| 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 | 69.8 | Low | 88.9 | Confident | 145 Ų | 145 | 38.1 Ų | 38.1 | 71% | 0.714 | 18% | 0.179 | S | C | * | . | 0 | 125.3 | 0 | -177.7 | -177.6 | -70.4 | 0 | 0 | 106.6 | R5 Q6 C134 | M1-R5 HydrophobicContact CG-CB 3.7Å; M1-R5 HydrophobicContact SD-CB 4.18Å; M1-Q6 HydrophobicContact CB-CG 4.24Å; M1-Q6 HydrophobicContact CG-CG 4.01Å; M1-Q6 PolarHBondContact O-NE2 3.41Å; M1-Q6 HydrophobicContact SD-CG 3.79Å; M1-C134 PolarHBondContact O-SG 2.79Å | |||
| 2 | E | 83.5 | Confident | 89.1 | Confident | 90 Ų | 90 | 37.1 Ų | 37.1 | 42% | 0.421 | 18% | 0.175 | S | C | . | . | trans | -55.1 | 149.4 | -178.4 | -65.1 | 169.8 | 165.1 | 0 | 0 | 111.5 | W4 R5 Q6 | E2-W4 VanDerWaalsContact C-N 3.28Å; E2-W4 PolarHBondContact O-N 3.35Å; E2-W4 PolarHBondContact OE2-NE1 3.3Å; E2-R5 PolarHBondContact O-N 2.63Å; E2-R5 VanDerWaalsContact O-N 3.09Å; E2-R5 IonicContact OE2-NE 3.91Å; E2-Q6 PolarHBondContact O-N 3.25Å | ||
| 3 | L | 87.7 | Confident | 89.3 | Confident | 24 Ų | 24 | 41.5 Ų | 41.5 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.5 | -41.6 | -174.7 | -177.1 | 66.8 | 0 | 0 | 0 | 112.2 | R5 Q6 C7 M109 F129 P130 | L3-R5 VanDerWaalsContact C-N 3.34Å; L3-R5 PolarHBondContact O-N 3.5Å; L3-Q6 PolarHBondContact O-N 3.47Å; L3-C7 PolarHBondContact O-N 3.43Å; L3-M109 HydrophobicContact CD2-CB 4.06Å; L3-F129 HydrophobicContact CD1-CD2 3.93Å; L3-F129 HydrophobicContact CD1-CE2 4.23Å; L3-P130 HydrophobicContact CD1-CB 3.69Å; L3-P130 HydrophobicContact CD1-CG 4.08Å |
| 4 | W | 90.4 | Very high | 89.4 | Confident | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.011 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.4 | -33.5 | 179.6 | 76.3 | -91.8 | 0 | 0 | 0 | 113.2 | E2 C7 A8 A28 V30 L33 M109 | E2-W4 VanDerWaalsContact C-N 3.28Å; E2-W4 PolarHBondContact O-N 3.35Å; E2-W4 PolarHBondContact OE2-NE1 3.3Å; W4-C7 WeakPolarHBondContact O-CB 3.32Å; W4-C7 PolarHBondContact O-N 2.76Å; W4-A8 PolarHBondContact O-N 2.82Å; W4-A28 HydrophobicContact CH2-CB 3.94Å; W4-A28 WeakPolarHBondContact CH2-O 3.35Å; W4-V30 HydrophobicContact CB-CB 4.49Å; W4-V30 HydrophobicContact CB-CG2 3.86Å; W4-V30 HydrophobicContact CD2-CB 3.96Å; W4-V30 HydrophobicContact CD2-CG2 4.24Å; W4-V30 HydrophobicContact CG-CB 3.87Å; W4-V30 HydrophobicContact CG-CG2 3.77Å; W4-L33 HydrophobicContact CB-CD2 4Å; W4-L33 HydrophobicContact CE3-CB 4.01Å; W4-L33 HydrophobicContact CE3-CD2 4.1Å; W4-L33 HydrophobicContact CZ3-CB 4.42Å; W4-L33 WeakPolarHBondContact O-CD2 3.43Å; W4-M109 HydrophobicContact CB-CE 4.1Å; W4-M109 HydrophobicContact CB-SD 4.39Å |
| 5 | R | 90.5 | Very high | 89.4 | Confident | 64 Ų | 64 | 50.5 Ų | 50.5 | 24% | 0.242 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.3 | -37.9 | 174.4 | -69.4 | -171.4 | 176.9 | -105.2 | 5.6 | 111.6 | M1 E2 L3 C7 A8 M9 W25 E26 A28 | M1-R5 HydrophobicContact CG-CB 3.7Å; M1-R5 HydrophobicContact SD-CB 4.18Å; E2-R5 PolarHBondContact O-N 2.63Å; E2-R5 VanDerWaalsContact O-N 3.09Å; E2-R5 IonicContact OE2-NE 3.91Å; L3-R5 VanDerWaalsContact C-N 3.34Å; L3-R5 PolarHBondContact O-N 3.5Å; R5-C7 VanDerWaalsContact C-N 3.34Å; R5-A8 PolarHBondContact O-N 3.1Å; R5-M9 WeakPolarHBondContact O-CG 3.4Å; R5-M9 PolarHBondContact O-N 3.48Å; R5-W25 PolarHBondContact NH1-O 3.27Å; R5-E26 PolarHBondContact NH2-O 3.47Å; R5-A28 PolarHBondContact NH2-O 2.89Å |
| 6 | Q | 91.6 | Very high | 89.3 | Confident | 15 Ų | 15 | 47.4 Ų | 47.4 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -40.6 | 173.6 | -66.8 | -179.5 | 53.9 | 0 | 0 | 111.7 | M1 E2 L3 M9 W10 F129 C134 | M1-Q6 HydrophobicContact CB-CG 4.24Å; M1-Q6 HydrophobicContact CG-CG 4.01Å; M1-Q6 PolarHBondContact O-NE2 3.41Å; M1-Q6 HydrophobicContact SD-CG 3.79Å; E2-Q6 PolarHBondContact O-N 3.25Å; L3-Q6 PolarHBondContact O-N 3.47Å; Q6-M9 PolarHBondContact O-N 2.82Å; Q6-W10 PolarHBondContact O-N 3.23Å; Q6-F129 HydrophobicContact CB-CB 4.03Å; Q6-F129 HydrophobicContact CB-CD2 4.37Å; Q6-F129 HydrophobicContact CB-CG 4.44Å; Q6-C134 PolarHBondContact NE2-SG 3.39Å |
| 7 | C | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 173.2 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | L3 W4 R5 M9 W10 L11 L33 M109 F129 | L3-C7 PolarHBondContact O-N 3.43Å; W4-C7 WeakPolarHBondContact O-CB 3.32Å; W4-C7 PolarHBondContact O-N 2.76Å; R5-C7 VanDerWaalsContact C-N 3.34Å; C7-M9 VanDerWaalsContact C-N 3.31Å; C7-M9 PolarHBondContact O-N 2.77Å; C7-W10 PolarHBondContact O-N 2.97Å; C7-L11 VanDerWaalsContact O-CG 3.3Å; C7-L11 WeakPolarHBondContact O-CG 3.32Å; C7-L11 PolarHBondContact O-N 2.77Å; C7-L33 HydrophobicContact CB-CD2 4.46Å; C7-M109 HydrophobicContact CB-CE 3.17Å; C7-F129 HydrophobicContact CB-CD2 4.28Å; C7-F129 HydrophobicContact CB-CE1 4.21Å; C7-F129 HydrophobicContact CB-CE2 3.64Å; C7-F129 HydrophobicContact CB-CZ 3.59Å; C7-F129 VanDerWaalsContact SG-CZ 3.59Å |
| 8 | A | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W4 R5 L11 I12 V23 L33 | W4-A8 PolarHBondContact O-N 2.82Å; R5-A8 PolarHBondContact O-N 3.1Å; A8-L11 PolarHBondContact O-N 3.11Å; A8-I12 WeakPolarHBondContact O-CG1 3.45Å; A8-I12 PolarHBondContact O-N 2.8Å; A8-I12 VanDerWaalsContact O-N 3.11Å; A8-V23 HydrophobicContact CB-CG2 4.34Å; A8-L33 HydrophobicContact CB-CD1 4.33Å |
| 9 | M | 91.6 | Very high | 88.7 | Confident | 75 Ų | 75 | 50.5 Ų | 50.5 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 173.7 | -66.1 | -61.7 | 103 | 0 | 0 | 112 | R5 Q6 C7 L11 I12 E13 T24 | R5-M9 WeakPolarHBondContact O-CG 3.4Å; R5-M9 PolarHBondContact O-N 3.48Å; Q6-M9 PolarHBondContact O-N 2.82Å; C7-M9 VanDerWaalsContact C-N 3.31Å; C7-M9 PolarHBondContact O-N 2.77Å; M9-L11 VanDerWaalsContact C-N 3.33Å; M9-L11 PolarHBondContact O-N 3.27Å; M9-I12 HydrophobicContact CE-CD1 3.66Å; M9-I12 WeakPolarHBondContact O-CB 3.5Å; M9-I12 PolarHBondContact O-N 2.82Å; M9-I12 VanDerWaalsContact O-N 3.13Å; M9-E13 PolarHBondContact O-N 2.82Å; M9-T24 HydrophobicContact CE-CG2 3.69Å |
| 10 | W | 94.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 1% | 0.011 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 177.3 | -179.3 | 69.5 | 0 | 0 | 0 | 112.6 | Q6 C7 I12 E13 C14 L46 L50 L115 S116 F129 | Q6-W10 PolarHBondContact O-N 3.23Å; C7-W10 PolarHBondContact O-N 2.97Å; W10-I12 VanDerWaalsContact C-N 3.3Å; W10-I12 PolarHBondContact O-N 2.76Å; W10-E13 PolarHBondContact O-N 3.14Å; W10-C14 WeakPolarHBondContact O-CB 3.46Å; W10-C14 PolarHBondContact O-N 3.08Å; W10-C14 PolarHBondContact O-SG 2.8Å; W10-L46 HydrophobicContact CH2-CD1 3.83Å; W10-L46 HydrophobicContact CH2-CD2 3.93Å; W10-L46 HydrophobicContact CH2-CG 4.35Å; W10-L46 HydrophobicContact CZ2-CD1 4.47Å; W10-L46 HydrophobicContact CZ3-CD1 3.96Å; W10-L46 HydrophobicContact CZ3-CD2 3.7Å; W10-L46 HydrophobicContact CZ3-CG 4.44Å; W10-L50 HydrophobicContact CH2-CD1 4.15Å; W10-L50 HydrophobicContact CZ2-CD1 4.28Å; W10-L50 HydrophobicContact CZ2-CD2 4.44Å; W10-L115 HydrophobicContact CH2-CD2 4.34Å; W10-L115 HydrophobicContact CH2-CG 4.29Å; W10-S116 VanDerWaalsContact CE2-CB 3.45Å; W10-S116 VanDerWaalsContact CZ2-CA 3.46Å; W10-F129 HydrophobicContact CB-CD1 3.81Å; W10-F129 HydrophobicContact CB-CE1 4.21Å; W10-F129 HydrophobicContact CD2-CD1 4Å; W10-F129 AromaticContact CD2-CE1 3.84Å; W10-F129 HydrophobicContact CD2-CE1 3.84Å; W10-F129 HydrophobicContact CE3-CD1 4.22Å; W10-F129 AromaticContact CE3-CE1 3.59Å; W10-F129 HydrophobicContact CE3-CE1 3.59Å; W10-F129 AromaticContact CG-CD1 3.81Å; W10-F129 HydrophobicContact CG-CD1 3.81Å; W10-F129 HydrophobicContact CG-CE1 4.11Å; W10-F129 HydrophobicContact CZ3-CE1 4.24Å |
| 11 | L | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.1 | -34.6 | 174.5 | -70.6 | 171.3 | 0 | 0 | 0 | 112.1 | C7 A8 M9 C14 R15 V16 L17 L33 L37 L46 | C7-L11 VanDerWaalsContact O-CG 3.3Å; C7-L11 WeakPolarHBondContact O-CG 3.32Å; C7-L11 PolarHBondContact O-N 2.77Å; A8-L11 PolarHBondContact O-N 3.11Å; M9-L11 VanDerWaalsContact C-N 3.33Å; M9-L11 PolarHBondContact O-N 3.27Å; L11-C14 CarbonylContact O-C 3.54Å; L11-C14 PolarHBondContact O-N 3.01Å; L11-R15 PolarHBondContact O-N 3.44Å; L11-V16 HydrophobicContact CB-CB 4.38Å; L11-V16 HydrophobicContact CD2-CB 4.36Å; L11-V16 HydrophobicContact CD2-CG1 4.31Å; L11-V16 WeakPolarHBondContact O-CB 3.13Å; L11-V16 PolarHBondContact O-N 2.95Å; L11-L17 HydrophobicContact CB-CD1 3.86Å; L11-L17 HydrophobicContact CB-CG 4.35Å; L11-L17 HydrophobicContact CD1-CD1 3.85Å; L11-L17 PolarHBondContact O-N 3.47Å; L11-L33 HydrophobicContact CD1-CD1 3.95Å; L11-L37 HydrophobicContact CD1-CD1 4.27Å; L11-L37 HydrophobicContact CD1-CD2 4.02Å; L11-L46 HydrophobicContact CD2-CD1 4.16Å; L11-L46 HydrophobicContact CD2-CD2 3.89Å; L11-L46 HydrophobicContact CD2-CG 4.48Å |
| 12 | I | 91.3 | Very high | 89 | Confident | 26 Ų | 26 | 47.5 Ų | 47.5 | 13% | 0.133 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.6 | -44.7 | 173.7 | -66.3 | 162.7 | 0 | 0 | 0 | 110.7 | A8 M9 W10 C14 R15 L17 E19 T24 | A8-I12 WeakPolarHBondContact O-CG1 3.45Å; A8-I12 PolarHBondContact O-N 2.8Å; A8-I12 VanDerWaalsContact O-N 3.11Å; M9-I12 HydrophobicContact CE-CD1 3.66Å; M9-I12 WeakPolarHBondContact O-CB 3.5Å; M9-I12 PolarHBondContact O-N 2.82Å; M9-I12 VanDerWaalsContact O-N 3.13Å; W10-I12 VanDerWaalsContact C-N 3.3Å; W10-I12 PolarHBondContact O-N 2.76Å; I12-C14 PolarHBondContact O-N 3.17Å; I12-R15 WeakPolarHBondContact O-CA 3.41Å; I12-R15 PolarHBondContact O-N 3.42Å; I12-L17 HydrophobicContact CG1-CB 3.79Å; I12-E19 HydrophobicContact CG2-CB 4.49Å; I12-E19 HydrophobicContact CG2-CG 3.77Å; I12-T24 HydrophobicContact CD1-CG2 3.26Å |
| 13 | E | 91.3 | Very high | 89.2 | Confident | 94 Ų | 94 | 43.3 Ų | 43.3 | 44% | 0.439 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.9 | -36.3 | 173.7 | -71 | -176.6 | -176.3 | 0 | 0 | 111.8 | M9 W10 R15 L126 | M9-E13 PolarHBondContact O-N 2.82Å; W10-E13 PolarHBondContact O-N 3.14Å; E13-R15 PolarHBondContact O-N 3.48Å; E13-L126 HydrophobicContact CB-CD2 4.07Å |
| 14 | C | 90.9 | Very high | 89 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -0 | 173.6 | -65.2 | 0 | 0 | 0 | 0 | 113.8 | W10 L11 I12 V16 L46 N49 | W10-C14 WeakPolarHBondContact O-CB 3.46Å; W10-C14 PolarHBondContact O-N 3.08Å; W10-C14 PolarHBondContact O-SG 2.8Å; L11-C14 CarbonylContact O-C 3.54Å; L11-C14 PolarHBondContact O-N 3.01Å; I12-C14 PolarHBondContact O-N 3.17Å; C14-V16 VanDerWaalsContact C-N 3.29Å; C14-V16 HydrophobicContact CB-CG2 3.88Å; C14-V16 PolarHBondContact O-N 3.45Å; C14-L46 HydrophobicContact CB-CD1 3.65Å; C14-N49 WeakPolarHBondContact O-CB 3.48Å; C14-N49 PolarHBondContact O-ND2 3.26Å |
| 15 | R | 88.9 | Confident | 88.9 | Confident | 212 Ų | 212 | 51.6 Ų | 51.6 | 80% | 0.8 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 36.5 | -174.9 | -52.7 | -178 | -178.3 | -178.9 | -1.2 | 113.8 | L11 I12 E13 N49 | L11-R15 PolarHBondContact O-N 3.44Å; I12-R15 WeakPolarHBondContact O-CA 3.41Å; I12-R15 PolarHBondContact O-N 3.42Å; E13-R15 PolarHBondContact O-N 3.48Å; R15-N49 PolarHBondContact O-ND2 3.2Å |
| 16 | V | 88.7 | Confident | 88.6 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -99.3 | -32.6 | 178.2 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | L11 C14 L42 L46 F161 | L11-V16 HydrophobicContact CB-CB 4.38Å; L11-V16 HydrophobicContact CD2-CB 4.36Å; L11-V16 HydrophobicContact CD2-CG1 4.31Å; L11-V16 WeakPolarHBondContact O-CB 3.13Å; L11-V16 PolarHBondContact O-N 2.95Å; C14-V16 VanDerWaalsContact C-N 3.29Å; C14-V16 HydrophobicContact CB-CG2 3.88Å; C14-V16 PolarHBondContact O-N 3.45Å; V16-L42 HydrophobicContact CG1-CB 3.72Å; V16-L42 HydrophobicContact CG1-CD2 4.32Å; V16-L42 HydrophobicContact CG1-CG 4.41Å; V16-L42 VanDerWaalsContact CG1-O 3.31Å; V16-L42 WeakPolarHBondContact CG1-O 3.47Å; V16-L46 HydrophobicContact CG2-CB 3.75Å; V16-L46 HydrophobicContact CG2-CD1 3.81Å; V16-L46 HydrophobicContact CG2-CG 4.4Å; V16-F161 VanDerWaalsContact O-CE2 3.28Å; V16-F161 WeakPolarHBondContact O-CE2 3.42Å |
| 17 | L | 88.3 | Confident | 88.2 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -120.1 | 145.9 | 174.5 | -75.7 | 167.4 | 0 | 0 | 0 | 109.4 | L11 I12 V23 L33 A36 L42 L158 | L11-L17 HydrophobicContact CB-CD1 3.86Å; L11-L17 HydrophobicContact CB-CG 4.35Å; L11-L17 HydrophobicContact CD1-CD1 3.85Å; L11-L17 PolarHBondContact O-N 3.47Å; I12-L17 HydrophobicContact CG1-CB 3.79Å; L17-V23 HydrophobicContact CD1-CG2 4.09Å; L17-L33 HydrophobicContact CD1-CD1 4.29Å; L17-A36 HydrophobicContact CD2-CB 4.37Å; L17-L42 HydrophobicContact CD2-CD1 3.58Å; L17-L42 HydrophobicContact CG-CD1 4.27Å; L17-L158 HydrophobicContact CD2-CD1 3.98Å |
| 18 | P | 84 | Confident | 87.9 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 21% | 0.208 | 30% | 0.298 | C | S | . | . | trans | -77.5 | 149.9 | 178.6 | 30.5 | -30.3 | 0 | 0 | 0 | 109.9 | N20 H21 F161 | P18-N20 PolarHBondContact O-N 3.03Å; P18-N20 VanDerWaalsContact O-N 3.15Å; P18-H21 HydrophobicContact CG-CB 3.83Å; P18-H21 VanDerWaalsContact O-CB 3.25Å; P18-H21 WeakPolarHBondContact O-CB 3.31Å; P18-H21 PolarHBondContact O-N 2.82Å; P18-F161 HydrophobicContact CB-CD1 4.41Å; P18-F161 HydrophobicContact CB-CE1 4.15Å; P18-F161 HydrophobicContact CG-CD1 4.28Å; P18-F161 HydrophobicContact CG-CE1 3.55Å; P18-F161 HydrophobicContact CG-CZ 3.73Å | ||
| 19 | E | 84.3 | Confident | 87.7 | Confident | 163 Ų | 163 | 66 Ų | 66 | 76% | 0.762 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -31 | -175.1 | -65.5 | -178 | 177.9 | 0 | 0 | 112.9 | I12 T24 | I12-E19 HydrophobicContact CG2-CB 4.49Å; I12-E19 HydrophobicContact CG2-CG 3.77Å; E19-T24 PolarHBondContact O-OG1 3.43Å; E19-T24 VanDerWaalsContact O-OG1 3.11Å |
| 20 | N | 83.3 | Confident | 87.6 | Confident | 128 Ų | 128 | 63.1 Ų | 63.1 | 68% | 0.684 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 7.7 | -179.6 | 64.5 | -28.2 | 0 | 0 | 0 | 114.4 | P18 W25 | P18-N20 PolarHBondContact O-N 3.03Å; P18-N20 VanDerWaalsContact O-N 3.15Å; N20-W25 PolarHBondContact O-NE1 2.79Å |
| 21 | H | 84.9 | Confident | 87.3 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | trans | -60 | 147.8 | -179.5 | -167.3 | -104.9 | 0 | 0 | 0 | 112.6 | P18 V23 T24 D155 L158 | P18-H21 HydrophobicContact CG-CB 3.83Å; P18-H21 VanDerWaalsContact O-CB 3.25Å; P18-H21 WeakPolarHBondContact O-CB 3.31Å; P18-H21 PolarHBondContact O-N 2.82Å; H21-V23 HydrophobicContact CB-CG2 4.03Å; H21-V23 VanDerWaalsContact ND1-CG1 3.31Å; H21-V23 WeakPolarHBondContact ND1-CG1 3.41Å; H21-V23 WeakPolarHBondContact ND1-CG2 3.41Å; H21-V23 PolarHBondContact ND1-N 3.45Å; H21-V23 PolarHBondContact O-N 3.32Å; H21-T24 PolarHBondContact O-N 3.31Å; H21-T24 PolarHBondContact O-OG1 2.93Å; H21-D155 IonicContact NE2-OD2 3.03Å; H21-D155 PolarHBondContact NE2-OD2 2.91Å; H21-L158 VanDerWaalsContact NE2-CD1 3.32Å; H21-L158 WeakPolarHBondContact NE2-CD1 3.3Å | ||
| 22 | R | 84.9 | Confident | 87 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 16% | 0.162 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -53.1 | -29.3 | -178.8 | 59.7 | 173.2 | 159.8 | 164 | -11.1 | 115 | T24 W25 A28 D32 D155 | R22-T24 PolarHBondContact O-N 3.14Å; R22-T24 VanDerWaalsContact O-N 3.15Å; R22-W25 HydrophobicContact CB-CD2 4.16Å; R22-W25 HydrophobicContact CB-CE3 4.18Å; R22-W25 HydrophobicContact CB-CH2 4.32Å; R22-W25 HydrophobicContact CB-CZ2 4.28Å; R22-W25 HydrophobicContact CB-CZ3 4.27Å; R22-W25 WeakPolarHBondContact O-CB 3.27Å; R22-W25 PolarHBondContact O-N 3.07Å; R22-W25 VanDerWaalsContact O-N 3.09Å; R22-A28 WeakPolarHBondContact O-CB 3.42Å; R22-D32 IonicContact NH1-OD1 3.83Å; R22-D155 IonicContact CZ-OD2 3.63Å; R22-D155 IonicContact NE-OD2 3.75Å; R22-D155 PolarHBondContact NE-OD2 3.08Å; R22-D155 IonicContact NH2-OD2 3.63Å; R22-D155 PolarHBondContact NH2-OD2 3.26Å |
| 23 | V | 86.7 | Confident | 87 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -63.6 | -16.4 | 176.7 | -61.1 | 0 | 0 | 0 | 0 | 113.7 | A8 L17 H21 D32 L33 | A8-V23 HydrophobicContact CB-CG2 4.34Å; L17-V23 HydrophobicContact CD1-CG2 4.09Å; H21-V23 HydrophobicContact CB-CG2 4.03Å; H21-V23 VanDerWaalsContact ND1-CG1 3.31Å; H21-V23 WeakPolarHBondContact ND1-CG1 3.41Å; H21-V23 WeakPolarHBondContact ND1-CG2 3.41Å; H21-V23 PolarHBondContact ND1-N 3.45Å; H21-V23 PolarHBondContact O-N 3.32Å; V23-D32 HydrophobicContact CG1-CB 3.86Å; V23-L33 HydrophobicContact CG1-CB 4.39Å |
| 24 | T | 84.8 | Confident | 86.9 | Confident | 41 Ų | 41 | 58.7 Ų | 58.7 | 25% | 0.252 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -92.4 | -9 | 177.2 | 70.6 | 0 | 0 | 0 | 0 | 113.1 | M9 I12 E19 H21 R22 | M9-T24 HydrophobicContact CE-CG2 3.69Å; I12-T24 HydrophobicContact CD1-CG2 3.26Å; E19-T24 PolarHBondContact O-OG1 3.43Å; E19-T24 VanDerWaalsContact O-OG1 3.11Å; H21-T24 PolarHBondContact O-N 3.31Å; H21-T24 PolarHBondContact O-OG1 2.93Å; R22-T24 PolarHBondContact O-N 3.14Å; R22-T24 VanDerWaalsContact O-N 3.15Å |
| 25 | W | 87.9 | Confident | 86.8 | Confident | 160 Ų | 160 | 59.5 Ų | 59.5 | 61% | 0.606 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -67.9 | 152.3 | -178.7 | -61.7 | -0.8 | 0 | 0 | 0 | 111.4 | R5 N20 R22 G27 A28 | R5-W25 PolarHBondContact NH1-O 3.27Å; N20-W25 PolarHBondContact O-NE1 2.79Å; R22-W25 HydrophobicContact CB-CD2 4.16Å; R22-W25 HydrophobicContact CB-CE3 4.18Å; R22-W25 HydrophobicContact CB-CH2 4.32Å; R22-W25 HydrophobicContact CB-CZ2 4.28Å; R22-W25 HydrophobicContact CB-CZ3 4.27Å; R22-W25 WeakPolarHBondContact O-CB 3.27Å; R22-W25 PolarHBondContact O-N 3.07Å; R22-W25 VanDerWaalsContact O-N 3.09Å; W25-G27 VanDerWaalsContact C-N 3.25Å; W25-G27 PolarHBondContact O-N 2.82Å; W25-A28 VanDerWaalsContact O-CB 3.23Å; W25-A28 WeakPolarHBondContact O-CB 3.47Å; W25-A28 PolarHBondContact O-N 2.91Å; W25-A28 VanDerWaalsContact O-N 3.11Å |
| 26 | E | 83.3 | Confident | 86.8 | Confident | 190 Ų | 190 | 49.4 Ų | 49.4 | 89% | 0.888 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -38.3 | -179.3 | -69.2 | -169 | 162.9 | 0 | 0 | 111.8 | R5 A28 | R5-E26 PolarHBondContact NH2-O 3.47Å; E26-A28 VanDerWaalsContact C-N 3.33Å; E26-A28 PolarHBondContact O-N 3.1Å |
| 27 | G | 84.8 | Confident | 86.9 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 72% | 0.722 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 1.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116 | W25 | W25-G27 VanDerWaalsContact C-N 3.25Å; W25-G27 PolarHBondContact O-N 2.82Å |
| 28 | A | 87.1 | Confident | 87 | Confident | 8 Ų | 8 | 51 Ų | 51 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | trans | -63.3 | 144.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W4 R5 R22 W25 E26 | W4-A28 HydrophobicContact CH2-CB 3.94Å; W4-A28 WeakPolarHBondContact CH2-O 3.35Å; R5-A28 PolarHBondContact NH2-O 2.89Å; R22-A28 WeakPolarHBondContact O-CB 3.42Å; W25-A28 VanDerWaalsContact O-CB 3.23Å; W25-A28 WeakPolarHBondContact O-CB 3.47Å; W25-A28 PolarHBondContact O-N 2.91Å; W25-A28 VanDerWaalsContact O-N 3.11Å; E26-A28 VanDerWaalsContact C-N 3.33Å; E26-A28 PolarHBondContact O-N 3.1Å | ||
| 29 | Q | 88.5 | Confident | 87.2 | Confident | 115 Ų | 115 | 50 Ų | 50 | 54% | 0.537 | 25% | 0.253 | S | S | . | . | trans | -111.8 | 161 | 177.2 | -61.8 | -174.3 | -7.8 | 0 | 0 | 110.5 | C31 D32 | Q29-C31 PolarHBondContact O-N 3.4Å; Q29-C31 VanDerWaalsContact O-N 3.11Å; Q29-D32 PolarHBondContact N-OD2 3.33Å; Q29-D32 WeakPolarHBondContact O-CB 3.28Å; Q29-D32 PolarHBondContact O-N 2.84Å | ||
| 30 | V | 88.4 | Confident | 87.5 | Confident | 13 Ų | 13 | 42.3 Ų | 42.3 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.5 | -25.4 | 175.1 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | W4 D32 L33 A34 F105 Y141 L144 | W4-V30 HydrophobicContact CB-CB 4.49Å; W4-V30 HydrophobicContact CB-CG2 3.86Å; W4-V30 HydrophobicContact CD2-CB 3.96Å; W4-V30 HydrophobicContact CD2-CG2 4.24Å; W4-V30 HydrophobicContact CG-CB 3.87Å; W4-V30 HydrophobicContact CG-CG2 3.77Å; V30-D32 VanDerWaalsContact C-N 3.31Å; V30-D32 PolarHBondContact O-N 2.97Å; V30-L33 PolarHBondContact O-N 3.08Å; V30-A34 PolarHBondContact O-N 2.88Å; V30-F105 HydrophobicContact CG2-CD1 3.82Å; V30-F105 HydrophobicContact CG2-CE1 3.74Å; V30-Y141 HydrophobicContact CG2-CD1 3.96Å; V30-Y141 HydrophobicContact CG2-CE1 3.86Å; V30-L144 HydrophobicContact CG1-CD1 4.03Å; V30-L144 HydrophobicContact CG1-CD2 3.67Å; V30-L144 HydrophobicContact CG1-CG 4.27Å; V30-L144 HydrophobicContact CG2-CD1 4.37Å |
| 31 | C | 87.9 | Confident | 87.9 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59 | -39.8 | 172.9 | -165 | 0 | 0 | 0 | 0 | 112.2 | Q29 L33 A34 Q35 L144 | Q29-C31 PolarHBondContact O-N 3.4Å; Q29-C31 VanDerWaalsContact O-N 3.11Å; C31-L33 VanDerWaalsContact C-N 3.31Å; C31-L33 PolarHBondContact O-N 3.39Å; C31-A34 PolarHBondContact O-N 3.11Å; C31-Q35 WeakPolarHBondContact O-CG 3.46Å; C31-Q35 PolarHBondContact O-N 3.24Å; C31-L144 HydrophobicContact CB-CD2 3.82Å |
| 32 | D | 87.9 | Confident | 88.1 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 15% | 0.15 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 179.4 | -60.6 | -59.9 | 0 | 0 | 0 | 111.2 | R22 V23 Q29 V30 A36 | R22-D32 IonicContact NH1-OD1 3.83Å; V23-D32 HydrophobicContact CG1-CB 3.86Å; Q29-D32 PolarHBondContact N-OD2 3.33Å; Q29-D32 WeakPolarHBondContact O-CB 3.28Å; Q29-D32 PolarHBondContact O-N 2.84Å; V30-D32 VanDerWaalsContact C-N 3.31Å; V30-D32 PolarHBondContact O-N 2.97Å; D32-A36 PolarHBondContact O-N 2.85Å; D32-A36 VanDerWaalsContact O-N 3.1Å |
| 33 | L | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.8 | -42.8 | 175.4 | -179.5 | 64.3 | 0 | 0 | 0 | 111.2 | W4 C7 A8 L11 L17 V23 V30 C31 Q35 A36 L37 F105 M109 | W4-L33 HydrophobicContact CB-CD2 4Å; W4-L33 HydrophobicContact CE3-CB 4.01Å; W4-L33 HydrophobicContact CE3-CD2 4.1Å; W4-L33 HydrophobicContact CZ3-CB 4.42Å; W4-L33 WeakPolarHBondContact O-CD2 3.43Å; C7-L33 HydrophobicContact CB-CD2 4.46Å; A8-L33 HydrophobicContact CB-CD1 4.33Å; L11-L33 HydrophobicContact CD1-CD1 3.95Å; L17-L33 HydrophobicContact CD1-CD1 4.29Å; V23-L33 HydrophobicContact CG1-CB 4.39Å; V30-L33 PolarHBondContact O-N 3.08Å; C31-L33 VanDerWaalsContact C-N 3.31Å; C31-L33 PolarHBondContact O-N 3.39Å; L33-Q35 VanDerWaalsContact C-N 3.26Å; L33-Q35 PolarHBondContact O-N 3.02Å; L33-A36 PolarHBondContact O-N 2.82Å; L33-L37 HydrophobicContact CD1-CD1 4.04Å; L33-L37 HydrophobicContact CD1-CG 4.24Å; L33-L37 HydrophobicContact CG-CD1 4.14Å; L33-L37 WeakPolarHBondContact O-CG 3.36Å; L33-L37 PolarHBondContact O-N 2.89Å; L33-L37 VanDerWaalsContact O-N 3.16Å; L33-F105 HydrophobicContact CG-CZ 4.38Å; L33-M109 HydrophobicContact CD2-CE 4.39Å; L33-M109 HydrophobicContact CD2-SD 4.27Å |
| 34 | A | 90.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.5 | -38.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V30 C31 L37 R38 V102 F105 I148 | V30-A34 PolarHBondContact O-N 2.88Å; C31-A34 PolarHBondContact O-N 3.11Å; A34-L37 PolarHBondContact O-N 3.34Å; A34-R38 WeakPolarHBondContact O-CA 3.42Å; A34-R38 VanDerWaalsContact O-CB 3.31Å; A34-R38 WeakPolarHBondContact O-CB 3.45Å; A34-R38 PolarHBondContact O-N 3.09Å; A34-V102 HydrophobicContact CB-CG1 3.91Å; A34-F105 HydrophobicContact CB-CD2 3.92Å; A34-F105 HydrophobicContact CB-CE1 4.19Å; A34-F105 HydrophobicContact CB-CE2 3.48Å; A34-F105 VanDerWaalsContact CB-CE2 3.48Å; A34-F105 HydrophobicContact CB-CG 4.45Å; A34-F105 HydrophobicContact CB-CZ 3.63Å; A34-I148 HydrophobicContact CB-CD1 3.86Å |
| 35 | Q | 87.3 | Confident | 89.1 | Confident | 23 Ų | 23 | 31.9 Ų | 31.9 | 11% | 0.107 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.8 | -47.9 | 175.1 | -74 | -179.4 | -26.6 | 0 | 0 | 112.4 | C31 L33 L37 R38 I148 T151 | C31-Q35 WeakPolarHBondContact O-CG 3.46Å; C31-Q35 PolarHBondContact O-N 3.24Å; L33-Q35 VanDerWaalsContact C-N 3.26Å; L33-Q35 PolarHBondContact O-N 3.02Å; Q35-L37 PolarHBondContact O-N 3.45Å; Q35-R38 WeakPolarHBondContact O-CB 3.45Å; Q35-R38 PolarHBondContact O-N 3.05Å; Q35-R38 VanDerWaalsContact O-N 3.14Å; Q35-I148 HydrophobicContact CG-CD1 3.64Å; Q35-I148 PolarHBondContact NE2-O 3.48Å; Q35-T151 PolarHBondContact NE2-OG1 2.9Å; Q35-T151 PolarHBondContact OE1-O 2.92Å; Q35-T151 PolarHBondContact OE1-OG1 3.49Å |
| 36 | A | 88.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.4 | -32.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L17 D32 L33 L42 L158 | L17-A36 HydrophobicContact CD2-CB 4.37Å; D32-A36 PolarHBondContact O-N 2.85Å; D32-A36 VanDerWaalsContact O-N 3.1Å; L33-A36 PolarHBondContact O-N 2.82Å; A36-L42 HydrophobicContact CB-CD1 4.38Å; A36-L42 WeakPolarHBondContact O-CD1 3.42Å; A36-L158 HydrophobicContact CB-CD2 4.39Å |
| 37 | L | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -92.7 | -12 | 179.9 | -59.9 | 179.7 | 0 | 0 | 0 | 113.9 | L11 L33 A34 Q35 D39 G40 L42 L43 L99 L112 | L11-L37 HydrophobicContact CD1-CD1 4.27Å; L11-L37 HydrophobicContact CD1-CD2 4.02Å; L33-L37 HydrophobicContact CD1-CD1 4.04Å; L33-L37 HydrophobicContact CD1-CG 4.24Å; L33-L37 HydrophobicContact CG-CD1 4.14Å; L33-L37 WeakPolarHBondContact O-CG 3.36Å; L33-L37 PolarHBondContact O-N 2.89Å; L33-L37 VanDerWaalsContact O-N 3.16Å; A34-L37 PolarHBondContact O-N 3.34Å; Q35-L37 PolarHBondContact O-N 3.45Å; L37-D39 PolarHBondContact O-N 2.77Å; L37-D39 VanDerWaalsContact O-N 3.1Å; L37-G40 PolarHBondContact O-N 2.99Å; L37-G40 VanDerWaalsContact O-N 3.08Å; L37-L42 HydrophobicContact CD2-CB 4.18Å; L37-L43 HydrophobicContact CD1-CD2 4.42Å; L37-L43 HydrophobicContact CD2-CD2 3.94Å; L37-L43 HydrophobicContact CD2-CG 4.27Å; L37-L99 HydrophobicContact CB-CD1 4.25Å; L37-L112 HydrophobicContact CD1-CD1 4Å |
| 38 | R | 90.6 | Very high | 90.1 | Very high | 40 Ų | 40 | 12.9 Ų | 12.9 | 15% | 0.151 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.6 | -163.4 | -167.7 | 178.8 | 179.1 | -168.8 | -2 | 114.1 | A34 Q35 I75 F100 I148 D149 | A34-R38 WeakPolarHBondContact O-CA 3.42Å; A34-R38 VanDerWaalsContact O-CB 3.31Å; A34-R38 WeakPolarHBondContact O-CB 3.45Å; A34-R38 PolarHBondContact O-N 3.09Å; Q35-R38 WeakPolarHBondContact O-CB 3.45Å; Q35-R38 PolarHBondContact O-N 3.05Å; Q35-R38 VanDerWaalsContact O-N 3.14Å; R38-I75 WeakPolarHBondContact O-CD1 3.37Å; R38-F100 HydrophobicContact CG-CD2 4.4Å; R38-F100 PolarHBondContact NE-O 3.14Å; R38-I148 PolarHBondContact NH1-O 3.36Å; R38-D149 IonicContact CZ-OD1 2.65Å; R38-D149 VanDerWaalsContact CZ-OD1 3.28Å; R38-D149 IonicContact NH1-OD1 3.31Å; R38-D149 PolarHBondContact NH1-OD1 3.47Å; R38-D149 IonicContact NH2-OD1 2.77Å; R38-D149 PolarHBondContact NH2-OD1 3.3Å |
| 39 | D | 88.1 | Confident | 90.2 | Very high | 12 Ų | 12 | 14 Ų | 14 | 6% | 0.064 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -4.7 | -175.1 | 76 | -8.9 | 0 | 0 | 0 | 114.1 | L37 V41 P64 C71 N74 Y159 | L37-D39 PolarHBondContact O-N 2.77Å; L37-D39 VanDerWaalsContact O-N 3.1Å; D39-V41 PolarHBondContact O-N 2.76Å; D39-V41 PolarHBondContact OD1-N 2.87Å; D39-V41 WeakPolarHBondContact OD2-CG2 3.49Å; D39-P64 HydrophobicContact CB-CG 3.74Å; D39-C71 HydrophobicContact CB-CB 4.43Å; D39-N74 VanDerWaalsContact O-CB 3.25Å; D39-N74 WeakPolarHBondContact O-CB 3.45Å; D39-N74 PolarHBondContact O-ND2 2.9Å; D39-Y159 WeakPolarHBondContact OD2-CE1 3.42Å; D39-Y159 PolarHBondContact OD2-OH 3.29Å |
| 40 | G | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | S | Bend | trans | 73.7 | -1.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L37 L43 C44 | L37-G40 PolarHBondContact O-N 2.99Å; L37-G40 VanDerWaalsContact O-N 3.08Å; G40-L43 PolarHBondContact O-N 3.44Å; G40-C44 PolarHBondContact O-N 2.78Å; G40-C44 PolarHBondContact O-SG 2.74Å |
| 41 | V | 89.9 | Confident | 90.4 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.006 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -66.9 | -52.8 | -177.1 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | D39 L43 C44 Q45 N61 L62 P64 N74 Y159 | D39-V41 PolarHBondContact O-N 2.76Å; D39-V41 PolarHBondContact OD1-N 2.87Å; D39-V41 WeakPolarHBondContact OD2-CG2 3.49Å; V41-L43 PolarHBondContact O-N 3.43Å; V41-C44 PolarHBondContact O-N 3.42Å; V41-C44 VanDerWaalsContact O-N 3.11Å; V41-Q45 PolarHBondContact O-N 2.81Å; V41-N61 VanDerWaalsContact CG2-O 3.3Å; V41-N61 WeakPolarHBondContact CG2-O 3.36Å; V41-L62 HydrophobicContact CG1-CD2 4.26Å; V41-P64 HydrophobicContact CG2-CG 4.32Å; V41-N74 WeakPolarHBondContact CG2-ND2 3.34Å; V41-Y159 HydrophobicContact CB-CD1 4.22Å; V41-Y159 HydrophobicContact CB-CE1 3.84Å; V41-Y159 HydrophobicContact CG1-CD1 3.76Å; V41-Y159 HydrophobicContact CG1-CE1 3.92Å; V41-Y159 HydrophobicContact CG2-CE1 4.38Å |
| 42 | L | 91.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.1 | -31.7 | 177.7 | -64.8 | -169.8 | 0 | 0 | 0 | 112.6 | V16 L17 A36 L37 Q45 L46 L158 Y159 F161 V162 | V16-L42 HydrophobicContact CG1-CB 3.72Å; V16-L42 HydrophobicContact CG1-CD2 4.32Å; V16-L42 HydrophobicContact CG1-CG 4.41Å; V16-L42 VanDerWaalsContact CG1-O 3.31Å; V16-L42 WeakPolarHBondContact CG1-O 3.47Å; L17-L42 HydrophobicContact CD2-CD1 3.58Å; L17-L42 HydrophobicContact CG-CD1 4.27Å; A36-L42 HydrophobicContact CB-CD1 4.38Å; A36-L42 WeakPolarHBondContact O-CD1 3.42Å; L37-L42 HydrophobicContact CD2-CB 4.18Å; L42-Q45 PolarHBondContact O-N 3.09Å; L42-L46 WeakPolarHBondContact O-CB 3.38Å; L42-L46 PolarHBondContact O-N 2.79Å; L42-L158 HydrophobicContact CD1-CD1 3.92Å; L42-L158 HydrophobicContact CD1-CD2 4.49Å; L42-L158 HydrophobicContact CD1-CG 4.26Å; L42-Y159 HydrophobicContact CD2-CD1 4.31Å; L42-Y159 HydrophobicContact CD2-CE1 4.47Å; L42-Y159 HydrophobicContact CG-CE1 4.47Å; L42-F161 HydrophobicContact CD2-CE2 4.39Å; L42-V162 HydrophobicContact CD2-CG2 3.9Å |
| 43 | L | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.1 | -41.6 | 174.7 | -68.9 | -177.7 | 0 | 0 | 0 | 112 | L37 G40 V41 L46 L47 F78 F94 L99 L112 | L37-L43 HydrophobicContact CD1-CD2 4.42Å; L37-L43 HydrophobicContact CD2-CD2 3.94Å; L37-L43 HydrophobicContact CD2-CG 4.27Å; G40-L43 PolarHBondContact O-N 3.44Å; V41-L43 PolarHBondContact O-N 3.43Å; L43-L46 WeakPolarHBondContact O-CB 3.4Å; L43-L46 PolarHBondContact O-N 3.35Å; L43-L47 PolarHBondContact O-N 2.74Å; L43-F78 HydrophobicContact CB-CB 4.23Å; L43-F78 HydrophobicContact CB-CD1 4.38Å; L43-F78 HydrophobicContact CB-CD2 3.61Å; L43-F78 HydrophobicContact CB-CE2 4Å; L43-F78 HydrophobicContact CB-CG 3.81Å; L43-F78 HydrophobicContact CD1-CD1 4.14Å; L43-F78 HydrophobicContact CD1-CE1 4.32Å; L43-F78 HydrophobicContact CD1-CG 4.37Å; L43-F78 HydrophobicContact CD2-CE2 4.34Å; L43-F78 HydrophobicContact CD2-CZ 4.36Å; L43-F78 VanDerWaalsContact O-CD2 3.26Å; L43-F78 WeakPolarHBondContact O-CD2 3.11Å; L43-F94 HydrophobicContact CD1-CZ 4.14Å; L43-L99 HydrophobicContact CD1-CD2 3.38Å; L43-L112 HydrophobicContact CD2-CD1 4.36Å; L43-L112 HydrophobicContact CD2-CD2 3.86Å |
| 44 | C | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 173.1 | -73.3 | 0 | 0 | 0 | 0 | 111.9 | G40 V41 L47 N48 V55 I60 | G40-C44 PolarHBondContact O-N 2.78Å; G40-C44 PolarHBondContact O-SG 2.74Å; V41-C44 PolarHBondContact O-N 3.42Å; V41-C44 VanDerWaalsContact O-N 3.11Å; C44-L47 PolarHBondContact O-N 3.15Å; C44-N48 PolarHBondContact O-N 2.98Å; C44-V55 HydrophobicContact CB-CG1 4.09Å; C44-V55 HydrophobicContact CB-CG2 4.33Å; C44-I60 HydrophobicContact CB-CD1 3.47Å; C44-I60 VanDerWaalsContact CB-CD1 3.47Å |
| 45 | Q | 89.8 | Confident | 89.6 | Confident | 7 Ų | 7 | 22.2 Ų | 22.2 | 3% | 0.033 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 175.6 | -172.4 | 59.6 | 25.1 | 0 | 0 | 112.1 | V41 L42 L47 N48 N49 V162 | V41-Q45 PolarHBondContact O-N 2.81Å; L42-Q45 PolarHBondContact O-N 3.09Å; Q45-L47 VanDerWaalsContact C-N 3.25Å; Q45-L47 PolarHBondContact O-N 2.92Å; Q45-N48 PolarHBondContact O-N 3.25Å; Q45-N49 PolarHBondContact NE2-OD1 2.88Å; Q45-N49 PolarHBondContact O-N 3.45Å; Q45-N49 PolarHBondContact O-OD1 3.35Å; Q45-V162 HydrophobicContact CB-CG1 4.44Å; Q45-V162 HydrophobicContact CG-CG1 4.25Å; Q45-V162 HydrophobicContact CG-CG2 4.46Å |
| 46 | L | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -51.3 | -46.3 | 173.3 | 172.6 | 64.2 | 0 | 0 | 0 | 111.6 | W10 L11 C14 V16 L42 L43 N48 N49 L50 L112 L115 | W10-L46 HydrophobicContact CH2-CD1 3.83Å; W10-L46 HydrophobicContact CH2-CD2 3.93Å; W10-L46 HydrophobicContact CH2-CG 4.35Å; W10-L46 HydrophobicContact CZ2-CD1 4.47Å; W10-L46 HydrophobicContact CZ3-CD1 3.96Å; W10-L46 HydrophobicContact CZ3-CD2 3.7Å; W10-L46 HydrophobicContact CZ3-CG 4.44Å; L11-L46 HydrophobicContact CD2-CD1 4.16Å; L11-L46 HydrophobicContact CD2-CD2 3.89Å; L11-L46 HydrophobicContact CD2-CG 4.48Å; C14-L46 HydrophobicContact CB-CD1 3.65Å; V16-L46 HydrophobicContact CG2-CB 3.75Å; V16-L46 HydrophobicContact CG2-CD1 3.81Å; V16-L46 HydrophobicContact CG2-CG 4.4Å; L42-L46 WeakPolarHBondContact O-CB 3.38Å; L42-L46 PolarHBondContact O-N 2.79Å; L43-L46 WeakPolarHBondContact O-CB 3.4Å; L43-L46 PolarHBondContact O-N 3.35Å; L46-N48 VanDerWaalsContact C-N 3.33Å; L46-N48 PolarHBondContact O-N 2.78Å; L46-N49 PolarHBondContact O-N 2.87Å; L46-L50 HydrophobicContact CD1-CD1 3.95Å; L46-L50 HydrophobicContact CD1-CG 4.11Å; L46-L50 HydrophobicContact CG-CD1 4.09Å; L46-L50 VanDerWaalsContact O-CG 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.32Å; L46-L50 PolarHBondContact O-N 2.91Å; L46-L112 HydrophobicContact CD2-CD2 3.99Å; L46-L115 HydrophobicContact CD2-CD2 3.86Å; L46-L115 HydrophobicContact CG-CD2 4.47Å |
| 47 | L | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.9 | -38.2 | 179.8 | -61.4 | -177.1 | 0 | 0 | 0 | 112.2 | L43 C44 Q45 L50 L51 A54 V55 F78 I81 F86 L115 | L43-L47 PolarHBondContact O-N 2.74Å; C44-L47 PolarHBondContact O-N 3.15Å; Q45-L47 VanDerWaalsContact C-N 3.25Å; Q45-L47 PolarHBondContact O-N 2.92Å; L47-L50 PolarHBondContact O-N 3.45Å; L47-L51 PolarHBondContact O-N 3.2Å; L47-L51 VanDerWaalsContact O-O 3.07Å; L47-A54 HydrophobicContact CB-CB 4.13Å; L47-A54 WeakPolarHBondContact O-CB 3.41Å; L47-V55 HydrophobicContact CB-CG2 3.88Å; L47-V55 HydrophobicContact CD1-CG2 3.93Å; L47-V55 HydrophobicContact CG-CG2 4.49Å; L47-F78 HydrophobicContact CD1-CD2 3.47Å; L47-F78 VanDerWaalsContact CD1-CD2 3.47Å; L47-F78 HydrophobicContact CD1-CE2 4.01Å; L47-F78 HydrophobicContact CD1-CG 4.32Å; L47-F78 HydrophobicContact CD2-CD2 4.14Å; L47-F78 HydrophobicContact CD2-CE2 3.81Å; L47-F78 HydrophobicContact CG-CD2 3.7Å; L47-F78 HydrophobicContact CG-CE2 3.87Å; L47-I81 HydrophobicContact CD1-CB 3.81Å; L47-I81 HydrophobicContact CD1-CG2 3.73Å; L47-F86 HydrophobicContact CB-CE2 4.06Å; L47-F86 HydrophobicContact CB-CZ 4.31Å; L47-F86 HydrophobicContact CD2-CD2 4.02Å; L47-F86 HydrophobicContact CD2-CE2 3.65Å; L47-F86 HydrophobicContact CD2-CZ 3.91Å; L47-F86 HydrophobicContact CG-CE2 4.3Å; L47-L115 HydrophobicContact CD2-CD1 4.3Å; L47-L115 HydrophobicContact CD2-CD2 3.79Å |
| 48 | N | 89.8 | Confident | 87 | Confident | 20 Ų | 20 | 27.6 Ų | 27.6 | 11% | 0.107 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.1 | -39.9 | 174.9 | -84.2 | -18.4 | 0 | 0 | 0 | 112.8 | C44 Q45 L46 L50 L51 A54 V55 L57 | C44-N48 PolarHBondContact O-N 2.98Å; Q45-N48 PolarHBondContact O-N 3.25Å; L46-N48 VanDerWaalsContact C-N 3.33Å; L46-N48 PolarHBondContact O-N 2.78Å; N48-L50 VanDerWaalsContact C-N 3.26Å; N48-L50 PolarHBondContact O-N 3.25Å; N48-L51 CarbonylContact C-O 3.58Å; N48-L51 WeakPolarHBondContact CA-O 3.34Å; N48-L51 CarbonylContact O-C 3.48Å; N48-L51 PolarHBondContact O-N 3.01Å; N48-A54 PolarHBondContact OD1-N 2.73Å; N48-V55 PolarHBondContact ND2-O 3.33Å; N48-V55 PolarHBondContact OD1-N 2.83Å; N48-V55 PolarHBondContact OD1-O 3.31Å; N48-V55 VanDerWaalsContact OD1-O 3.11Å; N48-L57 WeakPolarHBondContact ND2-CD2 3.03Å; N48-L57 VanDerWaalsContact ND2-CG 3.33Å; N48-L57 WeakPolarHBondContact ND2-CG 3.39Å |
| 49 | N | 89.8 | Confident | 86 | Confident | 32 Ų | 32 | 30.8 Ų | 30.8 | 17% | 0.171 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.9 | -31 | 176 | -71.5 | 5.1 | 0 | 0 | 0 | 111.6 | C14 R15 Q45 L46 R124 | C14-N49 WeakPolarHBondContact O-CB 3.48Å; C14-N49 PolarHBondContact O-ND2 3.26Å; R15-N49 PolarHBondContact O-ND2 3.2Å; Q45-N49 PolarHBondContact NE2-OD1 2.88Å; Q45-N49 PolarHBondContact O-N 3.45Å; Q45-N49 PolarHBondContact O-OD1 3.35Å; L46-N49 PolarHBondContact O-N 2.87Å; N49-R124 PolarHBondContact O-NE 2.86Å; N49-R124 PolarHBondContact O-NH1 3.23Å; N49-R124 PolarHBondContact O-NH2 3.39Å; N49-R124 VanDerWaalsContact O-NH2 3.12Å |
| 50 | L | 91.2 | Very high | 85.4 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -80.1 | -47.1 | 174.6 | -67.3 | 175.6 | 0 | 0 | 0 | 112 | W10 L46 L47 N48 F86 L115 V120 A121 R124 L126 | W10-L50 HydrophobicContact CH2-CD1 4.15Å; W10-L50 HydrophobicContact CZ2-CD1 4.28Å; W10-L50 HydrophobicContact CZ2-CD2 4.44Å; L46-L50 HydrophobicContact CD1-CD1 3.95Å; L46-L50 HydrophobicContact CD1-CG 4.11Å; L46-L50 HydrophobicContact CG-CD1 4.09Å; L46-L50 VanDerWaalsContact O-CG 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.32Å; L46-L50 PolarHBondContact O-N 2.91Å; L47-L50 PolarHBondContact O-N 3.45Å; N48-L50 VanDerWaalsContact C-N 3.26Å; N48-L50 PolarHBondContact O-N 3.25Å; L50-F86 HydrophobicContact CB-CE1 3.89Å; L50-F86 HydrophobicContact CB-CZ 3.99Å; L50-F86 HydrophobicContact CD1-CE1 4.14Å; L50-L115 HydrophobicContact CD1-CD2 4.27Å; L50-L115 HydrophobicContact CD1-CG 4.18Å; L50-V120 HydrophobicContact CB-CG1 4.41Å; L50-V120 WeakPolarHBondContact O-CG1 3.36Å; L50-A121 HydrophobicContact CD2-CB 4.01Å; L50-R124 PolarHBondContact O-NE 3.4Å; L50-R124 PolarHBondContact O-NH2 3.31Å; L50-L126 HydrophobicContact CD2-CD1 3.48Å; L50-L126 VanDerWaalsContact CD2-CD1 3.48Å |
| 51 | L | 89.3 | Confident | 84.5 | Confident | 58 Ų | 58 | 32.9 Ų | 32.9 | 30% | 0.304 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -130.4 | 111.7 | -179.9 | 177.8 | 67.2 | 0 | 0 | 0 | 109 | L47 N48 Q53 A54 K85 F86 V120 | L47-L51 PolarHBondContact O-N 3.2Å; L47-L51 VanDerWaalsContact O-O 3.07Å; N48-L51 CarbonylContact C-O 3.58Å; N48-L51 WeakPolarHBondContact CA-O 3.34Å; N48-L51 CarbonylContact O-C 3.48Å; N48-L51 PolarHBondContact O-N 3.01Å; L51-Q53 PolarHBondContact O-N 2.82Å; L51-A54 HydrophobicContact CB-CB 4.01Å; L51-A54 HydrophobicContact CD2-CB 4.16Å; L51-A54 HydrophobicContact CG-CB 4.2Å; L51-A54 WeakPolarHBondContact O-CB 3.43Å; L51-A54 PolarHBondContact O-N 2.64Å; L51-K85 HydrophobicContact CD2-CB 4.09Å; L51-K85 HydrophobicContact CD2-CD 4.21Å; L51-F86 HydrophobicContact CB-CE1 4.37Å; L51-F86 HydrophobicContact CB-CE2 4.28Å; L51-F86 HydrophobicContact CB-CZ 3.67Å; L51-F86 HydrophobicContact CD2-CE2 4.36Å; L51-F86 HydrophobicContact CD2-CZ 4.45Å; L51-V120 HydrophobicContact CB-CG1 4.14Å |
| 52 | P | 85.4 | Confident | 83.8 | Confident | 89 Ų | 89 | 35 Ų | 35 | 58% | 0.578 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 137 | -177.8 | -23.7 | 35.4 | 0 | 0 | 0 | 111.3 | A54 | P52-A54 PolarHBondContact O-N 3.44Š|
| 53 | Q | 80.9 | Confident | 83 | Confident | 174 Ų | 174 | 41.4 Ų | 41.4 | 81% | 0.813 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 26.8 | -177.8 | -53.4 | 177.6 | -4.9 | 0 | 0 | 113.8 | L51 V55 K85 | L51-Q53 PolarHBondContact O-N 2.82Å; Q53-V55 VanDerWaalsContact C-N 3.35Å; Q53-K85 PolarHBondContact O-NZ 2.6Å |
| 54 | A | 86.7 | Confident | 81.8 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 2% | 0.017 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -62.5 | -44.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L47 N48 L51 P52 I81 K85 F86 | L47-A54 HydrophobicContact CB-CB 4.13Å; L47-A54 WeakPolarHBondContact O-CB 3.41Å; N48-A54 PolarHBondContact OD1-N 2.73Å; L51-A54 HydrophobicContact CB-CB 4.01Å; L51-A54 HydrophobicContact CD2-CB 4.16Å; L51-A54 HydrophobicContact CG-CB 4.2Å; L51-A54 WeakPolarHBondContact O-CB 3.43Å; L51-A54 PolarHBondContact O-N 2.64Å; P52-A54 PolarHBondContact O-N 3.44Å; A54-I81 HydrophobicContact CB-CG2 4.18Å; A54-K85 HydrophobicContact CB-CD 4.26Å; A54-K85 WeakPolarHBondContact O-CE 3.39Å; A54-K85 PolarHBondContact O-NZ 3.44Å; A54-F86 HydrophobicContact CB-CE2 4.15Å |
| 55 | V | 85.8 | Confident | 80.5 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -117.1 | 129.5 | 177.5 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | C44 L47 N48 Q53 L57 I60 T77 I81 | C44-V55 HydrophobicContact CB-CG1 4.09Å; C44-V55 HydrophobicContact CB-CG2 4.33Å; L47-V55 HydrophobicContact CB-CG2 3.88Å; L47-V55 HydrophobicContact CD1-CG2 3.93Å; L47-V55 HydrophobicContact CG-CG2 4.49Å; N48-V55 PolarHBondContact ND2-O 3.33Å; N48-V55 PolarHBondContact OD1-N 2.83Å; N48-V55 PolarHBondContact OD1-O 3.31Å; N48-V55 VanDerWaalsContact OD1-O 3.11Å; Q53-V55 VanDerWaalsContact C-N 3.35Å; V55-L57 PolarHBondContact O-N 2.81Å; V55-L57 VanDerWaalsContact O-N 3.17Å; V55-I60 HydrophobicContact CG1-CG2 3.99Å; V55-T77 HydrophobicContact CG1-CG2 4.04Å; V55-I81 HydrophobicContact CG2-CB 4.39Å; V55-I81 HydrophobicContact CG2-CG1 4.17Å; V55-I81 HydrophobicContact CG2-CG2 4.21Å |
| 56 | N | 77.3 | Confident | 79.1 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 31% | 0.31 | 25% | 0.253 | S | S | . | . | trans | -73.3 | 104.5 | 168 | -174.2 | -6.9 | 0 | 0 | 0 | 108.4 | R58 E59 | N56-R58 PolarHBondContact O-N 2.94Å; N56-R58 WeakPolarHBondContact OD1-CB 3.49Å; N56-R58 PolarHBondContact OD1-N 2.87Å; N56-E59 HydrophobicContact CB-CB 4.39Å; N56-E59 HydrophobicContact CB-CG 4.05Å; N56-E59 PolarHBondContact ND2-OE1 2.81Å; N56-E59 WeakPolarHBondContact O-CB 2.9Å; N56-E59 PolarHBondContact O-N 2.96Å | ||
| 57 | L | 71 | Confident | 78.5 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -60 | -21.2 | -177.3 | -66.1 | 178.2 | 0 | 0 | 0 | 112.2 | N48 V55 E59 I60 L62 | N48-L57 WeakPolarHBondContact ND2-CD2 3.03Å; N48-L57 VanDerWaalsContact ND2-CG 3.33Å; N48-L57 WeakPolarHBondContact ND2-CG 3.39Å; V55-L57 PolarHBondContact O-N 2.81Å; V55-L57 VanDerWaalsContact O-N 3.17Å; L57-E59 PolarHBondContact O-N 2.86Å; L57-I60 HydrophobicContact CD2-CD1 3.63Å; L57-I60 HydrophobicContact CD2-CG1 4.38Å; L57-I60 VanDerWaalsContact O-CG1 3.26Å; L57-I60 WeakPolarHBondContact O-CG1 3.22Å; L57-L62 HydrophobicContact CD2-CD2 4.49Å |
| 58 | R | 64.7 | Low | 78.1 | Confident | 61 Ų | 61 | 53.1 Ų | 53.1 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -73.9 | -5.7 | 174 | -51.6 | -176.3 | -174.4 | -177.6 | -1.3 | 114.8 | N56 E165 S290 K291 | N56-R58 PolarHBondContact O-N 2.94Å; N56-R58 WeakPolarHBondContact OD1-CB 3.49Å; N56-R58 PolarHBondContact OD1-N 2.87Å; R58-E165 IonicContact CZ-OE2 2.95Å; R58-E165 VanDerWaalsContact CZ-OE2 3.23Å; R58-E165 IonicContact NE-OE2 3.92Å; R58-E165 PolarHBondContact NE-OE2 3.1Å; R58-E165 IonicContact NH2-OE2 2.62Å; R58-E165 PolarHBondContact NH2-OE2 2.84Å; R58-S290 PolarHBondContact NH1-OG 3.12Å; R58-S290 VanDerWaalsContact NH1-OG 3.12Å; R58-K291 PolarHBondContact O-NZ 2.97Å |
