4 | 149.2 | -177 | -161.3 | 175.6 | -176.2 | 0 | 0 | 112.2 | H313 N318 | H313-E316 IonicContact CE1-OE2 2.75Å; H313-E316 IonicContact CG-OE2 3.4Å; H313-E316 IonicContact ND1-OE2 2.83Å; H313-E316 PolarHBondContact ND1-OE2 3.4Å; E316-N318 PolarHBondContact O-N 3.04Å |
| 317 | S | 73.6 | Confident | 87.4 | Confident | 122 Ų | 122 | 51.7 Ų | 51.7 | 85% | 0.853 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -65.2 | -21.8 | -176.1 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | A319 | S317-A319 PolarHBondContact O-N 3.34Å; S317-A319 VanDerWaalsContact O-N 3.11Å |
| 318 | N | 84.9 | Confident | 87.4 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | trans | -75.4 | 104.7 | -177.7 | -169.3 | -23.9 | 0 | 0 | 0 | 111.9 | E316 L320 I321 A322 | E316-N318 PolarHBondContact O-N 3.04Å; N318-L320 PolarHBondContact O-N 2.94Å; N318-L320 VanDerWaalsContact O-N 3.11Å; N318-L320 PolarHBondContact OD1-N 2.97Å; N318-I321 HydrophobicContact CB-CB 4.31Å; N318-I321 HydrophobicContact CB-CD1 4.07Å; N318-I321 HydrophobicContact CB-CG1 4.18Å; N318-I321 PolarHBondContact O-N 3.24Å; N318-A322 PolarHBondContact O-N 3.49Å | ||
| 319 | A | 85.1 | Confident | 87.4 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 33% | 0.331 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.3 | -29 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S317 R323 V355 I358 | S317-A319 PolarHBondContact O-N 3.34Å; S317-A319 VanDerWaalsContact O-N 3.11Å; A319-R323 WeakPolarHBondContact O-CB 3.49Å; A319-R323 PolarHBondContact O-N 3.02Å; A319-R323 VanDerWaalsContact O-N 3.16Å; A319-V355 HydrophobicContact CB-CG1 4.34Å; A319-V355 HydrophobicContact CB-CG2 4.37Å; A319-I358 HydrophobicContact CB-CD1 4.48Å |
| 320 | L | 85.4 | Confident | 87.4 | Confident | 70 Ų | 70 | 41.2 Ų | 41.2 | 37% | 0.366 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -74.3 | -46.4 | 179.9 | -66.8 | 178.5 | 0 | 0 | 0 | 111.6 | N318 R323 F324 | N318-L320 PolarHBondContact O-N 2.94Å; N318-L320 VanDerWaalsContact O-N 3.11Å; N318-L320 PolarHBondContact OD1-N 2.97Å; L320-R323 PolarHBondContact O-N 3.21Å; L320-F324 WeakPolarHBondContact O-CB 3.43Å; L320-F324 PolarHBondContact O-N 3.42Å |
| 321 | I | 87.6 | Confident | 87.3 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.036 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -48.4 | 179.9 | -59.9 | 179 | 0 | 0 | 0 | 109.2 | L268 L271 H313 N318 R323 F324 S325 | L268-I321 HydrophobicContact CD2-CG2 4.03Å; L271-I321 HydrophobicContact CB-CG1 4.44Å; L271-I321 HydrophobicContact CD1-CG1 4.43Å; H313-I321 HydrophobicContact CB-CG2 3.88Å; N318-I321 HydrophobicContact CB-CB 4.31Å; N318-I321 HydrophobicContact CB-CD1 4.07Å; N318-I321 HydrophobicContact CB-CG1 4.18Å; N318-I321 PolarHBondContact O-N 3.24Å; I321-R323 VanDerWaalsContact C-N 3.31Å; I321-R323 PolarHBondContact O-N 3Å; I321-F324 WeakPolarHBondContact O-CB 3.36Å; I321-F324 PolarHBondContact O-N 3.08Å; I321-F324 VanDerWaalsContact O-N 3.09Å; I321-S325 PolarHBondContact O-N 3.26Å; I321-S325 PolarHBondContact O-OG 3.04Å |
| 322 | A | 89.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.7 | -40.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H313 N318 L326 I358 | H313-A322 WeakPolarHBondContact O-CA 3.38Å; N318-A322 PolarHBondContact O-N 3.49Å; A322-L326 VanDerWaalsContact O-CB 3.3Å; A322-L326 WeakPolarHBondContact O-CB 3.21Å; A322-L326 PolarHBondContact O-N 3.22Å; A322-I358 HydrophobicContact CB-CD1 3.64Å |
| 323 | R | 88.5 | Confident | 87.1 | Confident | 73 Ų | 73 | 33.7 Ų | 33.7 | 28% | 0.275 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 174.2 | 180 | 179.6 | 166.9 | 96.2 | -3.5 | 112.1 | A319 L320 I321 L326 L327 I358 T361 | A319-R323 WeakPolarHBondContact O-CB 3.49Å; A319-R323 PolarHBondContact O-N 3.02Å; A319-R323 VanDerWaalsContact O-N 3.16Å; L320-R323 PolarHBondContact O-N 3.21Å; I321-R323 VanDerWaalsContact C-N 3.31Å; I321-R323 PolarHBondContact O-N 3Å; R323-L326 PolarHBondContact O-N 2.87Å; R323-L327 HydrophobicContact CG-CD1 4.18Å; R323-L327 VanDerWaalsContact O-CG 3.31Å; R323-L327 WeakPolarHBondContact O-CG 3.44Å; R323-L327 PolarHBondContact O-N 3.4Å; R323-I358 HydrophobicContact CB-CG1 4.2Å; R323-T361 PolarHBondContact NH1-OG1 3.4Å |
| 324 | F | 90.1 | Very high | 87 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 6% | 0.057 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.5 | -50.1 | 178.1 | 178.6 | -89.9 | 0 | 0 | 0 | 111.2 | L268 L271 L282 F283 F310 L320 I321 L326 L327 V328 | L268-F324 HydrophobicContact CD2-CD1 3.84Å; L268-F324 HydrophobicContact CD2-CE1 4.11Å; L271-F324 HydrophobicContact CD1-CB 3.48Å; L271-F324 VanDerWaalsContact CD1-CB 3.48Å; L271-F324 HydrophobicContact CD1-CD1 3.59Å; L271-F324 HydrophobicContact CD1-CD2 3.88Å; L271-F324 HydrophobicContact CD1-CE1 4.24Å; L271-F324 HydrophobicContact CD1-CE2 4.47Å; L271-F324 HydrophobicContact CD1-CG 3.37Å; L271-F324 HydrophobicContact CD2-CB 4.48Å; L271-F324 HydrophobicContact CD2-CD2 3.63Å; L271-F324 HydrophobicContact CD2-CE2 3.92Å; L271-F324 HydrophobicContact CD2-CG 4.05Å; L271-F324 HydrophobicContact CG-CD2 4.4Å; L271-F324 HydrophobicContact CG-CG 4.35Å; L282-F324 HydrophobicContact CB-CE2 4.2Å; L282-F324 HydrophobicContact CB-CZ 4.44Å; F283-F324 HydrophobicContact CB-CD2 4.4Å; F283-F324 HydrophobicContact CB-CE2 3.78Å; F310-F324 HydrophobicContact CE1-CE1 4.42Å; L320-F324 WeakPolarHBondContact O-CB 3.43Å; L320-F324 PolarHBondContact O-N 3.42Å; I321-F324 WeakPolarHBondContact O-CB 3.36Å; I321-F324 PolarHBondContact O-N 3.08Å; I321-F324 VanDerWaalsContact O-N 3.09Å; F324-L326 VanDerWaalsContact C-N 3.31Å; F324-L326 PolarHBondContact O-N 3.15Å; F324-L327 PolarHBondContact O-N 2.99Å; F324-L327 VanDerWaalsContact O-N 3.13Å; F324-V328 HydrophobicContact CD1-CG2 4.11Å; F324-V328 HydrophobicContact CE1-CG2 3.78Å; F324-V328 HydrophobicContact CZ-CG2 4.06Å; F324-V328 WeakPolarHBondContact O-CG2 3.45Å; F324-V328 PolarHBondContact O-N 2.78Å |
| 325 | S | 91.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.9 | -44.6 | 176.7 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | I321 L327 V328 L329 | I321-S325 PolarHBondContact O-N 3.26Å; I321-S325 PolarHBondContact O-OG 3.04Å; S325-L327 PolarHBondContact O-N 3.36Å; S325-V328 PolarHBondContact O-N 3Å; S325-L329 VanDerWaalsContact O-CG 3.32Å; S325-L329 WeakPolarHBondContact O-CG 3.46Å; S325-L329 PolarHBondContact O-N 3.37Å |
| 326 | L | 92 | Very high | 86.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 175.6 | -179.3 | 60.3 | 0 | 0 | 0 | 112.4 | L314 A322 R323 F324 L329 I330 I347 A350 I358 T361 A362 | L314-L326 HydrophobicContact CD1-CB 3.8Å; L314-L326 HydrophobicContact CD1-CD1 4.33Å; A322-L326 VanDerWaalsContact O-CB 3.3Å; A322-L326 WeakPolarHBondContact O-CB 3.21Å; A322-L326 PolarHBondContact O-N 3.22Å; R323-L326 PolarHBondContact O-N 2.87Å; F324-L326 VanDerWaalsContact C-N 3.31Å; F324-L326 PolarHBondContact O-N 3.15Å; L326-L329 PolarHBondContact O-N 3.46Å; L326-I330 HydrophobicContact CD1-CD1 3.93Å; L326-I330 HydrophobicContact CD1-CG1 4.27Å; L326-I330 HydrophobicContact CG-CD1 3.79Å; L326-I330 WeakPolarHBondContact O-CB 3.41Å; L326-I330 VanDerWaalsContact O-CG1 3.24Å; L326-I330 WeakPolarHBondContact O-CG1 3.49Å; L326-I330 PolarHBondContact O-N 2.98Å; L326-I347 HydrophobicContact CD1-CB 4.43Å; L326-I347 HydrophobicContact CD1-CG1 4.17Å; L326-I347 HydrophobicContact CD1-CG2 4.06Å; L326-A350 HydrophobicContact CD1-CB 3.89Å; L326-A350 HydrophobicContact CD2-CB 4.21Å; L326-I358 HydrophobicContact CD2-CG2 3.69Å; L326-I358 VanDerWaalsContact CD2-O 3.3Å; L326-I358 WeakPolarHBondContact CD2-O 3.42Å; L326-T361 HydrophobicContact CD2-CG2 3.87Å; L326-T361 HydrophobicContact CG-CG2 4.26Å; L326-A362 HydrophobicContact CD1-CB 4.28Å; L326-A362 HydrophobicContact CD2-CB 4.06Å |
| 327 | L | 90.4 | Very high | 87.3 | Confident | 18 Ų | 18 | 37.3 Ų | 37.3 | 9% | 0.094 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 179.2 | -72.8 | 171.6 | 0 | 0 | 0 | 111.9 | F283 R323 F324 S325 I330 D331 T361 V371 | F283-L327 HydrophobicContact CD2-CB 4.24Å; F283-L327 HydrophobicContact CE2-CB 3.79Å; R323-L327 HydrophobicContact CG-CD1 4.18Å; R323-L327 VanDerWaalsContact O-CG 3.31Å; R323-L327 WeakPolarHBondContact O-CG 3.44Å; R323-L327 PolarHBondContact O-N 3.4Å; F324-L327 PolarHBondContact O-N 2.99Å; F324-L327 VanDerWaalsContact O-N 3.13Å; S325-L327 PolarHBondContact O-N 3.36Å; L327-I330 PolarHBondContact O-N 3.03Å; L327-D331 PolarHBondContact O-N 3.44Å; L327-T361 HydrophobicContact CD2-CG2 3.73Å; L327-T361 HydrophobicContact CG-CG2 4.45Å; L327-V371 HydrophobicContact CD2-CG1 4.21Å |
| 328 | V | 91 | Very high | 87.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | F283 T286 L290 F310 F324 S325 I330 D331 L332 | F283-V328 HydrophobicContact CD2-CG2 3.8Å; F283-V328 HydrophobicContact CE2-CG2 4.04Å; T286-V328 HydrophobicContact CG2-CG1 4.31Å; L290-V328 HydrophobicContact CD1-CG1 4.45Å; F310-V328 HydrophobicContact CE1-CB 4.45Å; F310-V328 HydrophobicContact CE1-CG1 4.22Å; F310-V328 HydrophobicContact CE2-CG1 4.14Å; F310-V328 HydrophobicContact CZ-CG1 3.93Å; F324-V328 HydrophobicContact CD1-CG2 4.11Å; F324-V328 HydrophobicContact CE1-CG2 3.78Å; F324-V328 HydrophobicContact CZ-CG2 4.06Å; F324-V328 WeakPolarHBondContact O-CG2 3.45Å; F324-V328 PolarHBondContact O-N 2.78Å; S325-V328 PolarHBondContact O-N 3Å; V328-I330 PolarHBondContact O-N 3.15Å; V328-D331 PolarHBondContact O-N 3.16Å; V328-L332 HydrophobicContact CG1-CD1 3.67Å; V328-L332 HydrophobicContact CG1-CG 4.37Å; V328-L332 WeakPolarHBondContact O-CB 3.38Å; V328-L332 VanDerWaalsContact O-CG 3.25Å; V328-L332 WeakPolarHBondContact O-CG 3.43Å; V328-L332 PolarHBondContact O-N 2.97Å |
| 329 | L | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 177 | -69.2 | 173.5 | 0 | 0 | 0 | 112 | F310 L311 L314 S325 L326 Y333 W338 I343 I347 | F310-L329 HydrophobicContact CB-CD1 4.29Å; F310-L329 HydrophobicContact CB-CD2 4.08Å; F310-L329 HydrophobicContact CB-CG 4.19Å; L311-L329 HydrophobicContact CD2-CD1 4.14Å; L314-L329 HydrophobicContact CD2-CD1 4.44Å; S325-L329 VanDerWaalsContact O-CG 3.32Å; S325-L329 WeakPolarHBondContact O-CG 3.46Å; S325-L329 PolarHBondContact O-N 3.37Å; L326-L329 PolarHBondContact O-N 3.46Å; L329-Y333 VanDerWaalsContact O-CB 3.25Å; L329-Y333 WeakPolarHBondContact O-CB 3Å; L329-Y333 PolarHBondContact O-N 3.49Å; L329-W338 HydrophobicContact CD2-CE3 4.16Å; L329-W338 HydrophobicContact CD2-CZ3 4.12Å; L329-I343 HydrophobicContact CB-CG2 4.33Å; L329-I343 HydrophobicContact CD2-CG2 4.1Å; L329-I347 HydrophobicContact CB-CD1 4.29Å; L329-I347 HydrophobicContact CB-CG1 4.29Å |
| 330 | I | 90.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 177.4 | -74.2 | 167.1 | 0 | 0 | 0 | 111.4 | L326 L327 V328 Y333 R334 I347 T361 F365 | L326-I330 HydrophobicContact CD1-CD1 3.93Å; L326-I330 HydrophobicContact CD1-CG1 4.27Å; L326-I330 HydrophobicContact CG-CD1 3.79Å; L326-I330 WeakPolarHBondContact O-CB 3.41Å; L326-I330 VanDerWaalsContact O-CG1 3.24Å; L326-I330 WeakPolarHBondContact O-CG1 3.49Å; L326-I330 PolarHBondContact O-N 2.98Å; L327-I330 PolarHBondContact O-N 3.03Å; V328-I330 PolarHBondContact O-N 3.15Å; I330-Y333 PolarHBondContact O-N 3.18Å; I330-R334 WeakPolarHBondContact O-CG 3.43Å; I330-R334 PolarHBondContact O-N 2.92Å; I330-I347 HydrophobicContact CG1-CD1 4.23Å; I330-T361 HydrophobicContact CD1-CG2 3.77Å; I330-F365 HydrophobicContact CB-CD2 4.1Å; I330-F365 HydrophobicContact CB-CE2 4.46Å; I330-F365 HydrophobicContact CD1-CB 3.8Å; I330-F365 HydrophobicContact CD1-CG 4.21Å; I330-F365 HydrophobicContact CG1-CB 3.95Å; I330-F365 HydrophobicContact CG1-CD1 4.35Å; I330-F365 HydrophobicContact CG1-CD2 3.85Å; I330-F365 HydrophobicContact CG1-CE2 4.38Å; I330-F365 HydrophobicContact CG1-CG 3.78Å; I330-F365 HydrophobicContact CG2-CB 4.37Å; I330-F365 HydrophobicContact CG2-CD2 3.51Å; I330-F365 HydrophobicContact CG2-CE2 4.1Å; I330-F365 HydrophobicContact CG2-CG 4.2Å |
| 331 | D | 88.4 | Confident | 88.1 | Confident | 25 Ų | 25 | 35.7 Ų | 35.7 | 13% | 0.134 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.1 | -41.8 | -176.6 | -163.4 | 74 | 0 | 0 | 0 | 111.8 | F283 V287 L327 V328 Y333 R334 R335 | F283-D331 HydrophobicContact CE2-CB 4.47Å; F283-D331 HydrophobicContact CZ-CB 3.99Å; V287-D331 WeakPolarHBondContact CG1-OD2 3.43Å; V287-D331 HydrophobicContact CG2-CB 4.28Å; L327-D331 PolarHBondContact O-N 3.44Å; V328-D331 PolarHBondContact O-N 3.16Å; D331-Y333 PolarHBondContact O-N 3.33Å; D331-R334 PolarHBondContact O-N 3.03Å; D331-R335 WeakPolarHBondContact O-CG 3.2Å; D331-R335 PolarHBondContact O-N 3.39Å; D331-R335 IonicContact OD1-NH2 3.77Å; D331-R335 IonicContact OD2-CZ 3.18Å; D331-R335 VanDerWaalsContact OD2-CZ 3.25Å; D331-R335 IonicContact OD2-NE 3.16Å; D331-R335 PolarHBondContact OD2-NE 3.43Å; D331-R335 IonicContact OD2-NH2 3.86Å; D331-R335 PolarHBondContact OD2-NH2 3.36Å |
| 332 | L | 89.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.1 | -35.2 | 176.6 | -66.4 | 171.4 | 0 | 0 | 0 | 112.7 | L290 V328 R336 I337 W338 | L290-L332 HydrophobicContact CB-CD2 3.98Å; L290-L332 HydrophobicContact CD1-CD1 3.55Å; L290-L332 HydrophobicContact CD1-CD2 4.31Å; V328-L332 HydrophobicContact CG1-CD1 3.67Å; V328-L332 HydrophobicContact CG1-CG 4.37Å; V328-L332 WeakPolarHBondContact O-CB 3.38Å; V328-L332 VanDerWaalsContact O-CG 3.25Å; V328-L332 WeakPolarHBondContact O-CG 3.43Å; V328-L332 PolarHBondContact O-N 2.97Å; L332-R336 PolarHBondContact O-N 3.02Å; L332-I337 HydrophobicContact CD2-CD1 4.03Å; L332-I337 PolarHBondContact O-N 2.9Å; L332-W338 HydrophobicContact CB-CB 4.28Å; L332-W338 HydrophobicContact CB-CD2 4.37Å; L332-W338 HydrophobicContact CB-CE3 4.14Å; L332-W338 HydrophobicContact CB-CG 4.48Å; L332-W338 HydrophobicContact CD1-CD2 3.92Å; L332-W338 HydrophobicContact CD1-CE3 3.36Å; L332-W338 HydrophobicContact CD1-CH2 3.87Å; L332-W338 HydrophobicContact CD1-CZ2 4.38Å; L332-W338 HydrophobicContact CD1-CZ3 3.34Å; L332-W338 HydrophobicContact CG-CE3 4.39Å; L332-W338 PolarHBondContact O-N 2.94Å |
| 333 | Y | 88.9 | Confident | 88.3 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 6% | 0.055 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.5 | -45.9 | 174.1 | -173.3 | -81.2 | 0 | 0 | 0 | 111 | L329 I330 D331 R335 R336 W338 R339 I343 A344 F365 A452 M455 | L329-Y333 VanDerWaalsContact O-CB 3.25Å; L329-Y333 WeakPolarHBondContact O-CB 3Å; L329-Y333 PolarHBondContact O-N 3.49Å; I330-Y333 PolarHBondContact O-N 3.18Å; D331-Y333 PolarHBondContact O-N 3.33Å; Y333-R335 VanDerWaalsContact C-N 3.32Å; Y333-R335 PolarHBondContact O-N 3.21Å; Y333-R336 WeakPolarHBondContact O-CA 3.42Å; Y333-R336 PolarHBondContact O-N 2.7Å; Y333-W338 WeakPolarHBondContact CD2-O 3.26Å; Y333-R339 HydrophobicContact CE2-CB 4.48Å; Y333-R339 HydrophobicContact CE2-CG 4Å; Y333-I343 HydrophobicContact CD2-CG2 4.36Å; Y333-A344 HydrophobicContact CE2-CB 4.32Å; Y333-F365 AromaticContact CD1-CE2 3.74Å; Y333-F365 HydrophobicContact CD1-CE2 3.74Å; Y333-F365 AromaticContact CD1-CZ 3.35Å; Y333-F365 HydrophobicContact CD1-CZ 3.35Å; Y333-F365 HydrophobicContact CD2-CZ 4.49Å; Y333-F365 HydrophobicContact CE1-CE2 4.38Å; Y333-F365 AromaticContact CE1-CZ 3.75Å; Y333-F365 HydrophobicContact CE1-CZ 3.75Å; Y333-F365 HydrophobicContact CG-CE2 4.28Å; Y333-F365 AromaticContact CG-CZ 3.75Å; Y333-F365 HydrophobicContact CG-CZ 3.75Å; Y333-A452 HydrophobicContact CE1-CB 4.11Å; Y333-A452 VanDerWaalsContact OH-CA 3.23Å; Y333-A452 WeakPolarHBondContact OH-CA 3.28Å; Y333-A452 WeakPolarHBondContact OH-CB 3.48Å; Y333-A452 PolarHBondContact OH-N 3.43Å; Y333-M455 HydrophobicContact CE2-CE 3.79Å; Y333-M455 WeakPolarHBondContact OH-CE 3.08Å |
| 334 | R | 84.1 | Confident | 88.4 | Confident | 70 Ų | 70 | 38.1 Ų | 38.1 | 26% | 0.264 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 177.1 | -77.6 | -178.7 | 170 | 159.6 | 4.6 | 113.1 | I330 D331 R336 F365 S369 V371 | I330-R334 WeakPolarHBondContact O-CG 3.43Å; I330-R334 PolarHBondContact O-N 2.92Å; D331-R334 PolarHBondContact O-N 3.03Å; R334-R336 PolarHBondContact O-N 3.33Å; R334-F365 HydrophobicContact CG-CE2 4.25Å; R334-S369 PolarHBondContact NH2-O 3.01Å; R334-V371 PolarHBondContact NH1-O 2.98Å; R334-V371 VanDerWaalsContact NH1-O 3.08Å |
| 335 | R | 83.3 | Confident | 88.5 | Confident | 102 Ų | 102 | 38.1 Ų | 38.1 | 39% | 0.385 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -1 | 174.6 | -67.3 | 179.1 | -166 | -123.8 | 1.8 | 113.7 | D331 Y333 I337 | D331-R335 WeakPolarHBondContact O-CG 3.2Å; D331-R335 PolarHBondContact O-N 3.39Å; D331-R335 IonicContact OD1-NH2 3.77Å; D331-R335 IonicContact OD2-CZ 3.18Å; D331-R335 VanDerWaalsContact OD2-CZ 3.25Å; D331-R335 IonicContact OD2-NE 3.16Å; D331-R335 PolarHBondContact OD2-NE 3.43Å; D331-R335 IonicContact OD2-NH2 3.86Å; D331-R335 PolarHBondContact OD2-NH2 3.36Å; Y333-R335 VanDerWaalsContact C-N 3.32Å; Y333-R335 PolarHBondContact O-N 3.21Å; R335-I337 HydrophobicContact CB-CD1 3.99Å; R335-I337 HydrophobicContact CB-CG1 4Å; R335-I337 PolarHBondContact O-N 2.92Å |
| 336 | R | 82.8 | Confident | 88.5 | Confident | 155 Ų | 155 | 38.6 Ų | 38.6 | 59% | 0.585 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 22.5 | -178.2 | -53.1 | -179.1 | 177.4 | -170.8 | -2 | 114.2 | R298 L332 Y333 R334 | R298-R336 PolarHBondContact NH2-O 3.48Å; L332-R336 PolarHBondContact O-N 3.02Å; Y333-R336 WeakPolarHBondContact O-CA 3.42Å; Y333-R336 PolarHBondContact O-N 2.7Å; R334-R336 PolarHBondContact O-N 3.33Å |
| 337 | I | 84.9 | Confident | 88.4 | Confident | 23 Ų | 23 | 38.6 Ų | 38.6 | 12% | 0.118 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -77.5 | -50.2 | 174.9 | -58.4 | 171.1 | 0 | 0 | 0 | 108.4 | R291 N294 L332 R335 | R291-I337 HydrophobicContact CB-CD1 4.16Å; R291-I337 HydrophobicContact CG-CD1 4.31Å; N294-I337 HydrophobicContact CB-CG2 3.84Å; L332-I337 HydrophobicContact CD2-CD1 4.03Å; L332-I337 PolarHBondContact O-N 2.9Å; R335-I337 HydrophobicContact CB-CD1 3.99Å; R335-I337 HydrophobicContact CB-CG1 4Å; R335-I337 PolarHBondContact O-N 2.92Å |
| 338 | W | 86.7 | Confident | 88.5 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -117 | 62.5 | -176.9 | -75.8 | -3.2 | 0 | 0 | 0 | 111.4 | L290 D303 L306 Q307 F310 L329 L332 Y333 N340 I343 | L290-W338 HydrophobicContact CD1-CH2 4.09Å; L290-W338 HydrophobicContact CD1-CZ2 4.46Å; L290-W338 HydrophobicContact CD2-CH2 4.41Å; L290-W338 HydrophobicContact CD2-CZ2 4.13Å; D303-W338 HydrophobicContact CB-CZ2 4.29Å; D303-W338 PolarHBondContact OD1-NE1 3.07Å; D303-W338 PolarHBondContact OD2-NE1 3.41Å; D303-W338 VanDerWaalsContact OD2-NE1 3.13Å; L306-W338 HydrophobicContact CB-CH2 3.89Å; L306-W338 HydrophobicContact CB-CZ2 4.3Å; Q307-W338 HydrophobicContact CG-CD2 4.08Å; Q307-W338 HydrophobicContact CG-CE3 3.94Å; Q307-W338 HydrophobicContact CG-CH2 4.16Å; Q307-W338 HydrophobicContact CG-CZ2 4.27Å; Q307-W338 HydrophobicContact CG-CZ3 3.98Å; F310-W338 HydrophobicContact CD2-CH2 4.16Å; F310-W338 HydrophobicContact CD2-CZ3 4.01Å; F310-W338 HydrophobicContact CE2-CH2 4.16Å; F310-W338 HydrophobicContact CE2-CZ3 4.31Å; L329-W338 HydrophobicContact CD2-CE3 4.16Å; L329-W338 HydrophobicContact CD2-CZ3 4.12Å; L332-W338 HydrophobicContact CB-CB 4.28Å; L332-W338 HydrophobicContact CB-CD2 4.37Å; L332-W338 HydrophobicContact CB-CE3 4.14Å; L332-W338 HydrophobicContact CB-CG 4.48Å; L332-W338 HydrophobicContact CD1-CD2 3.92Å; L332-W338 HydrophobicContact CD1-CE3 3.36Å; L332-W338 HydrophobicContact CD1-CH2 3.87Å; L332-W338 HydrophobicContact CD1-CZ2 4.38Å; L332-W338 HydrophobicContact CD1-CZ3 3.34Å; L332-W338 HydrophobicContact CG-CE3 4.39Å; L332-W338 PolarHBondContact O-N 2.94Å; Y333-W338 WeakPolarHBondContact CD2-O 3.26Å; W338-N340 PolarHBondContact O-N 3.41Å; W338-I343 HydrophobicContact CB-CD1 3.53Å; W338-I343 HydrophobicContact CD2-CD1 4.23Å; W338-I343 HydrophobicContact CE3-CD1 4.05Å; W338-I343 HydrophobicContact CG-CD1 4.06Å |
| 339 | R | 84.4 | Confident | 88.5 | Confident | 117 Ų | 117 | 42.7 Ų | 42.7 | 44% | 0.442 | 19% | 0.187 | S | C | . | . | trans | -90.5 | 77.8 | 174.3 | -172.4 | -179.2 | 178.3 | -169.3 | -3.2 | 109.4 | Y333 S451 M455 | Y333-R339 HydrophobicContact CE2-CB 4.48Å; Y333-R339 HydrophobicContact CE2-CG 4Å; R339-S451 PolarHBondContact NE-OG 2.99Å; R339-S451 PolarHBondContact NH2-OG 2.85Å; R339-M455 HydrophobicContact CG-CE 4.11Å | ||
| 340 | N | 86.1 | Confident | 88.5 | Confident | 60 Ų | 60 | 42.9 Ų | 42.9 | 32% | 0.321 | 19% | 0.189 | S | C | . | . | trans | -119.5 | 151.1 | -179.5 | -62.3 | -7.4 | 0 | 0 | 0 | 110.3 | W338 I343 A344 | W338-N340 PolarHBondContact O-N 3.41Å; N340-I343 HydrophobicContact CB-CD1 4.21Å; N340-I343 HydrophobicContact CB-CG1 4.37Å; N340-I343 PolarHBondContact O-N 2.96Å; N340-A344 PolarHBondContact O-N 3.11Å | ||
| 341 | D | 90 | Very high | 88.5 | Confident | 68 Ų | 68 | 42.8 Ų | 42.8 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -56.9 | -45.7 | 172 | 60.9 | -22.9 | 0 | 0 | 0 | 112.2 | I343 A344 N345 Y457 | D341-I343 PolarHBondContact O-N 3.33Å; D341-A344 PolarHBondContact O-N 3.04Å; D341-N345 WeakPolarHBondContact O-CB 3.36Å; D341-N345 PolarHBondContact O-N 3.47Å; D341-N345 PolarHBondContact O-ND2 3.38Å; D341-Y457 HydrophobicContact CB-CE1 4.05Å; D341-Y457 PolarHBondContact OD2-OH 3.39Å |
| 342 | K | 90.7 | Very high | 88.6 | Confident | 131 Ų | 131 | 43.5 Ų | 43.5 | 57% | 0.57 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -56.6 | -38.3 | 178.1 | -66.8 | 179.8 | -177.5 | 177.4 | 0 | 112.7 | G346 | K342-G346 PolarHBondContact O-N 3.47Å |
| 343 | I | 90.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -78.6 | -41.7 | -178 | -64.9 | 171.5 | 0 | 0 | 0 | 110.6 | Q307 L329 Y333 W338 N340 D341 N345 G346 I347 | Q307-I343 HydrophobicContact CG-CD1 3.89Å; Q307-I343 HydrophobicContact CG-CG1 4.44Å; L329-I343 HydrophobicContact CB-CG2 4.33Å; L329-I343 HydrophobicContact CD2-CG2 4.1Å; Y333-I343 HydrophobicContact CD2-CG2 4.36Å; W338-I343 HydrophobicContact CB-CD1 3.53Å; W338-I343 HydrophobicContact CD2-CD1 4.23Å; W338-I343 HydrophobicContact CE3-CD1 4.05Å; W338-I343 HydrophobicContact CG-CD1 4.06Å; N340-I343 HydrophobicContact CB-CD1 4.21Å; N340-I343 HydrophobicContact CB-CG1 4.37Å; N340-I343 PolarHBondContact O-N 2.96Å; D341-I343 PolarHBondContact O-N 3.33Å; I343-N345 PolarHBondContact O-N 2.87Å; I343-G346 PolarHBondContact O-N 3.34Å; I343-I347 HydrophobicContact CG2-CD1 3.96Å; I343-I347 HydrophobicContact CG2-CG1 4.48Å; I343-I347 VanDerWaalsContact O-CG1 3.31Å; I343-I347 WeakPolarHBondContact O-CG1 3.34Å; I343-I347 PolarHBondContact O-N 2.89Å |
| 344 | A | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.3 | -43.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y333 N340 D341 I347 A348 M455 | Y333-A344 HydrophobicContact CE2-CB 4.32Å; N340-A344 PolarHBondContact O-N 3.11Å; D341-A344 PolarHBondContact O-N 3.04Å; A344-I347 PolarHBondContact O-N 3.03Å; A344-A348 WeakPolarHBondContact O-CB 3.48Å; A344-A348 PolarHBondContact O-N 2.79Å; A344-M455 HydrophobicContact CB-CB 4.08Å; A344-M455 HydrophobicContact CB-CE 4.17Å |
| 345 | N | 92.3 | Very high | 88.6 | Confident | 13 Ų | 13 | 48.7 Ų | 48.7 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.1 | -40.6 | 175.6 | -76 | -63.1 | 0 | 0 | 0 | 113.5 | D341 I343 I347 A348 Q349 M455 V456 Y457 | D341-N345 WeakPolarHBondContact O-CB 3.36Å; D341-N345 PolarHBondContact O-N 3.47Å; D341-N345 PolarHBondContact O-ND2 3.38Å; I343-N345 PolarHBondContact O-N 2.87Å; N345-I347 VanDerWaalsContact C-N 3.31Å; N345-I347 PolarHBondContact O-N 3.31Å; N345-A348 PolarHBondContact O-N 3.39Å; N345-Q349 WeakPolarHBondContact O-CG 3.4Å; N345-Q349 PolarHBondContact O-N 2.88Å; N345-M455 PolarHBondContact ND2-O 3.4Å; N345-V456 WeakPolarHBondContact OD1-CA 3.36Å; N345-Y457 HydrophobicContact CB-CD2 3.92Å; N345-Y457 HydrophobicContact CB-CE2 4.03Å; N345-Y457 HydrophobicContact CB-CG 4.49Å; N345-Y457 VanDerWaalsContact CG-CG 3.47Å; N345-Y457 VanDerWaalsContact ND2-CD1 3.25Å; N345-Y457 WeakPolarHBondContact ND2-CD1 3.35Å; N345-Y457 VanDerWaalsContact ND2-CD2 3.3Å; N345-Y457 WeakPolarHBondContact ND2-CD2 3.36Å; N345-Y457 VanDerWaalsContact ND2-CE1 3.29Å; N345-Y457 WeakPolarHBondContact ND2-CE1 3.45Å; N345-Y457 VanDerWaalsContact ND2-CE2 3.34Å; N345-Y457 WeakPolarHBondContact ND2-CE2 3.28Å; N345-Y457 VanDerWaalsContact ND2-CG 3.25Å; N345-Y457 VanDerWaalsContact ND2-CZ 3.33Å; N345-Y457 PolarHBondContact OD1-N 3.04Å |
| 346 | G | 90.9 | Very high | 88.8 | Confident | 11 Ų | 11 | 46.2 Ų | 46.2 | 11% | 0.113 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.2 | -45.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L314 K342 I343 Q349 A350 | L314-G346 WeakPolarHBondContact CD2-O 3.23Å; K342-G346 PolarHBondContact O-N 3.47Å; I343-G346 PolarHBondContact O-N 3.34Å; G346-Q349 PolarHBondContact O-N 3.37Å; G346-A350 PolarHBondContact O-N 2.81Å; G346-A350 VanDerWaalsContact O-N 3.14Å |
| 347 | I | 91.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.9 | -39.9 | 176.4 | -62.6 | 166.3 | 0 | 0 | 0 | 111 | L326 L329 I330 I343 A344 N345 A350 A362 F365 | L326-I347 HydrophobicContact CD1-CB 4.43Å; L326-I347 HydrophobicContact CD1-CG1 4.17Å; L326-I347 HydrophobicContact CD1-CG2 4.06Å; L329-I347 HydrophobicContact CB-CD1 4.29Å; L329-I347 HydrophobicContact CB-CG1 4.29Å; I330-I347 HydrophobicContact CG1-CD1 4.23Å; I343-I347 HydrophobicContact CG2-CD1 3.96Å; I343-I347 HydrophobicContact CG2-CG1 4.48Å; I343-I347 VanDerWaalsContact O-CG1 3.31Å; I343-I347 WeakPolarHBondContact O-CG1 3.34Å; I343-I347 PolarHBondContact O-N 2.89Å; A344-I347 PolarHBondContact O-N 3.03Å; N345-I347 VanDerWaalsContact C-N 3.31Å; N345-I347 PolarHBondContact O-N 3.31Å; I347-A350 WeakPolarHBondContact O-CB 3.21Å; I347-A350 PolarHBondContact O-N 3.37Å; I347-A362 HydrophobicContact CG2-CB 4.2Å; I347-A362 WeakPolarHBondContact O-CB 3.47Å; I347-F365 HydrophobicContact CB-CD1 4.45Å; I347-F365 HydrophobicContact CB-CE1 4.31Å; I347-F365 HydrophobicContact CD1-CD1 4.25Å; I347-F365 HydrophobicContact CD1-CE1 3.64Å; I347-F365 HydrophobicContact CD1-CZ 3.85Å; I347-F365 HydrophobicContact CG2-CD1 3.41Å; I347-F365 VanDerWaalsContact CG2-CD1 3.41Å; I347-F365 HydrophobicContact CG2-CE1 3.73Å; I347-F365 HydrophobicContact CG2-CG 4.32Å |
| 348 | A | 91.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A344 N345 A350 S351 V456 F462 | A344-A348 WeakPolarHBondContact O-CB 3.48Å; A344-A348 PolarHBondContact O-N 2.79Å; N345-A348 PolarHBondContact O-N 3.39Å; A348-A350 VanDerWaalsContact C-N 3.26Å; A348-A350 PolarHBondContact O-N 3.39Å; A348-S351 VanDerWaalsContact O-CB 3.28Å; A348-S351 WeakPolarHBondContact O-CB 3.38Å; A348-S351 PolarHBondContact O-N 3.38Å; A348-S351 PolarHBondContact O-OG 2.92Å; A348-V456 HydrophobicContact CB-CG2 4.21Å; A348-F462 HydrophobicContact CB-CE1 4.48Å; A348-F462 HydrophobicContact CB-CE2 3.94Å; A348-F462 HydrophobicContact CB-CZ 3.89Å; A348-F462 VanDerWaalsContact O-CE2 3.31Å; A348-F462 WeakPolarHBondContact O-CE2 3.49Å |
| 349 | Q | 91 | Very high | 89.5 | Confident | 103 Ų | 103 | 46.8 Ų | 46.8 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.1 | -33.4 | 176.2 | -68.3 | -61.8 | -19.4 | 0 | 0 | 112.6 | N345 G346 S351 L352 | N345-Q349 WeakPolarHBondContact O-CG 3.4Å; N345-Q349 PolarHBondContact O-N 2.88Å; G346-Q349 PolarHBondContact O-N 3.37Å; Q349-S351 PolarHBondContact O-N 2.84Å; Q349-S351 VanDerWaalsContact O-N 3.17Å; Q349-L352 WeakPolarHBondContact O-CB 3.26Å; Q349-L352 PolarHBondContact O-N 2.79Å |
| 350 | A | 91.5 | Very high | 89.8 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.033 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -22.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | L314 L326 G346 I347 A348 L352 N353 I358 A359 A362 | L314-A350 HydrophobicContact CD1-CB 3.9Å; L314-A350 HydrophobicContact CD2-CB 3.98Å; L314-A350 HydrophobicContact CG-CB 4.07Å; L326-A350 HydrophobicContact CD1-CB 3.89Å; L326-A350 HydrophobicContact CD2-CB 4.21Å; G346-A350 PolarHBondContact O-N 2.81Å; G346-A350 VanDerWaalsContact O-N 3.14Å; I347-A350 WeakPolarHBondContact O-CB 3.21Å; I347-A350 PolarHBondContact O-N 3.37Å; A348-A350 VanDerWaalsContact C-N 3.26Å; A348-A350 PolarHBondContact O-N 3.39Å; A350-L352 PolarHBondContact O-N 2.85Å; A350-N353 VanDerWaalsContact O-CB 3.25Å; A350-N353 WeakPolarHBondContact O-CB 3.4Å; A350-N353 PolarHBondContact O-N 2.88Å; A350-I358 HydrophobicContact CB-CG2 4.3Å; A350-A359 WeakPolarHBondContact O-CA 3.06Å; A350-A362 HydrophobicContact CB-CB 3.95Å |
| 351 | S | 90.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.5 | -24.8 | 173.6 | 74.7 | 0 | 0 | 0 | 0 | 113 | A348 Q349 A359 F462 K469 Y483 | A348-S351 VanDerWaalsContact O-CB 3.28Å; A348-S351 WeakPolarHBondContact O-CB 3.38Å; A348-S351 PolarHBondContact O-N 3.38Å; A348-S351 PolarHBondContact O-OG 2.92Å; Q349-S351 PolarHBondContact O-N 2.84Å; Q349-S351 VanDerWaalsContact O-N 3.17Å; S351-A359 WeakPolarHBondContact O-CB 3.31Å; S351-F462 WeakPolarHBondContact OG-CE2 3.42Å; S351-F462 WeakPolarHBondContact OG-CZ 3.37Å; S351-K469 PolarHBondContact O-NZ 3.02Å; S351-Y483 PolarHBondContact O-OH 3.35Å |
| 352 | L | 90.5 | Very high | 90 | Very high | 40 Ų | 40 | 36.6 Ų | 36.6 | 21% | 0.209 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -84.8 | -12.5 | 177.9 | -62.1 | 176 | 0 | 0 | 0 | 112.7 | Q349 A350 F462 K465 L466 K469 | Q349-L352 WeakPolarHBondContact O-CB 3.26Å; Q349-L352 PolarHBondContact O-N 2.79Å; A350-L352 PolarHBondContact O-N 2.85Å; L352-F462 HydrophobicContact CD1-CD2 4.4Å; L352-F462 HydrophobicContact CG-CE2 4.43Å; L352-K465 HydrophobicContact CD1-CB 3.96Å; L352-K465 HydrophobicContact CD1-CD 3.97Å; L352-K465 HydrophobicContact CD2-CB 3.85Å; L352-L466 HydrophobicContact CD2-CD2 3.79Å; L352-L466 HydrophobicContact CD2-CG 4.02Å; L352-K469 PolarHBondContact O-NZ 3.39Å |
| 353 | N | 89.1 | Confident | 90 | Very high | 25 Ų | 25 | 30.4 Ų | 30.4 | 13% | 0.134 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -55.1 | 135.6 | 179.8 | -169.9 | -53.6 | 0 | 0 | 0 | 112.5 | A350 V355 I358 K469 | A350-N353 VanDerWaalsContact O-CB 3.25Å; A350-N353 WeakPolarHBondContact O-CB 3.4Å; A350-N353 PolarHBondContact O-N 2.88Å; N353-V355 PolarHBondContact O-N 3.44Å; N353-V355 PolarHBondContact OD1-N 3.06Å; N353-I358 HydrophobicContact CB-CG2 4.25Å; N353-K469 PolarHBondContact O-NZ 3.15Å |
| 354 | P | 86.1 | Confident | 89.9 | Confident | 115 Ų | 115 | 35.2 Ų | 35.2 | 75% | 0.747 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -59.5 | -26.4 | -179.4 | 23.9 | -36 | 0 | 0 | 0 | 113.9 | N356 | P354-N356 PolarHBondContact O-N 3.02Š|
| 355 | V | 87.7 | Confident | 89.8 | Confident | 53 Ų | 53 | 35.8 Ų | 35.8 | 32% | 0.321 | 18% | 0.177 | S | C | . | . | trans | -78.6 | 107.6 | 179.5 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | A319 N353 R357 I358 A359 | A319-V355 HydrophobicContact CB-CG1 4.34Å; A319-V355 HydrophobicContact CB-CG2 4.37Å; N353-V355 PolarHBondContact O-N 3.44Å; N353-V355 PolarHBondContact OD1-N 3.06Å; V355-R357 HydrophobicContact CG1-CB 4.35Å; V355-R357 PolarHBondContact O-N 3.5Å; V355-R357 VanDerWaalsContact O-N 3.08Å; V355-I358 HydrophobicContact CB-CD1 4.04Å; V355-I358 HydrophobicContact CB-CG1 4.23Å; V355-I358 HydrophobicContact CG1-CD1 4.26Å; V355-I358 HydrophobicContact CG1-CG1 4.14Å; V355-I358 PolarHBondContact O-N 3.18Å; V355-A359 PolarHBondContact O-N 3.11Å; V355-A359 VanDerWaalsContact O-N 3.09Å | ||
| 356 | N | 87.5 | Confident | 89.6 | Confident | 49 Ų | 49 | 35.2 Ų | 35.2 | 26% | 0.262 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -51 | -37.6 | -178.7 | -73.6 | -11.3 | 0 | 0 | 0 | 114 | P354 I358 A359 I360 D475 | P354-N356 PolarHBondContact O-N 3.02Å; N356-I358 VanDerWaalsContact C-N 3.32Å; N356-I358 PolarHBondContact O-N 3.29Å; N356-A359 PolarHBondContact O-N 3.29Å; N356-I360 HydrophobicContact CB-CD1 4.24Å; N356-I360 VanDerWaalsContact O-CB 3.23Å; N356-I360 WeakPolarHBondContact O-CB 3.26Å; N356-I360 VanDerWaalsContact O-CD1 3.28Å; N356-I360 WeakPolarHBondContact O-CD1 3.34Å; N356-I360 WeakPolarHBondContact O-CG1 3.31Å; N356-I360 PolarHBondContact O-N 3.41Å; N356-D475 PolarHBondContact ND2-OD1 3.09Å |
| 357 | R | 87.7 | Confident | 89.3 | Confident | 191 Ų | 191 | 35.4 Ų | 35.4 | 72% | 0.721 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -62.3 | -37.6 | 179.1 | -69.4 | -176.2 | 176.6 | -177.8 | -0.9 | 112.9 | V355 T361 | V355-R357 HydrophobicContact CG1-CB 4.35Å; V355-R357 PolarHBondContact O-N 3.5Å; V355-R357 VanDerWaalsContact O-N 3.08Å; R357-T361 PolarHBondContact O-N 3.4Å; R357-T361 PolarHBondContact O-OG1 3.37Å |
| 358 | I | 89.7 | Confident | 88.5 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -74.4 | -49.4 | 178.3 | -61 | 176.5 | 0 | 0 | 0 | 108.5 | A319 A322 R323 L326 A350 N353 V355 N356 I360 T361 A362 | A319-I358 HydrophobicContact CB-CD1 4.48Å; A322-I358 HydrophobicContact CB-CD1 3.64Å; R323-I358 HydrophobicContact CB-CG1 4.2Å; L326-I358 HydrophobicContact CD2-CG2 3.69Å; L326-I358 VanDerWaalsContact CD2-O 3.3Å; L326-I358 WeakPolarHBondContact CD2-O 3.42Å; A350-I358 HydrophobicContact CB-CG2 4.3Å; N353-I358 HydrophobicContact CB-CG2 4.25Å; V355-I358 HydrophobicContact CB-CD1 4.04Å; V355-I358 HydrophobicContact CB-CG1 4.23Å; V355-I358 HydrophobicContact CG1-CD1 4.26Å; V355-I358 HydrophobicContact CG1-CG1 4.14Å; V355-I358 PolarHBondContact O-N 3.18Å; N356-I358 VanDerWaalsContact C-N 3.32Å; N356-I358 PolarHBondContact O-N 3.29Å; I358-I360 PolarHBondContact O-N 2.87Å; I358-T361 WeakPolarHBondContact O-CB 3.25Å; I358-T361 PolarHBondContact O-N 3.16Å; I358-T361 VanDerWaalsContact O-N 3.08Å; I358-A362 PolarHBondContact O-N 3.22Å |
| 359 | A | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.2 | -47.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A350 S351 V355 N356 T361 A362 V363 Y483 | A350-A359 WeakPolarHBondContact O-CA 3.06Å; S351-A359 WeakPolarHBondContact O-CB 3.31Å; V355-A359 PolarHBondContact O-N 3.11Å; V355-A359 VanDerWaalsContact O-N 3.09Å; N356-A359 PolarHBondContact O-N 3.29Å; A359-T361 VanDerWaalsContact C-N 3.29Å; A359-T361 PolarHBondContact O-N 2.83Å; A359-A362 PolarHBondContact O-N 3.24Å; A359-V363 WeakPolarHBondContact O-CB 3.48Å; A359-V363 VanDerWaalsContact O-CG2 3.23Å; A359-V363 WeakPolarHBondContact O-CG2 3.39Å; A359-V363 PolarHBondContact O-N 3.19Å; A359-Y483 VanDerWaalsContact CB-OH 3.26Å; A359-Y483 WeakPolarHBondContact CB-OH 3.47Å |
| 360 | I | 90.7 | Very high | 85.7 | Confident | 25 Ų | 25 | 38.5 Ų | 38.5 | 13% | 0.128 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -37.9 | 176.9 | -68.6 | 162.9 | 0 | 0 | 0 | 111.3 | N356 I358 A362 V363 R364 I479 L482 | N356-I360 HydrophobicContact CB-CD1 4.24Å; N356-I360 VanDerWaalsContact O-CB 3.23Å; N356-I360 WeakPolarHBondContact O-CB 3.26Å; N356-I360 VanDerWaalsContact O-CD1 3.28Å; N356-I360 WeakPolarHBondContact O-CD1 3.34Å; N356-I360 WeakPolarHBondContact O-CG1 3.31Å; N356-I360 PolarHBondContact O-N 3.41Å; I358-I360 PolarHBondContact O-N 2.87Å; I360-A362 VanDerWaalsContact C-N 3.34Å; I360-V363 PolarHBondContact O-N 3.29Å; I360-R364 HydrophobicContact CG2-CG 4.15Å; I360-R364 VanDerWaalsContact O-CB 3.26Å; I360-R364 WeakPolarHBondContact O-CB 3.44Å; I360-R364 WeakPolarHBondContact O-CG 3.39Å; I360-R364 PolarHBondContact O-N 3.46Å; I360-I479 HydrophobicContact CD1-CD1 3.82Å; I360-I479 HydrophobicContact CD1-CG1 3.76Å; I360-I479 HydrophobicContact CD1-CG2 4.25Å; I360-I479 HydrophobicContact CG1-CG1 4.47Å; I360-I479 HydrophobicContact CG1-CG2 4.19Å; I360-L482 HydrophobicContact CG2-CD1 4.01Å |
| 361 | T | 89.5 | Confident | 83.8 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 177.8 | -57.3 | 0 | 0 | 0 | 0 | 110.1 | R323 L326 L327 I330 R357 I358 A359 F365 V371 | R323-T361 PolarHBondContact NH1-OG1 3.4Å; L326-T361 HydrophobicContact CD2-CG2 3.87Å; L326-T361 HydrophobicContact CG-CG2 4.26Å; L327-T361 HydrophobicContact CD2-CG2 3.73Å; L327-T361 HydrophobicContact CG-CG2 4.45Å; I330-T361 HydrophobicContact CD1-CG2 3.77Å; R357-T361 PolarHBondContact O-N 3.4Å; R357-T361 PolarHBondContact O-OG1 3.37Å; I358-T361 WeakPolarHBondContact O-CB 3.25Å; I358-T361 PolarHBondContact O-N 3.16Å; I358-T361 VanDerWaalsContact O-N 3.08Å; A359-T361 VanDerWaalsContact C-N 3.29Å; A359-T361 PolarHBondContact O-N 2.83Å; T361-F365 PolarHBondContact O-N 3.15Å; T361-F365 VanDerWaalsContact O-N 3.13Å; T361-V371 HydrophobicContact CG2-CG1 3.89Å |
| 362 | A | 91.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.3 | -45.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L326 I347 A350 I358 A359 I360 R364 F365 L366 | L326-A362 HydrophobicContact CD1-CB 4.28Å; L326-A362 HydrophobicContact CD2-CB 4.06Å; I347-A362 HydrophobicContact CG2-CB 4.2Å; I347-A362 WeakPolarHBondContact O-CB 3.47Å; A350-A362 HydrophobicContact CB-CB 3.95Å; I358-A362 PolarHBondContact O-N 3.22Å; A359-A362 PolarHBondContact O-N 3.24Å; I360-A362 VanDerWaalsContact C-N 3.34Å; A362-R364 PolarHBondContact O-N 3.01Å; A362-F365 WeakPolarHBondContact O-CB 3.27Å; A362-F365 PolarHBondContact O-N 3.32Å; A362-L366 PolarHBondContact O-N 3.24Å |