| 59 | E | 69.3 | Low | 77.8 | Confident | 108 Ų | 108 | 52.6 Ų | 52.6 | 51% | 0.505 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -103.8 | -15.7 | 179.6 | -70.5 | 175.3 | -162.7 | 0 | 0 | 113 | N56 L57 K73 | N56-E59 HydrophobicContact CB-CB 4.39Å; N56-E59 HydrophobicContact CB-CG 4.05Å; N56-E59 PolarHBondContact ND2-OE1 2.81Å; N56-E59 WeakPolarHBondContact O-CB 2.9Å; N56-E59 PolarHBondContact O-N 2.96Å; L57-E59 PolarHBondContact O-N 2.86Å; E59-K73 PolarHBondContact O-NZ 2.77Å |
| 60 | I | 77.3 | Confident | 77.4 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -98.6 | 163.6 | 172.7 | 68.4 | 171.6 | 0 | 0 | 0 | 109.9 | C44 V55 L57 L62 N74 T77 | C44-I60 HydrophobicContact CB-CD1 3.47Å; C44-I60 VanDerWaalsContact CB-CD1 3.47Å; V55-I60 HydrophobicContact CG1-CG2 3.99Å; L57-I60 HydrophobicContact CD2-CD1 3.63Å; L57-I60 HydrophobicContact CD2-CG1 4.38Å; L57-I60 VanDerWaalsContact O-CG1 3.26Å; L57-I60 WeakPolarHBondContact O-CG1 3.22Å; I60-L62 HydrophobicContact CD1-CD2 4.03Å; I60-L62 HydrophobicContact CG1-CD2 4.19Å; I60-N74 WeakPolarHBondContact CA-OD1 3.31Å; I60-N74 WeakPolarHBondContact CB-OD1 3.43Å; I60-T77 HydrophobicContact CG2-CG2 3.84Å |
| 61 | N | 71.3 | Confident | 77.3 | Confident | 46 Ų | 46 | 51.8 Ų | 51.8 | 25% | 0.246 | 25% | 0.252 | C | S | . | . | trans | -102.4 | 112.2 | 175.6 | -70.1 | -102.8 | 0 | 0 | 0 | 108.1 | V41 R63 L70 N74 | V41-N61 VanDerWaalsContact CG2-O 3.3Å; V41-N61 WeakPolarHBondContact CG2-O 3.36Å; N61-R63 VanDerWaalsContact C-N 3.3Å; N61-R63 PolarHBondContact O-N 2.91Å; N61-L70 HydrophobicContact CB-CB 4.32Å; N61-L70 HydrophobicContact CB-CD1 3.99Å; N61-L70 HydrophobicContact CB-CD2 4.4Å; N61-L70 HydrophobicContact CB-CG 4.47Å; N61-L70 WeakPolarHBondContact ND2-CD2 3.43Å; N61-N74 PolarHBondContact N-OD1 2.91Å; N61-N74 PolarHBondContact O-ND2 2.9Å | ||
| 62 | L | 75.5 | Confident | 77.2 | Confident | 45 Ų | 45 | 49.3 Ų | 49.3 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -70.2 | -27.8 | -176.2 | -62.6 | 175.2 | 0 | 0 | 0 | 112.8 | V41 L57 I60 V162 D164 | V41-L62 HydrophobicContact CG1-CD2 4.26Å; L57-L62 HydrophobicContact CD2-CD2 4.49Å; I60-L62 HydrophobicContact CD1-CD2 4.03Å; I60-L62 HydrophobicContact CG1-CD2 4.19Å; L62-V162 HydrophobicContact CD2-CG1 4.22Å; L62-D164 WeakPolarHBondContact CD1-OD1 3.46Å |
| 63 | R | 74.9 | Confident | 77.2 | Confident | 135 Ų | 135 | 48.3 Ų | 48.3 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | trans | -128 | 81 | 174.8 | -62.3 | -172.1 | -176.4 | -146.1 | -3 | 109.4 | N61 Q65 D160 | N61-R63 VanDerWaalsContact C-N 3.3Å; N61-R63 PolarHBondContact O-N 2.91Å; R63-Q65 HydrophobicContact CB-CG 4.27Å; R63-Q65 WeakPolarHBondContact O-CG 3.31Å; R63-Q65 PolarHBondContact O-N 3.07Å; R63-Q65 VanDerWaalsContact O-N 3.1Å; R63-D160 IonicContact NH2-OD1 2.65Å | ||
| 64 | P | 67.9 | Low | 77.6 | Confident | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.039 | 19% | 0.187 | C | C | . | . | trans | -70.2 | -3.1 | -176.1 | 25.2 | -29.2 | 0 | 0 | 0 | 114 | D39 V41 M66 S67 L70 | D39-P64 HydrophobicContact CB-CG 3.74Å; V41-P64 HydrophobicContact CG2-CG 4.32Å; P64-M66 PolarHBondContact O-N 2.86Å; P64-M66 VanDerWaalsContact O-N 3.15Å; P64-S67 WeakPolarHBondContact O-CB 3.48Å; P64-S67 PolarHBondContact O-N 2.81Å; P64-L70 HydrophobicContact CB-CB 3.77Å; P64-L70 HydrophobicContact CB-CD1 4.4Å | ||
| 65 | Q | 65.3 | Low | 78 | Confident | 146 Ų | 146 | 40 Ų | 40 | 68% | 0.682 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 40.6 | 57.5 | 165.1 | -70.8 | -177.6 | -10.1 | 0 | 0 | 114.3 | R63 S67 | R63-Q65 HydrophobicContact CB-CG 4.27Å; R63-Q65 WeakPolarHBondContact O-CG 3.31Å; R63-Q65 PolarHBondContact O-N 3.07Å; R63-Q65 VanDerWaalsContact O-N 3.1Å; Q65-S67 PolarHBondContact O-N 3.12Å |
| 66 | M | 61.6 | Low | 78.3 | Confident | 79 Ų | 79 | 43 Ų | 43 | 39% | 0.389 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 9.4 | 177.4 | -52.8 | -65 | 129.8 | 0 | 0 | 116.2 | P64 Q68 | P64-M66 PolarHBondContact O-N 2.86Å; P64-M66 VanDerWaalsContact O-N 3.15Å; M66-Q68 PolarHBondContact O-N 2.8Å |
| 67 | S | 80.7 | Confident | 79 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -84 | 112.1 | 172.9 | 138.9 | 0 | 0 | 0 | 0 | 111.3 | P64 Q65 F69 L70 C71 D405 | P64-S67 WeakPolarHBondContact O-CB 3.48Å; P64-S67 PolarHBondContact O-N 2.81Å; Q65-S67 PolarHBondContact O-N 3.12Å; S67-F69 VanDerWaalsContact C-N 3.26Å; S67-F69 PolarHBondContact O-N 3Å; S67-L70 PolarHBondContact O-N 2.86Å; S67-L70 WeakPolarHBondContact OG-CB 3.29Å; S67-L70 WeakPolarHBondContact OG-CG 3.43Å; S67-L70 PolarHBondContact OG-N 3.17Å; S67-C71 PolarHBondContact O-N 3.24Å; S67-C71 PolarHBondContact O-SG 2.85Å; S67-D405 WeakPolarHBondContact CA-OD1 3.5Å; S67-D405 WeakPolarHBondContact CB-OD1 3.19Å; S67-D405 PolarHBondContact OG-OD1 2.85Å |
| 68 | Q | 84.7 | Confident | 80.1 | Confident | 18 Ų | 18 | 40.9 Ų | 40.9 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.2 | -38.7 | 173.7 | 168.9 | 169.8 | 12.8 | 0 | 0 | 111.8 | M66 C71 L72 F100 Y422 | M66-Q68 PolarHBondContact O-N 2.8Å; Q68-C71 PolarHBondContact O-N 3.16Å; Q68-L72 HydrophobicContact CG-CD1 3.84Å; Q68-L72 HydrophobicContact CG-CG 4.39Å; Q68-L72 WeakPolarHBondContact O-CG 3.26Å; Q68-L72 PolarHBondContact O-N 3.14Å; Q68-L72 VanDerWaalsContact O-N 3.09Å; Q68-F100 HydrophobicContact CB-CE1 4.01Å; Q68-F100 HydrophobicContact CB-CE2 4.35Å; Q68-F100 HydrophobicContact CB-CZ 3.56Å; Q68-F100 VanDerWaalsContact CD-CE1 3.46Å; Q68-F100 HydrophobicContact CG-CD1 4.19Å; Q68-F100 HydrophobicContact CG-CE1 3.41Å; Q68-F100 VanDerWaalsContact CG-CE1 3.41Å; Q68-F100 HydrophobicContact CG-CE2 4.27Å; Q68-F100 HydrophobicContact CG-CZ 3.46Å; Q68-F100 VanDerWaalsContact CG-CZ 3.46Å; Q68-Y422 WeakPolarHBondContact CB-OH 3.29Å; Q68-Y422 HydrophobicContact CG-CE2 4.38Å; Q68-Y422 WeakPolarHBondContact CG-OH 3.29Å |
| 69 | F | 83.1 | Confident | 81.6 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.9 | -50.7 | 179.6 | 179.2 | -87.5 | 0 | 0 | 0 | 112.3 | S67 L72 K73 S384 F385 D405 Y422 E439 F441 | S67-F69 VanDerWaalsContact C-N 3.26Å; S67-F69 PolarHBondContact O-N 3Å; F69-L72 PolarHBondContact O-N 2.99Å; F69-K73 PolarHBondContact O-N 3.22Å; F69-S384 WeakPolarHBondContact CE1-OG 3.31Å; F69-F385 HydrophobicContact CB-CE1 3.87Å; F69-F385 AromaticContact CD1-CD1 3.96Å; F69-F385 HydrophobicContact CD1-CD1 3.96Å; F69-F385 AromaticContact CD1-CE1 3.62Å; F69-F385 HydrophobicContact CD1-CE1 3.62Å; F69-F385 HydrophobicContact CE1-CD1 4.35Å; F69-F385 HydrophobicContact CE1-CE1 4.39Å; F69-F385 HydrophobicContact CG-CD1 4.16Å; F69-F385 AromaticContact CG-CE1 3.83Å; F69-F385 HydrophobicContact CG-CE1 3.83Å; F69-D405 WeakPolarHBondContact CB-OD2 3.4Å; F69-D405 PolarHBondContact N-OD2 3.05Å; F69-Y422 PolarHBondContact N-OH 3.22Å; F69-E439 HydrophobicContact CE2-CB 4.4Å; F69-F441 AromaticContact CD2-CE2 3.87Å; F69-F441 HydrophobicContact CD2-CE2 3.87Å; F69-F441 HydrophobicContact CD2-CZ 4.29Å; F69-F441 HydrophobicContact CE2-CE2 4.04Å |
| 70 | L | 82.3 | Confident | 82.8 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 179.5 | -67.3 | -176.2 | 0 | 0 | 0 | 112.9 | N61 P64 S67 L72 K73 N74 Q381 | N61-L70 HydrophobicContact CB-CB 4.32Å; N61-L70 HydrophobicContact CB-CD1 3.99Å; N61-L70 HydrophobicContact CB-CD2 4.4Å; N61-L70 HydrophobicContact CB-CG 4.47Å; N61-L70 WeakPolarHBondContact ND2-CD2 3.43Å; P64-L70 HydrophobicContact CB-CB 3.77Å; P64-L70 HydrophobicContact CB-CD1 4.4Å; S67-L70 PolarHBondContact O-N 2.86Å; S67-L70 WeakPolarHBondContact OG-CB 3.29Å; S67-L70 WeakPolarHBondContact OG-CG 3.43Å; S67-L70 PolarHBondContact OG-N 3.17Å; L70-L72 VanDerWaalsContact C-N 3.34Å; L70-L72 PolarHBondContact O-N 3.16Å; L70-K73 WeakPolarHBondContact O-CB 3.36Å; L70-K73 PolarHBondContact O-N 3.22Å; L70-N74 PolarHBondContact O-N 2.73Å; L70-Q381 HydrophobicContact CD1-CG 4.14Å; L70-Q381 VanDerWaalsContact CD1-NE2 3.3Å; L70-Q381 HydrophobicContact CD2-CG 4.46Å; L70-Q381 HydrophobicContact CG-CG 4.5Å |
| 71 | C | 88.4 | Confident | 83.6 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 7% | 0.074 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 175.8 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | D39 S67 Q68 K73 N74 I75 F100 | D39-C71 HydrophobicContact CB-CB 4.43Å; S67-C71 PolarHBondContact O-N 3.24Å; S67-C71 PolarHBondContact O-SG 2.85Å; Q68-C71 PolarHBondContact O-N 3.16Å; C71-K73 VanDerWaalsContact C-N 3.29Å; C71-K73 PolarHBondContact O-N 3.44Å; C71-N74 PolarHBondContact O-N 2.67Å; C71-I75 VanDerWaalsContact O-CG1 3.25Å; C71-I75 WeakPolarHBondContact O-CG1 3.34Å; C71-I75 PolarHBondContact O-N 2.95Å; C71-F100 HydrophobicContact CB-CD2 3.63Å; C71-F100 HydrophobicContact CB-CE2 3.48Å; C71-F100 VanDerWaalsContact CB-CE2 3.48Å |
| 72 | L | 87.3 | Confident | 84.7 | Confident | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -35.7 | 178.2 | -70.5 | 170.9 | 0 | 0 | 0 | 112.3 | Q68 F69 L70 R76 A96 F97 F100 | Q68-L72 HydrophobicContact CG-CD1 3.84Å; Q68-L72 HydrophobicContact CG-CG 4.39Å; Q68-L72 WeakPolarHBondContact O-CG 3.26Å; Q68-L72 PolarHBondContact O-N 3.14Å; Q68-L72 VanDerWaalsContact O-N 3.09Å; F69-L72 PolarHBondContact O-N 2.99Å; L70-L72 VanDerWaalsContact C-N 3.34Å; L70-L72 PolarHBondContact O-N 3.16Å; L72-R76 WeakPolarHBondContact O-CB 3.24Å; L72-R76 VanDerWaalsContact O-CG 3.25Å; L72-R76 WeakPolarHBondContact O-CG 3.37Å; L72-R76 PolarHBondContact O-N 3.03Å; L72-A96 HydrophobicContact CD2-CB 3.88Å; L72-F97 HydrophobicContact CD1-CD1 4.48Å; L72-F97 HydrophobicContact CD1-CE1 3.59Å; L72-F97 HydrophobicContact CD1-CZ 3.75Å; L72-F97 HydrophobicContact CD2-CD1 4.06Å; L72-F97 HydrophobicContact CD2-CE1 3.92Å; L72-F97 HydrophobicContact CD2-CG 4.5Å; L72-F97 HydrophobicContact CD2-CZ 4.24Å; L72-F97 HydrophobicContact CG-CE1 4.43Å; L72-F100 HydrophobicContact CD2-CB 3.68Å; L72-F100 HydrophobicContact CD2-CD1 4.33Å; L72-F100 HydrophobicContact CD2-CD2 4.49Å; L72-F100 HydrophobicContact CD2-CG 3.9Å; L72-F100 HydrophobicContact CG-CG 4.28Å |
| 73 | K | 85.4 | Confident | 85.6 | Confident | 68 Ų | 68 | 37.1 Ų | 37.1 | 30% | 0.296 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.5 | -50.4 | 174 | -171.6 | -168.2 | 179.9 | -155.9 | 0 | 110.9 | E59 F69 L70 C71 I75 R76 T77 | E59-K73 PolarHBondContact O-NZ 2.77Å; F69-K73 PolarHBondContact O-N 3.22Å; L70-K73 WeakPolarHBondContact O-CB 3.36Å; L70-K73 PolarHBondContact O-N 3.22Å; C71-K73 VanDerWaalsContact C-N 3.29Å; C71-K73 PolarHBondContact O-N 3.44Å; K73-I75 PolarHBondContact O-N 3.31Å; K73-R76 PolarHBondContact O-N 3.15Å; K73-T77 PolarHBondContact O-N 2.98Å; K73-T77 PolarHBondContact O-OG1 2.77Å; K73-T77 VanDerWaalsContact O-OG1 3.11Å |
| 74 | N | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.6 | -48.2 | 178.4 | -69.7 | -7.4 | 0 | 0 | 0 | 111.7 | D39 V41 I60 N61 L70 C71 R76 T77 F78 | D39-N74 VanDerWaalsContact O-CB 3.25Å; D39-N74 WeakPolarHBondContact O-CB 3.45Å; D39-N74 PolarHBondContact O-ND2 2.9Å; V41-N74 WeakPolarHBondContact CG2-ND2 3.34Å; I60-N74 WeakPolarHBondContact CA-OD1 3.31Å; I60-N74 WeakPolarHBondContact CB-OD1 3.43Å; N61-N74 PolarHBondContact N-OD1 2.91Å; N61-N74 PolarHBondContact O-ND2 2.9Å; L70-N74 PolarHBondContact O-N 2.73Å; C71-N74 PolarHBondContact O-N 2.67Å; N74-R76 VanDerWaalsContact C-N 3.31Å; N74-R76 PolarHBondContact O-N 3.27Å; N74-T77 WeakPolarHBondContact O-CB 3.11Å; N74-T77 PolarHBondContact O-N 3.35Å; N74-T77 VanDerWaalsContact O-N 3.12Å; N74-F78 PolarHBondContact O-N 2.82Å |
| 75 | I | 93.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -42.4 | 178.3 | -62.2 | 164.9 | 0 | 0 | 0 | 111.1 | R38 C71 K73 T77 F78 L79 F94 A96 L99 F100 | R38-I75 WeakPolarHBondContact O-CD1 3.37Å; C71-I75 VanDerWaalsContact O-CG1 3.25Å; C71-I75 WeakPolarHBondContact O-CG1 3.34Å; C71-I75 PolarHBondContact O-N 2.95Å; K73-I75 PolarHBondContact O-N 3.31Å; I75-T77 VanDerWaalsContact C-N 3.34Å; I75-F78 WeakPolarHBondContact O-CB 3.21Å; I75-F78 PolarHBondContact O-N 3.13Å; I75-L79 HydrophobicContact CG2-CD1 4.1Å; I75-L79 HydrophobicContact CG2-CG 4.48Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.2Å; I75-L79 PolarHBondContact O-N 3.15Å; I75-F94 HydrophobicContact CG2-CE2 3.55Å; I75-F94 HydrophobicContact CG2-CZ 4.08Å; I75-A96 HydrophobicContact CB-CB 4.34Å; I75-A96 HydrophobicContact CG2-CB 3.91Å; I75-L99 HydrophobicContact CD1-CB 4.45Å; I75-L99 HydrophobicContact CD1-CD2 4.07Å; I75-L99 HydrophobicContact CD1-CG 4.22Å; I75-L99 HydrophobicContact CG1-CD2 4.04Å; I75-L99 HydrophobicContact CG2-CD2 4.26Å; I75-F100 HydrophobicContact CD1-CB 3.93Å; I75-F100 HydrophobicContact CD1-CD2 4.47Å |
| 76 | R | 91.7 | Very high | 88.9 | Confident | 68 Ų | 68 | 33.6 Ų | 33.6 | 26% | 0.257 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.8 | -38.3 | 176.3 | -73.7 | 175.5 | -171.9 | 120.9 | 8.9 | 112.1 | L72 K73 N74 L79 A80 A96 E439 | L72-R76 WeakPolarHBondContact O-CB 3.24Å; L72-R76 VanDerWaalsContact O-CG 3.25Å; L72-R76 WeakPolarHBondContact O-CG 3.37Å; L72-R76 PolarHBondContact O-N 3.03Å; K73-R76 PolarHBondContact O-N 3.15Å; N74-R76 VanDerWaalsContact C-N 3.31Å; N74-R76 PolarHBondContact O-N 3.27Å; R76-L79 PolarHBondContact O-N 3.41Å; R76-A80 WeakPolarHBondContact O-CB 3.23Å; R76-A80 PolarHBondContact O-N 3.28Å; R76-A96 HydrophobicContact CG-CB 3.95Å; R76-E439 WeakPolarHBondContact CD-OE1 3.33Å; R76-E439 IonicContact CZ-OE1 2.81Å; R76-E439 IonicContact NE-OE1 3.68Å; R76-E439 VanDerWaalsContact NH1-CD 3.34Å; R76-E439 IonicContact NH1-OE1 3.46Å; R76-E439 PolarHBondContact NH1-OE1 2.87Å |
| 77 | T | 91.5 | Very high | 90.3 | Very high | 32 Ų | 32 | 39 Ų | 39 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.6 | -48 | 173.3 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | V55 I60 K73 N74 I75 L79 A80 I81 | V55-T77 HydrophobicContact CG1-CG2 4.04Å; I60-T77 HydrophobicContact CG2-CG2 3.84Å; K73-T77 PolarHBondContact O-N 2.98Å; K73-T77 PolarHBondContact O-OG1 2.77Å; K73-T77 VanDerWaalsContact O-OG1 3.11Å; N74-T77 WeakPolarHBondContact O-CB 3.11Å; N74-T77 PolarHBondContact O-N 3.35Å; N74-T77 VanDerWaalsContact O-N 3.12Å; I75-T77 VanDerWaalsContact C-N 3.34Å; T77-L79 PolarHBondContact O-N 2.71Å; T77-A80 PolarHBondContact O-N 3.22Å; T77-I81 HydrophobicContact CG2-CG1 4.48Å; T77-I81 WeakPolarHBondContact O-CG1 3.28Å; T77-I81 PolarHBondContact O-N 2.87Å |
| 78 | F | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -53.7 | -52.4 | 173.8 | 164.4 | -96.9 | 0 | 0 | 0 | 111.9 | L43 L47 N74 I75 A80 I81 C82 F94 L112 L115 | L43-F78 HydrophobicContact CB-CB 4.23Å; L43-F78 HydrophobicContact CB-CD1 4.38Å; L43-F78 HydrophobicContact CB-CD2 3.61Å; L43-F78 HydrophobicContact CB-CE2 4Å; L43-F78 HydrophobicContact CB-CG 3.81Å; L43-F78 HydrophobicContact CD1-CD1 4.14Å; L43-F78 HydrophobicContact CD1-CE1 4.32Å; L43-F78 HydrophobicContact CD1-CG 4.37Å; L43-F78 HydrophobicContact CD2-CE2 4.34Å; L43-F78 HydrophobicContact CD2-CZ 4.36Å; L43-F78 VanDerWaalsContact O-CD2 3.26Å; L43-F78 WeakPolarHBondContact O-CD2 3.11Å; L47-F78 HydrophobicContact CD1-CD2 3.47Å; L47-F78 VanDerWaalsContact CD1-CD2 3.47Å; L47-F78 HydrophobicContact CD1-CE2 4.01Å; L47-F78 HydrophobicContact CD1-CG 4.32Å; L47-F78 HydrophobicContact CD2-CD2 4.14Å; L47-F78 HydrophobicContact CD2-CE2 3.81Å; L47-F78 HydrophobicContact CG-CD2 3.7Å; L47-F78 HydrophobicContact CG-CE2 3.87Å; N74-F78 PolarHBondContact O-N 2.82Å; I75-F78 WeakPolarHBondContact O-CB 3.21Å; I75-F78 PolarHBondContact O-N 3.13Å; F78-A80 VanDerWaalsContact C-N 3.33Å; F78-A80 PolarHBondContact O-N 3.11Å; F78-I81 PolarHBondContact O-N 3.07Å; F78-C82 WeakPolarHBondContact CE2-SG 3.23Å; F78-C82 WeakPolarHBondContact CZ-SG 3.5Å; F78-C82 PolarHBondContact O-N 3.13Å; F78-C82 PolarHBondContact O-SG 3.28Å; F78-C82 VanDerWaalsContact O-SG 3.41Å; F78-F94 HydrophobicContact CD1-CE1 4.24Å; F78-F94 HydrophobicContact CD1-CZ 4.01Å; F78-F94 AromaticContact CE1-CE1 3.63Å; F78-F94 HydrophobicContact CE1-CE1 3.63Å; F78-F94 AromaticContact CE1-CZ 3.86Å; F78-F94 HydrophobicContact CE1-CZ 3.86Å; F78-L112 HydrophobicContact CZ-CD2 4.08Å; F78-L115 HydrophobicContact CE2-CD2 4.22Å; F78-L115 HydrophobicContact CZ-CD2 4.32Å |
| 79 | L | 95.8 | Very high | 91.3 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -40.8 | -178.8 | -67.7 | 169.9 | 0 | 0 | 0 | 112.4 | I75 R76 T77 C82 Q83 L93 F94 | I75-L79 HydrophobicContact CG2-CD1 4.1Å; I75-L79 HydrophobicContact CG2-CG 4.48Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.2Å; I75-L79 PolarHBondContact O-N 3.15Å; R76-L79 PolarHBondContact O-N 3.41Å; T77-L79 PolarHBondContact O-N 2.71Å; L79-C82 PolarHBondContact O-N 2.87Å; L79-Q83 PolarHBondContact O-N 3.22Å; L79-L93 HydrophobicContact CD2-CB 4.22Å; L79-L93 HydrophobicContact CD2-CD2 4.27Å; L79-F94 HydrophobicContact CD1-CD2 4.35Å; L79-F94 HydrophobicContact CD1-CE2 4.2Å; L79-F94 WeakPolarHBondContact CD1-O 3.34Å; L79-F94 HydrophobicContact CD2-CD1 3.89Å; L79-F94 HydrophobicContact CD2-CD2 4.16Å; L79-F94 HydrophobicContact CD2-CE1 3.78Å; L79-F94 HydrophobicContact CD2-CE2 4.04Å; L79-F94 HydrophobicContact CD2-CG 4.08Å; L79-F94 HydrophobicContact CD2-CZ 3.84Å; L79-F94 WeakPolarHBondContact CD2-O 3.45Å; L79-F94 HydrophobicContact CG-CE2 4.35Å; L79-F94 HydrophobicContact CG-CZ 4.35Å |
| 80 | A | 93.1 | Very high | 91.7 | Very high | 49 Ų | 49 | 52.7 Ų | 52.7 | 41% | 0.405 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63 | -45.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R76 T77 F78 Q83 E84 | R76-A80 WeakPolarHBondContact O-CB 3.23Å; R76-A80 PolarHBondContact O-N 3.28Å; T77-A80 PolarHBondContact O-N 3.22Å; F78-A80 VanDerWaalsContact C-N 3.33Å; F78-A80 PolarHBondContact O-N 3.11Å; A80-Q83 WeakPolarHBondContact O-CB 3.26Å; A80-Q83 PolarHBondContact O-N 3.3Å; A80-E84 WeakPolarHBondContact O-CB 3.41Å; A80-E84 PolarHBondContact O-N 3.3Å |
| 81 | I | 94.2 | Very high | 92.1 | Very high | 22 Ų | 22 | 59.4 Ų | 59.4 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.6 | -35.4 | 179.6 | -61.7 | -62.3 | 0 | 0 | 0 | 111.8 | L47 A54 V55 T77 F78 Q83 E84 K85 F86 | L47-I81 HydrophobicContact CD1-CB 3.81Å; L47-I81 HydrophobicContact CD1-CG2 3.73Å; A54-I81 HydrophobicContact CB-CG2 4.18Å; V55-I81 HydrophobicContact CG2-CB 4.39Å; V55-I81 HydrophobicContact CG2-CG1 4.17Å; V55-I81 HydrophobicContact CG2-CG2 4.21Å; T77-I81 HydrophobicContact CG2-CG1 4.48Å; T77-I81 WeakPolarHBondContact O-CG1 3.28Å; T77-I81 PolarHBondContact O-N 2.87Å; F78-I81 PolarHBondContact O-N 3.07Å; I81-Q83 PolarHBondContact O-N 2.75Å; I81-E84 PolarHBondContact O-N 2.88Å; I81-K85 HydrophobicContact CG2-CB 4.13Å; I81-K85 HydrophobicContact CG2-CD 4.04Å; I81-K85 HydrophobicContact CG2-CG 4.2Å; I81-K85 PolarHBondContact O-N 2.92Å; I81-F86 HydrophobicContact CG2-CD2 4.47Å; I81-F86 HydrophobicContact CG2-CE2 4.37Å; I81-F86 PolarHBondContact O-N 3.06Å |
| 82 | C | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.7 | -39.5 | 170.5 | -76.5 | 0 | 0 | 0 | 0 | 112 | F78 L79 F86 Y87 L88 L93 | F78-C82 WeakPolarHBondContact CE2-SG 3.23Å; F78-C82 WeakPolarHBondContact CZ-SG 3.5Å; F78-C82 PolarHBondContact O-N 3.13Å; F78-C82 PolarHBondContact O-SG 3.28Å; F78-C82 VanDerWaalsContact O-SG 3.41Å; L79-C82 PolarHBondContact O-N 2.87Å; C82-F86 CarbonylContact O-C 3.49Å; C82-F86 WeakPolarHBondContact O-CB 3.42Å; C82-F86 PolarHBondContact O-N 3.07Å; C82-Y87 PolarHBondContact O-N 3.34Å; C82-Y87 VanDerWaalsContact O-N 3.12Å; C82-L88 HydrophobicContact CB-CD2 4.29Å; C82-L88 PolarHBondContact O-N 3.11Å; C82-L88 VanDerWaalsContact O-N 3.09Å; C82-L93 HydrophobicContact CB-CD2 3.9Å |
| 83 | Q | 93.9 | Very high | 92.5 | Very high | 101 Ų | 101 | 61.4 Ų | 61.4 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -73 | -44.8 | 176.8 | -168.7 | 176.9 | -1 | 0 | 0 | 112.2 | L79 A80 I81 Y87 L93 | L79-Q83 PolarHBondContact O-N 3.22Å; A80-Q83 WeakPolarHBondContact O-CB 3.26Å; A80-Q83 PolarHBondContact O-N 3.3Å; I81-Q83 PolarHBondContact O-N 2.75Å; Q83-Y87 WeakPolarHBondContact O-CA 3.37Å; Q83-L93 HydrophobicContact CB-CD1 4.07Å |
| 84 | E | 92.7 | Very high | 93 | Very high | 128 Ų | 128 | 58.4 Ų | 58.4 | 60% | 0.598 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -77.2 | -48.5 | -172.3 | -173.1 | -176.3 | 167.8 | 0 | 0 | 113.3 | A80 I81 | A80-E84 WeakPolarHBondContact O-CB 3.41Å; A80-E84 PolarHBondContact O-N 3.3Å; I81-E84 PolarHBondContact O-N 2.88Å |
| 85 | K | 91.8 | Very high | 93.1 | Very high | 72 Ų | 72 | 64.4 Ų | 64.4 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -27.5 | -171.5 | -65 | -169.8 | 178.1 | 174.8 | 0 | 113.8 | L51 Q53 A54 I81 Y87 | L51-K85 HydrophobicContact CD2-CB 4.09Å; L51-K85 HydrophobicContact CD2-CD 4.21Å; Q53-K85 PolarHBondContact O-NZ 2.6Å; A54-K85 HydrophobicContact CB-CD 4.26Å; A54-K85 WeakPolarHBondContact O-CE 3.39Å; A54-K85 PolarHBondContact O-NZ 3.44Å; I81-K85 HydrophobicContact CG2-CB 4.13Å; I81-K85 HydrophobicContact CG2-CD 4.04Å; I81-K85 HydrophobicContact CG2-CG 4.2Å; I81-K85 PolarHBondContact O-N 2.92Å; K85-Y87 WeakPolarHBondContact O-CE2 3.44Å |
| 86 | F | 92.9 | Very high | 93 | Very high | 13 Ų | 13 | 64.8 Ų | 64.8 | 6% | 0.057 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -104.1 | -3.4 | 179.1 | -66 | -101 | 0 | 0 | 0 | 113.1 | L47 L50 L51 A54 I81 C82 L88 L115 V120 | L47-F86 HydrophobicContact CB-CE2 4.06Å; L47-F86 HydrophobicContact CB-CZ 4.31Å; L47-F86 HydrophobicContact CD2-CD2 4.02Å; L47-F86 HydrophobicContact CD2-CE2 3.65Å; L47-F86 HydrophobicContact CD2-CZ 3.91Å; L47-F86 HydrophobicContact CG-CE2 4.3Å; L50-F86 HydrophobicContact CB-CE1 3.89Å; L50-F86 HydrophobicContact CB-CZ 3.99Å; L50-F86 HydrophobicContact CD1-CE1 4.14Å; L51-F86 HydrophobicContact CB-CE1 4.37Å; L51-F86 HydrophobicContact CB-CE2 4.28Å; L51-F86 HydrophobicContact CB-CZ 3.67Å; L51-F86 HydrophobicContact CD2-CE2 4.36Å; L51-F86 HydrophobicContact CD2-CZ 4.45Å; A54-F86 HydrophobicContact CB-CE2 4.15Å; I81-F86 HydrophobicContact CG2-CD2 4.47Å; I81-F86 HydrophobicContact CG2-CE2 4.37Å; I81-F86 PolarHBondContact O-N 3.06Å; C82-F86 CarbonylContact O-C 3.49Å; C82-F86 WeakPolarHBondContact O-CB 3.42Å; C82-F86 PolarHBondContact O-N 3.07Å; F86-L88 HydrophobicContact CB-CD1 3.64Å; F86-L88 WeakPolarHBondContact O-CD1 3.24Å; F86-L88 PolarHBondContact O-N 3.17Å; F86-L115 HydrophobicContact CB-CD1 4.04Å; F86-L115 HydrophobicContact CD1-CD1 3.57Å; F86-L115 HydrophobicContact CE1-CD1 4.17Å; F86-L115 HydrophobicContact CG-CD1 3.86Å; F86-V120 HydrophobicContact CD1-CB 4.28Å; F86-V120 HydrophobicContact CD1-CG2 4.35Å; F86-V120 HydrophobicContact CE1-CB 4.04Å; F86-V120 HydrophobicContact CE1-CG1 3.93Å; F86-V120 HydrophobicContact CE1-CG2 4.4Å |
| 87 | Y | 91.8 | Very high | 92.7 | Very high | 192 Ų | 192 | 63.2 Ų | 63.2 | 75% | 0.753 | 30% | 0.302 | S | S | * | . | trans | 58.1 | 29.5 | 174.3 | -51.4 | -78.9 | 0 | 0 | 0 | 114.9 | C82 Q83 K85 | C82-Y87 PolarHBondContact O-N 3.34Å; C82-Y87 VanDerWaalsContact O-N 3.12Å; Q83-Y87 WeakPolarHBondContact O-CA 3.37Å; K85-Y87 WeakPolarHBondContact O-CE2 3.44Å | ||
| 88 | L | 94.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 63.1 Ų | 63.1 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | trans | -66.9 | 140.7 | 172.5 | -84.5 | 67.4 | 0 | 0 | 0 | 109.9 | C82 F86 L93 T111 I114 L115 | C82-L88 HydrophobicContact CB-CD2 4.29Å; C82-L88 PolarHBondContact O-N 3.11Å; C82-L88 VanDerWaalsContact O-N 3.09Å; F86-L88 HydrophobicContact CB-CD1 3.64Å; F86-L88 WeakPolarHBondContact O-CD1 3.24Å; F86-L88 PolarHBondContact O-N 3.17Å; L88-L93 HydrophobicContact CB-CD2 3.9Å; L88-L93 HydrophobicContact CB-CG 4.4Å; L88-L93 HydrophobicContact CD2-CD2 3.79Å; L88-T111 HydrophobicContact CD2-CG2 4.12Å; L88-I114 HydrophobicContact CD2-CG2 4.19Å; L88-I114 HydrophobicContact CG-CG2 4.09Å; L88-L115 HydrophobicContact CD1-CD1 4.09Å; L88-L115 HydrophobicContact CD2-CB 4.46Å | ||
| 89 | K | 92.3 | Very high | 92.5 | Very high | 150 Ų | 150 | 63.1 Ų | 63.1 | 65% | 0.652 | 30% | 0.299 | S | S | * | . | trans | -74.6 | 147.8 | 177.4 | -56.9 | 173.2 | -177 | 166.1 | 0 | 109.3 | N91 D92 | K89-N91 PolarHBondContact O-N 2.92Å; K89-N91 VanDerWaalsContact O-N 3.08Å; K89-D92 WeakPolarHBondContact CB-OD2 3.41Å; K89-D92 WeakPolarHBondContact O-CA 3.48Å; K89-D92 WeakPolarHBondContact O-CB 3.4Å; K89-D92 PolarHBondContact O-N 2.93Å | ||
| 90 | K | 90.2 | Very high | 92.2 | Very high | 157 Ų | 157 | 63 Ų | 63 | 68% | 0.683 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -54.7 | -32.6 | 178.2 | -171.4 | 175.3 | 179.8 | 179.2 | 0 | 113.9 | D92 L93 | K90-D92 VanDerWaalsContact C-N 3.26Å; K90-D92 PolarHBondContact O-N 3.3Å; K90-L93 PolarHBondContact O-N 3.29Å |
| 91 | N | 91.3 | Very high | 91.7 | Very high | 147 Ų | 147 | 61.8 Ų | 61.8 | 79% | 0.786 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -73.9 | -18.1 | 178.6 | -65.6 | -7.4 | 0 | 0 | 0 | 113.3 | K89 L93 | K89-N91 PolarHBondContact O-N 2.92Å; K89-N91 VanDerWaalsContact O-N 3.08Å; N91-L93 VanDerWaalsContact C-N 3.35Å |
| 92 | D | 91.5 | Very high | 91.3 | Very high | 47 Ų | 47 | 61 Ų | 61 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -91.6 | -5.2 | -179.6 | -58.8 | -24.7 | 0 | 0 | 0 | 111.4 | K89 K90 T111 I114 | K89-D92 WeakPolarHBondContact CB-OD2 3.41Å; K89-D92 WeakPolarHBondContact O-CA 3.48Å; K89-D92 WeakPolarHBondContact O-CB 3.4Å; K89-D92 PolarHBondContact O-N 2.93Å; K90-D92 VanDerWaalsContact C-N 3.26Å; K90-D92 PolarHBondContact O-N 3.3Å; D92-T111 PolarHBondContact O-OG1 3.28Å; D92-I114 HydrophobicContact CB-CD1 3.66Å |
| 93 | L | 93.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 68.4 Ų | 68.4 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -98.7 | 141.2 | -179 | -64 | 178.3 | 0 | 0 | 0 | 111.3 | L79 C82 Q83 L88 K90 N91 K107 T111 | L79-L93 HydrophobicContact CD2-CB 4.22Å; L79-L93 HydrophobicContact CD2-CD2 4.27Å; C82-L93 HydrophobicContact CB-CD2 3.9Å; Q83-L93 HydrophobicContact CB-CD1 4.07Å; L88-L93 HydrophobicContact CB-CD2 3.9Å; L88-L93 HydrophobicContact CB-CG 4.4Å; L88-L93 HydrophobicContact CD2-CD2 3.79Å; K90-L93 PolarHBondContact O-N 3.29Å; N91-L93 VanDerWaalsContact C-N 3.35Å; L93-K107 VanDerWaalsContact O-CE 3.22Å; L93-K107 WeakPolarHBondContact O-CE 3.44Å; L93-T111 HydrophobicContact CD2-CG2 3.78Å |
| 94 | F | 95.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 67.1 Ų | 67.1 | 2% | 0.022 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 161 | 168.3 | 68.8 | -93.6 | 0 | 0 | 0 | 111.9 | L43 I75 F78 L79 E98 L99 K107 V108 T111 | L43-F94 HydrophobicContact CD1-CZ 4.14Å; I75-F94 HydrophobicContact CG2-CE2 3.55Å; I75-F94 HydrophobicContact CG2-CZ 4.08Å; F78-F94 HydrophobicContact CD1-CE1 4.24Å; F78-F94 HydrophobicContact CD1-CZ 4.01Å; F78-F94 AromaticContact CE1-CE1 3.63Å; F78-F94 HydrophobicContact CE1-CE1 3.63Å; F78-F94 AromaticContact CE1-CZ 3.86Å; F78-F94 HydrophobicContact CE1-CZ 3.86Å; L79-F94 HydrophobicContact CD1-CD2 4.35Å; L79-F94 HydrophobicContact CD1-CE2 4.2Å; L79-F94 WeakPolarHBondContact CD1-O 3.34Å; L79-F94 HydrophobicContact CD2-CD1 3.89Å; L79-F94 HydrophobicContact CD2-CD2 4.16Å; L79-F94 HydrophobicContact CD2-CE1 3.78Å; L79-F94 HydrophobicContact CD2-CE2 4.04Å; L79-F94 HydrophobicContact CD2-CG 4.08Å; L79-F94 HydrophobicContact CD2-CZ 3.84Å; L79-F94 WeakPolarHBondContact CD2-O 3.45Å; L79-F94 HydrophobicContact CG-CE2 4.35Å; L79-F94 HydrophobicContact CG-CZ 4.35Å; F94-E98 WeakPolarHBondContact CA-OE2 3.29Å; F94-E98 HydrophobicContact CB-CB 4.32Å; F94-E98 WeakPolarHBondContact CB-OE2 3.4Å; F94-L99 HydrophobicContact CD2-CB 4.06Å; F94-L99 HydrophobicContact CE2-CB 3.57Å; F94-L99 HydrophobicContact CE2-CD2 3.85Å; F94-L99 HydrophobicContact CE2-CG 4.4Å; F94-L99 HydrophobicContact CZ-CB 4.28Å; F94-L99 HydrophobicContact CZ-CD2 3.82Å; F94-K107 HydrophobicContact CB-CB 4.44Å; F94-K107 HydrophobicContact CB-CG 4.05Å; F94-V108 HydrophobicContact CB-CG2 4.21Å; F94-V108 HydrophobicContact CD1-CB 4.22Å; F94-V108 HydrophobicContact CD1-CG1 4.21Å; F94-V108 HydrophobicContact CD1-CG2 4.06Å; F94-V108 HydrophobicContact CD2-CG2 3.95Å; F94-V108 HydrophobicContact CE1-CB 4.45Å; F94-V108 HydrophobicContact CE1-CG1 3.95Å; F94-V108 HydrophobicContact CE1-CG2 4.39Å; F94-V108 HydrophobicContact CE2-CG2 4.31Å; F94-V108 HydrophobicContact CG-CB 4.47Å; F94-V108 HydrophobicContact CG-CG2 3.84Å; F94-V108 HydrophobicContact CZ-CG1 4.32Å; F94-T111 HydrophobicContact CD1-CG2 3.98Å; F94-T111 HydrophobicContact CE1-CG2 4.22Å; F94-T111 PolarHBondContact N-OG1 3.49Å |
| 95 | E | 92.7 | Very high | 90.4 | Very high | 126 Ų | 126 | 61.1 Ų | 61.1 | 59% | 0.589 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -90.2 | 147.3 | 170.1 | -62.3 | -165.9 | 168.1 | 0 | 0 | 110.6 | F97 E98 | E95-F97 PolarHBondContact O-N 3.25Å; E95-E98 HydrophobicContact CB-CG 4.12Å; E95-E98 PolarHBondContact N-OE2 2.98Å; E95-E98 WeakPolarHBondContact O-CA 3.48Å; E95-E98 VanDerWaalsContact O-CB 3.26Å; E95-E98 WeakPolarHBondContact O-CB 3.47Å; E95-E98 PolarHBondContact O-N 3.29Å |
| 96 | A | 90.3 | Very high | 90.3 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -52.9 | -33.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L72 I75 R76 F100 | L72-A96 HydrophobicContact CD2-CB 3.88Å; I75-A96 HydrophobicContact CB-CB 4.34Å; I75-A96 HydrophobicContact CG2-CB 3.91Å; R76-A96 HydrophobicContact CG-CB 3.95Å; A96-F100 WeakPolarHBondContact O-CB 3.48Å; A96-F100 PolarHBondContact O-N 2.95Å |
| 97 | F | 86.8 | Confident | 90.2 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 16% | 0.158 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -75.5 | -20.3 | 177.1 | -64.7 | -78 | 0 | 0 | 0 | 113.9 | L72 E95 L99 D101 | L72-F97 HydrophobicContact CD1-CD1 4.48Å; L72-F97 HydrophobicContact CD1-CE1 3.59Å; L72-F97 HydrophobicContact CD1-CZ 3.75Å; L72-F97 HydrophobicContact CD2-CD1 4.06Å; L72-F97 HydrophobicContact CD2-CE1 3.92Å; L72-F97 HydrophobicContact CD2-CG 4.5Å; L72-F97 HydrophobicContact CD2-CZ 4.24Å; L72-F97 HydrophobicContact CG-CE1 4.43Å; E95-F97 PolarHBondContact O-N 3.25Å; F97-L99 PolarHBondContact O-N 2.97Å; F97-D101 WeakPolarHBondContact O-CB 3.43Å; F97-D101 PolarHBondContact O-N 2.92Å; F97-D101 VanDerWaalsContact O-N 3.11Å |
| 98 | E | 90.3 | Very high | 90.3 | Very high | 29 Ų | 29 | 51.2 Ų | 51.2 | 14% | 0.136 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.3 | -30.2 | 175.9 | -66.2 | 173.5 | 163.7 | 0 | 0 | 111.3 | F94 E95 V102 R103 D104 K107 | F94-E98 WeakPolarHBondContact CA-OE2 3.29Å; F94-E98 HydrophobicContact CB-CB 4.32Å; F94-E98 WeakPolarHBondContact CB-OE2 3.4Å; E95-E98 HydrophobicContact CB-CG 4.12Å; E95-E98 PolarHBondContact N-OE2 2.98Å; E95-E98 WeakPolarHBondContact O-CA 3.48Å; E95-E98 VanDerWaalsContact O-CB 3.26Å; E95-E98 WeakPolarHBondContact O-CB 3.47Å; E95-E98 PolarHBondContact O-N 3.29Å; E98-V102 CarbonylContact O-C 3.35Å; E98-V102 VanDerWaalsContact O-CA 3.22Å; E98-V102 WeakPolarHBondContact O-CA 3.21Å; E98-R103 PolarHBondContact O-N 2.83Å; E98-D104 HydrophobicContact CB-CB 4.25Å; E98-D104 HydrophobicContact CG-CB 4.14Å; E98-D104 PolarHBondContact O-N 3.21Å; E98-K107 IonicContact OE1-NZ 2.8Å; E98-K107 PolarHBondContact OE1-NZ 3.31Å; E98-K107 VanDerWaalsContact OE2-CD 3.26Å; E98-K107 WeakPolarHBondContact OE2-CD 3.48Å; E98-K107 WeakPolarHBondContact OE2-CE 3.43Å; E98-K107 IonicContact OE2-NZ 2.81Å; E98-K107 PolarHBondContact OE2-NZ 3.07Å |
| 99 | L | 92.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -88.4 | -53.7 | 169.7 | 175.7 | 55.7 | 0 | 0 | 0 | 112.3 | L37 L43 I75 F94 F97 D101 V102 F105 V108 | L37-L99 HydrophobicContact CB-CD1 4.25Å; L43-L99 HydrophobicContact CD1-CD2 3.38Å; I75-L99 HydrophobicContact CD1-CB 4.45Å; I75-L99 HydrophobicContact CD1-CD2 4.07Å; I75-L99 HydrophobicContact CD1-CG 4.22Å; I75-L99 HydrophobicContact CG1-CD2 4.04Å; I75-L99 HydrophobicContact CG2-CD2 4.26Å; F94-L99 HydrophobicContact CD2-CB 4.06Å; F94-L99 HydrophobicContact CE2-CB 3.57Å; F94-L99 HydrophobicContact CE2-CD2 3.85Å; F94-L99 HydrophobicContact CE2-CG 4.4Å; F94-L99 HydrophobicContact CZ-CB 4.28Å; F94-L99 HydrophobicContact CZ-CD2 3.82Å; F97-L99 PolarHBondContact O-N 2.97Å; L99-D101 PolarHBondContact O-N 3.39Å; L99-V102 WeakPolarHBondContact O-CG1 3.4Å; L99-V102 PolarHBondContact O-N 2.92Å; L99-F105 HydrophobicContact CD1-CD2 4.25Å; L99-F105 HydrophobicContact CD1-CE2 3.8Å; L99-V108 HydrophobicContact CB-CG2 3.83Å; L99-V108 HydrophobicContact CD1-CG1 4.25Å; L99-V108 HydrophobicContact CD1-CG2 4.31Å |
| 100 | F | 88.8 | Confident | 90.2 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.9 | -43.3 | -170.1 | -177.6 | -92.4 | 0 | 0 | 0 | 113.6 | R38 Q68 C71 L72 I75 A96 V102 | R38-F100 HydrophobicContact CG-CD2 4.4Å; R38-F100 PolarHBondContact NE-O 3.14Å; Q68-F100 HydrophobicContact CB-CE1 4.01Å; Q68-F100 HydrophobicContact CB-CE2 4.35Å; Q68-F100 HydrophobicContact CB-CZ 3.56Å; Q68-F100 VanDerWaalsContact CD-CE1 3.46Å; Q68-F100 HydrophobicContact CG-CD1 4.19Å; Q68-F100 HydrophobicContact CG-CE1 3.41Å; Q68-F100 VanDerWaalsContact CG-CE1 3.41Å; Q68-F100 HydrophobicContact CG-CE2 4.27Å; Q68-F100 HydrophobicContact CG-CZ 3.46Å; Q68-F100 VanDerWaalsContact CG-CZ 3.46Å; C71-F100 HydrophobicContact CB-CD2 3.63Å; C71-F100 HydrophobicContact CB-CE2 3.48Å; C71-F100 VanDerWaalsContact CB-CE2 3.48Å; L72-F100 HydrophobicContact CD2-CB 3.68Å; L72-F100 HydrophobicContact CD2-CD1 4.33Å; L72-F100 HydrophobicContact CD2-CD2 4.49Å; L72-F100 HydrophobicContact CD2-CG 3.9Å; L72-F100 HydrophobicContact CG-CG 4.28Å; I75-F100 HydrophobicContact CD1-CB 3.93Å; I75-F100 HydrophobicContact CD1-CD2 4.47Å; A96-F100 WeakPolarHBondContact O-CB 3.48Å; A96-F100 PolarHBondContact O-N 2.95Å; F100-V102 VanDerWaalsContact C-N 3.35Å |
| 101 | D | 83.4 | Confident | 90.4 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 12% | 0.123 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 2.4 | 175.7 | -68.2 | -21.9 | 0 | 0 | 0 | 112.1 | F97 L99 R103 S145 | F97-D101 WeakPolarHBondContact O-CB 3.43Å; F97-D101 PolarHBondContact O-N 2.92Å; F97-D101 VanDerWaalsContact O-N 3.11Å; L99-D101 PolarHBondContact O-N 3.39Å; D101-R103 HydrophobicContact CB-CG 3.81Å; D101-R103 PolarHBondContact O-N 3.18Å; D101-R103 IonicContact OD2-CZ 2.81Å; D101-R103 VanDerWaalsContact OD2-CZ 3.31Å; D101-R103 IonicContact OD2-NE 2.56Å; D101-R103 PolarHBondContact OD2-NE 3.37Å; D101-R103 IonicContact OD2-NH2 3.62Å; D101-R103 PolarHBondContact OD2-NH2 2.91Å; D101-S145 PolarHBondContact O-OG 2.84Å |
| 102 | V | 86.6 | Confident | 90.7 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | trans | 44.8 | 45.4 | -171.5 | -64 | 0 | 0 | 0 | 0 | 113.2 | A34 E98 L99 F100 D104 F105 L144 S145 I148 | A34-V102 HydrophobicContact CB-CG1 3.91Å; E98-V102 CarbonylContact O-C 3.35Å; E98-V102 VanDerWaalsContact O-CA 3.22Å; E98-V102 WeakPolarHBondContact O-CA 3.21Å; L99-V102 WeakPolarHBondContact O-CG1 3.4Å; L99-V102 PolarHBondContact O-N 2.92Å; F100-V102 VanDerWaalsContact C-N 3.35Å; V102-D104 VanDerWaalsContact C-N 3.35Å; V102-F105 HydrophobicContact CG1-CD2 4.2Å; V102-L144 HydrophobicContact CB-CB 4.23Å; V102-L144 VanDerWaalsContact CG2-C 3.45Å; V102-L144 HydrophobicContact CG2-CB 3.86Å; V102-S145 VanDerWaalsContact CG2-CA 3.45Å; V102-I148 HydrophobicContact CG1-CD1 3.76Å; V102-I148 HydrophobicContact CG1-CG1 3.96Å; V102-I148 HydrophobicContact CG2-CB 3.73Å; V102-I148 HydrophobicContact CG2-CD1 4.34Å; V102-I148 HydrophobicContact CG2-CG1 3.95Å; V102-I148 HydrophobicContact CG2-CG2 3.93Å | ||
| 103 | R | 84.4 | Confident | 90.8 | Very high | 156 Ų | 156 | 31.3 Ų | 31.3 | 59% | 0.589 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -69.7 | -33.4 | -179.9 | -64.1 | 177.1 | -171.1 | -163.4 | 1 | 112.6 | E98 D101 | E98-R103 PolarHBondContact O-N 2.83Å; D101-R103 HydrophobicContact CB-CG 3.81Å; D101-R103 PolarHBondContact O-N 3.18Å; D101-R103 IonicContact OD2-CZ 2.81Å; D101-R103 VanDerWaalsContact OD2-CZ 3.31Å; D101-R103 IonicContact OD2-NE 2.56Å; D101-R103 PolarHBondContact OD2-NE 3.37Å; D101-R103 IonicContact OD2-NH2 3.62Å; D101-R103 PolarHBondContact OD2-NH2 2.91Å |
| 104 | D | 85.8 | Confident | 90.8 | Very high | 74 Ų | 74 | 33 Ų | 33 | 40% | 0.396 | 16% | 0.159 | S | C | . | . | trans | -150.3 | 78.5 | 178.9 | -170.3 | -18.4 | 0 | 0 | 0 | 109 | E98 V102 G106 K107 | E98-D104 HydrophobicContact CB-CB 4.25Å; E98-D104 HydrophobicContact CG-CB 4.14Å; E98-D104 PolarHBondContact O-N 3.21Å; V102-D104 VanDerWaalsContact C-N 3.35Å; D104-G106 VanDerWaalsContact C-N 3.25Å; D104-G106 PolarHBondContact O-N 3.11Å; D104-G106 PolarHBondContact OD1-N 3.04Å; D104-K107 HydrophobicContact CB-CB 4.36Å; D104-K107 PolarHBondContact O-N 3.46Å; D104-K107 PolarHBondContact OD1-N 3.16Å | ||
| 105 | F | 90.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.9 | -26.3 | 179.9 | -161.5 | -110 | 0 | 0 | 0 | 111.9 | V30 L33 A34 L99 V102 K107 V108 M109 Y141 L144 | V30-F105 HydrophobicContact CG2-CD1 3.82Å; V30-F105 HydrophobicContact CG2-CE1 3.74Å; L33-F105 HydrophobicContact CG-CZ 4.38Å; A34-F105 HydrophobicContact CB-CD2 3.92Å; A34-F105 HydrophobicContact CB-CE1 4.19Å; A34-F105 HydrophobicContact CB-CE2 3.48Å; A34-F105 VanDerWaalsContact CB-CE2 3.48Å; A34-F105 HydrophobicContact CB-CG 4.45Å; A34-F105 HydrophobicContact CB-CZ 3.63Å; L99-F105 HydrophobicContact CD1-CD2 4.25Å; L99-F105 HydrophobicContact CD1-CE2 3.8Å; V102-F105 HydrophobicContact CG1-CD2 4.2Å; F105-K107 VanDerWaalsContact C-N 3.28Å; F105-K107 PolarHBondContact O-N 3.24Å; F105-V108 HydrophobicContact CD2-CB 4.24Å; F105-V108 HydrophobicContact CD2-CG2 4.24Å; F105-V108 HydrophobicContact CE2-CB 4.41Å; F105-V108 HydrophobicContact CE2-CG1 4.32Å; F105-V108 WeakPolarHBondContact O-CB 3.21Å; F105-V108 PolarHBondContact O-N 3.42Å; F105-V108 VanDerWaalsContact O-N 3.09Å; F105-M109 HydrophobicContact CD1-CG 4.08Å; F105-M109 HydrophobicContact CD1-SD 4.06Å; F105-M109 HydrophobicContact CE1-CG 4.12Å; F105-M109 HydrophobicContact CE1-SD 3.49Å; F105-M109 WeakPolarHBondContact CE1-SD 3.49Å; F105-M109 HydrophobicContact CZ-SD 4.02Å; F105-M109 WeakPolarHBondContact O-CG 3.38Å; F105-M109 PolarHBondContact O-N 2.94Å; F105-Y141 HydrophobicContact CB-CD1 4.15Å; F105-Y141 HydrophobicContact CB-CG 4.42Å; F105-Y141 AromaticContact CD1-CD1 3.88Å; F105-Y141 HydrophobicContact CD1-CD1 3.88Å; F105-Y141 AromaticContact CD1-CE1 3.96Å; F105-Y141 HydrophobicContact CD1-CE1 3.96Å; F105-L144 HydrophobicContact CB-CD1 3.94Å; F105-L144 HydrophobicContact CD1-CD1 4.29Å; F105-L144 HydrophobicContact CG-CD1 4.24Å |
| 106 | G | 89.8 | Confident | 90.9 | Very high | 13 Ų | 13 | 26.8 Ų | 26.8 | 13% | 0.134 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.9 | -39.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D104 V108 M109 N110 | D104-G106 VanDerWaalsContact C-N 3.25Å; D104-G106 PolarHBondContact O-N 3.11Å; D104-G106 PolarHBondContact OD1-N 3.04Å; G106-V108 PolarHBondContact O-N 3.08Å; G106-M109 WeakPolarHBondContact O-CB 3.24Å; G106-M109 PolarHBondContact O-N 3.37Å; G106-N110 PolarHBondContact O-N 3.15Å |
| 107 | K | 90.7 | Very high | 91.1 | Very high | 57 Ų | 57 | 30.9 Ų | 30.9 | 25% | 0.248 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.3 | -35.3 | 174.7 | -165.5 | 166 | 163.3 | -140.8 | 0 | 113.2 | L93 F94 E98 D104 F105 N110 T111 | L93-K107 VanDerWaalsContact O-CE 3.22Å; L93-K107 WeakPolarHBondContact O-CE 3.44Å; F94-K107 HydrophobicContact CB-CB 4.44Å; F94-K107 HydrophobicContact CB-CG 4.05Å; E98-K107 IonicContact OE1-NZ 2.8Å; E98-K107 PolarHBondContact OE1-NZ 3.31Å; E98-K107 VanDerWaalsContact OE2-CD 3.26Å; E98-K107 WeakPolarHBondContact OE2-CD 3.48Å; E98-K107 WeakPolarHBondContact OE2-CE 3.43Å; E98-K107 IonicContact OE2-NZ 2.81Å; E98-K107 PolarHBondContact OE2-NZ 3.07Å; D104-K107 HydrophobicContact CB-CB 4.36Å; D104-K107 PolarHBondContact O-N 3.46Å; D104-K107 PolarHBondContact OD1-N 3.16Å; F105-K107 VanDerWaalsContact C-N 3.28Å; F105-K107 PolarHBondContact O-N 3.24Å; K107-N110 PolarHBondContact O-N 2.87Å; K107-T111 PolarHBondContact O-N 2.89Å; K107-T111 PolarHBondContact O-OG1 3.47Å |
| 108 | V | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 171.2 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | F94 L99 F105 G106 N110 T111 L112 | F94-V108 HydrophobicContact CB-CG2 4.21Å; F94-V108 HydrophobicContact CD1-CB 4.22Å; F94-V108 HydrophobicContact CD1-CG1 4.21Å; F94-V108 HydrophobicContact CD1-CG2 4.06Å; F94-V108 HydrophobicContact CD2-CG2 3.95Å; F94-V108 HydrophobicContact CE1-CB 4.45Å; F94-V108 HydrophobicContact CE1-CG1 3.95Å; F94-V108 HydrophobicContact CE1-CG2 4.39Å; F94-V108 HydrophobicContact CE2-CG2 4.31Å; F94-V108 HydrophobicContact CG-CB 4.47Å; F94-V108 HydrophobicContact CG-CG2 3.84Å; F94-V108 HydrophobicContact CZ-CG1 4.32Å; L99-V108 HydrophobicContact CB-CG2 3.83Å; L99-V108 HydrophobicContact CD1-CG1 4.25Å; L99-V108 HydrophobicContact CD1-CG2 4.31Å; F105-V108 HydrophobicContact CD2-CB 4.24Å; F105-V108 HydrophobicContact CD2-CG2 4.24Å; F105-V108 HydrophobicContact CE2-CB 4.41Å; F105-V108 HydrophobicContact CE2-CG1 4.32Å; F105-V108 WeakPolarHBondContact O-CB 3.21Å; F105-V108 PolarHBondContact O-N 3.42Å; F105-V108 VanDerWaalsContact O-N 3.09Å; G106-V108 PolarHBondContact O-N 3.08Å; V108-N110 VanDerWaalsContact C-N 3.3Å; V108-N110 PolarHBondContact O-N 3.06Å; V108-T111 PolarHBondContact O-N 3.33Å; V108-L112 HydrophobicContact CG1-CD1 4.35Å; V108-L112 WeakPolarHBondContact O-CG 3.21Å; V108-L112 PolarHBondContact O-N 3.16Å |
| 109 | M | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.4 | -41.7 | 177.1 | -61.5 | -48.7 | -55.2 | 0 | 0 | 112.1 | L3 W4 C7 L33 F105 G106 L112 S113 F129 Y141 | L3-M109 HydrophobicContact CD2-CB 4.06Å; W4-M109 HydrophobicContact CB-CE 4.1Å; W4-M109 HydrophobicContact CB-SD 4.39Å; C7-M109 HydrophobicContact CB-CE 3.17Å; L33-M109 HydrophobicContact CD2-CE 4.39Å; L33-M109 HydrophobicContact CD2-SD 4.27Å; F105-M109 HydrophobicContact CD1-CG 4.08Å; F105-M109 HydrophobicContact CD1-SD 4.06Å; F105-M109 HydrophobicContact CE1-CG 4.12Å; F105-M109 HydrophobicContact CE1-SD 3.49Å; F105-M109 WeakPolarHBondContact CE1-SD 3.49Å; F105-M109 HydrophobicContact CZ-SD 4.02Å; F105-M109 WeakPolarHBondContact O-CG 3.38Å; F105-M109 PolarHBondContact O-N 2.94Å; G106-M109 WeakPolarHBondContact O-CB 3.24Å; G106-M109 PolarHBondContact O-N 3.37Å; M109-L112 PolarHBondContact O-N 3.41Å; M109-S113 WeakPolarHBondContact O-CB 3.42Å; M109-S113 PolarHBondContact O-N 2.89Å; M109-F129 HydrophobicContact CE-CE2 4.35Å; M109-Y141 HydrophobicContact CG-CE1 4.21Å |
| 110 | N | 91.6 | Very high | 91.3 | Very high | 80 Ų | 80 | 36.6 Ų | 36.6 | 43% | 0.428 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.6 | -44.9 | 177.1 | -172.8 | 41.4 | 0 | 0 | 0 | 111.7 | G106 K107 V108 L112 S113 I114 | G106-N110 PolarHBondContact O-N 3.15Å; K107-N110 PolarHBondContact O-N 2.87Å; V108-N110 VanDerWaalsContact C-N 3.3Å; V108-N110 PolarHBondContact O-N 3.06Å; N110-L112 VanDerWaalsContact C-N 3.34Å; N110-L112 PolarHBondContact O-N 2.99Å; N110-S113 WeakPolarHBondContact O-CB 3.33Å; N110-S113 PolarHBondContact O-N 3.31Å; N110-I114 VanDerWaalsContact O-CG1 3.3Å; N110-I114 WeakPolarHBondContact O-CG1 3.47Å; N110-I114 PolarHBondContact O-N 3.48Å |
| 111 | T | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 175.3 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | L88 D92 L93 F94 K107 V108 I114 L115 | L88-T111 HydrophobicContact CD2-CG2 4.12Å; D92-T111 PolarHBondContact O-OG1 3.28Å; L93-T111 HydrophobicContact CD2-CG2 3.78Å; F94-T111 HydrophobicContact CD1-CG2 3.98Å; F94-T111 HydrophobicContact CE1-CG2 4.22Å; F94-T111 PolarHBondContact N-OG1 3.49Å; K107-T111 PolarHBondContact O-N 2.89Å; K107-T111 PolarHBondContact O-OG1 3.47Å; V108-T111 PolarHBondContact O-N 3.33Å; T111-I114 PolarHBondContact O-N 3.4Å; T111-L115 WeakPolarHBondContact O-CB 3.26Å; T111-L115 PolarHBondContact O-N 3.21Å |
| 112 | L | 96 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.5 | -36.6 | 177.7 | -66.9 | 178.2 | 0 | 0 | 0 | 112.4 | L37 L43 L46 F78 V108 M109 N110 L115 S116 F129 | L37-L112 HydrophobicContact CD1-CD1 4Å; L43-L112 HydrophobicContact CD2-CD1 4.36Å; L43-L112 HydrophobicContact CD2-CD2 3.86Å; L46-L112 HydrophobicContact CD2-CD2 3.99Å; F78-L112 HydrophobicContact CZ-CD2 4.08Å; V108-L112 HydrophobicContact CG1-CD1 4.35Å; V108-L112 WeakPolarHBondContact O-CG 3.21Å; V108-L112 PolarHBondContact O-N 3.16Å; M109-L112 PolarHBondContact O-N 3.41Å; N110-L112 VanDerWaalsContact C-N 3.34Å; N110-L112 PolarHBondContact O-N 2.99Å; L112-L115 HydrophobicContact CD2-CD2 4.45Å; L112-L115 PolarHBondContact O-N 3.34Å; L112-S116 PolarHBondContact O-N 3.45Å; L112-F129 HydrophobicContact CB-CE1 4.46Å; L112-F129 HydrophobicContact CB-CZ 3.87Å |
| 113 | S | 94.3 | Very high | 91.8 | Very high | 14 Ų | 14 | 44.9 Ų | 44.9 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -46.4 | 173.3 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | M109 N110 L115 S116 H117 F129 P130 | M109-S113 WeakPolarHBondContact O-CB 3.42Å; M109-S113 PolarHBondContact O-N 2.89Å; N110-S113 WeakPolarHBondContact O-CB 3.33Å; N110-S113 PolarHBondContact O-N 3.31Å; S113-L115 VanDerWaalsContact C-N 3.32Å; S113-L115 PolarHBondContact O-N 3.38Å; S113-S116 WeakPolarHBondContact O-CB 3.42Å; S113-S116 PolarHBondContact O-N 2.89Å; S113-S116 PolarHBondContact O-OG 3.33Å; S113-H117 PolarHBondContact O-N 3.18Å; S113-H117 PolarHBondContact O-ND1 2.71Å; S113-F129 WeakPolarHBondContact CB-O 3.17Å; S113-F129 VanDerWaalsContact N-CZ 3.33Å; S113-F129 PolarHBondContact OG-O 3.47Å; S113-P130 WeakPolarHBondContact OG-CD 3.29Å |
| 114 | I | 94.1 | Very high | 91.9 | Very high | 49 Ų | 49 | 43.5 Ų | 43.5 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.2 | -41.1 | 176.3 | -67 | 168.9 | 0 | 0 | 0 | 110.8 | L88 D92 N110 T111 S116 H117 S118 | L88-I114 HydrophobicContact CD2-CG2 4.19Å; L88-I114 HydrophobicContact CG-CG2 4.09Å; D92-I114 HydrophobicContact CB-CD1 3.66Å; N110-I114 VanDerWaalsContact O-CG1 3.3Å; N110-I114 WeakPolarHBondContact O-CG1 3.47Å; N110-I114 PolarHBondContact O-N 3.48Å; T111-I114 PolarHBondContact O-N 3.4Å; I114-S116 VanDerWaalsContact C-N 3.32Å; I114-S116 PolarHBondContact O-N 3.08Å; I114-H117 PolarHBondContact O-N 2.78Å; I114-S118 PolarHBondContact O-N 3.01Å |
| 115 | L | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -38.5 | 175.8 | -173.6 | 63.7 | 0 | 0 | 0 | 112 | W10 L46 L47 L50 F78 F86 L88 T111 L112 S113 H117 S118 | W10-L115 HydrophobicContact CH2-CD2 4.34Å; W10-L115 HydrophobicContact CH2-CG 4.29Å; L46-L115 HydrophobicContact CD2-CD2 3.86Å; L46-L115 HydrophobicContact CG-CD2 4.47Å; L47-L115 HydrophobicContact CD2-CD1 4.3Å; L47-L115 HydrophobicContact CD2-CD2 3.79Å; L50-L115 HydrophobicContact CD1-CD2 4.27Å; L50-L115 HydrophobicContact CD1-CG 4.18Å; F78-L115 HydrophobicContact CE2-CD2 4.22Å; F78-L115 HydrophobicContact CZ-CD2 4.32Å; F86-L115 HydrophobicContact CB-CD1 4.04Å; F86-L115 HydrophobicContact CD1-CD1 3.57Å; F86-L115 HydrophobicContact CE1-CD1 4.17Å; F86-L115 HydrophobicContact CG-CD1 3.86Å; L88-L115 HydrophobicContact CD1-CD1 4.09Å; L88-L115 HydrophobicContact CD2-CB 4.46Å; T111-L115 WeakPolarHBondContact O-CB 3.26Å; T111-L115 PolarHBondContact O-N 3.21Å; L112-L115 HydrophobicContact CD2-CD2 4.45Å; L112-L115 PolarHBondContact O-N 3.34Å; S113-L115 VanDerWaalsContact C-N 3.32Å; S113-L115 PolarHBondContact O-N 3.38Å; L115-H117 PolarHBondContact O-N 3.45Å; L115-S118 WeakPolarHBondContact O-CB 3.38Å; L115-S118 PolarHBondContact O-N 3.36Å; L115-S118 PolarHBondContact O-OG 3.19Å |
| 116 | S | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.4 | -29 | 176.4 | 81.4 | 0 | 0 | 0 | 0 | 113.1 | W10 L112 S113 I114 S118 A121 F129 | W10-S116 VanDerWaalsContact CE2-CB 3.45Å; W10-S116 VanDerWaalsContact CZ2-CA 3.46Å; L112-S116 PolarHBondContact O-N 3.45Å; S113-S116 WeakPolarHBondContact O-CB 3.42Å; S113-S116 PolarHBondContact O-N 2.89Å; S113-S116 PolarHBondContact O-OG 3.33Å; I114-S116 VanDerWaalsContact C-N 3.32Å; I114-S116 PolarHBondContact O-N 3.08Å; S116-S118 VanDerWaalsContact C-N 3.32Å; S116-A121 WeakPolarHBondContact O-CB 3.24Å; S116-F129 PolarHBondContact OG-N 3.02Å; S116-F129 VanDerWaalsContact OG-N 3.15Å; S116-F129 PolarHBondContact OG-O 2.77Å |
| 117 | H | 93.5 | Very high | 92 | Very high | 94 Ų | 94 | 48.8 Ų | 48.8 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 0.4 | 174.7 | -69.6 | 87.4 | 0 | 0 | 0 | 113.6 | S113 I114 L115 F129 | S113-H117 PolarHBondContact O-N 3.18Å; S113-H117 PolarHBondContact O-ND1 2.71Å; I114-H117 PolarHBondContact O-N 2.78Å; L115-H117 PolarHBondContact O-N 3.45Å; H117-F129 PolarHBondContact CE1-O 2.63Å |
| 118 | S | 92.8 | Very high | 92.1 | Very high | 15 Ų | 15 | 47.7 Ų | 47.7 | 11% | 0.105 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -63.3 | 149.3 | 177.6 | 71.8 | 0 | 0 | 0 | 0 | 111.1 | I114 L115 S116 V120 A121 L122 | I114-S118 PolarHBondContact O-N 3.01Å; L115-S118 WeakPolarHBondContact O-CB 3.38Å; L115-S118 PolarHBondContact O-N 3.36Å; L115-S118 PolarHBondContact O-OG 3.19Å; S116-S118 VanDerWaalsContact C-N 3.32Å; S118-V120 PolarHBondContact O-N 2.88Å; S118-A121 PolarHBondContact O-N 2.83Å; S118-A121 VanDerWaalsContact O-N 3.11Å; S118-A121 WeakPolarHBondContact OG-CB 3.25Å; S118-A121 PolarHBondContact OG-N 3.48Å; S118-L122 WeakPolarHBondContact O-CG 3.38Å; S118-L122 PolarHBondContact O-N 3.4Å |
| 119 | H | 90 | Very high | 92 | Very high | 133 Ų | 133 | 47.9 Ų | 47.9 | 62% | 0.616 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -56.7 | -36.8 | 179.3 | -173 | 57.8 | 0 | 0 | 0 | 112.4 | L122 Q123 | H119-L122 PolarHBondContact O-N 3.05Å; H119-Q123 PolarHBondContact CD2-NE2 2.8Å; H119-Q123 PolarHBondContact NE2-NE2 3.09Å; H119-Q123 WeakPolarHBondContact O-CB 3.45Å; H119-Q123 WeakPolarHBondContact O-CG 3.41Å; H119-Q123 PolarHBondContact O-N 3.48Å |
| 120 | V | 90.7 | Very high | 91.8 | Very high | 36 Ų | 36 | 50.4 Ų | 50.4 | 22% | 0.218 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63 | -45.4 | 178.2 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | L50 L51 F86 S118 | L50-V120 HydrophobicContact CB-CG1 4.41Å; L50-V120 WeakPolarHBondContact O-CG1 3.36Å; L51-V120 HydrophobicContact CB-CG1 4.14Å; F86-V120 HydrophobicContact CD1-CB 4.28Å; F86-V120 HydrophobicContact CD1-CG2 4.35Å; F86-V120 HydrophobicContact CE1-CB 4.04Å; F86-V120 HydrophobicContact CE1-CG1 3.93Å; F86-V120 HydrophobicContact CE1-CG2 4.4Å; S118-V120 PolarHBondContact O-N 2.88Å |
| 121 | A | 89.4 | Confident | 91.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L50 S116 S118 Q123 R124 | L50-A121 HydrophobicContact CD2-CB 4.01Å; S116-A121 WeakPolarHBondContact O-CB 3.24Å; S118-A121 PolarHBondContact O-N 2.83Å; S118-A121 VanDerWaalsContact O-N 3.11Å; S118-A121 WeakPolarHBondContact OG-CB 3.25Å; S118-A121 PolarHBondContact OG-N 3.48Å; A121-Q123 VanDerWaalsContact C-N 3.34Å; A121-Q123 PolarHBondContact O-N 3.26Å; A121-R124 PolarHBondContact O-N 3.49Å; A121-R124 VanDerWaalsContact O-N 3.15Å |
| 122 | L | 90.6 | Very high | 90.4 | Very high | 82 Ų | 82 | 60.9 Ų | 60.9 | 43% | 0.429 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.7 | -35.5 | 179.2 | -65.8 | 175.1 | 0 | 0 | 0 | 112.8 | S118 H119 R124 G125 P128 | S118-L122 WeakPolarHBondContact O-CG 3.38Å; S118-L122 PolarHBondContact O-N 3.4Å; H119-L122 PolarHBondContact O-N 3.05Å; L122-R124 PolarHBondContact O-N 3.26Å; L122-G125 PolarHBondContact O-N 3.48Å; L122-P128 HydrophobicContact CD2-CB 4.36Å; L122-P128 HydrophobicContact CD2-CG 3.93Å |
| 123 | Q | 89.9 | Confident | 88.8 | Confident | 139 Ų | 139 | 65 Ų | 65 | 65% | 0.65 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.6 | -26.8 | 175.7 | -81.2 | -173.2 | -5.8 | 0 | 0 | 113.3 | H119 A121 G125 | H119-Q123 PolarHBondContact CD2-NE2 2.8Å; H119-Q123 PolarHBondContact NE2-NE2 3.09Å; H119-Q123 WeakPolarHBondContact O-CB 3.45Å; H119-Q123 WeakPolarHBondContact O-CG 3.41Å; H119-Q123 PolarHBondContact O-N 3.48Å; A121-Q123 VanDerWaalsContact C-N 3.34Å; A121-Q123 PolarHBondContact O-N 3.26Å; Q123-G125 PolarHBondContact O-N 3.22Å |
| 124 | R | 86.9 | Confident | 87.4 | Confident | 127 Ų | 127 | 66.8 Ų | 66.8 | 48% | 0.479 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -0.3 | 175.6 | -71.8 | -158.7 | 175.2 | -138.8 | 8.3 | 114 | N49 L50 A121 L122 L126 | N49-R124 PolarHBondContact O-NE 2.86Å; N49-R124 PolarHBondContact O-NH1 3.23Å; N49-R124 PolarHBondContact O-NH2 3.39Å; N49-R124 VanDerWaalsContact O-NH2 3.12Å; L50-R124 PolarHBondContact O-NE 3.4Å; L50-R124 PolarHBondContact O-NH2 3.31Å; A121-R124 PolarHBondContact O-N 3.49Å; A121-R124 VanDerWaalsContact O-N 3.15Å; L122-R124 PolarHBondContact O-N 3.26Å; R124-L126 VanDerWaalsContact C-N 3.25Å; R124-L126 HydrophobicContact CB-CD1 4.03Å; R124-L126 HydrophobicContact CB-CG 4.06Å; R124-L126 PolarHBondContact O-N 3.27Å |
| 125 | G | 88.8 | Confident | 85.7 | Confident | 70 Ų | 70 | 68.5 Ų | 68.5 | 72% | 0.722 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 17.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L122 Q123 | L122-G125 PolarHBondContact O-N 3.48Å; Q123-G125 PolarHBondContact O-N 3.22Å |
| 126 | L | 89.9 | Confident | 84 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 15% | 0.152 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 137 | 176.8 | -62.7 | 167 | 0 | 0 | 0 | 109.8 | E13 L50 R124 P128 | E13-L126 HydrophobicContact CB-CD2 4.07Å; L50-L126 HydrophobicContact CD2-CD1 3.48Å; L50-L126 VanDerWaalsContact CD2-CD1 3.48Å; R124-L126 VanDerWaalsContact C-N 3.25Å; R124-L126 HydrophobicContact CB-CD1 4.03Å; R124-L126 HydrophobicContact CB-CG 4.06Å; R124-L126 PolarHBondContact O-N 3.27Å; L126-P128 WeakPolarHBondContact O-CD 3.39Å |
| 127 | Q | 90.1 | Very high | 82.7 | Confident | 99 Ų | 99 | 75.4 Ų | 75.4 | 46% | 0.463 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 121.2 | -179.2 | -164.3 | -154.5 | -82.7 | 0 | 0 | 109.7 | L131 | Q127-L131 VanDerWaalsContact NE2-CD2 3.34Š|
| 128 | P | 92.2 | Very high | 81.5 | Confident | 34 Ų | 34 | 76.2 Ų | 76.2 | 22% | 0.221 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 163.9 | 178.8 | 31.6 | -36.9 | 0 | 0 | 0 | 111.9 | L122 L126 | L122-P128 HydrophobicContact CD2-CB 4.36Å; L122-P128 HydrophobicContact CD2-CG 3.93Å; L126-P128 WeakPolarHBondContact O-CD 3.39Å |
| 129 | F | 93.1 | Very high | 80.6 | Confident | 4 Ų | 4 | 83 Ų | 83 | 2% | 0.018 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -132.4 | 150.2 | 175.1 | 77.5 | -82.8 | 0 | 0 | 0 | 111 | L3 Q6 C7 W10 M109 L112 S113 S116 H117 | L3-F129 HydrophobicContact CD1-CD2 3.93Å; L3-F129 HydrophobicContact CD1-CE2 4.23Å; Q6-F129 HydrophobicContact CB-CB 4.03Å; Q6-F129 HydrophobicContact CB-CD2 4.37Å; Q6-F129 HydrophobicContact CB-CG 4.44Å; C7-F129 HydrophobicContact CB-CD2 4.28Å; C7-F129 HydrophobicContact CB-CE1 4.21Å; C7-F129 HydrophobicContact CB-CE2 3.64Å; C7-F129 HydrophobicContact CB-CZ 3.59Å; C7-F129 VanDerWaalsContact SG-CZ 3.59Å; W10-F129 HydrophobicContact CB-CD1 3.81Å; W10-F129 HydrophobicContact CB-CE1 4.21Å; W10-F129 HydrophobicContact CD2-CD1 4Å; W10-F129 AromaticContact CD2-CE1 3.84Å; W10-F129 HydrophobicContact CD2-CE1 3.84Å; W10-F129 HydrophobicContact CE3-CD1 4.22Å; W10-F129 AromaticContact CE3-CE1 3.59Å; W10-F129 HydrophobicContact CE3-CE1 3.59Å; W10-F129 AromaticContact CG-CD1 3.81Å; W10-F129 HydrophobicContact CG-CD1 3.81Å; W10-F129 HydrophobicContact CG-CE1 4.11Å; W10-F129 HydrophobicContact CZ3-CE1 4.24Å; M109-F129 HydrophobicContact CE-CE2 4.35Å; L112-F129 HydrophobicContact CB-CE1 4.46Å; L112-F129 HydrophobicContact CB-CZ 3.87Å; S113-F129 WeakPolarHBondContact CB-O 3.17Å; S113-F129 VanDerWaalsContact N-CZ 3.33Å; S113-F129 PolarHBondContact OG-O 3.47Å; S116-F129 PolarHBondContact OG-N 3.02Å; S116-F129 VanDerWaalsContact OG-N 3.15Å; S116-F129 PolarHBondContact OG-O 2.77Å; H117-F129 PolarHBondContact CE1-O 2.63Å |
| 130 | P | 87.9 | Confident | 80.1 | Confident | 54 Ų | 54 | 78.8 Ų | 78.8 | 35% | 0.351 | 46% | 0.458 | S | S | . | . | S | Bend | cis | -79.9 | 153.8 | 3.6 | 30.8 | -34.4 | 0 | 0 | 0 | 114.4 | L3 S113 C134 | L3-P130 HydrophobicContact CD1-CB 3.69Å; L3-P130 HydrophobicContact CD1-CG 4.08Å; S113-P130 WeakPolarHBondContact OG-CD 3.29Å; P130-C134 HydrophobicContact CB-CB 4.31Å |
| 131 | L | 83.8 | Confident | 79.7 | Confident | 95 Ų | 95 | 78.1 Ų | 78.1 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 146.6 | 164.6 | -71.3 | 169.1 | 0 | 0 | 0 | 111.1 | Q127 G133 C134 | Q127-L131 VanDerWaalsContact NE2-CD2 3.34Å; L131-G133 PolarHBondContact O-N 3.49Å; L131-C134 PolarHBondContact O-N 2.87Å |
| 132 | E | 73.7 | Confident | 79.1 | Confident | 204 Ų | 204 | 82.3 Ų | 82.3 | 95% | 0.953 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 131.5 | -178.4 | -72 | -172.7 | 163.5 | 0 | 0 | 112.2 | ||
| 133 | G | 63 | Low | 78.4 | Confident | 88 Ų | 88 | 80.2 Ų | 80.2 | 91% | 0.907 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.1 | 7.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | L131 | L131-G133 PolarHBondContact O-N 3.49Š|
| 134 | C | 63.6 | Low | 78.1 | Confident | 51 Ų | 51 | 73.7 Ų | 73.7 | 35% | 0.345 | 45% | 0.449 | S | S | . | . | trans | -88.6 | 129.6 | 171.7 | -99.4 | 0 | 0 | 0 | 0 | 113 | M1 Q6 P130 L131 | M1-C134 PolarHBondContact O-SG 2.79Å; Q6-C134 PolarHBondContact NE2-SG 3.39Å; P130-C134 HydrophobicContact CB-CB 4.31Å; L131-C134 PolarHBondContact O-N 2.87Å | ||
| 135 | A | 58.8 | Low | 77.7 | Confident | 85 Ų | 85 | 69 Ų | 69 | 70% | 0.702 | 44% | 0.435 | S | S | * | . | trans | -84.3 | 136.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110 | D137 | A135-D137 PolarHBondContact O-N 2.92Š| ||
| 136 | A | 59.9 | Low | 77 | Confident | 65 Ų | 65 | 68.5 Ų | 68.5 | 54% | 0.537 | 42% | 0.416 | S | S | . | . | trans | -71.5 | 111.8 | 164 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 137 | D | 68.2 | Low | 76.4 | Confident | 80 Ų | 80 | 71.1 Ų | 71.1 | 43% | 0.428 | 43% | 0.428 | S | S | . | . | trans | -95.5 | 88.6 | 173 | -170.3 | -6.7 | 0 | 0 | 0 | 108.1 | A135 E139 I140 | A135-D137 PolarHBondContact O-N 2.92Å; D137-E139 PolarHBondContact O-N 3.5Å; D137-E139 WeakPolarHBondContact OD1-CB 3.36Å; D137-E139 PolarHBondContact OD1-N 2.85Å; D137-I140 HydrophobicContact CB-CG2 4.14Å; D137-I140 WeakPolarHBondContact O-CD1 3.16Å; D137-I140 WeakPolarHBondContact O-CG1 3.33Å; D137-I140 PolarHBondContact O-N 3.14Å | ||
| 138 | D | 68.4 | Low | 75.8 | Confident | 110 Ų | 110 | 66.4 Ų | 66.4 | 59% | 0.588 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -70.3 | -13.1 | -176.7 | -67.8 | -27.2 | 0 | 0 | 0 | 112.6 | I140 Y141 | D138-I140 VanDerWaalsContact C-N 3.27Å; D138-I140 PolarHBondContact O-N 2.88Å; D138-Y141 HydrophobicContact CB-CD2 4.35Å; D138-Y141 PolarHBondContact O-N 3.24Å |
| 139 | E | 73.1 | Confident | 74.9 | Confident | 159 Ų | 159 | 65.2 Ų | 65.2 | 74% | 0.743 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -67.3 | -28.7 | 177.9 | -65 | -170.4 | 174.1 | 0 | 0 | 111.9 | D137 Y141 S142 | D137-E139 PolarHBondContact O-N 3.5Å; D137-E139 WeakPolarHBondContact OD1-CB 3.36Å; D137-E139 PolarHBondContact OD1-N 2.85Å; E139-Y141 PolarHBondContact O-N 3.31Å; E139-S142 VanDerWaalsContact O-CB 3.28Å; E139-S142 WeakPolarHBondContact O-CB 3.5Å; E139-S142 PolarHBondContact O-N 3.12Å; E139-S142 PolarHBondContact O-OG 3.24Å |
| 140 | I | 79.3 | Confident | 73.5 | Confident | 43 Ų | 43 | 68.6 Ų | 68.6 | 22% | 0.221 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -67.5 | -20.3 | 179.9 | 77.7 | -166.8 | 0 | 0 | 0 | 112.8 | D137 D138 S142 | D137-I140 HydrophobicContact CB-CG2 4.14Å; D137-I140 WeakPolarHBondContact O-CD1 3.16Å; D137-I140 WeakPolarHBondContact O-CG1 3.33Å; D137-I140 PolarHBondContact O-N 3.14Å; D138-I140 VanDerWaalsContact C-N 3.27Å; D138-I140 PolarHBondContact O-N 2.88Å; I140-S142 VanDerWaalsContact C-N 3.34Å |
| 141 | Y | 82.4 | Confident | 72 | Confident | 23 Ų | 23 | 69 Ų | 69 | 9% | 0.09 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -85.7 | -11.8 | 176.9 | -48.2 | -54.8 | 0 | 0 | 0 | 112.2 | V30 F105 M109 D138 E139 G143 L144 | V30-Y141 HydrophobicContact CG2-CD1 3.96Å; V30-Y141 HydrophobicContact CG2-CE1 3.86Å; F105-Y141 HydrophobicContact CB-CD1 4.15Å; F105-Y141 HydrophobicContact CB-CG 4.42Å; F105-Y141 AromaticContact CD1-CD1 3.88Å; F105-Y141 HydrophobicContact CD1-CD1 3.88Å; F105-Y141 AromaticContact CD1-CE1 3.96Å; F105-Y141 HydrophobicContact CD1-CE1 3.96Å; M109-Y141 HydrophobicContact CG-CE1 4.21Å; D138-Y141 HydrophobicContact CB-CD2 4.35Å; D138-Y141 PolarHBondContact O-N 3.24Å; E139-Y141 PolarHBondContact O-N 3.31Å; Y141-G143 PolarHBondContact O-N 3.21Å; Y141-L144 HydrophobicContact CD1-CD1 4.07Å; Y141-L144 WeakPolarHBondContact O-CG 3.26Å; Y141-L144 PolarHBondContact O-N 3.16Å |
| 142 | S | 76.7 | Confident | 70.5 | Confident | 88 Ų | 88 | 66.9 Ų | 66.9 | 62% | 0.615 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 131.1 | 178.6 | 75.7 | 0 | 0 | 0 | 0 | 110.7 | E139 I140 L144 | E139-S142 VanDerWaalsContact O-CB 3.28Å; E139-S142 WeakPolarHBondContact O-CB 3.5Å; E139-S142 PolarHBondContact O-N 3.12Å; E139-S142 PolarHBondContact O-OG 3.24Å; I140-S142 VanDerWaalsContact C-N 3.34Å; S142-L144 VanDerWaalsContact C-N 3.34Å; S142-L144 PolarHBondContact O-N 2.89Å |
| 143 | G | 76.9 | Confident | 69.5 | Low | 37 Ų | 37 | 63.5 Ų | 63.5 | 38% | 0.381 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -3.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y141 S145 D146 Q147 | Y141-G143 PolarHBondContact O-N 3.21Å; G143-S145 VanDerWaalsContact C-N 3.25Å; G143-S145 PolarHBondContact O-N 3.2Å; G143-D146 WeakPolarHBondContact O-CB 3.33Å; G143-D146 PolarHBondContact O-N 3.34Å; G143-Q147 PolarHBondContact O-N 3.3Å |
| 144 | L | 82.6 | Confident | 69.2 | Low | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.016 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.5 | -37.2 | 176.4 | -74.3 | 174.5 | 0 | 0 | 0 | 112.9 | V30 C31 V102 F105 Y141 S142 D146 Q147 I148 | V30-L144 HydrophobicContact CG1-CD1 4.03Å; V30-L144 HydrophobicContact CG1-CD2 3.67Å; V30-L144 HydrophobicContact CG1-CG 4.27Å; V30-L144 HydrophobicContact CG2-CD1 4.37Å; C31-L144 HydrophobicContact CB-CD2 3.82Å; V102-L144 HydrophobicContact CB-CB 4.23Å; V102-L144 VanDerWaalsContact CG2-C 3.45Å; V102-L144 HydrophobicContact CG2-CB 3.86Å; F105-L144 HydrophobicContact CB-CD1 3.94Å; F105-L144 HydrophobicContact CD1-CD1 4.29Å; F105-L144 HydrophobicContact CG-CD1 4.24Å; Y141-L144 HydrophobicContact CD1-CD1 4.07Å; Y141-L144 WeakPolarHBondContact O-CG 3.26Å; Y141-L144 PolarHBondContact O-N 3.16Å; S142-L144 VanDerWaalsContact C-N 3.34Å; S142-L144 PolarHBondContact O-N 2.89Å; L144-D146 PolarHBondContact O-N 3.4Å; L144-Q147 PolarHBondContact O-N 3.14Å; L144-I148 WeakPolarHBondContact O-CB 3.35Å; L144-I148 PolarHBondContact O-N 2.93Å |
| 145 | S | 79.4 | Confident | 69.1 | Low | 28 Ų | 28 | 65.8 Ų | 65.8 | 20% | 0.196 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.4 | -12.6 | 178.2 | -160.1 | 0 | 0 | 0 | 0 | 114.2 | D101 V102 G143 K487 | D101-S145 PolarHBondContact O-OG 2.84Å; V102-S145 VanDerWaalsContact CG2-CA 3.45Å; G143-S145 VanDerWaalsContact C-N 3.25Å; G143-S145 PolarHBondContact O-N 3.2Å; S145-K487 PolarHBondContact O-NZ 3.23Å; S145-K487 PolarHBondContact OG-NZ 2.79Å |
| 146 | D | 74.9 | Confident | 69 | Low | 60 Ų | 60 | 66.8 Ų | 66.8 | 32% | 0.321 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -99.6 | -23.6 | 176.9 | -62.9 | -23.7 | 0 | 0 | 0 | 112.4 | G143 L144 K466 | G143-D146 WeakPolarHBondContact O-CB 3.33Å; G143-D146 PolarHBondContact O-N 3.34Å; L144-D146 PolarHBondContact O-N 3.4Å; D146-K466 VanDerWaalsContact CG-CE 3.45Å; D146-K466 WeakPolarHBondContact OD1-CE 3.23Å; D146-K466 IonicContact OD1-NZ 3.81Å; D146-K466 PolarHBondContact OD1-NZ 3.25Å; D146-K466 VanDerWaalsContact OD2-CE 3.3Å; D146-K466 WeakPolarHBondContact OD2-CE 3.32Å; D146-K466 IonicContact OD2-NZ 3.98Å; D146-K466 PolarHBondContact OD2-NZ 3.06Å |
| 147 | Q | 77.1 | Confident | 69.1 | Low | 83 Ų | 83 | 69.2 Ų | 69.2 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -100.2 | -18 | -178.4 | -62.7 | 173.2 | 7.5 | 0 | 0 | 113.5 | G143 L144 D149 D150 | G143-Q147 PolarHBondContact O-N 3.3Å; L144-Q147 PolarHBondContact O-N 3.14Å; Q147-D149 PolarHBondContact O-N 3Å; Q147-D149 VanDerWaalsContact O-N 3.07Å; Q147-D150 WeakPolarHBondContact O-CB 3.16Å; Q147-D150 PolarHBondContact O-N 3.13Å |
| 148 | I | 77.3 | Confident | 69.3 | Low | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.5 | -171.9 | -163.7 | 63.4 | 0 | 0 | 0 | 113.5 | A34 Q35 R38 V102 L144 | A34-I148 HydrophobicContact CB-CD1 3.86Å; Q35-I148 HydrophobicContact CG-CD1 3.64Å; Q35-I148 PolarHBondContact NE2-O 3.48Å; R38-I148 PolarHBondContact NH1-O 3.36Å; V102-I148 HydrophobicContact CG1-CD1 3.76Å; V102-I148 HydrophobicContact CG1-CG1 3.96Å; V102-I148 HydrophobicContact CG2-CB 3.73Å; V102-I148 HydrophobicContact CG2-CD1 4.34Å; V102-I148 HydrophobicContact CG2-CG1 3.95Å; V102-I148 HydrophobicContact CG2-CG2 3.93Å; L144-I148 WeakPolarHBondContact O-CB 3.35Å; L144-I148 PolarHBondContact O-N 2.93Å |
| 149 | D | 72.6 | Confident | 69.5 | Low | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.043 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -5.5 | 178 | -61.7 | -40.9 | 0 | 0 | 0 | 112.9 | R38 Q147 V152 E490 L491 | R38-D149 IonicContact CZ-OD1 2.65Å; R38-D149 VanDerWaalsContact CZ-OD1 3.28Å; R38-D149 IonicContact NH1-OD1 3.31Å; R38-D149 PolarHBondContact NH1-OD1 3.47Å; R38-D149 IonicContact NH2-OD1 2.77Å; R38-D149 PolarHBondContact NH2-OD1 3.3Å; Q147-D149 PolarHBondContact O-N 3Å; Q147-D149 VanDerWaalsContact O-N 3.07Å; D149-V152 WeakPolarHBondContact O-CG2 3.36Å; D149-E490 HydrophobicContact CB-CB 4.26Å; D149-E490 WeakPolarHBondContact O-CB 3.5Å; D149-L491 HydrophobicContact CB-CG 4.35Å; D149-L491 WeakPolarHBondContact OD2-CD1 3.49Å |
| 150 | D | 63.9 | Low | 69.2 | Low | 75 Ų | 75 | 60.1 Ų | 60.1 | 40% | 0.401 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -25.4 | -167.3 | -65.1 | 1.8 | 0 | 0 | 0 | 115 | Q147 | Q147-D150 WeakPolarHBondContact O-CB 3.16Å; Q147-D150 PolarHBondContact O-N 3.13Å |
| 151 | T | 56.5 | Low | 68.4 | Low | 62 Ų | 62 | 61.6 Ų | 61.6 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -113.4 | 32.5 | -172.9 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | Q35 D153 | Q35-T151 PolarHBondContact NE2-OG1 2.9Å; Q35-T151 PolarHBondContact OE1-O 2.92Å; Q35-T151 PolarHBondContact OE1-OG1 3.49Å; T151-D153 VanDerWaalsContact C-N 3.33Å; T151-D153 PolarHBondContact O-N 3.33Å |
| 152 | V | 53 | Low | 67.6 | Low | 51 Ų | 51 | 60.8 Ų | 60.8 | 31% | 0.309 | 33% | 0.334 | S | S | . | . | trans | -85.9 | 73.3 | -172.7 | -160.4 | 0 | 0 | 0 | 0 | 111 | D149 | D149-V152 WeakPolarHBondContact O-CG2 3.36Š| ||
| 153 | D | 52.9 | Low | 66.4 | Low | 133 Ų | 133 | 63.2 Ų | 63.2 | 71% | 0.711 | 34% | 0.335 | S | S | * | . | trans | -70.9 | 127.6 | 150.8 | -69.7 | -34.5 | 0 | 0 | 0 | 106.9 | T151 D155 | T151-D153 VanDerWaalsContact C-N 3.33Å; T151-D153 PolarHBondContact O-N 3.33Å; D153-D155 PolarHBondContact O-N 3.15Å | ||
| 154 | E | 55.7 | Low | 65.2 | Low | 137 Ų | 137 | 64.8 Ų | 64.8 | 64% | 0.64 | 34% | 0.335 | S | S | * | . | trans | -60.4 | 102.3 | 171.6 | -71.1 | 180 | 157.7 | 0 | 0 | 107.3 | D156 | E154-D156 PolarHBondContact O-N 3.41Š| ||
| 155 | D | 61.9 | Low | 63.5 | Low | 51 Ų | 51 | 68 Ų | 68 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | trans | -78.9 | 67.5 | 178.3 | -135.9 | -16.6 | 0 | 0 | 0 | 106.7 | H21 R22 D153 D157 L158 | H21-D155 IonicContact NE2-OD2 3.03Å; H21-D155 PolarHBondContact NE2-OD2 2.91Å; R22-D155 IonicContact CZ-OD2 3.63Å; R22-D155 IonicContact NE-OD2 3.75Å; R22-D155 PolarHBondContact NE-OD2 3.08Å; R22-D155 IonicContact NH2-OD2 3.63Å; R22-D155 PolarHBondContact NH2-OD2 3.26Å; D153-D155 PolarHBondContact O-N 3.15Å; D155-D157 PolarHBondContact O-N 3Å; D155-L158 HydrophobicContact CB-CB 3.96Å; D155-L158 HydrophobicContact CB-CD2 4.42Å; D155-L158 WeakPolarHBondContact O-CB 3.17Å; D155-L158 PolarHBondContact O-N 3.03Å | ||
| 156 | D | 56.1 | Low | 62 | Low | 105 Ų | 105 | 69.7 Ų | 69.7 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -54.1 | -29 | -173.6 | -86.5 | -23.5 | 0 | 0 | 0 | 112 | E154 | E154-D156 PolarHBondContact O-N 3.41Š|
| 157 | D | 62.3 | Low | 60.6 | Low | 117 Ų | 117 | 72.4 Ų | 72.4 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -85.2 | -4.5 | -179.4 | -56.8 | -20 | 0 | 0 | 0 | 113.2 | D155 Y159 D160 F161 | D155-D157 PolarHBondContact O-N 3Å; D157-Y159 PolarHBondContact O-N 2.64Å; D157-D160 PolarHBondContact O-N 3.04Å; D157-F161 VanDerWaalsContact O-CE1 3.31Å; D157-F161 WeakPolarHBondContact O-CE1 3.38Å |
| 158 | L | 72.5 | Confident | 59.5 | Low | 6 Ų | 6 | 74.3 Ų | 74.3 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -66.9 | -19 | -176 | -178.5 | 59.8 | 0 | 0 | 0 | 113.7 | L17 H21 A36 L42 D155 F161 | L17-L158 HydrophobicContact CD2-CD1 3.98Å; H21-L158 VanDerWaalsContact NE2-CD1 3.32Å; H21-L158 WeakPolarHBondContact NE2-CD1 3.3Å; A36-L158 HydrophobicContact CB-CD2 4.39Å; L42-L158 HydrophobicContact CD1-CD1 3.92Å; L42-L158 HydrophobicContact CD1-CD2 4.49Å; L42-L158 HydrophobicContact CD1-CG 4.26Å; D155-L158 HydrophobicContact CB-CB 3.96Å; D155-L158 HydrophobicContact CB-CD2 4.42Å; D155-L158 WeakPolarHBondContact O-CB 3.17Å; D155-L158 PolarHBondContact O-N 3.03Å; L158-F161 VanDerWaalsContact C-CZ 3.46Å; L158-F161 HydrophobicContact CD1-CZ 4.22Å; L158-F161 WeakPolarHBondContact O-CE2 3.46Å; L158-F161 WeakPolarHBondContact O-CZ 3.44Å |
| 159 | Y | 72.8 | Confident | 58.6 | Low | 46 Ų | 46 | 74.6 Ų | 74.6 | 18% | 0.18 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -113.9 | -0.8 | -176.7 | -50.1 | -74.2 | 0 | 0 | 0 | 113.3 | D39 V41 L42 D157 F161 V162 | D39-Y159 WeakPolarHBondContact OD2-CE1 3.42Å; D39-Y159 PolarHBondContact OD2-OH 3.29Å; V41-Y159 HydrophobicContact CB-CD1 4.22Å; V41-Y159 HydrophobicContact CB-CE1 3.84Å; V41-Y159 HydrophobicContact CG1-CD1 3.76Å; V41-Y159 HydrophobicContact CG1-CE1 3.92Å; V41-Y159 HydrophobicContact CG2-CE1 4.38Å; L42-Y159 HydrophobicContact CD2-CD1 4.31Å; L42-Y159 HydrophobicContact CD2-CE1 4.47Å; L42-Y159 HydrophobicContact CG-CE1 4.47Å; D157-Y159 PolarHBondContact O-N 2.64Å; Y159-F161 PolarHBondContact O-N 3.48Å; Y159-F161 VanDerWaalsContact O-N 3.1Å; Y159-V162 HydrophobicContact CD1-CG2 4.35Å; Y159-V162 WeakPolarHBondContact O-CB 3.5Å; Y159-V162 PolarHBondContact O-N 2.91Å |
| 160 | D | 65.6 | Low | 58.4 | Low | 105 Ų | 105 | 77.1 Ų | 77.1 | 56% | 0.561 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -16.7 | -175.3 | -77.7 | -2.5 | 0 | 0 | 0 | 113.8 | R63 D157 | R63-D160 IonicContact NH2-OD1 2.65Å; D157-D160 PolarHBondContact O-N 3.04Å |
| 161 | F | 62.5 | Low | 58.8 | Low | 75 Ų | 75 | 80.7 Ų | 80.7 | 33% | 0.329 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -1.9 | 175.7 | 44.5 | -94.5 | 0 | 0 | 0 | 113.5 | V16 P18 L42 D157 L158 Y159 E163 | V16-F161 VanDerWaalsContact O-CE2 3.28Å; V16-F161 WeakPolarHBondContact O-CE2 3.42Å; P18-F161 HydrophobicContact CB-CD1 4.41Å; P18-F161 HydrophobicContact CB-CE1 4.15Å; P18-F161 HydrophobicContact CG-CD1 4.28Å; P18-F161 HydrophobicContact CG-CE1 3.55Å; P18-F161 HydrophobicContact CG-CZ 3.73Å; L42-F161 HydrophobicContact CD2-CE2 4.39Å; D157-F161 VanDerWaalsContact O-CE1 3.31Å; D157-F161 WeakPolarHBondContact O-CE1 3.38Å; L158-F161 VanDerWaalsContact C-CZ 3.46Å; L158-F161 HydrophobicContact CD1-CZ 4.22Å; L158-F161 WeakPolarHBondContact O-CE2 3.46Å; L158-F161 WeakPolarHBondContact O-CZ 3.44Å; Y159-F161 PolarHBondContact O-N 3.48Å; Y159-F161 VanDerWaalsContact O-N 3.1Å; F161-E163 PolarHBondContact O-N 3.49Å |
| 162 | V | 65.6 | Low | 60 | Low | 6 Ų | 6 | 79 Ų | 79 | 4% | 0.036 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -69 | 113.2 | 164.4 | 178.8 | 0 | 0 | 0 | 0 | 105.2 | L42 Q45 L62 Y159 D164 | L42-V162 HydrophobicContact CD2-CG2 3.9Å; Q45-V162 HydrophobicContact CB-CG1 4.44Å; Q45-V162 HydrophobicContact CG-CG1 4.25Å; Q45-V162 HydrophobicContact CG-CG2 4.46Å; L62-V162 HydrophobicContact CD2-CG1 4.22Å; Y159-V162 HydrophobicContact CD1-CG2 4.35Å; Y159-V162 WeakPolarHBondContact O-CB 3.5Å; Y159-V162 PolarHBondContact O-N 2.91Å; V162-D164 PolarHBondContact O-N 3.49Å |
| 163 | E | 53 | Low | 61.5 | Low | 138 Ų | 138 | 76.9 Ų | 76.9 | 65% | 0.645 | 39% | 0.386 | S | S | * | . | trans | -56 | 100.9 | -178.8 | -72.1 | 178.8 | 175.3 | 0 | 0 | 109.7 | F161 E165 | F161-E163 PolarHBondContact O-N 3.49Å; E163-E165 PolarHBondContact O-N 2.84Å | ||
| 164 | D | 51.5 | Low | 63 | Low | 71 Ų | 71 | 74.9 Ų | 74.9 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | trans | -63.4 | 121.7 | 162.2 | -76.7 | -32.7 | 0 | 0 | 0 | 106.3 | L62 V162 D166 N167 | L62-D164 WeakPolarHBondContact CD1-OD1 3.46Å; V162-D164 PolarHBondContact O-N 3.49Å; D164-D166 HydrophobicContact CB-CB 4.27Å; D164-D166 PolarHBondContact O-N 3.03Å; D164-N167 PolarHBondContact O-N 3.15Å | ||
| 165 | E | 46.9 | Very low | 64.4 | Low | 71 Ų | 71 | 71 Ų | 71 | 33% | 0.332 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -15.8 | 173.3 | -73.3 | -173.8 | 176.7 | 0 | 0 | 112.3 | R58 E163 N167 E168 | R58-E165 IonicContact CZ-OE2 2.95Å; R58-E165 VanDerWaalsContact CZ-OE2 3.23Å; R58-E165 IonicContact NE-OE2 3.92Å; R58-E165 PolarHBondContact NE-OE2 3.1Å; R58-E165 IonicContact NH2-OE2 2.62Å; R58-E165 PolarHBondContact NH2-OE2 2.84Å; E163-E165 PolarHBondContact O-N 2.84Å; E165-N167 PolarHBondContact O-N 3.36Å; E165-E168 PolarHBondContact O-N 3.4Å |
| 166 | D | 46.6 | Very low | 65.6 | Low | 63 Ų | 63 | 70.4 Ų | 70.4 | 34% | 0.337 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.6 | -24.8 | 172.4 | -71.5 | -20.5 | 0 | 0 | 0 | 112.8 | D164 G169 K373 | D164-D166 HydrophobicContact CB-CB 4.27Å; D164-D166 PolarHBondContact O-N 3.03Å; D166-G169 PolarHBondContact O-N 3.36Å; D166-K373 IonicContact OD1-NZ 3.56Å; D166-K373 IonicContact OD2-NZ 2.83Å; D166-K373 PolarHBondContact OD2-NZ 3.33Å |
| 167 | N | 45.8 | Very low | 67 | Low | 116 Ų | 116 | 65.7 Ų | 65.7 | 62% | 0.62 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -71.8 | -28.9 | 175.9 | -90.6 | -10.8 | 0 | 0 | 0 | 113.8 | D164 E165 G169 D170 | D164-N167 PolarHBondContact O-N 3.15Å; E165-N167 PolarHBondContact O-N 3.36Å; N167-G169 PolarHBondContact O-N 3.29Å; N167-D170 PolarHBondContact O-N 3.44Å; N167-D170 VanDerWaalsContact O-N 3.12Å |
| 168 | E | 55.2 | Low | 67.9 | Low | 123 Ų | 123 | 68.1 Ų | 68.1 | 58% | 0.575 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.7 | -32.6 | 177.3 | -167.2 | 175.7 | -156.7 | 0 | 0 | 110.7 | E165 I172 | E165-E168 PolarHBondContact O-N 3.4Å; E168-I172 WeakPolarHBondContact O-CD1 3.4Å; E168-I172 WeakPolarHBondContact O-CG1 3.24Å |
| 169 | G | 58.7 | Low | 67.7 | Low | 7 Ų | 7 | 70.5 Ų | 70.5 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60 | -44 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D166 N167 E171 I172 Y173 Q330 | D166-G169 PolarHBondContact O-N 3.36Å; N167-G169 PolarHBondContact O-N 3.29Å; G169-E171 PolarHBondContact O-N 2.96Å; G169-I172 WeakPolarHBondContact O-CB 3.48Å; G169-I172 PolarHBondContact O-N 3.48Å; G169-Y173 PolarHBondContact O-N 3.31Å; G169-Q330 VanDerWaalsContact C-CD 3.48Å; G169-Q330 VanDerWaalsContact O-CD 3.27Å; G169-Q330 PolarHBondContact O-NE2 2.98Å; G169-Q330 PolarHBondContact O-OE1 3.11Å; G169-Q330 VanDerWaalsContact O-OE1 3.12Å |
| 170 | D | 67.8 | Low | 66.9 | Low | 61 Ų | 61 | 77.6 Ų | 77.6 | 33% | 0.326 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | -170.6 | -118.6 | 36.1 | 0 | 0 | 0 | 112.7 | N167 I172 Y173 E174 Q330 K334 | N167-D170 PolarHBondContact O-N 3.44Å; N167-D170 VanDerWaalsContact O-N 3.12Å; D170-I172 PolarHBondContact O-N 3.13Å; D170-Y173 PolarHBondContact O-N 3.48Å; D170-E174 VanDerWaalsContact O-CG 3.32Å; D170-E174 WeakPolarHBondContact O-CG 3.38Å; D170-E174 PolarHBondContact O-N 2.87Å; D170-Q330 PolarHBondContact OD1-NE2 3.28Å; D170-K334 IonicContact OD1-NZ 3.54Å; D170-K334 PolarHBondContact OD1-NZ 3.13Å; D170-K334 IonicContact OD2-NZ 3.42Å; D170-K334 PolarHBondContact OD2-NZ 3.25Å |
| 171 | E | 73 | Confident | 66.2 | Low | 151 Ų | 151 | 80.8 Ų | 80.8 | 71% | 0.706 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 171.5 | -62.4 | -170.1 | 171.3 | 0 | 0 | 112.4 | G169 E174 D175 | G169-E171 PolarHBondContact O-N 2.96Å; E171-E174 PolarHBondContact O-N 3.15Å; E171-D175 WeakPolarHBondContact O-CB 3.43Å; E171-D175 PolarHBondContact O-N 3.41Å |
| 172 | I | 80.9 | Confident | 65.4 | Low | 25 Ų | 25 | 81.5 Ų | 81.5 | 13% | 0.128 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63 | -45.3 | 178.9 | -65.6 | 160.3 | 0 | 0 | 0 | 110.9 | E168 G169 D170 D175 L176 F319 D323 V327 | E168-I172 WeakPolarHBondContact O-CD1 3.4Å; E168-I172 WeakPolarHBondContact O-CG1 3.24Å; G169-I172 WeakPolarHBondContact O-CB 3.48Å; G169-I172 PolarHBondContact O-N 3.48Å; D170-I172 PolarHBondContact O-N 3.13Å; I172-D175 PolarHBondContact O-N 3.36Å; I172-L176 WeakPolarHBondContact O-CB 3.4Å; I172-L176 PolarHBondContact O-N 3.27Å; I172-F319 HydrophobicContact CG2-CD1 3.85Å; I172-F319 HydrophobicContact CG2-CE1 3.89Å; I172-D323 HydrophobicContact CD1-CB 3.9Å; I172-D323 HydrophobicContact CG2-CB 4.27Å; I172-V327 HydrophobicContact CG2-CG2 4.49Å |
| 173 | Y | 84.8 | Confident | 64.2 | Low | 7 Ų | 7 | 85.4 Ų | 85.4 | 3% | 0.027 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 179 | 178.6 | -86.1 | 0 | 0 | 0 | 111.6 | G169 D170 D175 L176 M177 V327 Q330 R331 K334 | G169-Y173 PolarHBondContact O-N 3.31Å; D170-Y173 PolarHBondContact O-N 3.48Å; Y173-D175 VanDerWaalsContact C-N 3.32Å; Y173-D175 PolarHBondContact O-N 2.88Å; Y173-L176 PolarHBondContact O-N 2.82Å; Y173-M177 HydrophobicContact CD1-CB 4.5Å; Y173-M177 HydrophobicContact CD1-CG 3.95Å; Y173-M177 HydrophobicContact CD2-CE 4.08Å; Y173-M177 HydrophobicContact CD2-CG 4.16Å; Y173-M177 HydrophobicContact CE1-CB 4.16Å; Y173-M177 HydrophobicContact CE1-CG 3.56Å; Y173-M177 HydrophobicContact CE2-CE 3.62Å; Y173-M177 HydrophobicContact CE2-CG 3.8Å; Y173-M177 HydrophobicContact CE2-SD 4.45Å; Y173-M177 HydrophobicContact CG-CG 4.22Å; Y173-M177 VanDerWaalsContact CZ-CG 3.48Å; Y173-M177 WeakPolarHBondContact O-CB 3.49Å; Y173-M177 VanDerWaalsContact O-CG 3.28Å; Y173-M177 WeakPolarHBondContact O-CG 3.33Å; Y173-M177 PolarHBondContact O-N 2.8Å; Y173-V327 HydrophobicContact CD2-CG1 3.99Å; Y173-V327 HydrophobicContact CE2-CG1 4.46Å; Y173-Q330 VanDerWaalsContact CB-NE2 3.26Å; Y173-Q330 HydrophobicContact CD2-CB 3.76Å; Y173-Q330 HydrophobicContact CE2-CB 4.39Å; Y173-Q330 HydrophobicContact CG-CB 4.07Å; Y173-R331 HydrophobicContact CE2-CB 4.01Å; Y173-R331 VanDerWaalsContact OH-CD 3.29Å; Y173-R331 WeakPolarHBondContact OH-CD 3.32Å; Y173-R331 PolarHBondContact OH-NH1 3.11Å; Y173-K334 HydrophobicContact CD1-CG 4.42Å; Y173-K334 HydrophobicContact CE1-CD 4.05Å; Y173-K334 HydrophobicContact CE1-CG 3.66Å |
| 174 | E | 84.8 | Confident | 63.9 | Low | 92 Ų | 92 | 86.7 Ų | 86.7 | 43% | 0.43 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 180 | -66 | -56 | 152.7 | 0 | 0 | 111.3 | D170 E171 L176 M177 R178 K334 | D170-E174 VanDerWaalsContact O-CG 3.32Å; D170-E174 WeakPolarHBondContact O-CG 3.38Å; D170-E174 PolarHBondContact O-N 2.87Å; E171-E174 PolarHBondContact O-N 3.15Å; E174-L176 VanDerWaalsContact C-N 3.34Å; E174-L176 PolarHBondContact O-N 2.8Å; E174-M177 PolarHBondContact O-N 2.98Å; E174-R178 WeakPolarHBondContact O-CB 3.46Å; E174-R178 PolarHBondContact O-N 2.75Å; E174-K334 IonicContact OE1-NZ 3.51Å; E174-K334 PolarHBondContact OE1-NZ 3.28Å |
| 175 | D | 84.8 | Confident | 63.6 | Low | 56 Ų | 56 | 89.5 Ų | 89.5 | 30% | 0.299 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 175.3 | -103.4 | 15.7 | 0 | 0 | 0 | 113.1 | E171 I172 Y173 R178 R318 F319 | E171-D175 WeakPolarHBondContact O-CB 3.43Å; E171-D175 PolarHBondContact O-N 3.41Å; I172-D175 PolarHBondContact O-N 3.36Å; Y173-D175 VanDerWaalsContact C-N 3.32Å; Y173-D175 PolarHBondContact O-N 2.88Å; D175-R178 IonicContact OD1-CZ 3.14Å; D175-R178 IonicContact OD1-NH1 2.86Å; D175-R178 IonicContact OD1-NH2 3.01Å; D175-R178 PolarHBondContact OD1-NH2 2.91Å; D175-R318 IonicContact OD2-CZ 2.98Å; D175-R318 IonicContact OD2-NH2 2.75Å; D175-R318 PolarHBondContact OD2-NH2 3.23Å; D175-F319 HydrophobicContact CB-CZ 4.22Å |
| 176 | L | 85.9 | Confident | 63.5 | Low | 38 Ų | 38 | 92.6 Ų | 92.6 | 20% | 0.199 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -73.6 | -37.9 | 178 | -172.3 | 67.7 | 0 | 0 | 0 | 111.9 | I172 Y173 E174 T211 F319 V327 | I172-L176 WeakPolarHBondContact O-CB 3.4Å; I172-L176 PolarHBondContact O-N 3.27Å; Y173-L176 PolarHBondContact O-N 2.82Å; E174-L176 VanDerWaalsContact C-N 3.34Å; E174-L176 PolarHBondContact O-N 2.8Å; L176-T211 HydrophobicContact CD2-CG2 3.75Å; L176-T211 WeakPolarHBondContact CD2-OG1 3.46Å; L176-F319 HydrophobicContact CD1-CD2 4.33Å; L176-F319 HydrophobicContact CD1-CE2 3.94Å; L176-V327 HydrophobicContact CD2-CG1 3.97Å; L176-V327 HydrophobicContact CD2-CG2 4Å |
| 177 | M | 86.4 | Confident | 63.3 | Low | 6 Ų | 6 | 96.9 Ų | 96.9 | 3% | 0.03 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -85.8 | -16.3 | -176.9 | -63.4 | -55.1 | 163.9 | 0 | 0 | 113.6 | Y173 E174 T179 T204 K207 Y208 V327 | Y173-M177 HydrophobicContact CD1-CB 4.5Å; Y173-M177 HydrophobicContact CD1-CG 3.95Å; Y173-M177 HydrophobicContact CD2-CE 4.08Å; Y173-M177 HydrophobicContact CD2-CG 4.16Å; Y173-M177 HydrophobicContact CE1-CB 4.16Å; Y173-M177 HydrophobicContact CE1-CG 3.56Å; Y173-M177 HydrophobicContact CE2-CE 3.62Å; Y173-M177 HydrophobicContact CE2-CG 3.8Å; Y173-M177 HydrophobicContact CE2-SD 4.45Å; Y173-M177 HydrophobicContact CG-CG 4.22Å; Y173-M177 VanDerWaalsContact CZ-CG 3.48Å; Y173-M177 WeakPolarHBondContact O-CB 3.49Å; Y173-M177 VanDerWaalsContact O-CG 3.28Å; Y173-M177 WeakPolarHBondContact O-CG 3.33Å; Y173-M177 PolarHBondContact O-N 2.8Å; E174-M177 PolarHBondContact O-N 2.98Å; M177-T179 PolarHBondContact O-N 3.19Å; M177-T179 VanDerWaalsContact O-N 3.08Å; M177-T204 HydrophobicContact CB-CG2 4.32Å; M177-K207 PolarHBondContact O-NZ 2.78Å; M177-K207 HydrophobicContact SD-CB 3.91Å; M177-Y208 HydrophobicContact CE-CD2 3.93Å; M177-Y208 HydrophobicContact CE-CG 4.34Å; M177-V327 HydrophobicContact CE-CG1 4.12Å |
| 178 | R | 81.2 | Confident | 63.2 | Low | 168 Ų | 168 | 101.2 Ų | 101.2 | 63% | 0.634 | 50% | 0.498 | S | S | * | . | trans | -48.3 | 112.4 | -179.8 | -171.2 | 179.5 | -66.5 | 157.7 | 11.1 | 113 | E174 D175 K207 | E174-R178 WeakPolarHBondContact O-CB 3.46Å; E174-R178 PolarHBondContact O-N 2.75Å; D175-R178 IonicContact OD1-CZ 3.14Å; D175-R178 IonicContact OD1-NH1 2.86Å; D175-R178 IonicContact OD1-NH2 3.01Å; D175-R178 PolarHBondContact OD1-NH2 2.91Å; R178-K207 PolarHBondContact O-NZ 2.81Å | ||
| 179 | T | 67.5 | Low | 62.8 | Low | 56 Ų | 56 | 101 Ų | 101 | 34% | 0.344 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 142.8 | 175 | 49.2 | 0 | 0 | 0 | 0 | 110.4 | M177 E181 Q203 | M177-T179 PolarHBondContact O-N 3.19Å; M177-T179 VanDerWaalsContact O-N 3.08Å; T179-E181 PolarHBondContact O-N 3.42Å; T179-Q203 HydrophobicContact CG2-CB 4.22Å |
| 180 | E | 57.6 | Low | 62.6 | Low | 194 Ų | 194 | 104.6 Ų | 104.6 | 91% | 0.907 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 130 | 174.5 | -67.7 | -174.6 | 170.9 | 0 | 0 | 109.6 | ||
| 181 | E | 49.7 | Very low | 62.4 | Low | 173 Ų | 173 | 106.2 Ų | 106.2 | 81% | 0.808 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 139.1 | 174.1 | -72.9 | -168.6 | 162.6 | 0 | 0 | 109.9 | T179 | T179-E181 PolarHBondContact O-N 3.42Š|
| 182 | P | 45.2 | Very low | 62.9 | Low | 90 Ų | 90 | 103.8 Ų | 103.8 | 58% | 0.584 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 142.3 | 172.5 | -13.4 | 25.3 | 0 | 0 | 0 | 109.6 | E184 | P182-E184 PolarHBondContact O-N 3.14Š|
| 183 | P | 40.8 | Very low | 63.3 | Low | 87 Ų | 87 | 109 Ų | 109 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 136 | 176.1 | 20.1 | -30 | 0 | 0 | 0 | 110.7 | T185 Q186 | P183-T185 PolarHBondContact O-N 2.85Å; P183-Q186 PolarHBondContact O-N 2.88Å; P183-Q186 VanDerWaalsContact O-N 3.08Å |
| 184 | E | 47.7 | Very low | 63.6 | Low | 165 Ų | 165 | 110.8 Ų | 110.8 | 77% | 0.771 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -49.5 | -14.4 | -173.6 | -67.8 | -179.6 | 152.6 | 0 | 0 | 115.2 | P182 Q186 | P182-E184 PolarHBondContact O-N 3.14Å; E184-Q186 VanDerWaalsContact C-N 3.26Å; E184-Q186 PolarHBondContact O-N 3.08Å |
| 185 | T | 44.4 | Very low | 63.8 | Low | 131 Ų | 131 | 110 Ų | 110 | 80% | 0.804 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -70.4 | -12 | 176 | 36.5 | 0 | 0 | 0 | 0 | 114.8 | P183 | P183-T185 PolarHBondContact O-N 2.85Š|
| 186 | Q | 44.5 | Very low | 64 | Low | 135 Ų | 135 | 110.2 Ų | 110.2 | 63% | 0.631 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -100 | -1.4 | 178.8 | -70.2 | -176.3 | 1.1 | 0 | 0 | 115.4 | P183 E184 K188 | P183-Q186 PolarHBondContact O-N 2.88Å; P183-Q186 VanDerWaalsContact O-N 3.08Å; E184-Q186 VanDerWaalsContact C-N 3.26Å; E184-Q186 PolarHBondContact O-N 3.08Å; Q186-K188 PolarHBondContact O-N 3.39Å |
| 187 | Q | 43.7 | Very low | 64.3 | Low | 154 Ų | 154 | 108.9 Ų | 108.9 | 72% | 0.72 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 13.8 | -177.3 | -78.8 | -177.2 | -3 | 0 | 0 | 115.9 | ||
| 188 | K | 42.4 | Very low | 64.6 | Low | 207 Ų | 207 | 108.7 Ų | 108.7 | 90% | 0.9 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 13.4 | -175.4 | -79.7 | -169.6 | 176.9 | 179 | 0 | 116.5 | Q186 | Q186-K188 PolarHBondContact O-N 3.39Š|
| 189 | V | 46.8 | Very low | 65.1 | Low | 119 Ų | 119 | 102.8 Ų | 102.8 | 72% | 0.721 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -122.4 | 134.7 | 169.4 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | V191 | V189-V191 WeakPolarHBondContact O-CG2 3.37Å; V189-V191 PolarHBondContact O-N 3.36Å |