| 363 | V | 90.5 | Very high | 79.3 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | A359 I360 F365 L366 L367 L482 Y483 L486 | A359-V363 WeakPolarHBondContact O-CB 3.48Å; A359-V363 VanDerWaalsContact O-CG2 3.23Å; A359-V363 WeakPolarHBondContact O-CG2 3.39Å; A359-V363 PolarHBondContact O-N 3.19Å; I360-V363 PolarHBondContact O-N 3.29Å; V363-F365 VanDerWaalsContact C-N 3.27Å; V363-F365 PolarHBondContact O-N 3.38Å; V363-L366 PolarHBondContact O-N 2.95Å; V363-L367 HydrophobicContact CG1-CD1 3.87Å; V363-L367 HydrophobicContact CG1-CG 4.33Å; V363-L367 WeakPolarHBondContact O-CB 3.3Å; V363-L367 VanDerWaalsContact O-CG 3.27Å; V363-L367 WeakPolarHBondContact O-CG 3.32Å; V363-L367 PolarHBondContact O-N 3.31Å; V363-L482 HydrophobicContact CG1-CB 3.95Å; V363-Y483 HydrophobicContact CG2-CD1 4.1Å; V363-Y483 HydrophobicContact CG2-CE1 3.79Å; V363-L486 HydrophobicContact CB-CD2 4.39Å; V363-L486 HydrophobicContact CG1-CB 4.16Å; V363-L486 HydrophobicContact CG1-CD2 4.22Å; V363-L486 HydrophobicContact CG2-CD2 3.9Å |
| 364 | R | 88.7 | Confident | 76.8 | Confident | 100 Ų | 100 | 45.7 Ų | 45.7 | 38% | 0.377 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62 | -35.6 | 177.4 | -76.8 | 176.2 | 178.3 | 173.2 | -1.4 | 112.4 | I360 A362 L367 G368 S369 V371 L482 | I360-R364 HydrophobicContact CG2-CG 4.15Å; I360-R364 VanDerWaalsContact O-CB 3.26Å; I360-R364 WeakPolarHBondContact O-CB 3.44Å; I360-R364 WeakPolarHBondContact O-CG 3.39Å; I360-R364 PolarHBondContact O-N 3.46Å; A362-R364 PolarHBondContact O-N 3.01Å; R364-L367 PolarHBondContact O-N 3.49Å; R364-G368 PolarHBondContact O-N 3.24Å; R364-S369 WeakPolarHBondContact CA-OG 3.21Å; R364-S369 WeakPolarHBondContact CB-OG 3.31Å; R364-S369 PolarHBondContact O-N 3.46Å; R364-S369 PolarHBondContact O-OG 3.08Å; R364-V371 HydrophobicContact CB-CG2 3.26Å; R364-V371 HydrophobicContact CG-CG2 4.22Å; R364-L482 HydrophobicContact CG-CD1 4.48Å |
| 365 | F | 88.1 | Confident | 74.6 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 5% | 0.053 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.6 | -48.5 | 173.5 | 163.9 | -96.9 | 0 | 0 | 0 | 111.9 | I330 Y333 R334 I347 T361 A362 V363 L367 G368 A452 | I330-F365 HydrophobicContact CB-CD2 4.1Å; I330-F365 HydrophobicContact CB-CE2 4.46Å; I330-F365 HydrophobicContact CD1-CB 3.8Å; I330-F365 HydrophobicContact CD1-CG 4.21Å; I330-F365 HydrophobicContact CG1-CB 3.95Å; I330-F365 HydrophobicContact CG1-CD1 4.35Å; I330-F365 HydrophobicContact CG1-CD2 3.85Å; I330-F365 HydrophobicContact CG1-CE2 4.38Å; I330-F365 HydrophobicContact CG1-CG 3.78Å; I330-F365 HydrophobicContact CG2-CB 4.37Å; I330-F365 HydrophobicContact CG2-CD2 3.51Å; I330-F365 HydrophobicContact CG2-CE2 4.1Å; I330-F365 HydrophobicContact CG2-CG 4.2Å; Y333-F365 AromaticContact CD1-CE2 3.74Å; Y333-F365 HydrophobicContact CD1-CE2 3.74Å; Y333-F365 AromaticContact CD1-CZ 3.35Å; Y333-F365 HydrophobicContact CD1-CZ 3.35Å; Y333-F365 HydrophobicContact CD2-CZ 4.49Å; Y333-F365 HydrophobicContact CE1-CE2 4.38Å; Y333-F365 AromaticContact CE1-CZ 3.75Å; Y333-F365 HydrophobicContact CE1-CZ 3.75Å; Y333-F365 HydrophobicContact CG-CE2 4.28Å; Y333-F365 AromaticContact CG-CZ 3.75Å; Y333-F365 HydrophobicContact CG-CZ 3.75Å; R334-F365 HydrophobicContact CG-CE2 4.25Å; I347-F365 HydrophobicContact CB-CD1 4.45Å; I347-F365 HydrophobicContact CB-CE1 4.31Å; I347-F365 HydrophobicContact CD1-CD1 4.25Å; I347-F365 HydrophobicContact CD1-CE1 3.64Å; I347-F365 HydrophobicContact CD1-CZ 3.85Å; I347-F365 HydrophobicContact CG2-CD1 3.41Å; I347-F365 VanDerWaalsContact CG2-CD1 3.41Å; I347-F365 HydrophobicContact CG2-CE1 3.73Å; I347-F365 HydrophobicContact CG2-CG 4.32Å; T361-F365 PolarHBondContact O-N 3.15Å; T361-F365 VanDerWaalsContact O-N 3.13Å; A362-F365 WeakPolarHBondContact O-CB 3.27Å; A362-F365 PolarHBondContact O-N 3.32Å; V363-F365 VanDerWaalsContact C-N 3.27Å; V363-F365 PolarHBondContact O-N 3.38Å; F365-L367 PolarHBondContact O-N 2.94Å; F365-G368 PolarHBondContact O-N 2.84Å; F365-A452 HydrophobicContact CE1-CB 4.08Å; F365-A452 HydrophobicContact CZ-CB 4.37Å |
| 366 | L | 87.3 | Confident | 72.1 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -28 | 177.2 | -67.4 | 171.9 | 0 | 0 | 0 | 112.2 | A362 V363 G368 A452 I453 F462 L486 | A362-L366 PolarHBondContact O-N 3.24Å; V363-L366 PolarHBondContact O-N 2.95Å; L366-G368 VanDerWaalsContact C-N 3.25Å; L366-G368 PolarHBondContact O-N 2.92Å; L366-A452 HydrophobicContact CD2-CB 4.04Å; L366-I453 HydrophobicContact CD2-CG1 4.4Å; L366-F462 HydrophobicContact CD1-CZ 4.33Å; L366-L486 HydrophobicContact CB-CD1 3.57Å; L366-L486 HydrophobicContact CD1-CD1 3.92Å; L366-L486 HydrophobicContact CD1-CD2 3.85Å; L366-L486 HydrophobicContact CG-CD1 4.38Å |
| 367 | L | 84.1 | Confident | 69.4 | Low | 16 Ų | 16 | 48.1 Ų | 48.1 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -2.8 | 172.9 | -67.5 | 176.6 | 0 | 0 | 0 | 113.9 | V363 R364 F365 S369 L482 A485 L486 R489 | V363-L367 HydrophobicContact CG1-CD1 3.87Å; V363-L367 HydrophobicContact CG1-CG 4.33Å; V363-L367 WeakPolarHBondContact O-CB 3.3Å; V363-L367 VanDerWaalsContact O-CG 3.27Å; V363-L367 WeakPolarHBondContact O-CG 3.32Å; V363-L367 PolarHBondContact O-N 3.31Å; R364-L367 PolarHBondContact O-N 3.49Å; F365-L367 PolarHBondContact O-N 2.94Å; L367-S369 VanDerWaalsContact C-N 3.25Å; L367-S369 PolarHBondContact O-N 3.41Å; L367-L482 HydrophobicContact CD1-CD2 3.87Å; L367-A485 HydrophobicContact CD1-CB 3.97Å; L367-A485 HydrophobicContact CD2-CB 3.9Å; L367-L486 HydrophobicContact CD2-CB 4.35Å; L367-R489 VanDerWaalsContact CA-NH1 3.32Å; L367-R489 PolarHBondContact O-NH1 3.27Å; L367-R489 PolarHBondContact O-NH2 3.13Å |
| 368 | G | 75.6 | Confident | 66.6 | Low | 21 Ų | 21 | 44.9 Ų | 44.9 | 22% | 0.216 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R364 F365 L366 D449 | R364-G368 PolarHBondContact O-N 3.24Å; F365-G368 PolarHBondContact O-N 2.84Å; L366-G368 VanDerWaalsContact C-N 3.25Å; L366-G368 PolarHBondContact O-N 2.92Å; G368-D449 WeakPolarHBondContact CA-OD1 3.27Å |
| 369 | S | 69.1 | Low | 63.7 | Low | 48 Ų | 48 | 51.1 Ų | 51.1 | 34% | 0.336 | 29% | 0.285 | S | S | . | . | trans | -77.5 | 131.3 | 175.6 | 26.4 | 0 | 0 | 0 | 0 | 110.9 | R334 R364 L367 V371 | R334-S369 PolarHBondContact NH2-O 3.01Å; R364-S369 WeakPolarHBondContact CA-OG 3.21Å; R364-S369 WeakPolarHBondContact CB-OG 3.31Å; R364-S369 PolarHBondContact O-N 3.46Å; R364-S369 PolarHBondContact O-OG 3.08Å; L367-S369 VanDerWaalsContact C-N 3.25Å; L367-S369 PolarHBondContact O-N 3.41Å; S369-V371 VanDerWaalsContact C-N 3.29Å; S369-V371 PolarHBondContact O-N 3.01Å | ||
| 370 | D | 54.2 | Low | 60.8 | Low | 99 Ų | 99 | 58 Ų | 58 | 53% | 0.529 | 32% | 0.322 | S | S | . | . | trans | -62.6 | 84.9 | 177.9 | -71.8 | -30 | 0 | 0 | 0 | 111.6 | T372 | D370-T372 PolarHBondContact O-N 3.42Š| ||
| 371 | V | 52.7 | Low | 57.9 | Low | 18 Ų | 18 | 63.7 Ų | 63.7 | 11% | 0.109 | 35% | 0.352 | C | S | . | . | trans | -74.9 | 83.1 | 158.4 | -166.5 | 0 | 0 | 0 | 0 | 106.6 | L327 R334 T361 R364 S369 | L327-V371 HydrophobicContact CD2-CG1 4.21Å; R334-V371 PolarHBondContact NH1-O 2.98Å; R334-V371 VanDerWaalsContact NH1-O 3.08Å; T361-V371 HydrophobicContact CG2-CG1 3.89Å; R364-V371 HydrophobicContact CB-CG2 3.26Å; R364-V371 HydrophobicContact CG-CG2 4.22Å; S369-V371 VanDerWaalsContact C-N 3.29Å; S369-V371 PolarHBondContact O-N 3.01Å | ||
| 372 | T | 44.8 | Very low | 55.2 | Low | 54 Ų | 54 | 71 Ų | 71 | 33% | 0.331 | 39% | 0.392 | S | S | . | . | trans | -90.7 | 143.6 | 154.3 | 52.3 | 0 | 0 | 0 | 0 | 106.8 | D370 N374 K375 | D370-T372 PolarHBondContact O-N 3.42Å; T372-N374 PolarHBondContact O-N 3.33Å; T372-K375 PolarHBondContact O-N 3.38Å | ||
| 373 | C | 41.8 | Very low | 52.3 | Low | 29 Ų | 29 | 78.1 Ų | 78.1 | 20% | 0.196 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -51 | -25 | 176 | 39.8 | 0 | 0 | 0 | 0 | 113 | M280 K375 | M280-C373 HydrophobicContact CE-CB 4.02Å; M280-C373 VanDerWaalsContact CE-SG 3.55Å; M280-C373 HydrophobicContact SD-CB 3.91Å; C373-K375 PolarHBondContact O-N 3.13Å |
| 374 | N | 34.7 | Very low | 49.5 | Very low | 119 Ų | 119 | 85 Ų | 85 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -72.5 | -18.3 | 179.4 | -65.4 | 2.2 | 0 | 0 | 0 | 114.8 | T372 | T372-N374 PolarHBondContact O-N 3.33Š|
| 375 | K | 40.6 | Very low | 46.7 | Very low | 147 Ų | 147 | 88.5 Ų | 88.5 | 64% | 0.639 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -98 | 4.8 | -177.6 | -73.9 | -177.1 | 177.3 | 176.6 | 0 | 115.2 | T372 C373 | T372-K375 PolarHBondContact O-N 3.38Å; C373-K375 PolarHBondContact O-N 3.13Å |
| 376 | A | 35.6 | Very low | 43.8 | Very low | 53 Ų | 53 | 95 Ų | 95 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -96.4 | 7.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 377 | I | 31.5 | Very low | 41.1 | Very low | 68 Ų | 68 | 102.8 Ų | 102.8 | 35% | 0.349 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -118.5 | 120.7 | 171.7 | -58.8 | 155.3 | 0 | 0 | 0 | 104.5 | D379 | I377-D379 VanDerWaalsContact C-N 3.31Å; I377-D379 PolarHBondContact O-N 2.89Å |
| 378 | P | 27.8 | Very low | 38.4 | Very low | 124 Ų | 124 | 109.4 Ų | 109.4 | 81% | 0.805 | 60% | 0.599 | S | S | * | * | trans | -74.2 | 92.8 | 176.2 | 29.6 | -28.2 | 0 | 0 | 0 | 107.6 | ||||
| 379 | D | 29.3 | Very low | 36.4 | Very low | 132 Ų | 132 | 116.1 Ų | 116.1 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | trans | -98.5 | 101 | 158.8 | -61.4 | -37.2 | 0 | 0 | 0 | 104.7 | I377 | I377-D379 VanDerWaalsContact C-N 3.31Å; I377-D379 PolarHBondContact O-N 2.89Å | ||
| 380 | D | 28.5 | Very low | 34.9 | Very low | 146 Ų | 146 | 120 Ų | 120 | 78% | 0.781 | 64% | 0.643 | S | S | * | * | trans | -60.5 | 147.7 | 154.8 | -84.4 | -42.1 | 0 | 0 | 0 | 107.2 | ||||
| 381 | D | 30 | Very low | 34.2 | Very low | 143 Ų | 143 | 121.1 Ų | 121.1 | 77% | 0.765 | 66% | 0.656 | S | S | * | * | trans | 80.1 | 102.6 | 179.3 | -50.1 | -37.4 | 0 | 0 | 0 | 115.1 | ||||
| 382 | D | 32.9 | Very low | 33.2 | Very low | 161 Ų | 161 | 124.7 Ų | 124.7 | 86% | 0.861 | 69% | 0.687 | S | S | * | * | -177.4 | 103.7 | 125.5 | -83.7 | -25.2 | 0 | 0 | 0 | 108.7 | |||||
| 383 | D | 30.5 | Very low | 32.8 | Very low | 148 Ų | 148 | 123.5 Ų | 123.5 | 79% | 0.791 | 68% | 0.681 | S | S | * | * | trans | -60.9 | 164.3 | 146.2 | -79.3 | -50.9 | 0 | 0 | 0 | 108.4 | ||||
| 384 | D | 32.4 | Very low | 32.8 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 78% | 0.775 | 70% | 0.702 | S | S | * | * | trans | 85.4 | 138.3 | 177 | -45.6 | -34.1 | 0 | 0 | 0 | 113.7 | ||||
| 385 | E | 29.2 | Very low | 33.1 | Very low | 174 Ų | 174 | 130 Ų | 130 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | cis | -162.1 | 162.7 | 9.7 | -124.4 | 166.9 | -166.3 | 0 | 0 | 106.8 | D387 | E385-D387 PolarHBondContact O-N 3.34Š| ||
| 386 | D | 27.6 | Very low | 33.4 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 80% | 0.802 | 71% | 0.714 | S | S | * | * | trans | -52.6 | 129.5 | 175.9 | -63.3 | -63.5 | 0 | 0 | 0 | 112.6 | ||||
| 387 | D | 29.8 | Very low | 33.8 | Very low | 164 Ų | 164 | 130.9 Ų | 130.9 | 88% | 0.877 | 71% | 0.708 | S | S | * | * | trans | -139.7 | 97.7 | 152.4 | -97.6 | -32.3 | 0 | 0 | 0 | 109.7 | E385 D389 | E385-D387 PolarHBondContact O-N 3.34Å; D387-D389 PolarHBondContact O-N 3.04Å | ||
| 388 | D | 28.8 | Very low | 34.3 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | trans | -60.6 | 107.4 | 159.2 | -84.7 | -50 | 0 | 0 | 0 | 109.2 | ||||
| 389 | D | 33.5 | Very low | 35.1 | Very low | 162 Ų | 162 | 128.3 Ų | 128.3 | 87% | 0.866 | 69% | 0.691 | S | S | * | * | trans | -154 | 108.9 | 150.9 | -92.9 | -38.9 | 0 | 0 | 0 | 110.9 | D387 | D387-D389 PolarHBondContact O-N 3.04Š| ||
| 390 | E | 36.6 | Very low | 36.2 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 60% | 0.603 | 69% | 0.689 | S | S | * | * | trans | -71 | 163.6 | 174.8 | -115.7 | -154.9 | -163.1 | 0 | 0 | 111.5 | ||||
| 391 | P | 39.2 | Very low | 37.1 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 80% | 0.799 | 67% | 0.668 | S | S | * | * | -150.1 | 159.8 | 94.8 | 32.2 | -11.1 | 0 | 0 | 0 | 117.6 | |||||
| 392 | A | 32.4 | Very low | 38.2 | Very low | 93 Ų | 93 | 129 Ų | 129 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | trans | 78 | 78.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 393 | S | 35.6 | Very low | 39.2 | Very low | 29 Ų | 29 | 129.3 Ų | 129.3 | 20% | 0.203 | 65% | 0.652 | C | S | . | * | trans | -93.5 | 131.3 | 159.1 | 75.7 | 0 | 0 | 0 | 0 | 111.5 | Q395 Q398 | S393-Q395 PolarHBondContact O-N 3.34Å; S393-Q398 PolarHBondContact OG-NE2 3.48Å | ||
| 394 | D | 41.8 | Very low | 40.5 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 63% | 0.626 | 63% | 0.634 | S | S | * | * | trans | -23.4 | 118.6 | 170.6 | -49.4 | -37.8 | 0 | 0 | 0 | 114.5 | E396 D397 Q398 | D394-E396 PolarHBondContact O-N 3.03Å; D394-D397 PolarHBondContact O-N 3.36Å; D394-Q398 PolarHBondContact O-N 3.2Å | ||
| 395 | Q | 41.2 | Very low | 41.8 | Very low | 168 Ų | 168 | 122.9 Ų | 122.9 | 79% | 0.785 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.2 | -29.6 | -173.1 | -70 | 175.6 | 0.7 | 0 | 0 | 113.4 | S393 Q398 S399 | S393-Q395 PolarHBondContact O-N 3.34Å; Q395-Q398 PolarHBondContact O-N 3.41Å; Q395-S399 PolarHBondContact O-N 3.43Å |
| 396 | E | 46.5 | Very low | 43.1 | Very low | 160 Ų | 160 | 121.6 Ų | 121.6 | 75% | 0.748 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.2 | -38.1 | 179.1 | -66.3 | -175.7 | 163.5 | 0 | 0 | 113.1 | D394 Q398 S399 R400 | D394-E396 PolarHBondContact O-N 3.03Å; E396-Q398 PolarHBondContact O-N 2.98Å; E396-S399 PolarHBondContact O-N 3.09Å; E396-R400 PolarHBondContact O-N 3.29Å |
| 397 | D | 44 | Very low | 44.9 | Very low | 58 Ų | 58 | 120.6 Ų | 120.6 | 31% | 0.31 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.7 | -25.5 | 177.6 | -101.8 | -6.8 | 0 | 0 | 0 | 111 | D394 R401 K443 | D394-D397 PolarHBondContact O-N 3.36Å; D397-R401 WeakPolarHBondContact O-CG 3.48Å; D397-R401 PolarHBondContact O-N 3.47Å; D397-R401 PolarHBondContact O-NE 3.27Å; D397-K443 IonicContact OD2-NZ 3.83Å |
| 398 | Q | 42.2 | Very low | 46.3 | Very low | 71 Ų | 71 | 116.3 Ų | 116.3 | 33% | 0.332 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -75.7 | -39.9 | 173.7 | -68 | -174 | -4.7 | 0 | 0 | 112 | S393 D394 Q395 E396 R400 R401 Y402 | S393-Q398 PolarHBondContact OG-NE2 3.48Å; D394-Q398 PolarHBondContact O-N 3.2Å; Q395-Q398 PolarHBondContact O-N 3.41Å; E396-Q398 PolarHBondContact O-N 2.98Å; Q398-R400 PolarHBondContact O-N 3.4Å; Q398-R401 WeakPolarHBondContact O-CB 3.29Å; Q398-R401 PolarHBondContact O-N 3.19Å; Q398-Y402 PolarHBondContact O-N 2.94Å |
| 399 | S | 45.3 | Very low | 48.1 | Very low | 67 Ų | 67 | 112.9 Ų | 112.9 | 47% | 0.469 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.3 | -40.7 | 176.6 | -98.9 | 0 | 0 | 0 | 0 | 112.8 | Q395 E396 Y402 R403 | Q395-S399 PolarHBondContact O-N 3.43Å; E396-S399 PolarHBondContact O-N 3.09Å; S399-Y402 PolarHBondContact O-N 3.39Å; S399-R403 WeakPolarHBondContact O-CG 3.14Å; S399-R403 PolarHBondContact O-N 2.76Å |
| 400 | R | 52 | Low | 49.6 | Very low | 177 Ų | 177 | 109.9 Ų | 109.9 | 67% | 0.668 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.7 | -36.6 | 174.7 | -67.2 | -175.7 | -176.4 | -161.3 | 2.7 | 112.7 | E396 Q398 T404 | E396-R400 PolarHBondContact O-N 3.29Å; Q398-R400 PolarHBondContact O-N 3.4Å; R400-T404 PolarHBondContact O-N 3.07Å; R400-T404 VanDerWaalsContact O-N 3.11Å; R400-T404 PolarHBondContact O-OG1 2.87Å |
| 401 | R | 47.5 | Very low | 51 | Low | 88 Ų | 88 | 107.1 Ų | 107.1 | 33% | 0.332 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 173.8 | -73.6 | 170.9 | -150.1 | 174.7 | 11.9 | 111 | D397 Q398 R403 L405 Y436 | D397-R401 WeakPolarHBondContact O-CG 3.48Å; D397-R401 PolarHBondContact O-N 3.47Å; D397-R401 PolarHBondContact O-NE 3.27Å; Q398-R401 WeakPolarHBondContact O-CB 3.29Å; Q398-R401 PolarHBondContact O-N 3.19Å; R401-R403 PolarHBondContact O-N 3.48Å; R401-L405 WeakPolarHBondContact O-CB 3.47Å; R401-L405 PolarHBondContact O-N 3.4Å; R401-Y436 PolarHBondContact NH2-OH 3.45Å |
| 402 | Y | 52.8 | Low | 52.2 | Low | 169 Ų | 169 | 104.1 Ų | 104.1 | 66% | 0.663 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63 | -41.6 | -179.8 | -95.5 | -80.3 | 0 | 0 | 0 | 111.3 | Q398 S399 K406 | Q398-Y402 PolarHBondContact O-N 2.94Å; S399-Y402 PolarHBondContact O-N 3.39Å; Y402-K406 WeakPolarHBondContact O-CB 3.36Å; Y402-K406 PolarHBondContact O-N 2.83Å |
| 403 | R | 53.7 | Low | 53.7 | Low | 169 Ų | 169 | 109.5 Ų | 109.5 | 64% | 0.638 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.5 | -54.4 | 177.1 | -70.5 | -178.1 | -168.5 | 167.1 | 2.8 | 112.9 | S399 R401 L405 K406 E407 | S399-R403 WeakPolarHBondContact O-CG 3.14Å; S399-R403 PolarHBondContact O-N 2.76Å; R401-R403 PolarHBondContact O-N 3.48Å; R403-L405 VanDerWaalsContact C-N 3.33Å; R403-L405 PolarHBondContact O-N 3.37Å; R403-K406 PolarHBondContact O-N 3.34Å; R403-E407 WeakPolarHBondContact O-CG 3.44Å; R403-E407 PolarHBondContact O-N 2.86Å |
| 404 | T | 57.7 | Low | 55.3 | Low | 68 Ų | 68 | 114.1 Ų | 114.1 | 42% | 0.417 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | -177.2 | -41.9 | 0 | 0 | 0 | 0 | 112.2 | R400 M408 | R400-T404 PolarHBondContact O-N 3.07Å; R400-T404 VanDerWaalsContact O-N 3.11Å; R400-T404 PolarHBondContact O-OG1 2.87Å; T404-M408 PolarHBondContact O-N 2.82Å |
| 405 | L | 59.6 | Low | 56.4 | Low | 90 Ų | 90 | 109.6 Ų | 109.6 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.1 | -37.4 | 178 | -161 | 106 | 0 | 0 | 0 | 111.4 | R401 R403 M408 L409 | R401-L405 WeakPolarHBondContact O-CB 3.47Å; R401-L405 PolarHBondContact O-N 3.4Å; R403-L405 VanDerWaalsContact C-N 3.33Å; R403-L405 PolarHBondContact O-N 3.37Å; L405-M408 PolarHBondContact O-N 2.8Å; L405-L409 HydrophobicContact CD2-CD1 3.72Å; L405-L409 HydrophobicContact CG-CD1 4.15Å; L405-L409 WeakPolarHBondContact O-CB 3.25Å; L405-L409 WeakPolarHBondContact O-CD1 3.46Å; L405-L409 VanDerWaalsContact O-CG 3.29Å; L405-L409 WeakPolarHBondContact O-CG 3.48Å; L405-L409 PolarHBondContact O-N 3.45Å |
| 406 | K | 57.7 | Low | 57.8 | Low | 147 Ų | 147 | 111 Ų | 111 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.6 | -41.4 | 177.7 | -170.4 | 174.8 | -174.5 | -177.6 | 0 | 111 | Y402 R403 L409 L410 | Y402-K406 WeakPolarHBondContact O-CB 3.36Å; Y402-K406 PolarHBondContact O-N 2.83Å; R403-K406 PolarHBondContact O-N 3.34Å; K406-L409 PolarHBondContact O-N 3.38Å; K406-L410 VanDerWaalsContact O-CB 3.3Å; K406-L410 WeakPolarHBondContact O-CB 3.47Å; K406-L410 PolarHBondContact O-N 3.28Å |
| 407 | E | 65 | Low | 59 | Low | 129 Ų | 129 | 111.5 Ų | 111.5 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.6 | -44.8 | 174.3 | -73.8 | 165.1 | -165.5 | 0 | 0 | 112.5 | R403 L409 L410 S411 | R403-E407 WeakPolarHBondContact O-CG 3.44Å; R403-E407 PolarHBondContact O-N 2.86Å; E407-L409 VanDerWaalsContact C-N 3.34Å; E407-L409 PolarHBondContact O-N 3.33Å; E407-L410 PolarHBondContact O-N 3.46Å; E407-S411 PolarHBondContact O-N 3.35Å; E407-S411 PolarHBondContact O-OG 3.17Å |
| 408 | M | 58.9 | Low | 60.5 | Low | 74 Ų | 74 | 111.7 Ų | 111.7 | 37% | 0.365 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -33.8 | 175.1 | -76.8 | -141.5 | -68.1 | 0 | 0 | 113.1 | T404 L405 S411 Y412 A428 | T404-M408 PolarHBondContact O-N 2.82Å; L405-M408 PolarHBondContact O-N 2.8Å; M408-S411 PolarHBondContact O-OG 3.38Å; M408-Y412 PolarHBondContact O-N 3.21Å; M408-A428 HydrophobicContact CE-CB 4.39Å |
| 409 | L | 66.7 | Low | 62.2 | Low | 83 Ų | 83 | 117.1 Ų | 117.1 | 44% | 0.435 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -71.8 | -36.2 | 173.5 | -77.6 | 163.2 | 0 | 0 | 0 | 112 | L405 K406 E407 Y412 R413 | L405-L409 HydrophobicContact CD2-CD1 3.72Å; L405-L409 HydrophobicContact CG-CD1 4.15Å; L405-L409 WeakPolarHBondContact O-CB 3.25Å; L405-L409 WeakPolarHBondContact O-CD1 3.46Å; L405-L409 VanDerWaalsContact O-CG 3.29Å; L405-L409 WeakPolarHBondContact O-CG 3.48Å; L405-L409 PolarHBondContact O-N 3.45Å; K406-L409 PolarHBondContact O-N 3.38Å; E407-L409 VanDerWaalsContact C-N 3.34Å; E407-L409 PolarHBondContact O-N 3.33Å; L409-Y412 PolarHBondContact O-N 3.31Å; L409-R413 WeakPolarHBondContact O-CB 3.19Å; L409-R413 PolarHBondContact O-N 3.48Å |
| 410 | L | 65.7 | Low | 63.6 | Low | 99 Ų | 99 | 122 Ų | 122 | 52% | 0.518 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.4 | -45.5 | 178.6 | -149.8 | 75.5 | 0 | 0 | 0 | 110.7 | K406 E407 Y412 R413 V414 | K406-L410 VanDerWaalsContact O-CB 3.3Å; K406-L410 WeakPolarHBondContact O-CB 3.47Å; K406-L410 PolarHBondContact O-N 3.28Å; E407-L410 PolarHBondContact O-N 3.46Å; L410-Y412 VanDerWaalsContact C-N 3.27Å; L410-Y412 PolarHBondContact O-N 3.01Å; L410-R413 WeakPolarHBondContact O-CB 3.48Å; L410-R413 PolarHBondContact O-N 3.23Å; L410-V414 WeakPolarHBondContact O-CG2 3.4Å; L410-V414 PolarHBondContact O-N 3.04Å; L410-V414 VanDerWaalsContact O-N 3.07Å |
| 411 | S | 64.5 | Low | 64 | Low | 70 Ų | 70 | 119.7 Ų | 119.7 | 49% | 0.49 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.2 | -32.8 | 175.4 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | E407 M408 | E407-S411 PolarHBondContact O-N 3.35Å; E407-S411 PolarHBondContact O-OG 3.17Å; M408-S411 PolarHBondContact O-OG 3.38Å |
| 412 | Y | 64.8 | Low | 65.3 | Low | 60 Ų | 60 | 118.2 Ų | 118.2 | 24% | 0.235 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -72.5 | -32.3 | 173.4 | -172 | -100.2 | 0 | 0 | 0 | 112.6 | M408 L409 L410 R421 L425 | M408-Y412 PolarHBondContact O-N 3.21Å; L409-Y412 PolarHBondContact O-N 3.31Å; L410-Y412 VanDerWaalsContact C-N 3.27Å; L410-Y412 PolarHBondContact O-N 3.01Å; Y412-R421 HydrophobicContact CE2-CB 4.36Å; Y412-L425 HydrophobicContact CD1-CD1 4.17Å; Y412-L425 HydrophobicContact CD2-CD1 3.54Å; Y412-L425 HydrophobicContact CE2-CD1 4.22Å; Y412-L425 HydrophobicContact CG-CD1 3.51Å |
| 413 | R | 64.8 | Low | 66.4 | Low | 206 Ų | 206 | 117.3 Ų | 117.3 | 78% | 0.777 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72 | -35.9 | 179.2 | -172.3 | 176.7 | -75.7 | -170.7 | -4.5 | 112.3 | L409 L410 | L409-R413 WeakPolarHBondContact O-CB 3.19Å; L409-R413 PolarHBondContact O-N 3.48Å; L410-R413 WeakPolarHBondContact O-CB 3.48Å; L410-R413 PolarHBondContact O-N 3.23Å |
| 414 | V | 69.7 | Low | 67.2 | Low | 127 Ų | 127 | 115.2 Ų | 115.2 | 77% | 0.77 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -82.5 | -18.1 | -175.9 | -179.5 | 0 | 0 | 0 | 0 | 112.9 | L410 | L410-V414 WeakPolarHBondContact O-CG2 3.4Å; L410-V414 PolarHBondContact O-N 3.04Å; L410-V414 VanDerWaalsContact O-N 3.07Å |
| 415 | G | 64.4 | Low | 67.8 | Low | 22 Ų | 22 | 113.4 Ų | 113.4 | 23% | 0.227 | 54% | 0.543 | C | S | . | . | S | Bend | trans | -102.8 | 162.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | K417 | G415-K417 PolarHBondContact O-N 3Š|
| 416 | K | 70.1 | Confident | 68.5 | Low | 197 Ų | 197 | 113.5 Ų | 113.5 | 86% | 0.857 | 54% | 0.541 | S | S | * | . | trans | -57.5 | 127.4 | 173.4 | -69 | -177 | -179.1 | 176.7 | 0 | 111.8 | S418 | K416-S418 PolarHBondContact O-N 3.29Š| ||
| 417 | K | 71.4 | Confident | 69.2 | Low | 171 Ų | 171 | 112.8 Ų | 112.8 | 74% | 0.743 | 54% | 0.537 | S | S | * | . | trans | -73.2 | 80 | -180 | -65.4 | -176.6 | -177.3 | 175.7 | 0 | 112.2 | G415 | G415-K417 PolarHBondContact O-N 3Š| ||
| 418 | S | 76.7 | Confident | 69.5 | Low | 62 Ų | 62 | 108 Ų | 108 | 43% | 0.434 | 52% | 0.521 | S | S | . | . | trans | -87.8 | 143.6 | 172.7 | 175.1 | 0 | 0 | 0 | 0 | 112.5 | K416 K420 R421 C422 | K416-S418 PolarHBondContact O-N 3.29Å; S418-K420 PolarHBondContact O-N 2.9Å; S418-K420 VanDerWaalsContact O-N 3.15Å; S418-K420 PolarHBondContact OG-N 3.47Å; S418-R421 PolarHBondContact O-N 3.4Å; S418-R421 VanDerWaalsContact O-N 3.07Å; S418-C422 PolarHBondContact O-N 2.99Å | ||
| 419 | K | 76.6 | Confident | 70.1 | Confident | 185 Ų | 185 | 108 Ų | 108 | 80% | 0.804 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -53.8 | -31.5 | 172.4 | -75.4 | -176.7 | 178.9 | 176.5 | 0 | 112.7 | K423 | K419-K423 WeakPolarHBondContact O-CG 3.3Å; K419-K423 PolarHBondContact O-N 3.09Å |
| 420 | K | 74.4 | Confident | 70.3 | Confident | 170 Ų | 170 | 108.6 Ų | 108.6 | 74% | 0.739 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.8 | -43.7 | 177.3 | -168.8 | 179.8 | 178.4 | -173.6 | 0 | 111.4 | S418 K423 M424 | S418-K420 PolarHBondContact O-N 2.9Å; S418-K420 VanDerWaalsContact O-N 3.15Å; S418-K420 PolarHBondContact OG-N 3.47Å; K420-K423 PolarHBondContact O-N 3.05Å; K420-M424 WeakPolarHBondContact O-CG 3.21Å; K420-M424 PolarHBondContact O-N 3.14Å |
| 421 | R | 62.3 | Low | 70.6 | Confident | 128 Ų | 128 | 109.5 Ų | 109.5 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 177.4 | -110.7 | -177.3 | 169.2 | 178.5 | -3.9 | 112.2 | Y412 S418 K423 M424 L425 | Y412-R421 HydrophobicContact CE2-CB 4.36Å; S418-R421 PolarHBondContact O-N 3.4Å; S418-R421 VanDerWaalsContact O-N 3.07Å; R421-K423 PolarHBondContact O-N 3.29Å; R421-M424 PolarHBondContact O-N 3.4Å; R421-L425 WeakPolarHBondContact O-CB 3.37Å; R421-L425 PolarHBondContact O-N 3.08Å |
| 422 | C | 74.3 | Confident | 70.6 | Confident | 56 Ų | 56 | 110.8 Ų | 110.8 | 38% | 0.378 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59 | -46.5 | 174 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | S418 M424 L425 E426 | S418-C422 PolarHBondContact O-N 2.99Å; C422-M424 VanDerWaalsContact C-N 3.33Å; C422-M424 PolarHBondContact O-N 3.22Å; C422-L425 PolarHBondContact O-N 3.41Å; C422-E426 PolarHBondContact O-N 3.44Å |
| 423 | K | 75.4 | Confident | 70.9 | Confident | 151 Ų | 151 | 116.8 Ų | 116.8 | 66% | 0.657 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.7 | -35.1 | 174.6 | -75.7 | -177.9 | 177.9 | -176.4 | 0 | 113.6 | K419 K420 R421 K427 | K419-K423 WeakPolarHBondContact O-CG 3.3Å; K419-K423 PolarHBondContact O-N 3.09Å; K420-K423 PolarHBondContact O-N 3.05Å; R421-K423 PolarHBondContact O-N 3.29Å; K423-K427 WeakPolarHBondContact O-CB 3.37Å; K423-K427 WeakPolarHBondContact O-CG 3.24Å; K423-K427 PolarHBondContact O-N 3.49Å |
| 424 | M | 70 | Confident | 71.3 | Confident | 124 Ų | 124 | 111.8 Ų | 111.8 | 61% | 0.611 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.6 | -40.5 | 175.8 | -73.8 | -70.9 | -76.9 | 0 | 0 | 111.7 | K420 R421 C422 K427 A428 | K420-M424 WeakPolarHBondContact O-CG 3.21Å; K420-M424 PolarHBondContact O-N 3.14Å; R421-M424 PolarHBondContact O-N 3.4Å; C422-M424 VanDerWaalsContact C-N 3.33Å; C422-M424 PolarHBondContact O-N 3.22Å; M424-K427 PolarHBondContact O-N 2.96Å; M424-A428 WeakPolarHBondContact O-CB 3.41Å; M424-A428 PolarHBondContact O-N 3.23Å |
| 425 | L | 71.2 | Confident | 71.2 | Confident | 31 Ų | 31 | 112.4 Ų | 112.4 | 16% | 0.162 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 177.2 | -172.9 | 156.7 | 0 | 0 | 0 | 111.6 | Y412 R421 C422 A428 K429 | Y412-L425 HydrophobicContact CD1-CD1 4.17Å; Y412-L425 HydrophobicContact CD2-CD1 3.54Å; Y412-L425 HydrophobicContact CE2-CD1 4.22Å; Y412-L425 HydrophobicContact CG-CD1 3.51Å; R421-L425 WeakPolarHBondContact O-CB 3.37Å; R421-L425 PolarHBondContact O-N 3.08Å; C422-L425 PolarHBondContact O-N 3.41Å; L425-A428 PolarHBondContact O-N 3.44Å; L425-K429 HydrophobicContact CD2-CD 3.72Å; L425-K429 HydrophobicContact CD2-CG 4.15Å; L425-K429 WeakPolarHBondContact O-CG 3.45Å; L425-K429 PolarHBondContact O-N 3.11Å |
| 426 | E | 73.5 | Confident | 71.1 | Confident | 91 Ų | 91 | 115.7 Ų | 115.7 | 43% | 0.425 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 173.6 | -77.4 | -61.6 | 124.3 | 0 | 0 | 111.9 | C422 A428 K429 E430 | C422-E426 PolarHBondContact O-N 3.44Å; E426-A428 PolarHBondContact O-N 3.45Å; E426-K429 PolarHBondContact O-N 2.88Å; E426-K429 IonicContact OE1-NZ 2.73Å; E426-K429 PolarHBondContact OE1-NZ 3.34Å; E426-E430 PolarHBondContact O-N 3.22Å |
| 427 | K | 73.7 | Confident | 70.9 | Confident | 132 Ų | 132 | 111.8 Ų | 111.8 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.7 | -41.8 | 173.7 | -77.4 | -179.7 | 177.8 | -173.6 | 0 | 112.7 | K423 M424 E430 E431 | K423-K427 WeakPolarHBondContact O-CB 3.37Å; K423-K427 WeakPolarHBondContact O-CG 3.24Å; K423-K427 PolarHBondContact O-N 3.49Å; M424-K427 PolarHBondContact O-N 2.96Å; K427-E430 PolarHBondContact O-N 2.89Å; K427-E431 WeakPolarHBondContact O-CG 3.48Å; K427-E431 PolarHBondContact O-N 3.32Å |
| 428 | A | 70.9 | Confident | 70.5 | Confident | 30 Ų | 30 | 109.7 Ų | 109.7 | 25% | 0.248 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -65.1 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M408 M424 L425 E426 E431 M432 | M408-A428 HydrophobicContact CE-CB 4.39Å; M424-A428 WeakPolarHBondContact O-CB 3.41Å; M424-A428 PolarHBondContact O-N 3.23Å; L425-A428 PolarHBondContact O-N 3.44Å; E426-A428 PolarHBondContact O-N 3.45Å; A428-E431 PolarHBondContact O-N 2.98Å; A428-M432 WeakPolarHBondContact O-CB 3.45Å; A428-M432 VanDerWaalsContact O-CG 3.26Å; A428-M432 WeakPolarHBondContact O-CG 3.32Å; A428-M432 PolarHBondContact O-N 2.77Å |
| 429 | K | 70.5 | Confident | 69.7 | Low | 74 Ų | 74 | 113 Ų | 113 | 32% | 0.322 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59 | -46.7 | 172.2 | -78.2 | 178.1 | 176.6 | 166.9 | 0 | 111.6 | L425 E426 M432 R433 | L425-K429 HydrophobicContact CD2-CD 3.72Å; L425-K429 HydrophobicContact CD2-CG 4.15Å; L425-K429 WeakPolarHBondContact O-CG 3.45Å; L425-K429 PolarHBondContact O-N 3.11Å; E426-K429 PolarHBondContact O-N 2.88Å; E426-K429 IonicContact OE1-NZ 2.73Å; E426-K429 PolarHBondContact OE1-NZ 3.34Å; K429-M432 PolarHBondContact O-N 3.07Å; K429-R433 WeakPolarHBondContact O-CB 3.25Å; K429-R433 WeakPolarHBondContact O-CG 3.39Å; K429-R433 PolarHBondContact O-N 3.16Å |
| 430 | E | 72 | Confident | 68.7 | Low | 94 Ų | 94 | 109.8 Ų | 109.8 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 176.8 | -85.1 | -169.9 | -152.1 | 0 | 0 | 112.5 | E426 K427 M432 R433 K434 | E426-E430 PolarHBondContact O-N 3.22Å; K427-E430 PolarHBondContact O-N 2.89Å; E430-M432 VanDerWaalsContact C-N 3.35Å; E430-R433 PolarHBondContact O-N 3.09Å; E430-K434 WeakPolarHBondContact O-CB 3.46Å; E430-K434 VanDerWaalsContact O-CG 3.26Å; E430-K434 WeakPolarHBondContact O-CG 3.48Å; E430-K434 PolarHBondContact O-N 3.47Å; E430-K434 IonicContact OE2-NZ 3.29Å; E430-K434 PolarHBondContact OE2-NZ 3.02Å |
| 431 | E | 72.2 | Confident | 67.7 | Low | 118 Ų | 118 | 107.5 Ų | 107.5 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.6 | -38.7 | 177.9 | -77.5 | -174.4 | -178.7 | 0 | 0 | 111.9 | K427 A428 K434 K435 | K427-E431 WeakPolarHBondContact O-CG 3.48Å; K427-E431 PolarHBondContact O-N 3.32Å; A428-E431 PolarHBondContact O-N 2.98Å; E431-K434 PolarHBondContact O-N 2.95Å; E431-K435 WeakPolarHBondContact O-CB 3.38Å; E431-K435 WeakPolarHBondContact O-CG 3.45Å; E431-K435 PolarHBondContact O-N 3.17Å |
| 432 | M | 63.9 | Low | 67.2 | Low | 98 Ų | 98 | 107.8 Ų | 107.8 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 173.6 | -72.8 | -64.5 | -79.8 | 0 | 0 | 111.6 | A428 K429 E430 K435 Y436 | A428-M432 WeakPolarHBondContact O-CB 3.45Å; A428-M432 VanDerWaalsContact O-CG 3.26Å; A428-M432 WeakPolarHBondContact O-CG 3.32Å; A428-M432 PolarHBondContact O-N 2.77Å; K429-M432 PolarHBondContact O-N 3.07Å; E430-M432 VanDerWaalsContact C-N 3.35Å; M432-K435 PolarHBondContact O-N 3.04Å; M432-Y436 VanDerWaalsContact O-CB 3.28Å; M432-Y436 WeakPolarHBondContact O-CB 3.39Å; M432-Y436 PolarHBondContact O-N 2.75Å |
| 433 | R | 71.8 | Confident | 65.9 | Low | 185 Ų | 185 | 110.3 Ų | 110.3 | 70% | 0.698 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59 | -46.9 | 172.1 | -77.4 | 179.4 | 172.2 | -172.6 | -3.8 | 111.4 | K429 E430 Y436 Q437 | K429-R433 WeakPolarHBondContact O-CB 3.25Å; K429-R433 WeakPolarHBondContact O-CG 3.39Å; K429-R433 PolarHBondContact O-N 3.16Å; E430-R433 PolarHBondContact O-N 3.09Å; R433-Y436 PolarHBondContact O-N 2.69Å; R433-Q437 WeakPolarHBondContact O-CB 3.14Å; R433-Q437 WeakPolarHBondContact O-CG 3.43Å; R433-Q437 PolarHBondContact O-N 2.7Å |
| 434 | K | 73.4 | Confident | 64.5 | Low | 101 Ų | 101 | 109.6 Ų | 109.6 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 177.7 | -74.2 | 167.2 | -172.4 | 156.2 | 0 | 112.1 | E430 E431 K438 | E430-K434 WeakPolarHBondContact O-CB 3.46Å; E430-K434 VanDerWaalsContact O-CG 3.26Å; E430-K434 WeakPolarHBondContact O-CG 3.48Å; E430-K434 PolarHBondContact O-N 3.47Å; E430-K434 IonicContact OE2-NZ 3.29Å; E430-K434 PolarHBondContact OE2-NZ 3.02Å; E431-K434 PolarHBondContact O-N 2.95Å; K434-K438 VanDerWaalsContact O-CB 3.31Å; K434-K438 WeakPolarHBondContact O-CB 3.46Å; K434-K438 WeakPolarHBondContact O-CG 3.29Å; K434-K438 PolarHBondContact O-N 3.41Å |
| 435 | K | 66.9 | Low | 63.5 | Low | 140 Ų | 140 | 106.8 Ų | 106.8 | 61% | 0.609 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.6 | -43.5 | 174.4 | -80.2 | -179 | -179 | 177.2 | 0 | 110.9 | E431 M432 K438 K439 | E431-K435 WeakPolarHBondContact O-CB 3.38Å; E431-K435 WeakPolarHBondContact O-CG 3.45Å; E431-K435 PolarHBondContact O-N 3.17Å; M432-K435 PolarHBondContact O-N 3.04Å; K435-K438 PolarHBondContact O-N 3.4Å; K435-K439 WeakPolarHBondContact O-CB 3.4Å; K435-K439 PolarHBondContact O-N 2.94Å |
| 436 | Y | 62.4 | Low | 62.2 | Low | 91 Ų | 91 | 108.3 Ų | 108.3 | 36% | 0.357 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.1 | -45.6 | 178.9 | -174.3 | -95.8 | 0 | 0 | 0 | 112.1 | R401 M432 R433 K438 K439 R440 | R401-Y436 PolarHBondContact NH2-OH 3.45Å; M432-Y436 VanDerWaalsContact O-CB 3.28Å; M432-Y436 WeakPolarHBondContact O-CB 3.39Å; M432-Y436 PolarHBondContact O-N 2.75Å; R433-Y436 PolarHBondContact O-N 2.69Å; Y436-K438 VanDerWaalsContact C-N 3.31Å; Y436-K438 PolarHBondContact O-N 2.99Å; Y436-K439 CarbonylContact O-C 3.35Å; Y436-K439 PolarHBondContact O-N 2.68Å; Y436-K439 VanDerWaalsContact O-N 3.07Å; Y436-R440 WeakPolarHBondContact O-CB 3.46Å; Y436-R440 PolarHBondContact O-N 2.83Å |
| 437 | Q | 65.4 | Low | 60.8 | Low | 116 Ų | 116 | 109.9 Ų | 109.9 | 54% | 0.542 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.4 | -45.1 | 171.6 | -77.5 | 177.2 | -7.1 | 0 | 0 | 110.9 | R433 K439 R440 Q441 | R433-Q437 WeakPolarHBondContact O-CB 3.14Å; R433-Q437 WeakPolarHBondContact O-CG 3.43Å; R433-Q437 PolarHBondContact O-N 2.7Å; Q437-K439 PolarHBondContact O-N 3.01Å; Q437-R440 PolarHBondContact O-N 3.44Å; Q437-Q441 VanDerWaalsContact O-CB 3.3Å; Q437-Q441 WeakPolarHBondContact O-CB 3.44Å; Q437-Q441 VanDerWaalsContact O-CG 3.27Å; Q437-Q441 WeakPolarHBondContact O-CG 3.41Å; Q437-Q441 PolarHBondContact O-N 2.96Å |
| 438 | K | 63.2 | Low | 59.4 | Low | 127 Ų | 127 | 105.5 Ų | 105.5 | 55% | 0.552 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.5 | -39.2 | 173.6 | -75.6 | 173.5 | -178.1 | -179.9 | 0 | 112.6 | K434 K435 Y436 R442 | K434-K438 VanDerWaalsContact O-CB 3.31Å; K434-K438 WeakPolarHBondContact O-CB 3.46Å; K434-K438 WeakPolarHBondContact O-CG 3.29Å; K434-K438 PolarHBondContact O-N 3.41Å; K435-K438 PolarHBondContact O-N 3.4Å; Y436-K438 VanDerWaalsContact C-N 3.31Å; Y436-K438 PolarHBondContact O-N 2.99Å; K438-R442 VanDerWaalsContact O-CB 3.29Å; K438-R442 WeakPolarHBondContact O-CB 3.11Å; K438-R442 WeakPolarHBondContact O-CG 3.32Å; K438-R442 PolarHBondContact O-N 3.46Å |
| 439 | K | 58.9 | Low | 58.8 | Low | 132 Ų | 132 | 105.7 Ų | 105.7 | 57% | 0.574 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69.3 | -40.1 | 177.9 | -153.7 | 179.1 | -172.8 | -176.1 | 0 | 111.1 | K435 Y436 Q437 R442 K443 | K435-K439 WeakPolarHBondContact O-CB 3.4Å; K435-K439 PolarHBondContact O-N 2.94Å; Y436-K439 CarbonylContact O-C 3.35Å; Y436-K439 PolarHBondContact O-N 2.68Å; Y436-K439 VanDerWaalsContact O-N 3.07Å; Q437-K439 PolarHBondContact O-N 3.01Å; K439-R442 PolarHBondContact O-N 3.43Å; K439-K443 WeakPolarHBondContact O-CB 3.41Å; K439-K443 WeakPolarHBondContact O-CG 3.43Å; K439-K443 PolarHBondContact O-N 2.96Å |
| 440 | R | 55.6 | Low | 58.5 | Low | 116 Ų | 116 | 103 Ų | 103 | 44% | 0.438 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 176 | -159.2 | 177.5 | 178.7 | -159.8 | 0.9 | 111 | Y436 Q437 K443 K444 | Y436-R440 WeakPolarHBondContact O-CB 3.46Å; Y436-R440 PolarHBondContact O-N 2.83Å; Q437-R440 PolarHBondContact O-N 3.44Å; R440-K443 PolarHBondContact O-N 3.17Å; R440-K444 HydrophobicContact CG-CD 4.47Å; R440-K444 VanDerWaalsContact O-CB 3.27Å; R440-K444 WeakPolarHBondContact O-CB 3.47Å; R440-K444 WeakPolarHBondContact O-CG 3.42Å; R440-K444 PolarHBondContact O-N 2.93Å |
| 441 | Q | 54.2 | Low | 58.8 | Low | 122 Ų | 122 | 98.7 Ų | 98.7 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.1 | -46.3 | 170.5 | -76.3 | 176 | -2.3 | 0 | 0 | 111 | Q437 K443 K444 S445 | Q437-Q441 VanDerWaalsContact O-CB 3.3Å; Q437-Q441 WeakPolarHBondContact O-CB 3.44Å; Q437-Q441 VanDerWaalsContact O-CG 3.27Å; Q437-Q441 WeakPolarHBondContact O-CG 3.41Å; Q437-Q441 PolarHBondContact O-N 2.96Å; Q441-K443 PolarHBondContact O-N 3.41Å; Q441-K444 PolarHBondContact O-N 3.39Å; Q441-S445 WeakPolarHBondContact O-CB 3.44Å; Q441-S445 PolarHBondContact O-N 2.98Å; Q441-S445 PolarHBondContact O-OG 3.17Å |
| 442 | R | 50.8 | Low | 59.3 | Low | 134 Ų | 134 | 93.2 Ų | 93.2 | 51% | 0.506 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 175.5 | -77 | 171.7 | 178.2 | -166.5 | -1.5 | 113.1 | K438 K439 | K438-R442 VanDerWaalsContact O-CB 3.29Å; K438-R442 WeakPolarHBondContact O-CB 3.11Å; K438-R442 WeakPolarHBondContact O-CG 3.32Å; K438-R442 PolarHBondContact O-N 3.46Å; K439-R442 PolarHBondContact O-N 3.43Å |
| 443 | K | 47.5 | Very low | 60.4 | Low | 109 Ų | 109 | 88.7 Ų | 88.7 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | I | π-helix | trans | -68.9 | -37.6 | 175.2 | -77.4 | -172.9 | 175.3 | -172.3 | 0 | 111.8 | D397 K439 R440 Q441 | D397-K443 IonicContact OD2-NZ 3.83Å; K439-K443 WeakPolarHBondContact O-CB 3.41Å; K439-K443 WeakPolarHBondContact O-CG 3.43Å; K439-K443 PolarHBondContact O-N 2.96Å; R440-K443 PolarHBondContact O-N 3.17Å; Q441-K443 PolarHBondContact O-N 3.41Å |
| 444 | K | 47.1 | Very low | 61.2 | Low | 137 Ų | 137 | 85.2 Ų | 85.2 | 60% | 0.596 | 39% | 0.391 | S | S | * | . | I | π-helix | trans | -78.9 | -34.5 | -177.2 | -77.6 | -173.9 | 175.9 | -169 | 0 | 114.2 | R440 Q441 | R440-K444 HydrophobicContact CG-CD 4.47Å; R440-K444 VanDerWaalsContact O-CB 3.27Å; R440-K444 WeakPolarHBondContact O-CB 3.47Å; R440-K444 WeakPolarHBondContact O-CG 3.42Å; R440-K444 PolarHBondContact O-N 2.93Å; Q441-K444 PolarHBondContact O-N 3.39Å |
| 445 | S | 47.8 | Very low | 61.9 | Low | 65 Ų | 65 | 82.7 Ų | 82.7 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | I | π-helix | trans | -118.1 | 14.8 | -164.4 | 82.5 | 0 | 0 | 0 | 0 | 115 | Q441 D449 | Q441-S445 WeakPolarHBondContact O-CB 3.44Å; Q441-S445 PolarHBondContact O-N 2.98Å; Q441-S445 PolarHBondContact O-OG 3.17Å; S445-D449 WeakPolarHBondContact CA-OD2 3.34Å |
| 446 | F | 44.3 | Very low | 63 | Low | 62 Ų | 62 | 76.6 Ų | 76.6 | 27% | 0.272 | 36% | 0.356 | S | S | . | . | I | π-helix | trans | -148 | -44.3 | -175.4 | -137.7 | -93.2 | 0 | 0 | 0 | 114.9 | D449 M450 V766 | F446-D449 PolarHBondContact N-OD2 3.45Å; F446-M450 HydrophobicContact CE1-CE 4.5Å; F446-M450 HydrophobicContact CZ-CE 4.25Å; F446-V766 HydrophobicContact CE1-CB 3.67Å; F446-V766 HydrophobicContact CE1-CG1 4.33Å; F446-V766 HydrophobicContact CE1-CG2 3.55Å; F446-V766 HydrophobicContact CE2-CB 4.5Å; F446-V766 HydrophobicContact CZ-CB 3.35Å; F446-V766 HydrophobicContact CZ-CG1 3.6Å; F446-V766 HydrophobicContact CZ-CG2 3.71Å |
| 447 | I | 43.4 | Very low | 64.3 | Low | 124 Ų | 124 | 78.1 Ų | 78.1 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | I | π-helix | trans | -86 | -29 | -178.8 | -58.8 | 173.8 | 0 | 0 | 0 | 111.4 | ||
| 448 | A | 45.2 | Very low | 65.6 | Low | 40 Ų | 40 | 77 Ų | 77 | 33% | 0.331 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -74.2 | -29.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 449 | D | 57.6 | Low | 67.1 | Low | 35 Ų | 35 | 72.2 Ų | 72.2 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -79.3 | -31.5 | -171.5 | -58.9 | -33.6 | 0 | 0 | 0 | 112.7 | G368 S445 F446 | G368-D449 WeakPolarHBondContact CA-OD1 3.27Å; S445-D449 WeakPolarHBondContact CA-OD2 3.34Å; F446-D449 PolarHBondContact N-OD2 3.45Å |
| 450 | M | 65.5 | Low | 68.7 | Low | 16 Ų | 16 | 68.5 Ų | 68.5 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -83.7 | -23.9 | -178.1 | -62.2 | -60.4 | 170.8 | 0 | 0 | 113.3 | F446 A452 I453 E454 M492 V493 | F446-M450 HydrophobicContact CE1-CE 4.5Å; F446-M450 HydrophobicContact CZ-CE 4.25Å; M450-A452 PolarHBondContact O-N 3.2Å; M450-A452 VanDerWaalsContact O-N 3.14Å; M450-I453 WeakPolarHBondContact O-CB 3.28Å; M450-I453 PolarHBondContact O-N 3.26Å; M450-I453 HydrophobicContact SD-CD1 4.25Å; M450-E454 WeakPolarHBondContact O-CG 3.41Å; M450-E454 PolarHBondContact O-N 3.48Å; M450-M492 HydrophobicContact CE-CE 3.88Å; M450-M492 HydrophobicContact SD-CE 4.34Å; M450-V493 HydrophobicContact SD-CG2 3.76Å |
| 451 | S | 76.8 | Confident | 70.6 | Confident | 5 Ų | 5 | 67.2 Ų | 67.2 | 4% | 0.035 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.4 | -32.7 | -177.6 | 174.4 | 0 | 0 | 0 | 0 | 113.5 | R339 I453 M455 | R339-S451 PolarHBondContact NE-OG 2.99Å; R339-S451 PolarHBondContact NH2-OG 2.85Å; S451-I453 VanDerWaalsContact C-N 3.34Å; S451-M455 WeakPolarHBondContact O-CE 3.23Å; S451-M455 WeakPolarHBondContact O-CG 3.4Å; S451-M455 PolarHBondContact O-N 3.2Å |
| 452 | A | 84.2 | Confident | 72.5 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68 | -37.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y333 F365 L366 M450 V456 | Y333-A452 HydrophobicContact CE1-CB 4.11Å; Y333-A452 VanDerWaalsContact OH-CA 3.23Å; Y333-A452 WeakPolarHBondContact OH-CA 3.28Å; Y333-A452 WeakPolarHBondContact OH-CB 3.48Å; Y333-A452 PolarHBondContact OH-N 3.43Å; F365-A452 HydrophobicContact CE1-CB 4.08Å; F365-A452 HydrophobicContact CZ-CB 4.37Å; L366-A452 HydrophobicContact CD2-CB 4.04Å; M450-A452 PolarHBondContact O-N 3.2Å; M450-A452 VanDerWaalsContact O-N 3.14Å; A452-V456 WeakPolarHBondContact O-CG2 3.26Å |
| 453 | I | 86.4 | Confident | 74.5 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.8 | -40.5 | 178 | -63.2 | 174.6 | 0 | 0 | 0 | 110.2 | L366 M450 S451 M455 V456 R489 V490 V493 H494 | L366-I453 HydrophobicContact CD2-CG1 4.4Å; M450-I453 WeakPolarHBondContact O-CB 3.28Å; M450-I453 PolarHBondContact O-N 3.26Å; M450-I453 HydrophobicContact SD-CD1 4.25Å; S451-I453 VanDerWaalsContact C-N 3.34Å; I453-M455 PolarHBondContact O-N 3.06Å; I453-V456 WeakPolarHBondContact O-CB 3.2Å; I453-V456 WeakPolarHBondContact O-CG2 3.23Å; I453-V456 PolarHBondContact O-N 3.13Å; I453-R489 HydrophobicContact CD1-CB 4.13Å; I453-V490 HydrophobicContact CG2-CG2 4.07Å; I453-V493 HydrophobicContact CG2-CB 4.05Å; I453-V493 HydrophobicContact CG2-CG1 4.16Å; I453-V493 HydrophobicContact CG2-CG2 4.19Å; I453-H494 PolarHBondContact O-NE2 2.91Å |
| 454 | E | 87.8 | Confident | 76.8 | Confident | 113 Ų | 113 | 53.1 Ų | 53.1 | 53% | 0.528 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.4 | -32.3 | 177 | -71 | 165.9 | -167.9 | 0 | 0 | 112.7 | M450 V493 | M450-E454 WeakPolarHBondContact O-CG 3.41Å; M450-E454 PolarHBondContact O-N 3.48Å; E454-V493 HydrophobicContact CG-CG1 3.7Å |
| 455 | M | 88 | Confident | 79 | Confident | 47 Ų | 47 | 50 Ų | 50 | 23% | 0.232 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 6 | -178.1 | -67.4 | -172.9 | -65.3 | 0 | 0 | 114.6 | Y333 R339 A344 N345 S451 I453 | Y333-M455 HydrophobicContact CE2-CE 3.79Å; Y333-M455 WeakPolarHBondContact OH-CE 3.08Å; R339-M455 HydrophobicContact CG-CE 4.11Å; A344-M455 HydrophobicContact CB-CB 4.08Å; A344-M455 HydrophobicContact CB-CE 4.17Å; N345-M455 PolarHBondContact ND2-O 3.4Å; S451-M455 WeakPolarHBondContact O-CE 3.23Å; S451-M455 WeakPolarHBondContact O-CG 3.4Å; S451-M455 PolarHBondContact O-N 3.2Å; I453-M455 PolarHBondContact O-N 3.06Å |
| 456 | V | 90.1 | Very high | 81.2 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | trans | -71.6 | 132.1 | 179.5 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | N345 A348 A452 I453 F462 | N345-V456 WeakPolarHBondContact OD1-CA 3.36Å; A348-V456 HydrophobicContact CB-CG2 4.21Å; A452-V456 WeakPolarHBondContact O-CG2 3.26Å; I453-V456 WeakPolarHBondContact O-CB 3.2Å; I453-V456 WeakPolarHBondContact O-CG2 3.23Å; I453-V456 PolarHBondContact O-N 3.13Å; V456-F462 HydrophobicContact CG1-CB 4.23Å; V456-F462 HydrophobicContact CG1-CD1 4.04Å; V456-F462 HydrophobicContact CG1-CG 4.15Å | ||
| 457 | Y | 90.7 | Very high | 83.6 | Confident | 122 Ų | 122 | 44.2 Ų | 44.2 | 48% | 0.478 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -74.5 | 133.7 | 171.5 | -57.8 | -28.4 | 0 | 0 | 0 | 109.6 | D341 N345 | D341-Y457 HydrophobicContact CB-CE1 4.05Å; D341-Y457 PolarHBondContact OD2-OH 3.39Å; N345-Y457 HydrophobicContact CB-CD2 3.92Å; N345-Y457 HydrophobicContact CB-CE2 4.03Å; N345-Y457 HydrophobicContact CB-CG 4.49Å; N345-Y457 VanDerWaalsContact CG-CG 3.47Å; N345-Y457 VanDerWaalsContact ND2-CD1 3.25Å; N345-Y457 WeakPolarHBondContact ND2-CD1 3.35Å; N345-Y457 VanDerWaalsContact ND2-CD2 3.3Å; N345-Y457 WeakPolarHBondContact ND2-CD2 3.36Å; N345-Y457 VanDerWaalsContact ND2-CE1 3.29Å; N345-Y457 WeakPolarHBondContact ND2-CE1 3.45Å; N345-Y457 VanDerWaalsContact ND2-CE2 3.34Å; N345-Y457 WeakPolarHBondContact ND2-CE2 3.28Å; N345-Y457 VanDerWaalsContact ND2-CG 3.25Å; N345-Y457 VanDerWaalsContact ND2-CZ 3.33Å; N345-Y457 PolarHBondContact OD1-N 3.04Å |
| 458 | D | 93.5 | Very high | 86 | Confident | 94 Ų | 94 | 45.3 Ų | 45.3 | 50% | 0.503 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 42 | 71.9 | -176.5 | -164.7 | -11.2 | 0 | 0 | 0 | 113.1 | Q460 E461 F462 | D458-Q460 PolarHBondContact O-N 2.94Å; D458-Q460 PolarHBondContact OD1-N 2.94Å; D458-E461 HydrophobicContact CB-CB 4.31Å; D458-E461 PolarHBondContact O-N 3.41Å; D458-E461 PolarHBondContact OD1-N 3.45Å; D458-E461 VanDerWaalsContact OD1-N 3.11Å; D458-E461 WeakPolarHBondContact OD2-CB 3.49Å; D458-F462 WeakPolarHBondContact O-CB 3.45Å; D458-F462 PolarHBondContact O-N 2.9Å; D458-F462 VanDerWaalsContact O-N 3.11Å |
| 459 | P | 92.9 | Very high | 88.2 | Confident | 25 Ų | 25 | 45.3 Ų | 45.3 | 16% | 0.162 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -24.8 | -177.7 | 26.5 | -35.5 | 0 | 0 | 0 | 112.7 | A463 V490 H494 L496 | P459-A463 WeakPolarHBondContact O-CB 3.3Å; P459-A463 PolarHBondContact O-N 3.05Å; P459-V490 HydrophobicContact CB-CG1 4.3Å; P459-H494 HydrophobicContact CB-CB 4.15Å; P459-H494 VanDerWaalsContact CB-CD2 3.44Å; P459-H494 WeakPolarHBondContact CB-CD2 3.44Å; P459-H494 HydrophobicContact CG-CB 4.05Å; P459-L496 HydrophobicContact CB-CD1 4.26Å; P459-L496 HydrophobicContact CB-CD2 4.29Å; P459-L496 HydrophobicContact CG-CD2 4.16Å; P459-L496 VanDerWaalsContact O-CD1 3.32Å; P459-L496 WeakPolarHBondContact O-CD1 3.42Å |
| 460 | Q | 93.5 | Very high | 89.8 | Confident | 55 Ų | 55 | 43.6 Ų | 43.6 | 26% | 0.257 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.5 | -54.4 | 177.6 | -178.6 | 69.5 | 22.8 | 0 | 0 | 110.7 | D458 F462 A463 E464 L496 I497 | D458-Q460 PolarHBondContact O-N 2.94Å; D458-Q460 PolarHBondContact OD1-N 2.94Å; Q460-F462 VanDerWaalsContact C-N 3.25Å; Q460-F462 PolarHBondContact O-N 3.48Å; Q460-A463 PolarHBondContact O-N 3.4Å; Q460-E464 PolarHBondContact NE2-OE1 3.39Å; Q460-E464 VanDerWaalsContact NE2-OE1 3.14Å; Q460-E464 PolarHBondContact O-N 2.9Å; Q460-L496 HydrophobicContact CB-CD2 4.27Å; Q460-I497 PolarHBondContact NE2-O 3.21Å |
| 461 | E | 94.6 | Very high | 91 | Very high | 88 Ų | 88 | 47.6 Ų | 47.6 | 41% | 0.411 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62 | -38 | 179.2 | -163 | -159.2 | -171.1 | 0 | 0 | 111.1 | D458 E464 K465 | D458-E461 HydrophobicContact CB-CB 4.31Å; D458-E461 PolarHBondContact O-N 3.41Å; D458-E461 PolarHBondContact OD1-N 3.45Å; D458-E461 VanDerWaalsContact OD1-N 3.11Å; D458-E461 WeakPolarHBondContact OD2-CB 3.49Å; E461-E464 PolarHBondContact O-N 3.43Å; E461-K465 VanDerWaalsContact CD-CE 3.42Å; E461-K465 HydrophobicContact CG-CD 4.31Å; E461-K465 WeakPolarHBondContact O-CB 3.48Å; E461-K465 WeakPolarHBondContact O-CG 3.48Å; E461-K465 PolarHBondContact O-N 3.48Å; E461-K465 WeakPolarHBondContact OE1-CE 3.27Å; E461-K465 IonicContact OE1-NZ 3.18Å; E461-K465 PolarHBondContact OE1-NZ 3.28Å; E461-K465 IonicContact OE2-NZ 3.6Å; E461-K465 PolarHBondContact OE2-NZ 2.92Å |
| 462 | F | 94 | Very high | 91.6 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 174.8 | 178.5 | -116.6 | 0 | 0 | 0 | 112.6 | A348 S351 L352 L366 V456 D458 Q460 E464 K465 L466 L486 V490 | A348-F462 HydrophobicContact CB-CE1 4.48Å; A348-F462 HydrophobicContact CB-CE2 3.94Å; A348-F462 HydrophobicContact CB-CZ 3.89Å; A348-F462 VanDerWaalsContact O-CE2 3.31Å; A348-F462 WeakPolarHBondContact O-CE2 3.49Å; S351-F462 WeakPolarHBondContact OG-CE2 3.42Å; S351-F462 WeakPolarHBondContact OG-CZ 3.37Å; L352-F462 HydrophobicContact CD1-CD2 4.4Å; L352-F462 HydrophobicContact CG-CE2 4.43Å; L366-F462 HydrophobicContact CD1-CZ 4.33Å; V456-F462 HydrophobicContact CG1-CB 4.23Å; V456-F462 HydrophobicContact CG1-CD1 4.04Å; V456-F462 HydrophobicContact CG1-CG 4.15Å; D458-F462 WeakPolarHBondContact O-CB 3.45Å; D458-F462 PolarHBondContact O-N 2.9Å; D458-F462 VanDerWaalsContact O-N 3.11Å; Q460-F462 VanDerWaalsContact C-N 3.25Å; Q460-F462 PolarHBondContact O-N 3.48Å; F462-E464 PolarHBondContact O-N 2.71Å; F462-K465 PolarHBondContact O-N 2.85Å; F462-L466 HydrophobicContact CD1-CD1 4.01Å; F462-L466 HydrophobicContact CD2-CD1 4.47Å; F462-L466 HydrophobicContact CE1-CD1 3.49Å; F462-L466 VanDerWaalsContact CE1-CD1 3.49Å; F462-L466 HydrophobicContact CE1-CG 4.46Å; F462-L466 HydrophobicContact CE2-CD1 3.98Å; F462-L466 HydrophobicContact CE2-CG 4.12Å; F462-L466 HydrophobicContact CG-CD1 4.48Å; F462-L466 HydrophobicContact CZ-CD1 3.48Å; F462-L466 VanDerWaalsContact CZ-CD1 3.48Å; F462-L466 HydrophobicContact CZ-CG 4.11Å; F462-L466 WeakPolarHBondContact O-CG 3.46Å; F462-L466 PolarHBondContact O-N 3.45Å; F462-L486 HydrophobicContact CZ-CD2 4.45Å; F462-V490 HydrophobicContact CD1-CG1 4.5Å; F462-V490 HydrophobicContact CD1-CG2 4.47Å; F462-V490 HydrophobicContact CE1-CG2 4.23Å |
| 463 | A | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | P459 Q460 L466 F467 V490 L496 | P459-A463 WeakPolarHBondContact O-CB 3.3Å; P459-A463 PolarHBondContact O-N 3.05Å; Q460-A463 PolarHBondContact O-N 3.4Å; A463-L466 PolarHBondContact O-N 3.44Å; A463-F467 WeakPolarHBondContact O-CB 3.42Å; A463-F467 PolarHBondContact O-N 3.45Å; A463-V490 HydrophobicContact CB-CG1 4.32Å; A463-L496 HydrophobicContact CB-CD1 3.76Å |
| 464 | E | 94.4 | Very high | 91.4 | Very high | 62 Ų | 62 | 66.1 Ų | 66.1 | 29% | 0.29 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 175.9 | -74 | -174.8 | -161.6 | 0 | 0 | 112.6 | Q460 E461 F462 L466 F467 R468 L498 | Q460-E464 PolarHBondContact NE2-OE1 3.39Å; Q460-E464 VanDerWaalsContact NE2-OE1 3.14Å; Q460-E464 PolarHBondContact O-N 2.9Å; E461-E464 PolarHBondContact O-N 3.43Å; F462-E464 PolarHBondContact O-N 2.71Å; E464-L466 VanDerWaalsContact C-N 3.32Å; E464-L466 PolarHBondContact O-N 2.88Å; E464-F467 PolarHBondContact O-N 3.06Å; E464-R468 WeakPolarHBondContact O-CG 3.46Å; E464-R468 PolarHBondContact O-N 2.97Å; E464-R468 IonicContact OE2-NH2 2.62Å; E464-R468 PolarHBondContact OE2-NH2 3.39Å; E464-L498 HydrophobicContact CG-CD1 3.84Å |
| 465 | K | 94.2 | Very high | 91.3 | Very high | 72 Ų | 72 | 62.6 Ų | 62.6 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 176.2 | -76.2 | 172 | 177.9 | 164.7 | 0 | 111.3 | L352 E461 F462 F467 K469 | L352-K465 HydrophobicContact CD1-CB 3.96Å; L352-K465 HydrophobicContact CD1-CD 3.97Å; L352-K465 HydrophobicContact CD2-CB 3.85Å; E461-K465 VanDerWaalsContact CD-CE 3.42Å; E461-K465 HydrophobicContact CG-CD 4.31Å; E461-K465 WeakPolarHBondContact O-CB 3.48Å; E461-K465 WeakPolarHBondContact O-CG 3.48Å; E461-K465 PolarHBondContact O-N 3.48Å; E461-K465 WeakPolarHBondContact OE1-CE 3.27Å; E461-K465 IonicContact OE1-NZ 3.18Å; E461-K465 PolarHBondContact OE1-NZ 3.28Å; E461-K465 IonicContact OE2-NZ 3.6Å; E461-K465 PolarHBondContact OE2-NZ 2.92Å; F462-K465 PolarHBondContact O-N 2.85Å; K465-F467 VanDerWaalsContact C-N 3.35Å; K465-K469 WeakPolarHBondContact O-CB 3.45Å; K465-K469 PolarHBondContact O-N 2.9Å |
| 466 | L | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 174.5 | -78.8 | 174.7 | 0 | 0 | 0 | 112.1 | L352 F462 A463 E464 K469 L470 Y483 L486 I487 | L352-L466 HydrophobicContact CD2-CD2 3.79Å; L352-L466 HydrophobicContact CD2-CG 4.02Å; F462-L466 HydrophobicContact CD1-CD1 4.01Å; F462-L466 HydrophobicContact CD2-CD1 4.47Å; F462-L466 HydrophobicContact CE1-CD1 3.49Å; F462-L466 VanDerWaalsContact CE1-CD1 3.49Å; F462-L466 HydrophobicContact CE1-CG 4.46Å; F462-L466 HydrophobicContact CE2-CD1 3.98Å; F462-L466 HydrophobicContact CE2-CG 4.12Å; F462-L466 HydrophobicContact CG-CD1 4.48Å; F462-L466 HydrophobicContact CZ-CD1 3.48Å; F462-L466 VanDerWaalsContact CZ-CD1 3.48Å; F462-L466 HydrophobicContact CZ-CG 4.11Å; F462-L466 WeakPolarHBondContact O-CG 3.46Å; F462-L466 PolarHBondContact O-N 3.45Å; A463-L466 PolarHBondContact O-N 3.44Å; E464-L466 VanDerWaalsContact C-N 3.32Å; E464-L466 PolarHBondContact O-N 2.88Å; L466-K469 PolarHBondContact O-N 3.35Å; L466-L470 WeakPolarHBondContact O-CB 3.39Å; L466-L470 PolarHBondContact O-N 3.26Å; L466-Y483 HydrophobicContact CD2-CD1 4.02Å; L466-Y483 HydrophobicContact CD2-CE1 4Å; L466-L486 HydrophobicContact CD1-CD2 3.74Å; L466-L486 HydrophobicContact CD1-CG 4.12Å; L466-L486 HydrophobicContact CD2-CD2 4.47Å; L466-I487 HydrophobicContact CB-CD1 4.15Å; L466-I487 HydrophobicContact CB-CG1 3.96Å; L466-I487 HydrophobicContact CD1-CG1 4.38Å |
| 467 | F | 94.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 70 Ų | 70 | 2% | 0.022 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.2 | -43 | -180 | -175.8 | -110.5 | 0 | 0 | 0 | 112.3 | A463 E464 K465 K469 L470 Q471 I487 L498 S500 F501 F504 | A463-F467 WeakPolarHBondContact O-CB 3.42Å; A463-F467 PolarHBondContact O-N 3.45Å; E464-F467 PolarHBondContact O-N 3.06Å; K465-F467 VanDerWaalsContact C-N 3.35Å; F467-K469 VanDerWaalsContact C-N 3.31Å; F467-K469 PolarHBondContact O-N 2.93Å; F467-L470 HydrophobicContact CD2-CD2 4.49Å; F467-L470 WeakPolarHBondContact O-CB 3.16Å; F467-L470 PolarHBondContact O-N 2.73Å; F467-L470 VanDerWaalsContact O-N 3.12Å; F467-Q471 HydrophobicContact CD1-CG 4.3Å; F467-Q471 HydrophobicContact CE1-CG 3.93Å; F467-Q471 HydrophobicContact CE2-CG 4.33Å; F467-Q471 HydrophobicContact CZ-CG 3.94Å; F467-Q471 WeakPolarHBondContact O-CG 3.32Å; F467-Q471 PolarHBondContact O-N 3.4Å; F467-I487 HydrophobicContact CB-CD1 4.16Å; F467-I487 HydrophobicContact CD2-CD1 4.3Å; F467-L498 HydrophobicContact CB-CD2 3.99Å; F467-L498 HydrophobicContact CG-CD2 4.13Å; F467-S500 VanDerWaalsContact CE1-OG 3.25Å; F467-S500 WeakPolarHBondContact CE1-OG 3.42Å; F467-S500 VanDerWaalsContact CZ-O 3.31Å; F467-S500 WeakPolarHBondContact CZ-O 3.42Å; F467-F501 AromaticContact CD2-CD2 3.95Å; F467-F501 HydrophobicContact CD2-CD2 3.95Å; F467-F501 HydrophobicContact CE2-CB 4.41Å; F467-F501 AromaticContact CE2-CD2 3.92Å; F467-F501 HydrophobicContact CE2-CD2 3.92Å; F467-F504 HydrophobicContact CE2-CB 3.9Å; F467-F504 AromaticContact CE2-CD1 3.99Å; F467-F504 HydrophobicContact CE2-CD1 3.99Å; F467-F504 HydrophobicContact CE2-CD2 4.49Å; F467-F504 AromaticContact CE2-CG 3.89Å; F467-F504 HydrophobicContact CE2-CG 3.89Å; F467-F504 HydrophobicContact CZ-CB 3.92Å; F467-F504 HydrophobicContact CZ-CG 4.2Å |
| 468 | R | 93.5 | Very high | 91.3 | Very high | 147 Ų | 147 | 71.1 Ų | 71.1 | 56% | 0.555 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.8 | -43 | 173.6 | -69.4 | 178.8 | -158.9 | 178.3 | 9.2 | 111.3 | E464 L470 Q471 N472 | E464-R468 WeakPolarHBondContact O-CG 3.46Å; E464-R468 PolarHBondContact O-N 2.97Å; E464-R468 IonicContact OE2-NH2 2.62Å; E464-R468 PolarHBondContact OE2-NH2 3.39Å; R468-L470 PolarHBondContact O-N 2.82Å; R468-Q471 PolarHBondContact O-N 3.38Å; R468-N472 PolarHBondContact O-N 2.98Å |
| 469 | K | 91.1 | Very high | 91.2 | Very high | 40 Ų | 40 | 67.8 Ų | 67.8 | 17% | 0.174 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 174.1 | -176.2 | 174 | 179.7 | 171.4 | 0 | 111.8 | S351 L352 N353 K465 L466 F467 Q471 N472 S473 Y483 | S351-K469 PolarHBondContact O-NZ 3.02Å; L352-K469 PolarHBondContact O-NZ 3.39Å; N353-K469 PolarHBondContact O-NZ 3.15Å; K465-K469 WeakPolarHBondContact O-CB 3.45Å; K465-K469 PolarHBondContact O-N 2.9Å; L466-K469 PolarHBondContact O-N 3.35Å; F467-K469 VanDerWaalsContact C-N 3.31Å; F467-K469 PolarHBondContact O-N 2.93Å; K469-Q471 VanDerWaalsContact C-N 3.35Å; K469-Q471 PolarHBondContact O-N 3.48Å; K469-N472 PolarHBondContact O-N 3.29Å; K469-S473 VanDerWaalsContact O-CB 3.23Å; K469-S473 WeakPolarHBondContact O-CB 3.32Å; K469-S473 PolarHBondContact O-N 3.38Å; K469-S473 PolarHBondContact O-OG 2.68Å; K469-Y483 VanDerWaalsContact CE-OH 3.31Å; K469-Y483 WeakPolarHBondContact CE-OH 3.49Å; K469-Y483 PolarHBondContact NZ-OH 3.19Å |
| 470 | L | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63 | -37.8 | 177.4 | 177.1 | 60.8 | 0 | 0 | 0 | 112.8 | L466 F467 R468 S473 R480 M484 I487 F504 | L466-L470 WeakPolarHBondContact O-CB 3.39Å; L466-L470 PolarHBondContact O-N 3.26Å; F467-L470 HydrophobicContact CD2-CD2 4.49Å; F467-L470 WeakPolarHBondContact O-CB 3.16Å; F467-L470 PolarHBondContact O-N 2.73Å; F467-L470 VanDerWaalsContact O-N 3.12Å; R468-L470 PolarHBondContact O-N 2.82Å; L470-S473 PolarHBondContact O-OG 3.08Å; L470-R480 HydrophobicContact CD1-CB 3.8Å; L470-R480 HydrophobicContact CD1-CG 4.05Å; L470-M484 HydrophobicContact CD2-CG 3.81Å; L470-I487 HydrophobicContact CD2-CD1 3.9Å; L470-F504 HydrophobicContact CD1-CZ 4.44Å; L470-F504 HydrophobicContact CD2-CD1 4.41Å; L470-F504 HydrophobicContact CD2-CE1 3.61Å; L470-F504 HydrophobicContact CD2-CZ 4.12Å; L470-F504 HydrophobicContact CG-CE1 3.94Å; L470-F504 HydrophobicContact CG-CZ 3.91Å |
| 471 | Q | 90.7 | Very high | 91.1 | Very high | 99 Ų | 99 | 67 Ų | 67 | 46% | 0.463 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 176.1 | -72.8 | -179.7 | -46.8 | 0 | 0 | 111.9 | F467 R468 K469 | F467-Q471 HydrophobicContact CD1-CG 4.3Å; F467-Q471 HydrophobicContact CE1-CG 3.93Å; F467-Q471 HydrophobicContact CE2-CG 4.33Å; F467-Q471 HydrophobicContact CZ-CG 3.94Å; F467-Q471 WeakPolarHBondContact O-CG 3.32Å; F467-Q471 PolarHBondContact O-N 3.4Å; R468-Q471 PolarHBondContact O-N 3.38Å; K469-Q471 VanDerWaalsContact C-N 3.35Å; K469-Q471 PolarHBondContact O-N 3.48Å |
| 472 | N | 88.9 | Confident | 90.9 | Very high | 134 Ų | 134 | 64.9 Ų | 64.9 | 72% | 0.717 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -78.3 | -23.4 | -178.6 | -66.5 | -13.8 | 0 | 0 | 0 | 112.9 | R468 K469 R474 | R468-N472 PolarHBondContact O-N 2.98Å; K469-N472 PolarHBondContact O-N 3.29Å; N472-R474 PolarHBondContact O-N 3.23Å |
| 473 | S | 82.2 | Confident | 90.9 | Very high | 17 Ų | 17 | 64.6 Ų | 64.6 | 12% | 0.119 | 29% | 0.286 | C | S | . | . | trans | -67.4 | 130.1 | -177 | 67.9 | 0 | 0 | 0 | 0 | 112.8 | K469 L470 D475 | K469-S473 VanDerWaalsContact O-CB 3.23Å; K469-S473 WeakPolarHBondContact O-CB 3.32Å; K469-S473 PolarHBondContact O-N 3.38Å; K469-S473 PolarHBondContact O-OG 2.68Å; L470-S473 PolarHBondContact O-OG 3.08Å; S473-D475 VanDerWaalsContact C-N 3.28Å; S473-D475 WeakPolarHBondContact CB-OD2 3.47Å | ||
| 474 | R | 85.2 | Confident | 90.8 | Very high | 248 Ų | 248 | 64.6 Ų | 64.6 | 94% | 0.936 | 29% | 0.286 | S | S | * | . | trans | -96.2 | 26.7 | 166.4 | -64.2 | -175.4 | 179.1 | 175.1 | -0.3 | 111.8 | N472 | N472-R474 PolarHBondContact O-N 3.23Š| ||
| 475 | D | 84.9 | Confident | 90.7 | Very high | 39 Ų | 39 | 62 Ų | 62 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | trans | -70.2 | 161.5 | -173.6 | -71.4 | -37.7 | 0 | 0 | 0 | 112.9 | N356 S473 I479 R480 | N356-D475 PolarHBondContact ND2-OD1 3.09Å; S473-D475 VanDerWaalsContact C-N 3.28Å; S473-D475 WeakPolarHBondContact CB-OD2 3.47Å; D475-I479 HydrophobicContact CB-CB 4.09Å; D475-I479 HydrophobicContact CB-CD1 4.24Å; D475-I479 HydrophobicContact CB-CG2 4.14Å; D475-R480 HydrophobicContact CB-CG 4.41Å; D475-R480 WeakPolarHBondContact O-CD 3.44Å | ||
| 476 | K | 90.2 | Very high | 90.6 | Very high | 164 Ų | 164 | 58.6 Ų | 58.6 | 71% | 0.713 | 26% | 0.261 | S | S | * | . | trans | -51.8 | 142.3 | 171.2 | -64.5 | -174.2 | 179.6 | -174.2 | 0 | 110.4 | E478 I479 R480 | K476-E478 PolarHBondContact O-N 3.11Å; K476-E478 VanDerWaalsContact O-N 3.11Å; K476-I479 HydrophobicContact CB-CD1 4.32Å; K476-I479 HydrophobicContact CB-CG1 4.47Å; K476-I479 WeakPolarHBondContact O-CB 3.35Å; K476-I479 PolarHBondContact O-N 3.03Å; K476-R480 PolarHBondContact O-N 3.22Å | ||
| 477 | Y | 90.3 | Very high | 90.6 | Very high | 53 Ų | 53 | 58.6 Ų | 58.6 | 21% | 0.208 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -53.4 | -36.8 | -176.4 | -178.8 | -108.1 | 0 | 0 | 0 | 113.7 | I479 R480 L481 Y508 Q513 R514 L519 | Y477-I479 VanDerWaalsContact C-N 3.32Å; Y477-I479 PolarHBondContact O-N 3.43Å; Y477-R480 WeakPolarHBondContact O-CB 3.36Å; Y477-R480 PolarHBondContact O-N 3.18Å; Y477-L481 WeakPolarHBondContact O-CB 3.31Å; Y477-L481 PolarHBondContact O-N 2.86Å; Y477-Y508 HydrophobicContact CD2-CE1 4.45Å; Y477-Y508 AromaticContact CE2-CD1 3.89Å; Y477-Y508 HydrophobicContact CE2-CD1 3.89Å; Y477-Y508 AromaticContact CE2-CE1 3.97Å; Y477-Y508 HydrophobicContact CE2-CE1 3.97Å; Y477-Q513 PolarHBondContact OH-NE2 3.05Å; Y477-R514 HydrophobicContact CE1-CB 4.31Å; Y477-R514 PolarHBondContact OH-O 2.69Å; Y477-L519 VanDerWaalsContact OH-CD1 3.28Å; Y477-L519 WeakPolarHBondContact OH-CD1 3.17Å |
| 478 | E | 89.5 | Confident | 90.5 | Very high | 145 Ų | 145 | 58.4 Ų | 58.4 | 68% | 0.678 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.3 | -38.9 | 176 | -65.4 | 171 | -165 | 0 | 0 | 113.4 | K476 L481 L482 | K476-E478 PolarHBondContact O-N 3.11Å; K476-E478 VanDerWaalsContact O-N 3.11Å; E478-L481 WeakPolarHBondContact O-CB 3.3Å; E478-L481 PolarHBondContact O-N 3.1Å; E478-L482 WeakPolarHBondContact O-CG 3.3Å; E478-L482 PolarHBondContact O-N 3.35Å; E478-L482 VanDerWaalsContact O-N 3.15Å |
| 479 | I | 90.9 | Very high | 90.3 | Very high | 24 Ų | 24 | 54.2 Ų | 54.2 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.8 | -42.3 | 178.5 | -59.5 | 173.2 | 0 | 0 | 0 | 109.2 | I360 D475 K476 Y477 L481 L482 Y483 | I360-I479 HydrophobicContact CD1-CD1 3.82Å; I360-I479 HydrophobicContact CD1-CG1 3.76Å; I360-I479 HydrophobicContact CD1-CG2 4.25Å; I360-I479 HydrophobicContact CG1-CG1 4.47Å; I360-I479 HydrophobicContact CG1-CG2 4.19Å; D475-I479 HydrophobicContact CB-CB 4.09Å; D475-I479 HydrophobicContact CB-CD1 4.24Å; D475-I479 HydrophobicContact CB-CG2 4.14Å; K476-I479 HydrophobicContact CB-CD1 4.32Å; K476-I479 HydrophobicContact CB-CG1 4.47Å; K476-I479 WeakPolarHBondContact O-CB 3.35Å; K476-I479 PolarHBondContact O-N 3.03Å; Y477-I479 VanDerWaalsContact C-N 3.32Å; Y477-I479 PolarHBondContact O-N 3.43Å; I479-L481 VanDerWaalsContact C-N 3.28Å; I479-L481 PolarHBondContact O-N 3.3Å; I479-L482 WeakPolarHBondContact O-CB 3.46Å; I479-L482 PolarHBondContact O-N 3.08Å; I479-L482 VanDerWaalsContact O-N 3.15Å; I479-Y483 HydrophobicContact CG2-CD2 3.93Å; I479-Y483 HydrophobicContact CG2-CE2 3.61Å; I479-Y483 VanDerWaalsContact O-CD2 3.3Å; I479-Y483 WeakPolarHBondContact O-CD2 3.22Å; I479-Y483 PolarHBondContact O-N 2.88Å; I479-Y483 VanDerWaalsContact O-N 3.1Å |
| 480 | R | 91.6 | Very high | 90.3 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 18% | 0.181 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -40.7 | 175.9 | -59.3 | -177.3 | 72.7 | 165.3 | 9.6 | 111.3 | L470 D475 K476 Y477 L482 Y483 M484 Y508 | L470-R480 HydrophobicContact CD1-CB 3.8Å; L470-R480 HydrophobicContact CD1-CG 4.05Å; D475-R480 HydrophobicContact CB-CG 4.41Å; D475-R480 WeakPolarHBondContact O-CD 3.44Å; K476-R480 PolarHBondContact O-N 3.22Å; Y477-R480 WeakPolarHBondContact O-CB 3.36Å; Y477-R480 PolarHBondContact O-N 3.18Å; R480-L482 VanDerWaalsContact C-N 3.33Å; R480-L482 PolarHBondContact O-N 2.86Å; R480-Y483 PolarHBondContact O-N 3.32Å; R480-M484 HydrophobicContact CB-CE 4.46Å; R480-M484 VanDerWaalsContact O-CG 3.28Å; R480-M484 WeakPolarHBondContact O-CG 3.15Å; R480-M484 PolarHBondContact O-N 3.5Å; R480-Y508 PolarHBondContact NH1-OH 3.39Å; R480-Y508 PolarHBondContact NH2-OH 2.94Å; R480-Y508 VanDerWaalsContact NH2-OH 3.07Å |
| 481 | L | 91.9 | Very high | 90.4 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.2 | -39.7 | 175.8 | -167 | 74.5 | 0 | 0 | 0 | 112 | Y477 E478 I479 M484 A485 D515 K518 L519 F522 | Y477-L481 WeakPolarHBondContact O-CB 3.31Å; Y477-L481 PolarHBondContact O-N 2.86Å; E478-L481 WeakPolarHBondContact O-CB 3.3Å; E478-L481 PolarHBondContact O-N 3.1Å; I479-L481 VanDerWaalsContact C-N 3.28Å; I479-L481 PolarHBondContact O-N 3.3Å; L481-M484 PolarHBondContact O-N 3.23Å; L481-A485 WeakPolarHBondContact O-CB 3.23Å; L481-A485 PolarHBondContact O-N 3.1Å; L481-D515 HydrophobicContact CD2-CB 4.17Å; L481-K518 HydrophobicContact CD2-CD 3.96Å; L481-L519 HydrophobicContact CD1-CD2 3.81Å; L481-L519 HydrophobicContact CD1-CG 4.11Å; L481-F522 HydrophobicContact CD1-CE2 3.65Å; L481-F522 HydrophobicContact CD1-CZ 4.42Å; L481-F522 HydrophobicContact CG-CE2 4Å; L481-F522 HydrophobicContact CG-CZ 4.41Å |
| 482 | L | 91.2 | Very high | 90.3 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 22% | 0.22 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.1 | -69.7 | 172.8 | 0 | 0 | 0 | 112.3 | I360 V363 R364 L367 E478 I479 R480 A485 L486 | I360-L482 HydrophobicContact CG2-CD1 4.01Å; V363-L482 HydrophobicContact CG1-CB 3.95Å; R364-L482 HydrophobicContact CG-CD1 4.48Å; L367-L482 HydrophobicContact CD1-CD2 3.87Å; E478-L482 WeakPolarHBondContact O-CG 3.3Å; E478-L482 PolarHBondContact O-N 3.35Å; E478-L482 VanDerWaalsContact O-N 3.15Å; I479-L482 WeakPolarHBondContact O-CB 3.46Å; I479-L482 PolarHBondContact O-N 3.08Å; I479-L482 VanDerWaalsContact O-N 3.15Å; R480-L482 VanDerWaalsContact C-N 3.33Å; R480-L482 PolarHBondContact O-N 2.86Å; L482-A485 WeakPolarHBondContact O-CB 2.85Å; L482-A485 PolarHBondContact O-N 3.29Å; L482-L486 PolarHBondContact O-N 3.04Å |
| 483 | Y | 93.2 | Very high | 90.2 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.9 | -44.6 | 175.3 | -77.8 | -61.5 | 0 | 0 | 0 | 112.1 | S351 A359 V363 L466 K469 I479 R480 A485 L486 I487 | S351-Y483 PolarHBondContact O-OH 3.35Å; A359-Y483 VanDerWaalsContact CB-OH 3.26Å; A359-Y483 WeakPolarHBondContact CB-OH 3.47Å; V363-Y483 HydrophobicContact CG2-CD1 4.1Å; V363-Y483 HydrophobicContact CG2-CE1 3.79Å; L466-Y483 HydrophobicContact CD2-CD1 4.02Å; L466-Y483 HydrophobicContact CD2-CE1 4Å; K469-Y483 VanDerWaalsContact CE-OH 3.31Å; K469-Y483 WeakPolarHBondContact CE-OH 3.49Å; K469-Y483 PolarHBondContact NZ-OH 3.19Å; I479-Y483 HydrophobicContact CG2-CD2 3.93Å; I479-Y483 HydrophobicContact CG2-CE2 3.61Å; I479-Y483 VanDerWaalsContact O-CD2 3.3Å; I479-Y483 WeakPolarHBondContact O-CD2 3.22Å; I479-Y483 PolarHBondContact O-N 2.88Å; I479-Y483 VanDerWaalsContact O-N 3.1Å; R480-Y483 PolarHBondContact O-N 3.32Å; Y483-A485 VanDerWaalsContact C-N 3.28Å; Y483-A485 PolarHBondContact O-N 3.44Å; Y483-L486 PolarHBondContact O-N 2.9Å; Y483-I487 VanDerWaalsContact O-CG1 3.3Å; Y483-I487 WeakPolarHBondContact O-CG1 3.35Å; Y483-I487 PolarHBondContact O-N 3.22Å |
| 484 | M | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.7 | -42.7 | 174.7 | -67.9 | 166.8 | -175.9 | 0 | 0 | 111.4 | L470 R480 L481 L486 I487 S488 F504 L505 Y508 L519 F522 | L470-M484 HydrophobicContact CD2-CG 3.81Å; R480-M484 HydrophobicContact CB-CE 4.46Å; R480-M484 VanDerWaalsContact O-CG 3.28Å; R480-M484 WeakPolarHBondContact O-CG 3.15Å; R480-M484 PolarHBondContact O-N 3.5Å; L481-M484 PolarHBondContact O-N 3.23Å; M484-L486 VanDerWaalsContact C-N 3.34Å; M484-L486 PolarHBondContact O-N 3.02Å; M484-I487 PolarHBondContact O-N 3.13Å; M484-S488 WeakPolarHBondContact O-CB 3.42Å; M484-S488 PolarHBondContact O-N 2.97Å; M484-S488 PolarHBondContact O-OG 3.42Å; M484-F504 HydrophobicContact CE-CD1 4.28Å; M484-F504 HydrophobicContact CE-CE1 3.37Å; M484-F504 HydrophobicContact CE-CZ 3.97Å; M484-F504 HydrophobicContact CG-CE1 4.38Å; M484-L505 HydrophobicContact SD-CD2 4.48Å; M484-Y508 HydrophobicContact CE-CD2 3.73Å; M484-Y508 HydrophobicContact CE-CE2 3.4Å; M484-Y508 HydrophobicContact CE-CG 4.45Å; M484-L519 HydrophobicContact SD-CD2 3.51Å; M484-L519 VanDerWaalsContact SD-CD2 3.51Å; M484-F522 HydrophobicContact CB-CD2 3.85Å; M484-F522 HydrophobicContact CB-CE2 4.17Å |
| 485 | A | 91.9 | Very high | 90.8 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 7% | 0.066 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L367 L481 L482 Y483 S488 R489 F522 | L367-A485 HydrophobicContact CD1-CB 3.97Å; L367-A485 HydrophobicContact CD2-CB 3.9Å; L481-A485 WeakPolarHBondContact O-CB 3.23Å; L481-A485 PolarHBondContact O-N 3.1Å; L482-A485 WeakPolarHBondContact O-CB 2.85Å; L482-A485 PolarHBondContact O-N 3.29Å; Y483-A485 VanDerWaalsContact C-N 3.28Å; Y483-A485 PolarHBondContact O-N 3.44Å; A485-S488 PolarHBondContact O-OG 3.47Å; A485-R489 WeakPolarHBondContact O-CG 3.49Å; A485-R489 PolarHBondContact O-N 3Å; A485-F522 HydrophobicContact CB-CD1 4.15Å; A485-F522 HydrophobicContact CB-CE1 3.44Å; A485-F522 VanDerWaalsContact CB-CE1 3.44Å; A485-F522 HydrophobicContact CB-CE2 3.98Å; A485-F522 HydrophobicContact CB-CZ 3.35Å |
| 486 | L | 92.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.3 | -49.6 | 178.8 | 179.2 | 59.9 | 0 | 0 | 0 | 110.4 | V363 L366 L367 F462 L466 L482 Y483 M484 S488 R489 V490 | V363-L486 HydrophobicContact CB-CD2 4.39Å; V363-L486 HydrophobicContact CG1-CB 4.16Å; V363-L486 HydrophobicContact CG1-CD2 4.22Å; V363-L486 HydrophobicContact CG2-CD2 3.9Å; L366-L486 HydrophobicContact CB-CD1 3.57Å; L366-L486 HydrophobicContact CD1-CD1 3.92Å; L366-L486 HydrophobicContact CD1-CD2 3.85Å; L366-L486 HydrophobicContact CG-CD1 4.38Å; L367-L486 HydrophobicContact CD2-CB 4.35Å; F462-L486 HydrophobicContact CZ-CD2 4.45Å; L466-L486 HydrophobicContact CD1-CD2 3.74Å; L466-L486 HydrophobicContact CD1-CG 4.12Å; L466-L486 HydrophobicContact CD2-CD2 4.47Å; L482-L486 PolarHBondContact O-N 3.04Å; Y483-L486 PolarHBondContact O-N 2.9Å; M484-L486 VanDerWaalsContact C-N 3.34Å; M484-L486 PolarHBondContact O-N 3.02Å; L486-S488 VanDerWaalsContact C-N 3.31Å; L486-S488 PolarHBondContact O-N 3.41Å; L486-R489 PolarHBondContact O-N 3.29Å; L486-R489 VanDerWaalsContact O-N 3.09Å; L486-V490 HydrophobicContact CD1-CG2 4.05Å; L486-V490 HydrophobicContact CG-CG2 4.29Å; L486-V490 VanDerWaalsContact O-CG2 3.31Å; L486-V490 WeakPolarHBondContact O-CG2 3.44Å; L486-V490 PolarHBondContact O-N 2.91Å |
| 487 | I | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56 | -47.2 | 178.8 | -66.5 | 165.6 | 0 | 0 | 0 | 110.1 | L466 F467 L470 Y483 M484 R489 V490 I491 L498 F501 | L466-I487 HydrophobicContact CB-CD1 4.15Å; L466-I487 HydrophobicContact CB-CG1 3.96Å; L466-I487 HydrophobicContact CD1-CG1 4.38Å; F467-I487 HydrophobicContact CB-CD1 4.16Å; F467-I487 HydrophobicContact CD2-CD1 4.3Å; L470-I487 HydrophobicContact CD2-CD1 3.9Å; Y483-I487 VanDerWaalsContact O-CG1 3.3Å; Y483-I487 WeakPolarHBondContact O-CG1 3.35Å; Y483-I487 PolarHBondContact O-N 3.22Å; M484-I487 PolarHBondContact O-N 3.13Å; I487-R489 VanDerWaalsContact C-N 3.29Å; I487-R489 PolarHBondContact O-N 2.72Å; I487-V490 PolarHBondContact O-N 3.28Å; I487-I491 HydrophobicContact CG2-CD1 3.74Å; I487-I491 HydrophobicContact CG2-CG1 4.4Å; I487-I491 VanDerWaalsContact O-CG1 3.28Å; I487-I491 WeakPolarHBondContact O-CG1 3.26Å; I487-I491 PolarHBondContact O-N 3.11Å; I487-L498 HydrophobicContact CG2-CD2 3.94Å; I487-F501 HydrophobicContact CB-CE2 4.13Å; I487-F501 HydrophobicContact CB-CZ 4.4Å; I487-F501 HydrophobicContact CG2-CD2 3.82Å; I487-F501 HydrophobicContact CG2-CE1 4.48Å; I487-F501 HydrophobicContact CG2-CE2 3.75Å; I487-F501 HydrophobicContact CG2-CG 4.23Å; I487-F501 HydrophobicContact CG2-CZ 4.1Å |
| 488 | S | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.3 | -34.5 | 179.4 | 65.6 | 0 | 0 | 0 | 0 | 113.2 | M484 A485 L486 M492 F522 | M484-S488 WeakPolarHBondContact O-CB 3.42Å; M484-S488 PolarHBondContact O-N 2.97Å; M484-S488 PolarHBondContact O-OG 3.42Å; A485-S488 PolarHBondContact O-OG 3.47Å; L486-S488 VanDerWaalsContact C-N 3.31Å; L486-S488 PolarHBondContact O-N 3.41Å; S488-M492 WeakPolarHBondContact O-CB 3.48Å; S488-M492 PolarHBondContact O-N 3.2Å; S488-F522 WeakPolarHBondContact CB-O 3.18Å |
| 489 | R | 88.3 | Confident | 91.5 | Very high | 59 Ų | 59 | 28.7 Ų | 28.7 | 22% | 0.223 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -74.1 | -38.9 | 176.3 | -75.1 | -170.9 | -172 | -174.9 | 7.9 | 112.9 | L367 I453 A485 L486 I487 I491 M492 V493 | L367-R489 VanDerWaalsContact CA-NH1 3.32Å; L367-R489 PolarHBondContact O-NH1 3.27Å; L367-R489 PolarHBondContact O-NH2 3.13Å; I453-R489 HydrophobicContact CD1-CB 4.13Å; A485-R489 WeakPolarHBondContact O-CG 3.49Å; A485-R489 PolarHBondContact O-N 3Å; L486-R489 PolarHBondContact O-N 3.29Å; L486-R489 VanDerWaalsContact O-N 3.09Å; I487-R489 VanDerWaalsContact C-N 3.29Å; I487-R489 PolarHBondContact O-N 2.72Å; R489-I491 VanDerWaalsContact C-N 3.32Å; R489-M492 WeakPolarHBondContact O-CB 3.34Å; R489-M492 PolarHBondContact O-N 3.35Å; R489-V493 WeakPolarHBondContact O-CG2 3.46Å; R489-V493 PolarHBondContact O-N 3.31Å |
| 490 | V | 92.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 176.3 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | I453 P459 F462 A463 L486 I487 M492 V493 H494 L496 | I453-V490 HydrophobicContact CG2-CG2 4.07Å; P459-V490 HydrophobicContact CB-CG1 4.3Å; F462-V490 HydrophobicContact CD1-CG1 4.5Å; F462-V490 HydrophobicContact CD1-CG2 4.47Å; F462-V490 HydrophobicContact CE1-CG2 4.23Å; A463-V490 HydrophobicContact CB-CG1 4.32Å; L486-V490 HydrophobicContact CD1-CG2 4.05Å; L486-V490 HydrophobicContact CG-CG2 4.29Å; L486-V490 VanDerWaalsContact O-CG2 3.31Å; L486-V490 WeakPolarHBondContact O-CG2 3.44Å; L486-V490 PolarHBondContact O-N 2.91Å; I487-V490 PolarHBondContact O-N 3.28Å; V490-M492 PolarHBondContact O-N 2.72Å; V490-V493 PolarHBondContact O-N 3.27Å; V490-H494 PolarHBondContact O-N 2.9Å; V490-H494 VanDerWaalsContact O-N 3.13Å; V490-L496 HydrophobicContact CG1-CD1 3.67Å |
| 491 | I | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 172.4 | -66.6 | 166.1 | 0 | 0 | 0 | 110.9 | I487 R489 V493 H495 L496 L498 F501 A526 | I487-I491 HydrophobicContact CG2-CD1 3.74Å; I487-I491 HydrophobicContact CG2-CG1 4.4Å; I487-I491 VanDerWaalsContact O-CG1 3.28Å; I487-I491 WeakPolarHBondContact O-CG1 3.26Å; I487-I491 PolarHBondContact O-N 3.11Å; R489-I491 VanDerWaalsContact C-N 3.32Å; I491-V493 PolarHBondContact O-N 3.45Å; I491-H495 WeakPolarHBondContact O-CA 3.48Å; I491-H495 PolarHBondContact O-N 3.28Å; I491-L496 HydrophobicContact CG1-CB 4.25Å; I491-L496 PolarHBondContact O-N 2.9Å; I491-L498 HydrophobicContact CD1-CB 4.23Å; I491-L498 HydrophobicContact CD1-CD2 4.41Å; I491-F501 HydrophobicContact CD1-CD1 3.85Å; I491-F501 HydrophobicContact CD1-CE1 4.25Å; I491-F501 HydrophobicContact CD1-CG 4.31Å; I491-A526 HydrophobicContact CD1-CB 4.2Å; I491-A526 HydrophobicContact CG2-CB 4.21Å; I491-A526 WeakPolarHBondContact CG2-O 3.46Å |