| 190 | G | 55.3 | Low | 66.3 | Low | 81 Ų | 81 | 104.3 Ų | 104.3 | 84% | 0.835 | 55% | 0.551 | S | S | * | * | trans | -53 | 101.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D192 | G190-D192 PolarHBondContact O-N 3.04Š| ||
| 191 | V | 62.3 | Low | 68.1 | Low | 96 Ų | 96 | 95.2 Ų | 95.2 | 58% | 0.582 | 51% | 0.509 | S | S | * | . | trans | -69.7 | 120.3 | -177.4 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | V189 K193 C196 | V189-V191 WeakPolarHBondContact O-CG2 3.37Å; V189-V191 PolarHBondContact O-N 3.36Å; V191-K193 PolarHBondContact O-N 3.4Å; V191-C196 WeakPolarHBondContact CG1-SG 3.1Å | ||
| 192 | D | 83.9 | Confident | 70.3 | Confident | 100 Ų | 100 | 89 Ų | 89 | 54% | 0.535 | 48% | 0.478 | S | S | . | . | trans | -67.5 | 105.5 | 173.4 | -177.1 | -4.6 | 0 | 0 | 0 | 109 | G190 R194 E195 C196 | G190-D192 PolarHBondContact O-N 3.04Å; D192-R194 PolarHBondContact O-N 2.94Å; D192-R194 WeakPolarHBondContact OD1-CB 3.39Å; D192-R194 PolarHBondContact OD1-N 3.08Å; D192-E195 HydrophobicContact CB-CB 4.02Å; D192-E195 PolarHBondContact O-N 3.09Å; D192-E195 VanDerWaalsContact O-N 3.13Å; D192-C196 PolarHBondContact O-N 3.12Å | ||
| 193 | K | 88.8 | Confident | 72.6 | Confident | 135 Ų | 135 | 87.8 Ų | 87.8 | 59% | 0.587 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.1 | -31.8 | -178.7 | -65.7 | -172.5 | 178.7 | -175.3 | 0 | 112.3 | V191 C196 C197 H345 | V191-K193 PolarHBondContact O-N 3.4Å; K193-C196 WeakPolarHBondContact O-CB 3.37Å; K193-C196 PolarHBondContact O-N 3.25Å; K193-C197 PolarHBondContact O-N 3.24Å; K193-C197 VanDerWaalsContact O-N 3.1Å; K193-C197 PolarHBondContact O-SG 2.99Å; K193-H345 HydrophobicContact CB-CB 4.17Å |
| 194 | R | 91.2 | Very high | 75.1 | Confident | 43 Ų | 43 | 84.1 Ų | 84.1 | 16% | 0.162 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66 | -44.1 | 177.2 | -173.6 | -175.7 | 177.2 | -85.5 | 4.1 | 110.3 | D192 C196 C197 L198 L342 H345 T346 D351 | D192-R194 PolarHBondContact O-N 2.94Å; D192-R194 WeakPolarHBondContact OD1-CB 3.39Å; D192-R194 PolarHBondContact OD1-N 3.08Å; R194-C196 VanDerWaalsContact C-N 3.34Å; R194-C197 PolarHBondContact O-N 2.82Å; R194-L198 WeakPolarHBondContact O-CG 3.48Å; R194-L198 PolarHBondContact O-N 3.28Å; R194-L198 VanDerWaalsContact O-N 3.11Å; R194-L342 HydrophobicContact CG-CD1 3.76Å; R194-H345 HydrophobicContact CB-CB 4.22Å; R194-T346 PolarHBondContact NE-OG1 2.98Å; R194-D351 IonicContact CZ-OD2 3.82Å; R194-D351 IonicContact NE-OD2 2.77Å; R194-D351 IonicContact NH2-OD2 2.77Å; R194-D351 PolarHBondContact NH2-OD2 3.39Å |
| 195 | E | 89.9 | Confident | 77.5 | Confident | 76 Ų | 76 | 76.3 Ų | 76.3 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 176.6 | -171.9 | 57.4 | -149.6 | 0 | 0 | 111.1 | D192 C197 L198 Q199 | D192-E195 HydrophobicContact CB-CB 4.02Å; D192-E195 PolarHBondContact O-N 3.09Å; D192-E195 VanDerWaalsContact O-N 3.13Å; E195-C197 PolarHBondContact O-N 2.98Å; E195-L198 PolarHBondContact O-N 2.82Å; E195-L198 VanDerWaalsContact O-N 3.17Å; E195-Q199 HydrophobicContact CG-CG 4.41Å; E195-Q199 VanDerWaalsContact O-CG 3.29Å; E195-Q199 WeakPolarHBondContact O-CG 3.39Å; E195-Q199 PolarHBondContact O-N 2.93Å; E195-Q199 PolarHBondContact OE1-NE2 3.5Å |
| 196 | C | 89.6 | Confident | 80 | Confident | 61 Ų | 61 | 72.4 Ų | 72.4 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.2 | -46.7 | 172.7 | -74.8 | 0 | 0 | 0 | 0 | 112.7 | V191 D192 K193 R194 L198 Q199 E200 | V191-C196 WeakPolarHBondContact CG1-SG 3.1Å; D192-C196 PolarHBondContact O-N 3.12Å; K193-C196 WeakPolarHBondContact O-CB 3.37Å; K193-C196 PolarHBondContact O-N 3.25Å; R194-C196 VanDerWaalsContact C-N 3.34Å; C196-L198 VanDerWaalsContact C-N 3.32Å; C196-L198 PolarHBondContact O-N 3.03Å; C196-Q199 PolarHBondContact O-N 3.4Å; C196-E200 WeakPolarHBondContact O-CB 3.22Å; C196-E200 PolarHBondContact O-N 3.35Å |
| 197 | C | 91 | Very high | 82.4 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 6% | 0.061 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 177 | -64.7 | 0 | 0 | 0 | 0 | 112.3 | K193 R194 E195 E200 I201 L342 | K193-C197 PolarHBondContact O-N 3.24Å; K193-C197 VanDerWaalsContact O-N 3.1Å; K193-C197 PolarHBondContact O-SG 2.99Å; R194-C197 PolarHBondContact O-N 2.82Å; E195-C197 PolarHBondContact O-N 2.98Å; C197-E200 PolarHBondContact O-N 3.45Å; C197-I201 WeakPolarHBondContact O-CG1 3.41Å; C197-I201 PolarHBondContact O-N 3.44Å; C197-L342 HydrophobicContact CB-CB 4.1Å; C197-L342 HydrophobicContact CB-CD1 3.88Å |
| 198 | L | 93.8 | Very high | 84.9 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 175.9 | -68.9 | 175.9 | 0 | 0 | 0 | 111.9 | R194 E195 C196 E200 I201 R202 I257 A262 L265 L342 | R194-L198 WeakPolarHBondContact O-CG 3.48Å; R194-L198 PolarHBondContact O-N 3.28Å; R194-L198 VanDerWaalsContact O-N 3.11Å; E195-L198 PolarHBondContact O-N 2.82Å; E195-L198 VanDerWaalsContact O-N 3.17Å; C196-L198 VanDerWaalsContact C-N 3.32Å; C196-L198 PolarHBondContact O-N 3.03Å; L198-E200 VanDerWaalsContact C-N 3.33Å; L198-I201 PolarHBondContact O-N 2.93Å; L198-R202 PolarHBondContact O-N 3.45Å; L198-R202 VanDerWaalsContact O-N 3.08Å; L198-I257 HydrophobicContact CB-CD1 4.41Å; L198-I257 HydrophobicContact CD2-CG1 4.4Å; L198-I257 WeakPolarHBondContact O-CD1 3.42Å; L198-A262 HydrophobicContact CD1-CB 3.73Å; L198-A262 HydrophobicContact CD2-CB 3.63Å; L198-A262 HydrophobicContact CG-CB 4.36Å; L198-L265 HydrophobicContact CD2-CD2 3.66Å; L198-L342 HydrophobicContact CD2-CD1 3.81Å; L198-L342 HydrophobicContact CD2-CD2 3.76Å; L198-L342 HydrophobicContact CD2-CG 4.47Å; L198-L342 HydrophobicContact CG-CD1 3.88Å |
| 199 | Q | 91.7 | Very high | 87.6 | Confident | 45 Ų | 45 | 51.9 Ų | 51.9 | 21% | 0.21 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | 175.8 | -65.9 | -59.7 | -39.6 | 0 | 0 | 111.1 | E195 C196 R202 Q203 | E195-Q199 HydrophobicContact CG-CG 4.41Å; E195-Q199 VanDerWaalsContact O-CG 3.29Å; E195-Q199 WeakPolarHBondContact O-CG 3.39Å; E195-Q199 PolarHBondContact O-N 2.93Å; E195-Q199 PolarHBondContact OE1-NE2 3.5Å; C196-Q199 PolarHBondContact O-N 3.4Å; Q199-R202 PolarHBondContact O-N 3.13Å; Q199-Q203 VanDerWaalsContact O-CB 3.29Å; Q199-Q203 WeakPolarHBondContact O-CB 3.48Å; Q199-Q203 WeakPolarHBondContact O-CG 3.33Å; Q199-Q203 PolarHBondContact O-N 2.82Å |
| 200 | E | 92.3 | Very high | 89.9 | Confident | 88 Ų | 88 | 48.9 Ų | 48.9 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 176.3 | -174.3 | -177.4 | 176.6 | 0 | 0 | 111.9 | C196 C197 L198 R202 Q203 T204 L338 | C196-E200 WeakPolarHBondContact O-CB 3.22Å; C196-E200 PolarHBondContact O-N 3.35Å; C197-E200 PolarHBondContact O-N 3.45Å; L198-E200 VanDerWaalsContact C-N 3.33Å; E200-R202 VanDerWaalsContact C-N 3.31Å; E200-R202 PolarHBondContact O-N 3.36Å; E200-Q203 PolarHBondContact O-N 3.37Å; E200-T204 HydrophobicContact CG-CG2 4.2Å; E200-T204 WeakPolarHBondContact O-CB 3.21Å; E200-T204 VanDerWaalsContact O-CG2 3.27Å; E200-T204 WeakPolarHBondContact O-CG2 3.23Å; E200-T204 PolarHBondContact O-N 3.36Å; E200-T204 PolarHBondContact O-OG1 3.44Å; E200-L338 HydrophobicContact CG-CD2 4.04Å |
| 201 | I | 94.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.3 | -48.7 | 174.8 | -72.2 | 164.8 | 0 | 0 | 0 | 110.3 | C197 L198 T204 E205 V253 L265 F269 L338 L339 L342 | C197-I201 WeakPolarHBondContact O-CG1 3.41Å; C197-I201 PolarHBondContact O-N 3.44Å; L198-I201 PolarHBondContact O-N 2.93Å; I201-T204 PolarHBondContact O-OG1 3Å; I201-E205 VanDerWaalsContact O-CB 3.29Å; I201-E205 WeakPolarHBondContact O-CB 3.33Å; I201-E205 PolarHBondContact O-N 3.15Å; I201-E205 VanDerWaalsContact O-N 3.11Å; I201-V253 HydrophobicContact CG2-CG1 4.16Å; I201-L265 HydrophobicContact CD1-CD2 4.49Å; I201-F269 HydrophobicContact CG2-CZ 4.24Å; I201-L338 HydrophobicContact CD1-CB 4.37Å; I201-L338 HydrophobicContact CG1-CB 3.86Å; I201-L338 HydrophobicContact CG1-CD1 4.33Å; I201-L338 HydrophobicContact CG1-CD2 4.42Å; I201-L338 HydrophobicContact CG1-CG 4.44Å; I201-L339 HydrophobicContact CD1-CD2 4.47Å; I201-L342 HydrophobicContact CD1-CD2 4.02Å |
| 202 | R | 95.4 | Very high | 93.6 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 16% | 0.162 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.7 | -51.4 | -179.6 | -168.2 | -169.8 | 76.7 | -150.4 | -9.7 | 111.9 | L198 Q199 E200 E205 E206 R254 I257 | L198-R202 PolarHBondContact O-N 3.45Å; L198-R202 VanDerWaalsContact O-N 3.08Å; Q199-R202 PolarHBondContact O-N 3.13Å; E200-R202 VanDerWaalsContact C-N 3.31Å; E200-R202 PolarHBondContact O-N 3.36Å; R202-E205 PolarHBondContact O-N 2.87Å; R202-E206 IonicContact NE-OE1 2.77Å; R202-E206 PolarHBondContact NE-OE1 3.45Å; R202-E206 VanDerWaalsContact O-CG 3.31Å; R202-E206 WeakPolarHBondContact O-CG 3.47Å; R202-E206 PolarHBondContact O-N 2.93Å; R202-R254 HydrophobicContact CG-CG 4.06Å; R202-I257 HydrophobicContact CB-CD1 3.94Å |
| 203 | Q | 93.7 | Very high | 94.2 | Very high | 63 Ų | 63 | 38.8 Ų | 38.8 | 29% | 0.294 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.8 | -41.3 | -174.4 | -71.8 | 174.1 | 19.3 | 0 | 0 | 111.7 | T179 Q199 E200 E205 E206 K207 | T179-Q203 HydrophobicContact CG2-CB 4.22Å; Q199-Q203 VanDerWaalsContact O-CB 3.29Å; Q199-Q203 WeakPolarHBondContact O-CB 3.48Å; Q199-Q203 WeakPolarHBondContact O-CG 3.33Å; Q199-Q203 PolarHBondContact O-N 2.82Å; E200-Q203 PolarHBondContact O-N 3.37Å; Q203-E205 VanDerWaalsContact C-N 3.34Å; Q203-E206 PolarHBondContact O-N 2.98Å; Q203-K207 WeakPolarHBondContact O-CG 3.34Å; Q203-K207 PolarHBondContact O-N 2.93Å |
| 204 | T | 94.9 | Very high | 94.6 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.9 | -33 | 176.3 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | M177 E200 I201 Y208 R331 | M177-T204 HydrophobicContact CB-CG2 4.32Å; E200-T204 HydrophobicContact CG-CG2 4.2Å; E200-T204 WeakPolarHBondContact O-CB 3.21Å; E200-T204 VanDerWaalsContact O-CG2 3.27Å; E200-T204 WeakPolarHBondContact O-CG2 3.23Å; E200-T204 PolarHBondContact O-N 3.36Å; E200-T204 PolarHBondContact O-OG1 3.44Å; I201-T204 PolarHBondContact O-OG1 3Å; T204-Y208 WeakPolarHBondContact O-CB 3.25Å; T204-Y208 PolarHBondContact O-N 3.14Å; T204-R331 VanDerWaalsContact CB-NH1 3.3Å; T204-R331 PolarHBondContact OG1-NH1 3.02Å; T204-R331 PolarHBondContact OG1-NH2 3.15Å |
| 205 | E | 97.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.2 | -37.9 | 173.2 | -168.2 | 66.2 | -158.8 | 0 | 0 | 112.4 | I201 R202 Q203 Y208 T209 H246 L250 R331 Y335 | I201-E205 VanDerWaalsContact O-CB 3.29Å; I201-E205 WeakPolarHBondContact O-CB 3.33Å; I201-E205 PolarHBondContact O-N 3.15Å; I201-E205 VanDerWaalsContact O-N 3.11Å; R202-E205 PolarHBondContact O-N 2.87Å; Q203-E205 VanDerWaalsContact C-N 3.34Å; E205-Y208 PolarHBondContact O-N 2.76Å; E205-T209 WeakPolarHBondContact O-CB 3.32Å; E205-T209 PolarHBondContact O-N 3Å; E205-T209 PolarHBondContact O-OG1 3.29Å; E205-H246 IonicContact OE1-CE1 3.15Å; E205-H246 IonicContact OE1-CG 3.14Å; E205-H246 IonicContact OE1-ND1 3.74Å; E205-H246 PolarHBondContact OE1-ND1 3.36Å; E205-L250 HydrophobicContact CB-CD1 4.16Å; E205-L250 HydrophobicContact CG-CB 4.04Å; E205-L250 HydrophobicContact CG-CD1 4.01Å; E205-R331 IonicContact OE2-CZ 2.72Å; E205-R331 IonicContact OE2-NE 2.81Å; E205-R331 PolarHBondContact OE2-NE 3.48Å; E205-R331 VanDerWaalsContact OE2-NE 3.17Å; E205-R331 IonicContact OE2-NH2 2.79Å; E205-R331 PolarHBondContact OE2-NH2 3.34Å; E205-Y335 PolarHBondContact OE1-OH 3.06Å; E205-Y335 WeakPolarHBondContact OE2-CE1 3.29Å; E205-Y335 PolarHBondContact OE2-OH 3.02Å |
| 206 | E | 96.3 | Very high | 95.3 | Very high | 49 Ų | 49 | 28.9 Ų | 28.9 | 23% | 0.229 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.7 | -49.1 | 173.6 | -74.6 | 171.4 | 172 | 0 | 0 | 110.9 | R202 Q203 T209 A210 L250 R254 | R202-E206 IonicContact NE-OE1 2.77Å; R202-E206 PolarHBondContact NE-OE1 3.45Å; R202-E206 VanDerWaalsContact O-CG 3.31Å; R202-E206 WeakPolarHBondContact O-CG 3.47Å; R202-E206 PolarHBondContact O-N 2.93Å; Q203-E206 PolarHBondContact O-N 2.98Å; E206-T209 PolarHBondContact O-N 3.25Å; E206-A210 WeakPolarHBondContact O-CB 3.47Å; E206-A210 PolarHBondContact O-N 3.45Å; E206-L250 HydrophobicContact CB-CD1 4.44Å; E206-L250 HydrophobicContact CG-CD1 3.54Å; E206-L250 HydrophobicContact CG-CD2 4.11Å; E206-L250 HydrophobicContact CG-CG 4.44Å; E206-R254 IonicContact OE1-CZ 2.73Å; E206-R254 IonicContact OE1-NE 2.67Å; E206-R254 PolarHBondContact OE1-NE 3.34Å; E206-R254 IonicContact OE1-NH2 3.6Å; E206-R254 PolarHBondContact OE1-NH2 3.15Å |
| 207 | K | 94.9 | Very high | 95.7 | Very high | 61 Ų | 61 | 30.2 Ų | 30.2 | 27% | 0.265 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 176.2 | -73.9 | -179.9 | -179.8 | -174.3 | 0 | 111.8 | M177 R178 Q203 T209 A210 T211 | M177-K207 PolarHBondContact O-NZ 2.78Å; M177-K207 HydrophobicContact SD-CB 3.91Å; R178-K207 PolarHBondContact O-NZ 2.81Å; Q203-K207 WeakPolarHBondContact O-CG 3.34Å; Q203-K207 PolarHBondContact O-N 2.93Å; K207-T209 PolarHBondContact O-N 3.1Å; K207-A210 CarbonylContact O-C 3.52Å; K207-A210 WeakPolarHBondContact O-CB 3.42Å; K207-A210 PolarHBondContact O-N 3.36Å; K207-T211 PolarHBondContact O-N 2.85Å; K207-T211 PolarHBondContact O-OG1 3.09Å |
| 208 | Y | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 179.6 | 178.7 | -111.9 | 0 | 0 | 0 | 112.3 | M177 T204 E205 A210 T211 L212 H246 Y279 V327 P328 R331 | M177-Y208 HydrophobicContact CE-CD2 3.93Å; M177-Y208 HydrophobicContact CE-CG 4.34Å; T204-Y208 WeakPolarHBondContact O-CB 3.25Å; T204-Y208 PolarHBondContact O-N 3.14Å; E205-Y208 PolarHBondContact O-N 2.76Å; Y208-A210 VanDerWaalsContact C-N 3.33Å; Y208-A210 PolarHBondContact O-N 3.16Å; Y208-T211 WeakPolarHBondContact O-CB 3.39Å; Y208-T211 PolarHBondContact O-N 2.65Å; Y208-T211 VanDerWaalsContact O-N 3.15Å; Y208-L212 HydrophobicContact CD1-CD1 4.24Å; Y208-L212 HydrophobicContact CE1-CD1 3.57Å; Y208-L212 HydrophobicContact CE1-CG 4.13Å; Y208-L212 HydrophobicContact CE2-CD2 4.24Å; Y208-L212 HydrophobicContact CE2-CG 4.23Å; Y208-L212 PolarHBondContact O-N 3.05Å; Y208-H246 AromaticContact CD1-ND1 3.8Å; Y208-H246 HydrophobicContact CE1-CB 4.39Å; Y208-H246 AromaticContact CE1-CD2 3.69Å; Y208-H246 AromaticContact CE1-CE1 3.68Å; Y208-H246 AromaticContact CE1-CG 3.6Å; Y208-H246 AromaticContact CE1-ND1 3.58Å; Y208-H246 AromaticContact CE1-NE2 3.77Å; Y208-Y279 WeakPolarHBondContact CE1-OH 3.33Å; Y208-Y279 PolarHBondContact OH-OH 3.38Å; Y208-V327 HydrophobicContact CD2-CG1 3.96Å; Y208-V327 HydrophobicContact CE2-CG1 3.95Å; Y208-P328 HydrophobicContact CE2-CG 4.47Å; Y208-P328 WeakPolarHBondContact OH-CA 3.49Å; Y208-P328 VanDerWaalsContact OH-CB 3.26Å; Y208-P328 WeakPolarHBondContact OH-CB 3.46Å; Y208-R331 HydrophobicContact CD1-CB 4.42Å; Y208-R331 HydrophobicContact CD1-CG 3.64Å; Y208-R331 HydrophobicContact CD2-CB 3.85Å; Y208-R331 HydrophobicContact CD2-CG 3.85Å; Y208-R331 HydrophobicContact CE1-CB 4.2Å; Y208-R331 HydrophobicContact CE1-CG 3.71Å; Y208-R331 HydrophobicContact CE2-CB 3.63Å; Y208-R331 HydrophobicContact CE2-CG 3.95Å; Y208-R331 HydrophobicContact CG-CB 4.25Å; Y208-R331 HydrophobicContact CG-CG 3.71Å |
| 209 | T | 97.7 | Very high | 96.1 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 176.4 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | E205 E206 K207 T211 L212 D213 H247 L250 | E205-T209 WeakPolarHBondContact O-CB 3.32Å; E205-T209 PolarHBondContact O-N 3Å; E205-T209 PolarHBondContact O-OG1 3.29Å; E206-T209 PolarHBondContact O-N 3.25Å; K207-T209 PolarHBondContact O-N 3.1Å; T209-T211 VanDerWaalsContact C-N 3.32Å; T209-T211 PolarHBondContact O-N 2.98Å; T209-L212 WeakPolarHBondContact O-CB 3.31Å; T209-L212 PolarHBondContact O-N 3.33Å; T209-D213 PolarHBondContact O-N 3.27Å; T209-H247 VanDerWaalsContact CG2-CE1 3.43Å; T209-H247 WeakPolarHBondContact CG2-CE1 3.44Å; T209-H247 WeakPolarHBondContact CG2-ND1 3.34Å; T209-L250 HydrophobicContact CG2-CD2 4.25Å |
| 210 | A | 96.7 | Very high | 96.4 | Very high | 56 Ų | 56 | 32 Ų | 32 | 46% | 0.463 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.5 | -34 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E206 K207 Y208 D213 S214 | E206-A210 WeakPolarHBondContact O-CB 3.47Å; E206-A210 PolarHBondContact O-N 3.45Å; K207-A210 CarbonylContact O-C 3.52Å; K207-A210 WeakPolarHBondContact O-CB 3.42Å; K207-A210 PolarHBondContact O-N 3.36Å; Y208-A210 VanDerWaalsContact C-N 3.33Å; Y208-A210 PolarHBondContact O-N 3.16Å; A210-D213 PolarHBondContact O-N 3.41Å; A210-S214 WeakPolarHBondContact O-CB 3.29Å; A210-S214 PolarHBondContact O-N 3.42Å |
| 211 | T | 96.3 | Very high | 96.6 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 8% | 0.08 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.9 | -46.5 | 172.3 | -57.1 | 0 | 0 | 0 | 0 | 111 | L176 K207 Y208 T209 D213 S214 I215 L324 | L176-T211 HydrophobicContact CD2-CG2 3.75Å; L176-T211 WeakPolarHBondContact CD2-OG1 3.46Å; K207-T211 PolarHBondContact O-N 2.85Å; K207-T211 PolarHBondContact O-OG1 3.09Å; Y208-T211 WeakPolarHBondContact O-CB 3.39Å; Y208-T211 PolarHBondContact O-N 2.65Å; Y208-T211 VanDerWaalsContact O-N 3.15Å; T209-T211 VanDerWaalsContact C-N 3.32Å; T209-T211 PolarHBondContact O-N 2.98Å; T211-D213 VanDerWaalsContact C-N 3.3Å; T211-D213 PolarHBondContact O-N 3.35Å; T211-S214 WeakPolarHBondContact O-CB 3.44Å; T211-S214 PolarHBondContact O-N 2.85Å; T211-S214 VanDerWaalsContact O-N 3.12Å; T211-I215 HydrophobicContact CG2-CD1 4.39Å; T211-I215 WeakPolarHBondContact O-CG1 3.44Å; T211-I215 PolarHBondContact O-N 3.04Å; T211-L324 HydrophobicContact CG2-CD2 3.96Å |
| 212 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.9 | -43 | 175.9 | -67.3 | -178.9 | 0 | 0 | 0 | 111.5 | Y208 T209 S214 I215 L216 I239 L242 A243 H246 P328 | Y208-L212 HydrophobicContact CD1-CD1 4.24Å; Y208-L212 HydrophobicContact CE1-CD1 3.57Å; Y208-L212 HydrophobicContact CE1-CG 4.13Å; Y208-L212 HydrophobicContact CE2-CD2 4.24Å; Y208-L212 HydrophobicContact CE2-CG 4.23Å; Y208-L212 PolarHBondContact O-N 3.05Å; T209-L212 WeakPolarHBondContact O-CB 3.31Å; T209-L212 PolarHBondContact O-N 3.33Å; L212-S214 VanDerWaalsContact C-N 3.35Å; L212-S214 PolarHBondContact O-N 3.28Å; L212-I215 HydrophobicContact CD2-CD1 4.48Å; L212-I215 WeakPolarHBondContact O-CB 3.25Å; L212-I215 PolarHBondContact O-N 2.82Å; L212-L216 WeakPolarHBondContact O-CG 3.32Å; L212-L216 PolarHBondContact O-N 3.08Å; L212-I239 HydrophobicContact CD2-CD1 3.51Å; L212-I239 HydrophobicContact CD2-CG1 4.05Å; L212-L242 HydrophobicContact CD1-CB 4.5Å; L212-A243 HydrophobicContact CB-CB 3.97Å; L212-A243 HydrophobicContact CD1-CB 4.32Å; L212-H246 HydrophobicContact CD1-CB 4.06Å; L212-P328 HydrophobicContact CD2-CG 4.12Å |
| 213 | D | 97.6 | Very high | 96.8 | Very high | 52 Ų | 52 | 32.1 Ų | 32.1 | 28% | 0.278 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.8 | -41.5 | 173.7 | -78.7 | -32.9 | 0 | 0 | 0 | 112.6 | T209 A210 T211 I215 L216 Q217 H247 | T209-D213 PolarHBondContact O-N 3.27Å; A210-D213 PolarHBondContact O-N 3.41Å; T211-D213 VanDerWaalsContact C-N 3.3Å; T211-D213 PolarHBondContact O-N 3.35Å; D213-I215 VanDerWaalsContact C-N 3.31Å; D213-I215 PolarHBondContact O-N 3.23Å; D213-L216 PolarHBondContact O-N 3.45Å; D213-L216 VanDerWaalsContact O-N 3.16Å; D213-Q217 WeakPolarHBondContact O-CB 3.32Å; D213-Q217 VanDerWaalsContact O-CG 3.23Å; D213-Q217 WeakPolarHBondContact O-CG 3.29Å; D213-Q217 PolarHBondContact O-N 2.87Å; D213-H247 VanDerWaalsContact CG-CE1 3.45Å; D213-H247 IonicContact OD1-CE1 2.82Å; D213-H247 PolarHBondContact OD1-CE1 3.11Å; D213-H247 IonicContact OD1-NE2 2.71Å; D213-H247 IonicContact OD2-CE1 3.95Å; D213-H247 PolarHBondContact OD2-CE1 3.44Å; D213-H247 IonicContact OD2-NE2 3.89Å; D213-H247 PolarHBondContact OD2-NE2 3.42Å; D213-H247 VanDerWaalsContact OD2-NE2 3.15Å |
| 214 | S | 97.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 33.2 Ų | 33.2 | 17% | 0.168 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.1 | -43.5 | 176.2 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | A210 T211 L212 L216 Q217 H218 | A210-S214 WeakPolarHBondContact O-CB 3.29Å; A210-S214 PolarHBondContact O-N 3.42Å; T211-S214 WeakPolarHBondContact O-CB 3.44Å; T211-S214 PolarHBondContact O-N 2.85Å; T211-S214 VanDerWaalsContact O-N 3.12Å; L212-S214 VanDerWaalsContact C-N 3.35Å; L212-S214 PolarHBondContact O-N 3.28Å; S214-L216 PolarHBondContact O-N 2.88Å; S214-Q217 PolarHBondContact O-N 3.34Å; S214-H218 WeakPolarHBondContact O-CA 3.28Å; S214-H218 VanDerWaalsContact O-CB 3.29Å; S214-H218 WeakPolarHBondContact O-CB 3.36Å; S214-H218 PolarHBondContact O-N 2.89Å |
| 215 | I | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -58.1 | -48.8 | 173.7 | -64.4 | 167.2 | 0 | 0 | 0 | 110.4 | T211 L212 D213 F219 M220 F236 I239 L321 L324 | T211-I215 HydrophobicContact CG2-CD1 4.39Å; T211-I215 WeakPolarHBondContact O-CG1 3.44Å; T211-I215 PolarHBondContact O-N 3.04Å; L212-I215 HydrophobicContact CD2-CD1 4.48Å; L212-I215 WeakPolarHBondContact O-CB 3.25Å; L212-I215 PolarHBondContact O-N 2.82Å; D213-I215 VanDerWaalsContact C-N 3.31Å; D213-I215 PolarHBondContact O-N 3.23Å; I215-F219 WeakPolarHBondContact O-CA 3.45Å; I215-F219 WeakPolarHBondContact O-CB 3.32Å; I215-F219 PolarHBondContact O-N 2.81Å; I215-F219 VanDerWaalsContact O-N 3.13Å; I215-M220 PolarHBondContact O-N 2.72Å; I215-F236 HydrophobicContact CG2-CD1 3.95Å; I215-F236 HydrophobicContact CG2-CE1 3.77Å; I215-I239 HydrophobicContact CG2-CG1 4.34Å; I215-L321 HydrophobicContact CG2-CD1 4.25Å; I215-L324 HydrophobicContact CD1-CB 3.97Å; I215-L324 HydrophobicContact CG1-CB 3.98Å; I215-L324 HydrophobicContact CG1-CD1 4.27Å |
| 216 | L | 97.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -65 | -46.3 | -179.1 | -68.7 | 178.7 | 0 | 0 | 0 | 113 | L212 D213 S214 M220 K221 I239 K240 A243 | L212-L216 WeakPolarHBondContact O-CG 3.32Å; L212-L216 PolarHBondContact O-N 3.08Å; D213-L216 PolarHBondContact O-N 3.45Å; D213-L216 VanDerWaalsContact O-N 3.16Å; S214-L216 PolarHBondContact O-N 2.88Å; L216-M220 HydrophobicContact CD2-SD 3.57Å; L216-M220 VanDerWaalsContact CD2-SD 3.57Å; L216-K221 WeakPolarHBondContact O-CG 3.39Å; L216-K221 PolarHBondContact O-N 3.46Å; L216-I239 HydrophobicContact CD2-CG2 3.77Å; L216-K240 HydrophobicContact CD2-CB 4.47Å; L216-K240 HydrophobicContact CD2-CG 3.53Å; L216-A243 HydrophobicContact CD1-CB 3.59Å |
| 217 | Q | 97 | Very high | 96.7 | Very high | 88 Ų | 88 | 42.6 Ų | 42.6 | 41% | 0.411 | 21% | 0.212 | S | C | . | . | I | π-helix | trans | -82.1 | -40.9 | -171.8 | -61.2 | -60.9 | -31.9 | 0 | 0 | 112.8 | D213 S214 P222 | D213-Q217 WeakPolarHBondContact O-CB 3.32Å; D213-Q217 VanDerWaalsContact O-CG 3.23Å; D213-Q217 WeakPolarHBondContact O-CG 3.29Å; D213-Q217 PolarHBondContact O-N 2.87Å; S214-Q217 PolarHBondContact O-N 3.34Å; Q217-P222 VanDerWaalsContact O-CD 3.3Å; Q217-P222 WeakPolarHBondContact O-CD 3.41Å |
| 218 | H | 96.9 | Very high | 96.6 | Very high | 81 Ų | 81 | 45.7 Ų | 45.7 | 38% | 0.375 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -99.7 | -17.6 | -171.4 | -59.7 | -56.1 | 0 | 0 | 0 | 113.6 | S214 P222 C310 A314 | S214-H218 WeakPolarHBondContact O-CA 3.28Å; S214-H218 VanDerWaalsContact O-CB 3.29Å; S214-H218 WeakPolarHBondContact O-CB 3.36Å; S214-H218 PolarHBondContact O-N 2.89Å; H218-P222 WeakPolarHBondContact O-CG 3.3Å; H218-C310 VanDerWaalsContact O-CB 3.24Å; H218-C310 WeakPolarHBondContact O-CB 3.4Å; H218-C310 PolarHBondContact O-SG 2.85Å; H218-A314 HydrophobicContact CB-CB 3.77Å |
| 219 | F | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -115.3 | -62.4 | 175.6 | -64.6 | -94.4 | 0 | 0 | 0 | 112.3 | I215 K221 P222 L223 F236 C310 A314 L321 L324 | I215-F219 WeakPolarHBondContact O-CA 3.45Å; I215-F219 WeakPolarHBondContact O-CB 3.32Å; I215-F219 PolarHBondContact O-N 2.81Å; I215-F219 VanDerWaalsContact O-N 3.13Å; F219-K221 PolarHBondContact O-N 3.02Å; F219-P222 VanDerWaalsContact O-CD 3.29Å; F219-P222 WeakPolarHBondContact O-CD 3.17Å; F219-L223 HydrophobicContact CB-CD1 4.32Å; F219-L223 VanDerWaalsContact O-CB 3.27Å; F219-L223 WeakPolarHBondContact O-CB 3.3Å; F219-L223 WeakPolarHBondContact O-CD1 3.33Å; F219-L223 VanDerWaalsContact O-CG 3.22Å; F219-L223 WeakPolarHBondContact O-CG 3.3Å; F219-L223 PolarHBondContact O-N 3.49Å; F219-F236 HydrophobicContact CB-CE1 4.29Å; F219-F236 HydrophobicContact CB-CZ 4.22Å; F219-C310 HydrophobicContact CD1-CB 3.51Å; F219-C310 HydrophobicContact CE1-CB 3.65Å; F219-C310 HydrophobicContact CG-CB 4.14Å; F219-C310 HydrophobicContact CZ-CB 4.37Å; F219-A314 HydrophobicContact CD2-CB 4.43Å; F219-A314 HydrophobicContact CE2-CB 3.56Å; F219-A314 HydrophobicContact CZ-CB 4.1Å; F219-L321 HydrophobicContact CB-CD1 3.9Å; F219-L321 HydrophobicContact CB-CD2 4.34Å; F219-L321 HydrophobicContact CD1-CB 3.71Å; F219-L321 HydrophobicContact CD1-CD1 3.98Å; F219-L321 HydrophobicContact CD1-CD2 4.19Å; F219-L321 HydrophobicContact CD1-CG 4.17Å; F219-L321 HydrophobicContact CD2-CD1 4.44Å; F219-L321 HydrophobicContact CE1-CB 3.79Å; F219-L321 HydrophobicContact CG-CB 4.46Å; F219-L321 HydrophobicContact CG-CD1 3.87Å; F219-L324 HydrophobicContact CD2-CD1 4.36Å; F219-L324 HydrophobicContact CE2-CD1 3.55Å; F219-L324 HydrophobicContact CZ-CD1 3.89Å |
| 220 | M | 97.6 | Very high | 96 | Very high | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.059 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -59.1 | -55.3 | -171.8 | -167.6 | -180 | -172.1 | 0 | 0 | 112.2 | I215 L216 L223 E224 I232 F236 I239 K240 | I215-M220 PolarHBondContact O-N 2.72Å; L216-M220 HydrophobicContact CD2-SD 3.57Å; L216-M220 VanDerWaalsContact CD2-SD 3.57Å; M220-L223 PolarHBondContact O-N 2.79Å; M220-L223 VanDerWaalsContact O-N 3.17Å; M220-E224 WeakPolarHBondContact O-CG 3.29Å; M220-E224 PolarHBondContact O-N 2.98Å; M220-I232 HydrophobicContact CE-CG2 3.36Å; M220-I232 HydrophobicContact CG-CG2 4.13Å; M220-F236 HydrophobicContact CB-CD1 3.99Å; M220-F236 HydrophobicContact CB-CD2 4.35Å; M220-F236 HydrophobicContact CB-CE1 3.75Å; M220-F236 HydrophobicContact CB-CE2 4.15Å; M220-F236 HydrophobicContact CB-CG 4.29Å; M220-F236 HydrophobicContact CB-CZ 3.84Å; M220-F236 HydrophobicContact CE-CB 3.92Å; M220-F236 HydrophobicContact CE-CD2 4.46Å; M220-F236 HydrophobicContact CE-CG 4.26Å; M220-F236 HydrophobicContact CG-CD1 4.09Å; M220-F236 HydrophobicContact CG-CD2 3.84Å; M220-F236 HydrophobicContact CG-CE1 4.24Å; M220-F236 HydrophobicContact CG-CE2 4.01Å; M220-F236 HydrophobicContact CG-CG 3.88Å; M220-F236 HydrophobicContact CG-CZ 4.21Å; M220-F236 HydrophobicContact SD-CB 4.12Å; M220-F236 HydrophobicContact SD-CD1 4.33Å; M220-F236 HydrophobicContact SD-CG 4.08Å; M220-I239 HydrophobicContact SD-CG2 4.34Å; M220-K240 HydrophobicContact CE-CD 3.82Å; M220-K240 HydrophobicContact CE-CG 4.29Å; M220-K240 HydrophobicContact SD-CD 4.05Å; M220-K240 WeakPolarHBondContact SD-CE 3.31Å; M220-K240 HydrophobicContact SD-CG 4.01Å |
| 221 | K | 96.6 | Very high | 95.9 | Very high | 104 Ų | 104 | 50.6 Ų | 50.6 | 45% | 0.452 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 179.3 | -77.5 | -178.7 | -174.8 | -176.7 | 0 | 113.8 | L216 F219 | L216-K221 WeakPolarHBondContact O-CG 3.39Å; L216-K221 PolarHBondContact O-N 3.46Å; F219-K221 PolarHBondContact O-N 3.02Å |
| 222 | P | 96.7 | Very high | 95.8 | Very high | 34 Ų | 34 | 50.4 Ų | 50.4 | 22% | 0.221 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -39.3 | 173.6 | -30.1 | 38.5 | 0 | 0 | 0 | 114.1 | Q217 H218 F219 K225 F226 | Q217-P222 VanDerWaalsContact O-CD 3.3Å; Q217-P222 WeakPolarHBondContact O-CD 3.41Å; H218-P222 WeakPolarHBondContact O-CG 3.3Å; F219-P222 VanDerWaalsContact O-CD 3.29Å; F219-P222 WeakPolarHBondContact O-CD 3.17Å; P222-K225 PolarHBondContact O-N 3.4Å; P222-F226 WeakPolarHBondContact O-CD2 3.06Å |
| 223 | L | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.5 | -24.4 | -177.4 | -72.2 | 167.3 | 0 | 0 | 0 | 113.3 | F219 M220 K225 F226 L227 I232 F236 V303 K306 L307 L321 | F219-L223 HydrophobicContact CB-CD1 4.32Å; F219-L223 VanDerWaalsContact O-CB 3.27Å; F219-L223 WeakPolarHBondContact O-CB 3.3Å; F219-L223 WeakPolarHBondContact O-CD1 3.33Å; F219-L223 VanDerWaalsContact O-CG 3.22Å; F219-L223 WeakPolarHBondContact O-CG 3.3Å; F219-L223 PolarHBondContact O-N 3.49Å; M220-L223 PolarHBondContact O-N 2.79Å; M220-L223 VanDerWaalsContact O-N 3.17Å; L223-K225 PolarHBondContact O-N 3.03Å; L223-F226 PolarHBondContact O-N 3.29Å; L223-L227 HydrophobicContact CB-CD1 4.11Å; L223-L227 HydrophobicContact CB-CG 4.47Å; L223-L227 HydrophobicContact CD2-CD1 4.4Å; L223-L227 PolarHBondContact O-N 2.94Å; L223-I232 HydrophobicContact CB-CD1 4Å; L223-F236 HydrophobicContact CD1-CE2 4.26Å; L223-F236 HydrophobicContact CD1-CZ 3.92Å; L223-V303 HydrophobicContact CD2-CG1 4.37Å; L223-K306 HydrophobicContact CD2-CB 4.45Å; L223-K306 HydrophobicContact CD2-CG 4.13Å; L223-L307 HydrophobicContact CD1-CD2 3.72Å; L223-L307 HydrophobicContact CD2-CD2 4.21Å; L223-L307 HydrophobicContact CD2-CG 4.38Å; L223-L321 HydrophobicContact CD1-CD2 3.88Å |
| 224 | E | 96.2 | Very high | 95.2 | Very high | 86 Ų | 86 | 55.7 Ų | 55.7 | 40% | 0.402 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -20.1 | 171.6 | -79.2 | 171.4 | 173 | 0 | 0 | 112.7 | M220 I232 K240 | M220-E224 WeakPolarHBondContact O-CG 3.29Å; M220-E224 PolarHBondContact O-N 2.98Å; E224-I232 HydrophobicContact CG-CD1 4.13Å; E224-I232 HydrophobicContact CG-CG1 4.12Å; E224-I232 HydrophobicContact CG-CG2 4.23Å; E224-K240 IonicContact OE1-NZ 3.77Å; E224-K240 PolarHBondContact OE1-NZ 3.27Å |
| 225 | K | 95.1 | Very high | 95.2 | Very high | 183 Ų | 183 | 54.6 Ų | 54.6 | 80% | 0.796 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -17 | 175 | -60.5 | -176.1 | -178.6 | -178.4 | 0 | 114.4 | P222 L223 | P222-K225 PolarHBondContact O-N 3.4Å; L223-K225 PolarHBondContact O-N 3.03Å |
| 226 | F | 94.9 | Very high | 95.1 | Very high | 67 Ų | 67 | 54.7 Ų | 54.7 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -29.2 | -174.2 | -70.8 | -99 | 0 | 0 | 0 | 112.2 | P222 L223 R300 V303 K306 | P222-F226 WeakPolarHBondContact O-CD2 3.06Å; L223-F226 PolarHBondContact O-N 3.29Å; F226-R300 VanDerWaalsContact O-CZ 3.28Å; F226-R300 PolarHBondContact O-NH1 3.04Å; F226-R300 PolarHBondContact O-NH2 2.76Å; F226-V303 HydrophobicContact CB-CG2 4.32Å; F226-K306 HydrophobicContact CD2-CD 4.3Å; F226-K306 HydrophobicContact CD2-CG 3.97Å; F226-K306 HydrophobicContact CE1-CB 4.49Å; F226-K306 HydrophobicContact CE2-CD 3.64Å; F226-K306 HydrophobicContact CE2-CG 3.83Å; F226-K306 HydrophobicContact CG-CG 4.43Å; F226-K306 HydrophobicContact CZ-CD 3.78Å; F226-K306 HydrophobicContact CZ-CG 4.14Å |
| 227 | L | 94.3 | Very high | 95 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -108.7 | 154.6 | -174.6 | -61.4 | -175.6 | 0 | 0 | 0 | 111.3 | L223 D231 I232 I235 V296 V303 | L223-L227 HydrophobicContact CB-CD1 4.11Å; L223-L227 HydrophobicContact CB-CG 4.47Å; L223-L227 HydrophobicContact CD2-CD1 4.4Å; L223-L227 PolarHBondContact O-N 2.94Å; L227-D231 HydrophobicContact CB-CB 3.97Å; L227-D231 HydrophobicContact CD1-CB 4.48Å; L227-I232 HydrophobicContact CB-CD1 3.92Å; L227-I232 HydrophobicContact CB-CG1 4.02Å; L227-I232 HydrophobicContact CD1-CD1 3.98Å; L227-I232 HydrophobicContact CG-CD1 4.46Å; L227-I235 HydrophobicContact CD1-CD1 3.78Å; L227-V296 HydrophobicContact CD2-CG1 3.61Å; L227-V303 HydrophobicContact CD2-CG1 4.05Å; L227-V303 HydrophobicContact CD2-CG2 3.69Å |
| 228 | Q | 93.3 | Very high | 94.9 | Very high | 126 Ų | 126 | 51.2 Ų | 51.2 | 59% | 0.589 | 25% | 0.25 | S | S | * | . | trans | -73.2 | 156.6 | 173.7 | -62.6 | -59.2 | -37.6 | 0 | 0 | 110.2 | H230 D231 I232 | Q228-H230 PolarHBondContact O-N 3.14Å; Q228-H230 VanDerWaalsContact O-N 3.16Å; Q228-D231 WeakPolarHBondContact CB-OD2 3.24Å; Q228-D231 PolarHBondContact N-OD2 3.15Å; Q228-D231 VanDerWaalsContact N-OD2 3.15Å; Q228-D231 WeakPolarHBondContact O-CB 3.47Å; Q228-D231 PolarHBondContact O-N 2.89Å; Q228-I232 PolarHBondContact O-N 3.49Å; Q228-I232 VanDerWaalsContact O-N 3.07Å | ||
| 229 | P | 93.7 | Very high | 94.9 | Very high | 93 Ų | 93 | 47.4 Ų | 47.4 | 60% | 0.604 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -52.9 | -38.4 | 177.3 | -27.8 | 35.4 | 0 | 0 | 0 | 113.2 | I232 E233 | P229-I232 WeakPolarHBondContact O-CB 3.4Å; P229-I232 PolarHBondContact O-N 3.15Å; P229-E233 WeakPolarHBondContact O-CG 3.33Å; P229-E233 PolarHBondContact O-N 2.82Å |
| 230 | H | 89.1 | Confident | 94.9 | Very high | 44 Ų | 44 | 52 Ų | 52 | 20% | 0.204 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.7 | 172.2 | 60.5 | 0 | 0 | 0 | 112.9 | Q228 I232 E233 S234 D628 | Q228-H230 PolarHBondContact O-N 3.14Å; Q228-H230 VanDerWaalsContact O-N 3.16Å; H230-I232 VanDerWaalsContact C-N 3.27Å; H230-I232 PolarHBondContact O-N 3.17Å; H230-E233 PolarHBondContact O-N 2.84Å; H230-S234 PolarHBondContact CE1-OG 2.76Å; H230-S234 WeakPolarHBondContact O-CB 3.41Å; H230-S234 PolarHBondContact O-N 3.5Å; H230-S234 PolarHBondContact O-OG 2.89Å; H230-S234 VanDerWaalsContact O-OG 3.14Å; H230-D628 IonicContact CE1-OD1 2.8Å; H230-D628 PolarHBondContact CE1-OD1 2.9Å; H230-D628 VanDerWaalsContact CE1-OD1 3.25Å; H230-D628 IonicContact CE1-OD2 3.74Å; H230-D628 PolarHBondContact CE1-OD2 3.37Å; H230-D628 IonicContact NE2-OD1 3.83Å; H230-D628 PolarHBondContact NE2-OD1 3.45Å; H230-D628 IonicContact NE2-OD2 2.7Å |
| 231 | D | 92.9 | Very high | 94.9 | Very high | 26 Ų | 26 | 56 Ų | 56 | 14% | 0.139 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -38.8 | 175.9 | -63.1 | -45.2 | 0 | 0 | 0 | 111.2 | L227 Q228 S234 I235 H292 | L227-D231 HydrophobicContact CB-CB 3.97Å; L227-D231 HydrophobicContact CD1-CB 4.48Å; Q228-D231 WeakPolarHBondContact CB-OD2 3.24Å; Q228-D231 PolarHBondContact N-OD2 3.15Å; Q228-D231 VanDerWaalsContact N-OD2 3.15Å; Q228-D231 WeakPolarHBondContact O-CB 3.47Å; Q228-D231 PolarHBondContact O-N 2.89Å; D231-S234 PolarHBondContact O-N 3.14Å; D231-I235 VanDerWaalsContact O-CB 3.32Å; D231-I235 WeakPolarHBondContact O-CB 3.31Å; D231-I235 WeakPolarHBondContact O-CD1 3.39Å; D231-I235 VanDerWaalsContact O-CG1 3.23Å; D231-I235 WeakPolarHBondContact O-CG1 3.31Å; D231-I235 PolarHBondContact O-N 3.26Å; D231-H292 IonicContact OD1-CD2 3.62Å; D231-H292 IonicContact OD1-CE1 2.82Å; D231-H292 IonicContact OD1-NE2 3.23Å; D231-H292 PolarHBondContact OD1-NE2 3.06Å |
| 232 | I | 96.2 | Very high | 94.9 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.046 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.8 | -46 | 176.5 | -66 | -68.1 | 0 | 0 | 0 | 110.7 | M220 L223 E224 L227 Q228 P229 H230 I235 F236 | M220-I232 HydrophobicContact CE-CG2 3.36Å; M220-I232 HydrophobicContact CG-CG2 4.13Å; L223-I232 HydrophobicContact CB-CD1 4Å; E224-I232 HydrophobicContact CG-CD1 4.13Å; E224-I232 HydrophobicContact CG-CG1 4.12Å; E224-I232 HydrophobicContact CG-CG2 4.23Å; L227-I232 HydrophobicContact CB-CD1 3.92Å; L227-I232 HydrophobicContact CB-CG1 4.02Å; L227-I232 HydrophobicContact CD1-CD1 3.98Å; L227-I232 HydrophobicContact CG-CD1 4.46Å; Q228-I232 PolarHBondContact O-N 3.49Å; Q228-I232 VanDerWaalsContact O-N 3.07Å; P229-I232 WeakPolarHBondContact O-CB 3.4Å; P229-I232 PolarHBondContact O-N 3.15Å; H230-I232 VanDerWaalsContact C-N 3.27Å; H230-I232 PolarHBondContact O-N 3.17Å; I232-I235 PolarHBondContact O-N 2.91Å; I232-F236 HydrophobicContact CD1-CD2 4.23Å; I232-F236 HydrophobicContact CD1-CE2 3.94Å; I232-F236 HydrophobicContact CG2-CD2 4.06Å; I232-F236 WeakPolarHBondContact O-CB 3.39Å; I232-F236 WeakPolarHBondContact O-CD2 3.39Å; I232-F236 PolarHBondContact O-N 2.87Å |
| 233 | E | 92.8 | Very high | 95 | Very high | 132 Ų | 132 | 49.6 Ų | 49.6 | 62% | 0.617 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -60.9 | -44.5 | 175.6 | -74 | 174.4 | -173.4 | 0 | 0 | 111.5 | P229 H230 I237 | P229-E233 WeakPolarHBondContact O-CG 3.33Å; P229-E233 PolarHBondContact O-N 2.82Å; H230-E233 PolarHBondContact O-N 2.84Å; E233-I237 VanDerWaalsContact O-CA 3.25Å; E233-I237 WeakPolarHBondContact O-CA 3.39Å; E233-I237 PolarHBondContact O-N 3.25Å |
| 234 | S | 90.1 | Very high | 95.1 | Very high | 31 Ų | 31 | 57.2 Ų | 57.2 | 22% | 0.217 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 179.8 | -64.9 | 0 | 0 | 0 | 0 | 113.4 | H230 D231 A289 | H230-S234 PolarHBondContact CE1-OG 2.76Å; H230-S234 WeakPolarHBondContact O-CB 3.41Å; H230-S234 PolarHBondContact O-N 3.5Å; H230-S234 PolarHBondContact O-OG 2.89Å; H230-S234 VanDerWaalsContact O-OG 3.14Å; D231-S234 PolarHBondContact O-N 3.14Å; S234-A289 WeakPolarHBondContact O-CA 3.25Å; S234-A289 WeakPolarHBondContact O-CB 3.14Å |
| 235 | I | 95.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -79.3 | -39.5 | -179.2 | -70.1 | 162.8 | 0 | 0 | 0 | 111.8 | L227 D231 I232 L293 L321 L325 | L227-I235 HydrophobicContact CD1-CD1 3.78Å; D231-I235 VanDerWaalsContact O-CB 3.32Å; D231-I235 WeakPolarHBondContact O-CB 3.31Å; D231-I235 WeakPolarHBondContact O-CD1 3.39Å; D231-I235 VanDerWaalsContact O-CG1 3.23Å; D231-I235 WeakPolarHBondContact O-CG1 3.31Å; D231-I235 PolarHBondContact O-N 3.26Å; I232-I235 PolarHBondContact O-N 2.91Å; I235-L293 HydrophobicContact CD1-CB 4.45Å; I235-L293 HydrophobicContact CD1-CD1 4.12Å; I235-L293 HydrophobicContact CG1-CB 4.26Å; I235-L293 HydrophobicContact CG2-CB 4.47Å; I235-L293 HydrophobicContact CG2-CD1 4.31Å; I235-L321 HydrophobicContact CG2-CD2 4.3Å; I235-L325 HydrophobicContact CG2-CD1 4.13Å |
| 236 | F | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -101.8 | -8.6 | -172.2 | -66.9 | -82.9 | 0 | 0 | 0 | 113.7 | I215 F219 M220 L223 I232 N238 I239 L321 L325 | I215-F236 HydrophobicContact CG2-CD1 3.95Å; I215-F236 HydrophobicContact CG2-CE1 3.77Å; F219-F236 HydrophobicContact CB-CE1 4.29Å; F219-F236 HydrophobicContact CB-CZ 4.22Å; M220-F236 HydrophobicContact CB-CD1 3.99Å; M220-F236 HydrophobicContact CB-CD2 4.35Å; M220-F236 HydrophobicContact CB-CE1 3.75Å; M220-F236 HydrophobicContact CB-CE2 4.15Å; M220-F236 HydrophobicContact CB-CG 4.29Å; M220-F236 HydrophobicContact CB-CZ 3.84Å; M220-F236 HydrophobicContact CE-CB 3.92Å; M220-F236 HydrophobicContact CE-CD2 4.46Å; M220-F236 HydrophobicContact CE-CG 4.26Å; M220-F236 HydrophobicContact CG-CD1 4.09Å; M220-F236 HydrophobicContact CG-CD2 3.84Å; M220-F236 HydrophobicContact CG-CE1 4.24Å; M220-F236 HydrophobicContact CG-CE2 4.01Å; M220-F236 HydrophobicContact CG-CG 3.88Å; M220-F236 HydrophobicContact CG-CZ 4.21Å; M220-F236 HydrophobicContact SD-CB 4.12Å; M220-F236 HydrophobicContact SD-CD1 4.33Å; M220-F236 HydrophobicContact SD-CG 4.08Å; L223-F236 HydrophobicContact CD1-CE2 4.26Å; L223-F236 HydrophobicContact CD1-CZ 3.92Å; I232-F236 HydrophobicContact CD1-CD2 4.23Å; I232-F236 HydrophobicContact CD1-CE2 3.94Å; I232-F236 HydrophobicContact CG2-CD2 4.06Å; I232-F236 WeakPolarHBondContact O-CB 3.39Å; I232-F236 WeakPolarHBondContact O-CD2 3.39Å; I232-F236 PolarHBondContact O-N 2.87Å; F236-N238 PolarHBondContact O-N 3.06Å; F236-N238 VanDerWaalsContact O-N 3.1Å; F236-I239 HydrophobicContact CB-CG2 3.82Å; F236-I239 HydrophobicContact CD1-CG2 4.14Å; F236-I239 HydrophobicContact CG-CG2 4.46Å; F236-I239 VanDerWaalsContact O-CB 3.24Å; F236-I239 WeakPolarHBondContact O-CB 3.38Å; F236-I239 WeakPolarHBondContact O-CG2 3.49Å; F236-I239 PolarHBondContact O-N 2.85Å; F236-L321 HydrophobicContact CE1-CD1 3.88Å; F236-L321 HydrophobicContact CE1-CD2 4.16Å; F236-L321 HydrophobicContact CZ-CD1 4.29Å; F236-L321 HydrophobicContact CZ-CD2 3.75Å; F236-L325 HydrophobicContact CD1-CD2 4.47Å |
| 237 | I | 94.9 | Very high | 95.5 | Very high | 26 Ų | 26 | 45.5 Ų | 45.5 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | -114 | 173.6 | -48 | 158.3 | 0 | 0 | 0 | 110.1 | E233 Y282 Q285 V286 A289 | E233-I237 VanDerWaalsContact O-CA 3.25Å; E233-I237 WeakPolarHBondContact O-CA 3.39Å; E233-I237 PolarHBondContact O-N 3.25Å; I237-Y282 HydrophobicContact CB-CD2 4.1Å; I237-Y282 HydrophobicContact CB-CE2 4.39Å; I237-Y282 HydrophobicContact CD1-CD2 4Å; I237-Y282 HydrophobicContact CD1-CE2 4.02Å; I237-Y282 HydrophobicContact CG2-CD2 4.42Å; I237-Q285 HydrophobicContact CD1-CB 3.72Å; I237-Q285 HydrophobicContact CG1-CB 3.97Å; I237-Q285 HydrophobicContact CG2-CB 4.15Å; I237-V286 HydrophobicContact CD1-CB 4.34Å; I237-A289 HydrophobicContact CD1-CB 3.88Å; I237-A289 HydrophobicContact CG1-CB 4.14Å |
| 238 | N | 95.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 6% | 0.059 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 31.9 | 177.9 | 65.4 | -23.2 | 0 | 0 | 0 | 112.1 | F236 K240 E241 L242 L278 Y282 | F236-N238 PolarHBondContact O-N 3.06Å; F236-N238 VanDerWaalsContact O-N 3.1Å; N238-K240 PolarHBondContact O-N 3.01Å; N238-E241 VanDerWaalsContact C-OE2 3.27Å; N238-E241 WeakPolarHBondContact CA-OE2 3.41Å; N238-E241 HydrophobicContact CB-CB 4.35Å; N238-E241 WeakPolarHBondContact CB-OE2 3.23Å; N238-E241 PolarHBondContact O-N 3.21Å; N238-E241 VanDerWaalsContact O-N 3.12Å; N238-L242 PolarHBondContact O-N 3.22Å; N238-L278 PolarHBondContact ND2-O 2.75Å; N238-Y282 WeakPolarHBondContact OD1-CB 3.33Å; N238-Y282 WeakPolarHBondContact OD1-CD2 3.34Å |
| 239 | I | 97.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -28.5 | -179.8 | -160 | 75.3 | 0 | 0 | 0 | 112.3 | L212 I215 L216 M220 F236 L242 A243 Y282 P328 | L212-I239 HydrophobicContact CD2-CD1 3.51Å; L212-I239 HydrophobicContact CD2-CG1 4.05Å; I215-I239 HydrophobicContact CG2-CG1 4.34Å; L216-I239 HydrophobicContact CD2-CG2 3.77Å; M220-I239 HydrophobicContact SD-CG2 4.34Å; F236-I239 HydrophobicContact CB-CG2 3.82Å; F236-I239 HydrophobicContact CD1-CG2 4.14Å; F236-I239 HydrophobicContact CG-CG2 4.46Å; F236-I239 VanDerWaalsContact O-CB 3.24Å; F236-I239 WeakPolarHBondContact O-CB 3.38Å; F236-I239 WeakPolarHBondContact O-CG2 3.49Å; F236-I239 PolarHBondContact O-N 2.85Å; I239-L242 HydrophobicContact CD1-CD1 4.28Å; I239-L242 PolarHBondContact O-N 3.38Å; I239-A243 WeakPolarHBondContact O-CB 3.49Å; I239-A243 PolarHBondContact O-N 3.21Å; I239-Y282 HydrophobicContact CB-CE2 4.34Å; I239-Y282 HydrophobicContact CD1-CE2 3.71Å; I239-P328 HydrophobicContact CD1-CG 3.79Å |
| 240 | K | 97.2 | Very high | 96.1 | Very high | 98 Ų | 98 | 37.3 Ų | 37.3 | 43% | 0.426 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.4 | -43.8 | 175.4 | -78.6 | 174.8 | 167.9 | 158.1 | 0 | 110.8 | L216 M220 E224 N238 A243 K244 | L216-K240 HydrophobicContact CD2-CB 4.47Å; L216-K240 HydrophobicContact CD2-CG 3.53Å; M220-K240 HydrophobicContact CE-CD 3.82Å; M220-K240 HydrophobicContact CE-CG 4.29Å; M220-K240 HydrophobicContact SD-CD 4.05Å; M220-K240 WeakPolarHBondContact SD-CE 3.31Å; M220-K240 HydrophobicContact SD-CG 4.01Å; E224-K240 IonicContact OE1-NZ 3.77Å; E224-K240 PolarHBondContact OE1-NZ 3.27Å; N238-K240 PolarHBondContact O-N 3.01Å; K240-A243 PolarHBondContact O-N 3.17Å; K240-K244 PolarHBondContact O-N 2.89Å |