| 492 | M | 88.5 | Confident | 91.8 | Very high | 26 Ų | 26 | 27.4 Ų | 27.4 | 13% | 0.128 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -42.5 | -178.5 | -172.1 | -171.8 | 70.1 | 0 | 0 | 113.3 | M450 S488 R489 V490 H525 V766 | M450-M492 HydrophobicContact CE-CE 3.88Å; M450-M492 HydrophobicContact SD-CE 4.34Å; S488-M492 WeakPolarHBondContact O-CB 3.48Å; S488-M492 PolarHBondContact O-N 3.2Å; R489-M492 WeakPolarHBondContact O-CB 3.34Å; R489-M492 PolarHBondContact O-N 3.35Å; V490-M492 PolarHBondContact O-N 2.72Å; M492-H525 HydrophobicContact CB-CB 4.31Å; M492-H525 VanDerWaalsContact CB-O 3.23Å; M492-H525 WeakPolarHBondContact CB-O 3.35Å; M492-H525 HydrophobicContact SD-CB 4.16Å; M492-V766 HydrophobicContact CE-CB 4.4Å; M492-V766 HydrophobicContact CE-CG1 3.83Å; M492-V766 HydrophobicContact CE-CG2 3.65Å; M492-V766 HydrophobicContact SD-CB 4.15Å; M492-V766 HydrophobicContact SD-CG1 3.44Å; M492-V766 WeakPolarHBondContact SD-CG1 3.47Å; M492-V766 HydrophobicContact SD-CG2 3.74Å |
| 493 | V | 87.9 | Confident | 91.9 | Very high | 36 Ų | 36 | 28.3 Ų | 28.3 | 22% | 0.218 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -76.1 | -44.1 | -174.3 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | M450 I453 E454 R489 V490 I491 | M450-V493 HydrophobicContact SD-CG2 3.76Å; I453-V493 HydrophobicContact CG2-CB 4.05Å; I453-V493 HydrophobicContact CG2-CG1 4.16Å; I453-V493 HydrophobicContact CG2-CG2 4.19Å; E454-V493 HydrophobicContact CG-CG1 3.7Å; R489-V493 WeakPolarHBondContact O-CG2 3.46Å; R489-V493 PolarHBondContact O-N 3.31Å; V490-V493 PolarHBondContact O-N 3.27Å; I491-V493 PolarHBondContact O-N 3.45Å |
| 494 | H | 89.5 | Confident | 92 | Very high | 57 Ų | 57 | 29 Ų | 29 | 26% | 0.264 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -98.9 | 1.6 | -175 | -69.6 | -74.8 | 0 | 0 | 0 | 114 | I453 P459 V490 L496 | I453-H494 PolarHBondContact O-NE2 2.91Å; P459-H494 HydrophobicContact CB-CB 4.15Å; P459-H494 VanDerWaalsContact CB-CD2 3.44Å; P459-H494 WeakPolarHBondContact CB-CD2 3.44Å; P459-H494 HydrophobicContact CG-CB 4.05Å; V490-H494 PolarHBondContact O-N 2.9Å; V490-H494 VanDerWaalsContact O-N 3.13Å; H494-L496 HydrophobicContact CB-CD1 4.49Å; H494-L496 HydrophobicContact CB-CD2 3.64Å; H494-L496 HydrophobicContact CB-CG 3.82Å; H494-L496 PolarHBondContact O-N 3.41Å |
| 495 | H | 89.4 | Confident | 91.9 | Very high | 103 Ų | 103 | 29 Ų | 29 | 48% | 0.477 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 49 | -176 | -60.5 | -62.3 | 0 | 0 | 0 | 113.5 | I491 H528 L530 | I491-H495 WeakPolarHBondContact O-CA 3.48Å; I491-H495 PolarHBondContact O-N 3.28Å; H495-H528 AromaticContact ND1-CG 3.77Å; H495-H528 PolarHBondContact O-CE1 3.29Å; H495-L530 HydrophobicContact CB-CD1 4.07Å |
| 496 | L | 92.7 | Very high | 92 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 7% | 0.068 | 16% | 0.16 | C | C | . | . | trans | -78.4 | 146.6 | -174.1 | -57.5 | -178.2 | 0 | 0 | 0 | 113.7 | P459 Q460 A463 V490 I491 H494 H528 | P459-L496 HydrophobicContact CB-CD1 4.26Å; P459-L496 HydrophobicContact CB-CD2 4.29Å; P459-L496 HydrophobicContact CG-CD2 4.16Å; P459-L496 VanDerWaalsContact O-CD1 3.32Å; P459-L496 WeakPolarHBondContact O-CD1 3.42Å; Q460-L496 HydrophobicContact CB-CD2 4.27Å; A463-L496 HydrophobicContact CB-CD1 3.76Å; V490-L496 HydrophobicContact CG1-CD1 3.67Å; I491-L496 HydrophobicContact CG1-CB 4.25Å; I491-L496 PolarHBondContact O-N 2.9Å; H494-L496 HydrophobicContact CB-CD1 4.49Å; H494-L496 HydrophobicContact CB-CD2 3.64Å; H494-L496 HydrophobicContact CB-CG 3.82Å; H494-L496 PolarHBondContact O-N 3.41Å; L496-H528 PolarHBondContact O-NE2 3.36Å | ||
| 497 | I | 92.1 | Very high | 91.9 | Very high | 82 Ų | 82 | 40.3 Ų | 40.3 | 42% | 0.421 | 20% | 0.196 | S | C | . | . | trans | -98.6 | 99 | 176.5 | -56.6 | 175 | 0 | 0 | 0 | 109 | Q460 L499 | Q460-I497 PolarHBondContact NE2-O 3.21Å; I497-L499 HydrophobicContact CG2-CD2 3.77Å; I497-L499 HydrophobicContact CG2-CG 3.94Å | ||
| 498 | L | 92.5 | Very high | 91.9 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | trans | -124.4 | 78.8 | 174.4 | -171.4 | 66.8 | 0 | 0 | 0 | 110.7 | E464 F467 I487 I491 S500 F501 | E464-L498 HydrophobicContact CG-CD1 3.84Å; F467-L498 HydrophobicContact CB-CD2 3.99Å; F467-L498 HydrophobicContact CG-CD2 4.13Å; I487-L498 HydrophobicContact CG2-CD2 3.94Å; I491-L498 HydrophobicContact CD1-CB 4.23Å; I491-L498 HydrophobicContact CD1-CD2 4.41Å; L498-S500 VanDerWaalsContact C-N 3.27Å; L498-S500 PolarHBondContact O-N 3.37Å; L498-F501 HydrophobicContact CB-CB 4.49Å; L498-F501 HydrophobicContact CD2-CB 4Å; L498-F501 HydrophobicContact CG-CB 4.07Å; L498-F501 VanDerWaalsContact O-CB 3.31Å; L498-F501 WeakPolarHBondContact O-CB 3.29Å; L498-F501 PolarHBondContact O-N 3.49Å; L498-F501 VanDerWaalsContact O-N 3.15Å | ||
| 499 | L | 92.5 | Very high | 91.9 | Very high | 75 Ų | 75 | 41.9 Ų | 41.9 | 39% | 0.393 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -29.8 | -170.9 | -56.1 | -177.9 | 0 | 0 | 0 | 113.6 | I497 F501 Y502 P503 P532 V535 | I497-L499 HydrophobicContact CG2-CD2 3.77Å; I497-L499 HydrophobicContact CG2-CG 3.94Å; L499-F501 PolarHBondContact O-N 3.13Å; L499-Y502 PolarHBondContact O-N 3.29Å; L499-P503 WeakPolarHBondContact O-CD 3.48Å; L499-P532 HydrophobicContact CD2-CG 4.23Å; L499-V535 HydrophobicContact CD2-CG2 4.39Å |
| 500 | S | 93.2 | Very high | 92 | Very high | 59 Ų | 59 | 41.6 Ų | 41.6 | 41% | 0.413 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -17.3 | 179.1 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | F467 L498 | F467-S500 VanDerWaalsContact CE1-OG 3.25Å; F467-S500 WeakPolarHBondContact CE1-OG 3.42Å; F467-S500 VanDerWaalsContact CZ-O 3.31Å; F467-S500 WeakPolarHBondContact CZ-O 3.42Å; L498-S500 VanDerWaalsContact C-N 3.27Å; L498-S500 PolarHBondContact O-N 3.37Å |
| 501 | F | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.5 | -35.6 | 178.2 | -175.1 | -116.2 | 0 | 0 | 0 | 112.7 | F467 I487 I491 L498 L499 F504 L505 A526 | F467-F501 AromaticContact CD2-CD2 3.95Å; F467-F501 HydrophobicContact CD2-CD2 3.95Å; F467-F501 HydrophobicContact CE2-CB 4.41Å; F467-F501 AromaticContact CE2-CD2 3.92Å; F467-F501 HydrophobicContact CE2-CD2 3.92Å; I487-F501 HydrophobicContact CB-CE2 4.13Å; I487-F501 HydrophobicContact CB-CZ 4.4Å; I487-F501 HydrophobicContact CG2-CD2 3.82Å; I487-F501 HydrophobicContact CG2-CE1 4.48Å; I487-F501 HydrophobicContact CG2-CE2 3.75Å; I487-F501 HydrophobicContact CG2-CG 4.23Å; I487-F501 HydrophobicContact CG2-CZ 4.1Å; I491-F501 HydrophobicContact CD1-CD1 3.85Å; I491-F501 HydrophobicContact CD1-CE1 4.25Å; I491-F501 HydrophobicContact CD1-CG 4.31Å; L498-F501 HydrophobicContact CB-CB 4.49Å; L498-F501 HydrophobicContact CD2-CB 4Å; L498-F501 HydrophobicContact CG-CB 4.07Å; L498-F501 VanDerWaalsContact O-CB 3.31Å; L498-F501 WeakPolarHBondContact O-CB 3.29Å; L498-F501 PolarHBondContact O-N 3.49Å; L498-F501 VanDerWaalsContact O-N 3.15Å; L499-F501 PolarHBondContact O-N 3.13Å; F501-F504 WeakPolarHBondContact O-CB 3.5Å; F501-F504 PolarHBondContact O-N 3.14Å; F501-L505 HydrophobicContact CD1-CD1 3.86Å; F501-L505 HydrophobicContact CD1-CG 4.28Å; F501-L505 HydrophobicContact CE1-CD1 3.39Å; F501-L505 HydrophobicContact CE1-CD2 4.37Å; F501-L505 HydrophobicContact CE1-CG 3.92Å; F501-L505 HydrophobicContact CE2-CD2 4.3Å; F501-L505 HydrophobicContact CE2-CG 4.29Å; F501-L505 HydrophobicContact CZ-CD1 3.82Å; F501-L505 HydrophobicContact CZ-CD2 3.93Å; F501-L505 HydrophobicContact CZ-CG 3.93Å; F501-L505 PolarHBondContact O-N 3.23Å; F501-A526 HydrophobicContact CD1-CB 4Å; F501-A526 HydrophobicContact CE1-CB 3.84Å |
| 502 | Y | 93.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.9 | -49.3 | -176.6 | -54.6 | -86.9 | 0 | 0 | 0 | 113.2 | L499 F504 L505 Q506 A526 V531 V535 L539 | L499-Y502 PolarHBondContact O-N 3.29Å; Y502-F504 PolarHBondContact O-N 3.07Å; Y502-L505 PolarHBondContact O-N 3.3Å; Y502-L505 VanDerWaalsContact O-N 3.14Å; Y502-Q506 WeakPolarHBondContact O-CG 3.28Å; Y502-Q506 PolarHBondContact O-N 3.21Å; Y502-A526 HydrophobicContact CE1-CB 4.05Å; Y502-A526 PolarHBondContact OH-O 3.27Å; Y502-V531 HydrophobicContact CE2-CG1 3.91Å; Y502-V531 VanDerWaalsContact OH-CG2 3.24Å; Y502-V531 WeakPolarHBondContact OH-CG2 3.38Å; Y502-V535 HydrophobicContact CD1-CG1 4.49Å; Y502-V535 HydrophobicContact CD2-CG1 3.47Å; Y502-V535 VanDerWaalsContact CD2-CG1 3.47Å; Y502-V535 HydrophobicContact CE2-CG1 4.24Å; Y502-V535 HydrophobicContact CG-CG1 3.63Å; Y502-L539 HydrophobicContact CD1-CD2 4.09Å |
| 503 | P | 93.3 | Very high | 91.9 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 40% | 0.403 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.3 | -31.5 | 173.4 | -23.3 | 34.5 | 0 | 0 | 0 | 112.6 | L499 | L499-P503 WeakPolarHBondContact O-CD 3.48Å |
| 504 | F | 93.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 7% | 0.066 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68 | -41.5 | 175.9 | -177.2 | -98.2 | 0 | 0 | 0 | 112 | F467 L470 M484 F501 Y502 Y508 | F467-F504 HydrophobicContact CE2-CB 3.9Å; F467-F504 AromaticContact CE2-CD1 3.99Å; F467-F504 HydrophobicContact CE2-CD1 3.99Å; F467-F504 HydrophobicContact CE2-CD2 4.49Å; F467-F504 AromaticContact CE2-CG 3.89Å; F467-F504 HydrophobicContact CE2-CG 3.89Å; F467-F504 HydrophobicContact CZ-CB 3.92Å; F467-F504 HydrophobicContact CZ-CG 4.2Å; L470-F504 HydrophobicContact CD1-CZ 4.44Å; L470-F504 HydrophobicContact CD2-CD1 4.41Å; L470-F504 HydrophobicContact CD2-CE1 3.61Å; L470-F504 HydrophobicContact CD2-CZ 4.12Å; L470-F504 HydrophobicContact CG-CE1 3.94Å; L470-F504 HydrophobicContact CG-CZ 3.91Å; M484-F504 HydrophobicContact CE-CD1 4.28Å; M484-F504 HydrophobicContact CE-CE1 3.37Å; M484-F504 HydrophobicContact CE-CZ 3.97Å; M484-F504 HydrophobicContact CG-CE1 4.38Å; F501-F504 WeakPolarHBondContact O-CB 3.5Å; F501-F504 PolarHBondContact O-N 3.14Å; Y502-F504 PolarHBondContact O-N 3.07Å; F504-Y508 HydrophobicContact CD1-CE2 4.32Å; F504-Y508 AromaticContact CE1-CE2 3.87Å; F504-Y508 HydrophobicContact CE1-CE2 3.87Å; F504-Y508 HydrophobicContact CE2-CE2 4.28Å; F504-Y508 AromaticContact CZ-CE2 3.84Å; F504-Y508 HydrophobicContact CZ-CE2 3.84Å; F504-Y508 WeakPolarHBondContact O-CD2 3.44Å |
| 505 | L | 93.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64 | -42 | 173.5 | -74.6 | -179.3 | 0 | 0 | 0 | 112.2 | M484 F501 Y502 R507 Y508 L509 L519 A523 | M484-L505 HydrophobicContact SD-CD2 4.48Å; F501-L505 HydrophobicContact CD1-CD1 3.86Å; F501-L505 HydrophobicContact CD1-CG 4.28Å; F501-L505 HydrophobicContact CE1-CD1 3.39Å; F501-L505 HydrophobicContact CE1-CD2 4.37Å; F501-L505 HydrophobicContact CE1-CG 3.92Å; F501-L505 HydrophobicContact CE2-CD2 4.3Å; F501-L505 HydrophobicContact CE2-CG 4.29Å; F501-L505 HydrophobicContact CZ-CD1 3.82Å; F501-L505 HydrophobicContact CZ-CD2 3.93Å; F501-L505 HydrophobicContact CZ-CG 3.93Å; F501-L505 PolarHBondContact O-N 3.23Å; Y502-L505 PolarHBondContact O-N 3.3Å; Y502-L505 VanDerWaalsContact O-N 3.14Å; L505-R507 PolarHBondContact O-N 2.95Å; L505-R507 VanDerWaalsContact O-N 3.09Å; L505-Y508 PolarHBondContact O-N 3.18Å; L505-L509 WeakPolarHBondContact O-CG 3.34Å; L505-L509 PolarHBondContact O-N 2.95Å; L505-L519 HydrophobicContact CD2-CD2 4.35Å; L505-A523 HydrophobicContact CD1-CB 4.24Å |
| 506 | Q | 93 | Very high | 92 | Very high | 48 Ų | 48 | 57.5 Ų | 57.5 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -51.3 | -36.6 | -178.8 | -73.5 | 168.9 | 7.7 | 0 | 0 | 112.9 | Y502 Y508 L509 L539 V542 | Y502-Q506 WeakPolarHBondContact O-CG 3.28Å; Y502-Q506 PolarHBondContact O-N 3.21Å; Q506-Y508 PolarHBondContact O-N 3.19Å; Q506-L509 PolarHBondContact O-N 2.72Å; Q506-L539 HydrophobicContact CG-CD1 3.71Å; Q506-V542 HydrophobicContact CB-CG1 4.46Å; Q506-V542 HydrophobicContact CG-CB 4.45Å; Q506-V542 HydrophobicContact CG-CG2 4.17Å |
| 507 | R | 91.3 | Very high | 91.9 | Very high | 197 Ų | 197 | 58.2 Ų | 58.2 | 74% | 0.743 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27.6 | 177.8 | -63.5 | 179.2 | -175.9 | -174 | -0.1 | 113.9 | L505 | L505-R507 PolarHBondContact O-N 2.95Å; L505-R507 VanDerWaalsContact O-N 3.09Å |
| 508 | Y | 91.9 | Very high | 91.9 | Very high | 34 Ų | 34 | 57.5 Ų | 57.5 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -4.3 | -178.5 | -59.7 | -79.9 | 0 | 0 | 0 | 113.6 | Y477 R480 M484 F504 L505 Q506 T510 L519 | Y477-Y508 HydrophobicContact CD2-CE1 4.45Å; Y477-Y508 AromaticContact CE2-CD1 3.89Å; Y477-Y508 HydrophobicContact CE2-CD1 3.89Å; Y477-Y508 AromaticContact CE2-CE1 3.97Å; Y477-Y508 HydrophobicContact CE2-CE1 3.97Å; R480-Y508 PolarHBondContact NH1-OH 3.39Å; R480-Y508 PolarHBondContact NH2-OH 2.94Å; R480-Y508 VanDerWaalsContact NH2-OH 3.07Å; M484-Y508 HydrophobicContact CE-CD2 3.73Å; M484-Y508 HydrophobicContact CE-CE2 3.4Å; M484-Y508 HydrophobicContact CE-CG 4.45Å; F504-Y508 HydrophobicContact CD1-CE2 4.32Å; F504-Y508 AromaticContact CE1-CE2 3.87Å; F504-Y508 HydrophobicContact CE1-CE2 3.87Å; F504-Y508 HydrophobicContact CE2-CE2 4.28Å; F504-Y508 AromaticContact CZ-CE2 3.84Å; F504-Y508 HydrophobicContact CZ-CE2 3.84Å; F504-Y508 WeakPolarHBondContact O-CD2 3.44Å; L505-Y508 PolarHBondContact O-N 3.18Å; Q506-Y508 PolarHBondContact O-N 3.19Å; Y508-T510 PolarHBondContact O-N 3.19Å; Y508-L519 VanDerWaalsContact CB-CD1 3.46Å; Y508-L519 HydrophobicContact CG-CD1 4.45Å |
| 509 | L | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -81.9 | 64.3 | -176.9 | -68.6 | -179.8 | 0 | 0 | 0 | 111.9 | L505 Q506 L519 L520 L539 V542 I543 N546 | L505-L509 WeakPolarHBondContact O-CG 3.34Å; L505-L509 PolarHBondContact O-N 2.95Å; Q506-L509 PolarHBondContact O-N 2.72Å; L509-L519 HydrophobicContact CD2-CB 4.19Å; L509-L520 HydrophobicContact CD2-CD2 3.79Å; L509-L520 HydrophobicContact CD2-CG 4.27Å; L509-L539 HydrophobicContact CD1-CD1 3.51Å; L509-L539 HydrophobicContact CD1-CG 4.36Å; L509-V542 HydrophobicContact CB-CG1 4.29Å; L509-I543 HydrophobicContact CD1-CD1 4.3Å; L509-I543 HydrophobicContact CD1-CG1 3.88Å; L509-N546 WeakPolarHBondContact O-CB 3.49Å; L509-N546 PolarHBondContact O-ND2 3.08Å | ||
| 510 | T | 91.2 | Very high | 92 | Very high | 52 Ų | 52 | 53.5 Ų | 53.5 | 32% | 0.319 | 25% | 0.254 | S | S | . | . | trans | -121.2 | 142.3 | 172.1 | 61.7 | 0 | 0 | 0 | 0 | 110.7 | Y508 H512 Q513 V516 | Y508-T510 PolarHBondContact O-N 3.19Å; T510-H512 PolarHBondContact O-N 3.18Å; T510-H512 VanDerWaalsContact O-N 3.16Å; T510-Q513 VanDerWaalsContact O-CB 3.27Å; T510-Q513 WeakPolarHBondContact O-CB 3.28Å; T510-Q513 PolarHBondContact O-N 2.82Å; T510-V516 WeakPolarHBondContact O-CG2 3.44Å | ||
| 511 | P | 90.5 | Very high | 91.9 | Very high | 34 Ų | 34 | 51.6 Ų | 51.6 | 22% | 0.221 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -27.3 | -176.8 | -24.8 | 33 | 0 | 0 | 0 | 114.7 | Q513 N546 F547 A556 | P511-Q513 VanDerWaalsContact C-N 3.3Å; P511-N546 WeakPolarHBondContact CD-O 3.47Å; P511-N546 WeakPolarHBondContact CG-O 3.48Å; P511-F547 HydrophobicContact CB-CD1 4.38Å; P511-F547 HydrophobicContact CB-CE1 4.14Å; P511-F547 HydrophobicContact CG-CD1 3.98Å; P511-F547 HydrophobicContact CG-CD2 4.44Å; P511-F547 HydrophobicContact CG-CE1 4.04Å; P511-F547 HydrophobicContact CG-CE2 4.49Å; P511-F547 HydrophobicContact CG-CG 4.17Å; P511-F547 HydrophobicContact CG-CZ 4.28Å; P511-A556 HydrophobicContact CB-CB 4.42Å |
| 512 | H | 90 | Very high | 91.8 | Very high | 173 Ų | 173 | 52.4 Ų | 52.4 | 80% | 0.801 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -12.1 | 179.7 | -58.3 | -60.7 | 0 | 0 | 0 | 113.3 | T510 | T510-H512 PolarHBondContact O-N 3.18Å; T510-H512 VanDerWaalsContact O-N 3.16Å |
| 513 | Q | 90.4 | Very high | 91.8 | Very high | 56 Ų | 56 | 52.4 Ų | 52.4 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -66.8 | 138.9 | 179.8 | -173 | 62 | 17.5 | 0 | 0 | 110.8 | Y477 T510 P511 D515 V516 L519 | Y477-Q513 PolarHBondContact OH-NE2 3.05Å; T510-Q513 VanDerWaalsContact O-CB 3.27Å; T510-Q513 WeakPolarHBondContact O-CB 3.28Å; T510-Q513 PolarHBondContact O-N 2.82Å; P511-Q513 VanDerWaalsContact C-N 3.3Å; Q513-D515 PolarHBondContact O-N 3.04Å; Q513-V516 HydrophobicContact CB-CB 4.22Å; Q513-V516 HydrophobicContact CB-CG2 4.34Å; Q513-V516 PolarHBondContact O-N 3.23Å; Q513-L519 HydrophobicContact CG-CD1 4.16Å |
| 514 | R | 88.4 | Confident | 91.7 | Very high | 205 Ų | 205 | 49.4 Ų | 49.4 | 77% | 0.774 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 136.6 | 175.5 | -63.3 | -177.1 | -176.7 | 176.8 | 1.1 | 110.3 | Y477 V516 | Y477-R514 HydrophobicContact CE1-CB 4.31Å; Y477-R514 PolarHBondContact OH-O 2.69Å; R514-V516 PolarHBondContact O-N 3.37Å |
| 515 | D | 87.7 | Confident | 91.6 | Very high | 77 Ų | 77 | 49.1 Ų | 49.1 | 41% | 0.412 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 29.7 | 176.8 | -78.5 | -21.6 | 0 | 0 | 0 | 114.8 | L481 Q513 T517 K518 | L481-D515 HydrophobicContact CD2-CB 4.17Å; Q513-D515 PolarHBondContact O-N 3.04Å; D515-T517 PolarHBondContact O-N 3.46Å; D515-T517 VanDerWaalsContact O-N 3.08Å; D515-K518 HydrophobicContact CB-CD 3.99Å; D515-K518 HydrophobicContact CB-CG 4.42Å; D515-K518 WeakPolarHBondContact O-CB 3.45Å; D515-K518 PolarHBondContact O-N 3.08Å; D515-K518 IonicContact OD1-NZ 3.42Å; D515-K518 PolarHBondContact OD1-NZ 3.04Å; D515-K518 IonicContact OD2-NZ 3.36Å; D515-K518 PolarHBondContact OD2-NZ 3.17Å |
| 516 | V | 92.4 | Very high | 91.5 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 9% | 0.085 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -24.5 | -176.4 | 75.9 | 0 | 0 | 0 | 0 | 113.8 | T510 Q513 R514 K518 L519 L520 F547 | T510-V516 WeakPolarHBondContact O-CG2 3.44Å; Q513-V516 HydrophobicContact CB-CB 4.22Å; Q513-V516 HydrophobicContact CB-CG2 4.34Å; Q513-V516 PolarHBondContact O-N 3.23Å; R514-V516 PolarHBondContact O-N 3.37Å; V516-K518 PolarHBondContact O-N 2.89Å; V516-L519 HydrophobicContact CG2-CB 4.48Å; V516-L519 HydrophobicContact CG2-CD1 4.25Å; V516-L519 WeakPolarHBondContact O-CB 3.45Å; V516-L519 PolarHBondContact O-N 3.42Å; V516-L519 VanDerWaalsContact O-N 3.12Å; V516-L520 WeakPolarHBondContact O-CG 3.45Å; V516-L520 PolarHBondContact O-N 2.92Å; V516-F547 HydrophobicContact CB-CZ 4.45Å; V516-F547 HydrophobicContact CG1-CE1 4.01Å; V516-F547 HydrophobicContact CG1-CZ 4Å; V516-F547 HydrophobicContact CG2-CE1 4.47Å; V516-F547 HydrophobicContact CG2-CZ 3.63Å |
| 517 | T | 91.9 | Very high | 91.4 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 17% | 0.166 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.3 | -33.9 | 173.3 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | D515 L521 V559 L769 E773 | D515-T517 PolarHBondContact O-N 3.46Å; D515-T517 VanDerWaalsContact O-N 3.08Å; T517-L521 PolarHBondContact O-N 2.68Å; T517-L521 VanDerWaalsContact O-N 3.13Å; T517-V559 HydrophobicContact CG2-CG1 4.11Å; T517-L769 WeakPolarHBondContact O-CD1 3.41Å; T517-E773 VanDerWaalsContact CB-OE1 3.3Å; T517-E773 WeakPolarHBondContact CB-OE1 3.47Å; T517-E773 HydrophobicContact CG2-CG 3.82Å; T517-E773 PolarHBondContact OG1-OE1 3.44Å |
| 518 | K | 91.8 | Very high | 91.2 | Very high | 68 Ų | 68 | 37.8 Ų | 37.8 | 30% | 0.296 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -72 | -38.6 | 174.6 | -59.4 | 177.2 | -169 | 161.2 | 0 | 111.3 | L481 D515 V516 L521 F522 L769 | L481-K518 HydrophobicContact CD2-CD 3.96Å; D515-K518 HydrophobicContact CB-CD 3.99Å; D515-K518 HydrophobicContact CB-CG 4.42Å; D515-K518 WeakPolarHBondContact O-CB 3.45Å; D515-K518 PolarHBondContact O-N 3.08Å; D515-K518 IonicContact OD1-NZ 3.42Å; D515-K518 PolarHBondContact OD1-NZ 3.04Å; D515-K518 IonicContact OD2-NZ 3.36Å; D515-K518 PolarHBondContact OD2-NZ 3.17Å; V516-K518 PolarHBondContact O-N 2.89Å; K518-L521 VanDerWaalsContact O-CB 3.29Å; K518-L521 WeakPolarHBondContact O-CB 3.42Å; K518-L521 PolarHBondContact O-N 3.31Å; K518-F522 HydrophobicContact CB-CE1 4.48Å; K518-F522 HydrophobicContact CB-CE2 4.25Å; K518-F522 HydrophobicContact CB-CZ 3.91Å; K518-F522 VanDerWaalsContact O-CD1 3.24Å; K518-F522 WeakPolarHBondContact O-CD1 3.47Å; K518-F522 WeakPolarHBondContact O-CD2 3.43Å; K518-F522 WeakPolarHBondContact O-CE1 3.31Å; K518-F522 WeakPolarHBondContact O-CG 3.3Å; K518-F522 PolarHBondContact O-N 3.22Å; K518-L769 HydrophobicContact CG-CD1 4.12Å; K518-L769 HydrophobicContact CG-CD2 4.32Å |
| 519 | L | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 174.9 | -68.5 | 172.6 | 0 | 0 | 0 | 112.2 | Y477 L481 M484 L505 Y508 L509 Q513 V516 L521 F522 A523 | Y477-L519 VanDerWaalsContact OH-CD1 3.28Å; Y477-L519 WeakPolarHBondContact OH-CD1 3.17Å; L481-L519 HydrophobicContact CD1-CD2 3.81Å; L481-L519 HydrophobicContact CD1-CG 4.11Å; M484-L519 HydrophobicContact SD-CD2 3.51Å; M484-L519 VanDerWaalsContact SD-CD2 3.51Å; L505-L519 HydrophobicContact CD2-CD2 4.35Å; Y508-L519 VanDerWaalsContact CB-CD1 3.46Å; Y508-L519 HydrophobicContact CG-CD1 4.45Å; L509-L519 HydrophobicContact CD2-CB 4.19Å; Q513-L519 HydrophobicContact CG-CD1 4.16Å; V516-L519 HydrophobicContact CG2-CB 4.48Å; V516-L519 HydrophobicContact CG2-CD1 4.25Å; V516-L519 WeakPolarHBondContact O-CB 3.45Å; V516-L519 PolarHBondContact O-N 3.42Å; V516-L519 VanDerWaalsContact O-N 3.12Å; L519-L521 PolarHBondContact O-N 3.12Å; L519-F522 HydrophobicContact CD2-CD2 4.13Å; L519-F522 HydrophobicContact CD2-CE2 4.46Å; L519-F522 PolarHBondContact O-N 2.97Å; L519-F522 VanDerWaalsContact O-N 3.14Å; L519-A523 PolarHBondContact O-N 3.23Å |
| 520 | L | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.7 | -35.4 | 173.7 | -70.8 | 170.6 | 0 | 0 | 0 | 111.7 | L509 V516 A523 A524 I543 F547 V559 A563 I772 | L509-L520 HydrophobicContact CD2-CD2 3.79Å; L509-L520 HydrophobicContact CD2-CG 4.27Å; V516-L520 WeakPolarHBondContact O-CG 3.45Å; V516-L520 PolarHBondContact O-N 2.92Å; L520-A523 WeakPolarHBondContact O-CB 3.26Å; L520-A523 PolarHBondContact O-N 3.02Å; L520-A524 PolarHBondContact O-N 3.19Å; L520-A524 VanDerWaalsContact O-N 3.07Å; L520-I543 HydrophobicContact CD2-CD1 3.8Å; L520-I543 HydrophobicContact CD2-CG1 3.93Å; L520-I543 HydrophobicContact CD2-CG2 4.3Å; L520-F547 HydrophobicContact CD1-CE1 4.05Å; L520-F547 HydrophobicContact CD1-CZ 4.07Å; L520-F547 HydrophobicContact CD2-CE2 4.43Å; L520-V559 HydrophobicContact CD1-CG1 3.54Å; L520-A563 HydrophobicContact CB-CB 3.98Å; L520-A563 HydrophobicContact CD1-CB 4.06Å; L520-A563 HydrophobicContact CD2-CB 3.97Å; L520-A563 HydrophobicContact CG-CB 4.23Å; L520-I772 HydrophobicContact CB-CD1 4.38Å; L520-I772 HydrophobicContact CB-CG2 4.47Å |
| 521 | L | 91.8 | Very high | 90.5 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 10% | 0.099 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.9 | -43 | 172.6 | -174.3 | 65.7 | 0 | 0 | 0 | 111.9 | T517 K518 L519 A523 A524 H525 A767 L769 I772 | T517-L521 PolarHBondContact O-N 2.68Å; T517-L521 VanDerWaalsContact O-N 3.13Å; K518-L521 VanDerWaalsContact O-CB 3.29Å; K518-L521 WeakPolarHBondContact O-CB 3.42Å; K518-L521 PolarHBondContact O-N 3.31Å; L519-L521 PolarHBondContact O-N 3.12Å; L521-A523 VanDerWaalsContact C-N 3.32Å; L521-A523 PolarHBondContact O-N 3.06Å; L521-A524 WeakPolarHBondContact O-CB 3.46Å; L521-A524 PolarHBondContact O-N 2.83Å; L521-A524 VanDerWaalsContact O-N 3.15Å; L521-H525 PolarHBondContact O-N 3.07Å; L521-A767 HydrophobicContact CD1-CB 3.79Å; L521-A767 WeakPolarHBondContact CD1-O 3.3Å; L521-L769 HydrophobicContact CB-CD1 4.49Å; L521-L769 HydrophobicContact CD2-CB 4.11Å; L521-L769 HydrophobicContact CD2-CD1 4.34Å; L521-I772 VanDerWaalsContact CA-CD1 3.47Å; L521-I772 HydrophobicContact CB-CD1 3.75Å; L521-I772 HydrophobicContact CD1-CD1 3.74Å; L521-I772 HydrophobicContact CG-CD1 4.38Å |
| 522 | F | 92.9 | Very high | 90.5 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -37.6 | 178.3 | -54.7 | -24.4 | 0 | 0 | 0 | 111.7 | L481 M484 A485 S488 K518 L519 A524 H525 A526 | L481-F522 HydrophobicContact CD1-CE2 3.65Å; L481-F522 HydrophobicContact CD1-CZ 4.42Å; L481-F522 HydrophobicContact CG-CE2 4Å; L481-F522 HydrophobicContact CG-CZ 4.41Å; M484-F522 HydrophobicContact CB-CD2 3.85Å; M484-F522 HydrophobicContact CB-CE2 4.17Å; A485-F522 HydrophobicContact CB-CD1 4.15Å; A485-F522 HydrophobicContact CB-CE1 3.44Å; A485-F522 VanDerWaalsContact CB-CE1 3.44Å; A485-F522 HydrophobicContact CB-CE2 3.98Å; A485-F522 HydrophobicContact CB-CZ 3.35Å; S488-F522 WeakPolarHBondContact CB-O 3.18Å; K518-F522 HydrophobicContact CB-CE1 4.48Å; K518-F522 HydrophobicContact CB-CE2 4.25Å; K518-F522 HydrophobicContact CB-CZ 3.91Å; K518-F522 VanDerWaalsContact O-CD1 3.24Å; K518-F522 WeakPolarHBondContact O-CD1 3.47Å; K518-F522 WeakPolarHBondContact O-CD2 3.43Å; K518-F522 WeakPolarHBondContact O-CE1 3.31Å; K518-F522 WeakPolarHBondContact O-CG 3.3Å; K518-F522 PolarHBondContact O-N 3.22Å; L519-F522 HydrophobicContact CD2-CD2 4.13Å; L519-F522 HydrophobicContact CD2-CE2 4.46Å; L519-F522 PolarHBondContact O-N 2.97Å; L519-F522 VanDerWaalsContact O-N 3.14Å; F522-A524 VanDerWaalsContact C-N 3.35Å; F522-H525 PolarHBondContact O-N 3.33Å; F522-A526 WeakPolarHBondContact O-CB 3.42Å; F522-A526 PolarHBondContact O-N 3.27Å |
| 523 | A | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L505 L519 L520 L521 A526 S527 L539 I567 | L505-A523 HydrophobicContact CD1-CB 4.24Å; L519-A523 PolarHBondContact O-N 3.23Å; L520-A523 WeakPolarHBondContact O-CB 3.26Å; L520-A523 PolarHBondContact O-N 3.02Å; L521-A523 VanDerWaalsContact C-N 3.32Å; L521-A523 PolarHBondContact O-N 3.06Å; A523-A526 PolarHBondContact O-N 2.92Å; A523-S527 PolarHBondContact O-N 3.11Å; A523-S527 PolarHBondContact O-OG 2.78Å; A523-L539 HydrophobicContact CB-CD2 3.86Å; A523-I567 HydrophobicContact CB-CD1 4.31Å |
| 524 | A | 91.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.1 | -34.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L520 L521 F522 E566 I567 R570 A767 | L520-A524 PolarHBondContact O-N 3.19Å; L520-A524 VanDerWaalsContact O-N 3.07Å; L521-A524 WeakPolarHBondContact O-CB 3.46Å; L521-A524 PolarHBondContact O-N 2.83Å; L521-A524 VanDerWaalsContact O-N 3.15Å; F522-A524 VanDerWaalsContact C-N 3.35Å; A524-E566 HydrophobicContact CB-CB 4.16Å; A524-I567 HydrophobicContact CB-CG1 4.03Å; A524-R570 WeakPolarHBondContact O-CD 3.48Å; A524-R570 PolarHBondContact O-NE 3.21Å; A524-A767 HydrophobicContact CB-CB 4.37Å |
| 525 | H | 89.7 | Confident | 90.6 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.4 | -37.8 | 175.4 | -71.5 | 172.7 | 0 | 0 | 0 | 112.7 | M492 L521 F522 S527 V766 A767 | M492-H525 HydrophobicContact CB-CB 4.31Å; M492-H525 VanDerWaalsContact CB-O 3.23Å; M492-H525 WeakPolarHBondContact CB-O 3.35Å; M492-H525 HydrophobicContact SD-CB 4.16Å; L521-H525 PolarHBondContact O-N 3.07Å; F522-H525 PolarHBondContact O-N 3.33Å; H525-S527 VanDerWaalsContact C-N 3.3Å; H525-S527 PolarHBondContact O-N 3Å; H525-V766 WeakPolarHBondContact NE2-CG1 3.3Å; H525-A767 PolarHBondContact NE2-O 2.73Å |
| 526 | A | 92 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.5 | -24.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | I491 F501 Y502 F522 A523 H528 | I491-A526 HydrophobicContact CD1-CB 4.2Å; I491-A526 HydrophobicContact CG2-CB 4.21Å; I491-A526 WeakPolarHBondContact CG2-O 3.46Å; F501-A526 HydrophobicContact CD1-CB 4Å; F501-A526 HydrophobicContact CE1-CB 3.84Å; Y502-A526 HydrophobicContact CE1-CB 4.05Å; Y502-A526 PolarHBondContact OH-O 3.27Å; F522-A526 WeakPolarHBondContact O-CB 3.42Å; F522-A526 PolarHBondContact O-N 3.27Å; A523-A526 PolarHBondContact O-N 2.92Å; A526-H528 PolarHBondContact O-CD2 2.94Å |
| 527 | S | 90.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | trans | -76.6 | 123.7 | -178.5 | -57 | 0 | 0 | 0 | 0 | 111.7 | A523 H525 R570 | A523-S527 PolarHBondContact O-N 3.11Å; A523-S527 PolarHBondContact O-OG 2.78Å; H525-S527 VanDerWaalsContact C-N 3.3Å; H525-S527 PolarHBondContact O-N 3Å; S527-R570 WeakPolarHBondContact O-CD 3.21Å | ||
| 528 | H | 88.5 | Confident | 90.9 | Very high | 6 Ų | 6 | 29.4 Ų | 29.4 | 3% | 0.028 | 16% | 0.16 | C | C | . | . | trans | -148.6 | 166.8 | 174.1 | 57.9 | 73.8 | 0 | 0 | 0 | 111.9 | H495 L496 A526 L530 V531 C571 | H495-H528 AromaticContact ND1-CG 3.77Å; H495-H528 PolarHBondContact O-CE1 3.29Å; L496-H528 PolarHBondContact O-NE2 3.36Å; A526-H528 PolarHBondContact O-CD2 2.94Å; H528-L530 PolarHBondContact ND1-N 3.18Å; H528-L530 PolarHBondContact O-N 3.48Å; H528-V531 WeakPolarHBondContact CE1-CG2 3.46Å; H528-V531 WeakPolarHBondContact NE2-CG2 3.33Å; H528-V531 WeakPolarHBondContact O-CG2 3.41Å; H528-V531 PolarHBondContact O-N 3.48Å; H528-C571 PolarHBondContact N-SG 3.17Å; H528-C571 VanDerWaalsContact N-SG 3.38Å; H528-C571 PolarHBondContact O-SG 3.31Å | ||
| 529 | D | 84.9 | Confident | 91 | Very high | 112 Ų | 112 | 26.1 Ų | 26.1 | 60% | 0.599 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -29.9 | -171.4 | -55.7 | 19.1 | 0 | 0 | 0 | 114.1 | ||
| 530 | L | 86.6 | Confident | 91.1 | Very high | 91 Ų | 91 | 26.1 Ų | 26.1 | 48% | 0.476 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -4.2 | 179 | -55.6 | 177.3 | 0 | 0 | 0 | 115.3 | H495 H528 Y635 | H495-L530 HydrophobicContact CB-CD1 4.07Å; H528-L530 PolarHBondContact ND1-N 3.18Å; H528-L530 PolarHBondContact O-N 3.48Å; L530-Y635 PolarHBondContact O-OH 3.44Å; L530-Y635 VanDerWaalsContact O-OH 3.12Å |
| 531 | V | 88.6 | Confident | 91.1 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -82.1 | 135 | 176.3 | -173.4 | 0 | 0 | 0 | 0 | 109 | Y502 H528 V536 Y635 | Y502-V531 HydrophobicContact CE2-CG1 3.91Å; Y502-V531 VanDerWaalsContact OH-CG2 3.24Å; Y502-V531 WeakPolarHBondContact OH-CG2 3.38Å; H528-V531 WeakPolarHBondContact CE1-CG2 3.46Å; H528-V531 WeakPolarHBondContact NE2-CG2 3.33Å; H528-V531 WeakPolarHBondContact O-CG2 3.41Å; H528-V531 PolarHBondContact O-N 3.48Å; V531-V536 HydrophobicContact CB-CG2 4.12Å; V531-V536 HydrophobicContact CG1-CG2 3.72Å; V531-Y635 WeakPolarHBondContact O-CE2 3.45Å |
| 532 | P | 90 | Very high | 91.2 | Very high | 32 Ų | 32 | 31.4 Ų | 31.4 | 21% | 0.208 | 17% | 0.168 | C | C | . | . | trans | -52.3 | 127.5 | 173.7 | -27.4 | 34.8 | 0 | 0 | 0 | 111.5 | L499 D534 V535 | L499-P532 HydrophobicContact CD2-CG 4.23Å; P532-D534 PolarHBondContact O-N 3.43Å; P532-V535 HydrophobicContact CB-CG2 4.39Å; P532-V535 PolarHBondContact O-N 2.88Å | ||
| 533 | P | 88.5 | Confident | 91.3 | Very high | 27 Ų | 27 | 30.6 Ų | 30.6 | 18% | 0.175 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.4 | -33 | -172.9 | 23.2 | -32.9 | 0 | 0 | 0 | 112.4 | V535 V536 E537 L573 | P533-V535 VanDerWaalsContact C-N 3.26Å; P533-V535 PolarHBondContact O-N 3.22Å; P533-V536 CarbonylContact O-C 2.96Å; P533-V536 PolarHBondContact O-N 3.4Å; P533-V536 VanDerWaalsContact O-N 3.13Å; P533-E537 WeakPolarHBondContact O-CB 3.25Å; P533-E537 PolarHBondContact O-N 3.15Å; P533-L573 HydrophobicContact CB-CB 4.02Å |
| 534 | D | 91.3 | Very high | 91.3 | Very high | 118 Ų | 118 | 30.9 Ų | 30.9 | 63% | 0.631 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -57.1 | -38.2 | -179.1 | -49.1 | -12.8 | 0 | 0 | 0 | 112.6 | P532 A538 | P532-D534 PolarHBondContact O-N 3.43Å; D534-A538 PolarHBondContact O-N 3.21Å |
| 535 | V | 92.7 | Very high | 91.3 | Very high | 37 Ų | 37 | 38.5 Ų | 38.5 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.6 | -40.9 | -179.5 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | L499 Y502 P532 P533 L539 | L499-V535 HydrophobicContact CD2-CG2 4.39Å; Y502-V535 HydrophobicContact CD1-CG1 4.49Å; Y502-V535 HydrophobicContact CD2-CG1 3.47Å; Y502-V535 VanDerWaalsContact CD2-CG1 3.47Å; Y502-V535 HydrophobicContact CE2-CG1 4.24Å; Y502-V535 HydrophobicContact CG-CG1 3.63Å; P532-V535 HydrophobicContact CB-CG2 4.39Å; P532-V535 PolarHBondContact O-N 2.88Å; P533-V535 VanDerWaalsContact C-N 3.26Å; P533-V535 PolarHBondContact O-N 3.22Å; V535-L539 PolarHBondContact O-N 3.37Å |
| 536 | V | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.5 | -33.5 | 177.6 | -171.6 | 0 | 0 | 0 | 0 | 110.4 | V531 P533 L539 V540 I567 C571 A574 | V531-V536 HydrophobicContact CB-CG2 4.12Å; V531-V536 HydrophobicContact CG1-CG2 3.72Å; P533-V536 CarbonylContact O-C 2.96Å; P533-V536 PolarHBondContact O-N 3.4Å; P533-V536 VanDerWaalsContact O-N 3.13Å; V536-L539 VanDerWaalsContact O-CB 3.3Å; V536-L539 WeakPolarHBondContact O-CB 3.36Å; V536-L539 PolarHBondContact O-N 3.1Å; V536-L539 VanDerWaalsContact O-N 3.17Å; V536-V540 HydrophobicContact CG1-CG2 4.44Å; V536-V540 WeakPolarHBondContact O-CG2 3.46Å; V536-V540 PolarHBondContact O-N 3.46Å; V536-I567 HydrophobicContact CG1-CG2 3.58Å; V536-C571 HydrophobicContact CG1-CB 4.37Å; V536-A574 HydrophobicContact CB-CB 3.64Å; V536-A574 HydrophobicContact CG1-CB 3.46Å; V536-A574 VanDerWaalsContact CG1-CB 3.46Å |
| 537 | E | 92.6 | Very high | 91.6 | Very high | 41 Ų | 41 | 40.9 Ų | 40.9 | 19% | 0.192 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 173.9 | -173.3 | -173.6 | 171.3 | 0 | 0 | 111.3 | P533 L539 V540 R541 A574 S576 | P533-E537 WeakPolarHBondContact O-CB 3.25Å; P533-E537 PolarHBondContact O-N 3.15Å; E537-L539 PolarHBondContact O-N 3.15Å; E537-V540 PolarHBondContact O-N 3.35Å; E537-R541 VanDerWaalsContact CD-NH2 3.33Å; E537-R541 VanDerWaalsContact O-CB 3.27Å; E537-R541 WeakPolarHBondContact O-CB 3.44Å; E537-R541 PolarHBondContact O-N 2.67Å; E537-R541 IonicContact OE1-CZ 3.97Å; E537-R541 IonicContact OE1-NH2 2.88Å; E537-R541 PolarHBondContact OE1-NH2 3.19Å; E537-A574 WeakPolarHBondContact CA-O 3.27Å; E537-A574 WeakPolarHBondContact CB-O 3.48Å; E537-S576 WeakPolarHBondContact OE1-CB 3.41Å |
| 538 | A | 93.3 | Very high | 91.8 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.1 | -40.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D534 V542 | D534-A538 PolarHBondContact O-N 3.21Å; A538-V542 VanDerWaalsContact O-CG2 3.31Å; A538-V542 WeakPolarHBondContact O-CG2 3.48Å; A538-V542 PolarHBondContact O-N 2.94Å; A538-V542 VanDerWaalsContact O-N 3.08Å |
| 539 | L | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.4 | -47.7 | 175.4 | -171.8 | 73 | 0 | 0 | 0 | 112.5 | Y502 Q506 L509 A523 V535 V536 E537 R541 V542 I543 | Y502-L539 HydrophobicContact CD1-CD2 4.09Å; Q506-L539 HydrophobicContact CG-CD1 3.71Å; L509-L539 HydrophobicContact CD1-CD1 3.51Å; L509-L539 HydrophobicContact CD1-CG 4.36Å; A523-L539 HydrophobicContact CB-CD2 3.86Å; V535-L539 PolarHBondContact O-N 3.37Å; V536-L539 VanDerWaalsContact O-CB 3.3Å; V536-L539 WeakPolarHBondContact O-CB 3.36Å; V536-L539 PolarHBondContact O-N 3.1Å; V536-L539 VanDerWaalsContact O-N 3.17Å; E537-L539 PolarHBondContact O-N 3.15Å; L539-R541 VanDerWaalsContact C-N 3.3Å; L539-R541 PolarHBondContact O-N 2.91Å; L539-V542 PolarHBondContact O-N 3.06Å; L539-I543 HydrophobicContact CG-CD1 4.43Å; L539-I543 WeakPolarHBondContact O-CG1 3.24Å; L539-I543 PolarHBondContact O-N 3.15Å |
| 540 | V | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 178.7 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | V536 E537 I543 A544 V564 I567 L579 | V536-V540 HydrophobicContact CG1-CG2 4.44Å; V536-V540 WeakPolarHBondContact O-CG2 3.46Å; V536-V540 PolarHBondContact O-N 3.46Å; E537-V540 PolarHBondContact O-N 3.35Å; V540-I543 PolarHBondContact O-N 3.04Å; V540-A544 PolarHBondContact O-N 3.41Å; V540-V564 HydrophobicContact CG1-CG1 4.03Å; V540-V564 HydrophobicContact CG1-CG2 4.27Å; V540-I567 HydrophobicContact CG2-CG2 3.93Å; V540-L579 HydrophobicContact CG1-CD2 3.88Å |
| 541 | R | 93.9 | Very high | 92.1 | Very high | 95 Ų | 95 | 50.3 Ų | 50.3 | 36% | 0.358 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62 | -44.2 | 176.1 | -172.8 | -179.8 | -60.9 | 133.5 | -0.6 | 111.8 | E537 L539 I543 A544 Y545 | E537-R541 VanDerWaalsContact CD-NH2 3.33Å; E537-R541 VanDerWaalsContact O-CB 3.27Å; E537-R541 WeakPolarHBondContact O-CB 3.44Å; E537-R541 PolarHBondContact O-N 2.67Å; E537-R541 IonicContact OE1-CZ 3.97Å; E537-R541 IonicContact OE1-NH2 2.88Å; E537-R541 PolarHBondContact OE1-NH2 3.19Å; L539-R541 VanDerWaalsContact C-N 3.3Å; L539-R541 PolarHBondContact O-N 2.91Å; R541-I543 PolarHBondContact O-N 3.06Å; R541-A544 PolarHBondContact O-N 3Å; R541-Y545 HydrophobicContact CG-CD2 3.78Å; R541-Y545 HydrophobicContact CG-CE2 3.23Å; R541-Y545 WeakPolarHBondContact O-CD2 3.14Å; R541-Y545 PolarHBondContact O-N 2.87Å |
| 542 | V | 93.8 | Very high | 92.2 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 21% | 0.212 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.2 | -43 | 174.2 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | Q506 L509 A538 L539 A544 Y545 N546 | Q506-V542 HydrophobicContact CB-CG1 4.46Å; Q506-V542 HydrophobicContact CG-CB 4.45Å; Q506-V542 HydrophobicContact CG-CG2 4.17Å; L509-V542 HydrophobicContact CB-CG1 4.29Å; A538-V542 VanDerWaalsContact O-CG2 3.31Å; A538-V542 WeakPolarHBondContact O-CG2 3.48Å; A538-V542 PolarHBondContact O-N 2.94Å; A538-V542 VanDerWaalsContact O-N 3.08Å; L539-V542 PolarHBondContact O-N 3.06Å; V542-A544 VanDerWaalsContact C-N 3.34Å; V542-A544 PolarHBondContact O-N 2.71Å; V542-Y545 PolarHBondContact O-N 3.32Å; V542-N546 VanDerWaalsContact O-CB 3.3Å; V542-N546 WeakPolarHBondContact O-CB 3.38Å; V542-N546 PolarHBondContact O-N 2.93Å |
| 543 | I | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 176.2 | -64.9 | 166.9 | 0 | 0 | 0 | 110.5 | L509 L520 L539 V540 R541 N546 F547 V564 I567 | L509-I543 HydrophobicContact CD1-CD1 4.3Å; L509-I543 HydrophobicContact CD1-CG1 3.88Å; L520-I543 HydrophobicContact CD2-CD1 3.8Å; L520-I543 HydrophobicContact CD2-CG1 3.93Å; L520-I543 HydrophobicContact CD2-CG2 4.3Å; L539-I543 HydrophobicContact CG-CD1 4.43Å; L539-I543 WeakPolarHBondContact O-CG1 3.24Å; L539-I543 PolarHBondContact O-N 3.15Å; V540-I543 PolarHBondContact O-N 3.04Å; R541-I543 PolarHBondContact O-N 3.06Å; I543-N546 PolarHBondContact O-N 2.77Å; I543-F547 HydrophobicContact CG2-CB 4.48Å; I543-F547 HydrophobicContact CG2-CD2 4.14Å; I543-F547 VanDerWaalsContact O-CB 3.29Å; I543-F547 WeakPolarHBondContact O-CB 3.28Å; I543-F547 PolarHBondContact O-N 2.95Å; I543-V564 HydrophobicContact CB-CG2 4.4Å; I543-V564 HydrophobicContact CG2-CG2 3.85Å; I543-I567 HydrophobicContact CD1-CD1 3.57Å |
| 544 | A | 93.5 | Very high | 92.4 | Very high | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.7 | -49.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V540 R541 V542 N546 I548 L579 | V540-A544 PolarHBondContact O-N 3.41Å; R541-A544 PolarHBondContact O-N 3Å; V542-A544 VanDerWaalsContact C-N 3.34Å; V542-A544 PolarHBondContact O-N 2.71Å; A544-N546 PolarHBondContact O-N 3.12Å; A544-I548 CarbonylContact O-C 3.59Å; A544-I548 WeakPolarHBondContact O-CA 3.37Å; A544-I548 WeakPolarHBondContact O-CB 3.29Å; A544-I548 PolarHBondContact O-N 3.45Å; A544-L579 HydrophobicContact CB-CD1 3.84Å; A544-L579 HydrophobicContact CB-CD2 4.32Å |
| 545 | Y | 93.3 | Very high | 92.4 | Very high | 159 Ų | 159 | 52.5 Ų | 52.5 | 62% | 0.624 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -67 | -33.5 | 179.9 | -66.3 | -39.9 | 0 | 0 | 0 | 113.8 | R541 V542 T549 | R541-Y545 HydrophobicContact CG-CD2 3.78Å; R541-Y545 HydrophobicContact CG-CE2 3.23Å; R541-Y545 WeakPolarHBondContact O-CD2 3.14Å; R541-Y545 PolarHBondContact O-N 2.87Å; V542-Y545 PolarHBondContact O-N 3.32Å; Y545-T549 WeakPolarHBondContact O-CG2 3.36Å |
| 546 | N | 93.8 | Very high | 92.4 | Very high | 58 Ų | 58 | 51.5 Ų | 51.5 | 31% | 0.31 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -89 | -33.6 | -176.9 | -70.7 | -11 | 0 | 0 | 0 | 113.4 | L509 P511 V542 I543 A544 N552 | L509-N546 WeakPolarHBondContact O-CB 3.49Å; L509-N546 PolarHBondContact O-ND2 3.08Å; P511-N546 WeakPolarHBondContact CD-O 3.47Å; P511-N546 WeakPolarHBondContact CG-O 3.48Å; V542-N546 VanDerWaalsContact O-CB 3.3Å; V542-N546 WeakPolarHBondContact O-CB 3.38Å; V542-N546 PolarHBondContact O-N 2.93Å; I543-N546 PolarHBondContact O-N 2.77Å; A544-N546 PolarHBondContact O-N 3.12Å; N546-N552 PolarHBondContact O-ND2 3.25Å |
| 547 | F | 94.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -105.6 | -41.8 | -175.7 | -72.8 | -99.3 | 0 | 0 | 0 | 113.6 | P511 V516 L520 I543 T549 N552 A556 I557 | P511-F547 HydrophobicContact CB-CD1 4.38Å; P511-F547 HydrophobicContact CB-CE1 4.14Å; P511-F547 HydrophobicContact CG-CD1 3.98Å; P511-F547 HydrophobicContact CG-CD2 4.44Å; P511-F547 HydrophobicContact CG-CE1 4.04Å; P511-F547 HydrophobicContact CG-CE2 4.49Å; P511-F547 HydrophobicContact CG-CG 4.17Å; P511-F547 HydrophobicContact CG-CZ 4.28Å; V516-F547 HydrophobicContact CB-CZ 4.45Å; V516-F547 HydrophobicContact CG1-CE1 4.01Å; V516-F547 HydrophobicContact CG1-CZ 4Å; V516-F547 HydrophobicContact CG2-CE1 4.47Å; V516-F547 HydrophobicContact CG2-CZ 3.63Å; L520-F547 HydrophobicContact CD1-CE1 4.05Å; L520-F547 HydrophobicContact CD1-CZ 4.07Å; L520-F547 HydrophobicContact CD2-CE2 4.43Å; I543-F547 HydrophobicContact CG2-CB 4.48Å; I543-F547 HydrophobicContact CG2-CD2 4.14Å; I543-F547 VanDerWaalsContact O-CB 3.29Å; I543-F547 WeakPolarHBondContact O-CB 3.28Å; I543-F547 PolarHBondContact O-N 2.95Å; F547-T549 VanDerWaalsContact C-N 3.28Å; F547-T549 PolarHBondContact O-N 3.12Å; F547-T549 VanDerWaalsContact O-N 3.14Å; F547-N552 VanDerWaalsContact C-ND2 3.29Å; F547-N552 WeakPolarHBondContact CA-ND2 3.43Å; F547-N552 PolarHBondContact O-ND2 3.07Å; F547-A556 HydrophobicContact CD1-CB 4.48Å; F547-I557 WeakPolarHBondContact O-CG1 3.38Å |
| 548 | I | 92.9 | Very high | 92.5 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 5% | 0.051 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -96.3 | 59.3 | -168.8 | -50.9 | 170.4 | 0 | 0 | 0 | 109.1 | A544 I557 L561 V564 L583 Y586 | A544-I548 CarbonylContact O-C 3.59Å; A544-I548 WeakPolarHBondContact O-CA 3.37Å; A544-I548 WeakPolarHBondContact O-CB 3.29Å; A544-I548 PolarHBondContact O-N 3.45Å; I548-I557 HydrophobicContact CG2-CG2 4.28Å; I548-L561 HydrophobicContact CD1-CD2 3.96Å; I548-L561 HydrophobicContact CD1-CG 4.15Å; I548-L561 HydrophobicContact CG1-CG 4.48Å; I548-V564 HydrophobicContact CD1-CG2 4.26Å; I548-L583 HydrophobicContact CB-CD2 4.34Å; I548-L583 HydrophobicContact CD1-CD1 4.46Å; I548-L583 HydrophobicContact CD1-CD2 3.57Å; I548-L583 HydrophobicContact CG2-CD2 3.74Å; I548-Y586 HydrophobicContact CG2-CD2 4.14Å; I548-Y586 HydrophobicContact CG2-CE1 4.39Å; I548-Y586 HydrophobicContact CG2-CE2 3.5Å; I548-Y586 VanDerWaalsContact CG2-CE2 3.5Å; I548-Y586 PolarHBondContact O-OH 3.03Å |
| 549 | T | 91 | Very high | 92.5 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 26% | 0.258 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -127.7 | 149.7 | 174.9 | 66.3 | 0 | 0 | 0 | 0 | 109.9 | Y545 F547 R551 N552 I557 | Y545-T549 WeakPolarHBondContact O-CG2 3.36Å; F547-T549 VanDerWaalsContact C-N 3.28Å; F547-T549 PolarHBondContact O-N 3.12Å; F547-T549 VanDerWaalsContact O-N 3.14Å; T549-R551 PolarHBondContact O-N 2.98Å; T549-R551 VanDerWaalsContact O-N 3.09Å; T549-N552 PolarHBondContact O-N 3.46Å; T549-N552 PolarHBondContact OG1-ND2 3.38Å; T549-N552 VanDerWaalsContact OG1-ND2 3.17Å; T549-I557 WeakPolarHBondContact O-CD1 3.4Å |
| 550 | D | 86.2 | Confident | 92.5 | Very high | 120 Ų | 120 | 48.9 Ų | 48.9 | 64% | 0.642 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14.5 | 179.6 | -73.3 | -38.8 | 0 | 0 | 0 | 113.7 | N552 | D550-N552 VanDerWaalsContact C-N 3.3Š|
| 551 | R | 90.1 | Very high | 92.5 | Very high | 237 Ų | 237 | 48.9 Ų | 48.9 | 89% | 0.894 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -24.9 | 175.3 | -61.4 | -178.1 | -177.6 | -180 | 0.7 | 112.4 | T549 | T549-R551 PolarHBondContact O-N 2.98Å; T549-R551 VanDerWaalsContact O-N 3.09Å |
| 552 | N | 91.1 | Very high | 92.5 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -85.8 | 162.4 | -176.2 | -73.1 | -37 | 0 | 0 | 0 | 112.8 | N546 F547 T549 D550 A556 I557 | N546-N552 PolarHBondContact O-ND2 3.25Å; F547-N552 VanDerWaalsContact C-ND2 3.29Å; F547-N552 WeakPolarHBondContact CA-ND2 3.43Å; F547-N552 PolarHBondContact O-ND2 3.07Å; T549-N552 PolarHBondContact O-N 3.46Å; T549-N552 PolarHBondContact OG1-ND2 3.38Å; T549-N552 VanDerWaalsContact OG1-ND2 3.17Å; D550-N552 VanDerWaalsContact C-N 3.3Å; N552-A556 HydrophobicContact CB-CB 4.17Å; N552-I557 HydrophobicContact CB-CG1 4.22Å |
| 553 | S | 91.2 | Very high | 92.5 | Very high | 71 Ų | 71 | 42.9 Ų | 42.9 | 50% | 0.497 | 21% | 0.212 | S | C | . | . | trans | -63.5 | 149.6 | 173.6 | 77 | 0 | 0 | 0 | 0 | 111.1 | E555 A556 I557 | S553-E555 PolarHBondContact O-N 3.07Å; S553-A556 PolarHBondContact O-N 3.3Å; S553-A556 WeakPolarHBondContact OG-CB 3.21Å; S553-A556 PolarHBondContact OG-N 3Å; S553-A556 VanDerWaalsContact OG-N 3.17Å; S553-I557 WeakPolarHBondContact O-CG1 3.31Å; S553-I557 PolarHBondContact O-N 3.4Å | ||
| 554 | S | 91.5 | Very high | 92.4 | Very high | 37 Ų | 37 | 42.9 Ų | 42.9 | 26% | 0.259 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.7 | -22.9 | 177.6 | 69.3 | 0 | 0 | 0 | 0 | 113.8 | T558 N591 V594 | S554-T558 WeakPolarHBondContact O-CB 3.32Å; S554-T558 PolarHBondContact O-N 3.17Å; S554-T558 VanDerWaalsContact O-N 3.15Å; S554-T558 PolarHBondContact O-OG1 3.02Å; S554-N591 WeakPolarHBondContact CB-ND2 3.1Å; S554-V594 WeakPolarHBondContact O-CG2 3.14Å |
| 555 | E | 89.6 | Confident | 92.4 | Very high | 88 Ų | 88 | 45.2 Ų | 45.2 | 41% | 0.411 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -74.5 | -47 | 175.5 | -62.1 | -178.6 | 168 | 0 | 0 | 110.6 | S553 I557 T558 V559 L775 P779 | S553-E555 PolarHBondContact O-N 3.07Å; E555-I557 VanDerWaalsContact C-N 3.33Å; E555-I557 PolarHBondContact O-N 3.23Å; E555-T558 WeakPolarHBondContact O-CB 3.41Å; E555-T558 PolarHBondContact O-N 3.39Å; E555-T558 VanDerWaalsContact O-N 3.12Å; E555-V559 WeakPolarHBondContact O-CG2 3.44Å; E555-V559 PolarHBondContact O-N 3.25Å; E555-L775 HydrophobicContact CG-CD2 4.31Å; E555-P779 WeakPolarHBondContact OE1-CG 3.46Å |
| 556 | A | 92.6 | Very high | 92.2 | Very high | 15 Ų | 15 | 38.6 Ų | 38.6 | 12% | 0.124 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | P511 F547 N552 S553 T558 V559 G560 | P511-A556 HydrophobicContact CB-CB 4.42Å; F547-A556 HydrophobicContact CD1-CB 4.48Å; N552-A556 HydrophobicContact CB-CB 4.17Å; S553-A556 PolarHBondContact O-N 3.3Å; S553-A556 WeakPolarHBondContact OG-CB 3.21Å; S553-A556 PolarHBondContact OG-N 3Å; S553-A556 VanDerWaalsContact OG-N 3.17Å; A556-T558 VanDerWaalsContact C-N 3.34Å; A556-T558 PolarHBondContact O-N 3.35Å; A556-V559 PolarHBondContact O-N 2.98Å; A556-G560 PolarHBondContact O-N 3.17Å |
| 557 | I | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.1 | -60.8 | 169.3 | 0 | 0 | 0 | 110.8 | F547 I548 T549 N552 S553 E555 G560 L561 Y586 V594 | F547-I557 WeakPolarHBondContact O-CG1 3.38Å; I548-I557 HydrophobicContact CG2-CG2 4.28Å; T549-I557 WeakPolarHBondContact O-CD1 3.4Å; N552-I557 HydrophobicContact CB-CG1 4.22Å; S553-I557 WeakPolarHBondContact O-CG1 3.31Å; S553-I557 PolarHBondContact O-N 3.4Å; E555-I557 VanDerWaalsContact C-N 3.33Å; E555-I557 PolarHBondContact O-N 3.23Å; I557-G560 PolarHBondContact O-N 3.04Å; I557-L561 HydrophobicContact CG2-CD1 4.18Å; I557-L561 WeakPolarHBondContact O-CG 3.48Å; I557-L561 PolarHBondContact O-N 3.29Å; I557-Y586 HydrophobicContact CG2-CE1 4.4Å; I557-V594 HydrophobicContact CB-CG2 4.05Å; I557-V594 HydrophobicContact CG2-CB 4.42Å; I557-V594 HydrophobicContact CG2-CG1 3.7Å; I557-V594 HydrophobicContact CG2-CG2 3.87Å |
| 558 | T | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.9 | -45.2 | 178.4 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | S554 E555 A556 G560 L561 N562 N593 V594 L775 | S554-T558 WeakPolarHBondContact O-CB 3.32Å; S554-T558 PolarHBondContact O-N 3.17Å; S554-T558 VanDerWaalsContact O-N 3.15Å; S554-T558 PolarHBondContact O-OG1 3.02Å; E555-T558 WeakPolarHBondContact O-CB 3.41Å; E555-T558 PolarHBondContact O-N 3.39Å; E555-T558 VanDerWaalsContact O-N 3.12Å; A556-T558 VanDerWaalsContact C-N 3.34Å; A556-T558 PolarHBondContact O-N 3.35Å; T558-G560 VanDerWaalsContact C-N 3.34Å; T558-L561 PolarHBondContact O-N 3.21Å; T558-N562 WeakPolarHBondContact O-CB 3.47Å; T558-N562 VanDerWaalsContact O-CG 3.25Å; T558-N562 PolarHBondContact O-N 3.13Å; T558-N562 PolarHBondContact O-ND2 2.97Å; T558-N593 HydrophobicContact CG2-CB 3.98Å; T558-N593 WeakPolarHBondContact OG1-CB 3.45Å; T558-V594 WeakPolarHBondContact OG1-CG2 3.42Å; T558-V594 PolarHBondContact OG1-N 3.07Å; T558-L775 HydrophobicContact CG2-CD2 4.17Å |
| 559 | V | 93.4 | Very high | 91.6 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 12% | 0.115 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 176.6 | 166.1 | 0 | 0 | 0 | 0 | 110.8 | T517 L520 E555 A556 N562 A563 I772 | T517-V559 HydrophobicContact CG2-CG1 4.11Å; L520-V559 HydrophobicContact CD1-CG1 3.54Å; E555-V559 WeakPolarHBondContact O-CG2 3.44Å; E555-V559 PolarHBondContact O-N 3.25Å; A556-V559 PolarHBondContact O-N 2.98Å; V559-N562 PolarHBondContact O-N 3.18Å; V559-A563 VanDerWaalsContact O-CB 3.32Å; V559-A563 WeakPolarHBondContact O-CB 3.34Å; V559-A563 PolarHBondContact O-N 2.98Å; V559-I772 HydrophobicContact CG1-CG2 3.88Å |
| 560 | G | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -49.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A556 I557 T558 N562 A563 V564 | A556-G560 PolarHBondContact O-N 3.17Å; I557-G560 PolarHBondContact O-N 3.04Å; T558-G560 VanDerWaalsContact C-N 3.34Å; G560-N562 PolarHBondContact O-N 3.24Å; G560-A563 PolarHBondContact O-N 3.47Å; G560-V564 WeakPolarHBondContact O-CG2 3.44Å; G560-V564 PolarHBondContact O-N 2.58Å |
| 561 | L | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 178.2 | -75.6 | 168.8 | 0 | 0 | 0 | 112.7 | I548 I557 T558 R565 L583 V594 A598 | I548-L561 HydrophobicContact CD1-CD2 3.96Å; I548-L561 HydrophobicContact CD1-CG 4.15Å; I548-L561 HydrophobicContact CG1-CG 4.48Å; I557-L561 HydrophobicContact CG2-CD1 4.18Å; I557-L561 WeakPolarHBondContact O-CG 3.48Å; I557-L561 PolarHBondContact O-N 3.29Å; T558-L561 PolarHBondContact O-N 3.21Å; L561-R565 WeakPolarHBondContact O-CB 3.44Å; L561-R565 PolarHBondContact O-N 3.14Å; L561-L583 HydrophobicContact CD2-CB 4.37Å; L561-L583 HydrophobicContact CD2-CD2 4.07Å; L561-V594 HydrophobicContact CD1-CG1 3.85Å; L561-A598 HydrophobicContact CD1-CB 4.39Å |
| 562 | N | 93.7 | Very high | 91 | Very high | 5 Ų | 5 | 21.5 Ų | 21.5 | 3% | 0.027 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.3 | -41 | 176.6 | -69.6 | -17.1 | 0 | 0 | 0 | 111.4 | T558 V559 G560 R565 E566 I772 H774 | T558-N562 WeakPolarHBondContact O-CB 3.47Å; T558-N562 VanDerWaalsContact O-CG 3.25Å; T558-N562 PolarHBondContact O-N 3.13Å; T558-N562 PolarHBondContact O-ND2 2.97Å; V559-N562 PolarHBondContact O-N 3.18Å; G560-N562 PolarHBondContact O-N 3.24Å; N562-R565 WeakPolarHBondContact O-CB 3.37Å; N562-R565 PolarHBondContact O-N 2.86Å; N562-E566 WeakPolarHBondContact O-CG 3.42Å; N562-E566 PolarHBondContact O-N 3.29Å; N562-I772 WeakPolarHBondContact CB-O 3.43Å; N562-I772 PolarHBondContact ND2-O 3.42Å; N562-H774 PolarHBondContact ND2-O 3.1Å; N562-H774 VanDerWaalsContact ND2-O 3.13Å |
| 563 | A | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.1 | -45.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L520 V559 G560 R565 E566 I567 I772 | L520-A563 HydrophobicContact CB-CB 3.98Å; L520-A563 HydrophobicContact CD1-CB 4.06Å; L520-A563 HydrophobicContact CD2-CB 3.97Å; L520-A563 HydrophobicContact CG-CB 4.23Å; V559-A563 VanDerWaalsContact O-CB 3.32Å; V559-A563 WeakPolarHBondContact O-CB 3.34Å; V559-A563 PolarHBondContact O-N 2.98Å; G560-A563 PolarHBondContact O-N 3.47Å; A563-R565 VanDerWaalsContact C-N 3.3Å; A563-R565 PolarHBondContact O-N 3.42Å; A563-E566 PolarHBondContact O-N 2.9Å; A563-E566 VanDerWaalsContact O-N 3.15Å; A563-I567 WeakPolarHBondContact O-CG1 3.29Å; A563-I567 PolarHBondContact O-N 2.85Å; A563-I772 HydrophobicContact CB-CG2 4.32Å |
| 564 | V | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.1 | -43.3 | 174.8 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | V540 I543 I548 G560 E566 I567 V568 I575 L583 L601 | V540-V564 HydrophobicContact CG1-CG1 4.03Å; V540-V564 HydrophobicContact CG1-CG2 4.27Å; I543-V564 HydrophobicContact CB-CG2 4.4Å; I543-V564 HydrophobicContact CG2-CG2 3.85Å; I548-V564 HydrophobicContact CD1-CG2 4.26Å; G560-V564 WeakPolarHBondContact O-CG2 3.44Å; G560-V564 PolarHBondContact O-N 2.58Å; V564-E566 VanDerWaalsContact C-N 3.32Å; V564-E566 PolarHBondContact O-N 3.46Å; V564-I567 PolarHBondContact O-N 3.19Å; V564-V568 HydrophobicContact CG1-CG2 3.92Å; V564-V568 VanDerWaalsContact O-CB 3.26Å; V564-V568 WeakPolarHBondContact O-CB 3.3Å; V564-V568 WeakPolarHBondContact O-CG2 3.25Å; V564-V568 PolarHBondContact O-N 3.18Å; V564-I575 HydrophobicContact CG1-CD1 4.44Å; V564-L583 HydrophobicContact CG1-CD1 3.96Å; V564-L601 HydrophobicContact CG1-CD1 4.49Å |
| 565 | R | 92.1 | Very high | 90.2 | Very high | 55 Ų | 55 | 18.8 Ų | 18.8 | 21% | 0.208 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.5 | -44.2 | 175.2 | 175.6 | -170.1 | 165.2 | -153.2 | -12.9 | 112.3 | L561 N562 A563 C569 S600 L601 L604 | L561-R565 WeakPolarHBondContact O-CB 3.44Å; L561-R565 PolarHBondContact O-N 3.14Å; N562-R565 WeakPolarHBondContact O-CB 3.37Å; N562-R565 PolarHBondContact O-N 2.86Å; A563-R565 VanDerWaalsContact C-N 3.3Å; A563-R565 PolarHBondContact O-N 3.42Å; R565-C569 VanDerWaalsContact O-CB 3.27Å; R565-C569 WeakPolarHBondContact O-CB 3.4Å; R565-C569 PolarHBondContact O-N 2.92Å; R565-S600 VanDerWaalsContact CD-OG 3.25Å; R565-S600 WeakPolarHBondContact CD-OG 3.45Å; R565-L601 HydrophobicContact CB-CD1 4.04Å; R565-L604 HydrophobicContact CG-CD2 4.23Å |
| 566 | E | 89.6 | Confident | 90.1 | Very high | 20 Ų | 20 | 16.1 Ų | 16.1 | 9% | 0.093 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.9 | -38.3 | -179.9 | -72.7 | -59.9 | 139.1 | 0 | 0 | 112.4 | A524 N562 A563 V564 R570 A767 I772 | A524-E566 HydrophobicContact CB-CB 4.16Å; N562-E566 WeakPolarHBondContact O-CG 3.42Å; N562-E566 PolarHBondContact O-N 3.29Å; A563-E566 PolarHBondContact O-N 2.9Å; A563-E566 VanDerWaalsContact O-N 3.15Å; V564-E566 VanDerWaalsContact C-N 3.32Å; V564-E566 PolarHBondContact O-N 3.46Å; E566-R570 PolarHBondContact O-NH1 2.91Å; E566-R570 IonicContact OE2-NH1 3.22Å; E566-R570 PolarHBondContact OE2-NH1 2.92Å; E566-A767 HydrophobicContact CG-CB 4.48Å; E566-I772 HydrophobicContact CG-CG1 4.46Å |
| 567 | I | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.7 | -50.6 | 174.5 | -67.9 | 165.1 | 0 | 0 | 0 | 110.1 | A523 A524 V536 V540 I543 A563 V564 C569 R570 C571 | A523-I567 HydrophobicContact CB-CD1 4.31Å; A524-I567 HydrophobicContact CB-CG1 4.03Å; V536-I567 HydrophobicContact CG1-CG2 3.58Å; V540-I567 HydrophobicContact CG2-CG2 3.93Å; I543-I567 HydrophobicContact CD1-CD1 3.57Å; A563-I567 WeakPolarHBondContact O-CG1 3.29Å; A563-I567 PolarHBondContact O-N 2.85Å; V564-I567 PolarHBondContact O-N 3.19Å; I567-C569 VanDerWaalsContact C-N 3.29Å; I567-C569 PolarHBondContact O-N 3.19Å; I567-R570 WeakPolarHBondContact O-CB 3.17Å; I567-R570 PolarHBondContact O-N 3.48Å; I567-C571 PolarHBondContact O-N 3.47Å |
| 568 | V | 89.9 | Confident | 89.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71.5 | -23.8 | -174.7 | 175.1 | 0 | 0 | 0 | 0 | 112.6 | V564 R570 C571 P572 I575 L604 F605 | V564-V568 HydrophobicContact CG1-CG2 3.92Å; V564-V568 VanDerWaalsContact O-CB 3.26Å; V564-V568 WeakPolarHBondContact O-CB 3.3Å; V564-V568 WeakPolarHBondContact O-CG2 3.25Å; V564-V568 PolarHBondContact O-N 3.18Å; V568-R570 PolarHBondContact O-N 2.89Å; V568-C571 CarbonylContact O-C 3.47Å; V568-P572 WeakPolarHBondContact O-CA 3.49Å; V568-I575 HydrophobicContact CG2-CB 4.41Å; V568-L604 HydrophobicContact CG1-CD2 4.31Å; V568-F605 HydrophobicContact CG1-CE1 4.43Å; V568-F605 HydrophobicContact CG1-CE2 3.4Å; V568-F605 HydrophobicContact CG1-CZ 3.26Å |
| 569 | C | 87 | Confident | 89.4 | Confident | 33 Ų | 33 | 30 Ų | 30 | 22% | 0.223 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.1 | -27 | 170.9 | -170.2 | 0 | 0 | 0 | 0 | 112.4 | R565 I567 L604 | R565-C569 VanDerWaalsContact O-CB 3.27Å; R565-C569 WeakPolarHBondContact O-CB 3.4Å; R565-C569 PolarHBondContact O-N 2.92Å; I567-C569 VanDerWaalsContact C-N 3.29Å; I567-C569 PolarHBondContact O-N 3.19Å; C569-L604 HydrophobicContact CB-CD1 4.24Å; C569-L604 HydrophobicContact CB-CD2 4.01Å |
| 570 | R | 84.7 | Confident | 89.3 | Confident | 36 Ų | 36 | 29.1 Ų | 29.1 | 14% | 0.136 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -93.3 | -46.9 | 176.5 | -62.6 | 174.8 | 175.9 | 68.8 | 13.7 | 111 | A524 S527 E566 I567 V568 P572 K765 | A524-R570 WeakPolarHBondContact O-CD 3.48Å; A524-R570 PolarHBondContact O-NE 3.21Å; S527-R570 WeakPolarHBondContact O-CD 3.21Å; E566-R570 PolarHBondContact O-NH1 2.91Å; E566-R570 IonicContact OE2-NH1 3.22Å; E566-R570 PolarHBondContact OE2-NH1 2.92Å; I567-R570 WeakPolarHBondContact O-CB 3.17Å; I567-R570 PolarHBondContact O-N 3.48Å; V568-R570 PolarHBondContact O-N 2.89Å; R570-P572 VanDerWaalsContact O-CD 3.26Å; R570-P572 WeakPolarHBondContact O-CD 3.33Å; R570-K765 PolarHBondContact NH2-O 3.31Å |
| 571 | C | 86.1 | Confident | 89 | Confident | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | trans | -116.4 | 85.3 | 178.9 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | H528 V536 I567 V568 L573 A574 | H528-C571 PolarHBondContact N-SG 3.17Å; H528-C571 VanDerWaalsContact N-SG 3.38Å; H528-C571 PolarHBondContact O-SG 3.31Å; V536-C571 HydrophobicContact CG1-CB 4.37Å; I567-C571 PolarHBondContact O-N 3.47Å; V568-C571 CarbonylContact O-C 3.47Å; C571-L573 PolarHBondContact O-N 2.94Å; C571-A574 HydrophobicContact CB-CB 3.99Å; C571-A574 WeakPolarHBondContact O-CB 3.19Å; C571-A574 PolarHBondContact O-N 2.97Å | ||
| 572 | P | 83.9 | Confident | 88.8 | Confident | 32 Ų | 32 | 38.8 Ų | 38.8 | 21% | 0.208 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -65.4 | -26.7 | -176.9 | -23.6 | 34.3 | 0 | 0 | 0 | 114.5 | V568 R570 A574 I608 A632 | V568-P572 WeakPolarHBondContact O-CA 3.49Å; R570-P572 VanDerWaalsContact O-CD 3.26Å; R570-P572 WeakPolarHBondContact O-CD 3.33Å; P572-A574 PolarHBondContact O-N 3.29Å; P572-I608 HydrophobicContact CB-CD1 4.42Å; P572-I608 HydrophobicContact CB-CG2 3.49Å; P572-I608 VanDerWaalsContact CB-CG2 3.49Å; P572-I608 HydrophobicContact CG-CD1 4.01Å; P572-I608 HydrophobicContact CG-CG2 3.64Å; P572-A632 HydrophobicContact CB-CB 4.15Å |
| 573 | L | 84.9 | Confident | 88.8 | Confident | 68 Ų | 68 | 38.6 Ų | 38.6 | 36% | 0.356 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -75.9 | -9.2 | 179.5 | -66.4 | 177.6 | 0 | 0 | 0 | 113.5 | P533 C571 I575 A632 R633 | P533-L573 HydrophobicContact CB-CB 4.02Å; C571-L573 PolarHBondContact O-N 2.94Å; L573-I575 PolarHBondContact O-N 2.94Å; L573-A632 HydrophobicContact CD2-CB 3.55Å; L573-A632 HydrophobicContact CG-CB 4.19Å; L573-R633 VanDerWaalsContact CD1-O 3.27Å; L573-R633 WeakPolarHBondContact CD1-O 3.41Å |
| 574 | A | 86 | Confident | 88.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -79.1 | 3.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V536 E537 C571 P572 | V536-A574 HydrophobicContact CB-CB 3.64Å; V536-A574 HydrophobicContact CG1-CB 3.46Å; V536-A574 VanDerWaalsContact CG1-CB 3.46Å; E537-A574 WeakPolarHBondContact CA-O 3.27Å; E537-A574 WeakPolarHBondContact CB-O 3.48Å; C571-A574 HydrophobicContact CB-CB 3.99Å; C571-A574 WeakPolarHBondContact O-CB 3.19Å; C571-A574 PolarHBondContact O-N 2.97Å; P572-A574 PolarHBondContact O-N 3.29Å |
| 575 | I | 86.6 | Confident | 88.5 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -117.5 | 128.7 | 178 | -162.6 | 166.1 | 0 | 0 | 0 | 110.3 | V564 V568 L573 L579 M580 L583 F605 | V564-I575 HydrophobicContact CG1-CD1 4.44Å; V568-I575 HydrophobicContact CG2-CB 4.41Å; L573-I575 PolarHBondContact O-N 2.94Å; I575-L579 HydrophobicContact CD1-CG 4.39Å; I575-L579 HydrophobicContact CG1-CB 4.13Å; I575-L579 HydrophobicContact CG1-CD2 4.2Å; I575-L579 HydrophobicContact CG1-CG 4.21Å; I575-M580 HydrophobicContact CD1-CB 3.89Å; I575-M580 HydrophobicContact CD1-CG 4.47Å; I575-M580 HydrophobicContact CD1-SD 3.92Å; I575-M580 HydrophobicContact CG1-CB 4.12Å; I575-M580 HydrophobicContact CG2-CB 4.24Å; I575-L583 HydrophobicContact CD1-CD1 3.91Å; I575-F605 HydrophobicContact CG2-CE1 3.92Å; I575-F605 HydrophobicContact CG2-CE2 4.05Å; I575-F605 HydrophobicContact CG2-CZ 3.28Å |
| 576 | S | 87.2 | Confident | 88.6 | Confident | 33 Ų | 33 | 40.4 Ų | 40.4 | 23% | 0.231 | 22% | 0.217 | C | C | . | . | trans | -67.1 | 150.4 | 171.1 | 69.2 | 0 | 0 | 0 | 0 | 110.7 | E537 E578 L579 M580 | E537-S576 WeakPolarHBondContact OE1-CB 3.41Å; S576-E578 PolarHBondContact O-N 2.62Å; S576-L579 PolarHBondContact O-N 2.8Å; S576-L579 VanDerWaalsContact OG-CB 3.23Å; S576-L579 WeakPolarHBondContact OG-CB 3.38Å; S576-L579 PolarHBondContact OG-N 3.44Å; S576-M580 PolarHBondContact O-N 3.1Å | ||
| 577 | F | 85.7 | Confident | 88.6 | Confident | 124 Ų | 124 | 42.4 Ų | 42.4 | 54% | 0.544 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.6 | -37.6 | 178.6 | -65.1 | -61.8 | 0 | 0 | 0 | 112.4 | Q581 A612 | F577-Q581 VanDerWaalsContact O-CG 3.3Å; F577-Q581 WeakPolarHBondContact O-CG 3.26Å; F577-Q581 PolarHBondContact O-N 3.36Å; F577-Q581 VanDerWaalsContact O-N 3.15Å; F577-A612 HydrophobicContact CD1-CB 3.64Å; F577-A612 HydrophobicContact CE1-CB 3.72Å |
| 578 | E | 88.8 | Confident | 88.6 | Confident | 161 Ų | 161 | 51.8 Ų | 51.8 | 75% | 0.752 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.9 | -49.1 | 177.8 | -61.1 | -176.2 | 165.3 | 0 | 0 | 111.3 | S576 M580 Q581 D582 | S576-E578 PolarHBondContact O-N 2.62Å; E578-M580 VanDerWaalsContact C-N 3.31Å; E578-M580 PolarHBondContact O-N 3.04Å; E578-Q581 PolarHBondContact O-N 3.2Å; E578-D582 PolarHBondContact O-N 3.14Å |
| 579 | L | 91.2 | Very high | 88.7 | Confident | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 180 | -174.5 | 60.2 | 0 | 0 | 0 | 111.2 | V540 A544 I575 S576 Q581 D582 L583 | V540-L579 HydrophobicContact CG1-CD2 3.88Å; A544-L579 HydrophobicContact CB-CD1 3.84Å; A544-L579 HydrophobicContact CB-CD2 4.32Å; I575-L579 HydrophobicContact CD1-CG 4.39Å; I575-L579 HydrophobicContact CG1-CB 4.13Å; I575-L579 HydrophobicContact CG1-CD2 4.2Å; I575-L579 HydrophobicContact CG1-CG 4.21Å; S576-L579 PolarHBondContact O-N 2.8Å; S576-L579 VanDerWaalsContact OG-CB 3.23Å; S576-L579 WeakPolarHBondContact OG-CB 3.38Å; S576-L579 PolarHBondContact OG-N 3.44Å; L579-Q581 VanDerWaalsContact C-N 3.34Å; L579-Q581 PolarHBondContact O-N 3.32Å; L579-D582 PolarHBondContact O-N 2.92Å; L579-L583 HydrophobicContact CD1-CG 4.43Å; L579-L583 HydrophobicContact CG-CD1 4.48Å; L579-L583 HydrophobicContact CG-CG 4.46Å; L579-L583 VanDerWaalsContact O-CG 3.3Å; L579-L583 WeakPolarHBondContact O-CG 3.46Å; L579-L583 PolarHBondContact O-N 2.98Å |
| 580 | M | 89.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 176.9 | -175.8 | 53 | -144.7 | 0 | 0 | 112.6 | I575 S576 E578 A584 L601 I602 F605 L613 | I575-M580 HydrophobicContact CD1-CB 3.89Å; I575-M580 HydrophobicContact CD1-CG 4.47Å; I575-M580 HydrophobicContact CD1-SD 3.92Å; I575-M580 HydrophobicContact CG1-CB 4.12Å; I575-M580 HydrophobicContact CG2-CB 4.24Å; S576-M580 PolarHBondContact O-N 3.1Å; E578-M580 VanDerWaalsContact C-N 3.31Å; E578-M580 PolarHBondContact O-N 3.04Å; M580-A584 HydrophobicContact CE-CB 4.38Å; M580-A584 WeakPolarHBondContact O-CB 3.48Å; M580-A584 PolarHBondContact O-N 3.49Å; M580-L601 HydrophobicContact CE-CB 4.43Å; M580-L601 HydrophobicContact CE-CD2 3.85Å; M580-L601 HydrophobicContact CE-CG 3.74Å; M580-L601 HydrophobicContact SD-CD2 3.58Å; M580-L601 VanDerWaalsContact SD-CD2 3.58Å; M580-L601 HydrophobicContact SD-CG 3.79Å; M580-I602 HydrophobicContact CE-CG1 4.27Å; M580-F605 HydrophobicContact CE-CD2 3.74Å; M580-F605 HydrophobicContact CE-CE2 4.37Å; M580-F605 HydrophobicContact CE-CG 4.31Å; M580-F605 HydrophobicContact CG-CD2 4.2Å; M580-F605 HydrophobicContact CG-CE2 4.26Å; M580-F605 HydrophobicContact CG-CG 4.4Å; M580-F605 HydrophobicContact SD-CD2 3.49Å; M580-F605 WeakPolarHBondContact SD-CD2 3.32Å; M580-F605 HydrophobicContact SD-CE2 3.52Å; M580-F605 VanDerWaalsContact SD-CE2 3.52Å; M580-F605 HydrophobicContact SD-CG 4.24Å; M580-F605 HydrophobicContact SD-CZ 4.33Å; M580-L613 HydrophobicContact CE-CD2 3.54Å; M580-L613 HydrophobicContact CG-CD2 4.38Å |
| 581 | Q | 88.1 | Confident | 89 | Confident | 104 Ų | 104 | 65 Ų | 65 | 49% | 0.486 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 176 | -71.6 | 175.8 | 27.5 | 0 | 0 | 111.8 | F577 E578 L579 A584 G585 | F577-Q581 VanDerWaalsContact O-CG 3.3Å; F577-Q581 WeakPolarHBondContact O-CG 3.26Å; F577-Q581 PolarHBondContact O-N 3.36Å; F577-Q581 VanDerWaalsContact O-N 3.15Å; E578-Q581 PolarHBondContact O-N 3.2Å; L579-Q581 VanDerWaalsContact C-N 3.34Å; L579-Q581 PolarHBondContact O-N 3.32Å; Q581-A584 PolarHBondContact O-N 2.97Å; Q581-G585 PolarHBondContact O-N 3.25Å |
| 582 | D | 91.1 | Very high | 89.2 | Confident | 100 Ų | 100 | 70.7 Ų | 70.7 | 54% | 0.535 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.2 | -50 | 174.5 | -175.2 | 36 | 0 | 0 | 0 | 111.5 | E578 L579 A584 G585 | E578-D582 PolarHBondContact O-N 3.14Å; L579-D582 PolarHBondContact O-N 2.92Å; D582-A584 VanDerWaalsContact C-N 3.26Å; D582-A584 PolarHBondContact O-N 3.21Å; D582-G585 WeakPolarHBondContact O-CA 3.27Å; D582-G585 PolarHBondContact O-N 3.03Å |
| 583 | L | 92.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.6 | -32.7 | 176.3 | -64.9 | -172.5 | 0 | 0 | 0 | 112.9 | I548 L561 V564 I575 L579 G585 Y586 L601 | I548-L583 HydrophobicContact CB-CD2 4.34Å; I548-L583 HydrophobicContact CD1-CD1 4.46Å; I548-L583 HydrophobicContact CD1-CD2 3.57Å; I548-L583 HydrophobicContact CG2-CD2 3.74Å; L561-L583 HydrophobicContact CD2-CB 4.37Å; L561-L583 HydrophobicContact CD2-CD2 4.07Å; V564-L583 HydrophobicContact CG1-CD1 3.96Å; I575-L583 HydrophobicContact CD1-CD1 3.91Å; L579-L583 HydrophobicContact CD1-CG 4.43Å; L579-L583 HydrophobicContact CG-CD1 4.48Å; L579-L583 HydrophobicContact CG-CG 4.46Å; L579-L583 VanDerWaalsContact O-CG 3.3Å; L579-L583 WeakPolarHBondContact O-CG 3.46Å; L579-L583 PolarHBondContact O-N 2.98Å; L583-G585 VanDerWaalsContact C-N 3.25Å; L583-G585 PolarHBondContact O-N 3.3Å; L583-Y586 PolarHBondContact O-N 3.14Å; L583-L601 HydrophobicContact CB-CD2 3.95Å; L583-L601 HydrophobicContact CD1-CD2 3.82Å |
| 584 | A | 91.3 | Very high | 90 | Very high | 8 Ų | 8 | 66.6 Ų | 66.6 | 7% | 0.066 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.4 | -26.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M580 Q581 D582 Y586 K587 I602 | M580-A584 HydrophobicContact CE-CB 4.38Å; M580-A584 WeakPolarHBondContact O-CB 3.48Å; M580-A584 PolarHBondContact O-N 3.49Å; Q581-A584 PolarHBondContact O-N 2.97Å; D582-A584 VanDerWaalsContact C-N 3.26Å; D582-A584 PolarHBondContact O-N 3.21Å; A584-Y586 PolarHBondContact O-N 2.84Å; A584-K587 WeakPolarHBondContact O-CB 3.45Å; A584-K587 PolarHBondContact O-N 3.08Å; A584-K587 VanDerWaalsContact O-N 3.11Å; A584-I602 HydrophobicContact CB-CD1 3.98Å; A584-I602 HydrophobicContact CB-CG1 4.02Å |
| 585 | G | 90.8 | Very high | 90.3 | Very high | 55 Ų | 55 | 67 Ų | 67 | 57% | 0.567 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -57.1 | -33.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q581 D582 L583 K587 K588 | Q581-G585 PolarHBondContact O-N 3.25Å; D582-G585 WeakPolarHBondContact O-CA 3.27Å; D582-G585 PolarHBondContact O-N 3.03Å; L583-G585 VanDerWaalsContact C-N 3.25Å; L583-G585 PolarHBondContact O-N 3.3Å; G585-K587 PolarHBondContact O-N 2.94Å; G585-K588 PolarHBondContact O-N 3.29Å |
| 586 | Y | 92.7 | Very high | 90.6 | Very high | 30 Ų | 30 | 68.8 Ų | 68.8 | 12% | 0.118 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -65.5 | -6.6 | 177.7 | -73.6 | -86.2 | 0 | 0 | 0 | 114.4 | I548 I557 L583 A584 K588 Y589 V594 A595 | I548-Y586 HydrophobicContact CG2-CD2 4.14Å; I548-Y586 HydrophobicContact CG2-CE1 4.39Å; I548-Y586 HydrophobicContact CG2-CE2 3.5Å; I548-Y586 VanDerWaalsContact CG2-CE2 3.5Å; I548-Y586 PolarHBondContact O-OH 3.03Å; I557-Y586 HydrophobicContact CG2-CE1 4.4Å; L583-Y586 PolarHBondContact O-N 3.14Å; A584-Y586 PolarHBondContact O-N 2.84Å; Y586-K588 PolarHBondContact O-N 2.64Å; Y586-K588 VanDerWaalsContact O-N 3.13Å; Y586-Y589 AromaticContact CD1-CD2 3.66Å; Y586-Y589 HydrophobicContact CD1-CD2 3.66Å; Y586-Y589 HydrophobicContact CD1-CE2 4.15Å; Y586-Y589 HydrophobicContact CD1-CG 4.16Å; Y586-Y589 HydrophobicContact CE1-CD2 4.02Å; Y586-Y589 HydrophobicContact CE1-CE2 4.06Å; Y586-Y589 WeakPolarHBondContact O-CB 3.44Å; Y586-Y589 PolarHBondContact O-N 3.36Å; Y586-V594 HydrophobicContact CD1-CG1 3.68Å; Y586-V594 HydrophobicContact CG-CG1 4.22Å; Y586-A595 WeakPolarHBondContact O-CA 3.49Å |
| 587 | K | 91.4 | Very high | 90.8 | Very high | 61 Ų | 61 | 67.2 Ų | 67.2 | 27% | 0.265 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -54.6 | -29.8 | 173.9 | 177 | -174 | 179.9 | -174 | 0 | 113.9 | A584 G585 R599 I602 D617 | A584-K587 WeakPolarHBondContact O-CB 3.45Å; A584-K587 PolarHBondContact O-N 3.08Å; A584-K587 VanDerWaalsContact O-N 3.11Å; G585-K587 PolarHBondContact O-N 2.94Å; K587-R599 HydrophobicContact CG-CG 3.98Å; K587-I602 HydrophobicContact CB-CD1 4.13Å; K587-I602 HydrophobicContact CD-CD1 3.89Å; K587-I602 HydrophobicContact CG-CD1 4.34Å; K587-D617 IonicContact NZ-OD1 2.69Å; K587-D617 PolarHBondContact NZ-OD1 3.1Å |
| 588 | K | 90.6 | Very high | 91.1 | Very high | 197 Ų | 197 | 61.3 Ų | 61.3 | 86% | 0.857 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -100.2 | 8.6 | 179.4 | -66.3 | -175.9 | -179.3 | 179.8 | 0 | 113.4 | G585 Y586 | G585-K588 PolarHBondContact O-N 3.29Å; Y586-K588 PolarHBondContact O-N 2.64Å; Y586-K588 VanDerWaalsContact O-N 3.13Å |
| 589 | Y | 91.3 | Very high | 91.3 | Very high | 69 Ų | 69 | 59 Ų | 59 | 27% | 0.271 | 28% | 0.283 | S | S | . | . | trans | -61.9 | 144.5 | -177.7 | -161.1 | -97.8 | 0 | 0 | 0 | 112.1 | Y586 N591 V594 | Y586-Y589 AromaticContact CD1-CD2 3.66Å; Y586-Y589 HydrophobicContact CD1-CD2 3.66Å; Y586-Y589 HydrophobicContact CD1-CE2 4.15Å; Y586-Y589 HydrophobicContact CD1-CG 4.16Å; Y586-Y589 HydrophobicContact CE1-CD2 4.02Å; Y586-Y589 HydrophobicContact CE1-CE2 4.06Å; Y586-Y589 WeakPolarHBondContact O-CB 3.44Å; Y586-Y589 PolarHBondContact O-N 3.36Å; Y589-N591 VanDerWaalsContact C-N 3.26Å; Y589-N591 HydrophobicContact CD1-CB 3.88Å; Y589-N591 HydrophobicContact CE1-CB 4.02Å; Y589-N591 PolarHBondContact O-N 3.19Å; Y589-V594 HydrophobicContact CD1-CB 3.68Å; Y589-V594 HydrophobicContact CD1-CG1 3.7Å; Y589-V594 HydrophobicContact CD1-CG2 4.01Å; Y589-V594 HydrophobicContact CD2-CG1 4.44Å; Y589-V594 HydrophobicContact CE1-CB 4.31Å; Y589-V594 HydrophobicContact CE1-CG1 4.34Å; Y589-V594 HydrophobicContact CE1-CG2 4.14Å; Y589-V594 HydrophobicContact CG-CB 4.2Å; Y589-V594 HydrophobicContact CG-CG1 3.76Å | ||
| 590 | K | 89.3 | Confident | 91.3 | Very high | 209 Ų | 209 | 59 Ų | 59 | 91% | 0.909 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -56.6 | -39.9 | -175 | -68.5 | 179.2 | -179.3 | 174.2 | 0 | 112.2 | ||
| 591 | N | 89.9 | Confident | 91.3 | Very high | 69 Ų | 69 | 59 Ų | 59 | 37% | 0.369 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -78.7 | 124.5 | 178.3 | -73.1 | -41.8 | 0 | 0 | 0 | 111.8 | S554 Y589 N593 V594 A595 | S554-N591 WeakPolarHBondContact CB-ND2 3.1Å; Y589-N591 VanDerWaalsContact C-N 3.26Å; Y589-N591 HydrophobicContact CD1-CB 3.88Å; Y589-N591 HydrophobicContact CE1-CB 4.02Å; Y589-N591 PolarHBondContact O-N 3.19Å; N591-N593 PolarHBondContact O-N 3.19Å; N591-V594 HydrophobicContact CB-CG2 4.28Å; N591-V594 PolarHBondContact O-N 3.49Å; N591-A595 PolarHBondContact O-N 3.41Å; N591-A595 VanDerWaalsContact O-N 3.07Å |
| 592 | K | 90.6 | Very high | 91.4 | Very high | 128 Ų | 128 | 54.1 Ų | 54.1 | 56% | 0.557 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58.9 | -34.2 | -179.5 | -171.6 | 177.5 | 179.9 | -176.2 | 0 | 112.7 | M596 | K592-M596 HydrophobicContact CG-CG 4.13Å; K592-M596 VanDerWaalsContact O-CB 3.32Å; K592-M596 WeakPolarHBondContact O-CB 3.28Å; K592-M596 WeakPolarHBondContact O-CG 3.27Å; K592-M596 PolarHBondContact O-N 3.06Å |
| 593 | N | 91.6 | Very high | 91.2 | Very high | 15 Ų | 15 | 53.7 Ų | 53.7 | 8% | 0.08 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.2 | -53.1 | -178.5 | -67.8 | -19.2 | 0 | 0 | 0 | 111.5 | T558 N591 A595 M596 G597 L775 H776 K777 | T558-N593 HydrophobicContact CG2-CB 3.98Å; T558-N593 WeakPolarHBondContact OG1-CB 3.45Å; N591-N593 PolarHBondContact O-N 3.19Å; N593-A595 PolarHBondContact O-N 3.39Å; N593-M596 PolarHBondContact O-N 2.93Å; N593-G597 PolarHBondContact O-N 3.48Å; N593-L775 HydrophobicContact CB-CD2 4.2Å; N593-L775 WeakPolarHBondContact ND2-CD2 3.23Å; N593-H776 PolarHBondContact OD1-N 3.4Å; N593-K777 PolarHBondContact ND2-O 3.38Å; N593-K777 WeakPolarHBondContact OD1-CA 3.49Å; N593-K777 WeakPolarHBondContact OD1-CB 3.23Å; N593-K777 PolarHBondContact OD1-N 3.44Å; N593-K777 PolarHBondContact OD1-O 3.32Å |
| 594 | V | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58 | -47.9 | 175 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | S554 I557 T558 L561 Y586 Y589 N591 M596 G597 A598 | S554-V594 WeakPolarHBondContact O-CG2 3.14Å; I557-V594 HydrophobicContact CB-CG2 4.05Å; I557-V594 HydrophobicContact CG2-CB 4.42Å; I557-V594 HydrophobicContact CG2-CG1 3.7Å; I557-V594 HydrophobicContact CG2-CG2 3.87Å; T558-V594 WeakPolarHBondContact OG1-CG2 3.42Å; T558-V594 PolarHBondContact OG1-N 3.07Å; L561-V594 HydrophobicContact CD1-CG1 3.85Å; Y586-V594 HydrophobicContact CD1-CG1 3.68Å; Y586-V594 HydrophobicContact CG-CG1 4.22Å; Y589-V594 HydrophobicContact CD1-CB 3.68Å; Y589-V594 HydrophobicContact CD1-CG1 3.7Å; Y589-V594 HydrophobicContact CD1-CG2 4.01Å; Y589-V594 HydrophobicContact CD2-CG1 4.44Å; Y589-V594 HydrophobicContact CE1-CB 4.31Å; Y589-V594 HydrophobicContact CE1-CG1 4.34Å; Y589-V594 HydrophobicContact CE1-CG2 4.14Å; Y589-V594 HydrophobicContact CG-CB 4.2Å; Y589-V594 HydrophobicContact CG-CG1 3.76Å; N591-V594 HydrophobicContact CB-CG2 4.28Å; N591-V594 PolarHBondContact O-N 3.49Å; V594-M596 VanDerWaalsContact C-N 3.28Å; V594-M596 PolarHBondContact O-N 2.87Å; V594-G597 PolarHBondContact O-N 3.43Å; V594-G597 VanDerWaalsContact O-N 3.16Å; V594-A598 PolarHBondContact O-N 2.88Å |