| 241 | E | 97.3 | Very high | 96.5 | Very high | 95 Ų | 95 | 41.9 Ų | 41.9 | 44% | 0.444 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -69.8 | -39.1 | 178.2 | -67.1 | 68.4 | -156.7 | 0 | 0 | 111.4 | N238 T245 L278 | N238-E241 VanDerWaalsContact C-OE2 3.27Å; N238-E241 WeakPolarHBondContact CA-OE2 3.41Å; N238-E241 HydrophobicContact CB-CB 4.35Å; N238-E241 WeakPolarHBondContact CB-OE2 3.23Å; N238-E241 PolarHBondContact O-N 3.21Å; N238-E241 VanDerWaalsContact O-N 3.12Å; E241-T245 WeakPolarHBondContact O-CB 3.44Å; E241-T245 PolarHBondContact O-N 2.75Å; E241-T245 PolarHBondContact O-OG1 2.87Å; E241-L278 HydrophobicContact CB-CD1 4.27Å |
| 242 | L | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.2 | -52.9 | 171.5 | -68.9 | -179.6 | 0 | 0 | 0 | 110.3 | L212 N238 I239 K244 T245 H246 L278 Y279 Y282 P328 | L212-L242 HydrophobicContact CD1-CB 4.5Å; N238-L242 PolarHBondContact O-N 3.22Å; I239-L242 HydrophobicContact CD1-CD1 4.28Å; I239-L242 PolarHBondContact O-N 3.38Å; L242-K244 VanDerWaalsContact C-N 3.31Å; L242-K244 PolarHBondContact O-N 3.34Å; L242-T245 PolarHBondContact O-N 3.02Å; L242-H246 PolarHBondContact O-CD2 2.85Å; L242-H246 PolarHBondContact O-N 3.26Å; L242-L278 HydrophobicContact CD2-CB 3.95Å; L242-Y279 HydrophobicContact CD1-CD1 4.5Å; L242-Y279 HydrophobicContact CD1-CE1 4.2Å; L242-Y279 HydrophobicContact CD2-CD1 4.37Å; L242-Y279 HydrophobicContact CD2-CD2 3.84Å; L242-Y279 HydrophobicContact CD2-CE1 4.24Å; L242-Y279 HydrophobicContact CD2-CE2 3.7Å; L242-Y279 HydrophobicContact CD2-CG 4.19Å; L242-Y282 HydrophobicContact CD1-CD1 4.34Å; L242-Y282 HydrophobicContact CD1-CD2 3.63Å; L242-Y282 HydrophobicContact CD1-CE2 4.16Å; L242-Y282 HydrophobicContact CD1-CG 3.72Å; L242-P328 HydrophobicContact CD1-CB 4.22Å |
| 243 | A | 98 | Very high | 96.7 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.2 | -47.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L212 L216 I239 K240 T245 H246 H247 | L212-A243 HydrophobicContact CB-CB 3.97Å; L212-A243 HydrophobicContact CD1-CB 4.32Å; L216-A243 HydrophobicContact CD1-CB 3.59Å; I239-A243 WeakPolarHBondContact O-CB 3.49Å; I239-A243 PolarHBondContact O-N 3.21Å; K240-A243 PolarHBondContact O-N 3.17Å; A243-T245 VanDerWaalsContact C-N 3.33Å; A243-T245 PolarHBondContact O-N 3.35Å; A243-H246 PolarHBondContact O-N 3.47Å; A243-H247 PolarHBondContact O-N 3.31Å; A243-H247 PolarHBondContact O-ND1 3.25Å |
| 244 | K | 98.1 | Very high | 96.9 | Very high | 160 Ų | 160 | 42.5 Ų | 42.5 | 70% | 0.696 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -60 | -41.7 | 177.1 | -176.5 | -179.2 | 177.1 | -176 | 0 | 112.6 | K240 L242 S248 | K240-K244 PolarHBondContact O-N 2.89Å; L242-K244 VanDerWaalsContact C-N 3.31Å; L242-K244 PolarHBondContact O-N 3.34Å; K244-S248 PolarHBondContact O-N 3.45Å; K244-S248 PolarHBondContact O-OG 3.05Å |
| 245 | T | 97.9 | Very high | 97.2 | Very high | 12 Ų | 12 | 44 Ų | 44 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.1 | -42.9 | 179.7 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | E241 L242 A243 S248 L249 Y272 R275 L276 | E241-T245 WeakPolarHBondContact O-CB 3.44Å; E241-T245 PolarHBondContact O-N 2.75Å; E241-T245 PolarHBondContact O-OG1 2.87Å; L242-T245 PolarHBondContact O-N 3.02Å; A243-T245 VanDerWaalsContact C-N 3.33Å; A243-T245 PolarHBondContact O-N 3.35Å; T245-S248 PolarHBondContact O-N 2.92Å; T245-L249 PolarHBondContact O-N 2.82Å; T245-Y272 HydrophobicContact CG2-CD1 4.14Å; T245-Y272 HydrophobicContact CG2-CE1 4.32Å; T245-R275 HydrophobicContact CG2-CB 4.12Å; T245-L276 HydrophobicContact CG2-CD2 4.28Å |
| 246 | H | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.6 | -31.6 | 179.1 | -78.6 | -77.8 | 0 | 0 | 0 | 113.5 | E205 Y208 L212 L242 A243 S248 L249 L250 Y279 Y335 | E205-H246 IonicContact OE1-CE1 3.15Å; E205-H246 IonicContact OE1-CG 3.14Å; E205-H246 IonicContact OE1-ND1 3.74Å; E205-H246 PolarHBondContact OE1-ND1 3.36Å; Y208-H246 AromaticContact CD1-ND1 3.8Å; Y208-H246 HydrophobicContact CE1-CB 4.39Å; Y208-H246 AromaticContact CE1-CD2 3.69Å; Y208-H246 AromaticContact CE1-CE1 3.68Å; Y208-H246 AromaticContact CE1-CG 3.6Å; Y208-H246 AromaticContact CE1-ND1 3.58Å; Y208-H246 AromaticContact CE1-NE2 3.77Å; L212-H246 HydrophobicContact CD1-CB 4.06Å; L242-H246 PolarHBondContact O-CD2 2.85Å; L242-H246 PolarHBondContact O-N 3.26Å; A243-H246 PolarHBondContact O-N 3.47Å; H246-S248 VanDerWaalsContact C-N 3.34Å; H246-S248 PolarHBondContact O-N 3.33Å; H246-L249 PolarHBondContact O-N 2.82Å; H246-L250 VanDerWaalsContact O-CB 3.26Å; H246-L250 WeakPolarHBondContact O-CB 3.48Å; H246-L250 PolarHBondContact O-N 3.24Å; H246-Y279 PolarHBondContact CE1-OH 3.46Å; H246-Y279 AromaticContact NE2-CE2 3.29Å; H246-Y279 VanDerWaalsContact NE2-CE2 3.29Å; H246-Y279 WeakPolarHBondContact NE2-CE2 3.39Å; H246-Y279 AromaticContact NE2-CZ 3.41Å; H246-Y279 PolarHBondContact NE2-OH 2.81Å; H246-Y335 PolarHBondContact CE1-OH 3.21Å; H246-Y335 PolarHBondContact ND1-OH 3.45Å |
| 247 | H | 98.3 | Very high | 97.1 | Very high | 78 Ų | 78 | 44.6 Ų | 44.6 | 36% | 0.361 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.2 | -47.3 | 168.7 | -83.9 | 77.6 | 0 | 0 | 0 | 112.2 | T209 D213 A243 E251 | T209-H247 VanDerWaalsContact CG2-CE1 3.43Å; T209-H247 WeakPolarHBondContact CG2-CE1 3.44Å; T209-H247 WeakPolarHBondContact CG2-ND1 3.34Å; D213-H247 VanDerWaalsContact CG-CE1 3.45Å; D213-H247 IonicContact OD1-CE1 2.82Å; D213-H247 PolarHBondContact OD1-CE1 3.11Å; D213-H247 IonicContact OD1-NE2 2.71Å; D213-H247 IonicContact OD2-CE1 3.95Å; D213-H247 PolarHBondContact OD2-CE1 3.44Å; D213-H247 IonicContact OD2-NE2 3.89Å; D213-H247 PolarHBondContact OD2-NE2 3.42Å; D213-H247 VanDerWaalsContact OD2-NE2 3.15Å; A243-H247 PolarHBondContact O-N 3.31Å; A243-H247 PolarHBondContact O-ND1 3.25Å; H247-E251 PolarHBondContact O-N 3.38Å; H247-E251 VanDerWaalsContact O-N 3.13Å |
| 248 | S | 98.2 | Very high | 96.9 | Very high | 36 Ų | 36 | 48.7 Ų | 48.7 | 25% | 0.252 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.7 | -41.5 | 177.1 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | K244 T245 H246 L250 E251 D252 Y272 | K244-S248 PolarHBondContact O-N 3.45Å; K244-S248 PolarHBondContact O-OG 3.05Å; T245-S248 PolarHBondContact O-N 2.92Å; H246-S248 VanDerWaalsContact C-N 3.34Å; H246-S248 PolarHBondContact O-N 3.33Å; S248-L250 PolarHBondContact O-N 3.4Å; S248-E251 PolarHBondContact O-N 2.98Å; S248-D252 PolarHBondContact O-N 2.81Å; S248-Y272 WeakPolarHBondContact CB-OH 3.41Å; S248-Y272 PolarHBondContact O-OH 3.32Å |
| 249 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 177.5 | 178.7 | 58.5 | 0 | 0 | 0 | 111.1 | T245 H246 E251 D252 V253 V268 Y272 Y335 | T245-L249 PolarHBondContact O-N 2.82Å; H246-L249 PolarHBondContact O-N 2.82Å; L249-E251 VanDerWaalsContact C-N 3.34Å; L249-E251 PolarHBondContact O-N 3.36Å; L249-D252 PolarHBondContact O-N 2.94Å; L249-V253 HydrophobicContact CD1-CG2 3.93Å; L249-V253 HydrophobicContact CG-CG2 4.25Å; L249-V253 WeakPolarHBondContact O-CB 3.41Å; L249-V253 VanDerWaalsContact O-CG2 3.24Å; L249-V253 WeakPolarHBondContact O-CG2 3.3Å; L249-V253 PolarHBondContact O-N 3.45Å; L249-V268 HydrophobicContact CD1-CG1 3.74Å; L249-Y272 HydrophobicContact CB-CD1 3.88Å; L249-Y272 HydrophobicContact CB-CE1 3.68Å; L249-Y272 HydrophobicContact CB-CG 4.48Å; L249-Y272 HydrophobicContact CD1-CD1 4.02Å; L249-Y272 HydrophobicContact CD1-CD2 3.85Å; L249-Y272 HydrophobicContact CD1-CE1 4.36Å; L249-Y272 HydrophobicContact CD1-CE2 4.2Å; L249-Y272 HydrophobicContact CD1-CG 3.75Å; L249-Y272 HydrophobicContact CG-CD1 4.4Å; L249-Y272 PolarHBondContact N-OH 3.11Å; L249-Y335 HydrophobicContact CD2-CE1 4.49Å |
| 250 | L | 98 | Very high | 96.2 | Very high | 19 Ų | 19 | 58.1 Ų | 58.1 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 178 | 174.4 | 58.3 | 0 | 0 | 0 | 111.8 | E205 E206 T209 H246 S248 V253 R254 | E205-L250 HydrophobicContact CB-CD1 4.16Å; E205-L250 HydrophobicContact CG-CB 4.04Å; E205-L250 HydrophobicContact CG-CD1 4.01Å; E206-L250 HydrophobicContact CB-CD1 4.44Å; E206-L250 HydrophobicContact CG-CD1 3.54Å; E206-L250 HydrophobicContact CG-CD2 4.11Å; E206-L250 HydrophobicContact CG-CG 4.44Å; T209-L250 HydrophobicContact CG2-CD2 4.25Å; H246-L250 VanDerWaalsContact O-CB 3.26Å; H246-L250 WeakPolarHBondContact O-CB 3.48Å; H246-L250 PolarHBondContact O-N 3.24Å; S248-L250 PolarHBondContact O-N 3.4Å; L250-V253 PolarHBondContact O-N 2.87Å; L250-R254 HydrophobicContact CD1-CG 4.01Å; L250-R254 VanDerWaalsContact O-CB 3.3Å; L250-R254 WeakPolarHBondContact O-CB 3.29Å; L250-R254 VanDerWaalsContact O-CG 3.29Å; L250-R254 WeakPolarHBondContact O-CG 3.2Å; L250-R254 PolarHBondContact O-N 3.37Å |
| 251 | E | 97.5 | Very high | 95.8 | Very high | 140 Ų | 140 | 55.7 Ų | 55.7 | 65% | 0.654 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.4 | -46.4 | 176.5 | -171.7 | 175.4 | -176.7 | 0 | 0 | 111.4 | H247 S248 L249 R254 N255 | H247-E251 PolarHBondContact O-N 3.38Å; H247-E251 VanDerWaalsContact O-N 3.13Å; S248-E251 PolarHBondContact O-N 2.98Å; L249-E251 VanDerWaalsContact C-N 3.34Å; L249-E251 PolarHBondContact O-N 3.36Å; E251-R254 PolarHBondContact O-N 2.72Å; E251-N255 VanDerWaalsContact O-CB 3.3Å; E251-N255 WeakPolarHBondContact O-CB 3.39Å; E251-N255 PolarHBondContact O-N 2.81Å |
| 252 | D | 97.7 | Very high | 95.4 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 34% | 0.337 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 179 | -72 | -30.9 | 0 | 0 | 0 | 112.5 | S248 L249 N255 S256 V268 Y272 | S248-D252 PolarHBondContact O-N 2.81Å; L249-D252 PolarHBondContact O-N 2.94Å; D252-N255 PolarHBondContact O-N 3.13Å; D252-S256 VanDerWaalsContact O-CB 3.3Å; D252-S256 WeakPolarHBondContact O-CB 3.2Å; D252-S256 PolarHBondContact O-N 3.28Å; D252-V268 HydrophobicContact CB-CG1 3.78Å; D252-V268 HydrophobicContact CB-CG2 4.29Å; D252-Y272 HydrophobicContact CB-CE2 4.35Å; D252-Y272 WeakPolarHBondContact OD2-CE2 3.29Å; D252-Y272 PolarHBondContact OD2-OH 3.48Å |
| 253 | V | 97 | Very high | 95.1 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 174.2 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | I201 L249 L250 N255 S256 I257 L265 V268 F269 | I201-V253 HydrophobicContact CG2-CG1 4.16Å; L249-V253 HydrophobicContact CD1-CG2 3.93Å; L249-V253 HydrophobicContact CG-CG2 4.25Å; L249-V253 WeakPolarHBondContact O-CB 3.41Å; L249-V253 VanDerWaalsContact O-CG2 3.24Å; L249-V253 WeakPolarHBondContact O-CG2 3.3Å; L249-V253 PolarHBondContact O-N 3.45Å; L250-V253 PolarHBondContact O-N 2.87Å; V253-N255 PolarHBondContact O-N 3.49Å; V253-S256 PolarHBondContact O-N 3.11Å; V253-I257 HydrophobicContact CG1-CD1 3.78Å; V253-I257 WeakPolarHBondContact O-CG1 3.25Å; V253-I257 PolarHBondContact O-N 2.84Å; V253-L265 HydrophobicContact CG1-CD1 4.33Å; V253-L265 HydrophobicContact CG2-CD1 4.21Å; V253-V268 HydrophobicContact CG2-CG1 4.25Å; V253-F269 HydrophobicContact CG2-CZ 4.46Å |
| 254 | R | 96.6 | Very high | 94.9 | Very high | 115 Ų | 115 | 60.7 Ų | 60.7 | 43% | 0.434 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 175.7 | -81.4 | 177.9 | 141.4 | -171.6 | -8.2 | 111.6 | R202 E206 L250 E251 S256 I257 L258 | R202-R254 HydrophobicContact CG-CG 4.06Å; E206-R254 IonicContact OE1-CZ 2.73Å; E206-R254 IonicContact OE1-NE 2.67Å; E206-R254 PolarHBondContact OE1-NE 3.34Å; E206-R254 IonicContact OE1-NH2 3.6Å; E206-R254 PolarHBondContact OE1-NH2 3.15Å; L250-R254 HydrophobicContact CD1-CG 4.01Å; L250-R254 VanDerWaalsContact O-CB 3.3Å; L250-R254 WeakPolarHBondContact O-CB 3.29Å; L250-R254 VanDerWaalsContact O-CG 3.29Å; L250-R254 WeakPolarHBondContact O-CG 3.2Å; L250-R254 PolarHBondContact O-N 3.37Å; E251-R254 PolarHBondContact O-N 2.72Å; R254-S256 VanDerWaalsContact C-N 3.35Å; R254-S256 PolarHBondContact O-N 2.94Å; R254-I257 PolarHBondContact O-N 3.26Å; R254-L258 VanDerWaalsContact O-CB 3.29Å; R254-L258 WeakPolarHBondContact O-CB 3.38Å; R254-L258 WeakPolarHBondContact O-CG 3.23Å; R254-L258 PolarHBondContact O-N 3.29Å |
| 255 | N | 96.3 | Very high | 94.8 | Very high | 64 Ų | 64 | 53 Ų | 53 | 34% | 0.342 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 178.9 | -175.1 | 29.3 | 0 | 0 | 0 | 112.2 | E251 D252 V253 N259 H260 | E251-N255 VanDerWaalsContact O-CB 3.3Å; E251-N255 WeakPolarHBondContact O-CB 3.39Å; E251-N255 PolarHBondContact O-N 2.81Å; D252-N255 PolarHBondContact O-N 3.13Å; V253-N255 PolarHBondContact O-N 3.49Å; N255-N259 WeakPolarHBondContact O-CB 3.43Å; N255-N259 PolarHBondContact O-N 3.09Å; N255-N259 PolarHBondContact OD1-ND2 3.13Å; N255-H260 PolarHBondContact O-ND1 2.99Å |
| 256 | S | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.8 | -50.8 | 174.6 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | D252 V253 R254 H260 G261 A262 N264 L265 | D252-S256 VanDerWaalsContact O-CB 3.3Å; D252-S256 WeakPolarHBondContact O-CB 3.2Å; D252-S256 PolarHBondContact O-N 3.28Å; V253-S256 PolarHBondContact O-N 3.11Å; R254-S256 VanDerWaalsContact C-N 3.35Å; R254-S256 PolarHBondContact O-N 2.94Å; S256-H260 CarbonylContact O-C 3.5Å; S256-H260 WeakPolarHBondContact O-CA 3.34Å; S256-H260 WeakPolarHBondContact O-CB 3.25Å; S256-H260 PolarHBondContact O-N 3.43Å; S256-H260 VanDerWaalsContact O-N 3.15Å; S256-G261 PolarHBondContact O-N 2.91Å; S256-A262 PolarHBondContact O-N 3.43Å; S256-N264 WeakPolarHBondContact CB-OD1 3.42Å; S256-N264 PolarHBondContact OG-OD1 3.39Å; S256-L265 WeakPolarHBondContact OG-CA 3.37Å; S256-L265 WeakPolarHBondContact OG-CB 3.39Å; S256-L265 PolarHBondContact OG-N 2.89Å |
| 257 | I | 93.9 | Very high | 94.6 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.5 | -48 | -176.8 | -65.8 | 169.4 | 0 | 0 | 0 | 111.4 | L198 R202 V253 R254 A262 | L198-I257 HydrophobicContact CB-CD1 4.41Å; L198-I257 HydrophobicContact CD2-CG1 4.4Å; L198-I257 WeakPolarHBondContact O-CD1 3.42Å; R202-I257 HydrophobicContact CB-CD1 3.94Å; V253-I257 HydrophobicContact CG1-CD1 3.78Å; V253-I257 WeakPolarHBondContact O-CG1 3.25Å; V253-I257 PolarHBondContact O-N 2.84Å; R254-I257 PolarHBondContact O-N 3.26Å; I257-A262 HydrophobicContact CG1-CB 4.34Å |
| 258 | L | 91.4 | Very high | 94.6 | Very high | 111 Ų | 111 | 55.1 Ų | 55.1 | 58% | 0.581 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -79.2 | -40.4 | -172.3 | -64 | 172.1 | 0 | 0 | 0 | 113.4 | R254 | R254-L258 VanDerWaalsContact O-CB 3.29Å; R254-L258 WeakPolarHBondContact O-CB 3.38Å; R254-L258 WeakPolarHBondContact O-CG 3.23Å; R254-L258 PolarHBondContact O-N 3.29Å |
| 259 | N | 90.1 | Very high | 94.5 | Very high | 120 Ų | 120 | 53.5 Ų | 53.5 | 64% | 0.642 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -104.3 | -22.3 | -170.8 | -60.1 | -34.1 | 0 | 0 | 0 | 113.6 | N255 | N255-N259 WeakPolarHBondContact O-CB 3.43Å; N255-N259 PolarHBondContact O-N 3.09Å; N255-N259 PolarHBondContact OD1-ND2 3.13Å |
| 260 | H | 87.5 | Confident | 94.3 | Very high | 90 Ų | 90 | 56.2 Ų | 56.2 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -119.4 | 8.8 | -175.3 | -56.2 | 84.8 | 0 | 0 | 0 | 113.3 | N255 S256 A262 Q263 N264 | N255-H260 PolarHBondContact O-ND1 2.99Å; S256-H260 CarbonylContact O-C 3.5Å; S256-H260 WeakPolarHBondContact O-CA 3.34Å; S256-H260 WeakPolarHBondContact O-CB 3.25Å; S256-H260 PolarHBondContact O-N 3.43Å; S256-H260 VanDerWaalsContact O-N 3.15Å; H260-A262 PolarHBondContact O-N 3.07Å; H260-A262 VanDerWaalsContact O-N 3.16Å; H260-Q263 PolarHBondContact O-N 3.46Å; H260-N264 WeakPolarHBondContact CB-OD1 3.45Å |
| 261 | G | 87.4 | Confident | 94.2 | Very high | 48 Ų | 48 | 60 Ų | 60 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 28 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S256 Q263 | S256-G261 PolarHBondContact O-N 2.91Å; G261-Q263 PolarHBondContact O-N 3.02Å |
| 262 | A | 90.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 10 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | L198 S256 I257 H260 N264 L265 | L198-A262 HydrophobicContact CD1-CB 3.73Å; L198-A262 HydrophobicContact CD2-CB 3.63Å; L198-A262 HydrophobicContact CG-CB 4.36Å; S256-A262 PolarHBondContact O-N 3.43Å; I257-A262 HydrophobicContact CG1-CB 4.34Å; H260-A262 PolarHBondContact O-N 3.07Å; H260-A262 VanDerWaalsContact O-N 3.16Å; A262-N264 VanDerWaalsContact C-N 3.25Å; A262-N264 PolarHBondContact O-N 2.96Å; A262-L265 HydrophobicContact CB-CB 4.3Å; A262-L265 HydrophobicContact CB-CD2 4.44Å; A262-L265 VanDerWaalsContact O-CB 3.25Å; A262-L265 WeakPolarHBondContact O-CB 3.26Å; A262-L265 PolarHBondContact O-N 3.26Å; A262-L265 VanDerWaalsContact O-N 3.14Å |
| 263 | Q | 90.3 | Very high | 93.7 | Very high | 147 Ų | 147 | 51.7 Ų | 51.7 | 69% | 0.687 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27 | -178.1 | -68.1 | -175.3 | -12.5 | 0 | 0 | 113.9 | H260 G261 Y266 | H260-Q263 PolarHBondContact O-N 3.46Å; G261-Q263 PolarHBondContact O-N 3.02Å; Q263-Y266 WeakPolarHBondContact O-CD1 3.47Å; Q263-Y266 VanDerWaalsContact O-CE1 3.28Å; Q263-Y266 WeakPolarHBondContact O-CE1 3.38Å |
| 264 | N | 94.6 | Very high | 93.1 | Very high | 54 Ų | 54 | 57.6 Ų | 57.6 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 9.1 | 178 | 67.3 | -31.5 | 0 | 0 | 0 | 113.1 | S256 H260 A262 Y266 Q267 V268 | S256-N264 WeakPolarHBondContact CB-OD1 3.42Å; S256-N264 PolarHBondContact OG-OD1 3.39Å; H260-N264 WeakPolarHBondContact CB-OD1 3.45Å; A262-N264 VanDerWaalsContact C-N 3.25Å; A262-N264 PolarHBondContact O-N 2.96Å; N264-Y266 VanDerWaalsContact C-N 3.31Å; N264-Y266 PolarHBondContact O-N 3.08Å; N264-Q267 WeakPolarHBondContact O-CB 3.43Å; N264-Q267 PolarHBondContact O-N 3.41Å; N264-Q267 VanDerWaalsContact O-N 3.12Å; N264-V268 PolarHBondContact O-N 2.89Å |
| 265 | L | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -40.4 | -176.7 | -174.7 | 64 | 0 | 0 | 0 | 112.4 | L198 I201 V253 S256 A262 Q267 V268 F269 L342 | L198-L265 HydrophobicContact CD2-CD2 3.66Å; I201-L265 HydrophobicContact CD1-CD2 4.49Å; V253-L265 HydrophobicContact CG1-CD1 4.33Å; V253-L265 HydrophobicContact CG2-CD1 4.21Å; S256-L265 WeakPolarHBondContact OG-CA 3.37Å; S256-L265 WeakPolarHBondContact OG-CB 3.39Å; S256-L265 PolarHBondContact OG-N 2.89Å; A262-L265 HydrophobicContact CB-CB 4.3Å; A262-L265 HydrophobicContact CB-CD2 4.44Å; A262-L265 VanDerWaalsContact O-CB 3.25Å; A262-L265 WeakPolarHBondContact O-CB 3.26Å; A262-L265 PolarHBondContact O-N 3.26Å; A262-L265 VanDerWaalsContact O-N 3.14Å; L265-Q267 VanDerWaalsContact C-N 3.26Å; L265-Q267 PolarHBondContact O-N 2.75Å; L265-V268 WeakPolarHBondContact O-CB 3.32Å; L265-V268 PolarHBondContact O-N 2.77Å; L265-V268 VanDerWaalsContact O-N 3.13Å; L265-F269 HydrophobicContact CD1-CD2 4.38Å; L265-F269 HydrophobicContact CD1-CE2 3.86Å; L265-F269 HydrophobicContact CD2-CE2 4.41Å; L265-F269 HydrophobicContact CG-CD2 4.21Å; L265-F269 HydrophobicContact CG-CE2 3.9Å; L265-F269 WeakPolarHBondContact O-CD2 3.48Å; L265-F269 PolarHBondContact O-N 3.03Å; L265-L342 HydrophobicContact CD2-CD2 3.92Å |
| 266 | Y | 96 | Very high | 92.6 | Very high | 49 Ų | 49 | 54 Ų | 54 | 19% | 0.192 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.3 | -40 | 176.4 | 76.1 | -79.4 | 0 | 0 | 0 | 112.4 | Q263 N264 V268 F269 I270 N354 | Q263-Y266 WeakPolarHBondContact O-CD1 3.47Å; Q263-Y266 VanDerWaalsContact O-CE1 3.28Å; Q263-Y266 WeakPolarHBondContact O-CE1 3.38Å; N264-Y266 VanDerWaalsContact C-N 3.31Å; N264-Y266 PolarHBondContact O-N 3.08Å; Y266-V268 VanDerWaalsContact C-N 3.31Å; Y266-V268 PolarHBondContact O-N 3.45Å; Y266-F269 PolarHBondContact O-N 3.17Å; Y266-I270 HydrophobicContact CD2-CD1 3.8Å; Y266-I270 HydrophobicContact CE2-CD1 4.35Å; Y266-I270 WeakPolarHBondContact O-CG1 3.38Å; Y266-I270 PolarHBondContact O-N 3.42Å; Y266-N354 WeakPolarHBondContact CB-O 3.49Å; Y266-N354 HydrophobicContact CD1-CB 3.59Å; Y266-N354 HydrophobicContact CD2-CB 3.9Å; Y266-N354 WeakPolarHBondContact CD2-O 3.28Å; Y266-N354 HydrophobicContact CE1-CB 3.67Å; Y266-N354 HydrophobicContact CE2-CB 4Å; Y266-N354 HydrophobicContact CG-CB 3.7Å |
| 267 | Q | 96.3 | Very high | 92 | Very high | 73 Ų | 73 | 55.3 Ų | 55.3 | 34% | 0.341 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68 | -33.8 | -179.7 | -170.5 | 64.9 | 63.2 | 0 | 0 | 111.2 | N264 L265 I270 N271 | N264-Q267 WeakPolarHBondContact O-CB 3.43Å; N264-Q267 PolarHBondContact O-N 3.41Å; N264-Q267 VanDerWaalsContact O-N 3.12Å; L265-Q267 VanDerWaalsContact C-N 3.26Å; L265-Q267 PolarHBondContact O-N 2.75Å; Q267-I270 PolarHBondContact O-N 3.35Å; Q267-N271 PolarHBondContact NE2-OD1 3.14Å; Q267-N271 WeakPolarHBondContact O-CB 3.36Å; Q267-N271 PolarHBondContact O-N 3.3Å; Q267-N271 PolarHBondContact O-ND2 3.37Å; Q267-N271 PolarHBondContact O-OD1 3.33Å |
| 268 | V | 97.4 | Very high | 91.6 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.4 | -53.9 | 172.2 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | L249 D252 V253 N264 L265 Y266 I270 N271 Y272 | L249-V268 HydrophobicContact CD1-CG1 3.74Å; D252-V268 HydrophobicContact CB-CG1 3.78Å; D252-V268 HydrophobicContact CB-CG2 4.29Å; V253-V268 HydrophobicContact CG2-CG1 4.25Å; N264-V268 PolarHBondContact O-N 2.89Å; L265-V268 WeakPolarHBondContact O-CB 3.32Å; L265-V268 PolarHBondContact O-N 2.77Å; L265-V268 VanDerWaalsContact O-N 3.13Å; Y266-V268 VanDerWaalsContact C-N 3.31Å; Y266-V268 PolarHBondContact O-N 3.45Å; V268-I270 PolarHBondContact O-N 3.09Å; V268-N271 PolarHBondContact O-N 2.69Å; V268-N271 VanDerWaalsContact O-N 3.14Å; V268-Y272 HydrophobicContact CG1-CD2 3.99Å; V268-Y272 HydrophobicContact CG1-CE2 4.1Å; V268-Y272 VanDerWaalsContact O-CD2 3.29Å; V268-Y272 WeakPolarHBondContact O-CD2 3.26Å; V268-Y272 PolarHBondContact O-N 3.16Å |
| 269 | F | 96.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 180 | -74.7 | -72.9 | 0 | 0 | 0 | 113.5 | I201 V253 L265 Y266 N271 Y272 K273 Y335 L339 M362 | I201-F269 HydrophobicContact CG2-CZ 4.24Å; V253-F269 HydrophobicContact CG2-CZ 4.46Å; L265-F269 HydrophobicContact CD1-CD2 4.38Å; L265-F269 HydrophobicContact CD1-CE2 3.86Å; L265-F269 HydrophobicContact CD2-CE2 4.41Å; L265-F269 HydrophobicContact CG-CD2 4.21Å; L265-F269 HydrophobicContact CG-CE2 3.9Å; L265-F269 WeakPolarHBondContact O-CD2 3.48Å; L265-F269 PolarHBondContact O-N 3.03Å; Y266-F269 PolarHBondContact O-N 3.17Å; F269-N271 PolarHBondContact O-N 3.3Å; F269-Y272 PolarHBondContact O-N 3.32Å; F269-K273 PolarHBondContact O-N 2.82Å; F269-Y335 HydrophobicContact CD1-CD1 4.49Å; F269-Y335 AromaticContact CE1-CD1 3.59Å; F269-Y335 HydrophobicContact CE1-CD1 3.59Å; F269-Y335 AromaticContact CE1-CE1 3.94Å; F269-Y335 HydrophobicContact CE1-CE1 3.94Å; F269-Y335 HydrophobicContact CE1-CG 4.3Å; F269-Y335 HydrophobicContact CZ-CD1 4.25Å; F269-L339 HydrophobicContact CB-CD1 4.4Å; F269-L339 HydrophobicContact CD2-CD1 4.05Å; F269-L339 HydrophobicContact CD2-CD2 3.95Å; F269-L339 HydrophobicContact CD2-CG 4.48Å; F269-L339 HydrophobicContact CE2-CD1 4.48Å; F269-L339 HydrophobicContact CE2-CD2 3.86Å; F269-L339 HydrophobicContact CE2-CG 4.47Å; F269-L339 HydrophobicContact CG-CD1 4.07Å; F269-M362 HydrophobicContact CB-CE 4.22Å; F269-M362 HydrophobicContact CB-CG 4.28Å; F269-M362 HydrophobicContact CB-SD 4.35Å; F269-M362 HydrophobicContact CD1-CG 4.09Å; F269-M362 HydrophobicContact CD1-SD 3.74Å; F269-M362 HydrophobicContact CG-CG 4.41Å; F269-M362 HydrophobicContact CG-SD 4.45Å; F269-M362 VanDerWaalsContact O-CE 3.26Å; F269-M362 WeakPolarHBondContact O-CE 3.39Å |
| 270 | I | 94.1 | Very high | 91 | Very high | 57 Ų | 57 | 47 Ų | 47 | 29% | 0.292 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 174 | -68.6 | 169.9 | 0 | 0 | 0 | 110.7 | Y266 Q267 V268 Y272 K273 A357 A361 | Y266-I270 HydrophobicContact CD2-CD1 3.8Å; Y266-I270 HydrophobicContact CE2-CD1 4.35Å; Y266-I270 WeakPolarHBondContact O-CG1 3.38Å; Y266-I270 PolarHBondContact O-N 3.42Å; Q267-I270 PolarHBondContact O-N 3.35Å; V268-I270 PolarHBondContact O-N 3.09Å; I270-Y272 VanDerWaalsContact C-N 3.3Å; I270-Y272 PolarHBondContact O-N 3.29Å; I270-K273 WeakPolarHBondContact O-CB 3.24Å; I270-K273 PolarHBondContact O-N 2.65Å; I270-A357 HydrophobicContact CD1-CB 4.1Å; I270-A361 HydrophobicContact CG1-CB 4.15Å |
| 271 | N | 94.2 | Very high | 90.7 | Very high | 97 Ų | 97 | 46.6 Ų | 46.6 | 52% | 0.519 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67 | -30.3 | -179.2 | -68.5 | -9 | 0 | 0 | 0 | 112.9 | Q267 V268 F269 | Q267-N271 PolarHBondContact NE2-OD1 3.14Å; Q267-N271 WeakPolarHBondContact O-CB 3.36Å; Q267-N271 PolarHBondContact O-N 3.3Å; Q267-N271 PolarHBondContact O-ND2 3.37Å; Q267-N271 PolarHBondContact O-OD1 3.33Å; V268-N271 PolarHBondContact O-N 2.69Å; V268-N271 VanDerWaalsContact O-N 3.14Å; F269-N271 PolarHBondContact O-N 3.3Å |
| 272 | Y | 95.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -87.3 | -13.2 | 179.1 | -83.8 | -100.6 | 0 | 0 | 0 | 113.8 | T245 S248 L249 D252 V268 F269 I270 E274 R275 L276 | T245-Y272 HydrophobicContact CG2-CD1 4.14Å; T245-Y272 HydrophobicContact CG2-CE1 4.32Å; S248-Y272 WeakPolarHBondContact CB-OH 3.41Å; S248-Y272 PolarHBondContact O-OH 3.32Å; L249-Y272 HydrophobicContact CB-CD1 3.88Å; L249-Y272 HydrophobicContact CB-CE1 3.68Å; L249-Y272 HydrophobicContact CB-CG 4.48Å; L249-Y272 HydrophobicContact CD1-CD1 4.02Å; L249-Y272 HydrophobicContact CD1-CD2 3.85Å; L249-Y272 HydrophobicContact CD1-CE1 4.36Å; L249-Y272 HydrophobicContact CD1-CE2 4.2Å; L249-Y272 HydrophobicContact CD1-CG 3.75Å; L249-Y272 HydrophobicContact CG-CD1 4.4Å; L249-Y272 PolarHBondContact N-OH 3.11Å; D252-Y272 HydrophobicContact CB-CE2 4.35Å; D252-Y272 WeakPolarHBondContact OD2-CE2 3.29Å; D252-Y272 PolarHBondContact OD2-OH 3.48Å; V268-Y272 HydrophobicContact CG1-CD2 3.99Å; V268-Y272 HydrophobicContact CG1-CE2 4.1Å; V268-Y272 VanDerWaalsContact O-CD2 3.29Å; V268-Y272 WeakPolarHBondContact O-CD2 3.26Å; V268-Y272 PolarHBondContact O-N 3.16Å; F269-Y272 PolarHBondContact O-N 3.32Å; I270-Y272 VanDerWaalsContact C-N 3.3Å; I270-Y272 PolarHBondContact O-N 3.29Å; Y272-E274 VanDerWaalsContact C-N 3.33Å; Y272-E274 PolarHBondContact O-N 3.37Å; Y272-R275 HydrophobicContact CD1-CB 4.43Å; Y272-R275 VanDerWaalsContact CE1-CZ 3.43Å; Y272-R275 CarbonylContact O-C 3.56Å; Y272-R275 PolarHBondContact O-N 3.42Å; Y272-R275 PolarHBondContact OH-NH1 2.93Å; Y272-L276 WeakPolarHBondContact O-CB 3.26Å; Y272-L276 VanDerWaalsContact O-CG 3.26Å; Y272-L276 WeakPolarHBondContact O-CG 3.48Å; Y272-L276 PolarHBondContact O-N 3.11Å |
| 273 | K | 89.5 | Confident | 90.4 | Very high | 22 Ų | 22 | 44.5 Ų | 44.5 | 10% | 0.096 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46 | -53.2 | 179.3 | -177.3 | -169.4 | 179.2 | -178.9 | 0 | 113 | F269 I270 L276 A361 M362 D364 | F269-K273 PolarHBondContact O-N 2.82Å; I270-K273 WeakPolarHBondContact O-CB 3.24Å; I270-K273 PolarHBondContact O-N 2.65Å; K273-L276 PolarHBondContact O-N 3.29Å; K273-A361 HydrophobicContact CD-CB 4.05Å; K273-M362 HydrophobicContact CB-CE 4.09Å; K273-M362 HydrophobicContact CG-CE 4.49Å; K273-D364 WeakPolarHBondContact CE-OD2 3.44Å; K273-D364 IonicContact NZ-OD2 3.12Å; K273-D364 PolarHBondContact NZ-OD2 3.4Å |
| 274 | E | 85.2 | Confident | 89.8 | Confident | 125 Ų | 125 | 38.7 Ų | 38.7 | 58% | 0.584 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -37.9 | -179.2 | -67.2 | -178.6 | 176.2 | 0 | 0 | 112.2 | Y272 L276 L277 | Y272-E274 VanDerWaalsContact C-N 3.33Å; Y272-E274 PolarHBondContact O-N 3.37Å; E274-L276 PolarHBondContact O-N 3.42Å; E274-L277 VanDerWaalsContact O-CB 3.32Å; E274-L277 WeakPolarHBondContact O-CB 3.42Å; E274-L277 WeakPolarHBondContact O-CG 3.18Å; E274-L277 PolarHBondContact O-N 3.33Å; E274-L277 VanDerWaalsContact O-N 3.08Å |
| 275 | R | 90.6 | Very high | 89.2 | Confident | 102 Ų | 102 | 39.5 Ų | 39.5 | 39% | 0.385 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -64.6 | -31.5 | 177.3 | -63.9 | 178 | 63.5 | -173.2 | -4.4 | 111.9 | T245 Y272 L277 L278 | T245-R275 HydrophobicContact CG2-CB 4.12Å; Y272-R275 HydrophobicContact CD1-CB 4.43Å; Y272-R275 VanDerWaalsContact CE1-CZ 3.43Å; Y272-R275 CarbonylContact O-C 3.56Å; Y272-R275 PolarHBondContact O-N 3.42Å; Y272-R275 PolarHBondContact OH-NH1 2.93Å; R275-L277 PolarHBondContact O-N 2.8Å; R275-L278 VanDerWaalsContact O-CD1 3.29Å; R275-L278 WeakPolarHBondContact O-CD1 3.17Å; R275-L278 WeakPolarHBondContact O-CG 3.35Å |
| 276 | L | 91.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -78.6 | -1.1 | 176.7 | -64.9 | 168.4 | 0 | 0 | 0 | 112.6 | T245 Y272 K273 E274 L278 Y279 M362 L365 | T245-L276 HydrophobicContact CG2-CD2 4.28Å; Y272-L276 WeakPolarHBondContact O-CB 3.26Å; Y272-L276 VanDerWaalsContact O-CG 3.26Å; Y272-L276 WeakPolarHBondContact O-CG 3.48Å; Y272-L276 PolarHBondContact O-N 3.11Å; K273-L276 PolarHBondContact O-N 3.29Å; E274-L276 PolarHBondContact O-N 3.42Å; L276-L278 PolarHBondContact O-N 2.96Å; L276-L278 VanDerWaalsContact O-N 3.16Å; L276-Y279 HydrophobicContact CB-CD2 4.26Å; L276-Y279 HydrophobicContact CD2-CD2 4.21Å; L276-Y279 HydrophobicContact CD2-CE2 3.73Å; L276-Y279 WeakPolarHBondContact O-CB 3.29Å; L276-Y279 VanDerWaalsContact O-CD2 3.23Å; L276-Y279 WeakPolarHBondContact O-CD2 3.43Å; L276-Y279 PolarHBondContact O-N 2.71Å; L276-Y279 VanDerWaalsContact O-N 3.09Å; L276-M362 HydrophobicContact CD1-CE 4.48Å; L276-M362 HydrophobicContact CD1-SD 4.36Å; L276-L365 HydrophobicContact CB-CD1 4.11Å; L276-L365 HydrophobicContact CB-CD2 3.61Å; L276-L365 HydrophobicContact CD1-CD2 3.76Å; L276-L365 HydrophobicContact CG-CD2 4.33Å |
| 277 | L | 83.4 | Confident | 87.8 | Confident | 28 Ų | 28 | 39.3 Ų | 39.3 | 15% | 0.147 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -69.5 | -10.4 | 173 | -64.1 | 171.1 | 0 | 0 | 0 | 113.7 | E274 R275 Y279 G280 L365 C368 T526 L535 | E274-L277 VanDerWaalsContact O-CB 3.32Å; E274-L277 WeakPolarHBondContact O-CB 3.42Å; E274-L277 WeakPolarHBondContact O-CG 3.18Å; E274-L277 PolarHBondContact O-N 3.33Å; E274-L277 VanDerWaalsContact O-N 3.08Å; R275-L277 PolarHBondContact O-N 2.8Å; L277-Y279 PolarHBondContact O-N 2.98Å; L277-Y279 VanDerWaalsContact O-N 3.11Å; L277-G280 PolarHBondContact O-N 2.91Å; L277-L365 HydrophobicContact CD2-CD1 3.81Å; L277-C368 HydrophobicContact CD2-CB 4.32Å; L277-T526 HydrophobicContact CD1-CG2 3.19Å; L277-L535 HydrophobicContact CD1-CD1 3.77Å; L277-L535 HydrophobicContact CD1-CD2 3.95Å; L277-L535 HydrophobicContact CD2-CD1 3.52Å; L277-L535 HydrophobicContact CG-CD1 4.14Å |
| 278 | L | 86.8 | Confident | 87.1 | Confident | 62 Ų | 62 | 38.8 Ų | 38.8 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -53 | -25.8 | 165.7 | -65.8 | 168 | 0 | 0 | 0 | 112.5 | N238 E241 L242 R275 L276 G280 H281 Y282 | N238-L278 PolarHBondContact ND2-O 2.75Å; E241-L278 HydrophobicContact CB-CD1 4.27Å; L242-L278 HydrophobicContact CD2-CB 3.95Å; R275-L278 VanDerWaalsContact O-CD1 3.29Å; R275-L278 WeakPolarHBondContact O-CD1 3.17Å; R275-L278 WeakPolarHBondContact O-CG 3.35Å; L276-L278 PolarHBondContact O-N 2.96Å; L276-L278 VanDerWaalsContact O-N 3.16Å; L278-G280 VanDerWaalsContact C-N 3.28Å; L278-G280 PolarHBondContact O-N 3.25Å; L278-H281 PolarHBondContact O-N 3.04Å; L278-Y282 PolarHBondContact O-N 3.2Å |
| 279 | Y | 88.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.9 | -28.6 | 173.5 | -82.3 | -83.3 | 0 | 0 | 0 | 113.6 | Y208 L242 H246 L276 L277 H281 Y282 C283 P328 V332 | Y208-Y279 WeakPolarHBondContact CE1-OH 3.33Å; Y208-Y279 PolarHBondContact OH-OH 3.38Å; L242-Y279 HydrophobicContact CD1-CD1 4.5Å; L242-Y279 HydrophobicContact CD1-CE1 4.2Å; L242-Y279 HydrophobicContact CD2-CD1 4.37Å; L242-Y279 HydrophobicContact CD2-CD2 3.84Å; L242-Y279 HydrophobicContact CD2-CE1 4.24Å; L242-Y279 HydrophobicContact CD2-CE2 3.7Å; L242-Y279 HydrophobicContact CD2-CG 4.19Å; H246-Y279 PolarHBondContact CE1-OH 3.46Å; H246-Y279 AromaticContact NE2-CE2 3.29Å; H246-Y279 VanDerWaalsContact NE2-CE2 3.29Å; H246-Y279 WeakPolarHBondContact NE2-CE2 3.39Å; H246-Y279 AromaticContact NE2-CZ 3.41Å; H246-Y279 PolarHBondContact NE2-OH 2.81Å; L276-Y279 HydrophobicContact CB-CD2 4.26Å; L276-Y279 HydrophobicContact CD2-CD2 4.21Å; L276-Y279 HydrophobicContact CD2-CE2 3.73Å; L276-Y279 WeakPolarHBondContact O-CB 3.29Å; L276-Y279 VanDerWaalsContact O-CD2 3.23Å; L276-Y279 WeakPolarHBondContact O-CD2 3.43Å; L276-Y279 PolarHBondContact O-N 2.71Å; L276-Y279 VanDerWaalsContact O-N 3.09Å; L277-Y279 PolarHBondContact O-N 2.98Å; L277-Y279 VanDerWaalsContact O-N 3.11Å; Y279-H281 VanDerWaalsContact C-N 3.32Å; Y279-H281 PolarHBondContact O-N 3.23Å; Y279-Y282 PolarHBondContact O-N 2.89Å; Y279-C283 VanDerWaalsContact O-CB 3.31Å; Y279-C283 WeakPolarHBondContact O-CB 3.32Å; Y279-C283 PolarHBondContact O-N 3.24Å; Y279-C283 PolarHBondContact O-SG 3.43Å; Y279-P328 HydrophobicContact CE1-CB 3.73Å; Y279-P328 WeakPolarHBondContact CE1-O 3.36Å; Y279-V332 HydrophobicContact CD1-CB 3.89Å; Y279-V332 HydrophobicContact CD1-CG1 3.88Å; Y279-V332 HydrophobicContact CD1-CG2 4.43Å; Y279-V332 HydrophobicContact CD2-CB 4.22Å; Y279-V332 HydrophobicContact CD2-CG2 4.05Å; Y279-V332 HydrophobicContact CE1-CB 3.98Å; Y279-V332 HydrophobicContact CE1-CG1 4.27Å; Y279-V332 HydrophobicContact CE2-CB 4.32Å; Y279-V332 HydrophobicContact CE2-CG2 4.45Å; Y279-V332 HydrophobicContact CG-CB 3.99Å; Y279-V332 HydrophobicContact CG-CG1 4.21Å; Y279-V332 HydrophobicContact CG-CG2 4.02Å |
| 280 | G | 78.8 | Confident | 86.1 | Confident | 10 Ų | 10 | 38.3 Ų | 38.3 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.4 | -46.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L277 L278 S284 V372 | L277-G280 PolarHBondContact O-N 2.91Å; L278-G280 VanDerWaalsContact C-N 3.28Å; L278-G280 PolarHBondContact O-N 3.25Å; G280-S284 WeakPolarHBondContact O-CB 3.27Å; G280-S284 PolarHBondContact O-N 2.99Å; G280-S284 VanDerWaalsContact O-N 3.1Å; G280-S284 PolarHBondContact O-OG 3.16Å; G280-V372 VanDerWaalsContact O-CG1 3.23Å; G280-V372 WeakPolarHBondContact O-CG1 3.23Å |
| 281 | H | 81.5 | Confident | 85.6 | Confident | 80 Ų | 80 | 39.3 Ų | 39.3 | 37% | 0.37 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.7 | -45.8 | 175.3 | -176 | 58.1 | 0 | 0 | 0 | 111.8 | L278 Y279 S284 Q285 | L278-H281 PolarHBondContact O-N 3.04Å; Y279-H281 VanDerWaalsContact C-N 3.32Å; Y279-H281 PolarHBondContact O-N 3.23Å; H281-S284 PolarHBondContact O-N 3.44Å; H281-S284 PolarHBondContact O-OG 3.15Å; H281-Q285 VanDerWaalsContact CE1-CD 3.43Å; H281-Q285 PolarHBondContact CE1-NE2 3.18Å; H281-Q285 PolarHBondContact O-N 3.44Å |
| 282 | Y | 87.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.1 | -55.4 | 179 | -167.5 | -94.7 | 0 | 0 | 0 | 112.4 | I237 N238 I239 L242 L278 Y279 S284 Q285 V286 L325 P328 | I237-Y282 HydrophobicContact CB-CD2 4.1Å; I237-Y282 HydrophobicContact CB-CE2 4.39Å; I237-Y282 HydrophobicContact CD1-CD2 4Å; I237-Y282 HydrophobicContact CD1-CE2 4.02Å; I237-Y282 HydrophobicContact CG2-CD2 4.42Å; N238-Y282 WeakPolarHBondContact OD1-CB 3.33Å; N238-Y282 WeakPolarHBondContact OD1-CD2 3.34Å; I239-Y282 HydrophobicContact CB-CE2 4.34Å; I239-Y282 HydrophobicContact CD1-CE2 3.71Å; L242-Y282 HydrophobicContact CD1-CD1 4.34Å; L242-Y282 HydrophobicContact CD1-CD2 3.63Å; L242-Y282 HydrophobicContact CD1-CE2 4.16Å; L242-Y282 HydrophobicContact CD1-CG 3.72Å; L278-Y282 PolarHBondContact O-N 3.2Å; Y279-Y282 PolarHBondContact O-N 2.89Å; Y282-S284 PolarHBondContact O-N 3.49Å; Y282-Q285 PolarHBondContact O-N 2.99Å; Y282-V286 HydrophobicContact CD1-CB 4.45Å; Y282-V286 HydrophobicContact CE1-CB 4.21Å; Y282-V286 HydrophobicContact CE1-CG2 3.95Å; Y282-V286 PolarHBondContact O-N 3.3Å; Y282-L325 WeakPolarHBondContact CE1-O 3.15Å; Y282-L325 WeakPolarHBondContact OH-CA 3.36Å; Y282-L325 WeakPolarHBondContact OH-CD2 3.38Å; Y282-L325 PolarHBondContact OH-O 3.12Å; Y282-P328 HydrophobicContact CD1-CB 3.95Å; Y282-P328 HydrophobicContact CE1-CB 3.57Å; Y282-P328 HydrophobicContact CE1-CG 3.7Å |
| 283 | C | 83.6 | Confident | 85.3 | Confident | 6 Ų | 6 | 35.6 Ų | 35.6 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -30.1 | -178.3 | -66.1 | 0 | 0 | 0 | 0 | 112.6 | Y279 Q285 V369 | Y279-C283 VanDerWaalsContact O-CB 3.31Å; Y279-C283 WeakPolarHBondContact O-CB 3.32Å; Y279-C283 PolarHBondContact O-N 3.24Å; Y279-C283 PolarHBondContact O-SG 3.43Å; C283-Q285 VanDerWaalsContact C-N 3.29Å; C283-Q285 PolarHBondContact O-N 2.99Å; C283-V369 HydrophobicContact CB-CG1 3.8Å; C283-V369 WeakPolarHBondContact SG-CG1 3.33Å |
| 284 | S | 78.5 | Confident | 85.3 | Confident | 26 Ų | 26 | 36.9 Ų | 36.9 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.1 | -24.7 | 175 | 67.6 | 0 | 0 | 0 | 0 | 114.6 | G280 H281 Y282 N376 | G280-S284 WeakPolarHBondContact O-CB 3.27Å; G280-S284 PolarHBondContact O-N 2.99Å; G280-S284 VanDerWaalsContact O-N 3.1Å; G280-S284 PolarHBondContact O-OG 3.16Å; H281-S284 PolarHBondContact O-N 3.44Å; H281-S284 PolarHBondContact O-OG 3.15Å; Y282-S284 PolarHBondContact O-N 3.49Å; S284-N376 WeakPolarHBondContact CB-ND2 3.29Å |
| 285 | Q | 81.7 | Confident | 85.5 | Confident | 71 Ų | 71 | 35.3 Ų | 35.3 | 33% | 0.332 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -113.3 | -17.3 | -171.9 | -63.3 | -164.8 | -1.2 | 0 | 0 | 113.9 | I237 H281 Y282 C283 E287 A288 A289 | I237-Q285 HydrophobicContact CD1-CB 3.72Å; I237-Q285 HydrophobicContact CG1-CB 3.97Å; I237-Q285 HydrophobicContact CG2-CB 4.15Å; H281-Q285 VanDerWaalsContact CE1-CD 3.43Å; H281-Q285 PolarHBondContact CE1-NE2 3.18Å; H281-Q285 PolarHBondContact O-N 3.44Å; Y282-Q285 PolarHBondContact O-N 2.99Å; C283-Q285 VanDerWaalsContact C-N 3.29Å; C283-Q285 PolarHBondContact O-N 2.99Å; Q285-E287 VanDerWaalsContact C-N 3.27Å; Q285-E287 PolarHBondContact O-N 2.65Å; Q285-A288 WeakPolarHBondContact O-CA 3.23Å; Q285-A288 WeakPolarHBondContact O-CB 3.47Å; Q285-A288 PolarHBondContact O-N 2.84Å; Q285-A289 PolarHBondContact O-N 3.31Å |
| 286 | V | 83.8 | Confident | 85.6 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.7 | -37.5 | -174.3 | 69.7 | 0 | 0 | 0 | 0 | 113.5 | I237 Y282 A289 S290 L325 M326 M329 | I237-V286 HydrophobicContact CD1-CB 4.34Å; Y282-V286 HydrophobicContact CD1-CB 4.45Å; Y282-V286 HydrophobicContact CE1-CB 4.21Å; Y282-V286 HydrophobicContact CE1-CG2 3.95Å; Y282-V286 PolarHBondContact O-N 3.3Å; V286-A289 PolarHBondContact O-N 3.5Å; V286-S290 WeakPolarHBondContact O-CB 3.33Å; V286-S290 PolarHBondContact O-N 2.86Å; V286-L325 HydrophobicContact CG2-CB 4.44Å; V286-L325 VanDerWaalsContact CG2-O 3.28Å; V286-L325 WeakPolarHBondContact CG2-O 3.32Å; V286-M326 HydrophobicContact CG2-SD 3.85Å; V286-M329 HydrophobicContact CG1-SD 4.36Å |
| 287 | E | 79.4 | Confident | 85.6 | Confident | 43 Ų | 43 | 32.1 Ų | 32.1 | 20% | 0.201 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65 | -41.6 | 175.2 | -68.5 | 175.5 | -171.8 | 0 | 0 | 112.5 | Q285 K291 K373 K380 | Q285-E287 VanDerWaalsContact C-N 3.27Å; Q285-E287 PolarHBondContact O-N 2.65Å; E287-K291 WeakPolarHBondContact O-CG 3.23Å; E287-K291 PolarHBondContact O-N 3.1Å; E287-K373 WeakPolarHBondContact OE1-CE 3.39Å; E287-K373 IonicContact OE1-NZ 3.25Å; E287-K380 IonicContact OE2-NZ 2.76Å |
| 288 | A | 80.9 | Confident | 85.9 | Confident | 61 Ų | 61 | 37.4 Ų | 37.4 | 50% | 0.504 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70 | -40 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q285 K291 H292 | Q285-A288 WeakPolarHBondContact O-CA 3.23Å; Q285-A288 WeakPolarHBondContact O-CB 3.47Å; Q285-A288 PolarHBondContact O-N 2.84Å; A288-K291 PolarHBondContact O-N 2.95Å; A288-H292 WeakPolarHBondContact O-CB 3.17Å; A288-H292 PolarHBondContact O-N 3.06Å |
| 289 | A | 88.2 | Confident | 86.2 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -45.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S234 I237 Q285 V286 H292 L293 | S234-A289 WeakPolarHBondContact O-CA 3.25Å; S234-A289 WeakPolarHBondContact O-CB 3.14Å; I237-A289 HydrophobicContact CD1-CB 3.88Å; I237-A289 HydrophobicContact CG1-CB 4.14Å; Q285-A289 PolarHBondContact O-N 3.31Å; V286-A289 PolarHBondContact O-N 3.5Å; A289-H292 PolarHBondContact O-N 3.44Å; A289-L293 WeakPolarHBondContact O-CB 3.35Å; A289-L293 PolarHBondContact O-N 2.84Å |
| 290 | S | 85.6 | Confident | 86.5 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.3 | -46.2 | 174.5 | 164.1 | 0 | 0 | 0 | 0 | 111.8 | R58 V286 H292 L293 D294 | R58-S290 PolarHBondContact NH1-OG 3.12Å; R58-S290 VanDerWaalsContact NH1-OG 3.12Å; V286-S290 WeakPolarHBondContact O-CB 3.33Å; V286-S290 PolarHBondContact O-N 2.86Å; S290-H292 VanDerWaalsContact C-N 3.35Å; S290-H292 PolarHBondContact O-N 3.41Å; S290-L293 PolarHBondContact O-N 3.14Å; S290-D294 PolarHBondContact O-N 2.88Å |
| 291 | K | 83.3 | Confident | 87.2 | Confident | 78 Ų | 78 | 49.3 Ų | 49.3 | 34% | 0.339 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 176.4 | -72.1 | -178.5 | -175.9 | -173.5 | 0 | 112.2 | R58 E287 A288 D294 K295 | R58-K291 PolarHBondContact O-NZ 2.97Å; E287-K291 WeakPolarHBondContact O-CG 3.23Å; E287-K291 PolarHBondContact O-N 3.1Å; A288-K291 PolarHBondContact O-N 2.95Å; K291-D294 PolarHBondContact O-N 3.38Å; K291-K295 WeakPolarHBondContact O-CB 3.29Å; K291-K295 PolarHBondContact O-N 2.93Å |
| 292 | H | 90.4 | Very high | 87.9 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66 | -43.8 | 177.4 | -166.3 | 56.6 | 0 | 0 | 0 | 111.5 | D231 A288 A289 S290 D294 K295 V296 D630 | D231-H292 IonicContact OD1-CD2 3.62Å; D231-H292 IonicContact OD1-CE1 2.82Å; D231-H292 IonicContact OD1-NE2 3.23Å; D231-H292 PolarHBondContact OD1-NE2 3.06Å; A288-H292 WeakPolarHBondContact O-CB 3.17Å; A288-H292 PolarHBondContact O-N 3.06Å; A289-H292 PolarHBondContact O-N 3.44Å; S290-H292 VanDerWaalsContact C-N 3.35Å; S290-H292 PolarHBondContact O-N 3.41Å; H292-D294 VanDerWaalsContact C-N 3.34Å; H292-D294 PolarHBondContact O-N 3.01Å; H292-K295 PolarHBondContact O-N 2.86Å; H292-V296 VanDerWaalsContact O-CG2 3.3Å; H292-V296 WeakPolarHBondContact O-CG2 2.68Å; H292-V296 PolarHBondContact O-N 3.46Å; H292-D630 IonicContact CE1-OD2 2.85Å |
| 293 | L | 93.2 | Very high | 88.2 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57 | -46.9 | 174.5 | 178.9 | 62.2 | 0 | 0 | 0 | 111.5 | I235 A289 S290 V296 S297 L307 L321 R322 L325 | I235-L293 HydrophobicContact CD1-CB 4.45Å; I235-L293 HydrophobicContact CD1-CD1 4.12Å; I235-L293 HydrophobicContact CG1-CB 4.26Å; I235-L293 HydrophobicContact CG2-CB 4.47Å; I235-L293 HydrophobicContact CG2-CD1 4.31Å; A289-L293 WeakPolarHBondContact O-CB 3.35Å; A289-L293 PolarHBondContact O-N 2.84Å; S290-L293 PolarHBondContact O-N 3.14Å; L293-V296 PolarHBondContact O-N 3.49Å; L293-S297 WeakPolarHBondContact O-CB 3.45Å; L293-S297 PolarHBondContact O-N 3.46Å; L293-L307 HydrophobicContact CD1-CD1 3.86Å; L293-L307 HydrophobicContact CD1-CD2 4.09Å; L293-L321 HydrophobicContact CD1-CD2 4.05Å; L293-L321 HydrophobicContact CD2-CB 4.12Å; L293-L321 HydrophobicContact CD2-CD2 3.94Å; L293-L321 HydrophobicContact CD2-CG 3.91Å; L293-R322 HydrophobicContact CD2-CB 4.3Å; L293-L325 HydrophobicContact CD2-CD1 4.3Å |