| 595 | A | 92.9 | Very high | 90.6 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 7% | 0.066 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -35.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y586 N591 N593 R599 | Y586-A595 WeakPolarHBondContact O-CA 3.49Å; N591-A595 PolarHBondContact O-N 3.41Å; N591-A595 VanDerWaalsContact O-N 3.07Å; N593-A595 PolarHBondContact O-N 3.39Å; A595-R599 WeakPolarHBondContact O-CB 3.4Å; A595-R599 WeakPolarHBondContact O-CD 3.29Å; A595-R599 WeakPolarHBondContact O-CG 3.48Å; A595-R599 PolarHBondContact O-N 3.16Å |
| 596 | M | 91.8 | Very high | 90.3 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -74.3 | -38.1 | 175.6 | -72.3 | -60.3 | -54.3 | 0 | 0 | 112.2 | K592 N593 V594 R599 S600 H776 | K592-M596 HydrophobicContact CG-CG 4.13Å; K592-M596 VanDerWaalsContact O-CB 3.32Å; K592-M596 WeakPolarHBondContact O-CB 3.28Å; K592-M596 WeakPolarHBondContact O-CG 3.27Å; K592-M596 PolarHBondContact O-N 3.06Å; N593-M596 PolarHBondContact O-N 2.93Å; V594-M596 VanDerWaalsContact C-N 3.28Å; V594-M596 PolarHBondContact O-N 2.87Å; M596-R599 PolarHBondContact O-N 2.93Å; M596-S600 WeakPolarHBondContact O-CB 3.3Å; M596-S600 PolarHBondContact O-N 3.35Å; M596-H776 HydrophobicContact CB-CB 4.37Å; M596-H776 WeakPolarHBondContact CB-CD2 3.45Å; M596-H776 HydrophobicContact CG-CB 4.28Å |
| 597 | G | 91.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.7 | -52.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N593 V594 R599 S600 L601 | N593-G597 PolarHBondContact O-N 3.48Å; V594-G597 PolarHBondContact O-N 3.43Å; V594-G597 VanDerWaalsContact O-N 3.16Å; G597-R599 PolarHBondContact O-N 3.35Å; G597-S600 WeakPolarHBondContact O-CB 3.42Å; G597-S600 PolarHBondContact O-N 3.46Å; G597-S600 VanDerWaalsContact O-N 3.1Å; G597-S600 PolarHBondContact O-OG 3.47Å; G597-L601 PolarHBondContact O-N 3.36Å |
| 598 | A | 93.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L561 V594 S600 L601 I602 | L561-A598 HydrophobicContact CD1-CB 4.39Å; V594-A598 PolarHBondContact O-N 2.88Å; A598-S600 VanDerWaalsContact C-N 3.28Å; A598-S600 PolarHBondContact O-N 2.99Å; A598-L601 PolarHBondContact O-N 3.39Å; A598-I602 WeakPolarHBondContact O-CG1 3.46Å; A598-I602 PolarHBondContact O-N 3.14Å |
| 599 | R | 91.8 | Very high | 88.2 | Confident | 112 Ų | 112 | 49.7 Ų | 49.7 | 42% | 0.423 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.5 | -38.2 | 174.7 | -75.9 | 168.6 | -169.9 | -166.5 | 0.6 | 112.1 | K587 A595 M596 G597 L601 I602 H603 | K587-R599 HydrophobicContact CG-CG 3.98Å; A595-R599 WeakPolarHBondContact O-CB 3.4Å; A595-R599 WeakPolarHBondContact O-CD 3.29Å; A595-R599 WeakPolarHBondContact O-CG 3.48Å; A595-R599 PolarHBondContact O-N 3.16Å; M596-R599 PolarHBondContact O-N 2.93Å; G597-R599 PolarHBondContact O-N 3.35Å; R599-L601 VanDerWaalsContact C-N 3.35Å; R599-I602 PolarHBondContact O-N 2.96Å; R599-H603 PolarHBondContact O-N 3.19Å; R599-H603 PolarHBondContact O-ND1 3.38Å |
| 600 | S | 90.6 | Very high | 87.7 | Confident | 20 Ų | 20 | 48 Ų | 48 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.8 | -38.8 | -180 | 74.2 | 0 | 0 | 0 | 0 | 111.9 | R565 M596 G597 A598 H603 L604 | R565-S600 VanDerWaalsContact CD-OG 3.25Å; R565-S600 WeakPolarHBondContact CD-OG 3.45Å; M596-S600 WeakPolarHBondContact O-CB 3.3Å; M596-S600 PolarHBondContact O-N 3.35Å; G597-S600 WeakPolarHBondContact O-CB 3.42Å; G597-S600 PolarHBondContact O-N 3.46Å; G597-S600 VanDerWaalsContact O-N 3.1Å; G597-S600 PolarHBondContact O-OG 3.47Å; A598-S600 VanDerWaalsContact C-N 3.28Å; A598-S600 PolarHBondContact O-N 2.99Å; S600-H603 PolarHBondContact O-N 2.96Å; S600-L604 PolarHBondContact O-N 3.46Å; S600-L604 VanDerWaalsContact O-N 3.12Å |
| 601 | L | 90 | Very high | 87.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -44 | 172.8 | -169.3 | 67.1 | 0 | 0 | 0 | 111.8 | V564 R565 M580 L583 G597 A598 R599 H603 L604 F605 | V564-L601 HydrophobicContact CG1-CD1 4.49Å; R565-L601 HydrophobicContact CB-CD1 4.04Å; M580-L601 HydrophobicContact CE-CB 4.43Å; M580-L601 HydrophobicContact CE-CD2 3.85Å; M580-L601 HydrophobicContact CE-CG 3.74Å; M580-L601 HydrophobicContact SD-CD2 3.58Å; M580-L601 VanDerWaalsContact SD-CD2 3.58Å; M580-L601 HydrophobicContact SD-CG 3.79Å; L583-L601 HydrophobicContact CB-CD2 3.95Å; L583-L601 HydrophobicContact CD1-CD2 3.82Å; G597-L601 PolarHBondContact O-N 3.36Å; A598-L601 PolarHBondContact O-N 3.39Å; R599-L601 VanDerWaalsContact C-N 3.35Å; L601-H603 VanDerWaalsContact C-N 3.3Å; L601-H603 PolarHBondContact O-N 2.94Å; L601-L604 WeakPolarHBondContact O-CB 3.15Å; L601-L604 PolarHBondContact O-N 3.28Å; L601-L604 VanDerWaalsContact O-N 3.14Å; L601-F605 HydrophobicContact CD1-CD2 4.28Å; L601-F605 HydrophobicContact CD1-CE2 4.01Å; L601-F605 HydrophobicContact CG-CD2 4.25Å; L601-F605 HydrophobicContact CG-CE2 4.31Å; L601-F605 PolarHBondContact O-N 3.46Å |
| 602 | I | 89.9 | Confident | 86.9 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -42.7 | 174.8 | -67 | 167.1 | 0 | 0 | 0 | 111.1 | M580 A584 K587 A598 R599 L604 F605 R606 L613 D617 | M580-I602 HydrophobicContact CE-CG1 4.27Å; A584-I602 HydrophobicContact CB-CD1 3.98Å; A584-I602 HydrophobicContact CB-CG1 4.02Å; K587-I602 HydrophobicContact CB-CD1 4.13Å; K587-I602 HydrophobicContact CD-CD1 3.89Å; K587-I602 HydrophobicContact CG-CD1 4.34Å; A598-I602 WeakPolarHBondContact O-CG1 3.46Å; A598-I602 PolarHBondContact O-N 3.14Å; R599-I602 PolarHBondContact O-N 2.96Å; I602-L604 VanDerWaalsContact C-N 3.3Å; I602-L604 PolarHBondContact O-N 2.89Å; I602-F605 PolarHBondContact O-N 3.07Å; I602-R606 HydrophobicContact CG2-CG 4.46Å; I602-R606 VanDerWaalsContact O-CG 3.3Å; I602-R606 WeakPolarHBondContact O-CG 3.37Å; I602-R606 PolarHBondContact O-N 3.31Å; I602-L613 HydrophobicContact CG1-CD2 4.29Å; I602-L613 HydrophobicContact CG2-CD1 4.09Å; I602-L613 HydrophobicContact CG2-CD2 4.4Å; I602-D617 HydrophobicContact CG2-CB 4.18Å |
| 603 | H | 88.1 | Confident | 86.7 | Confident | 91 Ų | 91 | 34.5 Ų | 34.5 | 42% | 0.421 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -66.5 | -32.3 | 179.1 | -76.6 | 64.6 | 0 | 0 | 0 | 112.7 | R599 S600 L601 | R599-H603 PolarHBondContact O-N 3.19Å; R599-H603 PolarHBondContact O-ND1 3.38Å; S600-H603 PolarHBondContact O-N 2.96Å; L601-H603 VanDerWaalsContact C-N 3.3Å; L601-H603 PolarHBondContact O-N 2.94Å |
| 604 | L | 84.9 | Confident | 86.3 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 8% | 0.084 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.7 | -51.5 | 173 | -175.3 | 69.2 | 0 | 0 | 0 | 110.5 | R565 V568 C569 S600 L601 I602 R606 R607 I608 | R565-L604 HydrophobicContact CG-CD2 4.23Å; V568-L604 HydrophobicContact CG1-CD2 4.31Å; C569-L604 HydrophobicContact CB-CD1 4.24Å; C569-L604 HydrophobicContact CB-CD2 4.01Å; S600-L604 PolarHBondContact O-N 3.46Å; S600-L604 VanDerWaalsContact O-N 3.12Å; L601-L604 WeakPolarHBondContact O-CB 3.15Å; L601-L604 PolarHBondContact O-N 3.28Å; L601-L604 VanDerWaalsContact O-N 3.14Å; I602-L604 VanDerWaalsContact C-N 3.3Å; I602-L604 PolarHBondContact O-N 2.89Å; L604-R606 VanDerWaalsContact C-N 3.32Å; L604-R606 PolarHBondContact O-N 2.92Å; L604-R607 WeakPolarHBondContact O-CB 3.47Å; L604-R607 PolarHBondContact O-N 3.41Å; L604-I608 HydrophobicContact CD1-CD1 3.66Å; L604-I608 HydrophobicContact CD1-CG1 4.44Å; L604-I608 HydrophobicContact CD2-CD1 4.38Å; L604-I608 HydrophobicContact CG-CD1 3.73Å; L604-I608 PolarHBondContact O-N 3.4Å; L604-I608 VanDerWaalsContact O-N 3.08Å |
| 605 | F | 86.3 | Confident | 85.9 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.8 | -28.4 | -179.9 | -86.5 | -81.1 | 0 | 0 | 0 | 114.3 | V568 I575 M580 L601 I602 R607 I608 N609 P610 A612 L613 | V568-F605 HydrophobicContact CG1-CE1 4.43Å; V568-F605 HydrophobicContact CG1-CE2 3.4Å; V568-F605 HydrophobicContact CG1-CZ 3.26Å; I575-F605 HydrophobicContact CG2-CE1 3.92Å; I575-F605 HydrophobicContact CG2-CE2 4.05Å; I575-F605 HydrophobicContact CG2-CZ 3.28Å; M580-F605 HydrophobicContact CE-CD2 3.74Å; M580-F605 HydrophobicContact CE-CE2 4.37Å; M580-F605 HydrophobicContact CE-CG 4.31Å; M580-F605 HydrophobicContact CG-CD2 4.2Å; M580-F605 HydrophobicContact CG-CE2 4.26Å; M580-F605 HydrophobicContact CG-CG 4.4Å; M580-F605 HydrophobicContact SD-CD2 3.49Å; M580-F605 WeakPolarHBondContact SD-CD2 3.32Å; M580-F605 HydrophobicContact SD-CE2 3.52Å; M580-F605 VanDerWaalsContact SD-CE2 3.52Å; M580-F605 HydrophobicContact SD-CG 4.24Å; M580-F605 HydrophobicContact SD-CZ 4.33Å; L601-F605 HydrophobicContact CD1-CD2 4.28Å; L601-F605 HydrophobicContact CD1-CE2 4.01Å; L601-F605 HydrophobicContact CG-CD2 4.25Å; L601-F605 HydrophobicContact CG-CE2 4.31Å; L601-F605 PolarHBondContact O-N 3.46Å; I602-F605 PolarHBondContact O-N 3.07Å; F605-R607 PolarHBondContact O-N 3.49Å; F605-I608 PolarHBondContact O-N 2.96Å; F605-N609 HydrophobicContact CD1-CB 4.26Å; F605-N609 CarbonylContact O-C 3.54Å; F605-N609 PolarHBondContact O-N 3.47Å; F605-P610 VanDerWaalsContact O-N 3.13Å; F605-A612 HydrophobicContact CD1-CB 4.01Å; F605-A612 HydrophobicContact CE1-CB 4.34Å; F605-L613 HydrophobicContact CB-CD1 3.78Å; F605-L613 HydrophobicContact CB-CD2 4.11Å; F605-L613 HydrophobicContact CB-CG 3.85Å |
| 606 | R | 84.6 | Confident | 85.5 | Confident | 62 Ų | 62 | 53.2 Ų | 53.2 | 23% | 0.234 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.4 | -28.8 | 170.3 | -76 | 176.6 | -176.2 | 176 | -5 | 113.2 | I602 L604 L613 D617 R618 | I602-R606 HydrophobicContact CG2-CG 4.46Å; I602-R606 VanDerWaalsContact O-CG 3.3Å; I602-R606 WeakPolarHBondContact O-CG 3.37Å; I602-R606 PolarHBondContact O-N 3.31Å; L604-R606 VanDerWaalsContact C-N 3.32Å; L604-R606 PolarHBondContact O-N 2.92Å; R606-L613 HydrophobicContact CG-CD1 3.78Å; R606-D617 VanDerWaalsContact CZ-O 3.23Å; R606-D617 PolarHBondContact NE-O 3.18Å; R606-D617 PolarHBondContact NH2-O 3.14Å; R606-R618 WeakPolarHBondContact CG-O 3.49Å |
| 607 | R | 75.5 | Confident | 85.1 | Confident | 133 Ų | 133 | 51.9 Ų | 51.9 | 50% | 0.502 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -90.6 | -37.9 | 178.4 | -65.1 | 179.6 | 67.8 | -158.4 | -0.1 | 112.7 | L604 F605 S630 L759 | L604-R607 WeakPolarHBondContact O-CB 3.47Å; L604-R607 PolarHBondContact O-N 3.41Å; F605-R607 PolarHBondContact O-N 3.49Å; R607-S630 PolarHBondContact O-OG 3.22Å; R607-L759 PolarHBondContact NH1-O 3.14Å |
| 608 | I | 77.7 | Confident | 84.6 | Confident | 36 Ų | 36 | 56.7 Ų | 56.7 | 19% | 0.185 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -93.9 | -45.4 | -170.9 | -56.7 | 176.9 | 0 | 0 | 0 | 113.2 | P572 L604 F605 S630 A632 | P572-I608 HydrophobicContact CB-CD1 4.42Å; P572-I608 HydrophobicContact CB-CG2 3.49Å; P572-I608 VanDerWaalsContact CB-CG2 3.49Å; P572-I608 HydrophobicContact CG-CD1 4.01Å; P572-I608 HydrophobicContact CG-CG2 3.64Å; L604-I608 HydrophobicContact CD1-CD1 3.66Å; L604-I608 HydrophobicContact CD1-CG1 4.44Å; L604-I608 HydrophobicContact CD2-CD1 4.38Å; L604-I608 HydrophobicContact CG-CD1 3.73Å; L604-I608 PolarHBondContact O-N 3.4Å; L604-I608 VanDerWaalsContact O-N 3.08Å; F605-I608 PolarHBondContact O-N 2.96Å; I608-S630 CarbonylContact O-C 3.59Å; I608-S630 VanDerWaalsContact O-CB 3.23Å; I608-S630 WeakPolarHBondContact O-CB 3.15Å; I608-S630 PolarHBondContact O-OG 3.48Å; I608-A632 HydrophobicContact CG2-CB 4.4Å |
| 609 | N | 78.1 | Confident | 83.7 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | trans | -155.2 | 85 | -179.1 | -173.9 | -6.4 | 0 | 0 | 0 | 110 | F605 K611 A612 S630 A632 | F605-N609 HydrophobicContact CD1-CB 4.26Å; F605-N609 CarbonylContact O-C 3.54Å; F605-N609 PolarHBondContact O-N 3.47Å; N609-K611 PolarHBondContact O-N 2.96Å; N609-K611 WeakPolarHBondContact OD1-CB 3.45Å; N609-K611 PolarHBondContact OD1-N 3Å; N609-A612 WeakPolarHBondContact O-CB 3.37Å; N609-A612 PolarHBondContact O-N 3.36Å; N609-A612 PolarHBondContact OD1-N 3.13Å; N609-S630 WeakPolarHBondContact CA-O 3.42Å; N609-A632 HydrophobicContact CB-CB 4.25Å | ||
| 610 | P | 80.4 | Confident | 82.6 | Confident | 33 Ų | 33 | 64.1 Ų | 64.1 | 21% | 0.214 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -67.8 | -17.7 | -179.1 | 26.3 | -33.8 | 0 | 0 | 0 | 112.7 | F605 A612 L613 R618 | F605-P610 VanDerWaalsContact O-N 3.13Å; P610-A612 VanDerWaalsContact C-N 3.29Å; P610-A612 PolarHBondContact O-N 3.47Å; P610-L613 PolarHBondContact O-N 2.93Å; P610-R618 WeakPolarHBondContact O-CG 3.31Å; P610-R618 PolarHBondContact O-NE 3.09Å; P610-R618 VanDerWaalsContact O-NE 3.13Å |
| 611 | K | 80 | Confident | 81.1 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 52% | 0.522 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -67.2 | -32.4 | 177.9 | -65.9 | -179.5 | 179.2 | 174 | 0 | 111.5 | N609 L613 R618 | N609-K611 PolarHBondContact O-N 2.96Å; N609-K611 WeakPolarHBondContact OD1-CB 3.45Å; N609-K611 PolarHBondContact OD1-N 3Å; K611-L613 PolarHBondContact O-N 3.5Å; K611-R618 PolarHBondContact O-NH2 3.05Å |
| 612 | A | 82.6 | Confident | 79.4 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 2% | 0.017 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -63.4 | -23.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F577 F605 N609 P610 | F577-A612 HydrophobicContact CD1-CB 3.64Å; F577-A612 HydrophobicContact CE1-CB 3.72Å; F605-A612 HydrophobicContact CD1-CB 4.01Å; F605-A612 HydrophobicContact CE1-CB 4.34Å; N609-A612 WeakPolarHBondContact O-CB 3.37Å; N609-A612 PolarHBondContact O-N 3.36Å; N609-A612 PolarHBondContact OD1-N 3.13Å; P610-A612 VanDerWaalsContact C-N 3.29Å; P610-A612 PolarHBondContact O-N 3.47Å |
| 613 | L | 85.1 | Confident | 77.6 | Confident | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -87.7 | 144.3 | 177.4 | -65.2 | 171.3 | 0 | 0 | 0 | 111.4 | M580 I602 F605 R606 P610 K611 D617 R618 | M580-L613 HydrophobicContact CE-CD2 3.54Å; M580-L613 HydrophobicContact CG-CD2 4.38Å; I602-L613 HydrophobicContact CG1-CD2 4.29Å; I602-L613 HydrophobicContact CG2-CD1 4.09Å; I602-L613 HydrophobicContact CG2-CD2 4.4Å; F605-L613 HydrophobicContact CB-CD1 3.78Å; F605-L613 HydrophobicContact CB-CD2 4.11Å; F605-L613 HydrophobicContact CB-CG 3.85Å; R606-L613 HydrophobicContact CG-CD1 3.78Å; P610-L613 PolarHBondContact O-N 2.93Å; K611-L613 PolarHBondContact O-N 3.5Å; L613-D617 HydrophobicContact CB-CB 4.37Å; L613-D617 HydrophobicContact CD2-CB 4.49Å; L613-R618 HydrophobicContact CB-CG 4.18Å; L613-R618 PolarHBondContact O-NE 3.04Å; L613-R618 PolarHBondContact O-NH2 3.38Å |
| 614 | A | 85 | Confident | 75.7 | Confident | 40 Ų | 40 | 74.5 Ų | 74.5 | 33% | 0.331 | 37% | 0.372 | S | S | . | . | trans | -57.6 | 150.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K616 D617 R618 | A614-K616 PolarHBondContact O-N 2.96Å; A614-D617 PolarHBondContact O-N 3.16Å; A614-R618 PolarHBondContact O-N 3.41Å | ||
| 615 | K | 83.5 | Confident | 74 | Confident | 183 Ų | 183 | 75.9 Ų | 75.9 | 80% | 0.796 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -36.1 | -178.4 | -69.2 | -179.4 | 178.9 | 177.7 | 0 | 113.2 | D617 | K615-D617 VanDerWaalsContact C-N 3.26Å; K615-D617 PolarHBondContact O-N 3.06Å |
| 616 | K | 85.2 | Confident | 72.1 | Confident | 192 Ų | 192 | 79 Ų | 79 | 84% | 0.835 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -26.6 | 179 | -61.7 | 174.8 | -176.9 | 171.6 | 0 | 113.5 | A614 | A614-K616 PolarHBondContact O-N 2.96Š|
| 617 | D | 84.1 | Confident | 70.2 | Confident | 23 Ų | 23 | 81.2 Ų | 81.2 | 12% | 0.123 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -9.5 | -172.8 | -70 | -54.6 | 0 | 0 | 0 | 114.1 | K587 I602 R606 L613 A614 K615 G619 | K587-D617 IonicContact NZ-OD1 2.69Å; K587-D617 PolarHBondContact NZ-OD1 3.1Å; I602-D617 HydrophobicContact CG2-CB 4.18Å; R606-D617 VanDerWaalsContact CZ-O 3.23Å; R606-D617 PolarHBondContact NE-O 3.18Å; R606-D617 PolarHBondContact NH2-O 3.14Å; L613-D617 HydrophobicContact CB-CB 4.37Å; L613-D617 HydrophobicContact CD2-CB 4.49Å; A614-D617 PolarHBondContact O-N 3.16Å; K615-D617 VanDerWaalsContact C-N 3.26Å; K615-D617 PolarHBondContact O-N 3.06Å; D617-G619 PolarHBondContact O-N 2.63Å |
| 618 | R | 79.5 | Confident | 69 | Low | 102 Ų | 102 | 81.6 Ų | 81.6 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -60.6 | -25.1 | 178.2 | -66.1 | -177.9 | -176 | 176.5 | -3.3 | 114 | R606 P610 K611 L613 A614 | R606-R618 WeakPolarHBondContact CG-O 3.49Å; P610-R618 WeakPolarHBondContact O-CG 3.31Å; P610-R618 PolarHBondContact O-NE 3.09Å; P610-R618 VanDerWaalsContact O-NE 3.13Å; K611-R618 PolarHBondContact O-NH2 3.05Å; L613-R618 HydrophobicContact CB-CG 4.18Å; L613-R618 PolarHBondContact O-NE 3.04Å; L613-R618 PolarHBondContact O-NH2 3.38Å; A614-R618 PolarHBondContact O-N 3.41Å |
| 619 | G | 75.1 | Confident | 67.5 | Low | 38 Ų | 38 | 87.2 Ų | 87.2 | 39% | 0.392 | 45% | 0.454 | S | S | . | . | trans | 74.1 | -179.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D617 | D617-G619 PolarHBondContact O-N 2.63Š| ||
| 620 | R | 69 | Low | 66.2 | Low | 231 Ų | 231 | 87.7 Ų | 87.7 | 87% | 0.872 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -76.8 | 129 | 175.4 | -159.7 | 174.3 | -170.3 | -173.3 | 1.8 | 107.9 | T622 | R620-T622 PolarHBondContact O-N 3.15Å; R620-T622 VanDerWaalsContact O-N 3.1Å |
| 621 | P | 59 | Low | 65 | Low | 104 Ų | 104 | 91 Ų | 91 | 68% | 0.675 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 120.9 | 179.5 | 21.2 | -30.2 | 0 | 0 | 0 | 108.8 | ||
| 622 | T | 54.2 | Low | 64.1 | Low | 88 Ų | 88 | 85.7 Ų | 85.7 | 54% | 0.54 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 148.4 | 169.2 | -48.3 | 0 | 0 | 0 | 0 | 106.8 | R620 A624 S625 A626 | R620-T622 PolarHBondContact O-N 3.15Å; R620-T622 VanDerWaalsContact O-N 3.1Å; T622-A624 PolarHBondContact O-N 3.34Å; T622-A624 VanDerWaalsContact O-N 3.12Å; T622-S625 WeakPolarHBondContact O-CA 3.43Å; T622-S625 WeakPolarHBondContact O-CB 3.34Å; T622-S625 PolarHBondContact O-N 2.98Å; T622-A626 PolarHBondContact O-N 3.41Å |
| 623 | V | 51.2 | Low | 63.4 | Low | 78 Ų | 78 | 91.6 Ų | 91.6 | 47% | 0.473 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -51.6 | -39.7 | -178.2 | -174.7 | 0 | 0 | 0 | 0 | 111.3 | S625 A626 Q627 | V623-S625 PolarHBondContact O-N 3.39Å; V623-A626 PolarHBondContact O-N 3.15Å; V623-Q627 WeakPolarHBondContact O-CG 3.42Å; V623-Q627 PolarHBondContact O-N 2.88Å |
| 624 | A | 48.3 | Very low | 62.9 | Low | 61 Ų | 61 | 95.4 Ų | 95.4 | 50% | 0.504 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.6 | -24.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T622 | T622-A624 PolarHBondContact O-N 3.34Å; T622-A624 VanDerWaalsContact O-N 3.12Å |
| 625 | S | 49.3 | Very low | 62.6 | Low | 45 Ų | 45 | 98.9 Ų | 98.9 | 32% | 0.315 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -86.9 | -14.3 | 178.2 | -52.3 | 0 | 0 | 0 | 0 | 113.2 | T622 V623 | T622-S625 WeakPolarHBondContact O-CA 3.43Å; T622-S625 WeakPolarHBondContact O-CB 3.34Å; T622-S625 PolarHBondContact O-N 2.98Å; V623-S625 PolarHBondContact O-N 3.39Å |
| 626 | A | 46.8 | Very low | 62.2 | Low | 68 Ų | 68 | 93.2 Ų | 93.2 | 56% | 0.562 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -92 | -30 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T622 V623 | T622-A626 PolarHBondContact O-N 3.41Å; V623-A626 PolarHBondContact O-N 3.15Å |
| 627 | Q | 45.4 | Very low | 61.8 | Low | 107 Ų | 107 | 87.6 Ų | 87.6 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -80.1 | -23 | -177.3 | -69.8 | 170 | -31.5 | 0 | 0 | 114.3 | V623 | V623-Q627 WeakPolarHBondContact O-CG 3.42Å; V623-Q627 PolarHBondContact O-N 2.88Å |
| 628 | Q | 49.4 | Very low | 61 | Low | 141 Ų | 141 | 97.4 Ų | 97.4 | 66% | 0.659 | 52% | 0.515 | S | S | * | . | trans | -109.9 | 99.1 | 171.3 | -78.8 | 157.9 | -7.1 | 0 | 0 | 105.8 | S630 | Q628-S630 PolarHBondContact O-N 3.45Š| ||
| 629 | E | 45.7 | Very low | 60.3 | Low | 154 Ų | 154 | 97.9 Ų | 97.9 | 72% | 0.72 | 52% | 0.522 | S | S | * | . | trans | -59.5 | 78.6 | 154.3 | -70.3 | -162 | 157.9 | 0 | 0 | 107.2 | I631 | E629-I631 PolarHBondContact O-N 3.04Š| ||
| 630 | S | 51.7 | Low | 60 | Low | 29 Ų | 29 | 102.1 Ų | 102.1 | 20% | 0.203 | 54% | 0.54 | C | S | . | . | trans | -75.4 | 74.8 | 178.8 | 48 | 0 | 0 | 0 | 0 | 106.4 | R607 I608 N609 Q628 A632 | R607-S630 PolarHBondContact O-OG 3.22Å; I608-S630 CarbonylContact O-C 3.59Å; I608-S630 VanDerWaalsContact O-CB 3.23Å; I608-S630 WeakPolarHBondContact O-CB 3.15Å; I608-S630 PolarHBondContact O-OG 3.48Å; N609-S630 WeakPolarHBondContact CA-O 3.42Å; Q628-S630 PolarHBondContact O-N 3.45Å; S630-A632 PolarHBondContact O-N 3.25Å | ||
| 631 | I | 55.2 | Low | 59.9 | Low | 104 Ų | 104 | 95.6 Ų | 95.6 | 53% | 0.533 | 53% | 0.526 | S | S | . | . | trans | -60.5 | 118.2 | 148.3 | -58.7 | 171.8 | 0 | 0 | 0 | 102.9 | E629 R633 | E629-I631 PolarHBondContact O-N 3.04Å; I631-R633 PolarHBondContact O-N 3.48Å | ||
| 632 | A | 61.4 | Low | 60.4 | Low | 7 Ų | 7 | 94 Ų | 94 | 6% | 0.058 | 52% | 0.518 | C | S | . | . | trans | -43.6 | 121.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | P572 L573 I608 N609 S630 | P572-A632 HydrophobicContact CB-CB 4.15Å; L573-A632 HydrophobicContact CD2-CB 3.55Å; L573-A632 HydrophobicContact CG-CB 4.19Å; I608-A632 HydrophobicContact CG2-CB 4.4Å; N609-A632 HydrophobicContact CB-CB 4.25Å; S630-A632 PolarHBondContact O-N 3.25Å | ||
| 633 | R | 66.9 | Low | 61.4 | Low | 127 Ų | 127 | 93 Ų | 93 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -47.5 | 127.3 | -170.2 | -78.2 | -176 | -171.5 | 139.7 | 7.1 | 109.3 | L573 I631 Y635 T637 Q639 | L573-R633 VanDerWaalsContact CD1-O 3.27Å; L573-R633 WeakPolarHBondContact CD1-O 3.41Å; I631-R633 PolarHBondContact O-N 3.48Å; R633-Y635 PolarHBondContact O-N 3.3Å; R633-T637 WeakPolarHBondContact CB-OG1 3.43Å; R633-Q639 VanDerWaalsContact CZ-CD 3.48Å; R633-Q639 VanDerWaalsContact NH1-CB 3.31Å; R633-Q639 VanDerWaalsContact NH2-NE2 3.15Å |
| 634 | P | 74.5 | Confident | 62.4 | Low | 82 Ų | 82 | 91.6 Ų | 91.6 | 53% | 0.532 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 142 | 177.7 | 22.3 | -28.9 | 0 | 0 | 0 | 108.5 | G636 T637 | P634-G636 PolarHBondContact O-N 3.25Å; P634-T637 HydrophobicContact CG-CG2 3.73Å; P634-T637 PolarHBondContact O-N 2.96Å; P634-T637 VanDerWaalsContact O-N 3.12Å; P634-T637 PolarHBondContact O-OG1 3.13Å |
| 635 | Y | 80.1 | Confident | 63.3 | Low | 112 Ų | 112 | 91.6 Ų | 91.6 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 133 | -179.5 | 174 | -104.6 | 0 | 0 | 0 | 110.3 | L530 V531 R633 | L530-Y635 PolarHBondContact O-OH 3.44Å; L530-Y635 VanDerWaalsContact O-OH 3.12Å; V531-Y635 WeakPolarHBondContact O-CE2 3.45Å; R633-Y635 PolarHBondContact O-N 3.3Å |
| 636 | G | 74.4 | Confident | 64.2 | Low | 64 Ų | 64 | 89.6 Ų | 89.6 | 66% | 0.66 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | -6.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | P634 | P634-G636 PolarHBondContact O-N 3.25Š|
| 637 | T | 76.3 | Confident | 65.5 | Low | 75 Ų | 75 | 86.3 Ų | 86.3 | 46% | 0.46 | 45% | 0.451 | S | S | . | . | trans | -84.1 | 119.9 | 175.9 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | R633 P634 | R633-T637 WeakPolarHBondContact CB-OG1 3.43Å; P634-T637 HydrophobicContact CG-CG2 3.73Å; P634-T637 PolarHBondContact O-N 2.96Å; P634-T637 VanDerWaalsContact O-N 3.12Å; P634-T637 PolarHBondContact O-OG1 3.13Å | ||
| 638 | R | 68.2 | Low | 66.8 | Low | 228 Ų | 228 | 83.7 Ų | 83.7 | 86% | 0.86 | 44% | 0.439 | S | S | * | . | trans | -87.4 | 133 | 177.2 | -168.5 | 173.8 | -178.2 | 175.5 | 0.3 | 110.5 | V640 | R638-V640 PolarHBondContact O-N 3Š| ||
| 639 | Q | 64.5 | Low | 67.7 | Low | 113 Ų | 113 | 80.7 Ų | 80.7 | 53% | 0.528 | 43% | 0.428 | S | S | . | . | trans | -78.5 | 112.4 | 172.3 | -176.9 | 178.7 | 5 | 0 | 0 | 110.4 | R633 T641 | R633-Q639 VanDerWaalsContact CZ-CD 3.48Å; R633-Q639 VanDerWaalsContact NH1-CB 3.31Å; R633-Q639 VanDerWaalsContact NH2-NE2 3.15Å; Q639-T641 HydrophobicContact CG-CG2 4.02Å | ||
| 640 | V | 67.9 | Low | 68.8 | Low | 127 Ų | 127 | 74.2 Ų | 74.2 | 77% | 0.77 | 40% | 0.398 | S | S | * | . | trans | -102.4 | 116.5 | 162.3 | -175.2 | 0 | 0 | 0 | 0 | 106.3 | R638 | R638-V640 PolarHBondContact O-N 3Š| ||
| 641 | T | 67.5 | Low | 69.4 | Low | 93 Ų | 93 | 77.8 Ų | 77.8 | 57% | 0.571 | 42% | 0.419 | S | S | * | . | trans | -89.5 | 118.4 | 172.8 | 49 | 0 | 0 | 0 | 0 | 108.4 | Q639 F643 | Q639-T641 HydrophobicContact CG-CG2 4.02Å; T641-F643 VanDerWaalsContact C-N 3.35Å | ||
| 642 | S | 69.2 | Low | 69.4 | Low | 72 Ų | 72 | 78.6 Ų | 78.6 | 50% | 0.503 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -75.6 | -24.3 | 176.4 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | E719 | S642-E719 WeakPolarHBondContact CB-OE1 3.27Å; S642-E719 PolarHBondContact OG-OE1 3.09Å |
| 643 | F | 75.9 | Confident | 69.1 | Low | 67 Ų | 67 | 85.6 Ų | 85.6 | 29% | 0.294 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -130.7 | 157.9 | 179.9 | 62.7 | -87.5 | 0 | 0 | 0 | 112 | T641 P645 A718 E719 | T641-F643 VanDerWaalsContact C-N 3.35Å; F643-P645 HydrophobicContact CE2-CB 4.43Å; F643-P645 HydrophobicContact CE2-CG 4.37Å; F643-P645 WeakPolarHBondContact O-CD 3.49Å; F643-A718 HydrophobicContact CB-CB 4.06Å; F643-A718 HydrophobicContact CD2-CB 3.82Å; F643-A718 HydrophobicContact CG-CB 4.1Å; F643-E719 HydrophobicContact CB-CB 4.42Å |
| 644 | V | 72.4 | Confident | 67.7 | Low | 47 Ų | 47 | 88.5 Ų | 88.5 | 29% | 0.285 | 47% | 0.472 | S | S | . | . | trans | -84.1 | 116.7 | 168.5 | 180 | 0 | 0 | 0 | 0 | 107.8 | G646 A647 C722 L727 I735 | V644-G646 PolarHBondContact O-N 2.73Å; V644-A647 HydrophobicContact CB-CB 4.4Å; V644-A647 WeakPolarHBondContact O-CB 3.47Å; V644-A647 PolarHBondContact O-N 2.74Å; V644-C722 PolarHBondContact N-SG 2.93Å; V644-L727 HydrophobicContact CB-CD1 4.37Å; V644-L727 HydrophobicContact CG2-CD1 4.14Å; V644-I735 HydrophobicContact CG1-CD1 4.26Å; V644-I735 HydrophobicContact CG1-CG2 4.4Å | ||
| 645 | P | 66 | Low | 65.9 | Low | 61 Ų | 61 | 92.9 Ų | 92.9 | 40% | 0.396 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 137.3 | -179.7 | -19.7 | 23.6 | 0 | 0 | 0 | 111.9 | F643 A647 I735 R739 | F643-P645 HydrophobicContact CE2-CB 4.43Å; F643-P645 HydrophobicContact CE2-CG 4.37Å; F643-P645 WeakPolarHBondContact O-CD 3.49Å; P645-A647 VanDerWaalsContact C-N 3.31Å; P645-I735 WeakPolarHBondContact O-CG2 3.49Å; P645-R739 PolarHBondContact O-NE 3.11Å; P645-R739 PolarHBondContact O-NH2 3.26Å |
| 646 | G | 68.9 | Low | 63.8 | Low | 3 Ų | 3 | 93.5 Ų | 93.5 | 3% | 0.031 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -2.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | V644 E648 N649 | V644-G646 PolarHBondContact O-N 2.73Å; G646-E648 VanDerWaalsContact C-OE2 3.22Å; G646-E648 VanDerWaalsContact CA-CD 3.4Å; G646-E648 WeakPolarHBondContact CA-OE1 3.4Å; G646-E648 WeakPolarHBondContact CA-OE2 3.49Å; G646-E648 PolarHBondContact N-OE1 3.35Å; G646-E648 PolarHBondContact N-OE2 2.98Å; G646-E648 PolarHBondContact O-N 2.89Å; G646-N649 PolarHBondContact O-N 3.36Å |
| 647 | A | 74.4 | Confident | 61.9 | Low | 0 Ų | 0 | 97.7 Ų | 97.7 | 0% | 0 | 51% | 0.512 | C | S | . | . | G | 310 helix | trans | -65.8 | -21.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V644 P645 N649 L650 A718 I721 I735 | V644-A647 HydrophobicContact CB-CB 4.4Å; V644-A647 WeakPolarHBondContact O-CB 3.47Å; V644-A647 PolarHBondContact O-N 2.74Å; P645-A647 VanDerWaalsContact C-N 3.31Å; A647-N649 PolarHBondContact O-N 3.31Å; A647-N649 VanDerWaalsContact O-N 3.08Å; A647-L650 WeakPolarHBondContact O-CB 3.19Å; A647-L650 PolarHBondContact O-N 3.29Å; A647-L650 VanDerWaalsContact O-N 3.08Å; A647-A718 HydrophobicContact CB-CB 4.12Å; A647-I721 WeakPolarHBondContact O-CD1 3.45Å; A647-I735 HydrophobicContact CB-CD1 4.39Å |
| 648 | E | 72.3 | Confident | 59.7 | Low | 52 Ų | 52 | 99.4 Ų | 99.4 | 24% | 0.243 | 53% | 0.527 | C | S | . | . | G | 310 helix | trans | -59.2 | -16.8 | 172.9 | 63.1 | -88.4 | -161.9 | 0 | 0 | 114.4 | G646 L650 R714 A718 | G646-E648 VanDerWaalsContact C-OE2 3.22Å; G646-E648 VanDerWaalsContact CA-CD 3.4Å; G646-E648 WeakPolarHBondContact CA-OE1 3.4Å; G646-E648 WeakPolarHBondContact CA-OE2 3.49Å; G646-E648 PolarHBondContact N-OE1 3.35Å; G646-E648 PolarHBondContact N-OE2 2.98Å; G646-E648 PolarHBondContact O-N 2.89Å; E648-L650 VanDerWaalsContact C-N 3.34Å; E648-R714 HydrophobicContact CB-CB 4.24Å; E648-R714 WeakPolarHBondContact CB-O 3.48Å; E648-R714 HydrophobicContact CG-CB 4.23Å; E648-A718 HydrophobicContact CB-CB 4.17Å |
| 649 | N | 67.8 | Low | 58 | Low | 78 Ų | 78 | 91.8 Ų | 91.8 | 42% | 0.417 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -90.1 | 2.8 | 179.3 | -62.6 | -46.8 | 0 | 0 | 0 | 113.1 | G646 A647 S738 | G646-N649 PolarHBondContact O-N 3.36Å; A647-N649 PolarHBondContact O-N 3.31Å; A647-N649 VanDerWaalsContact O-N 3.08Å; N649-S738 VanDerWaalsContact ND2-CB 3.26Å; N649-S738 WeakPolarHBondContact ND2-CB 3.4Å |
| 650 | L | 68.4 | Low | 56.5 | Low | 18 Ų | 18 | 98.2 Ų | 98.2 | 9% | 0.094 | 54% | 0.54 | C | S | . | . | S | Bend | trans | -90.9 | 138.3 | 173.4 | -62 | 174.7 | 0 | 0 | 0 | 109.6 | A647 E648 I721 L727 E731 K734 I735 | A647-L650 WeakPolarHBondContact O-CB 3.19Å; A647-L650 PolarHBondContact O-N 3.29Å; A647-L650 VanDerWaalsContact O-N 3.08Å; E648-L650 VanDerWaalsContact C-N 3.34Å; L650-I721 HydrophobicContact CB-CD1 4.29Å; L650-I721 HydrophobicContact CB-CG2 4.34Å; L650-I721 HydrophobicContact CD1-CG2 4.13Å; L650-I721 WeakPolarHBondContact O-CD1 3.35Å; L650-L727 HydrophobicContact CD1-CD2 3.38Å; L650-E731 HydrophobicContact CD1-CB 4.05Å; L650-E731 HydrophobicContact CD1-CG 4.29Å; L650-E731 HydrophobicContact CD2-CB 3.98Å; L650-E731 HydrophobicContact CD2-CG 3.9Å; L650-K734 HydrophobicContact CD2-CB 4.29Å; L650-K734 HydrophobicContact CD2-CD 4.31Å; L650-I735 HydrophobicContact CD1-CD1 3.98Å; L650-I735 HydrophobicContact CD1-CG1 4.24Å; L650-I735 HydrophobicContact CG-CG1 4.36Å |
| 651 | T | 64.4 | Low | 54.7 | Low | 104 Ų | 104 | 99.8 Ų | 99.8 | 64% | 0.638 | 54% | 0.543 | S | S | * | . | trans | -74.9 | 134.8 | 174.5 | 44.4 | 0 | 0 | 0 | 0 | 109.7 | E653 | T651-E653 PolarHBondContact O-N 3.12Š| ||
| 652 | M | 56.8 | Low | 53 | Low | 120 Ų | 120 | 101.6 Ų | 101.6 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | trans | -70.2 | 106.5 | 163 | -77.7 | -154.6 | -179.9 | 0 | 0 | 107.5 | E720 I721 | M652-E720 HydrophobicContact CE-CB 3.62Å; M652-I721 HydrophobicContact CE-CG1 4.37Å; M652-I721 HydrophobicContact CG-CG1 4.35Å | ||
| 653 | E | 53.6 | Low | 51.2 | Low | 155 Ų | 155 | 106.2 Ų | 106.2 | 72% | 0.724 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 122.7 | 168.1 | -73.2 | 177.8 | 176.6 | 0 | 0 | 108.2 | T651 M655 | T651-E653 PolarHBondContact O-N 3.12Å; E653-M655 PolarHBondContact O-N 3.35Å |
| 654 | E | 37.3 | Very low | 49.1 | Very low | 187 Ų | 187 | 110.7 Ų | 110.7 | 87% | 0.874 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 130.7 | 172 | -68.9 | 177.6 | 167.3 | 0 | 0 | 109.1 | ||
| 655 | M | 36.8 | Very low | 47 | Very low | 175 Ų | 175 | 116 Ų | 116 | 86% | 0.862 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 132.5 | 176.5 | -71.2 | -108.5 | -65.5 | 0 | 0 | 110.1 | E653 D657 | E653-M655 PolarHBondContact O-N 3.35Å; M655-D657 PolarHBondContact O-N 2.93Å |
| 656 | P | 37.4 | Very low | 45.2 | Very low | 124 Ų | 124 | 120.2 Ų | 120.2 | 81% | 0.805 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 119.6 | 173.2 | 27.2 | -29.5 | 0 | 0 | 0 | 108.6 | S658 | P656-S658 PolarHBondContact O-N 3.42Š|
| 657 | D | 34.6 | Very low | 43.4 | Very low | 152 Ų | 152 | 126.2 Ų | 126.2 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 134.9 | 174.1 | -165.4 | 8.6 | 0 | 0 | 0 | 110.3 | M655 G659 | M655-D657 PolarHBondContact O-N 2.93Å; D657-G659 PolarHBondContact O-N 2.79Å |
| 658 | S | 29.8 | Very low | 41.1 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -65 | 120.6 | -177.7 | 44.2 | 0 | 0 | 0 | 0 | 111.7 | P656 | P656-S658 PolarHBondContact O-N 3.42Š|
| 659 | G | 31.7 | Very low | 39.1 | Very low | 69 Ų | 69 | 132.2 Ų | 132.2 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | trans | 139.9 | 84.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | D657 | D657-G659 PolarHBondContact O-N 2.79Š| ||
| 660 | R | 33.8 | Very low | 37.2 | Very low | 248 Ų | 248 | 135.5 Ų | 135.5 | 94% | 0.936 | 74% | 0.742 | S | S | * | * | 167.2 | 108.1 | 125.7 | -94.9 | 170.8 | 169.3 | 173 | -3.3 | 109.8 | |||||
| 661 | L | 28.9 | Very low | 35.4 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -61.6 | 124.4 | 152.6 | -66.8 | 155.7 | 0 | 0 | 0 | 107 | ||||
| 662 | D | 32.9 | Very low | 33.8 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | 172.4 | 132.8 | 115.4 | -88 | -21.1 | 0 | 0 | 0 | 111.2 | |||||
| 663 | E | 31.1 | Very low | 32.4 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 55.2 | 107.7 | 140.9 | -56.7 | 178.2 | 176.7 | 0 | 0 | 117.9 | ||||
| 664 | N | 32.7 | Very low | 31.1 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | 173.9 | 149.1 | 89.9 | -143.3 | -16.8 | 0 | 0 | 0 | 111.3 | |||||
| 665 | E | 28.4 | Very low | 30.8 | Very low | 159 Ų | 159 | 142 Ų | 142 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -74.7 | 157.1 | -175.7 | -58.1 | -179 | 146.8 | 0 | 0 | 113.4 | ||||
| 666 | N | 26.8 | Very low | 30.6 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | 68.6 | 107.4 | 155.3 | -62 | -36.9 | 0 | 0 | 0 | 118.8 | ||||
| 667 | S | 30.6 | Very low | 30.3 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | -167 | 158.3 | 116.6 | -155.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 668 | A | 27.4 | Very low | 30.4 | Very low | 86 Ų | 86 | 140.2 Ų | 140.2 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -73.3 | 168.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 669 | S | 29.3 | Very low | 30.4 | Very low | 91 Ų | 91 | 139.1 Ų | 139.1 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | 100.2 | 122.1 | 137.7 | -132.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 670 | D | 28.3 | Very low | 30.3 | Very low | 147 Ų | 147 | 143.8 Ų | 143.8 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | 63.8 | 139 | 148.1 | -50.8 | -36.2 | 0 | 0 | 0 | 116.7 | ||||
| 671 | N | 30.7 | Very low | 30.3 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | cis | -174.1 | 141.6 | 29.2 | -158.8 | 8.5 | 0 | 0 | 0 | 102.1 | ||||
| 672 | E | 31.2 | Very low | 30.5 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | -175.4 | 102.4 | 82.7 | -76.8 | -159.8 | 159.2 | 0 | 0 | 108.9 | S674 | E672-S674 PolarHBondContact O-N 3.32Š| |||
| 673 | G | 28 | Very low | 30.3 | Very low | 66 Ų | 66 | 138.6 Ų | 138.6 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | trans | -82.1 | 94.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | W675 | G673-W675 PolarHBondContact O-N 3.44Š| ||
| 674 | S | 25.6 | Very low | 30.4 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -64.5 | 95 | 174.2 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | E672 I676 | E672-S674 PolarHBondContact O-N 3.32Å; S674-I676 PolarHBondContact O-N 2.81Å | ||
| 675 | W | 31.6 | Very low | 30.2 | Very low | 241 Ų | 241 | 136.4 Ų | 136.4 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | trans | -74.4 | 111.2 | 167.8 | -90.3 | 40.6 | 0 | 0 | 0 | 108.8 | G673 D677 | G673-W675 PolarHBondContact O-N 3.44Å; W675-D677 PolarHBondContact O-N 3.25Å | ||
| 676 | I | 31.3 | Very low | 30.3 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | trans | -77 | 105.6 | 163.2 | -71.6 | 162.7 | 0 | 0 | 0 | 107.5 | S674 V678 | S674-I676 PolarHBondContact O-N 2.81Å; I676-V678 PolarHBondContact O-N 3.49Å | ||
| 677 | D | 32.1 | Very low | 30.4 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -61.6 | 112.4 | 172.5 | -174.1 | 25.6 | 0 | 0 | 0 | 110.1 | W675 S679 | W675-D677 PolarHBondContact O-N 3.25Å; D677-S679 PolarHBondContact O-N 3.38Å | ||
| 678 | V | 35.5 | Very low | 30.4 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -94.1 | 86.9 | 167.7 | -167.7 | 0 | 0 | 0 | 0 | 105.7 | I676 D680 | I676-V678 PolarHBondContact O-N 3.49Å; V678-D680 PolarHBondContact O-N 3.4Å; V678-D680 VanDerWaalsContact O-N 3.16Å | ||
| 679 | S | 30.8 | Very low | 30.7 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | trans | -57.4 | 116.1 | 174.3 | 25.7 | 0 | 0 | 0 | 0 | 110.2 | D677 D681 | D677-S679 PolarHBondContact O-N 3.38Å; S679-D681 PolarHBondContact O-N 2.65Å | ||
| 680 | D | 28.4 | Very low | 30.8 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | -73.4 | 106 | 160.4 | -113.5 | -14.8 | 0 | 0 | 0 | 106 | V678 | V678-D680 PolarHBondContact O-N 3.4Å; V678-D680 VanDerWaalsContact O-N 3.16Å | ||
| 681 | D | 34.3 | Very low | 31.1 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -138.5 | 108.9 | 163.1 | -108.3 | -15.6 | 0 | 0 | 0 | 111.1 | S679 | S679-D681 PolarHBondContact O-N 2.65Š| ||
| 682 | D | 32.8 | Very low | 31.2 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | 50.7 | 102.3 | 140 | -74.9 | -13.5 | 0 | 0 | 0 | 120.9 | S684 | D682-S684 PolarHBondContact O-N 2.78Š| ||
| 683 | D | 29.7 | Very low | 31.4 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | 32.5 | 89.5 | 117.4 | -79.9 | -23.8 | 0 | 0 | 0 | 117 | |||||
| 684 | S | 31.9 | Very low | 31.6 | Very low | 116 Ų | 116 | 149.2 Ų | 149.2 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -158.3 | 105.3 | 144.8 | 16.3 | 0 | 0 | 0 | 0 | 113.3 | D682 | D682-S684 PolarHBondContact O-N 2.78Š| ||
| 685 | E | 29 | Very low | 32 | Very low | 168 Ų | 168 | 149 Ų | 149 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -68.4 | 125.3 | 164.5 | -75.3 | -153.2 | 166 | 0 | 0 | 111.6 | K832 | E685-K832 IonicContact OE2-NZ 3.78Å; E685-K832 PolarHBondContact OE2-NZ 3.33Å | ||
| 686 | S | 30.7 | Very low | 32.1 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -150.5 | 101.3 | 145.3 | 60.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 687 | D | 28.9 | Very low | 32 | Very low | 127 Ų | 127 | 142 Ų | 142 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | trans | -50.3 | 130.2 | 148.4 | -91.9 | -35.5 | 0 | 0 | 0 | 109.6 | ||||
| 688 | L | 31.4 | Very low | 32.1 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 72% | 0.723 | 79% | 0.793 | S | S | * | * | trans | -146 | 130.5 | 140 | -80.8 | -173.4 | 0 | 0 | 0 | 112.5 | ||||
| 689 | S | 33.9 | Very low | 31.8 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | -55.1 | 152.3 | 178.8 | 46.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 690 | D | 30.1 | Very low | 31.8 | Very low | 160 Ų | 160 | 146 Ų | 146 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -30.7 | 135.8 | 158.4 | -55.8 | -51.4 | 0 | 0 | 0 | 115.9 | ||||
| 691 | R | 36 | Very low | 31.7 | Very low | 247 Ų | 247 | 142.9 Ų | 142.9 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -143 | 117.4 | 148.7 | -108 | -177.6 | 171.4 | 159.8 | -3.6 | 109.5 | ||||
| 692 | E | 31.7 | Very low | 31.4 | Very low | 184 Ų | 184 | 142 Ų | 142 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -62.5 | 137.3 | 162.9 | -64.4 | 177.8 | 145.2 | 0 | 0 | 109.9 | ||||
| 693 | N | 34.8 | Very low | 31.1 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -159.7 | 140.7 | 136 | -112 | -7.2 | 0 | 0 | 0 | 111 | ||||
| 694 | N | 32.3 | Very low | 31.2 | Very low | 161 Ų | 161 | 139 Ų | 139 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -70.9 | 173.9 | -168.3 | -119.8 | 0.8 | 0 | 0 | 0 | 114.1 | ||||
| 695 | P | 35.7 | Very low | 31.1 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | trans | -107.6 | 152.4 | -141.9 | 40.5 | -31.5 | 0 | 0 | 0 | 113.5 | ||||
| 696 | T | 33.4 | Very low | 31.3 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -153.5 | 118.4 | 160.1 | 44.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 697 | S | 29.6 | Very low | 31.7 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | 37.1 | 111.2 | 145.2 | 64.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 698 | S | 33.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | -177.4 | 125 | 119 | 53.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 699 | K | 27.9 | Very low | 32.7 | Very low | 215 Ų | 215 | 130 Ų | 130 | 94% | 0.935 | 77% | 0.769 | S | S | * | * | trans | -53.2 | 132.2 | 173.6 | -65.5 | 165.9 | 173.5 | 173.2 | 0 | 111.4 | ||||
| 700 | A | 31.5 | Very low | 33.5 | Very low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | -149.2 | 114.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 701 | A | 26.2 | Very low | 34.5 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -70.6 | 129.5 | -180 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 702 | C | 27.4 | Very low | 35.5 | Very low | 124 Ų | 124 | 117.7 Ų | 117.7 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | trans | -125.4 | 91.9 | 154.8 | -78.9 | 0 | 0 | 0 | 0 | 107.5 | S704 | C702-S704 PolarHBondContact O-N 3.37Š| ||
| 703 | S | 27.1 | Very low | 37.2 | Very low | 116 Ų | 116 | 112.6 Ų | 112.6 | 81% | 0.811 | 69% | 0.689 | S | S | * | * | trans | -64.9 | 104.6 | 161 | 45.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 704 | S | 31.1 | Very low | 38.8 | Very low | 108 Ų | 108 | 110.5 Ų | 110.5 | 76% | 0.755 | 67% | 0.669 | S | S | * | * | trans | -95.1 | 118.4 | 162.9 | -66.8 | 0 | 0 | 0 | 0 | 108.5 | C702 | C702-S704 PolarHBondContact O-N 3.37Š| ||
| 705 | P | 30.3 | Very low | 40.7 | Very low | 115 Ų | 115 | 104.8 Ų | 104.8 | 75% | 0.747 | 64% | 0.644 | S | S | * | * | trans | -77 | 140.7 | -178.5 | 29.9 | -29.9 | 0 | 0 | 0 | 112 | ||||
| 706 | N | 33 | Very low | 42.7 | Very low | 104 Ų | 104 | 104.9 Ų | 104.9 | 56% | 0.556 | 63% | 0.634 | S | S | * | * | trans | 51.1 | 76.1 | 153.1 | -60.9 | -1.2 | 0 | 0 | 0 | 121 | A708 D709 | N706-A708 VanDerWaalsContact C-N 3.31Å; N706-D709 HydrophobicContact CB-CB 4.25Å; N706-D709 WeakPolarHBondContact CB-OD2 3.23Å; N706-D709 VanDerWaalsContact CG-OD2 3.3Å; N706-D709 PolarHBondContact ND2-OD2 2.79Å | ||
| 707 | V | 39.8 | Very low | 44.8 | Very low | 104 Ų | 104 | 104.2 Ų | 104.2 | 63% | 0.63 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -18.7 | 160.9 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | Q711 | V707-Q711 PolarHBondContact O-OE1 3.4Š|
| 708 | A | 39.1 | Very low | 47.1 | Very low | 62 Ų | 62 | 98.8 Ų | 98.8 | 51% | 0.512 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.6 | -35.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N706 Q711 | N706-A708 VanDerWaalsContact C-N 3.31Å; A708-Q711 PolarHBondContact O-N 3.01Å |
| 709 | D | 42.9 | Very low | 49.4 | Very low | 88 Ų | 88 | 97.3 Ų | 97.3 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.7 | -42.2 | -176.2 | -69.4 | -19.3 | 0 | 0 | 0 | 112.1 | N706 Q711 V712 D713 | N706-D709 HydrophobicContact CB-CB 4.25Å; N706-D709 WeakPolarHBondContact CB-OD2 3.23Å; N706-D709 VanDerWaalsContact CG-OD2 3.3Å; N706-D709 PolarHBondContact ND2-OD2 2.79Å; D709-Q711 PolarHBondContact O-N 3.33Å; D709-V712 PolarHBondContact O-N 3.38Å; D709-D713 PolarHBondContact O-N 3.14Å |
| 710 | E | 49.5 | Very low | 52 | Low | 123 Ų | 123 | 91.8 Ų | 91.8 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.5 | -22.3 | 178.1 | -71.4 | -170.6 | 164.8 | 0 | 0 | 114 | R714 | E710-R714 WeakPolarHBondContact O-CG 3.28Å |
| 711 | Q | 50.8 | Low | 54.3 | Low | 54 Ų | 54 | 87.7 Ų | 87.7 | 25% | 0.252 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -91.7 | -32.1 | -173.7 | -70.8 | 168.4 | -13.9 | 0 | 0 | 112.6 | V707 A708 D709 R714 A715 | V707-Q711 PolarHBondContact O-OE1 3.4Å; A708-Q711 PolarHBondContact O-N 3.01Å; D709-Q711 PolarHBondContact O-N 3.33Å; Q711-R714 PolarHBondContact O-N 3.08Å; Q711-A715 PolarHBondContact O-N 3.49Å |
| 712 | V | 58 | Low | 56.9 | Low | 74 Ų | 74 | 84.7 Ų | 84.7 | 45% | 0.448 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 170 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | D709 R714 A715 K716 | D709-V712 PolarHBondContact O-N 3.38Å; V712-R714 PolarHBondContact O-N 3.24Å; V712-A715 PolarHBondContact O-N 3.25Å; V712-K716 HydrophobicContact CG1-CD 4.37Å; V712-K716 WeakPolarHBondContact O-CG 3.36Å; V712-K716 PolarHBondContact O-N 3.33Å |
| 713 | D | 66.6 | Low | 59.5 | Low | 77 Ų | 77 | 83.3 Ų | 83.3 | 41% | 0.412 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.2 | -31.7 | 179 | -66.1 | -22.3 | 0 | 0 | 0 | 113.3 | D709 K717 | D709-D713 PolarHBondContact O-N 3.14Å; D713-K717 WeakPolarHBondContact O-CB 3.34Å; D713-K717 VanDerWaalsContact O-CG 3.23Å; D713-K717 WeakPolarHBondContact O-CG 3.46Å; D713-K717 PolarHBondContact O-N 3.5Å |
| 714 | R | 68.9 | Low | 62 | Low | 127 Ų | 127 | 81.8 Ų | 81.8 | 48% | 0.479 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 175.2 | -72.5 | 179 | -167.4 | -166.3 | 2.1 | 112.4 | E648 E710 Q711 V712 K717 A718 | E648-R714 HydrophobicContact CB-CB 4.24Å; E648-R714 WeakPolarHBondContact CB-O 3.48Å; E648-R714 HydrophobicContact CG-CB 4.23Å; E710-R714 WeakPolarHBondContact O-CG 3.28Å; Q711-R714 PolarHBondContact O-N 3.08Å; V712-R714 PolarHBondContact O-N 3.24Å; R714-K717 PolarHBondContact O-N 2.88Å; R714-A718 PolarHBondContact O-N 3.09Å |
| 715 | A | 71 | Confident | 64.4 | Low | 40 Ų | 40 | 82 Ų | 82 | 33% | 0.331 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q711 V712 A718 E719 | Q711-A715 PolarHBondContact O-N 3.49Å; V712-A715 PolarHBondContact O-N 3.25Å; A715-A718 PolarHBondContact O-N 3.17Å; A715-E719 WeakPolarHBondContact O-CB 3.49Å; A715-E719 PolarHBondContact O-N 2.68Å |
| 716 | K | 77.7 | Confident | 66.8 | Low | 107 Ų | 107 | 82.8 Ų | 82.8 | 47% | 0.465 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 174.1 | -70.3 | 174.6 | 179.2 | 172.7 | 0 | 112 | V712 A718 E719 E720 | V712-K716 HydrophobicContact CG1-CD 4.37Å; V712-K716 WeakPolarHBondContact O-CG 3.36Å; V712-K716 PolarHBondContact O-N 3.33Å; K716-A718 VanDerWaalsContact C-N 3.34Å; K716-A718 PolarHBondContact O-N 2.69Å; K716-E719 WeakPolarHBondContact O-CB 3.47Å; K716-E719 PolarHBondContact O-N 2.83Å; K716-E719 VanDerWaalsContact O-N 3.15Å; K716-E720 WeakPolarHBondContact O-CG 3.34Å; K716-E720 PolarHBondContact O-N 3.07Å |
| 717 | K | 78.4 | Confident | 69.1 | Low | 118 Ų | 118 | 78.8 Ų | 78.8 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 174.5 | -74.9 | 173.3 | -176.8 | -176.3 | 0 | 112.6 | D713 R714 E719 E720 I721 | D713-K717 WeakPolarHBondContact O-CB 3.34Å; D713-K717 VanDerWaalsContact O-CG 3.23Å; D713-K717 WeakPolarHBondContact O-CG 3.46Å; D713-K717 PolarHBondContact O-N 3.5Å; R714-K717 PolarHBondContact O-N 2.88Å; K717-E719 VanDerWaalsContact C-N 3.32Å; K717-E719 PolarHBondContact O-N 3.21Å; K717-E720 PolarHBondContact O-N 2.9Å; K717-I721 WeakPolarHBondContact O-CB 3.44Å; K717-I721 WeakPolarHBondContact O-CD1 3.45Å; K717-I721 WeakPolarHBondContact O-CG1 3.47Å; K717-I721 PolarHBondContact O-N 3.32Å |
| 718 | A | 77.9 | Confident | 71.2 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F643 A647 E648 R714 A715 K716 C722 | F643-A718 HydrophobicContact CB-CB 4.06Å; F643-A718 HydrophobicContact CD2-CB 3.82Å; F643-A718 HydrophobicContact CG-CB 4.1Å; A647-A718 HydrophobicContact CB-CB 4.12Å; E648-A718 HydrophobicContact CB-CB 4.17Å; R714-A718 PolarHBondContact O-N 3.09Å; A715-A718 PolarHBondContact O-N 3.17Å; K716-A718 VanDerWaalsContact C-N 3.34Å; K716-A718 PolarHBondContact O-N 2.69Å; A718-C722 WeakPolarHBondContact O-CB 3.08Å; A718-C722 PolarHBondContact O-N 2.93Å; A718-C722 PolarHBondContact O-SG 3.12Å |
| 719 | E | 81.9 | Confident | 73.2 | Confident | 88 Ų | 88 | 80.3 Ų | 80.3 | 41% | 0.411 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 176.8 | -172.1 | 161.2 | -132.5 | 0 | 0 | 112.2 | S642 F643 A715 K716 K717 C722 S723 | S642-E719 WeakPolarHBondContact CB-OE1 3.27Å; S642-E719 PolarHBondContact OG-OE1 3.09Å; F643-E719 HydrophobicContact CB-CB 4.42Å; A715-E719 WeakPolarHBondContact O-CB 3.49Å; A715-E719 PolarHBondContact O-N 2.68Å; K716-E719 WeakPolarHBondContact O-CB 3.47Å; K716-E719 PolarHBondContact O-N 2.83Å; K716-E719 VanDerWaalsContact O-N 3.15Å; K717-E719 VanDerWaalsContact C-N 3.32Å; K717-E719 PolarHBondContact O-N 3.21Å; E719-C722 PolarHBondContact O-N 3.41Å; E719-S723 VanDerWaalsContact O-CB 3.26Å; E719-S723 WeakPolarHBondContact O-CB 3.25Å; E719-S723 PolarHBondContact O-N 3.21Å; E719-S723 PolarHBondContact O-OG 2.9Å |
| 720 | E | 82.5 | Confident | 74.8 | Confident | 100 Ų | 100 | 80.2 Ų | 80.2 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 172.6 | -73.5 | 170.6 | -172.2 | 0 | 0 | 112 | M652 K716 K717 S723 S724 | M652-E720 HydrophobicContact CE-CB 3.62Å; K716-E720 WeakPolarHBondContact O-CG 3.34Å; K716-E720 PolarHBondContact O-N 3.07Å; K717-E720 PolarHBondContact O-N 2.9Å; E720-S723 WeakPolarHBondContact CA-OG 3.13Å; E720-S723 PolarHBondContact O-N 3.06Å; E720-S723 PolarHBondContact O-OG 3.38Å; E720-S723 VanDerWaalsContact O-OG 3.12Å; E720-S724 WeakPolarHBondContact O-CB 3.1Å; E720-S724 PolarHBondContact O-N 3.4Å; E720-S724 PolarHBondContact O-OG 3.21Å |
| 721 | I | 81.1 | Confident | 76.3 | Confident | 13 Ų | 13 | 75.2 Ų | 75.2 | 7% | 0.067 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 178.9 | -68.3 | 162.4 | 0 | 0 | 0 | 111 | A647 L650 M652 K717 S723 S724 R725 L727 | A647-I721 WeakPolarHBondContact O-CD1 3.45Å; L650-I721 HydrophobicContact CB-CD1 4.29Å; L650-I721 HydrophobicContact CB-CG2 4.34Å; L650-I721 HydrophobicContact CD1-CG2 4.13Å; L650-I721 WeakPolarHBondContact O-CD1 3.35Å; M652-I721 HydrophobicContact CE-CG1 4.37Å; M652-I721 HydrophobicContact CG-CG1 4.35Å; K717-I721 WeakPolarHBondContact O-CB 3.44Å; K717-I721 WeakPolarHBondContact O-CD1 3.45Å; K717-I721 WeakPolarHBondContact O-CG1 3.47Å; K717-I721 PolarHBondContact O-N 3.32Å; I721-S723 VanDerWaalsContact C-N 3.32Å; I721-S723 PolarHBondContact O-N 3.06Å; I721-S724 PolarHBondContact O-OG 3.49Å; I721-R725 PolarHBondContact O-N 2.96Å; I721-L727 HydrophobicContact CG2-CD2 4.19Å |
| 722 | C | 80 | Confident | 77.7 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 24% | 0.243 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -71 | -27.2 | 178.9 | -65.9 | 0 | 0 | 0 | 0 | 112.9 | V644 A718 E719 | V644-C722 PolarHBondContact N-SG 2.93Å; A718-C722 WeakPolarHBondContact O-CB 3.08Å; A718-C722 PolarHBondContact O-N 2.93Å; A718-C722 PolarHBondContact O-SG 3.12Å; E719-C722 PolarHBondContact O-N 3.41Å |
| 723 | S | 82 | Confident | 78.5 | Confident | 96 Ų | 96 | 78.9 Ų | 78.9 | 67% | 0.671 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -84.7 | -29.5 | 176.3 | 55.9 | 0 | 0 | 0 | 0 | 113.2 | E719 E720 I721 | E719-S723 VanDerWaalsContact O-CB 3.26Å; E719-S723 WeakPolarHBondContact O-CB 3.25Å; E719-S723 PolarHBondContact O-N 3.21Å; E719-S723 PolarHBondContact O-OG 2.9Å; E720-S723 WeakPolarHBondContact CA-OG 3.13Å; E720-S723 PolarHBondContact O-N 3.06Å; E720-S723 PolarHBondContact O-OG 3.38Å; E720-S723 VanDerWaalsContact O-OG 3.12Å; I721-S723 VanDerWaalsContact C-N 3.32Å; I721-S723 PolarHBondContact O-N 3.06Å |
| 724 | S | 80.1 | Confident | 78.8 | Confident | 83 Ų | 83 | 81 Ų | 81 | 58% | 0.58 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -82.9 | -33.5 | -178.1 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | E720 I721 | E720-S724 WeakPolarHBondContact O-CB 3.1Å; E720-S724 PolarHBondContact O-N 3.4Å; E720-S724 PolarHBondContact O-OG 3.21Å; I721-S724 PolarHBondContact O-OG 3.49Å |
| 725 | R | 81.2 | Confident | 79 | Confident | 112 Ų | 112 | 75.2 Ų | 75.2 | 42% | 0.423 | 39% | 0.39 | S | S | . | . | trans | -145.6 | 148.7 | -174.8 | -169.4 | 169.2 | 70.1 | 126.7 | 3.8 | 114.3 | I721 E731 | I721-R725 PolarHBondContact O-N 2.96Å; R725-E731 IonicContact CZ-OE1 2.69Å; R725-E731 IonicContact CZ-OE2 2.77Å; R725-E731 IonicContact NH1-OE1 3.82Å; R725-E731 PolarHBondContact NH1-OE1 3.26Å; R725-E731 IonicContact NH2-OE1 3.25Å; R725-E731 PolarHBondContact NH2-OE1 3.03Å; R725-E731 IonicContact NH2-OE2 2.68Å; R725-E731 PolarHBondContact NH2-OE2 3Å | ||
| 726 | V | 80.7 | Confident | 79 | Confident | 132 Ų | 132 | 75.7 Ų | 75.7 | 80% | 0.8 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 121.9 | 169.1 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 727 | L | 81.6 | Confident | 78.3 | Confident | 21 Ų | 21 | 74.4 Ų | 74.4 | 11% | 0.11 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 133.8 | -177.9 | -62.5 | 175.7 | 0 | 0 | 0 | 112.5 | V644 L650 I721 E731 F732 I735 | V644-L727 HydrophobicContact CB-CD1 4.37Å; V644-L727 HydrophobicContact CG2-CD1 4.14Å; L650-L727 HydrophobicContact CD1-CD2 3.38Å; I721-L727 HydrophobicContact CG2-CD2 4.19Å; L727-E731 VanDerWaalsContact CA-OE2 3.27Å; L727-E731 WeakPolarHBondContact CA-OE2 3.3Å; L727-E731 WeakPolarHBondContact CD2-OE2 3.46Å; L727-F732 HydrophobicContact CB-CD2 4.26Å; L727-F732 HydrophobicContact CB-CE1 4.41Å; L727-F732 HydrophobicContact CB-CE2 3.69Å; L727-F732 HydrophobicContact CB-CZ 3.77Å; L727-F732 HydrophobicContact CD1-CE1 4.01Å; L727-F732 HydrophobicContact CD1-CZ 4.05Å; L727-F732 WeakPolarHBondContact O-CE2 3.36Å; L727-I735 HydrophobicContact CD1-CD1 3.86Å |
| 728 | T | 84.5 | Confident | 77.5 | Confident | 57 Ų | 57 | 70.3 Ų | 70.3 | 35% | 0.35 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 160.9 | 176.4 | 64.6 | 0 | 0 | 0 | 0 | 112.2 | T730 E731 F732 | T728-T730 PolarHBondContact O-N 3.49Å; T728-T730 PolarHBondContact OG1-OG1 2.97Å; T728-E731 PolarHBondContact N-OE2 3.14Å; T728-E731 WeakPolarHBondContact O-CB 3.4Å; T728-E731 PolarHBondContact O-N 2.86Å; T728-E731 WeakPolarHBondContact OG1-CG 3.36Å; T728-E731 PolarHBondContact OG1-OE1 3.44Å; T728-F732 VanDerWaalsContact O-CD2 3.28Å; T728-F732 WeakPolarHBondContact O-CD2 3.18Å; T728-F732 PolarHBondContact O-N 2.96Å |
| 729 | Q | 81.1 | Confident | 76.9 | Confident | 141 Ų | 141 | 75.5 Ų | 75.5 | 66% | 0.659 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59 | -32.5 | 179.6 | -171.9 | 65.7 | 25.1 | 0 | 0 | 112.7 | E733 | Q729-E733 WeakPolarHBondContact O-CG 3.4Å; Q729-E733 PolarHBondContact O-N 3.29Å |
| 730 | T | 75.9 | Confident | 75.7 | Confident | 86 Ų | 86 | 76 Ų | 76 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.2 | -34.5 | 176.6 | 53.2 | 0 | 0 | 0 | 0 | 111.9 | T728 E733 K734 | T728-T730 PolarHBondContact O-N 3.49Å; T728-T730 PolarHBondContact OG1-OG1 2.97Å; T730-E733 WeakPolarHBondContact O-CB 3.41Å; T730-E733 PolarHBondContact O-N 2.87Å; T730-K734 WeakPolarHBondContact O-CG 3.37Å; T730-K734 PolarHBondContact O-N 2.93Å |
| 731 | E | 80.8 | Confident | 74.2 | Confident | 17 Ų | 17 | 74.9 Ų | 74.9 | 8% | 0.079 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.4 | -39.2 | 174.1 | -72.1 | 155.3 | -153.2 | 0 | 0 | 111.9 | L650 R725 L727 T728 E733 K734 I735 | L650-E731 HydrophobicContact CD1-CB 4.05Å; L650-E731 HydrophobicContact CD1-CG 4.29Å; L650-E731 HydrophobicContact CD2-CB 3.98Å; L650-E731 HydrophobicContact CD2-CG 3.9Å; R725-E731 IonicContact CZ-OE1 2.69Å; R725-E731 IonicContact CZ-OE2 2.77Å; R725-E731 IonicContact NH1-OE1 3.82Å; R725-E731 PolarHBondContact NH1-OE1 3.26Å; R725-E731 IonicContact NH2-OE1 3.25Å; R725-E731 PolarHBondContact NH2-OE1 3.03Å; R725-E731 IonicContact NH2-OE2 2.68Å; R725-E731 PolarHBondContact NH2-OE2 3Å; L727-E731 VanDerWaalsContact CA-OE2 3.27Å; L727-E731 WeakPolarHBondContact CA-OE2 3.3Å; L727-E731 WeakPolarHBondContact CD2-OE2 3.46Å; T728-E731 PolarHBondContact N-OE2 3.14Å; T728-E731 WeakPolarHBondContact O-CB 3.4Å; T728-E731 PolarHBondContact O-N 2.86Å; T728-E731 WeakPolarHBondContact OG1-CG 3.36Å; T728-E731 PolarHBondContact OG1-OE1 3.44Å; E731-E733 PolarHBondContact O-N 3.18Å; E731-K734 WeakPolarHBondContact O-CB 3.36Å; E731-K734 PolarHBondContact O-N 3.45Å; E731-K734 VanDerWaalsContact O-N 3.12Å; E731-I735 VanDerWaalsContact O-CG1 3.29Å; E731-I735 WeakPolarHBondContact O-CG1 3.48Å; E731-I735 PolarHBondContact O-N 3.48Å |
| 732 | F | 79.5 | Confident | 73 | Confident | 90 Ų | 90 | 78.6 Ų | 78.6 | 40% | 0.395 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.7 | -35 | 170.8 | -77.7 | -66.8 | 0 | 0 | 0 | 112.3 | L727 T728 A736 | L727-F732 HydrophobicContact CB-CD2 4.26Å; L727-F732 HydrophobicContact CB-CE1 4.41Å; L727-F732 HydrophobicContact CB-CE2 3.69Å; L727-F732 HydrophobicContact CB-CZ 3.77Å; L727-F732 HydrophobicContact CD1-CE1 4.01Å; L727-F732 HydrophobicContact CD1-CZ 4.05Å; L727-F732 WeakPolarHBondContact O-CE2 3.36Å; T728-F732 VanDerWaalsContact O-CD2 3.28Å; T728-F732 WeakPolarHBondContact O-CD2 3.18Å; T728-F732 PolarHBondContact O-N 2.96Å; F732-A736 WeakPolarHBondContact O-CB 3.48Å; F732-A736 PolarHBondContact O-N 3.03Å |
| 733 | E | 74.7 | Confident | 71.7 | Confident | 116 Ų | 116 | 79.1 Ų | 79.1 | 54% | 0.542 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.7 | -44 | 172.6 | -70.2 | 177.9 | 179 | 0 | 0 | 111.6 | Q729 T730 E731 A736 T737 | Q729-E733 WeakPolarHBondContact O-CG 3.4Å; Q729-E733 PolarHBondContact O-N 3.29Å; T730-E733 WeakPolarHBondContact O-CB 3.41Å; T730-E733 PolarHBondContact O-N 2.87Å; E731-E733 PolarHBondContact O-N 3.18Å; E733-A736 WeakPolarHBondContact O-CB 3.44Å; E733-A736 PolarHBondContact O-N 2.89Å; E733-T737 WeakPolarHBondContact O-CG2 3.38Å; E733-T737 PolarHBondContact O-N 3.5Å; E733-T737 PolarHBondContact O-OG1 3.19Å |
| 734 | K | 72.6 | Confident | 70 | Confident | 121 Ų | 121 | 79.3 Ų | 79.3 | 53% | 0.526 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.4 | -49.6 | 174 | -71.3 | 178.6 | -179.3 | 179.4 | 0 | 111.6 | L650 T730 E731 A736 T737 S738 | L650-K734 HydrophobicContact CD2-CB 4.29Å; L650-K734 HydrophobicContact CD2-CD 4.31Å; T730-K734 WeakPolarHBondContact O-CG 3.37Å; T730-K734 PolarHBondContact O-N 2.93Å; E731-K734 WeakPolarHBondContact O-CB 3.36Å; E731-K734 PolarHBondContact O-N 3.45Å; E731-K734 VanDerWaalsContact O-N 3.12Å; K734-A736 VanDerWaalsContact C-N 3.28Å; K734-A736 PolarHBondContact O-N 3.41Å; K734-T737 WeakPolarHBondContact CA-OG1 3.36Å; K734-T737 PolarHBondContact O-N 3.02Å; K734-T737 VanDerWaalsContact O-N 3.08Å; K734-T737 PolarHBondContact O-OG1 3.01Å; K734-S738 PolarHBondContact O-N 2.77Å; K734-S738 PolarHBondContact O-OG 3.45Å |
| 735 | I | 74.5 | Confident | 68.1 | Low | 6 Ų | 6 | 81.1 Ų | 81.1 | 3% | 0.031 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -55.3 | -45 | 175.4 | -67.7 | 168.2 | 0 | 0 | 0 | 110.6 | V644 P645 A647 L650 L727 E731 S738 R739 | V644-I735 HydrophobicContact CG1-CD1 4.26Å; V644-I735 HydrophobicContact CG1-CG2 4.4Å; P645-I735 WeakPolarHBondContact O-CG2 3.49Å; A647-I735 HydrophobicContact CB-CD1 4.39Å; L650-I735 HydrophobicContact CD1-CD1 3.98Å; L650-I735 HydrophobicContact CD1-CG1 4.24Å; L650-I735 HydrophobicContact CG-CG1 4.36Å; L727-I735 HydrophobicContact CD1-CD1 3.86Å; E731-I735 VanDerWaalsContact O-CG1 3.29Å; E731-I735 WeakPolarHBondContact O-CG1 3.48Å; E731-I735 PolarHBondContact O-N 3.48Å; I735-S738 PolarHBondContact O-N 2.68Å; I735-R739 WeakPolarHBondContact O-CG 3.31Å; I735-R739 PolarHBondContact O-N 3.02Å |
| 736 | A | 69.9 | Low | 66.2 | Low | 49 Ų | 49 | 80.6 Ų | 80.6 | 41% | 0.405 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F732 E733 K734 I740 | F732-A736 WeakPolarHBondContact O-CB 3.48Å; F732-A736 PolarHBondContact O-N 3.03Å; E733-A736 WeakPolarHBondContact O-CB 3.44Å; E733-A736 PolarHBondContact O-N 2.89Å; K734-A736 VanDerWaalsContact C-N 3.28Å; K734-A736 PolarHBondContact O-N 3.41Å; A736-I740 WeakPolarHBondContact O-CD1 3.33Å; A736-I740 VanDerWaalsContact O-CG1 3.26Å; A736-I740 WeakPolarHBondContact O-CG1 3.07Å; A736-I740 PolarHBondContact O-N 2.94Å |
| 737 | T | 63.3 | Low | 64.5 | Low | 81 Ų | 81 | 78.5 Ų | 78.5 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 175.7 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | E733 K734 R739 I740 V741 | E733-T737 WeakPolarHBondContact O-CG2 3.38Å; E733-T737 PolarHBondContact O-N 3.5Å; E733-T737 PolarHBondContact O-OG1 3.19Å; K734-T737 WeakPolarHBondContact CA-OG1 3.36Å; K734-T737 PolarHBondContact O-N 3.02Å; K734-T737 VanDerWaalsContact O-N 3.08Å; K734-T737 PolarHBondContact O-OG1 3.01Å; T737-R739 PolarHBondContact O-N 3.4Å; T737-I740 WeakPolarHBondContact O-CB 3.34Å; T737-I740 PolarHBondContact O-N 3.42Å; T737-I740 VanDerWaalsContact O-N 3.14Å; T737-V741 WeakPolarHBondContact O-CG2 3.17Å; T737-V741 PolarHBondContact O-N 3.31Å |
| 738 | S | 62.8 | Low | 62.4 | Low | 31 Ų | 31 | 82.3 Ų | 82.3 | 22% | 0.217 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 178.9 | -55.1 | 0 | 0 | 0 | 0 | 112 | N649 K734 I735 I740 V741 D742 | N649-S738 VanDerWaalsContact ND2-CB 3.26Å; N649-S738 WeakPolarHBondContact ND2-CB 3.4Å; K734-S738 PolarHBondContact O-N 2.77Å; K734-S738 PolarHBondContact O-OG 3.45Å; I735-S738 PolarHBondContact O-N 2.68Å; S738-I740 VanDerWaalsContact C-N 3.28Å; S738-I740 PolarHBondContact O-N 3.41Å; S738-V741 WeakPolarHBondContact O-CA 3.45Å; S738-V741 WeakPolarHBondContact O-CB 3.46Å; S738-V741 PolarHBondContact O-N 2.76Å; S738-D742 PolarHBondContact O-N 3.2Å |
| 739 | R | 64 | Low | 59.9 | Low | 110 Ų | 110 | 90.5 Ų | 90.5 | 42% | 0.415 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -35.1 | 174.2 | -73.8 | -171.7 | -176.6 | -177.1 | 9.6 | 113.1 | P645 I735 T737 S743 | P645-R739 PolarHBondContact O-NE 3.11Å; P645-R739 PolarHBondContact O-NH2 3.26Å; I735-R739 WeakPolarHBondContact O-CG 3.31Å; I735-R739 PolarHBondContact O-N 3.02Å; T737-R739 PolarHBondContact O-N 3.4Å; R739-S743 VanDerWaalsContact O-CB 3.27Å; R739-S743 WeakPolarHBondContact O-CB 3.26Å; R739-S743 PolarHBondContact O-N 2.87Å; R739-S743 PolarHBondContact O-OG 3.34Å |
| 740 | I | 56.2 | Low | 57.6 | Low | 98 Ų | 98 | 93 Ų | 93 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 174.2 | -68.3 | 163.3 | 0 | 0 | 0 | 109.3 | A736 T737 S738 S743 V744 | A736-I740 WeakPolarHBondContact O-CD1 3.33Å; A736-I740 VanDerWaalsContact O-CG1 3.26Å; A736-I740 WeakPolarHBondContact O-CG1 3.07Å; A736-I740 PolarHBondContact O-N 2.94Å; T737-I740 WeakPolarHBondContact O-CB 3.34Å; T737-I740 PolarHBondContact O-N 3.42Å; T737-I740 VanDerWaalsContact O-N 3.14Å; S738-I740 VanDerWaalsContact C-N 3.28Å; S738-I740 PolarHBondContact O-N 3.41Å; I740-S743 PolarHBondContact O-N 2.93Å; I740-S743 PolarHBondContact O-OG 3.24Å; I740-V744 HydrophobicContact CG2-CG2 4.48Å; I740-V744 WeakPolarHBondContact O-CB 3.33Å; I740-V744 WeakPolarHBondContact O-CG2 3.32Å; I740-V744 PolarHBondContact O-N 2.87Å |
| 741 | V | 52.4 | Low | 55.5 | Low | 77 Ų | 77 | 99.9 Ų | 99.9 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -49.3 | 177 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | T737 S738 S743 V744 L745 | T737-V741 WeakPolarHBondContact O-CG2 3.17Å; T737-V741 PolarHBondContact O-N 3.31Å; S738-V741 WeakPolarHBondContact O-CA 3.45Å; S738-V741 WeakPolarHBondContact O-CB 3.46Å; S738-V741 PolarHBondContact O-N 2.76Å; V741-S743 PolarHBondContact O-N 3.34Å; V741-V744 PolarHBondContact O-N 3.39Å; V741-L745 HydrophobicContact CG1-CD1 3.7Å; V741-L745 HydrophobicContact CG1-CG 4.09Å; V741-L745 WeakPolarHBondContact O-CG 3.18Å; V741-L745 PolarHBondContact O-N 3.11Å |
| 742 | D | 55.8 | Low | 53 | Low | 90 Ų | 90 | 109.1 Ų | 109.1 | 48% | 0.481 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.1 | -34.3 | 179.1 | -69 | -25.5 | 0 | 0 | 0 | 112.6 | S738 V744 | S738-D742 PolarHBondContact O-N 3.2Å; D742-V744 VanDerWaalsContact C-N 3.31Å; D742-V744 PolarHBondContact O-N 3.18Å |
| 743 | S | 51.7 | Low | 50.7 | Low | 48 Ų | 48 | 109.2 Ų | 109.2 | 34% | 0.336 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -75.8 | -17.5 | 177 | 73.2 | 0 | 0 | 0 | 0 | 114.4 | R739 I740 V741 N757 | R739-S743 VanDerWaalsContact O-CB 3.27Å; R739-S743 WeakPolarHBondContact O-CB 3.26Å; R739-S743 PolarHBondContact O-N 2.87Å; R739-S743 PolarHBondContact O-OG 3.34Å; I740-S743 PolarHBondContact O-N 2.93Å; I740-S743 PolarHBondContact O-OG 3.24Å; V741-S743 PolarHBondContact O-N 3.34Å; S743-N757 WeakPolarHBondContact CB-OD1 3.37Å; S743-N757 PolarHBondContact OG-ND2 3.03Å; S743-N757 PolarHBondContact OG-OD1 3.06Å |
| 744 | V | 47.7 | Very low | 48.5 | Very low | 99 Ų | 99 | 110.3 Ų | 110.3 | 60% | 0.6 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -101.5 | -28.7 | -175.7 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | I740 V741 D742 P746 | I740-V744 HydrophobicContact CG2-CG2 4.48Å; I740-V744 WeakPolarHBondContact O-CB 3.33Å; I740-V744 WeakPolarHBondContact O-CG2 3.32Å; I740-V744 PolarHBondContact O-N 2.87Å; V741-V744 PolarHBondContact O-N 3.39Å; D742-V744 VanDerWaalsContact C-N 3.31Å; D742-V744 PolarHBondContact O-N 3.18Å; V744-P746 WeakPolarHBondContact O-CD 3.4Å |
| 745 | L | 40.1 | Very low | 46.7 | Very low | 121 Ų | 121 | 111 Ų | 111 | 63% | 0.634 | 59% | 0.593 | S | S | * | * | trans | -74.4 | 111.9 | 179.1 | -70.4 | 177.2 | 0 | 0 | 0 | 111.5 | V741 | V741-L745 HydrophobicContact CG1-CD1 3.7Å; V741-L745 HydrophobicContact CG1-CG 4.09Å; V741-L745 WeakPolarHBondContact O-CG 3.18Å; V741-L745 PolarHBondContact O-N 3.11Å | ||
| 746 | P | 40.1 | Very low | 44.7 | Very low | 102 Ų | 102 | 113.8 Ų | 113.8 | 66% | 0.662 | 61% | 0.613 | S | S | * | * | trans | -80.9 | 123.5 | 173.1 | 30.4 | -24.5 | 0 | 0 | 0 | 109.6 | V744 S748 | V744-P746 WeakPolarHBondContact O-CD 3.4Å; P746-S748 PolarHBondContact O-N 3.11Å | ||
| 747 | A | 45.8 | Very low | 42.9 | Very low | 88 Ų | 88 | 114.9 Ų | 114.9 | 73% | 0.727 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -59.9 | 102.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 748 | S | 37.5 | Very low | 41.5 | Very low | 101 Ų | 101 | 114.1 Ų | 114.1 | 71% | 0.706 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 68.5 | 105.2 | 176.7 | -173.7 | 0 | 0 | 0 | 0 | 116.9 | P746 | P746-S748 PolarHBondContact O-N 3.11Š|
| 749 | R | 31.1 | Very low | 40.3 | Very low | 229 Ų | 229 | 115.1 Ų | 115.1 | 86% | 0.864 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 38.3 | 115.4 | 144.9 | -68.2 | 177.8 | 175.4 | 171.5 | -0.9 | 118.5 | ||
| 750 | K | 34.1 | Very low | 38.9 | Very low | 193 Ų | 193 | 113.1 Ų | 113.1 | 84% | 0.839 | 62% | 0.624 | S | S | * | * | trans | 106.3 | 103.5 | 154.4 | -63.9 | 177 | 176.7 | 175.2 | 0 | 116.9 | ||||
| 751 | R | 31.3 | Very low | 37.9 | Very low | 231 Ų | 231 | 113 Ų | 113 | 87% | 0.872 | 62% | 0.624 | S | S | * | * | trans | 75.7 | 108.9 | 140.2 | -66.5 | -177.9 | 171.1 | 171.7 | -2 | 119.2 | ||||
| 752 | K | 27.6 | Very low | 37.3 | Very low | 211 Ų | 211 | 110.4 Ų | 110.4 | 92% | 0.917 | 61% | 0.611 | S | S | * | * | trans | 51.8 | 95.3 | 135.9 | -69.2 | -177.8 | 175.7 | 175.2 | 0 | 117.5 | ||||
| 753 | S | 31.2 | Very low | 36.5 | Very low | 92 Ų | 92 | 109.9 Ų | 109.9 | 64% | 0.643 | 62% | 0.619 | S | S | * | * | trans | -154.8 | 94.1 | 147 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | L755 | S753-L755 PolarHBondContact O-N 3.35Š| ||
| 754 | C | 28.2 | Very low | 36.3 | Very low | 138 Ų | 138 | 112 Ų | 112 | 93% | 0.932 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 35 | 177.6 | -163.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 755 | L | 35.3 | Very low | 36.8 | Very low | 135 Ų | 135 | 111 Ų | 111 | 71% | 0.707 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | -3.5 | -171.7 | -97.5 | 128.8 | 0 | 0 | 0 | 114.8 | S753 | S753-L755 PolarHBondContact O-N 3.35Š|
| 756 | S | 32.1 | Very low | 38.2 | Very low | 65 Ų | 65 | 106.6 Ų | 106.6 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -69.5 | -34.4 | -176.9 | 41.9 | 0 | 0 | 0 | 0 | 113.6 | A758 | S756-A758 PolarHBondContact O-N 2.69Š|
| 757 | N | 32.4 | Very low | 39.6 | Very low | 73 Ų | 73 | 101.9 Ų | 101.9 | 39% | 0.39 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -81.5 | -9.7 | -167.7 | -69.9 | 2.2 | 0 | 0 | 0 | 115.5 | S743 L759 | S743-N757 WeakPolarHBondContact CB-OD1 3.37Å; S743-N757 PolarHBondContact OG-ND2 3.03Å; S743-N757 PolarHBondContact OG-OD1 3.06Å; N757-L759 VanDerWaalsContact C-N 3.32Å |
| 758 | A | 33.7 | Very low | 41.1 | Very low | 64 Ų | 64 | 102.9 Ų | 102.9 | 53% | 0.529 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -78.7 | -16.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S756 | S756-A758 PolarHBondContact O-N 2.69Š|
| 759 | L | 38.1 | Very low | 43.2 | Very low | 53 Ų | 53 | 100.4 Ų | 100.4 | 28% | 0.277 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -18.1 | -167.5 | -70.9 | 165.6 | 0 | 0 | 0 | 114.6 | R607 N757 A762 | R607-L759 PolarHBondContact NH1-O 3.14Å; N757-L759 VanDerWaalsContact C-N 3.32Å; L759-A762 WeakPolarHBondContact O-CB 3.34Å; L759-A762 PolarHBondContact O-N 3.35Å |
| 760 | A | 33.7 | Very low | 45.7 | Very low | 68 Ų | 68 | 97.5 Ų | 97.5 | 56% | 0.562 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -39.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A762 | A760-A762 PolarHBondContact O-N 2.96Š|
| 761 | D | 36.7 | Very low | 48.1 | Very low | 94 Ų | 94 | 91.7 Ų | 91.7 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -16.3 | 168.2 | -77 | -6.7 | 0 | 0 | 0 | 113.4 | A763 A764 K765 | D761-A763 PolarHBondContact O-N 3.35Å; D761-A764 PolarHBondContact O-N 3.38Å; D761-K765 HydrophobicContact CB-CD 3.98Å; D761-K765 VanDerWaalsContact CB-CE 3.42Å; D761-K765 WeakPolarHBondContact O-CB 3.34Å; D761-K765 WeakPolarHBondContact O-CD 3.18Å; D761-K765 WeakPolarHBondContact O-CG 3.49Å; D761-K765 PolarHBondContact O-N 3.43Å; D761-K765 IonicContact OD2-NZ 3.4Å; D761-K765 PolarHBondContact OD2-NZ 3.3Å |
| 762 | A | 38.4 | Very low | 50.7 | Low | 23 Ų | 23 | 80.7 Ų | 80.7 | 19% | 0.19 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -31.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L759 A760 A764 K765 | L759-A762 WeakPolarHBondContact O-CB 3.34Å; L759-A762 PolarHBondContact O-N 3.35Å; A760-A762 PolarHBondContact O-N 2.96Å; A762-A764 VanDerWaalsContact C-N 3.31Å; A762-A764 PolarHBondContact O-N 3.29Å; A762-K765 PolarHBondContact O-N 3.04Å; A762-K765 VanDerWaalsContact O-N 3.1Å; A762-K765 VanDerWaalsContact O-O 3.09Å |
| 763 | A | 40.4 | Very low | 53.5 | Low | 80 Ų | 80 | 74.6 Ų | 74.6 | 66% | 0.661 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -35.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D761 | D761-A763 PolarHBondContact O-N 3.35Š|
| 764 | A | 47.5 | Very low | 55.9 | Low | 93 Ų | 93 | 74.5 Ų | 74.5 | 77% | 0.769 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -12.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D761 A762 V766 | D761-A764 PolarHBondContact O-N 3.38Å; A762-A764 VanDerWaalsContact C-N 3.31Å; A762-A764 PolarHBondContact O-N 3.29Å; A764-V766 PolarHBondContact O-N 2.87Å |
| 765 | K | 58.3 | Low | 58.6 | Low | 76 Ų | 76 | 70.3 Ų | 70.3 | 33% | 0.33 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -85.7 | 113.7 | 176.6 | -77.5 | 163.7 | -177.2 | 156.5 | 0 | 108.7 | R570 D761 A762 A767 | R570-K765 PolarHBondContact NH2-O 3.31Å; D761-K765 HydrophobicContact CB-CD 3.98Å; D761-K765 VanDerWaalsContact CB-CE 3.42Å; D761-K765 WeakPolarHBondContact O-CB 3.34Å; D761-K765 WeakPolarHBondContact O-CD 3.18Å; D761-K765 WeakPolarHBondContact O-CG 3.49Å; D761-K765 PolarHBondContact O-N 3.43Å; D761-K765 IonicContact OD2-NZ 3.4Å; D761-K765 PolarHBondContact OD2-NZ 3.3Å; A762-K765 PolarHBondContact O-N 3.04Å; A762-K765 VanDerWaalsContact O-N 3.1Å; A762-K765 VanDerWaalsContact O-O 3.09Å; K765-A767 PolarHBondContact O-N 2.86Å |
| 766 | V | 69.5 | Low | 60.6 | Low | 29 Ų | 29 | 67.9 Ų | 67.9 | 18% | 0.176 | 39% | 0.386 | C | S | . | . | trans | -53 | 130.8 | 164.1 | 174.2 | 0 | 0 | 0 | 0 | 109.5 | F446 M492 H525 A764 R768 | F446-V766 HydrophobicContact CE1-CB 3.67Å; F446-V766 HydrophobicContact CE1-CG1 4.33Å; F446-V766 HydrophobicContact CE1-CG2 3.55Å; F446-V766 HydrophobicContact CE2-CB 4.5Å; F446-V766 HydrophobicContact CZ-CB 3.35Å; F446-V766 HydrophobicContact CZ-CG1 3.6Å; F446-V766 HydrophobicContact CZ-CG2 3.71Å; M492-V766 HydrophobicContact CE-CB 4.4Å; M492-V766 HydrophobicContact CE-CG1 3.83Å; M492-V766 HydrophobicContact CE-CG2 3.65Å; M492-V766 HydrophobicContact SD-CB 4.15Å; M492-V766 HydrophobicContact SD-CG1 3.44Å; M492-V766 WeakPolarHBondContact SD-CG1 3.47Å; M492-V766 HydrophobicContact SD-CG2 3.74Å; H525-V766 WeakPolarHBondContact NE2-CG1 3.3Å; A764-V766 PolarHBondContact O-N 2.87Å; V766-R768 PolarHBondContact O-N 3.17Å | ||
| 767 | A | 68 | Low | 62.8 | Low | 4 Ų | 4 | 70.7 Ų | 70.7 | 3% | 0.033 | 39% | 0.39 | C | S | . | . | trans | -55 | 138.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L521 A524 H525 E566 K765 | L521-A767 HydrophobicContact CD1-CB 3.79Å; L521-A767 WeakPolarHBondContact CD1-O 3.3Å; A524-A767 HydrophobicContact CB-CB 4.37Å; H525-A767 PolarHBondContact NE2-O 2.73Å; E566-A767 HydrophobicContact CG-CB 4.48Å; K765-A767 PolarHBondContact O-N 2.86Å | ||
| 768 | R | 77.2 | Confident | 64.6 | Low | 108 Ų | 108 | 77.8 Ų | 77.8 | 41% | 0.408 | 41% | 0.411 | S | S | . | . | trans | -113.2 | 151.3 | 176.9 | -56.3 | 176.2 | 177.5 | -158.5 | -9.3 | 109.3 | V766 K770 D771 | V766-R768 PolarHBondContact O-N 3.17Å; R768-K770 PolarHBondContact O-N 3.34Å; R768-K770 VanDerWaalsContact O-N 3.11Å; R768-D771 WeakPolarHBondContact CB-OD2 3.49Å; R768-D771 PolarHBondContact N-OD2 3.35Å; R768-D771 WeakPolarHBondContact O-CB 3.26Å; R768-D771 PolarHBondContact O-N 3.01Å | ||
| 769 | L | 83.5 | Confident | 66.2 | Low | 50 Ų | 50 | 78 Ų | 78 | 26% | 0.262 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -53.4 | -36.9 | 175.9 | -168.8 | 65.2 | 0 | 0 | 0 | 112.2 | T517 K518 L521 D771 I772 E773 | T517-L769 WeakPolarHBondContact O-CD1 3.41Å; K518-L769 HydrophobicContact CG-CD1 4.12Å; K518-L769 HydrophobicContact CG-CD2 4.32Å; L521-L769 HydrophobicContact CB-CD1 4.49Å; L521-L769 HydrophobicContact CD2-CB 4.11Å; L521-L769 HydrophobicContact CD2-CD1 4.34Å; L769-D771 PolarHBondContact O-N 3.08Å; L769-I772 PolarHBondContact O-N 2.95Å; L769-E773 HydrophobicContact CG-CG 4.38Å; L769-E773 WeakPolarHBondContact CG-OE1 3.44Å; L769-E773 PolarHBondContact O-N 3.2Å |
| 770 | K | 82.6 | Confident | 67.5 | Low | 168 Ų | 168 | 84.1 Ų | 84.1 | 73% | 0.73 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.9 | -27.1 | 177 | -66.1 | -176.6 | 179.1 | -180 | 0 | 114.2 | R768 H774 | R768-K770 PolarHBondContact O-N 3.34Å; R768-K770 VanDerWaalsContact O-N 3.11Å; K770-H774 WeakPolarHBondContact O-CB 3.39Å; K770-H774 PolarHBondContact O-N 2.77Å |
| 771 | D | 83.8 | Confident | 69.2 | Low | 71 Ų | 71 | 85.7 Ų | 85.7 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -78.2 | -32.9 | -179.8 | -57.9 | -40 | 0 | 0 | 0 | 110.5 | R768 L769 | R768-D771 WeakPolarHBondContact CB-OD2 3.49Å; R768-D771 PolarHBondContact N-OD2 3.35Å; R768-D771 WeakPolarHBondContact O-CB 3.26Å; R768-D771 PolarHBondContact O-N 3.01Å; L769-D771 PolarHBondContact O-N 3.08Å |