| 294 | D | 87.9 | Confident | 88.8 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 178.4 | -70.2 | -18.7 | 0 | 0 | 0 | 111.4 | S290 K291 H292 V296 S297 N298 R322 | S290-D294 PolarHBondContact O-N 2.88Å; K291-D294 PolarHBondContact O-N 3.38Å; H292-D294 VanDerWaalsContact C-N 3.34Å; H292-D294 PolarHBondContact O-N 3.01Å; D294-V296 PolarHBondContact O-N 3.06Å; D294-S297 PolarHBondContact O-N 3.16Å; D294-N298 WeakPolarHBondContact O-CB 3.1Å; D294-N298 PolarHBondContact O-N 2.85Å; D294-N298 PolarHBondContact O-ND2 3.26Å; D294-R322 IonicContact OD1-NH1 2.77Å; D294-R322 IonicContact OD2-CZ 3.59Å; D294-R322 IonicContact OD2-NH1 3.93Å; D294-R322 PolarHBondContact OD2-NH1 2.84Å |
| 295 | K | 90.3 | Very high | 89.5 | Confident | 93 Ų | 93 | 56.4 Ų | 56.4 | 40% | 0.404 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.9 | -50.2 | 176.3 | 179.8 | -173.9 | 173.3 | -166.1 | 0 | 111.3 | K291 H292 N298 M299 D630 | K291-K295 WeakPolarHBondContact O-CB 3.29Å; K291-K295 PolarHBondContact O-N 2.93Å; H292-K295 PolarHBondContact O-N 2.86Å; K295-N298 PolarHBondContact O-N 2.8Å; K295-M299 HydrophobicContact CG-CE 4.15Å; K295-M299 HydrophobicContact CG-SD 4.11Å; K295-M299 WeakPolarHBondContact O-CB 3.49Å; K295-M299 VanDerWaalsContact O-CG 3.29Å; K295-M299 WeakPolarHBondContact O-CG 3.48Å; K295-M299 PolarHBondContact O-N 2.95Å; K295-D630 IonicContact NZ-OD1 3.37Å |
| 296 | V | 92.3 | Very high | 90.2 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | -178.8 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | L227 H292 L293 D294 N298 M299 R300 V303 | L227-V296 HydrophobicContact CD2-CG1 3.61Å; H292-V296 VanDerWaalsContact O-CG2 3.3Å; H292-V296 WeakPolarHBondContact O-CG2 2.68Å; H292-V296 PolarHBondContact O-N 3.46Å; L293-V296 PolarHBondContact O-N 3.49Å; D294-V296 PolarHBondContact O-N 3.06Å; V296-N298 VanDerWaalsContact C-N 3.35Å; V296-N298 PolarHBondContact O-N 3.48Å; V296-M299 PolarHBondContact O-N 2.58Å; V296-R300 WeakPolarHBondContact O-CB 3.3Å; V296-R300 PolarHBondContact O-N 3.36Å; V296-V303 HydrophobicContact CG1-CG1 4.18Å; V296-V303 HydrophobicContact CG1-CG2 4.32Å |
| 297 | S | 91.7 | Very high | 90.8 | Very high | 20 Ų | 20 | 55.4 Ų | 55.4 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.8 | -43 | 177.4 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | L293 D294 R300 | L293-S297 WeakPolarHBondContact O-CB 3.45Å; L293-S297 PolarHBondContact O-N 3.46Å; D294-S297 PolarHBondContact O-N 3.16Å; S297-R300 PolarHBondContact O-N 3.28Å |
| 298 | N | 90.3 | Very high | 91.4 | Very high | 138 Ų | 138 | 57.5 Ų | 57.5 | 74% | 0.738 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -71 | -30.8 | 179.2 | -71.6 | -23.6 | 0 | 0 | 0 | 113.2 | D294 K295 V296 | D294-N298 WeakPolarHBondContact O-CB 3.1Å; D294-N298 PolarHBondContact O-N 2.85Å; D294-N298 PolarHBondContact O-ND2 3.26Å; K295-N298 PolarHBondContact O-N 2.8Å; V296-N298 VanDerWaalsContact C-N 3.35Å; V296-N298 PolarHBondContact O-N 3.48Å |
| 299 | M | 92.1 | Very high | 92.1 | Very high | 145 Ų | 145 | 57.7 Ų | 57.7 | 71% | 0.714 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -82.3 | -25.8 | 178.1 | -72.5 | -177.4 | 170.5 | 0 | 0 | 113 | K295 V296 | K295-M299 HydrophobicContact CG-CE 4.15Å; K295-M299 HydrophobicContact CG-SD 4.11Å; K295-M299 WeakPolarHBondContact O-CB 3.49Å; K295-M299 VanDerWaalsContact O-CG 3.29Å; K295-M299 WeakPolarHBondContact O-CG 3.48Å; K295-M299 PolarHBondContact O-N 2.95Å; V296-M299 PolarHBondContact O-N 2.58Å |
| 300 | R | 95.1 | Very high | 92.5 | Very high | 82 Ų | 82 | 57.6 Ų | 57.6 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | trans | -129.1 | 100.3 | -169.9 | -74.4 | -170.3 | 62.7 | -174.3 | -3.9 | 112.4 | F226 V296 S297 D302 V303 R304 | F226-R300 VanDerWaalsContact O-CZ 3.28Å; F226-R300 PolarHBondContact O-NH1 3.04Å; F226-R300 PolarHBondContact O-NH2 2.76Å; V296-R300 WeakPolarHBondContact O-CB 3.3Å; V296-R300 PolarHBondContact O-N 3.36Å; S297-R300 PolarHBondContact O-N 3.28Å; R300-D302 VanDerWaalsContact C-N 3.26Å; R300-D302 WeakPolarHBondContact CB-OD1 3.48Å; R300-D302 IonicContact CZ-OD1 3.47Å; R300-D302 IonicContact CZ-OD2 2.71Å; R300-D302 IonicContact NE-OD1 2.63Å; R300-D302 PolarHBondContact NE-OD1 3.21Å; R300-D302 IonicContact NE-OD2 3.64Å; R300-D302 IonicContact NH2-OD1 3.17Å; R300-D302 IonicContact NH2-OD2 3.32Å; R300-D302 PolarHBondContact NH2-OD2 3.12Å; R300-D302 PolarHBondContact O-N 2.97Å; R300-V303 HydrophobicContact CB-CB 4Å; R300-V303 HydrophobicContact CB-CG2 3.78Å; R300-V303 WeakPolarHBondContact O-CB 3.08Å; R300-V303 PolarHBondContact O-N 2.74Å; R300-V303 VanDerWaalsContact O-N 3.08Å; R300-R304 PolarHBondContact O-N 3.29Å | ||
| 301 | E | 94.5 | Very high | 92.8 | Very high | 96 Ų | 96 | 58.1 Ų | 58.1 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.5 | -36.4 | 178.4 | -176.3 | 59.1 | -160.3 | 0 | 0 | 113.4 | V303 R304 M305 | E301-V303 VanDerWaalsContact C-N 3.35Å; E301-R304 PolarHBondContact O-N 3.07Å; E301-R304 IonicContact OE1-CZ 3.39Å; E301-R304 IonicContact OE1-NE 2.87Å; E301-R304 IonicContact OE1-NH2 3.55Å; E301-R304 PolarHBondContact OE1-NH2 2.94Å; E301-R304 IonicContact OE2-CZ 3.28Å; E301-R304 VanDerWaalsContact OE2-CZ 3.24Å; E301-R304 IonicContact OE2-NE 2.89Å; E301-R304 PolarHBondContact OE2-NE 3Å; E301-R304 IonicContact OE2-NH2 2.84Å; E301-R304 PolarHBondContact OE2-NH2 3.13Å; E301-M305 HydrophobicContact CG-CE 4.38Å; E301-M305 WeakPolarHBondContact O-CG 3.39Å; E301-M305 PolarHBondContact O-N 3.04Å |
| 302 | D | 95.3 | Very high | 93.3 | Very high | 63 Ų | 63 | 61 Ų | 61 | 34% | 0.337 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 177.3 | 64.9 | -43.4 | 0 | 0 | 0 | 112.3 | R300 K306 | R300-D302 VanDerWaalsContact C-N 3.26Å; R300-D302 WeakPolarHBondContact CB-OD1 3.48Å; R300-D302 IonicContact CZ-OD1 3.47Å; R300-D302 IonicContact CZ-OD2 2.71Å; R300-D302 IonicContact NE-OD1 2.63Å; R300-D302 PolarHBondContact NE-OD1 3.21Å; R300-D302 IonicContact NE-OD2 3.64Å; R300-D302 IonicContact NH2-OD1 3.17Å; R300-D302 IonicContact NH2-OD2 3.32Å; R300-D302 PolarHBondContact NH2-OD2 3.12Å; R300-D302 PolarHBondContact O-N 2.97Å; D302-K306 WeakPolarHBondContact O-CB 3.48Å; D302-K306 PolarHBondContact O-N 3.48Å; D302-K306 VanDerWaalsContact O-N 3.12Å |
| 303 | V | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.1 | -44.4 | 174.2 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | L223 F226 L227 V296 R300 E301 K306 L307 | L223-V303 HydrophobicContact CD2-CG1 4.37Å; F226-V303 HydrophobicContact CB-CG2 4.32Å; L227-V303 HydrophobicContact CD2-CG1 4.05Å; L227-V303 HydrophobicContact CD2-CG2 3.69Å; V296-V303 HydrophobicContact CG1-CG1 4.18Å; V296-V303 HydrophobicContact CG1-CG2 4.32Å; R300-V303 HydrophobicContact CB-CB 4Å; R300-V303 HydrophobicContact CB-CG2 3.78Å; R300-V303 WeakPolarHBondContact O-CB 3.08Å; R300-V303 PolarHBondContact O-N 2.74Å; R300-V303 VanDerWaalsContact O-N 3.08Å; E301-V303 VanDerWaalsContact C-N 3.35Å; V303-K306 CarbonylContact O-C 3.49Å; V303-K306 WeakPolarHBondContact O-CA 3.2Å; V303-K306 WeakPolarHBondContact O-CB 3.12Å; V303-K306 PolarHBondContact O-N 3.16Å; V303-K306 VanDerWaalsContact O-N 3.09Å; V303-L307 HydrophobicContact CG1-CD1 4.03Å; V303-L307 HydrophobicContact CG1-CG 4.36Å; V303-L307 WeakPolarHBondContact O-CG 3.37Å; V303-L307 PolarHBondContact O-N 3.11Å |
| 304 | R | 94.6 | Very high | 93.3 | Very high | 93 Ų | 93 | 69.3 Ų | 69.3 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.5 | -51.6 | 178.3 | -172.3 | 175.4 | 73.1 | 90.9 | -10.6 | 112.1 | R300 E301 K306 L307 E308 | R300-R304 PolarHBondContact O-N 3.29Å; E301-R304 PolarHBondContact O-N 3.07Å; E301-R304 IonicContact OE1-CZ 3.39Å; E301-R304 IonicContact OE1-NE 2.87Å; E301-R304 IonicContact OE1-NH2 3.55Å; E301-R304 PolarHBondContact OE1-NH2 2.94Å; E301-R304 IonicContact OE2-CZ 3.28Å; E301-R304 VanDerWaalsContact OE2-CZ 3.24Å; E301-R304 IonicContact OE2-NE 2.89Å; E301-R304 PolarHBondContact OE2-NE 3Å; E301-R304 IonicContact OE2-NH2 2.84Å; E301-R304 PolarHBondContact OE2-NH2 3.13Å; R304-K306 PolarHBondContact O-N 3.17Å; R304-L307 WeakPolarHBondContact O-CB 3.45Å; R304-L307 PolarHBondContact O-N 2.85Å; R304-E308 IonicContact NH1-OE1 3.77Å; R304-E308 PolarHBondContact NH1-OE1 3.43Å; R304-E308 PolarHBondContact O-N 3.21Å; R304-E308 VanDerWaalsContact O-N 3.14Å |
| 305 | M | 94.2 | Very high | 93.3 | Very high | 105 Ų | 105 | 68.7 Ų | 68.7 | 52% | 0.517 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.7 | -37.1 | 175 | -72.2 | -167.6 | -65.6 | 0 | 0 | 111.9 | E301 E308 E309 | E301-M305 HydrophobicContact CG-CE 4.38Å; E301-M305 WeakPolarHBondContact O-CG 3.39Å; E301-M305 PolarHBondContact O-N 3.04Å; M305-E308 PolarHBondContact O-N 2.8Å; M305-E309 PolarHBondContact O-N 3.23Å |
| 306 | K | 96.7 | Very high | 93.3 | Very high | 29 Ų | 29 | 69.7 Ų | 69.7 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67 | -39.9 | 178.3 | -169.8 | 66.8 | -165.7 | 169.3 | 0 | 112.3 | L223 F226 D302 V303 R304 E309 C310 | L223-K306 HydrophobicContact CD2-CB 4.45Å; L223-K306 HydrophobicContact CD2-CG 4.13Å; F226-K306 HydrophobicContact CD2-CD 4.3Å; F226-K306 HydrophobicContact CD2-CG 3.97Å; F226-K306 HydrophobicContact CE1-CB 4.49Å; F226-K306 HydrophobicContact CE2-CD 3.64Å; F226-K306 HydrophobicContact CE2-CG 3.83Å; F226-K306 HydrophobicContact CG-CG 4.43Å; F226-K306 HydrophobicContact CZ-CD 3.78Å; F226-K306 HydrophobicContact CZ-CG 4.14Å; D302-K306 WeakPolarHBondContact O-CB 3.48Å; D302-K306 PolarHBondContact O-N 3.48Å; D302-K306 VanDerWaalsContact O-N 3.12Å; V303-K306 CarbonylContact O-C 3.49Å; V303-K306 WeakPolarHBondContact O-CA 3.2Å; V303-K306 WeakPolarHBondContact O-CB 3.12Å; V303-K306 PolarHBondContact O-N 3.16Å; V303-K306 VanDerWaalsContact O-N 3.09Å; R304-K306 PolarHBondContact O-N 3.17Å; K306-E309 WeakPolarHBondContact CD-OE2 3.41Å; K306-E309 IonicContact NZ-OE1 3.62Å; K306-E309 PolarHBondContact NZ-OE1 2.96Å; K306-E309 IonicContact NZ-OE2 2.69Å; K306-E309 PolarHBondContact NZ-OE2 3.31Å; K306-E309 WeakPolarHBondContact O-CB 3.49Å; K306-E309 PolarHBondContact O-N 2.98Å; K306-C310 WeakPolarHBondContact O-CB 3.12Å; K306-C310 PolarHBondContact O-N 3.42Å; K306-C310 PolarHBondContact O-SG 3.4Å |
| 307 | L | 95.4 | Very high | 92.8 | Very high | 22 Ų | 22 | 71 Ų | 71 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 175.1 | -73.3 | 165.4 | 0 | 0 | 0 | 111.7 | L223 L293 V303 R304 C310 S311 L321 | L223-L307 HydrophobicContact CD1-CD2 3.72Å; L223-L307 HydrophobicContact CD2-CD2 4.21Å; L223-L307 HydrophobicContact CD2-CG 4.38Å; L293-L307 HydrophobicContact CD1-CD1 3.86Å; L293-L307 HydrophobicContact CD1-CD2 4.09Å; V303-L307 HydrophobicContact CG1-CD1 4.03Å; V303-L307 HydrophobicContact CG1-CG 4.36Å; V303-L307 WeakPolarHBondContact O-CG 3.37Å; V303-L307 PolarHBondContact O-N 3.11Å; R304-L307 WeakPolarHBondContact O-CB 3.45Å; R304-L307 PolarHBondContact O-N 2.85Å; L307-C310 PolarHBondContact O-N 3.07Å; L307-S311 WeakPolarHBondContact O-CB 3.5Å; L307-S311 PolarHBondContact O-N 3.15Å; L307-L321 HydrophobicContact CD2-CB 4.07Å; L307-L321 HydrophobicContact CD2-CD2 3.68Å |
| 308 | E | 93.3 | Very high | 92.6 | Very high | 87 Ų | 87 | 77 Ų | 77 | 41% | 0.407 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 175.3 | -69.2 | 177.5 | -161.4 | 0 | 0 | 112 | R304 M305 S311 K312 | R304-E308 IonicContact NH1-OE1 3.77Å; R304-E308 PolarHBondContact NH1-OE1 3.43Å; R304-E308 PolarHBondContact O-N 3.21Å; R304-E308 VanDerWaalsContact O-N 3.14Å; M305-E308 PolarHBondContact O-N 2.8Å; E308-S311 PolarHBondContact O-N 3.4Å; E308-K312 WeakPolarHBondContact O-CG 3.43Å; E308-K312 PolarHBondContact O-N 3.44Å |
| 309 | E | 94.9 | Very high | 92.5 | Very high | 66 Ų | 66 | 71.3 Ų | 71.3 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 175.5 | -169.4 | -159.4 | 147.5 | 0 | 0 | 111.7 | M305 K306 K312 R313 | M305-E309 PolarHBondContact O-N 3.23Å; K306-E309 WeakPolarHBondContact CD-OE2 3.41Å; K306-E309 IonicContact NZ-OE1 3.62Å; K306-E309 PolarHBondContact NZ-OE1 2.96Å; K306-E309 IonicContact NZ-OE2 2.69Å; K306-E309 PolarHBondContact NZ-OE2 3.31Å; K306-E309 WeakPolarHBondContact O-CB 3.49Å; K306-E309 PolarHBondContact O-N 2.98Å; E309-K312 PolarHBondContact O-N 3.26Å; E309-R313 WeakPolarHBondContact O-CG 3.39Å; E309-R313 PolarHBondContact O-N 3.44Å; E309-R313 IonicContact OE1-CZ 3.24Å; E309-R313 IonicContact OE1-NE 2.66Å; E309-R313 PolarHBondContact OE1-NE 3.06Å; E309-R313 IonicContact OE1-NH1 3.41Å; E309-R313 IonicContact OE1-NH2 2.84Å; E309-R313 PolarHBondContact OE1-NH2 2.93Å |
| 310 | C | 95.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.8 | -73.6 | 0 | 0 | 0 | 0 | 111.3 | H218 F219 K306 L307 R313 A314 | H218-C310 VanDerWaalsContact O-CB 3.24Å; H218-C310 WeakPolarHBondContact O-CB 3.4Å; H218-C310 PolarHBondContact O-SG 2.85Å; F219-C310 HydrophobicContact CD1-CB 3.51Å; F219-C310 HydrophobicContact CE1-CB 3.65Å; F219-C310 HydrophobicContact CG-CB 4.14Å; F219-C310 HydrophobicContact CZ-CB 4.37Å; K306-C310 WeakPolarHBondContact O-CB 3.12Å; K306-C310 PolarHBondContact O-N 3.42Å; K306-C310 PolarHBondContact O-SG 3.4Å; L307-C310 PolarHBondContact O-N 3.07Å; C310-R313 PolarHBondContact O-N 3.44Å; C310-A314 VanDerWaalsContact O-CB 3.3Å; C310-A314 WeakPolarHBondContact O-CB 3.21Å; C310-A314 PolarHBondContact O-N 2.74Å |
| 311 | S | 93.7 | Very high | 92.5 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 176.2 | 177.7 | 0 | 0 | 0 | 0 | 112.1 | L307 E308 R313 A314 N315 S316 G317 F319 | L307-S311 WeakPolarHBondContact O-CB 3.5Å; L307-S311 PolarHBondContact O-N 3.15Å; E308-S311 PolarHBondContact O-N 3.4Å; S311-R313 VanDerWaalsContact C-N 3.31Å; S311-R313 PolarHBondContact O-N 2.76Å; S311-A314 PolarHBondContact O-N 3.05Å; S311-N315 PolarHBondContact O-N 3.01Å; S311-N315 PolarHBondContact O-OD1 3.14Å; S311-N315 VanDerWaalsContact O-OD1 3.07Å; S311-N315 PolarHBondContact OG-OD1 2.76Å; S311-S316 PolarHBondContact O-N 2.99Å; S311-G317 PolarHBondContact O-N 3.22Å; S311-G317 WeakPolarHBondContact OG-CA 3.49Å; S311-F319 PolarHBondContact OG-O 3.02Å |
| 312 | K | 92.2 | Very high | 92.3 | Very high | 139 Ų | 139 | 61.9 Ų | 61.9 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.1 | -40.9 | 174.2 | -75.3 | 173.4 | -176.6 | 167.3 | 0 | 112.8 | E308 E309 S316 | E308-K312 WeakPolarHBondContact O-CG 3.43Å; E308-K312 PolarHBondContact O-N 3.44Å; E309-K312 PolarHBondContact O-N 3.26Å; K312-S316 VanDerWaalsContact O-CA 3.28Å; K312-S316 WeakPolarHBondContact O-CA 3.23Å; K312-S316 PolarHBondContact O-N 3.49Å; K312-S316 VanDerWaalsContact O-N 3.12Å |
| 313 | R | 93.4 | Very high | 92 | Very high | 177 Ų | 177 | 60.8 Ų | 60.8 | 67% | 0.668 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -72.5 | -36.2 | 179.1 | -72.2 | 175.9 | -176.7 | -141.6 | 1.3 | 113.2 | E309 C310 S311 | E309-R313 WeakPolarHBondContact O-CG 3.39Å; E309-R313 PolarHBondContact O-N 3.44Å; E309-R313 IonicContact OE1-CZ 3.24Å; E309-R313 IonicContact OE1-NE 2.66Å; E309-R313 PolarHBondContact OE1-NE 3.06Å; E309-R313 IonicContact OE1-NH1 3.41Å; E309-R313 IonicContact OE1-NH2 2.84Å; E309-R313 PolarHBondContact OE1-NH2 2.93Å; C310-R313 PolarHBondContact O-N 3.44Å; S311-R313 VanDerWaalsContact C-N 3.31Å; S311-R313 PolarHBondContact O-N 2.76Å |
| 314 | A | 90.8 | Very high | 91.9 | Very high | 25 Ų | 25 | 61 Ų | 61 | 21% | 0.207 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -80.6 | -40.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | H218 F219 C310 S311 | H218-A314 HydrophobicContact CB-CB 3.77Å; F219-A314 HydrophobicContact CD2-CB 4.43Å; F219-A314 HydrophobicContact CE2-CB 3.56Å; F219-A314 HydrophobicContact CZ-CB 4.1Å; C310-A314 VanDerWaalsContact O-CB 3.3Å; C310-A314 WeakPolarHBondContact O-CB 3.21Å; C310-A314 PolarHBondContact O-N 2.74Å; S311-A314 PolarHBondContact O-N 3.05Å |
| 315 | N | 88.9 | Confident | 91.8 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -151.5 | 25.2 | -169.1 | 59.8 | 49.9 | 0 | 0 | 0 | 113.3 | S311 G317 R318 F319 | S311-N315 PolarHBondContact O-N 3.01Å; S311-N315 PolarHBondContact O-OD1 3.14Å; S311-N315 VanDerWaalsContact O-OD1 3.07Å; S311-N315 PolarHBondContact OG-OD1 2.76Å; N315-G317 PolarHBondContact O-N 3.27Å; N315-G317 VanDerWaalsContact O-N 3.17Å; N315-G317 PolarHBondContact OD1-N 2.97Å; N315-R318 WeakPolarHBondContact O-CB 3.28Å; N315-R318 PolarHBondContact O-N 3.04Å; N315-R318 PolarHBondContact OD1-N 3.43Å; N315-F319 HydrophobicContact CB-CD2 4.42Å; N315-F319 PolarHBondContact ND2-O 3.14Å; N315-F319 PolarHBondContact OD1-N 3.03Å; N315-F319 PolarHBondContact OD1-O 3.31Å |
| 316 | S | 88.6 | Confident | 91.5 | Very high | 113 Ų | 113 | 53.2 Ų | 53.2 | 79% | 0.79 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 23.1 | -179 | -56.8 | 0 | 0 | 0 | 0 | 114.4 | S311 K312 | S311-S316 PolarHBondContact O-N 2.99Å; K312-S316 VanDerWaalsContact O-CA 3.28Å; K312-S316 WeakPolarHBondContact O-CA 3.23Å; K312-S316 PolarHBondContact O-N 3.49Å; K312-S316 VanDerWaalsContact O-N 3.12Å |
| 317 | G | 82.8 | Confident | 91.2 | Very high | 43 Ų | 43 | 51.9 Ų | 51.9 | 44% | 0.443 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 11 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S311 N315 | S311-G317 PolarHBondContact O-N 3.22Å; S311-G317 WeakPolarHBondContact OG-CA 3.49Å; N315-G317 PolarHBondContact O-N 3.27Å; N315-G317 VanDerWaalsContact O-N 3.17Å; N315-G317 PolarHBondContact OD1-N 2.97Å |
| 318 | R | 86.9 | Confident | 91.1 | Very high | 147 Ų | 147 | 50.8 Ų | 50.8 | 56% | 0.555 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -73.4 | -35.1 | -179.2 | -170.8 | 176.9 | 178.1 | 169.7 | -1.7 | 112.6 | D175 N315 | D175-R318 IonicContact OD2-CZ 2.98Å; D175-R318 IonicContact OD2-NH2 2.75Å; D175-R318 PolarHBondContact OD2-NH2 3.23Å; N315-R318 WeakPolarHBondContact O-CB 3.28Å; N315-R318 PolarHBondContact O-N 3.04Å; N315-R318 PolarHBondContact OD1-N 3.43Å |
| 319 | F | 89.1 | Confident | 90.7 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -132 | 131.3 | -178.8 | -53.5 | -69.6 | 0 | 0 | 0 | 110.6 | I172 D175 L176 S311 N315 D323 L324 | I172-F319 HydrophobicContact CG2-CD1 3.85Å; I172-F319 HydrophobicContact CG2-CE1 3.89Å; D175-F319 HydrophobicContact CB-CZ 4.22Å; L176-F319 HydrophobicContact CD1-CD2 4.33Å; L176-F319 HydrophobicContact CD1-CE2 3.94Å; S311-F319 PolarHBondContact OG-O 3.02Å; N315-F319 HydrophobicContact CB-CD2 4.42Å; N315-F319 PolarHBondContact ND2-O 3.14Å; N315-F319 PolarHBondContact OD1-N 3.03Å; N315-F319 PolarHBondContact OD1-O 3.31Å; F319-D323 HydrophobicContact CB-CB 4.34Å; F319-L324 HydrophobicContact CB-CD2 4.04Å; F319-L324 HydrophobicContact CB-CG 4.14Å |
| 320 | S | 92.6 | Very high | 90.2 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 32% | 0.315 | 23% | 0.23 | S | C | . | . | trans | -76.2 | 168.1 | 173.6 | 77.6 | 0 | 0 | 0 | 0 | 111.3 | R322 D323 L324 | S320-R322 PolarHBondContact O-N 3.39Å; S320-R322 PolarHBondContact OG-N 3.06Å; S320-D323 VanDerWaalsContact CB-OD2 3.31Å; S320-D323 WeakPolarHBondContact CB-OD2 3.37Å; S320-D323 PolarHBondContact N-OD2 2.78Å; S320-D323 PolarHBondContact O-N 3.27Å; S320-D323 PolarHBondContact OG-N 2.85Å; S320-D323 PolarHBondContact OG-OD1 2.84Å; S320-D323 PolarHBondContact OG-OD2 3.34Å; S320-L324 WeakPolarHBondContact O-CG 3.38Å; S320-L324 PolarHBondContact O-N 3.38Å | ||
| 321 | L | 94.1 | Very high | 90.1 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -36.8 | 173.1 | 178.2 | 57.7 | 0 | 0 | 0 | 111.5 | I215 F219 L223 I235 F236 L293 L307 D323 L324 L325 | I215-L321 HydrophobicContact CG2-CD1 4.25Å; F219-L321 HydrophobicContact CB-CD1 3.9Å; F219-L321 HydrophobicContact CB-CD2 4.34Å; F219-L321 HydrophobicContact CD1-CB 3.71Å; F219-L321 HydrophobicContact CD1-CD1 3.98Å; F219-L321 HydrophobicContact CD1-CD2 4.19Å; F219-L321 HydrophobicContact CD1-CG 4.17Å; F219-L321 HydrophobicContact CD2-CD1 4.44Å; F219-L321 HydrophobicContact CE1-CB 3.79Å; F219-L321 HydrophobicContact CG-CB 4.46Å; F219-L321 HydrophobicContact CG-CD1 3.87Å; L223-L321 HydrophobicContact CD1-CD2 3.88Å; I235-L321 HydrophobicContact CG2-CD2 4.3Å; F236-L321 HydrophobicContact CE1-CD1 3.88Å; F236-L321 HydrophobicContact CE1-CD2 4.16Å; F236-L321 HydrophobicContact CZ-CD1 4.29Å; F236-L321 HydrophobicContact CZ-CD2 3.75Å; L293-L321 HydrophobicContact CD1-CD2 4.05Å; L293-L321 HydrophobicContact CD2-CB 4.12Å; L293-L321 HydrophobicContact CD2-CD2 3.94Å; L293-L321 HydrophobicContact CD2-CG 3.91Å; L307-L321 HydrophobicContact CD2-CB 4.07Å; L307-L321 HydrophobicContact CD2-CD2 3.68Å; L321-D323 VanDerWaalsContact C-N 3.32Å; L321-D323 PolarHBondContact O-N 3.1Å; L321-L324 PolarHBondContact O-N 3.42Å; L321-L325 HydrophobicContact CD1-CD1 4.32Å; L321-L325 HydrophobicContact CD1-CD2 4.44Å; L321-L325 HydrophobicContact CD1-CG 4.08Å; L321-L325 HydrophobicContact CG-CD1 4.1Å; L321-L325 HydrophobicContact CG-CG 4.33Å; L321-L325 VanDerWaalsContact O-CG 3.31Å; L321-L325 WeakPolarHBondContact O-CG 3.29Å; L321-L325 PolarHBondContact O-N 2.76Å |
| 322 | R | 90.6 | Very high | 90 | Very high | 75 Ų | 75 | 44.6 Ų | 44.6 | 28% | 0.283 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.7 | -46.7 | 178 | 176 | 175.6 | 163.7 | 169.7 | -10.4 | 110.7 | L293 D294 S320 L324 L325 | L293-R322 HydrophobicContact CD2-CB 4.3Å; D294-R322 IonicContact OD1-NH1 2.77Å; D294-R322 IonicContact OD2-CZ 3.59Å; D294-R322 IonicContact OD2-NH1 3.93Å; D294-R322 PolarHBondContact OD2-NH1 2.84Å; S320-R322 PolarHBondContact O-N 3.39Å; S320-R322 PolarHBondContact OG-N 3.06Å; R322-L324 PolarHBondContact O-N 3.04Å; R322-L325 PolarHBondContact O-N 3.33Å |
| 323 | D | 87.7 | Confident | 89.7 | Confident | 40 Ų | 40 | 40.3 Ų | 40.3 | 21% | 0.214 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 178.2 | -53.4 | -23.4 | 0 | 0 | 0 | 111 | I172 F319 S320 L321 L325 M326 | I172-D323 HydrophobicContact CD1-CB 3.9Å; I172-D323 HydrophobicContact CG2-CB 4.27Å; F319-D323 HydrophobicContact CB-CB 4.34Å; S320-D323 VanDerWaalsContact CB-OD2 3.31Å; S320-D323 WeakPolarHBondContact CB-OD2 3.37Å; S320-D323 PolarHBondContact N-OD2 2.78Å; S320-D323 PolarHBondContact O-N 3.27Å; S320-D323 PolarHBondContact OG-N 2.85Å; S320-D323 PolarHBondContact OG-OD1 2.84Å; S320-D323 PolarHBondContact OG-OD2 3.34Å; L321-D323 VanDerWaalsContact C-N 3.32Å; L321-D323 PolarHBondContact O-N 3.1Å; D323-L325 VanDerWaalsContact C-N 3.29Å; D323-L325 PolarHBondContact O-N 3.17Å; D323-M326 PolarHBondContact O-N 2.66Å; D323-M326 VanDerWaalsContact O-N 3.12Å |
| 324 | L | 93.1 | Very high | 89.5 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.5 | -28.4 | -177.9 | -67.3 | 175.6 | 0 | 0 | 0 | 113.5 | T211 I215 F219 F319 S320 L321 R322 M326 V327 | T211-L324 HydrophobicContact CG2-CD2 3.96Å; I215-L324 HydrophobicContact CD1-CB 3.97Å; I215-L324 HydrophobicContact CG1-CB 3.98Å; I215-L324 HydrophobicContact CG1-CD1 4.27Å; F219-L324 HydrophobicContact CD2-CD1 4.36Å; F219-L324 HydrophobicContact CE2-CD1 3.55Å; F219-L324 HydrophobicContact CZ-CD1 3.89Å; F319-L324 HydrophobicContact CB-CD2 4.04Å; F319-L324 HydrophobicContact CB-CG 4.14Å; S320-L324 WeakPolarHBondContact O-CG 3.38Å; S320-L324 PolarHBondContact O-N 3.38Å; L321-L324 PolarHBondContact O-N 3.42Å; R322-L324 PolarHBondContact O-N 3.04Å; L324-M326 VanDerWaalsContact C-N 3.25Å; L324-M326 PolarHBondContact O-N 2.71Å; L324-V327 PolarHBondContact O-N 2.63Å |
| 325 | L | 93.3 | Very high | 89.8 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72.7 | -16.6 | 175.7 | -70.4 | 172.6 | 0 | 0 | 0 | 112.7 | I235 F236 Y282 V286 L293 L321 R322 D323 P328 | I235-L325 HydrophobicContact CG2-CD1 4.13Å; F236-L325 HydrophobicContact CD1-CD2 4.47Å; Y282-L325 WeakPolarHBondContact CE1-O 3.15Å; Y282-L325 WeakPolarHBondContact OH-CA 3.36Å; Y282-L325 WeakPolarHBondContact OH-CD2 3.38Å; Y282-L325 PolarHBondContact OH-O 3.12Å; V286-L325 HydrophobicContact CG2-CB 4.44Å; V286-L325 VanDerWaalsContact CG2-O 3.28Å; V286-L325 WeakPolarHBondContact CG2-O 3.32Å; L293-L325 HydrophobicContact CD2-CD1 4.3Å; L321-L325 HydrophobicContact CD1-CD1 4.32Å; L321-L325 HydrophobicContact CD1-CD2 4.44Å; L321-L325 HydrophobicContact CD1-CG 4.08Å; L321-L325 HydrophobicContact CG-CD1 4.1Å; L321-L325 HydrophobicContact CG-CG 4.33Å; L321-L325 VanDerWaalsContact O-CG 3.31Å; L321-L325 WeakPolarHBondContact O-CG 3.29Å; L321-L325 PolarHBondContact O-N 2.76Å; R322-L325 PolarHBondContact O-N 3.33Å; D323-L325 VanDerWaalsContact C-N 3.29Å; D323-L325 PolarHBondContact O-N 3.17Å; L325-P328 WeakPolarHBondContact O-CD 3.43Å |
| 326 | M | 87.5 | Confident | 89.9 | Confident | 32 Ų | 32 | 32.2 Ų | 32.2 | 16% | 0.158 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -82.1 | -27.4 | 174.9 | -60.2 | -53.7 | -64.3 | 0 | 0 | 112.5 | V286 D323 L324 P328 M329 | V286-M326 HydrophobicContact CG2-SD 3.85Å; D323-M326 PolarHBondContact O-N 2.66Å; D323-M326 VanDerWaalsContact O-N 3.12Å; L324-M326 VanDerWaalsContact C-N 3.25Å; L324-M326 PolarHBondContact O-N 2.71Å; M326-P328 VanDerWaalsContact C-CD 3.47Å; M326-M329 PolarHBondContact O-N 3.46Å; M326-M329 VanDerWaalsContact O-N 3.12Å |
| 327 | V | 90.5 | Very high | 90 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -52.5 | -42.5 | -175.6 | -179.5 | 0 | 0 | 0 | 0 | 114.1 | I172 Y173 L176 M177 Y208 L324 M329 Q330 R331 | I172-V327 HydrophobicContact CG2-CG2 4.49Å; Y173-V327 HydrophobicContact CD2-CG1 3.99Å; Y173-V327 HydrophobicContact CE2-CG1 4.46Å; L176-V327 HydrophobicContact CD2-CG1 3.97Å; L176-V327 HydrophobicContact CD2-CG2 4Å; M177-V327 HydrophobicContact CE-CG1 4.12Å; Y208-V327 HydrophobicContact CD2-CG1 3.96Å; Y208-V327 HydrophobicContact CE2-CG1 3.95Å; L324-V327 PolarHBondContact O-N 2.63Å; V327-M329 PolarHBondContact O-N 2.95Å; V327-Q330 PolarHBondContact O-N 3.43Å; V327-R331 PolarHBondContact O-N 3.32Å |
| 328 | P | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 178.5 | -25.9 | 37.1 | 0 | 0 | 0 | 113.5 | Y208 L212 I239 L242 Y279 Y282 L325 M326 Q330 R331 V332 | Y208-P328 HydrophobicContact CE2-CG 4.47Å; Y208-P328 WeakPolarHBondContact OH-CA 3.49Å; Y208-P328 VanDerWaalsContact OH-CB 3.26Å; Y208-P328 WeakPolarHBondContact OH-CB 3.46Å; L212-P328 HydrophobicContact CD2-CG 4.12Å; I239-P328 HydrophobicContact CD1-CG 3.79Å; L242-P328 HydrophobicContact CD1-CB 4.22Å; Y279-P328 HydrophobicContact CE1-CB 3.73Å; Y279-P328 WeakPolarHBondContact CE1-O 3.36Å; Y282-P328 HydrophobicContact CD1-CB 3.95Å; Y282-P328 HydrophobicContact CE1-CB 3.57Å; Y282-P328 HydrophobicContact CE1-CG 3.7Å; L325-P328 WeakPolarHBondContact O-CD 3.43Å; M326-P328 VanDerWaalsContact C-CD 3.47Å; P328-Q330 PolarHBondContact O-N 3.27Å; P328-R331 PolarHBondContact O-N 3.32Å; P328-V332 PolarHBondContact O-N 3.48Å |
| 329 | M | 85.4 | Confident | 91 | Very high | 24 Ų | 24 | 22.8 Ų | 22.8 | 12% | 0.118 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.1 | -30.8 | 179.4 | 176 | 168.2 | 165.9 | 0 | 0 | 111.7 | V286 M326 V327 V332 L333 K373 | V286-M329 HydrophobicContact CG1-SD 4.36Å; M326-M329 PolarHBondContact O-N 3.46Å; M326-M329 VanDerWaalsContact O-N 3.12Å; V327-M329 PolarHBondContact O-N 2.95Å; M329-V332 VanDerWaalsContact O-CG1 3.29Å; M329-V332 WeakPolarHBondContact O-CG1 3.29Å; M329-L333 WeakPolarHBondContact O-CG 3.4Å; M329-K373 HydrophobicContact CE-CD 4.38Å |
| 330 | Q | 85 | Confident | 91.2 | Very high | 12 Ų | 12 | 26.1 Ų | 26.1 | 6% | 0.056 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -80.3 | -42.5 | 178.4 | -55 | 177.9 | -88.6 | 0 | 0 | 111.5 | G169 D170 Y173 V327 P328 V332 L333 K334 | G169-Q330 VanDerWaalsContact C-CD 3.48Å; G169-Q330 VanDerWaalsContact O-CD 3.27Å; G169-Q330 PolarHBondContact O-NE2 2.98Å; G169-Q330 PolarHBondContact O-OE1 3.11Å; G169-Q330 VanDerWaalsContact O-OE1 3.12Å; D170-Q330 PolarHBondContact OD1-NE2 3.28Å; Y173-Q330 VanDerWaalsContact CB-NE2 3.26Å; Y173-Q330 HydrophobicContact CD2-CB 3.76Å; Y173-Q330 HydrophobicContact CE2-CB 4.39Å; Y173-Q330 HydrophobicContact CG-CB 4.07Å; V327-Q330 PolarHBondContact O-N 3.43Å; P328-Q330 PolarHBondContact O-N 3.27Å; Q330-V332 VanDerWaalsContact C-N 3.29Å; Q330-V332 PolarHBondContact O-N 2.98Å; Q330-L333 WeakPolarHBondContact O-CB 3.23Å; Q330-L333 PolarHBondContact O-N 2.84Å; Q330-K334 WeakPolarHBondContact O-CG 3.18Å; Q330-K334 PolarHBondContact O-N 3.05Å |
| 331 | R | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -54.8 | -46.2 | -179.2 | -180 | 60.5 | 178.9 | 173.6 | 1.6 | 112.1 | Y173 T204 E205 Y208 V327 P328 L333 K334 Y335 | Y173-R331 HydrophobicContact CE2-CB 4.01Å; Y173-R331 VanDerWaalsContact OH-CD 3.29Å; Y173-R331 WeakPolarHBondContact OH-CD 3.32Å; Y173-R331 PolarHBondContact OH-NH1 3.11Å; T204-R331 VanDerWaalsContact CB-NH1 3.3Å; T204-R331 PolarHBondContact OG1-NH1 3.02Å; T204-R331 PolarHBondContact OG1-NH2 3.15Å; E205-R331 IonicContact OE2-CZ 2.72Å; E205-R331 IonicContact OE2-NE 2.81Å; E205-R331 PolarHBondContact OE2-NE 3.48Å; E205-R331 VanDerWaalsContact OE2-NE 3.17Å; E205-R331 IonicContact OE2-NH2 2.79Å; E205-R331 PolarHBondContact OE2-NH2 3.34Å; Y208-R331 HydrophobicContact CD1-CB 4.42Å; Y208-R331 HydrophobicContact CD1-CG 3.64Å; Y208-R331 HydrophobicContact CD2-CB 3.85Å; Y208-R331 HydrophobicContact CD2-CG 3.85Å; Y208-R331 HydrophobicContact CE1-CB 4.2Å; Y208-R331 HydrophobicContact CE1-CG 3.71Å; Y208-R331 HydrophobicContact CE2-CB 3.63Å; Y208-R331 HydrophobicContact CE2-CG 3.95Å; Y208-R331 HydrophobicContact CG-CB 4.25Å; Y208-R331 HydrophobicContact CG-CG 3.71Å; V327-R331 PolarHBondContact O-N 3.32Å; P328-R331 PolarHBondContact O-N 3.32Å; R331-L333 PolarHBondContact O-N 3.17Å; R331-K334 PolarHBondContact O-N 3.23Å; R331-Y335 HydrophobicContact CG-CE2 4.11Å; R331-Y335 PolarHBondContact NE-OH 3.36Å |
| 332 | V | 91.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.6 | -28.6 | -178.5 | 67.6 | 0 | 0 | 0 | 0 | 112.4 | Y279 P328 M329 Q330 L365 V369 | Y279-V332 HydrophobicContact CD1-CB 3.89Å; Y279-V332 HydrophobicContact CD1-CG1 3.88Å; Y279-V332 HydrophobicContact CD1-CG2 4.43Å; Y279-V332 HydrophobicContact CD2-CB 4.22Å; Y279-V332 HydrophobicContact CD2-CG2 4.05Å; Y279-V332 HydrophobicContact CE1-CB 3.98Å; Y279-V332 HydrophobicContact CE1-CG1 4.27Å; Y279-V332 HydrophobicContact CE2-CB 4.32Å; Y279-V332 HydrophobicContact CE2-CG2 4.45Å; Y279-V332 HydrophobicContact CG-CB 3.99Å; Y279-V332 HydrophobicContact CG-CG1 4.21Å; Y279-V332 HydrophobicContact CG-CG2 4.02Å; P328-V332 PolarHBondContact O-N 3.48Å; M329-V332 VanDerWaalsContact O-CG1 3.29Å; M329-V332 WeakPolarHBondContact O-CG1 3.29Å; Q330-V332 VanDerWaalsContact C-N 3.29Å; Q330-V332 PolarHBondContact O-N 2.98Å; V332-L365 HydrophobicContact CG2-CD2 3.67Å; V332-L365 HydrophobicContact CG2-CG 3.87Å; V332-V369 HydrophobicContact CG1-CG2 4.43Å; V332-V369 HydrophobicContact CG2-CG2 4.33Å |
| 333 | L | 85.4 | Confident | 91.4 | Very high | 48 Ų | 48 | 24.7 Ų | 24.7 | 25% | 0.251 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -82.3 | -13.9 | 177.1 | -58.2 | 177.7 | 0 | 0 | 0 | 113.4 | M329 Q330 R331 H336 A366 | M329-L333 WeakPolarHBondContact O-CG 3.4Å; Q330-L333 WeakPolarHBondContact O-CB 3.23Å; Q330-L333 PolarHBondContact O-N 2.84Å; R331-L333 PolarHBondContact O-N 3.17Å; L333-H336 PolarHBondContact O-CD2 3.48Å; L333-H336 PolarHBondContact O-NE2 3.02Å; L333-A366 HydrophobicContact CD2-CB 3.83Å |
| 334 | K | 89.6 | Confident | 91.7 | Very high | 27 Ų | 27 | 29.4 Ų | 29.4 | 12% | 0.117 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -88.5 | -19.6 | 179.6 | -56.8 | -74.3 | 178.6 | 167.6 | 0 | 112.9 | D170 Y173 E174 Q330 R331 H336 L337 L338 | D170-K334 IonicContact OD1-NZ 3.54Å; D170-K334 PolarHBondContact OD1-NZ 3.13Å; D170-K334 IonicContact OD2-NZ 3.42Å; D170-K334 PolarHBondContact OD2-NZ 3.25Å; Y173-K334 HydrophobicContact CD1-CG 4.42Å; Y173-K334 HydrophobicContact CE1-CD 4.05Å; Y173-K334 HydrophobicContact CE1-CG 3.66Å; E174-K334 IonicContact OE1-NZ 3.51Å; E174-K334 PolarHBondContact OE1-NZ 3.28Å; Q330-K334 WeakPolarHBondContact O-CG 3.18Å; Q330-K334 PolarHBondContact O-N 3.05Å; R331-K334 PolarHBondContact O-N 3.23Å; K334-H336 PolarHBondContact O-N 2.83Å; K334-L337 HydrophobicContact CD-CD1 4.15Å; K334-L337 WeakPolarHBondContact O-CB 3.37Å; K334-L337 PolarHBondContact O-N 3.27Å; K334-L337 VanDerWaalsContact O-N 3.11Å; K334-L338 WeakPolarHBondContact O-CG 3.29Å; K334-L338 PolarHBondContact O-N 3.01Å |
| 335 | Y | 95.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.2 | -43.3 | -178 | -72.1 | -58.7 | 0 | 0 | 0 | 113.8 | E205 H246 L249 F269 R331 L337 L338 L339 M362 | E205-Y335 PolarHBondContact OE1-OH 3.06Å; E205-Y335 WeakPolarHBondContact OE2-CE1 3.29Å; E205-Y335 PolarHBondContact OE2-OH 3.02Å; H246-Y335 PolarHBondContact CE1-OH 3.21Å; H246-Y335 PolarHBondContact ND1-OH 3.45Å; L249-Y335 HydrophobicContact CD2-CE1 4.49Å; F269-Y335 HydrophobicContact CD1-CD1 4.49Å; F269-Y335 AromaticContact CE1-CD1 3.59Å; F269-Y335 HydrophobicContact CE1-CD1 3.59Å; F269-Y335 AromaticContact CE1-CE1 3.94Å; F269-Y335 HydrophobicContact CE1-CE1 3.94Å; F269-Y335 HydrophobicContact CE1-CG 4.3Å; F269-Y335 HydrophobicContact CZ-CD1 4.25Å; R331-Y335 HydrophobicContact CG-CE2 4.11Å; R331-Y335 PolarHBondContact NE-OH 3.36Å; Y335-L337 VanDerWaalsContact C-N 3.32Å; Y335-L337 PolarHBondContact O-N 3.22Å; Y335-L338 PolarHBondContact O-N 3.27Å; Y335-L339 WeakPolarHBondContact O-CG 3.5Å; Y335-L339 PolarHBondContact O-N 3Å; Y335-M362 HydrophobicContact CD2-SD 4.47Å; Y335-M362 HydrophobicContact CG-SD 4.29Å |
| 336 | H | 92.9 | Very high | 91.7 | Very high | 38 Ų | 38 | 31.3 Ų | 31.3 | 18% | 0.176 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.3 | -31.3 | 178.6 | 70.3 | 80.7 | 0 | 0 | 0 | 112.3 | L333 K334 Q340 L359 M362 R363 | L333-H336 PolarHBondContact O-CD2 3.48Å; L333-H336 PolarHBondContact O-NE2 3.02Å; K334-H336 PolarHBondContact O-N 2.83Å; H336-Q340 WeakPolarHBondContact O-CB 3.17Å; H336-Q340 PolarHBondContact O-N 3.34Å; H336-L359 HydrophobicContact CB-CD1 3.88Å; H336-L359 WeakPolarHBondContact O-CD1 3.41Å; H336-M362 HydrophobicContact CB-CB 4.15Å; H336-R363 HydrophobicContact CB-CG 3.73Å |
| 337 | L | 90.4 | Very high | 91.9 | Very high | 85 Ų | 85 | 36 Ų | 36 | 45% | 0.445 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -68.9 | -45.6 | 176.1 | -60 | 177.4 | 0 | 0 | 0 | 110.9 | K334 Y335 Q340 E341 | K334-L337 HydrophobicContact CD-CD1 4.15Å; K334-L337 WeakPolarHBondContact O-CB 3.37Å; K334-L337 PolarHBondContact O-N 3.27Å; K334-L337 VanDerWaalsContact O-N 3.11Å; Y335-L337 VanDerWaalsContact C-N 3.32Å; Y335-L337 PolarHBondContact O-N 3.22Å; L337-Q340 WeakPolarHBondContact O-CB 3.29Å; L337-Q340 PolarHBondContact O-N 3.17Å; L337-E341 PolarHBondContact O-N 3.49Å |
| 338 | L | 93 | Very high | 92 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 10% | 0.099 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 177.3 | -69.1 | 168.5 | 0 | 0 | 0 | 111.9 | E200 I201 K334 Y335 Q340 E341 L342 | E200-L338 HydrophobicContact CG-CD2 4.04Å; I201-L338 HydrophobicContact CD1-CB 4.37Å; I201-L338 HydrophobicContact CG1-CB 3.86Å; I201-L338 HydrophobicContact CG1-CD1 4.33Å; I201-L338 HydrophobicContact CG1-CD2 4.42Å; I201-L338 HydrophobicContact CG1-CG 4.44Å; K334-L338 WeakPolarHBondContact O-CG 3.29Å; K334-L338 PolarHBondContact O-N 3.01Å; Y335-L338 PolarHBondContact O-N 3.27Å; L338-Q340 VanDerWaalsContact C-N 3.33Å; L338-Q340 PolarHBondContact O-N 2.74Å; L338-E341 PolarHBondContact O-N 3.2Å; L338-L342 WeakPolarHBondContact O-CB 3.11Å; L338-L342 PolarHBondContact O-N 3.28Å |
| 339 | L | 96.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.6 | -33.4 | 176.4 | -71.7 | 178.1 | 0 | 0 | 0 | 112.5 | I201 F269 Y335 L342 L343 L355 L359 M362 | I201-L339 HydrophobicContact CD1-CD2 4.47Å; F269-L339 HydrophobicContact CB-CD1 4.4Å; F269-L339 HydrophobicContact CD2-CD1 4.05Å; F269-L339 HydrophobicContact CD2-CD2 3.95Å; F269-L339 HydrophobicContact CD2-CG 4.48Å; F269-L339 HydrophobicContact CE2-CD1 4.48Å; F269-L339 HydrophobicContact CE2-CD2 3.86Å; F269-L339 HydrophobicContact CE2-CG 4.47Å; F269-L339 HydrophobicContact CG-CD1 4.07Å; Y335-L339 WeakPolarHBondContact O-CG 3.5Å; Y335-L339 PolarHBondContact O-N 3Å; L339-L342 HydrophobicContact CD2-CD2 4.4Å; L339-L342 PolarHBondContact O-N 2.95Å; L339-L343 VanDerWaalsContact O-CB 3.3Å; L339-L343 WeakPolarHBondContact O-CB 3.45Å; L339-L343 PolarHBondContact O-N 3.11Å; L339-L355 HydrophobicContact CD2-CD2 4.47Å; L339-L359 HydrophobicContact CB-CB 4.31Å; L339-L359 HydrophobicContact CB-CD1 4.11Å; L339-M362 HydrophobicContact CD1-CB 4.31Å; L339-M362 HydrophobicContact CD1-CG 3.68Å |
| 340 | Q | 94.5 | Very high | 92.3 | Very high | 86 Ų | 86 | 46.7 Ų | 46.7 | 40% | 0.402 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 176 | 176.6 | 170.8 | -15.4 | 0 | 0 | 111.8 | H336 L337 L338 L343 K344 L359 | H336-Q340 WeakPolarHBondContact O-CB 3.17Å; H336-Q340 PolarHBondContact O-N 3.34Å; L337-Q340 WeakPolarHBondContact O-CB 3.29Å; L337-Q340 PolarHBondContact O-N 3.17Å; L338-Q340 VanDerWaalsContact C-N 3.33Å; L338-Q340 PolarHBondContact O-N 2.74Å; Q340-L343 PolarHBondContact O-N 3.1Å; Q340-K344 PolarHBondContact O-N 2.91Å; Q340-L359 HydrophobicContact CB-CD1 4.08Å; Q340-L359 HydrophobicContact CB-CD2 4.22Å |
| 341 | E | 92.3 | Very high | 92.6 | Very high | 70 Ų | 70 | 46.8 Ų | 46.8 | 33% | 0.327 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.1 | -38.2 | 176.1 | -164.3 | 62.8 | -161.7 | 0 | 0 | 111.3 | L337 L338 L343 K344 H345 | L337-E341 PolarHBondContact O-N 3.49Å; L338-E341 PolarHBondContact O-N 3.2Å; E341-L343 VanDerWaalsContact C-N 3.34Å; E341-L343 PolarHBondContact O-N 3.27Å; E341-K344 WeakPolarHBondContact O-CB 3.31Å; E341-K344 PolarHBondContact O-N 3.3Å; E341-K344 IonicContact OE1-NZ 2.75Å; E341-K344 PolarHBondContact OE1-NZ 2.82Å; E341-K344 WeakPolarHBondContact OE2-CD 3.37Å; E341-K344 IonicContact OE2-NZ 3.76Å; E341-K344 PolarHBondContact OE2-NZ 3.25Å; E341-K344 VanDerWaalsContact OE2-NZ 3.17Å; E341-H345 PolarHBondContact O-CD2 3.34Å; E341-H345 PolarHBondContact O-N 3.24Å; E341-H345 IonicContact OE1-CD2 3.26Å; E341-H345 IonicContact OE1-CE1 3.66Å; E341-H345 IonicContact OE1-NE2 3.17Å; E341-H345 PolarHBondContact OE1-NE2 3.12Å |
| 342 | L | 94.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 172.6 | 179.3 | 64.1 | 0 | 0 | 0 | 112.3 | R194 C197 L198 I201 L265 L338 L339 K344 H345 T346 L355 | R194-L342 HydrophobicContact CG-CD1 3.76Å; C197-L342 HydrophobicContact CB-CB 4.1Å; C197-L342 HydrophobicContact CB-CD1 3.88Å; L198-L342 HydrophobicContact CD2-CD1 3.81Å; L198-L342 HydrophobicContact CD2-CD2 3.76Å; L198-L342 HydrophobicContact CD2-CG 4.47Å; L198-L342 HydrophobicContact CG-CD1 3.88Å; I201-L342 HydrophobicContact CD1-CD2 4.02Å; L265-L342 HydrophobicContact CD2-CD2 3.92Å; L338-L342 WeakPolarHBondContact O-CB 3.11Å; L338-L342 PolarHBondContact O-N 3.28Å; L339-L342 HydrophobicContact CD2-CD2 4.4Å; L339-L342 PolarHBondContact O-N 2.95Å; L342-K344 VanDerWaalsContact C-N 3.29Å; L342-K344 PolarHBondContact O-N 3.39Å; L342-H345 PolarHBondContact O-N 2.75Å; L342-T346 PolarHBondContact O-N 3.43Å; L342-T346 VanDerWaalsContact O-N 3.11Å; L342-T346 PolarHBondContact O-OG1 3.19Å; L342-L355 HydrophobicContact CD2-CD1 4.19Å; L342-L355 HydrophobicContact CD2-CD2 3.85Å; L342-L355 HydrophobicContact CG-CD1 4.11Å |
| 343 | L | 94.8 | Very high | 92.7 | Very high | 25 Ų | 25 | 54.7 Ų | 54.7 | 13% | 0.131 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 178.7 | -179.8 | 67.6 | 0 | 0 | 0 | 112 | L339 Q340 E341 H345 T346 K352 L355 R356 L359 | L339-L343 VanDerWaalsContact O-CB 3.3Å; L339-L343 WeakPolarHBondContact O-CB 3.45Å; L339-L343 PolarHBondContact O-N 3.11Å; Q340-L343 PolarHBondContact O-N 3.1Å; E341-L343 VanDerWaalsContact C-N 3.34Å; E341-L343 PolarHBondContact O-N 3.27Å; L343-H345 VanDerWaalsContact C-N 3.32Å; L343-H345 PolarHBondContact O-N 3.39Å; L343-T346 PolarHBondContact O-N 3.2Å; L343-K352 HydrophobicContact CD1-CB 3.98Å; L343-K352 HydrophobicContact CD1-CG 3.93Å; L343-K352 WeakPolarHBondContact CD1-O 3.36Å; L343-L355 HydrophobicContact CD1-CB 3.88Å; L343-R356 HydrophobicContact CD2-CB 4.5Å; L343-L359 HydrophobicContact CD2-CD2 3.99Å |
| 344 | K | 94.6 | Very high | 93.2 | Very high | 138 Ų | 138 | 54.7 Ų | 54.7 | 60% | 0.6 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.4 | -35.4 | 180 | -176.7 | -174.8 | 173.4 | -168.1 | 0 | 112.7 | Q340 E341 L342 | Q340-K344 PolarHBondContact O-N 2.91Å; E341-K344 WeakPolarHBondContact O-CB 3.31Å; E341-K344 PolarHBondContact O-N 3.3Å; E341-K344 IonicContact OE1-NZ 2.75Å; E341-K344 PolarHBondContact OE1-NZ 2.82Å; E341-K344 WeakPolarHBondContact OE2-CD 3.37Å; E341-K344 IonicContact OE2-NZ 3.76Å; E341-K344 PolarHBondContact OE2-NZ 3.25Å; E341-K344 VanDerWaalsContact OE2-NZ 3.17Å; L342-K344 VanDerWaalsContact C-N 3.29Å; L342-K344 PolarHBondContact O-N 3.39Å |
| 345 | H | 92.9 | Very high | 93.4 | Very high | 45 Ų | 45 | 53.5 Ų | 53.5 | 21% | 0.208 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -97.2 | -2.3 | -179.5 | -56.8 | -58.9 | 0 | 0 | 0 | 114 | K193 R194 E341 L342 L343 | K193-H345 HydrophobicContact CB-CB 4.17Å; R194-H345 HydrophobicContact CB-CB 4.22Å; E341-H345 PolarHBondContact O-CD2 3.34Å; E341-H345 PolarHBondContact O-N 3.24Å; E341-H345 IonicContact OE1-CD2 3.26Å; E341-H345 IonicContact OE1-CE1 3.66Å; E341-H345 IonicContact OE1-NE2 3.17Å; E341-H345 PolarHBondContact OE1-NE2 3.12Å; L342-H345 PolarHBondContact O-N 2.75Å; L343-H345 VanDerWaalsContact C-N 3.32Å; L343-H345 PolarHBondContact O-N 3.39Å |
| 346 | T | 92.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | trans | -77.1 | 141.9 | 170.9 | -61.8 | 0 | 0 | 0 | 0 | 109.5 | R194 L342 L343 D351 K352 L355 | R194-T346 PolarHBondContact NE-OG1 2.98Å; L342-T346 PolarHBondContact O-N 3.43Å; L342-T346 VanDerWaalsContact O-N 3.11Å; L342-T346 PolarHBondContact O-OG1 3.19Å; L343-T346 PolarHBondContact O-N 3.2Å; T346-D351 HydrophobicContact CG2-CB 3.91Å; T346-D351 WeakPolarHBondContact CG2-OD2 3.26Å; T346-K352 HydrophobicContact CG2-CG 4.04Å; T346-K352 WeakPolarHBondContact O-CE 3.49Å; T346-K352 PolarHBondContact O-NZ 2.84Å; T346-L355 HydrophobicContact CG2-CD1 4.19Å; T346-L355 WeakPolarHBondContact OG1-CD1 3.15Å | ||
| 347 | T | 91.6 | Very high | 93.5 | Very high | 131 Ų | 131 | 59 Ų | 59 | 80% | 0.804 | 31% | 0.313 | S | S | * | . | trans | -111.8 | -33.7 | -178.9 | 51.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 348 | D | 92.4 | Very high | 93.7 | Very high | 87 Ų | 87 | 54.9 Ų | 54.9 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | trans | -63.6 | 132.2 | 177.6 | -177.8 | -96.8 | 0 | 0 | 0 | 111.7 | V350 D351 K352 | D348-V350 WeakPolarHBondContact OD1-CB 3.49Å; D348-V350 PolarHBondContact OD1-N 2.9Å; D348-D351 HydrophobicContact CB-CB 3.97Å; D348-D351 PolarHBondContact OD1-N 3.05Å; D348-K352 WeakPolarHBondContact O-CB 3.35Å; D348-K352 VanDerWaalsContact O-CG 3.31Å; D348-K352 WeakPolarHBondContact O-CG 3.41Å; D348-K352 PolarHBondContact O-N 2.69Å | ||
| 349 | A | 92.4 | Very high | 93.8 | Very high | 66 Ų | 66 | 54.2 Ų | 54.2 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.2 | -37.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K352 D353 | A349-K352 WeakPolarHBondContact O-CB 3.36Å; A349-K352 PolarHBondContact O-N 3.2Å; A349-D353 PolarHBondContact O-N 2.98Å; A349-D353 VanDerWaalsContact O-N 3.09Å |
| 350 | V | 92.9 | Very high | 93.6 | Very high | 96 Ų | 96 | 57.3 Ų | 57.3 | 58% | 0.582 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -71.4 | -44.1 | -179.4 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | D348 K352 D353 N354 | D348-V350 WeakPolarHBondContact OD1-CB 3.49Å; D348-V350 PolarHBondContact OD1-N 2.9Å; V350-K352 VanDerWaalsContact C-N 3.31Å; V350-K352 PolarHBondContact O-N 3.49Å; V350-D353 PolarHBondContact O-N 2.83Å; V350-N354 WeakPolarHBondContact O-CB 3.49Å; V350-N354 VanDerWaalsContact O-CG 3.24Å; V350-N354 PolarHBondContact O-N 3.09Å; V350-N354 PolarHBondContact O-ND2 3.44Å |
| 351 | D | 91.7 | Very high | 93.5 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 8% | 0.08 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -38.6 | 174.9 | -163.4 | 29.3 | 0 | 0 | 0 | 111.4 | R194 T346 D348 N354 L355 | R194-D351 IonicContact CZ-OD2 3.82Å; R194-D351 IonicContact NE-OD2 2.77Å; R194-D351 IonicContact NH2-OD2 2.77Å; R194-D351 PolarHBondContact NH2-OD2 3.39Å; T346-D351 HydrophobicContact CG2-CB 3.91Å; T346-D351 WeakPolarHBondContact CG2-OD2 3.26Å; D348-D351 HydrophobicContact CB-CB 3.97Å; D348-D351 PolarHBondContact OD1-N 3.05Å; D351-N354 PolarHBondContact O-N 3.27Å; D351-L355 VanDerWaalsContact O-CB 3.29Å; D351-L355 WeakPolarHBondContact O-CB 3.36Å; D351-L355 VanDerWaalsContact O-CG 3.3Å; D351-L355 WeakPolarHBondContact O-CG 3.32Å; D351-L355 PolarHBondContact O-N 3.23Å |
| 352 | K | 93.6 | Very high | 93.6 | Very high | 71 Ų | 71 | 50.3 Ų | 50.3 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 172.5 | -84.8 | -173.6 | -178.1 | -176.2 | 0 | 113.1 | L343 T346 D348 A349 V350 N354 L355 R356 | L343-K352 HydrophobicContact CD1-CB 3.98Å; L343-K352 HydrophobicContact CD1-CG 3.93Å; L343-K352 WeakPolarHBondContact CD1-O 3.36Å; T346-K352 HydrophobicContact CG2-CG 4.04Å; T346-K352 WeakPolarHBondContact O-CE 3.49Å; T346-K352 PolarHBondContact O-NZ 2.84Å; D348-K352 WeakPolarHBondContact O-CB 3.35Å; D348-K352 VanDerWaalsContact O-CG 3.31Å; D348-K352 WeakPolarHBondContact O-CG 3.41Å; D348-K352 PolarHBondContact O-N 2.69Å; A349-K352 WeakPolarHBondContact O-CB 3.36Å; A349-K352 PolarHBondContact O-N 3.2Å; V350-K352 VanDerWaalsContact C-N 3.31Å; V350-K352 PolarHBondContact O-N 3.49Å; K352-N354 VanDerWaalsContact C-N 3.33Å; K352-L355 PolarHBondContact O-N 3.14Å; K352-R356 WeakPolarHBondContact O-CB 3.38Å; K352-R356 PolarHBondContact O-N 2.92Å |
| 353 | D | 93.3 | Very high | 93.4 | Very high | 95 Ų | 95 | 54.8 Ų | 54.8 | 51% | 0.508 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.5 | -38.2 | -178.2 | -73.6 | -18.6 | 0 | 0 | 0 | 111.2 | A349 V350 R356 A357 | A349-D353 PolarHBondContact O-N 2.98Å; A349-D353 VanDerWaalsContact O-N 3.09Å; V350-D353 PolarHBondContact O-N 2.83Å; D353-R356 PolarHBondContact O-N 2.94Å; D353-R356 IonicContact OD1-CZ 3.23Å; D353-R356 IonicContact OD1-NH1 2.83Å; D353-R356 PolarHBondContact OD1-NH1 3.43Å; D353-A357 PolarHBondContact O-N 3.17Å; D353-A357 VanDerWaalsContact O-N 3.15Å |
| 354 | N | 94.8 | Very high | 93.1 | Very high | 47 Ų | 47 | 53.8 Ų | 53.8 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.3 | -50.1 | 172.8 | -74.6 | -17.6 | 0 | 0 | 0 | 112.2 | Y266 V350 D351 K352 R356 A357 G358 | Y266-N354 WeakPolarHBondContact CB-O 3.49Å; Y266-N354 HydrophobicContact CD1-CB 3.59Å; Y266-N354 HydrophobicContact CD2-CB 3.9Å; Y266-N354 WeakPolarHBondContact CD2-O 3.28Å; Y266-N354 HydrophobicContact CE1-CB 3.67Å; Y266-N354 HydrophobicContact CE2-CB 4Å; Y266-N354 HydrophobicContact CG-CB 3.7Å; V350-N354 WeakPolarHBondContact O-CB 3.49Å; V350-N354 VanDerWaalsContact O-CG 3.24Å; V350-N354 PolarHBondContact O-N 3.09Å; V350-N354 PolarHBondContact O-ND2 3.44Å; D351-N354 PolarHBondContact O-N 3.27Å; K352-N354 VanDerWaalsContact C-N 3.33Å; N354-R356 VanDerWaalsContact C-N 3.27Å; N354-R356 PolarHBondContact O-N 3.48Å; N354-A357 WeakPolarHBondContact O-CB 3.25Å; N354-A357 PolarHBondContact O-N 2.9Å; N354-A357 VanDerWaalsContact O-N 3.13Å; N354-G358 PolarHBondContact O-N 2.9Å; N354-G358 VanDerWaalsContact O-N 3.14Å |
| 355 | L | 95.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -33.5 | 176.3 | -76.1 | 172.9 | 0 | 0 | 0 | 112.2 | L339 L342 L343 T346 D351 K352 A357 G358 L359 | L339-L355 HydrophobicContact CD2-CD2 4.47Å; L342-L355 HydrophobicContact CD2-CD1 4.19Å; L342-L355 HydrophobicContact CD2-CD2 3.85Å; L342-L355 HydrophobicContact CG-CD1 4.11Å; L343-L355 HydrophobicContact CD1-CB 3.88Å; T346-L355 HydrophobicContact CG2-CD1 4.19Å; T346-L355 WeakPolarHBondContact OG1-CD1 3.15Å; D351-L355 VanDerWaalsContact O-CB 3.29Å; D351-L355 WeakPolarHBondContact O-CB 3.36Å; D351-L355 VanDerWaalsContact O-CG 3.3Å; D351-L355 WeakPolarHBondContact O-CG 3.32Å; D351-L355 PolarHBondContact O-N 3.23Å; K352-L355 PolarHBondContact O-N 3.14Å; L355-A357 VanDerWaalsContact C-N 3.34Å; L355-G358 PolarHBondContact O-N 2.91Å; L355-L359 WeakPolarHBondContact O-CB 3.33Å; L355-L359 PolarHBondContact O-N 3.48Å |
| 356 | R | 95.6 | Very high | 92.4 | Very high | 111 Ų | 111 | 45.4 Ų | 45.4 | 42% | 0.419 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 173.4 | -171.5 | 175.8 | -65.9 | 120.7 | 3.2 | 111.3 | L343 K352 D353 N354 G358 L359 D360 | L343-R356 HydrophobicContact CD2-CB 4.5Å; K352-R356 WeakPolarHBondContact O-CB 3.38Å; K352-R356 PolarHBondContact O-N 2.92Å; D353-R356 PolarHBondContact O-N 2.94Å; D353-R356 IonicContact OD1-CZ 3.23Å; D353-R356 IonicContact OD1-NH1 2.83Å; D353-R356 PolarHBondContact OD1-NH1 3.43Å; N354-R356 VanDerWaalsContact C-N 3.27Å; N354-R356 PolarHBondContact O-N 3.48Å; R356-G358 VanDerWaalsContact C-N 3.34Å; R356-G358 PolarHBondContact O-N 2.86Å; R356-L359 WeakPolarHBondContact O-CB 3.32Å; R356-L359 PolarHBondContact O-N 3.26Å; R356-D360 WeakPolarHBondContact O-CB 3.5Å; R356-D360 VanDerWaalsContact O-CG 3.28Å; R356-D360 PolarHBondContact O-N 3.25Å |
| 357 | A | 94.1 | Very high | 92.1 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I270 D353 N354 L355 A361 | I270-A357 HydrophobicContact CD1-CB 4.1Å; D353-A357 PolarHBondContact O-N 3.17Å; D353-A357 VanDerWaalsContact O-N 3.15Å; N354-A357 WeakPolarHBondContact O-CB 3.25Å; N354-A357 PolarHBondContact O-N 2.9Å; N354-A357 VanDerWaalsContact O-N 3.13Å; L355-A357 VanDerWaalsContact C-N 3.34Å; A357-A361 PolarHBondContact O-N 3.45Å; A357-A361 VanDerWaalsContact O-N 3.1Å |
| 358 | G | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.5 | -41.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | N354 L355 R356 A361 M362 | N354-G358 PolarHBondContact O-N 2.9Å; N354-G358 VanDerWaalsContact O-N 3.14Å; L355-G358 PolarHBondContact O-N 2.91Å; R356-G358 VanDerWaalsContact C-N 3.34Å; R356-G358 PolarHBondContact O-N 2.86Å; G358-A361 WeakPolarHBondContact O-CB 3.36Å; G358-A361 PolarHBondContact O-N 3.15Å; G358-M362 PolarHBondContact O-N 3.13Å; G358-M362 VanDerWaalsContact O-N 3.13Å |
| 359 | L | 95.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -47.6 | 175.5 | 172.5 | 60.1 | 0 | 0 | 0 | 111.4 | H336 L339 Q340 L343 L355 R356 A361 M362 R363 | H336-L359 HydrophobicContact CB-CD1 3.88Å; H336-L359 WeakPolarHBondContact O-CD1 3.41Å; L339-L359 HydrophobicContact CB-CB 4.31Å; L339-L359 HydrophobicContact CB-CD1 4.11Å; Q340-L359 HydrophobicContact CB-CD1 4.08Å; Q340-L359 HydrophobicContact CB-CD2 4.22Å; L343-L359 HydrophobicContact CD2-CD2 3.99Å; L355-L359 WeakPolarHBondContact O-CB 3.33Å; L355-L359 PolarHBondContact O-N 3.48Å; R356-L359 WeakPolarHBondContact O-CB 3.32Å; R356-L359 PolarHBondContact O-N 3.26Å; L359-A361 VanDerWaalsContact C-N 3.26Å; L359-A361 PolarHBondContact O-N 3.2Å; L359-M362 PolarHBondContact O-N 2.83Å; L359-M362 VanDerWaalsContact O-N 3.15Å; L359-R363 HydrophobicContact CD1-CG 4.18Å; L359-R363 WeakPolarHBondContact O-CG 3.24Å; L359-R363 PolarHBondContact O-N 2.94Å |
| 360 | D | 91.8 | Very high | 90.5 | Very high | 68 Ų | 68 | 40.5 Ų | 40.5 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62 | -36.5 | 178.5 | -69.9 | -21.5 | 0 | 0 | 0 | 111.2 | R356 R363 D364 | R356-D360 WeakPolarHBondContact O-CB 3.5Å; R356-D360 VanDerWaalsContact O-CG 3.28Å; R356-D360 PolarHBondContact O-N 3.25Å; D360-R363 PolarHBondContact O-N 2.8Å; D360-D364 WeakPolarHBondContact O-CB 3.21Å; D360-D364 PolarHBondContact O-N 2.95Å |
| 361 | A | 91.5 | Very high | 90 | Very high | 7 Ų | 7 | 38 Ų | 38 | 6% | 0.058 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I270 K273 A357 G358 L359 D364 L365 | I270-A361 HydrophobicContact CG1-CB 4.15Å; K273-A361 HydrophobicContact CD-CB 4.05Å; A357-A361 PolarHBondContact O-N 3.45Å; A357-A361 VanDerWaalsContact O-N 3.1Å; G358-A361 WeakPolarHBondContact O-CB 3.36Å; G358-A361 PolarHBondContact O-N 3.15Å; L359-A361 VanDerWaalsContact C-N 3.26Å; L359-A361 PolarHBondContact O-N 3.2Å; A361-D364 PolarHBondContact O-N 2.89Å; A361-L365 PolarHBondContact O-N 3.01Å; A361-L365 VanDerWaalsContact O-N 3.07Å |
| 362 | M | 94.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -75.1 | -31 | 178.4 | -65.4 | -60.6 | 96.2 | 0 | 0 | 113.1 | F269 K273 L276 Y335 H336 L339 G358 L359 L365 A366 | F269-M362 HydrophobicContact CB-CE 4.22Å; F269-M362 HydrophobicContact CB-CG 4.28Å; F269-M362 HydrophobicContact CB-SD 4.35Å; F269-M362 HydrophobicContact CD1-CG 4.09Å; F269-M362 HydrophobicContact CD1-SD 3.74Å; F269-M362 HydrophobicContact CG-CG 4.41Å; F269-M362 HydrophobicContact CG-SD 4.45Å; F269-M362 VanDerWaalsContact O-CE 3.26Å; F269-M362 WeakPolarHBondContact O-CE 3.39Å; K273-M362 HydrophobicContact CB-CE 4.09Å; K273-M362 HydrophobicContact CG-CE 4.49Å; L276-M362 HydrophobicContact CD1-CE 4.48Å; L276-M362 HydrophobicContact CD1-SD 4.36Å; Y335-M362 HydrophobicContact CD2-SD 4.47Å; Y335-M362 HydrophobicContact CG-SD 4.29Å; H336-M362 HydrophobicContact CB-CB 4.15Å; L339-M362 HydrophobicContact CD1-CB 4.31Å; L339-M362 HydrophobicContact CD1-CG 3.68Å; G358-M362 PolarHBondContact O-N 3.13Å; G358-M362 VanDerWaalsContact O-N 3.13Å; L359-M362 PolarHBondContact O-N 2.83Å; L359-M362 VanDerWaalsContact O-N 3.15Å; M362-L365 HydrophobicContact CE-CD2 4.19Å; M362-L365 PolarHBondContact O-N 2.62Å; M362-L365 HydrophobicContact SD-CD2 4.1Å; M362-A366 PolarHBondContact O-N 3.05Å |
| 363 | R | 90.4 | Very high | 88.5 | Confident | 96 Ų | 96 | 36.4 Ų | 36.4 | 36% | 0.362 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.7 | -43.1 | 169.6 | -74.2 | 178.8 | 171.2 | 173.7 | -5 | 111.5 | H336 L359 D360 L365 A366 Q367 | H336-R363 HydrophobicContact CB-CG 3.73Å; L359-R363 HydrophobicContact CD1-CG 4.18Å; L359-R363 WeakPolarHBondContact O-CG 3.24Å; L359-R363 PolarHBondContact O-N 2.94Å; D360-R363 PolarHBondContact O-N 2.8Å; R363-L365 VanDerWaalsContact C-N 3.3Å; R363-L365 PolarHBondContact O-N 2.98Å; R363-A366 PolarHBondContact O-N 2.86Å; R363-Q367 WeakPolarHBondContact O-CG 3.44Å; R363-Q367 PolarHBondContact O-N 3.49Å |
| 364 | D | 87.9 | Confident | 87.9 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.1 | -38.1 | 176.1 | -168.5 | 41.2 | 0 | 0 | 0 | 111.7 | K273 D360 A361 C368 M534 L535 R537 | K273-D364 WeakPolarHBondContact CE-OD2 3.44Å; K273-D364 IonicContact NZ-OD2 3.12Å; K273-D364 PolarHBondContact NZ-OD2 3.4Å; D360-D364 WeakPolarHBondContact O-CB 3.21Å; D360-D364 PolarHBondContact O-N 2.95Å; A361-D364 PolarHBondContact O-N 2.89Å; D364-C368 WeakPolarHBondContact O-CB 3.44Å; D364-C368 PolarHBondContact O-N 2.84Å; D364-M534 HydrophobicContact CB-SD 4.23Å; D364-L535 PolarHBondContact OD2-N 2.81Å; D364-L535 VanDerWaalsContact OD2-N 3.16Å; D364-R537 IonicContact OD1-CZ 3.46Å; D364-R537 IonicContact OD1-NE 2.72Å; D364-R537 PolarHBondContact OD1-NE 2.87Å; D364-R537 IonicContact OD1-NH2 3.1Å; D364-R537 PolarHBondContact OD1-NH2 2.87Å |
| 365 | L | 88.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.4 | -49.5 | 173 | 176.1 | 64 | 0 | 0 | 0 | 111.9 | L276 L277 V332 A361 M362 R363 Q367 C368 V369 | L276-L365 HydrophobicContact CB-CD1 4.11Å; L276-L365 HydrophobicContact CB-CD2 3.61Å; L276-L365 HydrophobicContact CD1-CD2 3.76Å; L276-L365 HydrophobicContact CG-CD2 4.33Å; L277-L365 HydrophobicContact CD2-CD1 3.81Å; V332-L365 HydrophobicContact CG2-CD2 3.67Å; V332-L365 HydrophobicContact CG2-CG 3.87Å; A361-L365 PolarHBondContact O-N 3.01Å; A361-L365 VanDerWaalsContact O-N 3.07Å; M362-L365 HydrophobicContact CE-CD2 4.19Å; M362-L365 PolarHBondContact O-N 2.62Å; M362-L365 HydrophobicContact SD-CD2 4.1Å; R363-L365 VanDerWaalsContact C-N 3.3Å; R363-L365 PolarHBondContact O-N 2.98Å; L365-Q367 VanDerWaalsContact C-N 3.34Å; L365-Q367 PolarHBondContact O-N 2.75Å; L365-C368 WeakPolarHBondContact O-CB 3.35Å; L365-C368 PolarHBondContact O-N 3.06Å; L365-C368 VanDerWaalsContact O-N 3.09Å; L365-V369 PolarHBondContact O-N 2.87Å |
| 366 | A | 84.8 | Confident | 86.5 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 6% | 0.058 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L333 M362 R363 C368 V369 N370 | L333-A366 HydrophobicContact CD2-CB 3.83Å; M362-A366 PolarHBondContact O-N 3.05Å; R363-A366 PolarHBondContact O-N 2.86Å; A366-C368 VanDerWaalsContact C-N 3.32Å; A366-C368 PolarHBondContact O-N 3.09Å; A366-V369 PolarHBondContact O-N 2.88Å; A366-N370 PolarHBondContact O-N 3.49Å; A366-N370 VanDerWaalsContact O-N 3.11Å |
| 367 | Q | 85.3 | Confident | 85.7 | Confident | 91 Ų | 91 | 36 Ų | 36 | 43% | 0.425 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 173.6 | -71.8 | 178.3 | -4.6 | 0 | 0 | 111.7 | R363 L365 V369 N370 E371 | R363-Q367 WeakPolarHBondContact O-CG 3.44Å; R363-Q367 PolarHBondContact O-N 3.49Å; L365-Q367 VanDerWaalsContact C-N 3.34Å; L365-Q367 PolarHBondContact O-N 2.75Å; Q367-V369 PolarHBondContact O-N 3.47Å; Q367-N370 PolarHBondContact O-N 3.17Å; Q367-E371 WeakPolarHBondContact O-CG 3.41Å; Q367-E371 PolarHBondContact O-N 2.98Å |
| 368 | C | 82.9 | Confident | 85.2 | Confident | 12 Ų | 12 | 34.8 Ų | 34.8 | 8% | 0.081 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 177.9 | -169.4 | 0 | 0 | 0 | 0 | 112.3 | L277 D364 L365 A366 N370 E371 V372 R537 | L277-C368 HydrophobicContact CD2-CB 4.32Å; D364-C368 WeakPolarHBondContact O-CB 3.44Å; D364-C368 PolarHBondContact O-N 2.84Å; L365-C368 WeakPolarHBondContact O-CB 3.35Å; L365-C368 PolarHBondContact O-N 3.06Å; L365-C368 VanDerWaalsContact O-N 3.09Å; A366-C368 VanDerWaalsContact C-N 3.32Å; A366-C368 PolarHBondContact O-N 3.09Å; C368-N370 VanDerWaalsContact C-N 3.33Å; C368-N370 PolarHBondContact O-N 3.31Å; C368-E371 PolarHBondContact O-N 2.91Å; C368-V372 VanDerWaalsContact O-CG2 3.29Å; C368-V372 WeakPolarHBondContact O-CG2 3.38Å; C368-V372 PolarHBondContact O-N 2.88Å; C368-R537 HydrophobicContact CB-CB 4.43Å; C368-R537 HydrophobicContact CB-CG 4.15Å |
| 369 | V | 79.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 111 | C283 V332 L365 A366 Q367 V372 K373 | C283-V369 HydrophobicContact CB-CG1 3.8Å; C283-V369 WeakPolarHBondContact SG-CG1 3.33Å; V332-V369 HydrophobicContact CG1-CG2 4.43Å; V332-V369 HydrophobicContact CG2-CG2 4.33Å; L365-V369 PolarHBondContact O-N 2.87Å; A366-V369 PolarHBondContact O-N 2.88Å; Q367-V369 PolarHBondContact O-N 3.47Å; V369-V372 PolarHBondContact O-N 2.91Å; V369-K373 PolarHBondContact O-N 2.84Å |
| 370 | N | 79.6 | Confident | 83.8 | Confident | 75 Ų | 75 | 41.4 Ų | 41.4 | 40% | 0.401 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 177 | -69 | -8.9 | 0 | 0 | 0 | 112.4 | A366 Q367 C368 V372 K373 R374 | A366-N370 PolarHBondContact O-N 3.49Å; A366-N370 VanDerWaalsContact O-N 3.11Å; Q367-N370 PolarHBondContact O-N 3.17Å; C368-N370 VanDerWaalsContact C-N 3.33Å; C368-N370 PolarHBondContact O-N 3.31Å; N370-V372 VanDerWaalsContact C-N 3.3Å; N370-V372 PolarHBondContact O-N 2.86Å; N370-K373 PolarHBondContact O-N 3.06Å; N370-R374 PolarHBondContact O-N 3.08Å |
| 371 | E | 84.1 | Confident | 83.5 | Confident | 45 Ų | 45 | 39.7 Ų | 39.7 | 21% | 0.21 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.6 | -36.3 | 175.1 | -67.5 | -52.8 | 144.7 | 0 | 0 | 112.1 | Q367 C368 R374 D375 R537 | Q367-E371 WeakPolarHBondContact O-CG 3.41Å; Q367-E371 PolarHBondContact O-N 2.98Å; C368-E371 PolarHBondContact O-N 2.91Å; E371-R374 PolarHBondContact O-N 2.94Å; E371-R374 IonicContact OE1-CZ 2.66Å; E371-R374 IonicContact OE1-NH1 2.81Å; E371-R374 PolarHBondContact OE1-NH1 2.95Å; E371-R374 IonicContact OE1-NH2 3.7Å; E371-R374 IonicContact OE2-CZ 2.62Å; E371-R374 IonicContact OE2-NH1 3.8Å; E371-R374 PolarHBondContact OE2-NH1 2.77Å; E371-D375 WeakPolarHBondContact O-CB 3.45Å; E371-D375 PolarHBondContact O-N 3.27Å; E371-R537 HydrophobicContact CB-CB 3.83Å; E371-R537 HydrophobicContact CG-CB 3.55Å; E371-R537 HydrophobicContact CG-CG 4.48Å |
| 372 | V | 79.3 | Confident | 83.3 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 5% | 0.048 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | 175.3 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | G280 C368 V369 N370 D375 N376 T539 | G280-V372 VanDerWaalsContact O-CG1 3.23Å; G280-V372 WeakPolarHBondContact O-CG1 3.23Å; C368-V372 VanDerWaalsContact O-CG2 3.29Å; C368-V372 WeakPolarHBondContact O-CG2 3.38Å; C368-V372 PolarHBondContact O-N 2.88Å; V369-V372 PolarHBondContact O-N 2.91Å; N370-V372 VanDerWaalsContact C-N 3.3Å; N370-V372 PolarHBondContact O-N 2.86Å; V372-D375 PolarHBondContact O-N 3.49Å; V372-N376 PolarHBondContact O-N 2.88Å; V372-N376 VanDerWaalsContact O-N 3.11Å; V372-N376 PolarHBondContact O-ND2 3.37Å; V372-T539 HydrophobicContact CG1-CG2 3.93Å; V372-T539 HydrophobicContact CG2-CG2 4.1Å |
| 373 | K | 73 | Confident | 82.8 | Confident | 43 Ų | 43 | 41.2 Ų | 41.2 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.2 | -49.7 | 173.8 | -173 | 178.7 | -177.2 | -178.2 | 0 | 110.3 | D166 E287 M329 V369 N370 D375 N376 E377 | D166-K373 IonicContact OD1-NZ 3.56Å; D166-K373 IonicContact OD2-NZ 2.83Å; D166-K373 PolarHBondContact OD2-NZ 3.33Å; E287-K373 WeakPolarHBondContact OE1-CE 3.39Å; E287-K373 IonicContact OE1-NZ 3.25Å; M329-K373 HydrophobicContact CE-CD 4.38Å; V369-K373 PolarHBondContact O-N 2.84Å; N370-K373 PolarHBondContact O-N 3.06Å; K373-D375 PolarHBondContact O-N 2.92Å; K373-N376 PolarHBondContact O-N 3.2Å; K373-E377 PolarHBondContact O-N 3Å |
| 374 | R | 80.6 | Confident | 82.5 | Confident | 117 Ų | 117 | 38.6 Ų | 38.6 | 44% | 0.442 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.1 | -46.1 | 179.6 | -168 | -176.4 | -59.7 | 141.8 | 4 | 113 | N370 E371 N376 E377 V378 | N370-R374 PolarHBondContact O-N 3.08Å; E371-R374 PolarHBondContact O-N 2.94Å; E371-R374 IonicContact OE1-CZ 2.66Å; E371-R374 IonicContact OE1-NH1 2.81Å; E371-R374 PolarHBondContact OE1-NH1 2.95Å; E371-R374 IonicContact OE1-NH2 3.7Å; E371-R374 IonicContact OE2-CZ 2.62Å; E371-R374 IonicContact OE2-NH1 3.8Å; E371-R374 PolarHBondContact OE2-NH1 2.77Å; R374-N376 VanDerWaalsContact C-N 3.27Å; R374-N376 PolarHBondContact O-N 2.84Å; R374-E377 WeakPolarHBondContact O-CB 3.34Å; R374-E377 PolarHBondContact O-N 2.84Å; R374-V378 WeakPolarHBondContact O-CG2 3.47Å; R374-V378 PolarHBondContact O-N 3.46Å |
| 375 | D | 84.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.7 | -34.8 | 178.6 | -81.5 | -13.1 | 0 | 0 | 0 | 111.7 | E371 V372 K373 V378 I379 R401 G538 T539 F540 | E371-D375 WeakPolarHBondContact O-CB 3.45Å; E371-D375 PolarHBondContact O-N 3.27Å; V372-D375 PolarHBondContact O-N 3.49Å; K373-D375 PolarHBondContact O-N 2.92Å; D375-V378 PolarHBondContact O-N 2.87Å; D375-I379 WeakPolarHBondContact O-CB 3.42Å; D375-I379 WeakPolarHBondContact O-CD1 3.2Å; D375-I379 VanDerWaalsContact O-CG1 3.23Å; D375-I379 WeakPolarHBondContact O-CG1 3.37Å; D375-I379 PolarHBondContact O-N 3.35Å; D375-R401 IonicContact OD1-CZ 3.91Å; D375-R401 IonicContact OD1-NE 3.86Å; D375-R401 PolarHBondContact OD1-NE 3.26Å; D375-R401 IonicContact OD1-NH2 3.2Å; D375-R401 PolarHBondContact OD1-NH2 2.95Å; D375-R401 IonicContact OD2-NH2 3.05Å; D375-G538 WeakPolarHBondContact OD2-CA 3.4Å; D375-T539 WeakPolarHBondContact CB-OG1 3.49Å; D375-T539 PolarHBondContact OD2-N 2.94Å; D375-F540 HydrophobicContact CB-CB 4.01Å; D375-F540 PolarHBondContact OD2-N 3.25Å |
| 376 | N | 78.1 | Confident | 82.8 | Confident | 37 Ų | 37 | 39.4 Ų | 39.4 | 20% | 0.198 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.6 | -38.6 | 174.1 | -78.3 | -69.2 | 0 | 0 | 0 | 112.8 | S284 V372 K373 R374 V378 I379 K380 | S284-N376 WeakPolarHBondContact CB-ND2 3.29Å; V372-N376 PolarHBondContact O-N 2.88Å; V372-N376 VanDerWaalsContact O-N 3.11Å; V372-N376 PolarHBondContact O-ND2 3.37Å; K373-N376 PolarHBondContact O-N 3.2Å; R374-N376 VanDerWaalsContact C-N 3.27Å; R374-N376 PolarHBondContact O-N 2.84Å; N376-V378 VanDerWaalsContact C-N 3.35Å; N376-I379 PolarHBondContact O-N 2.74Å; N376-K380 WeakPolarHBondContact O-CB 3.44Å; N376-K380 VanDerWaalsContact O-CG 3.29Å; N376-K380 WeakPolarHBondContact O-CG 3.38Å; N376-K380 PolarHBondContact O-N 2.9Å |
| 377 | E | 77.8 | Confident | 82.9 | Confident | 93 Ų | 93 | 46.4 Ų | 46.4 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 171.7 | -71.1 | 172 | -177.4 | 0 | 0 | 111.3 | K373 R374 I379 K380 Q381 | K373-E377 PolarHBondContact O-N 3Å; R374-E377 WeakPolarHBondContact O-CB 3.34Å; R374-E377 PolarHBondContact O-N 2.84Å; E377-I379 PolarHBondContact O-N 3.34Å; E377-K380 WeakPolarHBondContact O-CB 3.3Å; E377-K380 PolarHBondContact O-N 3.24Å; E377-Q381 PolarHBondContact O-N 2.89Å |
| 378 | V | 84.4 | Confident | 83.1 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 173.7 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | R374 D375 N376 K380 Q381 I382 R401 P402 F540 | R374-V378 WeakPolarHBondContact O-CG2 3.47Å; R374-V378 PolarHBondContact O-N 3.46Å; D375-V378 PolarHBondContact O-N 2.87Å; N376-V378 VanDerWaalsContact C-N 3.35Å; V378-K380 VanDerWaalsContact C-N 3.32Å; V378-K380 PolarHBondContact O-N 2.86Å; V378-Q381 WeakPolarHBondContact O-CB 3.5Å; V378-Q381 PolarHBondContact O-N 3.39Å; V378-Q381 VanDerWaalsContact O-N 3.1Å; V378-I382 HydrophobicContact CG1-CD1 3.84Å; V378-I382 HydrophobicContact CG1-CG1 4.22Å; V378-I382 VanDerWaalsContact O-CG1 3.25Å; V378-I382 WeakPolarHBondContact O-CG1 3.2Å; V378-I382 PolarHBondContact O-N 3.41Å; V378-R401 HydrophobicContact CG1-CG 4.28Å; V378-P402 HydrophobicContact CG1-CG 4.37Å; V378-F540 HydrophobicContact CG1-CD1 4.33Å; V378-F540 HydrophobicContact CG1-CE1 4.36Å |
| 379 | I | 83.3 | Confident | 83.6 | Confident | 31 Ų | 31 | 42.6 Ų | 42.6 | 16% | 0.159 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 177.7 | -72.2 | 163.2 | 0 | 0 | 0 | 111.5 | D375 N376 E377 Q381 I382 T383 F540 V608 | D375-I379 WeakPolarHBondContact O-CB 3.42Å; D375-I379 WeakPolarHBondContact O-CD1 3.2Å; D375-I379 VanDerWaalsContact O-CG1 3.23Å; D375-I379 WeakPolarHBondContact O-CG1 3.37Å; D375-I379 PolarHBondContact O-N 3.35Å; N376-I379 PolarHBondContact O-N 2.74Å; E377-I379 PolarHBondContact O-N 3.34Å; I379-Q381 VanDerWaalsContact C-N 3.34Å; I379-I382 PolarHBondContact O-N 2.85Å; I379-T383 WeakPolarHBondContact O-CB 3.3Å; I379-T383 PolarHBondContact O-N 2.82Å; I379-T383 PolarHBondContact O-OG1 3.33Å; I379-F540 HydrophobicContact CD1-CB 4.21Å; I379-F540 HydrophobicContact CD1-CG 4.49Å; I379-F540 HydrophobicContact CG1-CG 4.37Å; I379-V608 HydrophobicContact CG2-CG1 4.16Å |
| 380 | K | 78.9 | Confident | 84.1 | Confident | 112 Ų | 112 | 46.3 Ų | 46.3 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 173.6 | -73.5 | 170.4 | -176.7 | 170.8 | 0 | 110.7 | E287 N376 E377 V378 T383 S384 | E287-K380 IonicContact OE2-NZ 2.76Å; N376-K380 WeakPolarHBondContact O-CB 3.44Å; N376-K380 VanDerWaalsContact O-CG 3.29Å; N376-K380 WeakPolarHBondContact O-CG 3.38Å; N376-K380 PolarHBondContact O-N 2.9Å; E377-K380 WeakPolarHBondContact O-CB 3.3Å; E377-K380 PolarHBondContact O-N 3.24Å; V378-K380 VanDerWaalsContact C-N 3.32Å; V378-K380 PolarHBondContact O-N 2.86Å; K380-T383 PolarHBondContact O-N 3.49Å; K380-S384 PolarHBondContact O-N 3.4Å |
| 381 | Q | 83.7 | Confident | 84.6 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 15% | 0.15 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.3 | -49.1 | 176.2 | -173.4 | -171.5 | 24.3 | 0 | 0 | 111.6 | L70 E377 V378 I379 T383 S384 F385 P402 | L70-Q381 HydrophobicContact CD1-CG 4.14Å; L70-Q381 VanDerWaalsContact CD1-NE2 3.3Å; L70-Q381 HydrophobicContact CD2-CG 4.46Å; L70-Q381 HydrophobicContact CG-CG 4.5Å; E377-Q381 PolarHBondContact O-N 2.89Å; V378-Q381 WeakPolarHBondContact O-CB 3.5Å; V378-Q381 PolarHBondContact O-N 3.39Å; V378-Q381 VanDerWaalsContact O-N 3.1Å; I379-Q381 VanDerWaalsContact C-N 3.34Å; Q381-T383 VanDerWaalsContact C-N 3.27Å; Q381-T383 PolarHBondContact O-N 3.34Å; Q381-S384 WeakPolarHBondContact O-CB 3.39Å; Q381-S384 PolarHBondContact O-N 3.49Å; Q381-S384 VanDerWaalsContact O-N 3.09Å; Q381-F385 HydrophobicContact CG-CD2 4.47Å; Q381-F385 HydrophobicContact CG-CE1 4.08Å; Q381-F385 HydrophobicContact CG-CE2 3.83Å; Q381-F385 HydrophobicContact CG-CZ 3.62Å; Q381-F385 WeakPolarHBondContact O-CG 3.33Å; Q381-F385 PolarHBondContact O-N 2.88Å; Q381-P402 VanDerWaalsContact OE1-CG 3.28Å |
| 382 | I | 88.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -40 | 178.1 | -58.8 | 171.9 | 0 | 0 | 0 | 110.3 | V378 I379 S384 F385 Q386 L396 P402 F426 F540 V608 | V378-I382 HydrophobicContact CG1-CD1 3.84Å; V378-I382 HydrophobicContact CG1-CG1 4.22Å; V378-I382 VanDerWaalsContact O-CG1 3.25Å; V378-I382 WeakPolarHBondContact O-CG1 3.2Å; V378-I382 PolarHBondContact O-N 3.41Å; I379-I382 PolarHBondContact O-N 2.85Å; I382-S384 VanDerWaalsContact C-N 3.34Å; I382-S384 PolarHBondContact O-N 3.38Å; I382-F385 PolarHBondContact O-N 3.26Å; I382-Q386 WeakPolarHBondContact O-CB 3.48Å; I382-Q386 PolarHBondContact O-N 2.9Å; I382-L396 HydrophobicContact CG2-CB 3.41Å; I382-L396 VanDerWaalsContact CG2-CB 3.41Å; I382-L396 HydrophobicContact CG2-CD1 4.42Å; I382-P402 HydrophobicContact CG1-CG 4.3Å; I382-F426 HydrophobicContact CD1-CE1 4.5Å; I382-F426 HydrophobicContact CG1-CE1 4.13Å; I382-F426 HydrophobicContact CG2-CE1 4.17Å; I382-F540 HydrophobicContact CD1-CE1 3.7Å; I382-F540 HydrophobicContact CD1-CZ 3.89Å; I382-V608 HydrophobicContact CB-CG1 4.15Å; I382-V608 HydrophobicContact CB-CG2 4.29Å; I382-V608 HydrophobicContact CD1-CG1 4.44Å; I382-V608 HydrophobicContact CG2-CB 4.28Å; I382-V608 HydrophobicContact CG2-CG1 3.97Å; I382-V608 HydrophobicContact CG2-CG2 3.53Å |
| 383 | T | 84.6 | Confident | 84.9 | Confident | 40 Ų | 40 | 50.1 Ų | 50.1 | 25% | 0.245 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 175.8 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | I379 K380 Q381 F385 Q386 M387 | I379-T383 WeakPolarHBondContact O-CB 3.3Å; I379-T383 PolarHBondContact O-N 2.82Å; I379-T383 PolarHBondContact O-OG1 3.33Å; K380-T383 PolarHBondContact O-N 3.49Å; Q381-T383 VanDerWaalsContact C-N 3.27Å; Q381-T383 PolarHBondContact O-N 3.34Å; T383-F385 PolarHBondContact O-N 3.03Å; T383-Q386 PolarHBondContact O-N 2.85Å; T383-M387 HydrophobicContact CG2-CG 4.48Å; T383-M387 WeakPolarHBondContact O-CG 3.18Å; T383-M387 PolarHBondContact O-N 3.1Å |
| 384 | S | 84.5 | Confident | 85.4 | Confident | 40 Ų | 40 | 51.1 Ų | 51.1 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 174.1 | -171 | 0 | 0 | 0 | 0 | 111.9 | F69 K380 Q381 I382 M387 S388 | F69-S384 WeakPolarHBondContact CE1-OG 3.31Å; K380-S384 PolarHBondContact O-N 3.4Å; Q381-S384 WeakPolarHBondContact O-CB 3.39Å; Q381-S384 PolarHBondContact O-N 3.49Å; Q381-S384 VanDerWaalsContact O-N 3.09Å; I382-S384 VanDerWaalsContact C-N 3.34Å; I382-S384 PolarHBondContact O-N 3.38Å; S384-M387 PolarHBondContact O-N 3.2Å; S384-S388 PolarHBondContact O-N 2.85Å |
| 385 | F | 91.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 174.9 | -63.2 | -20.9 | 0 | 0 | 0 | 111.3 | F69 Q381 I382 T383 M387 S388 I389 L396 P402 F424 F426 | F69-F385 HydrophobicContact CB-CE1 3.87Å; F69-F385 AromaticContact CD1-CD1 3.96Å; F69-F385 HydrophobicContact CD1-CD1 3.96Å; F69-F385 AromaticContact CD1-CE1 3.62Å; F69-F385 HydrophobicContact CD1-CE1 3.62Å; F69-F385 HydrophobicContact CE1-CD1 4.35Å; F69-F385 HydrophobicContact CE1-CE1 4.39Å; F69-F385 HydrophobicContact CG-CD1 4.16Å; F69-F385 AromaticContact CG-CE1 3.83Å; F69-F385 HydrophobicContact CG-CE1 3.83Å; Q381-F385 HydrophobicContact CG-CD2 4.47Å; Q381-F385 HydrophobicContact CG-CE1 4.08Å; Q381-F385 HydrophobicContact CG-CE2 3.83Å; Q381-F385 HydrophobicContact CG-CZ 3.62Å; Q381-F385 WeakPolarHBondContact O-CG 3.33Å; Q381-F385 PolarHBondContact O-N 2.88Å; I382-F385 PolarHBondContact O-N 3.26Å; T383-F385 PolarHBondContact O-N 3.03Å; F385-M387 VanDerWaalsContact C-N 3.32Å; F385-M387 PolarHBondContact O-N 3.18Å; F385-S388 PolarHBondContact O-N 2.89Å; F385-S388 PolarHBondContact O-OG 3.08Å; F385-I389 WeakPolarHBondContact O-CG1 3.14Å; F385-I389 PolarHBondContact O-N 3.39Å; F385-L396 HydrophobicContact CB-CD1 3.78Å; F385-P402 HydrophobicContact CE2-CB 3.86Å; F385-P402 HydrophobicContact CE2-CG 4.3Å; F385-F424 HydrophobicContact CD1-CD1 4.26Å; F385-F424 AromaticContact CD1-CE1 3.87Å; F385-F424 HydrophobicContact CD1-CE1 3.87Å; F385-F424 HydrophobicContact CD2-CD1 4.13Å; F385-F424 HydrophobicContact CE1-CD1 4.42Å; F385-F424 HydrophobicContact CE1-CE1 4.14Å; F385-F424 HydrophobicContact CE2-CD1 4.28Å; F385-F424 HydrophobicContact CG-CD1 4.1Å; F385-F424 HydrophobicContact CG-CE1 4.08Å; F385-F424 HydrophobicContact CZ-CD1 4.42Å; F385-F426 HydrophobicContact CD2-CZ 4.08Å |
| 386 | Q | 91.1 | Very high | 86.1 | Confident | 21 Ų | 21 | 46.3 Ų | 46.3 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.8 | -40.8 | -179.5 | 176.7 | 161.4 | -47 | 0 | 0 | 112.2 | I382 T383 S388 I389 L392 S395 L396 P606 V608 | I382-Q386 WeakPolarHBondContact O-CB 3.48Å; I382-Q386 PolarHBondContact O-N 2.9Å; T383-Q386 PolarHBondContact O-N 2.85Å; Q386-S388 VanDerWaalsContact C-N 3.26Å; Q386-S388 PolarHBondContact O-N 3.43Å; Q386-I389 PolarHBondContact O-N 3.12Å; Q386-L392 HydrophobicContact CB-CD2 4.34Å; Q386-L392 HydrophobicContact CG-CD2 3.66Å; Q386-S395 PolarHBondContact OE1-OG 3.41Å; Q386-L396 HydrophobicContact CB-CD1 3.95Å; Q386-L396 HydrophobicContact CB-CG 4.24Å; Q386-L396 VanDerWaalsContact OE1-N 3.09Å; Q386-P606 PolarHBondContact NE2-O 3.43Å; Q386-P606 VanDerWaalsContact NE2-O 3.09Å; Q386-V608 VanDerWaalsContact OE1-CG2 3.3Å |
| 387 | M | 87.4 | Confident | 86.6 | Confident | 154 Ų | 154 | 45.1 Ų | 45.1 | 76% | 0.759 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -69.4 | -24.1 | 176.9 | -68.8 | -59 | -62.6 | 0 | 0 | 113.3 | T383 S384 F385 | T383-M387 HydrophobicContact CG2-CG 4.48Å; T383-M387 WeakPolarHBondContact O-CG 3.18Å; T383-M387 PolarHBondContact O-N 3.1Å; S384-M387 PolarHBondContact O-N 3.2Å; F385-M387 VanDerWaalsContact C-N 3.32Å; F385-M387 PolarHBondContact O-N 3.18Å |
| 388 | S | 89.4 | Confident | 87.1 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -85.7 | -16.3 | 179 | 76.5 | 0 | 0 | 0 | 0 | 114.1 | S384 F385 Q386 E439 F441 | S384-S388 PolarHBondContact O-N 2.85Å; F385-S388 PolarHBondContact O-N 2.89Å; F385-S388 PolarHBondContact O-OG 3.08Å; Q386-S388 VanDerWaalsContact C-N 3.26Å; Q386-S388 PolarHBondContact O-N 3.43Å; S388-E439 WeakPolarHBondContact CB-O 3.31Å; S388-F441 PolarHBondContact O-N 2.86Å |
| 389 | I | 92 | Very high | 87.5 | Confident | 9 Ų | 9 | 45 Ų | 45 | 5% | 0.046 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 112.7 | -174.7 | -60.8 | 163.3 | 0 | 0 | 0 | 110.7 | F385 Q386 L392 L396 F424 V431 F441 L443 | F385-I389 WeakPolarHBondContact O-CG1 3.14Å; F385-I389 PolarHBondContact O-N 3.39Å; Q386-I389 PolarHBondContact O-N 3.12Å; I389-L392 HydrophobicContact CG2-CB 4.49Å; I389-L392 HydrophobicContact CG2-CD1 4.48Å; I389-L396 HydrophobicContact CD1-CD1 4.08Å; I389-F424 HydrophobicContact CD1-CD2 3.89Å; I389-F424 HydrophobicContact CD1-CE2 3.75Å; I389-F424 HydrophobicContact CD1-CG 4.5Å; I389-F424 HydrophobicContact CD1-CZ 4.25Å; I389-F424 HydrophobicContact CG1-CE2 4.1Å; I389-F424 HydrophobicContact CG1-CZ 4.49Å; I389-V431 HydrophobicContact CD1-CG1 4.41Å; I389-F441 CarbonylContact C-O 3.34Å; I389-F441 WeakPolarHBondContact CA-O 3.21Å; I389-F441 HydrophobicContact CG1-CB 3.95Å; I389-F441 HydrophobicContact CG1-CD2 4.48Å; I389-L443 HydrophobicContact CG2-CB 4.08Å |
| 390 | E | 90.9 | Very high | 87.9 | Confident | 81 Ų | 81 | 43.5 Ų | 43.5 | 38% | 0.379 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 155.1 | 172.8 | -62.9 | 179.8 | 178.1 | 0 | 0 | 112.1 | L392 K436 F441 L443 | E390-L392 PolarHBondContact O-N 3.38Å; E390-K436 IonicContact OE2-NZ 3.96Å; E390-K436 PolarHBondContact OE2-NZ 2.63Å; E390-F441 PolarHBondContact N-O 2.99Å; E390-L443 VanDerWaalsContact O-CB 3.31Å; E390-L443 WeakPolarHBondContact O-CB 3.38Å; E390-L443 PolarHBondContact O-N 3.22Å; E390-L443 VanDerWaalsContact O-N 3.07Å |
| 391 | N | 89.8 | Confident | 88.5 | Confident | 105 Ų | 105 | 40.9 Ų | 40.9 | 56% | 0.561 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 20.2 | 179.5 | -54.6 | -35.9 | 0 | 0 | 0 | 115 | T393 L443 | N391-T393 PolarHBondContact O-N 3.34Å; N391-L443 HydrophobicContact CB-CB 4.38Å; N391-L443 WeakPolarHBondContact O-CD2 3.44Å |
| 392 | L | 87.8 | Confident | 89 | Confident | 17 Ų | 17 | 40.5 Ų | 40.5 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | trans | -71.8 | 125.9 | 173.5 | -166 | 76.5 | 0 | 0 | 0 | 110.9 | Q386 I389 E390 Q394 L396 L443 | Q386-L392 HydrophobicContact CB-CD2 4.34Å; Q386-L392 HydrophobicContact CG-CD2 3.66Å; I389-L392 HydrophobicContact CG2-CB 4.49Å; I389-L392 HydrophobicContact CG2-CD1 4.48Å; E390-L392 PolarHBondContact O-N 3.38Å; L392-Q394 WeakPolarHBondContact CD2-O 3.44Å; L392-Q394 WeakPolarHBondContact CG-O 3.34Å; L392-L396 HydrophobicContact CD1-CD2 3.75Å; L392-L396 HydrophobicContact CD1-CG 4.48Å; L392-L396 HydrophobicContact CD2-CD2 4.02Å; L392-L396 HydrophobicContact CD2-CG 3.84Å; L392-L443 HydrophobicContact CD1-CD2 4.31Å | ||
| 393 | T | 82.5 | Confident | 89.3 | Confident | 87 Ų | 87 | 42 Ų | 42 | 53% | 0.534 | 22% | 0.223 | S | C | . | . | trans | -96.1 | -19 | -177.3 | 52.4 | 0 | 0 | 0 | 0 | 114 | N391 | N391-T393 PolarHBondContact O-N 3.34Š| ||
| 394 | Q | 83.1 | Confident | 89.7 | Confident | 63 Ų | 63 | 40.7 Ų | 40.7 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -140.9 | 156 | -176.6 | 67 | -168.7 | 26.7 | 0 | 0 | 111.8 | L392 L396 L398 F399 | L392-Q394 WeakPolarHBondContact CD2-O 3.44Å; L392-Q394 WeakPolarHBondContact CG-O 3.34Å; Q394-L396 PolarHBondContact O-N 2.95Å; Q394-L398 HydrophobicContact CB-CD1 4.32Å; Q394-F399 HydrophobicContact CG-CE2 4.47Å; Q394-F399 HydrophobicContact CG-CZ 4.09Å |
| 395 | S | 88.3 | Confident | 90.2 | Very high | 17 Ų | 17 | 39.1 Ų | 39.1 | 12% | 0.119 | 20% | 0.203 | C | C | . | . | trans | -65.5 | 134.2 | -179.7 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | Q386 A397 L398 V608 | Q386-S395 PolarHBondContact OE1-OG 3.41Å; S395-A397 PolarHBondContact O-N 3.43Å; S395-A397 WeakPolarHBondContact OG-CB 3.24Å; S395-A397 PolarHBondContact OG-N 3.28Å; S395-L398 WeakPolarHBondContact O-CB 3.43Å; S395-L398 WeakPolarHBondContact O-CG 3.41Å; S395-L398 PolarHBondContact O-N 3.18Å; S395-V608 VanDerWaalsContact OG-CG2 3.29Å; S395-V608 WeakPolarHBondContact OG-CG2 3.28Å | ||
| 396 | L | 91.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -63.6 | -21.5 | 175.9 | -65.5 | -177.8 | 0 | 0 | 0 | 112.6 | I382 F385 Q386 I389 L392 Q394 L398 F399 F426 V431 | I382-L396 HydrophobicContact CG2-CB 3.41Å; I382-L396 VanDerWaalsContact CG2-CB 3.41Å; I382-L396 HydrophobicContact CG2-CD1 4.42Å; F385-L396 HydrophobicContact CB-CD1 3.78Å; Q386-L396 HydrophobicContact CB-CD1 3.95Å; Q386-L396 HydrophobicContact CB-CG 4.24Å; Q386-L396 VanDerWaalsContact OE1-N 3.09Å; I389-L396 HydrophobicContact CD1-CD1 4.08Å; L392-L396 HydrophobicContact CD1-CD2 3.75Å; L392-L396 HydrophobicContact CD1-CG 4.48Å; L392-L396 HydrophobicContact CD2-CD2 4.02Å; L392-L396 HydrophobicContact CD2-CG 3.84Å; Q394-L396 PolarHBondContact O-N 2.95Å; L396-L398 PolarHBondContact O-N 3.46Å; L396-L398 VanDerWaalsContact O-N 3.13Å; L396-F399 HydrophobicContact CD2-CD2 3.97Å; L396-F399 HydrophobicContact CD2-CE2 3.89Å; L396-F399 PolarHBondContact O-N 3.12Å; L396-F426 HydrophobicContact CB-CE1 4.31Å; L396-F426 HydrophobicContact CB-CZ 4.07Å; L396-F426 HydrophobicContact CD1-CZ 3.98Å; L396-F426 HydrophobicContact CD2-CE2 4.42Å; L396-F426 HydrophobicContact CD2-CZ 4.46Å; L396-F426 HydrophobicContact CG-CZ 4.39Å; L396-V431 HydrophobicContact CD2-CG2 3.91Å |
| 397 | A | 87.9 | Confident | 90.3 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 10% | 0.099 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -53.5 | -34.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | S395 F399 G400 F540 F541 V608 | S395-A397 PolarHBondContact O-N 3.43Å; S395-A397 WeakPolarHBondContact OG-CB 3.24Å; S395-A397 PolarHBondContact OG-N 3.28Å; A397-F399 PolarHBondContact O-N 3.46Å; A397-G400 PolarHBondContact O-N 3.01Å; A397-F540 HydrophobicContact CB-CE2 4.25Å; A397-F540 HydrophobicContact CB-CZ 4.47Å; A397-F540 VanDerWaalsContact O-CZ 3.32Å; A397-F540 WeakPolarHBondContact O-CZ 3.4Å; A397-F541 WeakPolarHBondContact O-CE2 3.32Å; A397-V608 HydrophobicContact CB-CB 3.9Å; A397-V608 HydrophobicContact CB-CG1 3.2Å; A397-V608 HydrophobicContact CB-CG2 4Å |
| 398 | L | 88.5 | Confident | 90.7 | Very high | 101 Ų | 101 | 34 Ų | 34 | 53% | 0.529 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -64.7 | -22.1 | -176.2 | -62.5 | 174 | 0 | 0 | 0 | 112.1 | Q394 S395 L396 | Q394-L398 HydrophobicContact CB-CD1 4.32Å; S395-L398 WeakPolarHBondContact O-CB 3.43Å; S395-L398 WeakPolarHBondContact O-CG 3.41Å; S395-L398 PolarHBondContact O-N 3.18Å; L396-L398 PolarHBondContact O-N 3.46Å; L396-L398 VanDerWaalsContact O-N 3.13Å |
| 399 | F | 93.5 | Very high | 91 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -87.5 | -2.3 | -177.7 | -54.7 | -53.4 | 0 | 0 | 0 | 114.3 | Q394 L396 A397 F426 D427 K428 A429 V431 I446 | Q394-F399 HydrophobicContact CG-CE2 4.47Å; Q394-F399 HydrophobicContact CG-CZ 4.09Å; L396-F399 HydrophobicContact CD2-CD2 3.97Å; L396-F399 HydrophobicContact CD2-CE2 3.89Å; L396-F399 PolarHBondContact O-N 3.12Å; A397-F399 PolarHBondContact O-N 3.46Å; F399-F426 HydrophobicContact CB-CB 3.61Å; F399-F426 HydrophobicContact CB-CD1 4.22Å; F399-F426 HydrophobicContact CB-CD2 4.49Å; F399-F426 HydrophobicContact CB-CG 3.88Å; F399-F426 WeakPolarHBondContact O-CB 3.04Å; F399-D427 PolarHBondContact O-N 3.34Å; F399-K428 WeakPolarHBondContact O-CB 3.23Å; F399-K428 PolarHBondContact O-N 3.17Å; F399-A429 HydrophobicContact CB-CB 4.17Å; F399-A429 HydrophobicContact CD1-CB 3.39Å; F399-A429 HydrophobicContact CD2-CB 4.37Å; F399-A429 HydrophobicContact CE1-CB 3.67Å; F399-A429 HydrophobicContact CG-CB 3.75Å; F399-A429 HydrophobicContact CZ-CB 4.25Å; F399-V431 HydrophobicContact CD2-CG2 4.35Å; F399-V431 HydrophobicContact CE2-CG2 4.15Å; F399-I446 HydrophobicContact CE1-CG2 3.98Å; F399-I446 HydrophobicContact CE2-CD1 4.49Å; F399-I446 HydrophobicContact CE2-CG2 4.34Å; F399-I446 HydrophobicContact CZ-CD1 4.1Å; F399-I446 HydrophobicContact CZ-CG2 3.53Å |
| 400 | G | 91.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | 91.3 | -154.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A397 F426 | A397-G400 PolarHBondContact O-N 3.01Å; G400-F426 WeakPolarHBondContact O-CD1 3.12Å | ||
| 401 | R | 92.9 | Very high | 91.2 | Very high | 56 Ų | 56 | 31.7 Ų | 31.7 | 21% | 0.211 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -79.9 | 142 | -179.4 | -63 | -175.4 | 172.4 | 86.3 | -5.7 | 110.5 | D375 V378 F426 D427 F540 F541 | D375-R401 IonicContact OD1-CZ 3.91Å; D375-R401 IonicContact OD1-NE 3.86Å; D375-R401 PolarHBondContact OD1-NE 3.26Å; D375-R401 IonicContact OD1-NH2 3.2Å; D375-R401 PolarHBondContact OD1-NH2 2.95Å; D375-R401 IonicContact OD2-NH2 3.05Å; V378-R401 HydrophobicContact CG1-CG 4.28Å; R401-F426 WeakPolarHBondContact O-CA 3.29Å; R401-D427 WeakPolarHBondContact CB-OD2 3.39Å; R401-D427 PolarHBondContact N-OD2 3.17Å; R401-D427 PolarHBondContact O-N 3.46Å; R401-F540 HydrophobicContact CG-CD1 4.07Å; R401-F540 HydrophobicContact CG-CE1 4.04Å; R401-F540 PolarHBondContact NH1-O 2.86Å; R401-F540 PolarHBondContact NH2-O 2.9Å; R401-F541 PolarHBondContact NH1-O 2.94Å |
| 402 | P | 94.3 | Very high | 91.2 | Very high | 25 Ų | 25 | 28 Ų | 28 | 16% | 0.162 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 149.1 | 170.8 | 29.2 | -32.7 | 0 | 0 | 0 | 110.3 | V378 Q381 I382 F385 L425 F426 | V378-P402 HydrophobicContact CG1-CG 4.37Å; Q381-P402 VanDerWaalsContact OE1-CG 3.28Å; I382-P402 HydrophobicContact CG1-CG 4.3Å; F385-P402 HydrophobicContact CE2-CB 3.86Å; F385-P402 HydrophobicContact CE2-CG 4.3Å; P402-L425 CarbonylContact C-O 3.38Å; P402-L425 WeakPolarHBondContact CA-O 3.22Å; P402-F426 HydrophobicContact CB-CD1 4.25Å; P402-F426 HydrophobicContact CB-CE1 4.05Å |
| 403 | K | 93.1 | Very high | 90.7 | Very high | 31 Ų | 31 | 30.7 Ų | 30.7 | 14% | 0.135 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -50.3 | -178.6 | -62.2 | -60.5 | 178 | -161.8 | 0 | 112.6 | L425 D427 Q498 A502 N505 | K403-L425 HydrophobicContact CB-CB 4.26Å; K403-L425 HydrophobicContact CB-CD2 3.86Å; K403-L425 HydrophobicContact CB-CG 3.88Å; K403-L425 HydrophobicContact CG-CD2 4.34Å; K403-L425 HydrophobicContact CG-CG 4.18Å; K403-L425 PolarHBondContact N-O 3.24Å; K403-D427 WeakPolarHBondContact CE-OD1 3.49Å; K403-D427 IonicContact NZ-OD1 2.74Å; K403-D427 PolarHBondContact NZ-OD1 3.43Å; K403-D427 IonicContact NZ-OD2 3.73Å; K403-Q498 HydrophobicContact CB-CB 4.13Å; K403-A502 HydrophobicContact CG-CB 4.3Å; K403-N505 PolarHBondContact NZ-ND2 3.21Å; K403-N505 VanDerWaalsContact NZ-ND2 3.14Å |
| 404 | I | 93.9 | Very high | 90.5 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 149.4 | 180 | -171.8 | 165.7 | 0 | 0 | 0 | 108.4 | L425 K494 W495 Q498 | I404-L425 HydrophobicContact CG2-CB 3.86Å; I404-L425 HydrophobicContact CG2-CD2 3.82Å; I404-L425 HydrophobicContact CG2-CG 4.45Å; I404-L425 WeakPolarHBondContact O-CB 3.15Å; I404-L425 PolarHBondContact O-N 2.99Å; I404-K494 HydrophobicContact CD1-CB 4.38Å; I404-W495 HydrophobicContact CD1-CD2 4.27Å; I404-W495 HydrophobicContact CD1-CG 4.17Å; I404-W495 HydrophobicContact CG1-CZ2 4.3Å; I404-W495 HydrophobicContact CG2-CD2 3.8Å; I404-W495 HydrophobicContact CG2-CE3 3.61Å; I404-W495 HydrophobicContact CG2-CG 4.47Å; I404-W495 HydrophobicContact CG2-CH2 4.09Å; I404-W495 HydrophobicContact CG2-CZ2 4.25Å; I404-W495 HydrophobicContact CG2-CZ3 3.79Å; I404-Q498 HydrophobicContact CB-CB 4.4Å; I404-Q498 HydrophobicContact CB-CG 4.12Å; I404-Q498 HydrophobicContact CG2-CB 3.83Å; I404-Q498 HydrophobicContact CG2-CG 4.09Å |