| 772 | I | 85.8 | Confident | 71.1 | Confident | 0 Ų | 0 | 87.3 Ų | 87.3 | 0% | 0 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -75.4 | -48.2 | 175.4 | -63.9 | 175.9 | 0 | 0 | 0 | 110.9 | L520 L521 V559 N562 A563 E566 L769 H774 | L520-I772 HydrophobicContact CB-CD1 4.38Å; L520-I772 HydrophobicContact CB-CG2 4.47Å; L521-I772 VanDerWaalsContact CA-CD1 3.47Å; L521-I772 HydrophobicContact CB-CD1 3.75Å; L521-I772 HydrophobicContact CD1-CD1 3.74Å; L521-I772 HydrophobicContact CG-CD1 4.38Å; V559-I772 HydrophobicContact CG1-CG2 3.88Å; N562-I772 WeakPolarHBondContact CB-O 3.43Å; N562-I772 PolarHBondContact ND2-O 3.42Å; A563-I772 HydrophobicContact CB-CG2 4.32Å; E566-I772 HydrophobicContact CG-CG1 4.46Å; L769-I772 PolarHBondContact O-N 2.95Å; I772-H774 PolarHBondContact O-N 3.3Å; I772-H774 VanDerWaalsContact O-N 3.17Å |
| 773 | E | 86.2 | Confident | 73.1 | Confident | 83 Ų | 83 | 94.3 Ų | 94.3 | 39% | 0.388 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -74.9 | 1.5 | 179.7 | -67.4 | 176.1 | 176.1 | 0 | 0 | 113.5 | T517 L769 L775 | T517-E773 VanDerWaalsContact CB-OE1 3.3Å; T517-E773 WeakPolarHBondContact CB-OE1 3.47Å; T517-E773 HydrophobicContact CG2-CG 3.82Å; T517-E773 PolarHBondContact OG1-OE1 3.44Å; L769-E773 HydrophobicContact CG-CG 4.38Å; L769-E773 WeakPolarHBondContact CG-OE1 3.44Å; L769-E773 PolarHBondContact O-N 3.2Å; E773-L775 PolarHBondContact O-N 3.12Å |
| 774 | H | 83.4 | Confident | 75.1 | Confident | 89 Ų | 89 | 97 Ų | 97 | 41% | 0.412 | 46% | 0.464 | S | S | . | . | trans | -65.4 | 110.4 | -172.5 | -168.9 | 61.1 | 0 | 0 | 0 | 112.9 | N562 K770 I772 H776 | N562-H774 PolarHBondContact ND2-O 3.1Å; N562-H774 VanDerWaalsContact ND2-O 3.13Å; K770-H774 WeakPolarHBondContact O-CB 3.39Å; K770-H774 PolarHBondContact O-N 2.77Å; I772-H774 PolarHBondContact O-N 3.3Å; I772-H774 VanDerWaalsContact O-N 3.17Å; H774-H776 AromaticContact CD2-CE1 3.79Å; H774-H776 AromaticContact CD2-ND1 3.98Å; H774-H776 AromaticContact CD2-NE2 3.88Å; H774-H776 AromaticContact NE2-CE1 3.67Å; H774-H776 AromaticContact NE2-ND1 3.55Å | ||
| 775 | L | 83.3 | Confident | 76.6 | Confident | 50 Ų | 50 | 94 Ų | 94 | 26% | 0.262 | 44% | 0.44 | S | S | . | . | trans | -100.4 | 112.1 | 170.5 | -66.2 | 160.4 | 0 | 0 | 0 | 110.2 | E555 T558 N593 E773 K777 | E555-L775 HydrophobicContact CG-CD2 4.31Å; T558-L775 HydrophobicContact CG2-CD2 4.17Å; N593-L775 HydrophobicContact CB-CD2 4.2Å; N593-L775 WeakPolarHBondContact ND2-CD2 3.23Å; E773-L775 PolarHBondContact O-N 3.12Å; L775-K777 VanDerWaalsContact C-N 3.28Å; L775-K777 PolarHBondContact O-N 3.46Å | ||
| 776 | H | 79.1 | Confident | 77.5 | Confident | 84 Ų | 84 | 97.1 Ų | 97.1 | 39% | 0.389 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -61.3 | -33.3 | -179.8 | -81 | -73.1 | 0 | 0 | 0 | 114.2 | N593 M596 H774 | N593-H776 PolarHBondContact OD1-N 3.4Å; M596-H776 HydrophobicContact CB-CB 4.37Å; M596-H776 WeakPolarHBondContact CB-CD2 3.45Å; M596-H776 HydrophobicContact CG-CB 4.28Å; H774-H776 AromaticContact CD2-CE1 3.79Å; H774-H776 AromaticContact CD2-ND1 3.98Å; H774-H776 AromaticContact CD2-NE2 3.88Å; H774-H776 AromaticContact NE2-CE1 3.67Å; H774-H776 AromaticContact NE2-ND1 3.55Å |
| 777 | K | 77.8 | Confident | 78.1 | Confident | 124 Ų | 124 | 99.3 Ų | 99.3 | 54% | 0.539 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -123 | 114.1 | 174.9 | -172 | 179.2 | -178.5 | -177.4 | 0 | 106.9 | N593 L775 | N593-K777 PolarHBondContact ND2-O 3.38Å; N593-K777 WeakPolarHBondContact OD1-CA 3.49Å; N593-K777 WeakPolarHBondContact OD1-CB 3.23Å; N593-K777 PolarHBondContact OD1-N 3.44Å; N593-K777 PolarHBondContact OD1-O 3.32Å; L775-K777 VanDerWaalsContact C-N 3.28Å; L775-K777 PolarHBondContact O-N 3.46Å |
| 778 | R | 69.4 | Low | 78.8 | Confident | 222 Ų | 222 | 104.4 Ų | 104.4 | 84% | 0.838 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 142.2 | 175.1 | -67 | -175.5 | 176.9 | -172.3 | -3.1 | 110 | ||
| 779 | P | 67.2 | Low | 78.8 | Confident | 70 Ų | 70 | 102.5 Ų | 102.5 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 151 | 171.7 | -24.2 | 33.5 | 0 | 0 | 0 | 111.1 | E555 L781 | E555-P779 WeakPolarHBondContact OE1-CG 3.46Å; P779-L781 PolarHBondContact O-N 2.99Å |
| 780 | K | 66 | Low | 78.7 | Confident | 180 Ų | 180 | 103.3 Ų | 103.3 | 78% | 0.783 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 119.9 | 171.5 | -70.5 | 179.6 | -179.2 | 174.8 | 0 | 107.1 | ||
| 781 | L | 68.6 | Low | 78.5 | Confident | 102 Ų | 102 | 102 Ų | 102 | 53% | 0.534 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 139.8 | 174.4 | -66.9 | 168.6 | 0 | 0 | 0 | 110.8 | P779 A785 R786 | P779-L781 PolarHBondContact O-N 2.99Å; L781-A785 HydrophobicContact CB-CB 4.13Å; L781-A785 HydrophobicContact CD2-CB 4.19Å; L781-R786 PolarHBondContact O-NH2 3.41Å |
| 782 | D | 77.2 | Confident | 78.3 | Confident | 128 Ų | 128 | 102.3 Ų | 102.3 | 68% | 0.684 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 156.5 | 170.4 | -76.6 | -27.2 | 0 | 0 | 0 | 111.3 | Q784 A785 R786 | D782-Q784 PolarHBondContact O-N 3.02Å; D782-A785 PolarHBondContact O-N 3.42Å; D782-R786 WeakPolarHBondContact O-CB 3.36Å; D782-R786 PolarHBondContact O-N 3.39Å |
| 783 | K | 80.1 | Confident | 77.8 | Confident | 170 Ų | 170 | 104.3 Ų | 104.3 | 74% | 0.739 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -54.7 | -40.1 | 179.7 | -171.5 | -178.8 | 177.3 | -173.7 | 0 | 111 | R786 I787 | K783-R786 PolarHBondContact O-N 3.41Å; K783-I787 HydrophobicContact CG-CD1 4.09Å; K783-I787 WeakPolarHBondContact O-CD1 3.41Å; K783-I787 VanDerWaalsContact O-CG1 3.25Å; K783-I787 WeakPolarHBondContact O-CG1 3.49Å; K783-I787 PolarHBondContact O-N 2.95Å |
| 784 | Q | 81.9 | Confident | 77.2 | Confident | 135 Ų | 135 | 109 Ų | 109 | 63% | 0.631 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.7 | -57.6 | 176.5 | -155.9 | 82.7 | -2.3 | 0 | 0 | 111.6 | D782 R786 I787 E788 | D782-Q784 PolarHBondContact O-N 3.02Å; Q784-R786 PolarHBondContact O-N 3.02Å; Q784-I787 WeakPolarHBondContact O-CA 3.26Å; Q784-I787 WeakPolarHBondContact O-CB 3.2Å; Q784-I787 PolarHBondContact O-N 3.43Å; Q784-E788 PolarHBondContact O-N 2.86Å |
| 785 | A | 78.7 | Confident | 76.4 | Confident | 32 Ų | 32 | 113.8 Ų | 113.8 | 26% | 0.264 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.7 | -32.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L781 D782 S789 | L781-A785 HydrophobicContact CB-CB 4.13Å; L781-A785 HydrophobicContact CD2-CB 4.19Å; D782-A785 PolarHBondContact O-N 3.42Å; A785-S789 VanDerWaalsContact O-CB 3.31Å; A785-S789 WeakPolarHBondContact O-CB 3.16Å; A785-S789 PolarHBondContact O-N 2.9Å |
| 786 | R | 77.8 | Confident | 75.7 | Confident | 141 Ų | 141 | 114.9 Ų | 114.9 | 53% | 0.532 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.4 | -42.7 | 172.8 | -169.8 | 179.7 | -63.4 | 167.5 | 8.2 | 111.6 | L781 D782 K783 Q784 S789 V790 | L781-R786 PolarHBondContact O-NH2 3.41Å; D782-R786 WeakPolarHBondContact O-CB 3.36Å; D782-R786 PolarHBondContact O-N 3.39Å; K783-R786 PolarHBondContact O-N 3.41Å; Q784-R786 PolarHBondContact O-N 3.02Å; R786-S789 PolarHBondContact O-N 3.45Å; R786-V790 WeakPolarHBondContact O-CB 3.07Å; R786-V790 WeakPolarHBondContact O-CG2 3.32Å; R786-V790 PolarHBondContact O-N 3.03Å |
| 787 | I | 81.7 | Confident | 74.9 | Confident | 74 Ų | 74 | 119.3 Ų | 119.3 | 38% | 0.379 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.4 | -42 | 175.6 | -69.6 | 163 | 0 | 0 | 0 | 110.2 | K783 Q784 V790 K791 | K783-I787 HydrophobicContact CG-CD1 4.09Å; K783-I787 WeakPolarHBondContact O-CD1 3.41Å; K783-I787 VanDerWaalsContact O-CG1 3.25Å; K783-I787 WeakPolarHBondContact O-CG1 3.49Å; K783-I787 PolarHBondContact O-N 2.95Å; Q784-I787 WeakPolarHBondContact O-CA 3.26Å; Q784-I787 WeakPolarHBondContact O-CB 3.2Å; Q784-I787 PolarHBondContact O-N 3.43Å; I787-V790 CarbonylContact O-C 3.57Å; I787-V790 PolarHBondContact O-N 2.89Å; I787-K791 HydrophobicContact CG2-CD 4.14Å; I787-K791 HydrophobicContact CG2-CG 4.32Å; I787-K791 WeakPolarHBondContact O-CB 3.31Å; I787-K791 WeakPolarHBondContact O-CG 3.34Å; I787-K791 PolarHBondContact O-N 3.48Å |
| 788 | E | 82.7 | Confident | 74 | Confident | 112 Ų | 112 | 122.4 Ų | 122.4 | 52% | 0.523 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.6 | -47.1 | 175.6 | -75.2 | 167.3 | -168 | 0 | 0 | 112.1 | Q784 V790 K791 S792 | Q784-E788 PolarHBondContact O-N 2.86Å; E788-V790 VanDerWaalsContact C-N 3.26Å; E788-V790 PolarHBondContact O-N 3.12Å; E788-K791 PolarHBondContact O-N 2.97Å; E788-K791 VanDerWaalsContact O-N 3.15Å; E788-S792 PolarHBondContact O-N 3.08Å; E788-S792 PolarHBondContact O-OG 2.71Å |
| 789 | S | 79 | Confident | 73.5 | Confident | 68 Ų | 68 | 119.2 Ų | 119.2 | 48% | 0.476 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.1 | -34.6 | 174.3 | 177 | 0 | 0 | 0 | 0 | 112.6 | A785 R786 S792 G793 | A785-S789 VanDerWaalsContact O-CB 3.31Å; A785-S789 WeakPolarHBondContact O-CB 3.16Å; A785-S789 PolarHBondContact O-N 2.9Å; R786-S789 PolarHBondContact O-N 3.45Å; S789-S792 PolarHBondContact O-OG 3.46Å; S789-S792 VanDerWaalsContact O-OG 3.1Å; S789-G793 PolarHBondContact O-N 3.15Å; S789-G793 VanDerWaalsContact O-N 3.15Å |
| 790 | V | 81.1 | Confident | 73.2 | Confident | 66 Ų | 66 | 124.9 Ų | 124.9 | 40% | 0.4 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -72.8 | -39.3 | 174.4 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | R786 I787 E788 R794 | R786-V790 WeakPolarHBondContact O-CB 3.07Å; R786-V790 WeakPolarHBondContact O-CG2 3.32Å; R786-V790 PolarHBondContact O-N 3.03Å; I787-V790 CarbonylContact O-C 3.57Å; I787-V790 PolarHBondContact O-N 2.89Å; E788-V790 VanDerWaalsContact C-N 3.26Å; E788-V790 PolarHBondContact O-N 3.12Å; V790-R794 VanDerWaalsContact O-CG 3.28Å; V790-R794 WeakPolarHBondContact O-CG 3.07Å; V790-R794 PolarHBondContact O-N 3.45Å; V790-R794 VanDerWaalsContact O-N 3.16Å |
| 791 | K | 78.3 | Confident | 72.9 | Confident | 140 Ų | 140 | 119 Ų | 119 | 61% | 0.609 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.6 | -44.7 | 176.6 | -79.1 | -178.6 | 178.2 | -177 | 0 | 111.4 | I787 E788 G793 R794 K795 | I787-K791 HydrophobicContact CG2-CD 4.14Å; I787-K791 HydrophobicContact CG2-CG 4.32Å; I787-K791 WeakPolarHBondContact O-CB 3.31Å; I787-K791 WeakPolarHBondContact O-CG 3.34Å; I787-K791 PolarHBondContact O-N 3.48Å; E788-K791 PolarHBondContact O-N 2.97Å; E788-K791 VanDerWaalsContact O-N 3.15Å; K791-G793 VanDerWaalsContact C-N 3.33Å; K791-G793 PolarHBondContact O-N 3.48Å; K791-R794 PolarHBondContact O-N 3.28Å; K791-K795 PolarHBondContact O-N 3.25Å; K791-K795 VanDerWaalsContact O-N 3.14Å |
| 792 | S | 79 | Confident | 72.3 | Confident | 79 Ų | 79 | 124.2 Ų | 124.2 | 55% | 0.552 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.7 | -39 | 176.5 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | E788 S789 R794 | E788-S792 PolarHBondContact O-N 3.08Å; E788-S792 PolarHBondContact O-OG 2.71Å; S789-S792 PolarHBondContact O-OG 3.46Å; S789-S792 VanDerWaalsContact O-OG 3.1Å; S792-R794 PolarHBondContact O-N 3.25Å |
| 793 | G | 76.2 | Confident | 71.4 | Confident | 42 Ų | 42 | 129.7 Ų | 129.7 | 43% | 0.433 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | -9.1 | 173 | 0 | 0 | 0 | 0 | 0 | 115.5 | S789 K791 | S789-G793 PolarHBondContact O-N 3.15Å; S789-G793 VanDerWaalsContact O-N 3.15Å; K791-G793 VanDerWaalsContact C-N 3.33Å; K791-G793 PolarHBondContact O-N 3.48Å |
| 794 | R | 72.5 | Confident | 70.4 | Confident | 182 Ų | 182 | 131.5 Ų | 131.5 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -26 | 176.4 | -79 | 178.5 | -176.7 | -171.7 | 2.1 | 113.5 | V790 K791 S792 G796 R797 | V790-R794 VanDerWaalsContact O-CG 3.28Å; V790-R794 WeakPolarHBondContact O-CG 3.07Å; V790-R794 PolarHBondContact O-N 3.45Å; V790-R794 VanDerWaalsContact O-N 3.16Å; K791-R794 PolarHBondContact O-N 3.28Å; S792-R794 PolarHBondContact O-N 3.25Å; R794-G796 PolarHBondContact O-N 3.26Å; R794-G796 VanDerWaalsContact O-N 3.14Å; R794-R797 PolarHBondContact O-N 3.45Å; R794-R797 VanDerWaalsContact O-N 3.09Å |
| 795 | K | 65.7 | Low | 69.2 | Low | 189 Ų | 189 | 136.2 Ų | 136.2 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | 117.7 | 172.1 | -76.2 | -172.7 | 173.2 | -173.1 | 0 | 108.7 | K791 | K791-K795 PolarHBondContact O-N 3.25Å; K791-K795 VanDerWaalsContact O-N 3.14Å |
| 796 | G | 68.6 | Low | 68 | Low | 73 Ų | 73 | 146.6 Ų | 146.6 | 75% | 0.753 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.8 | 8.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | R794 | R794-G796 PolarHBondContact O-N 3.26Å; R794-G796 VanDerWaalsContact O-N 3.14Å |
| 797 | R | 62.7 | Low | 67.3 | Low | 177 Ų | 177 | 141.8 Ų | 141.8 | 67% | 0.668 | 68% | 0.681 | S | S | * | * | trans | -111.4 | 10.9 | -179.3 | -103.9 | -176 | -175.8 | 176.2 | 1.9 | 116.1 | R794 D799 Y800 | R794-R797 PolarHBondContact O-N 3.45Å; R794-R797 VanDerWaalsContact O-N 3.09Å; R797-D799 PolarHBondContact O-N 2.87Å; R797-Y800 HydrophobicContact CG-CD2 4.03Å; R797-Y800 PolarHBondContact O-N 2.85Å; R797-Y800 VanDerWaalsContact O-N 3.15Å | ||
| 798 | E | 59 | Low | 66.2 | Low | 188 Ų | 188 | 144.5 Ų | 144.5 | 88% | 0.879 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -57.7 | -31.6 | -176.8 | -65.6 | -175.3 | 168.6 | 0 | 0 | 113 | Y800 | E798-Y800 PolarHBondContact O-N 3.22Š|
| 799 | D | 58.9 | Low | 65.2 | Low | 155 Ų | 155 | 145.8 Ų | 145.8 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -80.2 | -7.4 | -179.1 | -63.6 | -39.1 | 0 | 0 | 0 | 115.8 | R797 | R797-D799 PolarHBondContact O-N 2.87Š|
| 800 | Y | 60.7 | Low | 64.3 | Low | 190 Ų | 190 | 147.2 Ų | 147.2 | 75% | 0.745 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -97.4 | 19.6 | -172.6 | -67 | -85.4 | 0 | 0 | 0 | 114.6 | R797 E798 | R797-Y800 HydrophobicContact CG-CD2 4.03Å; R797-Y800 PolarHBondContact O-N 2.85Å; R797-Y800 VanDerWaalsContact O-N 3.15Å; E798-Y800 PolarHBondContact O-N 3.22Å |
| 801 | G | 60 | Low | 63.5 | Low | 57 Ų | 57 | 147.5 Ų | 147.5 | 59% | 0.588 | 73% | 0.732 | S | S | * | * | trans | -68.1 | 132.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | R803 | G801-R803 PolarHBondContact O-N 3.31Š| ||
| 802 | K | 57.1 | Low | 62.8 | Low | 210 Ų | 210 | 147.6 Ų | 147.6 | 91% | 0.913 | 73% | 0.729 | S | S | * | * | trans | -57.4 | 110 | 172.6 | -92.6 | -178.1 | 174.6 | 177.4 | 0 | 110.4 | K804 | K802-K804 PolarHBondContact O-N 3.17Š| ||
| 803 | R | 58 | Low | 62.1 | Low | 243 Ų | 243 | 147.6 Ų | 147.6 | 92% | 0.917 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 127.4 | 168.1 | -80.4 | -178.5 | 172.2 | -178.6 | -5.6 | 110.6 | G801 R805 | G801-R803 PolarHBondContact O-N 3.31Å; R803-R805 PolarHBondContact O-N 3.27Å |
| 804 | K | 59.2 | Low | 61.6 | Low | 208 Ų | 208 | 154.2 Ų | 154.2 | 90% | 0.904 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 119.6 | 171.8 | -70.4 | -178.9 | 178.2 | 178.3 | 0 | 109 | K802 | K802-K804 PolarHBondContact O-N 3.17Š|
| 805 | R | 56.1 | Low | 61.1 | Low | 234 Ų | 234 | 156.6 Ų | 156.6 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 125.5 | 178 | -69.7 | -165.4 | 171.7 | -160.2 | -3.4 | 110.5 | R803 V810 | R803-R805 PolarHBondContact O-N 3.27Å; R805-V810 WeakPolarHBondContact O-CG2 3.31Å |
| 806 | R | 53.9 | Low | 60.9 | Low | 251 Ų | 251 | 153.5 Ų | 153.5 | 95% | 0.947 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -104 | 118.9 | 166 | -63.3 | -172.9 | -178.9 | -154.6 | 1.3 | 107.7 | ||
| 807 | G | 62.3 | Low | 60.4 | Low | 39 Ų | 39 | 155.7 Ų | 155.7 | 40% | 0.402 | 74% | 0.736 | S | S | . | * | S | Bend | trans | -169.9 | 162.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | H809 V810 | G807-H809 PolarHBondContact O-N 3.46Å; G807-V810 WeakPolarHBondContact O-CB 3.3Å; G807-V810 WeakPolarHBondContact O-CG2 3.25Å; G807-V810 PolarHBondContact O-N 3.29Å |
| 808 | P | 59.7 | Low | 60.2 | Low | 132 Ų | 132 | 150.5 Ų | 150.5 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -9.4 | -169.4 | -21.4 | 31.4 | 0 | 0 | 0 | 115.8 | ||
| 809 | H | 61.4 | Low | 60.1 | Low | 138 Ų | 138 | 150.7 Ų | 150.7 | 64% | 0.639 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 10.7 | -178.7 | -64.2 | 80.2 | 0 | 0 | 0 | 113 | G807 G811 | G807-H809 PolarHBondContact O-N 3.46Å; H809-G811 PolarHBondContact O-N 3.15Å |
| 810 | V | 59.8 | Low | 60.1 | Low | 98 Ų | 98 | 155.1 Ų | 155.1 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 106.6 | 178.7 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | R805 G807 | R805-V810 WeakPolarHBondContact O-CG2 3.31Å; G807-V810 WeakPolarHBondContact O-CB 3.3Å; G807-V810 WeakPolarHBondContact O-CG2 3.25Å; G807-V810 PolarHBondContact O-N 3.29Å |
| 811 | G | 63.3 | Low | 60.1 | Low | 73 Ų | 73 | 152.1 Ų | 152.1 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 135.4 | -9.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | H809 T813 | H809-G811 PolarHBondContact O-N 3.15Å; G811-T813 PolarHBondContact O-N 3.25Å |
| 812 | R | 64.9 | Low | 60.5 | Low | 142 Ų | 142 | 152.3 Ų | 152.3 | 54% | 0.536 | 72% | 0.721 | S | S | . | * | trans | -67.1 | 129.7 | 179.3 | -66.6 | -164.8 | -178.4 | -175.9 | 1 | 111.9 | E816 L817 | R812-E816 WeakPolarHBondContact CA-OE2 3.27Å; R812-E816 HydrophobicContact CB-CB 4.24Å; R812-E816 WeakPolarHBondContact CB-OE2 3.3Å; R812-E816 WeakPolarHBondContact CG-OE2 3.38Å; R812-L817 HydrophobicContact CB-CD1 4.47Å; R812-L817 HydrophobicContact CB-CG 4.27Å | ||
| 813 | T | 64.1 | Low | 61.2 | Low | 78 Ų | 78 | 150.3 Ų | 150.3 | 48% | 0.479 | 71% | 0.712 | S | S | . | * | trans | -66 | 154.6 | 178 | 56.5 | 0 | 0 | 0 | 0 | 110.7 | G811 R815 E816 L817 | G811-T813 PolarHBondContact O-N 3.25Å; T813-R815 PolarHBondContact O-N 3.25Å; T813-E816 PolarHBondContact O-N 3.34Å; T813-L817 PolarHBondContact O-N 2.93Å | ||
| 814 | Q | 64.7 | Low | 62 | Low | 181 Ų | 181 | 142.6 Ų | 142.6 | 85% | 0.846 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -23.3 | 173.7 | -79.8 | -128.9 | 19.5 | 0 | 0 | 112.9 | A818 | Q814-A818 PolarHBondContact O-N 3.14Š|
| 815 | R | 62.5 | Low | 62.4 | Low | 232 Ų | 232 | 138.7 Ų | 138.7 | 88% | 0.875 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -39.2 | 175.2 | -151.3 | 177.4 | -172.5 | 175.2 | 0.7 | 112.1 | T813 A818 | T813-R815 PolarHBondContact O-N 3.25Å; R815-A818 WeakPolarHBondContact O-CB 3.34Å |
| 816 | E | 61.4 | Low | 63.2 | Low | 125 Ų | 125 | 130.6 Ų | 130.6 | 58% | 0.584 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -29.9 | 176.8 | -70.2 | 170.7 | -179.2 | 0 | 0 | 113 | R812 T813 A818 | R812-E816 WeakPolarHBondContact CA-OE2 3.27Å; R812-E816 HydrophobicContact CB-CB 4.24Å; R812-E816 WeakPolarHBondContact CB-OE2 3.3Å; R812-E816 WeakPolarHBondContact CG-OE2 3.38Å; T813-E816 PolarHBondContact O-N 3.34Å; E816-A818 PolarHBondContact O-N 2.98Å |
| 817 | L | 59.5 | Low | 64.3 | Low | 119 Ų | 119 | 125 Ų | 125 | 62% | 0.623 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -76.5 | -5.4 | 173.4 | -77.4 | 160.8 | 0 | 0 | 0 | 113.2 | R812 T813 K819 | R812-L817 HydrophobicContact CB-CD1 4.47Å; R812-L817 HydrophobicContact CB-CG 4.27Å; T813-L817 PolarHBondContact O-N 2.93Å; L817-K819 PolarHBondContact O-N 3.32Å |
| 818 | A | 58.4 | Low | 64.9 | Low | 67 Ų | 67 | 130.2 Ų | 130.2 | 55% | 0.554 | 66% | 0.655 | S | S | * | * | trans | -71.7 | 71.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q814 R815 E816 R820 | Q814-A818 PolarHBondContact O-N 3.14Å; R815-A818 WeakPolarHBondContact O-CB 3.34Å; E816-A818 PolarHBondContact O-N 2.98Å; A818-R820 PolarHBondContact O-N 3Å | ||
| 819 | K | 55.9 | Low | 65.4 | Low | 193 Ų | 193 | 131.2 Ų | 131.2 | 84% | 0.839 | 65% | 0.646 | S | S | * | * | trans | -55 | 111.7 | 157.3 | -71.8 | -173.7 | 177.8 | -174 | 0 | 106.5 | L817 K821 | L817-K819 PolarHBondContact O-N 3.32Å; K819-K821 PolarHBondContact O-N 3.19Å | ||
| 820 | R | 59.6 | Low | 65.9 | Low | 247 Ų | 247 | 127 Ų | 127 | 93% | 0.932 | 63% | 0.634 | S | S | * | * | trans | -44.8 | 105.5 | 171 | -74.4 | 176 | 166.6 | 178.2 | -4.3 | 107.3 | A818 A822 | A818-R820 PolarHBondContact O-N 3Å; R820-A822 PolarHBondContact O-N 3.15Å | ||
| 821 | K | 61 | Low | 66.5 | Low | 128 Ų | 128 | 124.6 Ų | 124.6 | 56% | 0.557 | 63% | 0.625 | S | S | * | * | trans | -59 | 131.4 | 171.5 | -70.6 | -177.2 | 179.4 | -175.1 | 0 | 106.3 | K819 F823 M825 V826 | K819-K821 PolarHBondContact O-N 3.19Å; K821-F823 PolarHBondContact O-N 3.25Å; K821-M825 HydrophobicContact CB-CB 4.39Å; K821-M825 HydrophobicContact CB-CE 4.47Å; K821-M825 HydrophobicContact CG-CE 4.4Å; K821-V826 HydrophobicContact CB-CG2 3.71Å | ||
| 822 | A | 67.5 | Low | 66.9 | Low | 61 Ų | 61 | 126 Ų | 126 | 50% | 0.504 | 61% | 0.611 | S | S | . | * | trans | -45.5 | 137.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | R820 S824 M825 V826 | R820-A822 PolarHBondContact O-N 3.15Å; A822-S824 PolarHBondContact O-N 3.45Å; A822-M825 PolarHBondContact O-N 2.99Å; A822-V826 PolarHBondContact O-N 3.38Å | ||
| 823 | F | 71.8 | Confident | 67.2 | Low | 168 Ų | 168 | 127.3 Ų | 127.3 | 74% | 0.737 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -50.9 | -34.2 | -171.9 | 179.1 | -102.3 | 0 | 0 | 0 | 112.6 | K821 M825 V826 K827 | K821-F823 PolarHBondContact O-N 3.25Å; F823-M825 VanDerWaalsContact C-N 3.35Å; F823-M825 PolarHBondContact O-N 3.13Å; F823-V826 PolarHBondContact O-N 3.05Å; F823-V826 VanDerWaalsContact O-N 3.11Å; F823-K827 WeakPolarHBondContact O-CB 3.18Å; F823-K827 PolarHBondContact O-N 3.43Å |
| 824 | S | 75.2 | Confident | 67.4 | Low | 81 Ų | 81 | 132.6 Ų | 132.6 | 57% | 0.566 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -53.7 | -43.4 | 172.9 | 51.7 | 0 | 0 | 0 | 0 | 113.6 | A822 | A822-S824 PolarHBondContact O-N 3.45Å |
| 825 | M | 68 | Low | 67.7 | Low | 125 Ų | 125 | 131.1 Ų | 131.1 | 62% | 0.616 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.9 | -22.2 | 177.8 | -86.1 | -142.3 | -74.1 | 0 | 0 | 114 | K821 A822 F823 | K821-M825 HydrophobicContact CB-CB 4.39Å; K821-M825 HydrophobicContact CB-CE 4.47Å; K821-M825 HydrophobicContact CG-CE 4.4Å; A822-M825 PolarHBondContact O-N 2.99Å; F823-M825 VanDerWaalsContact C-N 3.35Å; F823-M825 PolarHBondContact O-N 3.13Å |
| 826 | V | 71.7 | Confident | 68.3 | Low | 65 Ų | 65 | 125.9 Ų | 125.9 | 39% | 0.394 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -89.3 | -31.1 | 178.8 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | K821 A822 F823 H828 K829 A830 | K821-V826 HydrophobicContact CB-CG2 3.71Å; A822-V826 PolarHBondContact O-N 3.38Å; F823-V826 PolarHBondContact O-N 3.05Å; F823-V826 VanDerWaalsContact O-N 3.11Å; V826-H828 PolarHBondContact O-N 3.01Å; V826-K829 PolarHBondContact O-N 3.27Å; V826-K829 VanDerWaalsContact O-N 3.11Å; V826-A830 WeakPolarHBondContact O-CB 3.24Å; V826-A830 PolarHBondContact O-N 2.99Å |
| 827 | K | 78.2 | Confident | 68.9 | Low | 133 Ų | 133 | 124.9 Ų | 124.9 | 58% | 0.578 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -49.8 | -50.7 | -177.6 | -173.3 | 179.9 | 178.4 | -176.4 | 0 | 112.4 | F823 A830 A831 | F823-K827 WeakPolarHBondContact O-CB 3.18Å; F823-K827 PolarHBondContact O-N 3.43Å; K827-A830 PolarHBondContact O-N 3.06Å; K827-A831 WeakPolarHBondContact O-CB 3.36Å; K827-A831 PolarHBondContact O-N 3.49Å |
| 828 | H | 73.5 | Confident | 70 | Confident | 149 Ų | 149 | 122 Ų | 122 | 69% | 0.69 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.7 | -38.1 | -179.1 | -68.3 | -82.3 | 0 | 0 | 0 | 113.2 | V826 K832 | V826-H828 PolarHBondContact O-N 3.01Å; H828-K832 WeakPolarHBondContact O-CB 3.36Å; H828-K832 PolarHBondContact O-N 3.21Å |
| 829 | K | 72.1 | Confident | 71.1 | Confident | 152 Ų | 152 | 126.8 Ų | 126.8 | 66% | 0.661 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.3 | -38.4 | 176.4 | -87.2 | -174.9 | 174.7 | -178.7 | 0 | 112.7 | V826 K833 | V826-K829 PolarHBondContact O-N 3.27Å; V826-K829 VanDerWaalsContact O-N 3.11Å; K829-K833 PolarHBondContact O-N 3.1Å |
| 830 | A | 70.1 | Confident | 72.5 | Confident | 49 Ų | 49 | 126.1 Ų | 126.1 | 41% | 0.405 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.5 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V826 K827 K833 R834 | V826-A830 WeakPolarHBondContact O-CB 3.24Å; V826-A830 PolarHBondContact O-N 2.99Å; K827-A830 PolarHBondContact O-N 3.06Å; A830-K833 PolarHBondContact O-N 3.34Å; A830-R834 PolarHBondContact O-N 3Å |
| 831 | A | 73.7 | Confident | 73.7 | Confident | 49 Ų | 49 | 119.2 Ų | 119.2 | 41% | 0.405 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.6 | -45.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K827 K833 R834 K835 | K827-A831 WeakPolarHBondContact O-CB 3.36Å; K827-A831 PolarHBondContact O-N 3.49Å; A831-K833 VanDerWaalsContact C-N 3.31Å; A831-K833 PolarHBondContact O-N 2.85Å; A831-R834 PolarHBondContact O-N 3.13Å; A831-R834 VanDerWaalsContact O-N 3.14Å; A831-K835 PolarHBondContact O-N 3.35Å; A831-K835 VanDerWaalsContact O-N 3.08Å |
| 832 | K | 71.3 | Confident | 74.8 | Confident | 102 Ų | 102 | 117.8 Ų | 117.8 | 44% | 0.443 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.5 | -36.8 | 176.8 | -152 | 168.1 | -172.7 | 171.3 | 0 | 111.5 | E685 H828 N836 | E685-K832 IonicContact OE2-NZ 3.78Å; E685-K832 PolarHBondContact OE2-NZ 3.33Å; H828-K832 WeakPolarHBondContact O-CB 3.36Å; H828-K832 PolarHBondContact O-N 3.21Å; K832-N836 PolarHBondContact O-N 3.27Å; K832-N836 VanDerWaalsContact O-N 3.15Å |
| 833 | K | 70.8 | Confident | 75.8 | Confident | 170 Ų | 170 | 120.8 Ų | 120.8 | 74% | 0.739 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.4 | -32.1 | 173.2 | -109.9 | -173.8 | 177.6 | -174.8 | 0 | 114.1 | K829 A830 A831 | K829-K833 PolarHBondContact O-N 3.1Å; A830-K833 PolarHBondContact O-N 3.34Å; A831-K833 VanDerWaalsContact C-N 3.31Å; A831-K833 PolarHBondContact O-N 2.85Å |
| 834 | R | 68.6 | Low | 76.7 | Confident | 188 Ų | 188 | 118.4 Ų | 118.4 | 71% | 0.709 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71.5 | -40 | 174.6 | -84.5 | -175.6 | 163.2 | -173.9 | -4.6 | 111.8 | A830 A831 | A830-R834 PolarHBondContact O-N 3Å; A831-R834 PolarHBondContact O-N 3.13Å; A831-R834 VanDerWaalsContact O-N 3.14Å |
| 835 | K | 70.6 | Confident | 77.2 | Confident | 151 Ų | 151 | 116.4 Ų | 116.4 | 66% | 0.657 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.3 | -37.3 | 178.1 | -73.3 | -172.9 | 176.4 | -175.1 | 0 | 113.1 | A831 R837 | A831-K835 PolarHBondContact O-N 3.35Å; A831-K835 VanDerWaalsContact O-N 3.08Å; K835-R837 PolarHBondContact O-N 3.46Å |
| 836 | N | 74.9 | Confident | 78.2 | Confident | 121 Ų | 121 | 115.6 Ų | 115.6 | 65% | 0.647 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 28 | -176.6 | -66.9 | 4.4 | 0 | 0 | 0 | 114.4 | K832 | K832-N836 PolarHBondContact O-N 3.27Å; K832-N836 VanDerWaalsContact O-N 3.15Å |
| 837 | R | 75.1 | Confident | 79.1 | Confident | 104 Ų | 104 | 121.4 Ų | 121.4 | 39% | 0.392 | 56% | 0.562 | S | S | . | * | trans | -70.7 | 131.1 | 172.1 | -73.4 | -179.1 | 178.1 | 178.3 | -3.4 | 109.5 | K835 Q841 Q842 | K835-R837 PolarHBondContact O-N 3.46Å; R837-Q841 HydrophobicContact CB-CB 4.14Å; R837-Q842 HydrophobicContact CB-CG 3.93Å | ||
| 838 | S | 82.1 | Confident | 79.8 | Confident | 59 Ų | 59 | 116.1 Ų | 116.1 | 41% | 0.413 | 55% | 0.546 | S | S | . | . | trans | -61.9 | 155.4 | 171.8 | 69.6 | 0 | 0 | 0 | 0 | 110.6 | R840 Q841 Q842 | S838-R840 PolarHBondContact O-N 3.38Å; S838-Q841 WeakPolarHBondContact O-CA 3.48Å; S838-Q841 WeakPolarHBondContact O-CB 3.48Å; S838-Q841 PolarHBondContact O-N 2.91Å; S838-Q841 WeakPolarHBondContact OG-CG 3.49Å; S838-Q841 PolarHBondContact OG-N 3.33Å; S838-Q842 PolarHBondContact O-N 3.3Å | ||
| 839 | F | 81.6 | Confident | 80.5 | Confident | 167 Ų | 167 | 115.1 Ų | 115.1 | 73% | 0.732 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -51.8 | -42.1 | 179 | -174.7 | -101.1 | 0 | 0 | 0 | 112.3 | Q841 Q842 Q843 | F839-Q841 PolarHBondContact O-N 2.65Å; F839-Q842 WeakPolarHBondContact O-CB 3.3Å; F839-Q842 PolarHBondContact O-N 3.23Å; F839-Q843 PolarHBondContact O-N 3.21Å |
| 840 | R | 85.3 | Confident | 81.4 | Confident | 180 Ų | 180 | 112.4 Ų | 112.4 | 68% | 0.679 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.6 | -39.1 | 174.3 | -170.6 | 176.1 | 179.9 | 173.8 | 1.2 | 113.2 | S838 Q844 | S838-R840 PolarHBondContact O-N 3.38Å; R840-Q844 WeakPolarHBondContact O-CG 3.41Å; R840-Q844 PolarHBondContact O-N 3.35Å |
| 841 | Q | 85.6 | Confident | 82.4 | Confident | 102 Ų | 102 | 114.3 Ų | 114.3 | 48% | 0.477 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.5 | -34.2 | 175.9 | -73 | 175.2 | 2.1 | 0 | 0 | 112.3 | R837 S838 F839 A845 | R837-Q841 HydrophobicContact CB-CB 4.14Å; S838-Q841 WeakPolarHBondContact O-CA 3.48Å; S838-Q841 WeakPolarHBondContact O-CB 3.48Å; S838-Q841 PolarHBondContact O-N 2.91Å; S838-Q841 WeakPolarHBondContact OG-CG 3.49Å; S838-Q841 PolarHBondContact OG-N 3.33Å; F839-Q841 PolarHBondContact O-N 2.65Å; Q841-A845 VanDerWaalsContact O-CB 3.28Å; Q841-A845 WeakPolarHBondContact O-CB 3.5Å; Q841-A845 PolarHBondContact O-N 2.86Å |
| 842 | Q | 83.8 | Confident | 83.1 | Confident | 98 Ų | 98 | 120.2 Ų | 120.2 | 46% | 0.458 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 172.4 | -69.8 | -179.1 | -9.6 | 0 | 0 | 110.9 | R837 S838 F839 A845 L846 | R837-Q842 HydrophobicContact CB-CG 3.93Å; S838-Q842 PolarHBondContact O-N 3.3Å; F839-Q842 WeakPolarHBondContact O-CB 3.3Å; F839-Q842 PolarHBondContact O-N 3.23Å; Q842-A845 PolarHBondContact O-N 3.28Å; Q842-L846 WeakPolarHBondContact O-CB 3.23Å; Q842-L846 PolarHBondContact O-N 3.03Å |
| 843 | Q | 88.9 | Confident | 83.8 | Confident | 124 Ų | 124 | 120 Ų | 120 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.4 | -46.9 | 176.5 | -170.3 | -173 | 20.7 | 0 | 0 | 112.6 | F839 A845 L846 R847 | F839-Q843 PolarHBondContact O-N 3.21Å; Q843-A845 PolarHBondContact O-N 3.4Å; Q843-L846 PolarHBondContact O-N 3.4Å; Q843-R847 WeakPolarHBondContact O-CB 3.23Å; Q843-R847 PolarHBondContact O-N 3.2Å |
| 844 | Q | 89.3 | Confident | 84.6 | Confident | 118 Ų | 118 | 115.5 Ų | 115.5 | 55% | 0.551 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 176.4 | -76.1 | 178.6 | -16.9 | 0 | 0 | 112.5 | R840 R847 G848 | R840-Q844 WeakPolarHBondContact O-CG 3.41Å; R840-Q844 PolarHBondContact O-N 3.35Å; Q844-R847 PolarHBondContact O-N 3.35Å; Q844-G848 PolarHBondContact O-N 3.39Å |
| 845 | A | 86.8 | Confident | 85.4 | Confident | 39 Ų | 39 | 114.8 Ų | 114.8 | 32% | 0.322 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q841 Q842 Q843 Y849 | Q841-A845 VanDerWaalsContact O-CB 3.28Å; Q841-A845 WeakPolarHBondContact O-CB 3.5Å; Q841-A845 PolarHBondContact O-N 2.86Å; Q842-A845 PolarHBondContact O-N 3.28Å; Q843-A845 PolarHBondContact O-N 3.4Å; A845-Y849 WeakPolarHBondContact O-CB 3.44Å; A845-Y849 PolarHBondContact O-N 2.69Å |
| 846 | L | 89.1 | Confident | 85.9 | Confident | 108 Ų | 108 | 115.1 Ų | 115.1 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.7 | -46.7 | 175 | -170.4 | 73.9 | 0 | 0 | 0 | 111.1 | Q842 Q843 G848 Y849 L850 | Q842-L846 WeakPolarHBondContact O-CB 3.23Å; Q842-L846 PolarHBondContact O-N 3.03Å; Q843-L846 PolarHBondContact O-N 3.4Å; L846-G848 VanDerWaalsContact C-N 3.33Å; L846-G848 PolarHBondContact O-N 3.32Å; L846-Y849 WeakPolarHBondContact O-CB 3.18Å; L846-Y849 PolarHBondContact O-N 3.06Å; L846-L850 HydrophobicContact CG-CD1 4.37Å; L846-L850 WeakPolarHBondContact O-CG 3.42Å; L846-L850 PolarHBondContact O-N 3.26Å |
| 847 | R | 90.2 | Very high | 85.3 | Confident | 186 Ų | 186 | 122.2 Ų | 122.2 | 70% | 0.702 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -58.9 | -43.6 | 176.1 | -169.3 | 177.2 | -179.4 | 172.8 | 0.2 | 111.8 | Q843 Q844 Y849 L850 L851 | Q843-R847 WeakPolarHBondContact O-CB 3.23Å; Q843-R847 PolarHBondContact O-N 3.2Å; Q844-R847 PolarHBondContact O-N 3.35Å; R847-Y849 VanDerWaalsContact C-N 3.3Å; R847-Y849 PolarHBondContact O-N 3.25Å; R847-L850 PolarHBondContact O-N 3.29Å; R847-L851 HydrophobicContact CG-CD1 4.13Å; R847-L851 WeakPolarHBondContact O-CB 3.3Å; R847-L851 WeakPolarHBondContact O-CG 3.48Å; R847-L851 PolarHBondContact O-N 3.25Å |
| 848 | G | 91.7 | Very high | 85.8 | Confident | 23 Ų | 23 | 123.2 Ų | 123.2 | 24% | 0.237 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -72.1 | -18.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q844 L846 R852 | Q844-G848 PolarHBondContact O-N 3.39Å; L846-G848 VanDerWaalsContact C-N 3.33Å; L846-G848 PolarHBondContact O-N 3.32Å; G848-R852 WeakPolarHBondContact O-CG 3.42Å; G848-R852 PolarHBondContact O-N 3.3Å; G848-R852 PolarHBondContact O-NE 3.5Å |
| 849 | Y | 88.7 | Confident | 86 | Confident | 128 Ų | 128 | 126.5 Ų | 126.5 | 50% | 0.502 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -79.3 | -47.5 | 169.9 | 172.2 | -96.8 | 0 | 0 | 0 | 110.6 | A845 L846 R847 L851 R852 Q853 | A845-Y849 WeakPolarHBondContact O-CB 3.44Å; A845-Y849 PolarHBondContact O-N 2.69Å; L846-Y849 WeakPolarHBondContact O-CB 3.18Å; L846-Y849 PolarHBondContact O-N 3.06Å; R847-Y849 VanDerWaalsContact C-N 3.3Å; R847-Y849 PolarHBondContact O-N 3.25Å; Y849-L851 PolarHBondContact O-N 3.23Å; Y849-R852 WeakPolarHBondContact O-CA 3.41Å; Y849-R852 WeakPolarHBondContact O-CB 3.4Å; Y849-R852 PolarHBondContact O-N 3.24Å; Y849-Q853 HydrophobicContact CE1-CG 4.3Å; Y849-Q853 PolarHBondContact O-N 3.19Å; Y849-Q853 PolarHBondContact OH-NE2 3.41Å |
| 850 | L | 91.4 | Very high | 86.2 | Confident | 94 Ų | 94 | 124.3 Ų | 124.3 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.8 | -42.7 | 176.1 | -68.1 | 173.4 | 0 | 0 | 0 | 111.7 | L846 R847 R852 Q853 S854 | L846-L850 HydrophobicContact CG-CD1 4.37Å; L846-L850 WeakPolarHBondContact O-CG 3.42Å; L846-L850 PolarHBondContact O-N 3.26Å; R847-L850 PolarHBondContact O-N 3.29Å; L850-R852 PolarHBondContact O-N 2.95Å; L850-Q853 PolarHBondContact O-N 2.76Å; L850-S854 WeakPolarHBondContact O-CB 3.27Å; L850-S854 PolarHBondContact O-N 3.25Å; L850-S854 PolarHBondContact O-OG 3.34Å |
| 851 | L | 90.4 | Very high | 86.3 | Confident | 90 Ų | 90 | 121 Ų | 121 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.9 | -24.9 | 173 | -81.9 | 162.6 | 0 | 0 | 0 | 113.8 | R847 Y849 S854 K855 | R847-L851 HydrophobicContact CG-CD1 4.13Å; R847-L851 WeakPolarHBondContact O-CB 3.3Å; R847-L851 WeakPolarHBondContact O-CG 3.48Å; R847-L851 PolarHBondContact O-N 3.25Å; Y849-L851 PolarHBondContact O-N 3.23Å; L851-S854 WeakPolarHBondContact CA-OG 3.45Å; L851-S854 PolarHBondContact O-OG 3.12Å; L851-K855 VanDerWaalsContact O-CG 3.25Å; L851-K855 WeakPolarHBondContact O-CG 3.41Å; L851-K855 PolarHBondContact O-N 2.74Å |
| 852 | R | 89.2 | Confident | 86.3 | Confident | 173 Ų | 173 | 122.2 Ų | 122.2 | 65% | 0.653 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -81.6 | -41.3 | 174.3 | -88.5 | -176 | -86.9 | -157.5 | -5.6 | 111.1 | G848 Y849 L850 S854 K855 L856 | G848-R852 WeakPolarHBondContact O-CG 3.42Å; G848-R852 PolarHBondContact O-N 3.3Å; G848-R852 PolarHBondContact O-NE 3.5Å; Y849-R852 WeakPolarHBondContact O-CA 3.41Å; Y849-R852 WeakPolarHBondContact O-CB 3.4Å; Y849-R852 PolarHBondContact O-N 3.24Å; L850-R852 PolarHBondContact O-N 2.95Å; R852-S854 VanDerWaalsContact C-N 3.29Å; R852-S854 PolarHBondContact O-N 3.24Å; R852-K855 PolarHBondContact O-N 3.12Å; R852-K855 VanDerWaalsContact O-N 3.17Å; R852-L856 PolarHBondContact O-N 3Å; R852-L856 VanDerWaalsContact O-N 3.09Å |
| 853 | Q | 86.6 | Confident | 86.5 | Confident | 98 Ų | 98 | 123.8 Ų | 123.8 | 46% | 0.458 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.8 | -38 | 171.9 | -93.7 | -158.7 | -24 | 0 | 0 | 112 | Y849 L850 K855 L856 R857 | Y849-Q853 HydrophobicContact CE1-CG 4.3Å; Y849-Q853 PolarHBondContact O-N 3.19Å; Y849-Q853 PolarHBondContact OH-NE2 3.41Å; L850-Q853 PolarHBondContact O-N 2.76Å; Q853-K855 PolarHBondContact O-N 3.31Å; Q853-L856 PolarHBondContact O-N 2.76Å; Q853-R857 PolarHBondContact O-N 2.7Å |
| 854 | S | 86.6 | Confident | 86.3 | Confident | 74 Ų | 74 | 123.8 Ų | 123.8 | 52% | 0.517 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -75.5 | -6.8 | 176.6 | 80.5 | 0 | 0 | 0 | 0 | 114.4 | L850 L851 R852 R857 | L850-S854 WeakPolarHBondContact O-CB 3.27Å; L850-S854 PolarHBondContact O-N 3.25Å; L850-S854 PolarHBondContact O-OG 3.34Å; L851-S854 WeakPolarHBondContact CA-OG 3.45Å; L851-S854 PolarHBondContact O-OG 3.12Å; R852-S854 VanDerWaalsContact C-N 3.29Å; R852-S854 PolarHBondContact O-N 3.24Å; S854-R857 VanDerWaalsContact O-OXT 3.12Å |
| 855 | K | 85.9 | Confident | 86.1 | Confident | 173 Ų | 173 | 124.2 Ų | 124.2 | 75% | 0.752 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -102.8 | -13.7 | 171.8 | -76.9 | -178.3 | 179 | -163.6 | 0 | 112.4 | L851 R852 Q853 | L851-K855 VanDerWaalsContact O-CG 3.25Å; L851-K855 WeakPolarHBondContact O-CG 3.41Å; L851-K855 PolarHBondContact O-N 2.74Å; R852-K855 PolarHBondContact O-N 3.12Å; R852-K855 VanDerWaalsContact O-N 3.17Å; Q853-K855 PolarHBondContact O-N 3.31Å |
| 856 | L | 80 | Confident | 86 | Confident | 159 Ų | 159 | 131.3 Ų | 131.3 | 83% | 0.832 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -94.8 | -26.9 | 176.4 | -91.8 | 151.9 | 0 | 0 | 0 | 111.6 | R852 Q853 | R852-L856 PolarHBondContact O-N 3Å; R852-L856 VanDerWaalsContact O-N 3.09Å; Q853-L856 PolarHBondContact O-N 2.76Å |
| 857 | R | 62.8 | Low | 85.8 | Confident | 270 Ų | 270 | 133.5 Ų | 133.5 | 100% | 1.019 | 60% | 0.603 | S | S | * | * | trans | -84.6 | 0 | 153.9 | -72.8 | -176.1 | 173.3 | -170.6 | -3.2 | 108.6 | Q853 S854 | Q853-R857 PolarHBondContact O-N 2.7Å; S854-R857 VanDerWaalsContact O-OXT 3.12Å |
Retrieved 857 of 857 residues in 914.4 ms
(Link to these results)