| 405 | D | 94.8 | Very high | 90.5 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 150.5 | 171.3 | 71.1 | -83.5 | 0 | 0 | 0 | 110.7 | S67 F69 Y422 A423 F424 | S67-D405 WeakPolarHBondContact CA-OD1 3.5Å; S67-D405 WeakPolarHBondContact CB-OD1 3.19Å; S67-D405 PolarHBondContact OG-OD1 2.85Å; F69-D405 WeakPolarHBondContact CB-OD2 3.4Å; F69-D405 PolarHBondContact N-OD2 3.05Å; D405-Y422 HydrophobicContact CB-CE1 3.97Å; D405-Y422 WeakPolarHBondContact OD2-CE1 3.5Å; D405-Y422 PolarHBondContact OD2-OH 3.45Å; D405-A423 CarbonylContact C-O 3.54Å; D405-A423 WeakPolarHBondContact CA-O 3.27Å; D405-A423 WeakPolarHBondContact CB-O 3.34Å; D405-F424 HydrophobicContact CB-CB 4.41Å; D405-F424 HydrophobicContact CB-CD1 3.45Å; D405-F424 VanDerWaalsContact CB-CD1 3.45Å; D405-F424 HydrophobicContact CB-CE1 3.94Å; D405-F424 HydrophobicContact CB-CG 4.1Å |
| 406 | G | 92.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.3 | 179.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y422 A423 | G406-Y422 WeakPolarHBondContact O-CA 3.32Å; G406-A423 PolarHBondContact N-O 3.07Å; G406-A423 PolarHBondContact O-N 3.12Å |
| 407 | E | 92.6 | Very high | 90.1 | Very high | 65 Ų | 65 | 48.8 Ų | 48.8 | 30% | 0.304 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.8 | 179.2 | -65.9 | -175.7 | 179.7 | 0 | 0 | 112 | Y422 K435 | E407-Y422 HydrophobicContact CG-CD2 3.65Å; E407-Y422 HydrophobicContact CG-CE2 4.01Å; E407-K435 IonicContact OE1-NZ 3.86Å; E407-K435 PolarHBondContact OE1-NZ 3.32Å |
| 408 | L | 95.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 166 | 175.6 | 61.9 | 79 | 0 | 0 | 0 | 111.8 | I410 R421 A423 F484 F486 W495 | L408-I410 HydrophobicContact CD1-CB 3.96Å; L408-R421 HydrophobicContact CD1-CB 4.32Å; L408-R421 PolarHBondContact N-O 3.48Å; L408-R421 PolarHBondContact O-N 3.04Å; L408-A423 HydrophobicContact CD2-CB 3.47Å; L408-A423 VanDerWaalsContact CD2-CB 3.47Å; L408-A423 HydrophobicContact CG-CB 4.03Å; L408-F484 HydrophobicContact CD1-CD1 3.96Å; L408-F484 HydrophobicContact CD1-CE1 4.28Å; L408-F484 HydrophobicContact CD2-CD1 3.74Å; L408-F484 HydrophobicContact CD2-CE1 4.06Å; L408-F484 HydrophobicContact CG-CD1 4.49Å; L408-F486 HydrophobicContact CB-CD1 4.38Å; L408-F486 HydrophobicContact CB-CE1 4.16Å; L408-F486 HydrophobicContact CD2-CE1 4.2Å; L408-W495 HydrophobicContact CD2-CE3 4.35Å; L408-W495 HydrophobicContact CD2-CH2 3.86Å; L408-W495 HydrophobicContact CD2-CZ2 4.06Å; L408-W495 HydrophobicContact CD2-CZ3 3.99Å |
| 409 | K | 95.6 | Very high | 90.5 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.2 | 168.8 | -78.6 | 175.2 | -161.3 | -81.3 | 0 | 109.2 | K418 Q419 D420 W467 F485 | K409-K418 HydrophobicContact CB-CB 4.48Å; K409-K418 HydrophobicContact CD-CB 4.33Å; K409-K418 HydrophobicContact CD-CD 4.4Å; K409-Q419 CarbonylContact C-O 3.45Å; K409-Q419 VanDerWaalsContact CA-O 3.29Å; K409-Q419 WeakPolarHBondContact CA-O 3.49Å; K409-D420 VanDerWaalsContact CE-OD1 3.29Å; K409-D420 WeakPolarHBondContact CE-OD1 3.44Å; K409-D420 WeakPolarHBondContact CG-OD1 3.42Å; K409-D420 IonicContact NZ-OD1 2.72Å; K409-D420 PolarHBondContact NZ-OD1 3.3Å; K409-D420 IonicContact NZ-OD2 3.19Å; K409-W467 HydrophobicContact CB-CE3 4.02Å; K409-W467 HydrophobicContact CB-CZ3 4.2Å; K409-W467 HydrophobicContact CD-CB 4.03Å; K409-W467 HydrophobicContact CD-CD2 3.68Å; K409-W467 HydrophobicContact CD-CE3 3.57Å; K409-W467 HydrophobicContact CD-CG 3.9Å; K409-W467 HydrophobicContact CD-CZ3 4.22Å; K409-W467 HydrophobicContact CG-CD2 4.25Å; K409-W467 HydrophobicContact CG-CE3 3.71Å; K409-W467 HydrophobicContact CG-CZ3 3.87Å; K409-F485 HydrophobicContact CB-CB 3.91Å; K409-F485 PolarHBondContact N-O 3.4Å; K409-F485 PolarHBondContact O-N 3.04Å |
| 410 | I | 94.9 | Very high | 90.5 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.2 | 179.9 | -164.7 | 171.7 | 0 | 0 | 0 | 111.6 | L408 Q419 R421 I432 I447 Y482 D483 F484 | L408-I410 HydrophobicContact CD1-CB 3.96Å; I410-Q419 HydrophobicContact CG2-CB 4.43Å; I410-Q419 PolarHBondContact N-O 3.17Å; I410-Q419 PolarHBondContact O-N 3.43Å; I410-R421 HydrophobicContact CG2-CB 4.3Å; I410-R421 HydrophobicContact CG2-CG 3.63Å; I410-I432 HydrophobicContact CD1-CD1 4.08Å; I410-I432 HydrophobicContact CD1-CG1 4.36Å; I410-I447 HydrophobicContact CD1-CD1 4.17Å; I410-Y482 HydrophobicContact CD1-CD1 3.72Å; I410-Y482 HydrophobicContact CD1-CG 4.31Å; I410-Y482 HydrophobicContact CG1-CD1 4.24Å; I410-D483 VanDerWaalsContact CA-O 3.3Å; I410-D483 WeakPolarHBondContact CA-O 3.38Å; I410-F484 HydrophobicContact CD1-CD1 4.34Å; I410-F484 HydrophobicContact CD1-CE1 3.77Å; I410-F484 HydrophobicContact CD1-CE2 4.18Å; I410-F484 HydrophobicContact CD1-CZ 3.68Å; I410-F484 HydrophobicContact CG1-CE1 4.45Å |
| 411 | C | 92.8 | Very high | 90.7 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 149.6 | 162.9 | -62.2 | 0 | 0 | 0 | 0 | 109.5 | S417 K418 Y482 D483 F485 | C411-S417 VanDerWaalsContact SG-C 3.52Å; C411-K418 WeakPolarHBondContact SG-CA 3.41Å; C411-K418 PolarHBondContact SG-N 3.46Å; C411-K418 VanDerWaalsContact SG-N 3.39Å; C411-Y482 VanDerWaalsContact O-CA 3.32Å; C411-Y482 WeakPolarHBondContact O-CA 3.47Å; C411-D483 HydrophobicContact CB-CB 4.08Å; C411-D483 PolarHBondContact N-O 3.47Å; C411-D483 PolarHBondContact O-N 3.37Å; C411-F485 HydrophobicContact CB-CE2 4.24Å |
| 412 | S | 88.4 | Confident | 90.9 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 165.7 | 169.9 | 73.1 | 0 | 0 | 0 | 0 | 110.5 | E414 K415 | S412-E414 PolarHBondContact O-N 2.88Å; S412-E414 VanDerWaalsContact O-N 3.14Å; S412-E414 PolarHBondContact OG-N 3.43Å; S412-K415 PolarHBondContact N-O 3.38Å; S412-K415 VanDerWaalsContact N-O 3.12Å; S412-K415 CarbonylContact O-C 3.51Å; S412-K415 PolarHBondContact O-N 3.36Å; S412-K415 VanDerWaalsContact O-N 3.07Å; S412-K415 VanDerWaalsContact O-O 3.11Å; S412-K415 PolarHBondContact OG-N 2.9Å; S412-K415 VanDerWaalsContact OG-N 3.13Å |
| 413 | S | 78.6 | Confident | 91 | Very high | 74 Ų | 74 | 52.9 Ų | 52.9 | 52% | 0.517 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -55 | -31.1 | 174.6 | -49 | 0 | 0 | 0 | 0 | 113 | G481 | S413-G481 PolarHBondContact N-O 3.38Å; S413-G481 PolarHBondContact OG-N 3.06Å; S413-G481 VanDerWaalsContact OG-N 3.09Å; S413-G481 PolarHBondContact OG-O 3.29Å |
| 414 | E | 78.1 | Confident | 91.2 | Very high | 175 Ų | 175 | 51.5 Ų | 51.5 | 82% | 0.818 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -81 | -36.4 | 176.8 | -59.2 | -176.5 | 168.9 | 0 | 0 | 112.8 | S412 | S412-E414 PolarHBondContact O-N 2.88Å; S412-E414 VanDerWaalsContact O-N 3.14Å; S412-E414 PolarHBondContact OG-N 3.43Å |
| 415 | K | 81.9 | Confident | 91.3 | Very high | 106 Ų | 106 | 51 Ų | 51 | 46% | 0.461 | 25% | 0.254 | S | S | . | . | trans | -121.2 | 90.7 | -176.2 | -65.8 | -179.1 | -170.9 | 162.3 | 0 | 110 | S412 S417 | S412-K415 PolarHBondContact N-O 3.38Å; S412-K415 VanDerWaalsContact N-O 3.12Å; S412-K415 CarbonylContact O-C 3.51Å; S412-K415 PolarHBondContact O-N 3.36Å; S412-K415 VanDerWaalsContact O-N 3.07Å; S412-K415 VanDerWaalsContact O-O 3.11Å; S412-K415 PolarHBondContact OG-N 2.9Å; S412-K415 VanDerWaalsContact OG-N 3.13Å; K415-S417 PolarHBondContact O-N 3.31Å | ||
| 416 | K | 81.4 | Confident | 91.4 | Very high | 189 Ų | 189 | 50.6 Ų | 50.6 | 82% | 0.822 | 25% | 0.252 | S | S | * | . | trans | -68.4 | -11.5 | -178.7 | -62.7 | -170.4 | 176.9 | -174.6 | 0 | 114.9 | ||||
| 417 | S | 89.4 | Confident | 91.5 | Very high | 76 Ų | 76 | 50.6 Ų | 50.6 | 53% | 0.531 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -85.2 | 136.6 | 177.7 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | C411 K415 Q419 | C411-S417 VanDerWaalsContact SG-C 3.52Å; K415-S417 PolarHBondContact O-N 3.31Å; S417-Q419 WeakPolarHBondContact O-CG 3.38Å; S417-Q419 PolarHBondContact O-N 3.46Å |
| 418 | K | 92.1 | Very high | 91.6 | Very high | 101 Ų | 101 | 49.4 Ų | 49.4 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | trans | -58.4 | 121.9 | 174.5 | -65.4 | -176.1 | 178 | -172.4 | 0 | 111.1 | K409 C411 W467 F485 | K409-K418 HydrophobicContact CB-CB 4.48Å; K409-K418 HydrophobicContact CD-CB 4.33Å; K409-K418 HydrophobicContact CD-CD 4.4Å; C411-K418 WeakPolarHBondContact SG-CA 3.41Å; C411-K418 PolarHBondContact SG-N 3.46Å; C411-K418 VanDerWaalsContact SG-N 3.39Å; K418-W467 PolarHBondContact NZ-O 2.91Å; K418-F485 HydrophobicContact CD-CD1 4.44Å; K418-F485 HydrophobicContact CD-CD2 4.4Å; K418-F485 HydrophobicContact CD-CG 4.38Å; K418-F485 VanDerWaalsContact CE-CE1 3.41Å; K418-F485 HydrophobicContact CG-CD2 4.25Å; K418-F485 HydrophobicContact CG-CE2 4.13Å; K418-F485 HydrophobicContact CG-CZ 4.5Å | ||
| 419 | Q | 93.9 | Very high | 91.6 | Very high | 45 Ų | 45 | 49.3 Ų | 49.3 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 126.6 | -179.8 | -46.6 | -159.9 | -57.4 | 0 | 0 | 111 | K409 I410 S417 R421 | K409-Q419 CarbonylContact C-O 3.45Å; K409-Q419 VanDerWaalsContact CA-O 3.29Å; K409-Q419 WeakPolarHBondContact CA-O 3.49Å; I410-Q419 HydrophobicContact CG2-CB 4.43Å; I410-Q419 PolarHBondContact N-O 3.17Å; I410-Q419 PolarHBondContact O-N 3.43Å; S417-Q419 WeakPolarHBondContact O-CG 3.38Å; S417-Q419 PolarHBondContact O-N 3.46Å; Q419-R421 PolarHBondContact O-N 2.77Å |
| 420 | D | 93.8 | Very high | 91.6 | Very high | 99 Ų | 99 | 47.4 Ų | 47.4 | 53% | 0.529 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 122.6 | 173.1 | -60.8 | -51.2 | 0 | 0 | 0 | 110.5 | K409 | K409-D420 VanDerWaalsContact CE-OD1 3.29Å; K409-D420 WeakPolarHBondContact CE-OD1 3.44Å; K409-D420 WeakPolarHBondContact CG-OD1 3.42Å; K409-D420 IonicContact NZ-OD1 2.72Å; K409-D420 PolarHBondContact NZ-OD1 3.3Å; K409-D420 IonicContact NZ-OD2 3.19Å |
| 421 | R | 95.8 | Very high | 91.7 | Very high | 42 Ų | 42 | 47 Ų | 47 | 16% | 0.158 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 162.6 | -176.7 | -68.2 | -64.5 | 179.6 | -89.6 | -4.5 | 110.8 | L408 I410 Q419 I432 C433 | L408-R421 HydrophobicContact CD1-CB 4.32Å; L408-R421 PolarHBondContact N-O 3.48Å; L408-R421 PolarHBondContact O-N 3.04Å; I410-R421 HydrophobicContact CG2-CB 4.3Å; I410-R421 HydrophobicContact CG2-CG 3.63Å; Q419-R421 PolarHBondContact O-N 2.77Å; R421-I432 HydrophobicContact CB-CG2 3.99Å; R421-I432 HydrophobicContact CG-CG2 3.74Å; R421-C433 WeakPolarHBondContact CA-O 3.37Å; R421-C433 WeakPolarHBondContact CD-O 3.49Å |
| 422 | Y | 95.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.8 | 165.2 | -159.7 | -82.5 | 0 | 0 | 0 | 107.2 | Q68 F69 D405 G406 E407 F424 C433 F441 | Q68-Y422 WeakPolarHBondContact CB-OH 3.29Å; Q68-Y422 HydrophobicContact CG-CE2 4.38Å; Q68-Y422 WeakPolarHBondContact CG-OH 3.29Å; F69-Y422 PolarHBondContact N-OH 3.22Å; D405-Y422 HydrophobicContact CB-CE1 3.97Å; D405-Y422 WeakPolarHBondContact OD2-CE1 3.5Å; D405-Y422 PolarHBondContact OD2-OH 3.45Å; G406-Y422 WeakPolarHBondContact O-CA 3.32Å; E407-Y422 HydrophobicContact CG-CD2 3.65Å; E407-Y422 HydrophobicContact CG-CE2 4.01Å; Y422-F424 HydrophobicContact CD1-CD2 4.15Å; Y422-F424 HydrophobicContact CD1-CE1 4.33Å; Y422-F424 AromaticContact CD1-CE2 3.59Å; Y422-F424 HydrophobicContact CD1-CE2 3.59Å; Y422-F424 AromaticContact CD1-CZ 3.7Å; Y422-F424 HydrophobicContact CD1-CZ 3.7Å; Y422-F424 HydrophobicContact CE1-CD1 4.38Å; Y422-F424 HydrophobicContact CE1-CD2 4.49Å; Y422-F424 AromaticContact CE1-CE1 3.8Å; Y422-F424 HydrophobicContact CE1-CE1 3.8Å; Y422-F424 AromaticContact CE1-CE2 3.92Å; Y422-F424 HydrophobicContact CE1-CE2 3.92Å; Y422-F424 AromaticContact CE1-CZ 3.54Å; Y422-F424 HydrophobicContact CE1-CZ 3.54Å; Y422-C433 PolarHBondContact N-O 3.33Å; Y422-C433 WeakPolarHBondContact O-CA 3.45Å; Y422-C433 WeakPolarHBondContact O-CB 3.4Å; Y422-C433 PolarHBondContact O-N 2.91Å; Y422-F441 HydrophobicContact CD1-CD1 4.09Å; Y422-F441 AromaticContact CD1-CE1 3.58Å; Y422-F441 HydrophobicContact CD1-CE1 3.58Å; Y422-F441 HydrophobicContact CD1-CZ 4.15Å; Y422-F441 AromaticContact CD2-CE1 3.71Å; Y422-F441 HydrophobicContact CD2-CE1 3.71Å; Y422-F441 HydrophobicContact CD2-CZ 4.43Å; Y422-F441 AromaticContact CE1-CE1 3.94Å; Y422-F441 HydrophobicContact CE1-CE1 3.94Å; Y422-F441 HydrophobicContact CE1-CZ 4.05Å; Y422-F441 HydrophobicContact CE2-CE1 4.05Å; Y422-F441 HydrophobicContact CE2-CZ 4.33Å; Y422-F441 AromaticContact CG-CD1 3.99Å; Y422-F441 HydrophobicContact CG-CD1 3.99Å; Y422-F441 AromaticContact CG-CE1 3.44Å; Y422-F441 HydrophobicContact CG-CE1 3.44Å; Y422-F441 VanDerWaalsContact CG-CE1 3.44Å; Y422-F441 HydrophobicContact CG-CZ 4.33Å |
| 423 | A | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 145.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D405 G406 L408 V430 V431 I432 W495 | D405-A423 CarbonylContact C-O 3.54Å; D405-A423 WeakPolarHBondContact CA-O 3.27Å; D405-A423 WeakPolarHBondContact CB-O 3.34Å; G406-A423 PolarHBondContact N-O 3.07Å; G406-A423 PolarHBondContact O-N 3.12Å; L408-A423 HydrophobicContact CD2-CB 3.47Å; L408-A423 VanDerWaalsContact CD2-CB 3.47Å; L408-A423 HydrophobicContact CG-CB 4.03Å; A423-V430 HydrophobicContact CB-CG1 4.06Å; A423-V431 CarbonylContact C-O 3.53Å; A423-V431 WeakPolarHBondContact CA-O 3.02Å; A423-I432 HydrophobicContact CB-CD1 3.81Å; A423-W495 HydrophobicContact CB-CH2 3.65Å; A423-W495 HydrophobicContact CB-CZ3 4.11Å |
| 424 | F | 96.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 113.8 | 167.3 | -57.9 | -97.1 | 0 | 0 | 0 | 107.7 | F385 I389 D405 Y422 F426 V430 V431 C433 F441 | F385-F424 HydrophobicContact CD1-CD1 4.26Å; F385-F424 AromaticContact CD1-CE1 3.87Å; F385-F424 HydrophobicContact CD1-CE1 3.87Å; F385-F424 HydrophobicContact CD2-CD1 4.13Å; F385-F424 HydrophobicContact CE1-CD1 4.42Å; F385-F424 HydrophobicContact CE1-CE1 4.14Å; F385-F424 HydrophobicContact CE2-CD1 4.28Å; F385-F424 HydrophobicContact CG-CD1 4.1Å; F385-F424 HydrophobicContact CG-CE1 4.08Å; F385-F424 HydrophobicContact CZ-CD1 4.42Å; I389-F424 HydrophobicContact CD1-CD2 3.89Å; I389-F424 HydrophobicContact CD1-CE2 3.75Å; I389-F424 HydrophobicContact CD1-CG 4.5Å; I389-F424 HydrophobicContact CD1-CZ 4.25Å; I389-F424 HydrophobicContact CG1-CE2 4.1Å; I389-F424 HydrophobicContact CG1-CZ 4.49Å; D405-F424 HydrophobicContact CB-CB 4.41Å; D405-F424 HydrophobicContact CB-CD1 3.45Å; D405-F424 VanDerWaalsContact CB-CD1 3.45Å; D405-F424 HydrophobicContact CB-CE1 3.94Å; D405-F424 HydrophobicContact CB-CG 4.1Å; Y422-F424 HydrophobicContact CD1-CD2 4.15Å; Y422-F424 HydrophobicContact CD1-CE1 4.33Å; Y422-F424 AromaticContact CD1-CE2 3.59Å; Y422-F424 HydrophobicContact CD1-CE2 3.59Å; Y422-F424 AromaticContact CD1-CZ 3.7Å; Y422-F424 HydrophobicContact CD1-CZ 3.7Å; Y422-F424 HydrophobicContact CE1-CD1 4.38Å; Y422-F424 HydrophobicContact CE1-CD2 4.49Å; Y422-F424 AromaticContact CE1-CE1 3.8Å; Y422-F424 HydrophobicContact CE1-CE1 3.8Å; Y422-F424 AromaticContact CE1-CE2 3.92Å; Y422-F424 HydrophobicContact CE1-CE2 3.92Å; Y422-F424 AromaticContact CE1-CZ 3.54Å; Y422-F424 HydrophobicContact CE1-CZ 3.54Å; F424-F426 HydrophobicContact CB-CD2 4.38Å; F424-F426 HydrophobicContact CB-CE2 3.73Å; F424-V430 WeakPolarHBondContact O-CA 3.48Å; F424-V431 HydrophobicContact CB-CB 4.27Å; F424-V431 PolarHBondContact N-O 3.21Å; F424-V431 PolarHBondContact O-N 2.9Å; F424-C433 HydrophobicContact CE2-CB 4.47Å; F424-F441 HydrophobicContact CE2-CD1 4.31Å; F424-F441 HydrophobicContact CE2-CD2 4.34Å; F424-F441 HydrophobicContact CE2-CG 4.18Å; F424-F441 HydrophobicContact CZ-CD1 4.4Å; F424-F441 AromaticContact CZ-CD2 3.93Å; F424-F441 HydrophobicContact CZ-CD2 3.93Å; F424-F441 HydrophobicContact CZ-CE1 4.32Å; F424-F441 AromaticContact CZ-CE2 3.86Å; F424-F441 HydrophobicContact CZ-CE2 3.86Å; F424-F441 HydrophobicContact CZ-CG 4.2Å; F424-F441 HydrophobicContact CZ-CZ 4.05Å |
| 425 | L | 97.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.9 | 175.8 | 178.6 | 64.9 | 0 | 0 | 0 | 110 | P402 K403 I404 V430 L449 W495 Q498 F499 | P402-L425 CarbonylContact C-O 3.38Å; P402-L425 WeakPolarHBondContact CA-O 3.22Å; K403-L425 HydrophobicContact CB-CB 4.26Å; K403-L425 HydrophobicContact CB-CD2 3.86Å; K403-L425 HydrophobicContact CB-CG 3.88Å; K403-L425 HydrophobicContact CG-CD2 4.34Å; K403-L425 HydrophobicContact CG-CG 4.18Å; K403-L425 PolarHBondContact N-O 3.24Å; I404-L425 HydrophobicContact CG2-CB 3.86Å; I404-L425 HydrophobicContact CG2-CD2 3.82Å; I404-L425 HydrophobicContact CG2-CG 4.45Å; I404-L425 WeakPolarHBondContact O-CB 3.15Å; I404-L425 PolarHBondContact O-N 2.99Å; L425-V430 HydrophobicContact CD1-CG2 3.78Å; L425-L449 HydrophobicContact CD1-CD1 3.92Å; L425-W495 HydrophobicContact CB-CZ3 3.97Å; L425-Q498 HydrophobicContact CD2-CB 3.84Å; L425-F499 HydrophobicContact CD1-CD1 3.9Å; L425-F499 HydrophobicContact CD1-CD2 4.33Å; L425-F499 HydrophobicContact CD1-CE1 3.85Å; L425-F499 HydrophobicContact CD1-CE2 4.26Å; L425-F499 HydrophobicContact CD1-CG 4.17Å; L425-F499 HydrophobicContact CD1-CZ 4.03Å; L425-F499 HydrophobicContact CD2-CB 4.34Å; L425-F499 HydrophobicContact CD2-CD1 4.42Å; L425-F499 HydrophobicContact CD2-CD2 3.7Å; L425-F499 HydrophobicContact CD2-CE2 4.14Å; L425-F499 HydrophobicContact CD2-CG 3.86Å |
| 426 | F | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 169.5 | 171.4 | -68 | -99.2 | 0 | 0 | 0 | 110 | I382 F385 L396 F399 G400 R401 P402 F424 K428 A429 V431 | I382-F426 HydrophobicContact CD1-CE1 4.5Å; I382-F426 HydrophobicContact CG1-CE1 4.13Å; I382-F426 HydrophobicContact CG2-CE1 4.17Å; F385-F426 HydrophobicContact CD2-CZ 4.08Å; L396-F426 HydrophobicContact CB-CE1 4.31Å; L396-F426 HydrophobicContact CB-CZ 4.07Å; L396-F426 HydrophobicContact CD1-CZ 3.98Å; L396-F426 HydrophobicContact CD2-CE2 4.42Å; L396-F426 HydrophobicContact CD2-CZ 4.46Å; L396-F426 HydrophobicContact CG-CZ 4.39Å; F399-F426 HydrophobicContact CB-CB 3.61Å; F399-F426 HydrophobicContact CB-CD1 4.22Å; F399-F426 HydrophobicContact CB-CD2 4.49Å; F399-F426 HydrophobicContact CB-CG 3.88Å; F399-F426 WeakPolarHBondContact O-CB 3.04Å; G400-F426 WeakPolarHBondContact O-CD1 3.12Å; R401-F426 WeakPolarHBondContact O-CA 3.29Å; P402-F426 HydrophobicContact CB-CD1 4.25Å; P402-F426 HydrophobicContact CB-CE1 4.05Å; F424-F426 HydrophobicContact CB-CD2 4.38Å; F424-F426 HydrophobicContact CB-CE2 3.73Å; F426-K428 PolarHBondContact O-N 2.99Å; F426-K428 VanDerWaalsContact O-N 3.17Å; F426-A429 WeakPolarHBondContact CB-O 3.47Å; F426-A429 PolarHBondContact N-O 3.27Å; F426-V431 HydrophobicContact CD2-CG2 4.18Å; F426-V431 HydrophobicContact CE2-CG2 4.07Å |
| 427 | D | 94.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -49.1 | -42.5 | 175.5 | -73.2 | -57.1 | 0 | 0 | 0 | 112.9 | F399 R401 K403 N505 M506 M520 | F399-D427 PolarHBondContact O-N 3.34Å; R401-D427 WeakPolarHBondContact CB-OD2 3.39Å; R401-D427 PolarHBondContact N-OD2 3.17Å; R401-D427 PolarHBondContact O-N 3.46Å; K403-D427 WeakPolarHBondContact CE-OD1 3.49Å; K403-D427 IonicContact NZ-OD1 2.74Å; K403-D427 PolarHBondContact NZ-OD1 3.43Å; K403-D427 IonicContact NZ-OD2 3.73Å; D427-N505 PolarHBondContact OD1-ND2 2.88Å; D427-M506 VanDerWaalsContact O-CG 3.24Å; D427-M506 WeakPolarHBondContact O-CG 3.33Å; D427-M520 HydrophobicContact CB-CE 3.95Å; D427-M520 HydrophobicContact CB-SD 4.18Å |
| 428 | K | 94.1 | Very high | 92.3 | Very high | 40 Ų | 40 | 36 Ų | 36 | 17% | 0.174 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -108 | -12.8 | -172 | -61.1 | -179.8 | 179.9 | -179.5 | 0 | 115.4 | F399 F426 L449 M506 | F399-K428 WeakPolarHBondContact O-CB 3.23Å; F399-K428 PolarHBondContact O-N 3.17Å; F426-K428 PolarHBondContact O-N 2.99Å; F426-K428 VanDerWaalsContact O-N 3.17Å; K428-L449 PolarHBondContact O-N 2.72Å; K428-M506 HydrophobicContact CB-CE 4.45Å; K428-M506 HydrophobicContact CG-CE 4.46Å; K428-M506 HydrophobicContact CG-CG 4.31Å |
| 429 | A | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 157.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F399 F426 I446 I447 | F399-A429 HydrophobicContact CB-CB 4.17Å; F399-A429 HydrophobicContact CD1-CB 3.39Å; F399-A429 HydrophobicContact CD2-CB 4.37Å; F399-A429 HydrophobicContact CE1-CB 3.67Å; F399-A429 HydrophobicContact CG-CB 3.75Å; F399-A429 HydrophobicContact CZ-CB 4.25Å; F426-A429 WeakPolarHBondContact CB-O 3.47Å; F426-A429 PolarHBondContact N-O 3.27Å; A429-I446 HydrophobicContact CB-CG2 4.22Å; A429-I447 CarbonylContact C-O 3.59Å; A429-I447 WeakPolarHBondContact CA-O 3.13Å |
| 430 | V | 96.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 121.4 | 166.1 | -159.6 | 0 | 0 | 0 | 0 | 108.6 | A423 F424 L425 I432 I447 L449 F499 | A423-V430 HydrophobicContact CB-CG1 4.06Å; F424-V430 WeakPolarHBondContact O-CA 3.48Å; L425-V430 HydrophobicContact CD1-CG2 3.78Å; V430-I432 HydrophobicContact CB-CD1 4.4Å; V430-I432 HydrophobicContact CG1-CD1 3.68Å; V430-I447 HydrophobicContact CB-CB 4.29Å; V430-I447 HydrophobicContact CG2-CB 4.48Å; V430-I447 PolarHBondContact N-O 3.31Å; V430-I447 PolarHBondContact O-N 3.12Å; V430-L449 HydrophobicContact CG2-CD2 3.77Å; V430-L449 HydrophobicContact CG2-CG 4.36Å; V430-F499 HydrophobicContact CG1-CZ 4.36Å; V430-F499 HydrophobicContact CG2-CE1 3.46Å; V430-F499 VanDerWaalsContact CG2-CE1 3.46Å; V430-F499 HydrophobicContact CG2-CZ 3.55Å |
| 431 | V | 96.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 111 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | I389 L396 F399 A423 F424 F426 L443 | I389-V431 HydrophobicContact CD1-CG1 4.41Å; L396-V431 HydrophobicContact CD2-CG2 3.91Å; F399-V431 HydrophobicContact CD2-CG2 4.35Å; F399-V431 HydrophobicContact CE2-CG2 4.15Å; A423-V431 CarbonylContact C-O 3.53Å; A423-V431 WeakPolarHBondContact CA-O 3.02Å; F424-V431 HydrophobicContact CB-CB 4.27Å; F424-V431 PolarHBondContact N-O 3.21Å; F424-V431 PolarHBondContact O-N 2.9Å; F426-V431 HydrophobicContact CD2-CG2 4.18Å; F426-V431 HydrophobicContact CE2-CG2 4.07Å; V431-L443 HydrophobicContact CG1-CD1 3.41Å; V431-L443 VanDerWaalsContact CG1-CD1 3.41Å |
| 432 | I | 96.1 | Very high | 91.1 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 120.9 | -178.2 | -54.9 | -60.5 | 0 | 0 | 0 | 109.5 | I410 R421 A423 V430 K444 D445 I447 F484 | I410-I432 HydrophobicContact CD1-CD1 4.08Å; I410-I432 HydrophobicContact CD1-CG1 4.36Å; R421-I432 HydrophobicContact CB-CG2 3.99Å; R421-I432 HydrophobicContact CG-CG2 3.74Å; A423-I432 HydrophobicContact CB-CD1 3.81Å; V430-I432 HydrophobicContact CB-CD1 4.4Å; V430-I432 HydrophobicContact CG1-CD1 3.68Å; I432-K444 WeakPolarHBondContact O-CA 3.23Å; I432-K444 WeakPolarHBondContact O-CB 3.35Å; I432-K444 PolarHBondContact O-N 3.33Å; I432-D445 HydrophobicContact CB-CB 4.1Å; I432-D445 HydrophobicContact CG1-CB 4.43Å; I432-D445 PolarHBondContact N-O 3.08Å; I432-D445 PolarHBondContact O-N 3.09Å; I432-D445 VanDerWaalsContact O-N 3.1Å; I432-I447 HydrophobicContact CD1-CD1 4.26Å; I432-I447 HydrophobicContact CG1-CD1 3.82Å; I432-I447 HydrophobicContact CG1-CG1 4.29Å; I432-F484 HydrophobicContact CD1-CE1 4.18Å |
| 433 | C | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 155.7 | -175.5 | -66.9 | 0 | 0 | 0 | 0 | 112.1 | R421 Y422 F424 F441 E442 | R421-C433 WeakPolarHBondContact CA-O 3.37Å; R421-C433 WeakPolarHBondContact CD-O 3.49Å; Y422-C433 PolarHBondContact N-O 3.33Å; Y422-C433 WeakPolarHBondContact O-CA 3.45Å; Y422-C433 WeakPolarHBondContact O-CB 3.4Å; Y422-C433 PolarHBondContact O-N 2.91Å; F424-C433 HydrophobicContact CE2-CB 4.47Å; C433-F441 HydrophobicContact CB-CB 3.94Å; C433-F441 HydrophobicContact CB-CD1 4.33Å; C433-E442 CarbonylContact C-O 3.54Å; C433-E442 VanDerWaalsContact CA-O 3.27Å; C433-E442 WeakPolarHBondContact CA-O 3.46Å |
| 434 | K | 93.9 | Very high | 90.9 | Very high | 104 Ų | 104 | 36 Ų | 36 | 45% | 0.452 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.5 | 162.9 | -173.4 | -175.1 | -176.7 | -170.5 | 0 | 108.4 | K436 E442 K444 | K434-K436 PolarHBondContact O-N 3.2Å; K434-E442 PolarHBondContact N-O 3.45Å; K434-E442 PolarHBondContact O-N 2.87Å; K434-K444 HydrophobicContact CB-CD 4.32Å; K434-K444 VanDerWaalsContact CB-CE 3.45Å; K434-K444 HydrophobicContact CB-CG 3.91Å |
| 435 | K | 87.1 | Confident | 90.7 | Very high | 64 Ų | 64 | 38.9 Ų | 38.9 | 28% | 0.278 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 129.2 | 173.1 | -169.2 | 169.1 | 175.5 | 175.8 | 0 | 109.6 | E407 F441 | E407-K435 IonicContact OE1-NZ 3.86Å; E407-K435 PolarHBondContact OE1-NZ 3.32Å; K435-F441 HydrophobicContact CB-CD1 4.43Å; K435-F441 HydrophobicContact CB-CE1 4.49Å; K435-F441 HydrophobicContact CG-CE1 4.31Å |
| 436 | K | 84.5 | Confident | 90.6 | Very high | 101 Ų | 101 | 40.7 Ų | 40.7 | 44% | 0.439 | 22% | 0.217 | S | C | . | . | trans | -95.9 | -98.4 | 176.5 | -76.7 | -178 | 167 | 175 | 0 | 110.1 | E390 K434 T440 E442 | E390-K436 IonicContact OE2-NZ 3.96Å; E390-K436 PolarHBondContact OE2-NZ 2.63Å; K434-K436 PolarHBondContact O-N 3.2Å; K436-T440 PolarHBondContact N-O 3.29Å; K436-T440 VanDerWaalsContact N-O 3.09Å; K436-E442 HydrophobicContact CD-CB 4.2Å; K436-E442 WeakPolarHBondContact CE-OE2 3.39Å; K436-E442 HydrophobicContact CG-CB 4.27Å | ||
| 437 | S | 74.2 | Confident | 90.4 | Very high | 93 Ų | 93 | 40.8 Ų | 40.8 | 65% | 0.65 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -136.2 | 136 | 179.8 | 53.3 | 0 | 0 | 0 | 0 | 110 | T440 | S437-T440 PolarHBondContact O-OG1 3.41Š|
| 438 | G | 72.2 | Confident | 90.3 | Very high | 57 Ų | 57 | 45.2 Ų | 45.2 | 59% | 0.588 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | -130.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 439 | E | 73.8 | Confident | 90.2 | Very high | 73 Ų | 73 | 43.4 Ų | 43.4 | 34% | 0.341 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 11.7 | -178.6 | -67.4 | 179.5 | 177.9 | 0 | 0 | 113.5 | F69 R76 S388 F441 | F69-E439 HydrophobicContact CE2-CB 4.4Å; R76-E439 WeakPolarHBondContact CD-OE1 3.33Å; R76-E439 IonicContact CZ-OE1 2.81Å; R76-E439 IonicContact NE-OE1 3.68Å; R76-E439 VanDerWaalsContact NH1-CD 3.34Å; R76-E439 IonicContact NH1-OE1 3.46Å; R76-E439 PolarHBondContact NH1-OE1 2.87Å; S388-E439 WeakPolarHBondContact CB-O 3.31Å; E439-F441 WeakPolarHBondContact O-CD2 3.39Å; E439-F441 VanDerWaalsContact O-CE2 3.26Å; E439-F441 WeakPolarHBondContact O-CE2 3.36Å |
| 440 | T | 88.2 | Confident | 89.7 | Confident | 51 Ų | 51 | 48 Ų | 48 | 31% | 0.313 | 25% | 0.251 | S | S | . | . | trans | -93.6 | 133.7 | -177.6 | 59.2 | 0 | 0 | 0 | 0 | 112.3 | K436 S437 | K436-T440 PolarHBondContact N-O 3.29Å; K436-T440 VanDerWaalsContact N-O 3.09Å; S437-T440 PolarHBondContact O-OG1 3.41Å | ||
| 441 | F | 92.9 | Very high | 89.1 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.7 | -178.9 | -60.3 | -82.8 | 0 | 0 | 0 | 109.9 | F69 S388 I389 E390 Y422 F424 C433 K435 E439 | F69-F441 AromaticContact CD2-CE2 3.87Å; F69-F441 HydrophobicContact CD2-CE2 3.87Å; F69-F441 HydrophobicContact CD2-CZ 4.29Å; F69-F441 HydrophobicContact CE2-CE2 4.04Å; S388-F441 PolarHBondContact O-N 2.86Å; I389-F441 CarbonylContact C-O 3.34Å; I389-F441 WeakPolarHBondContact CA-O 3.21Å; I389-F441 HydrophobicContact CG1-CB 3.95Å; I389-F441 HydrophobicContact CG1-CD2 4.48Å; E390-F441 PolarHBondContact N-O 2.99Å; Y422-F441 HydrophobicContact CD1-CD1 4.09Å; Y422-F441 AromaticContact CD1-CE1 3.58Å; Y422-F441 HydrophobicContact CD1-CE1 3.58Å; Y422-F441 HydrophobicContact CD1-CZ 4.15Å; Y422-F441 AromaticContact CD2-CE1 3.71Å; Y422-F441 HydrophobicContact CD2-CE1 3.71Å; Y422-F441 HydrophobicContact CD2-CZ 4.43Å; Y422-F441 AromaticContact CE1-CE1 3.94Å; Y422-F441 HydrophobicContact CE1-CE1 3.94Å; Y422-F441 HydrophobicContact CE1-CZ 4.05Å; Y422-F441 HydrophobicContact CE2-CE1 4.05Å; Y422-F441 HydrophobicContact CE2-CZ 4.33Å; Y422-F441 AromaticContact CG-CD1 3.99Å; Y422-F441 HydrophobicContact CG-CD1 3.99Å; Y422-F441 AromaticContact CG-CE1 3.44Å; Y422-F441 HydrophobicContact CG-CE1 3.44Å; Y422-F441 VanDerWaalsContact CG-CE1 3.44Å; Y422-F441 HydrophobicContact CG-CZ 4.33Å; F424-F441 HydrophobicContact CE2-CD1 4.31Å; F424-F441 HydrophobicContact CE2-CD2 4.34Å; F424-F441 HydrophobicContact CE2-CG 4.18Å; F424-F441 HydrophobicContact CZ-CD1 4.4Å; F424-F441 AromaticContact CZ-CD2 3.93Å; F424-F441 HydrophobicContact CZ-CD2 3.93Å; F424-F441 HydrophobicContact CZ-CE1 4.32Å; F424-F441 AromaticContact CZ-CE2 3.86Å; F424-F441 HydrophobicContact CZ-CE2 3.86Å; F424-F441 HydrophobicContact CZ-CG 4.2Å; F424-F441 HydrophobicContact CZ-CZ 4.05Å; C433-F441 HydrophobicContact CB-CB 3.94Å; C433-F441 HydrophobicContact CB-CD1 4.33Å; K435-F441 HydrophobicContact CB-CD1 4.43Å; K435-F441 HydrophobicContact CB-CE1 4.49Å; K435-F441 HydrophobicContact CG-CE1 4.31Å; E439-F441 WeakPolarHBondContact O-CD2 3.39Å; E439-F441 VanDerWaalsContact O-CE2 3.26Å; E439-F441 WeakPolarHBondContact O-CE2 3.36Å |
| 442 | E | 94.3 | Very high | 88.8 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 19% | 0.192 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.1 | 174.2 | -168.4 | -164.6 | 165.4 | 0 | 0 | 109.5 | C433 K434 K436 K444 | C433-E442 CarbonylContact C-O 3.54Å; C433-E442 VanDerWaalsContact CA-O 3.27Å; C433-E442 WeakPolarHBondContact CA-O 3.46Å; K434-E442 PolarHBondContact N-O 3.45Å; K434-E442 PolarHBondContact O-N 2.87Å; K436-E442 HydrophobicContact CD-CB 4.2Å; K436-E442 WeakPolarHBondContact CE-OE2 3.39Å; K436-E442 HydrophobicContact CG-CB 4.27Å; E442-K444 PolarHBondContact O-N 3.01Å; E442-K444 IonicContact OE1-NZ 2.98Å; E442-K444 PolarHBondContact OE1-NZ 3.02Å; E442-K444 WeakPolarHBondContact OE2-CE 3.49Å; E442-K444 IonicContact OE2-NZ 3.17Å; E442-K444 PolarHBondContact OE2-NZ 3.19Å |
| 443 | L | 95.3 | Very high | 88.5 | Confident | 26 Ų | 26 | 59.2 Ų | 59.2 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 133.6 | 176.6 | -176.4 | 66.9 | 0 | 0 | 0 | 111.1 | I389 E390 N391 L392 V431 I446 | I389-L443 HydrophobicContact CG2-CB 4.08Å; E390-L443 VanDerWaalsContact O-CB 3.31Å; E390-L443 WeakPolarHBondContact O-CB 3.38Å; E390-L443 PolarHBondContact O-N 3.22Å; E390-L443 VanDerWaalsContact O-N 3.07Å; N391-L443 HydrophobicContact CB-CB 4.38Å; N391-L443 WeakPolarHBondContact O-CD2 3.44Å; L392-L443 HydrophobicContact CD1-CD2 4.31Å; V431-L443 HydrophobicContact CG1-CD1 3.41Å; V431-L443 VanDerWaalsContact CG1-CD1 3.41Å; L443-I446 HydrophobicContact CD1-CD1 4.32Å; L443-I446 HydrophobicContact CD1-CG1 3.81Å; L443-I446 HydrophobicContact CD2-CD1 3.98Å; L443-I446 HydrophobicContact CD2-CG1 4.17Å; L443-I446 HydrophobicContact CG-CG1 4.49Å |
| 444 | K | 94.3 | Very high | 88.3 | Confident | 89 Ų | 89 | 61 Ų | 61 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | -39.5 | 175.4 | -64.3 | -59.3 | 174.1 | -167.5 | 0 | 113.3 | I432 K434 E442 | I432-K444 WeakPolarHBondContact O-CA 3.23Å; I432-K444 WeakPolarHBondContact O-CB 3.35Å; I432-K444 PolarHBondContact O-N 3.33Å; K434-K444 HydrophobicContact CB-CD 4.32Å; K434-K444 VanDerWaalsContact CB-CE 3.45Å; K434-K444 HydrophobicContact CB-CG 3.91Å; E442-K444 PolarHBondContact O-N 3.01Å; E442-K444 IonicContact OE1-NZ 2.98Å; E442-K444 PolarHBondContact OE1-NZ 3.02Å; E442-K444 WeakPolarHBondContact OE2-CE 3.49Å; E442-K444 IonicContact OE2-NZ 3.17Å; E442-K444 PolarHBondContact OE2-NZ 3.19Å |
| 445 | D | 92.6 | Very high | 88.2 | Confident | 64 Ų | 64 | 63 Ų | 63 | 34% | 0.342 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 155.8 | 179.3 | -155.8 | 2 | 0 | 0 | 0 | 110.6 | I432 Y482 | I432-D445 HydrophobicContact CB-CB 4.1Å; I432-D445 HydrophobicContact CG1-CB 4.43Å; I432-D445 PolarHBondContact N-O 3.08Å; I432-D445 PolarHBondContact O-N 3.09Å; I432-D445 VanDerWaalsContact O-N 3.1Å; D445-Y482 PolarHBondContact OD2-OH 3.36Å |
| 446 | I | 94.1 | Very high | 88.5 | Confident | 38 Ų | 38 | 63.4 Ų | 63.4 | 20% | 0.195 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 113.4 | 171.2 | -60.9 | -178.7 | 0 | 0 | 0 | 107.1 | F399 A429 L443 | F399-I446 HydrophobicContact CE1-CG2 3.98Å; F399-I446 HydrophobicContact CE2-CD1 4.49Å; F399-I446 HydrophobicContact CE2-CG2 4.34Å; F399-I446 HydrophobicContact CZ-CD1 4.1Å; F399-I446 HydrophobicContact CZ-CG2 3.53Å; A429-I446 HydrophobicContact CB-CG2 4.22Å; L443-I446 HydrophobicContact CD1-CD1 4.32Å; L443-I446 HydrophobicContact CD1-CG1 3.81Å; L443-I446 HydrophobicContact CD2-CD1 3.98Å; L443-I446 HydrophobicContact CD2-CG1 4.17Å; L443-I446 HydrophobicContact CG-CG1 4.49Å |
| 447 | I | 92.8 | Very high | 88.6 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 103.3 | -177.7 | -52.9 | 171.2 | 0 | 0 | 0 | 108.3 | I410 A429 V430 I432 F452 L473 Y482 F484 | I410-I447 HydrophobicContact CD1-CD1 4.17Å; A429-I447 CarbonylContact C-O 3.59Å; A429-I447 WeakPolarHBondContact CA-O 3.13Å; V430-I447 HydrophobicContact CB-CB 4.29Å; V430-I447 HydrophobicContact CG2-CB 4.48Å; V430-I447 PolarHBondContact N-O 3.31Å; V430-I447 PolarHBondContact O-N 3.12Å; I432-I447 HydrophobicContact CD1-CD1 4.26Å; I432-I447 HydrophobicContact CG1-CD1 3.82Å; I432-I447 HydrophobicContact CG1-CG1 4.29Å; I447-F452 HydrophobicContact CG2-CD2 4.29Å; I447-F452 HydrophobicContact CG2-CE2 3.85Å; I447-F452 HydrophobicContact CG2-CZ 4.01Å; I447-L473 HydrophobicContact CG2-CD2 3.8Å; I447-Y482 HydrophobicContact CD1-CD1 3.79Å; I447-Y482 HydrophobicContact CD1-CD2 3.95Å; I447-Y482 HydrophobicContact CD1-CE1 3.66Å; I447-Y482 HydrophobicContact CD1-CE2 3.86Å; I447-Y482 HydrophobicContact CD1-CG 3.9Å; I447-Y482 HydrophobicContact CG1-CE1 4.18Å; I447-Y482 HydrophobicContact CG1-CE2 4.01Å; I447-Y482 HydrophobicContact CG2-CD2 4.27Å; I447-Y482 HydrophobicContact CG2-CE2 3.94Å; I447-F484 HydrophobicContact CD1-CZ 4.14Å |
| 448 | E | 91.8 | Very high | 88.7 | Confident | 93 Ų | 93 | 60.4 Ų | 60.4 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.1 | 176.4 | -67 | -173.9 | -172 | 0 | 0 | 111.6 | H450 F452 | E448-H450 VanDerWaalsContact C-N 3.3Å; E448-H450 PolarHBondContact O-N 2.86Å; E448-F452 WeakPolarHBondContact O-CD2 3.48Å; E448-F452 WeakPolarHBondContact O-CE2 3.38Å |
| 449 | L | 91.8 | Very high | 88.6 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -75.4 | -11.9 | -168.9 | -64.4 | 177.5 | 0 | 0 | 0 | 114.6 | L425 K428 V430 H451 F452 L473 F499 A502 M506 | L425-L449 HydrophobicContact CD1-CD1 3.92Å; K428-L449 PolarHBondContact O-N 2.72Å; V430-L449 HydrophobicContact CG2-CD2 3.77Å; V430-L449 HydrophobicContact CG2-CG 4.36Å; L449-H451 PolarHBondContact O-N 2.9Å; L449-F452 PolarHBondContact O-N 2.86Å; L449-L473 HydrophobicContact CD2-CD1 4.26Å; L449-L473 HydrophobicContact CD2-CD2 3.93Å; L449-F499 HydrophobicContact CD1-CD1 4.47Å; L449-F499 HydrophobicContact CD2-CD1 4.16Å; L449-F499 HydrophobicContact CD2-CE1 3.84Å; L449-A502 HydrophobicContact CD1-CB 4.1Å; L449-M506 HydrophobicContact CB-CE 4.21Å; L449-M506 HydrophobicContact CB-SD 3.61Å |
| 450 | H | 85.2 | Confident | 87.9 | Confident | 95 Ų | 95 | 59.5 Ų | 59.5 | 44% | 0.44 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -56.4 | -29.1 | -171.8 | -64.8 | 87.5 | 0 | 0 | 0 | 114 | E448 M506 | E448-H450 VanDerWaalsContact C-N 3.3Å; E448-H450 PolarHBondContact O-N 2.86Å; H450-M506 HydrophobicContact CB-CE 3.79Å; H450-M506 WeakPolarHBondContact CD2-CE 3.32Å; H450-M506 WeakPolarHBondContact ND1-CE 3.46Å; H450-M506 VanDerWaalsContact NE2-CE 3.34Å; H450-M506 WeakPolarHBondContact NE2-CE 3.48Å |
| 451 | H | 83.5 | Confident | 86.7 | Confident | 88 Ų | 88 | 59 Ų | 59 | 41% | 0.407 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -113.3 | 16.1 | -175.8 | -52.7 | 115 | 0 | 0 | 0 | 112.7 | L449 D475 C476 F477 | L449-H451 PolarHBondContact O-N 2.9Å; H451-D475 CarbonylContact O-C 3.19Å; H451-D475 WeakPolarHBondContact O-CA 3.43Å; H451-C476 VanDerWaalsContact C-SG 3.58Å; H451-C476 WeakPolarHBondContact O-CB 3.34Å; H451-C476 PolarHBondContact O-N 3.07Å; H451-C476 PolarHBondContact O-SG 3.48Å; H451-F477 HydrophobicContact CB-CD2 4.47Å; H451-F477 HydrophobicContact CB-CE2 4.22Å; H451-F477 AromaticContact CD2-CE2 3.83Å |
| 452 | F | 89.8 | Confident | 85.1 | Confident | 26 Ų | 26 | 67.2 Ų | 67.2 | 11% | 0.114 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 152.2 | -178.4 | -71.2 | -92.6 | 0 | 0 | 0 | 112.3 | I447 E448 L449 L473 L474 D475 Y482 | I447-F452 HydrophobicContact CG2-CD2 4.29Å; I447-F452 HydrophobicContact CG2-CE2 3.85Å; I447-F452 HydrophobicContact CG2-CZ 4.01Å; E448-F452 WeakPolarHBondContact O-CD2 3.48Å; E448-F452 WeakPolarHBondContact O-CE2 3.38Å; L449-F452 PolarHBondContact O-N 2.86Å; F452-L473 HydrophobicContact CB-CD1 3.58Å; F452-L473 HydrophobicContact CB-CD2 4.31Å; F452-L473 HydrophobicContact CB-CG 3.71Å; F452-L473 HydrophobicContact CD1-CD1 4.48Å; F452-L473 HydrophobicContact CD1-CD2 4.14Å; F452-L473 HydrophobicContact CD1-CG 3.66Å; F452-L473 HydrophobicContact CG-CD1 4.28Å; F452-L473 HydrophobicContact CG-CD2 4.15Å; F452-L473 HydrophobicContact CG-CG 3.83Å; F452-L474 CarbonylContact C-O 3.6Å; F452-L474 VanDerWaalsContact CA-O 3.3Å; F452-L474 WeakPolarHBondContact CA-O 3.15Å; F452-L474 VanDerWaalsContact CD1-C 3.4Å; F452-D475 HydrophobicContact CD1-CB 4.31Å; F452-D475 HydrophobicContact CE1-CB 3.96Å; F452-D475 HydrophobicContact CZ-CB 4.41Å; F452-Y482 HydrophobicContact CE1-CD2 4.06Å; F452-Y482 HydrophobicContact CE1-CE2 4.08Å; F452-Y482 HydrophobicContact CZ-CD2 4.42Å; F452-Y482 HydrophobicContact CZ-CE2 4Å |
| 453 | Q | 89.9 | Confident | 83.5 | Confident | 127 Ų | 127 | 71.2 Ų | 71.2 | 59% | 0.593 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 149.5 | 168.9 | -70.4 | 177.1 | 3.8 | 0 | 0 | 109.3 | L474 | Q453-L474 PolarHBondContact N-O 3.41Å; Q453-L474 PolarHBondContact O-N 2.86Å |
| 454 | I | 93.1 | Very high | 82.3 | Confident | 38 Ų | 38 | 76.1 Ų | 76.1 | 20% | 0.195 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 139.4 | 176.4 | -67.6 | -175.3 | 0 | 0 | 0 | 110.7 | F471 L472 L473 L496 F499 M503 | I454-F471 HydrophobicContact CD1-CE2 4.28Å; I454-F471 HydrophobicContact CG2-CB 4.44Å; I454-F471 HydrophobicContact CG2-CD2 4Å; I454-F471 HydrophobicContact CG2-CG 4.39Å; I454-L472 WeakPolarHBondContact CA-O 3.35Å; I454-L473 HydrophobicContact CD1-CD1 4.14Å; I454-L473 HydrophobicContact CG1-CD1 3.53Å; I454-L496 HydrophobicContact CG2-CD1 3.46Å; I454-L496 VanDerWaalsContact CG2-CD1 3.46Å; I454-F499 HydrophobicContact CD1-CB 3.27Å; I454-F499 HydrophobicContact CD1-CD1 3.62Å; I454-F499 HydrophobicContact CD1-CG 3.64Å; I454-M503 HydrophobicContact CB-CE 3.85Å; I454-M503 HydrophobicContact CD1-CE 3.19Å; I454-M503 HydrophobicContact CD1-SD 4.24Å; I454-M503 HydrophobicContact CG1-CE 3.37Å; I454-M503 HydrophobicContact CG1-SD 4.03Å |
| 455 | R | 92.1 | Very high | 81.8 | Confident | 146 Ų | 146 | 78.9 Ų | 78.9 | 55% | 0.551 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 114.7 | 170.1 | -169.7 | -175.9 | -156.6 | -169.3 | 5.3 | 109.2 | E457 L472 L474 | R455-E457 IonicContact CZ-OE1 3.83Å; R455-E457 IonicContact NE-OE1 3.26Å; R455-E457 IonicContact NH1-OE1 3.14Å; R455-L472 HydrophobicContact CB-CB 4.42Å; R455-L472 PolarHBondContact N-O 2.93Å; R455-L472 PolarHBondContact O-N 3.27Å; R455-L474 HydrophobicContact CB-CD1 4.15Å |
| 456 | D | 91.9 | Very high | 81.5 | Confident | 72 Ų | 72 | 80.7 Ų | 80.7 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 132.3 | 171.9 | -172.6 | 18.9 | 0 | 0 | 0 | 110.8 | K492 L496 | D456-K492 WeakPolarHBondContact OD1-CE 3.27Å; D456-K492 IonicContact OD1-NZ 3.53Å; D456-K492 PolarHBondContact OD1-NZ 3.24Å; D456-K492 IonicContact OD2-NZ 2.73Å; D456-L496 HydrophobicContact CB-CD2 4.15Å |
| 457 | E | 86.1 | Confident | 81.3 | Confident | 44 Ų | 44 | 82 Ų | 82 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.4 | 174 | -75.3 | -69.4 | 153.8 | 0 | 0 | 110.1 | R455 T459 M470 L472 K492 | R455-E457 IonicContact CZ-OE1 3.83Å; R455-E457 IonicContact NE-OE1 3.26Å; R455-E457 IonicContact NH1-OE1 3.14Å; E457-T459 PolarHBondContact OE2-OG1 3.4Å; E457-M470 HydrophobicContact CB-CG 4.28Å; E457-L472 HydrophobicContact CB-CD1 4.24Å; E457-L472 HydrophobicContact CG-CD1 3.13Å; E457-K492 PolarHBondContact O-NZ 2.86Å |
| 458 | T | 77.4 | Confident | 81.1 | Confident | 87 Ų | 87 | 82.9 Ų | 82.9 | 53% | 0.534 | 40% | 0.402 | S | S | . | . | trans | -95.6 | -3.9 | -180 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | G460 E461 | T458-G460 PolarHBondContact O-N 3.48Å; T458-E461 PolarHBondContact O-N 2.94Å | ||
| 459 | T | 69 | Low | 81.1 | Confident | 96 Ų | 96 | 79.6 Ų | 79.6 | 59% | 0.589 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -65.9 | -34.1 | -175.9 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | E457 | E457-T459 PolarHBondContact OE2-OG1 3.4Š|
| 460 | G | 60.1 | Low | 81.1 | Confident | 15 Ų | 15 | 80.8 Ų | 80.8 | 16% | 0.155 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -74.4 | -15.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T458 K462 S468 | T458-G460 PolarHBondContact O-N 3.48Å; G460-K462 PolarHBondContact O-N 3.23Å; G460-S468 PolarHBondContact O-OG 3.45Å |
| 461 | E | 61.9 | Low | 81.6 | Confident | 42 Ų | 42 | 76.3 Ų | 76.3 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -71.2 | -11.9 | -177.8 | -65 | -173.9 | -167.5 | 0 | 0 | 113.3 | T458 N464 Y469 R489 K492 | T458-E461 PolarHBondContact O-N 2.94Å; E461-N464 PolarHBondContact O-OD1 3.49Å; E461-Y469 HydrophobicContact CG-CD1 4.15Å; E461-Y469 HydrophobicContact CG-CE1 4.5Å; E461-R489 IonicContact OE2-CZ 2.79Å; E461-R489 IonicContact OE2-NE 3.2Å; E461-R489 PolarHBondContact OE2-NE 3.07Å; E461-R489 VanDerWaalsContact OE2-NE 3.14Å; E461-R489 IonicContact OE2-NH2 2.83Å; E461-R489 PolarHBondContact OE2-NH2 3.14Å; E461-K492 IonicContact OE1-NZ 3.97Å; E461-K492 PolarHBondContact OE1-NZ 3.03Å |
| 462 | K | 60 | Low | 82 | Confident | 179 Ų | 179 | 73.4 Ų | 73.4 | 78% | 0.778 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -76.2 | -22.3 | -177.5 | -66.8 | -175.6 | 179.1 | 179.9 | 0 | 114.2 | G460 | G460-K462 PolarHBondContact O-N 3.23Š|
| 463 | D | 60.5 | Low | 82.2 | Confident | 125 Ų | 125 | 72.2 Ų | 72.2 | 67% | 0.668 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -97.5 | -5.2 | -171 | -70.7 | -17.8 | 0 | 0 | 0 | 113.5 | K465 | D463-K465 HydrophobicContact CB-CB 4.29Å; D463-K465 PolarHBondContact O-N 2.94Å |
| 464 | N | 70.6 | Confident | 82.3 | Confident | 128 Ų | 128 | 69.2 Ų | 69.2 | 68% | 0.684 | 34% | 0.34 | S | S | * | . | trans | 42.1 | 29.3 | -175 | -80.3 | -4.6 | 0 | 0 | 0 | 114.5 | E461 Y469 | E461-N464 PolarHBondContact O-OD1 3.49Å; N464-Y469 WeakPolarHBondContact CA-OH 3.4Å | ||
| 465 | K | 83.6 | Confident | 82 | Confident | 147 Ų | 147 | 68 Ų | 68 | 64% | 0.639 | 33% | 0.334 | S | S | * | . | trans | -97.3 | 134 | -171.5 | -172 | 174.1 | -179.7 | 175.4 | 0 | 110.1 | D463 W467 S468 | D463-K465 HydrophobicContact CB-CB 4.29Å; D463-K465 PolarHBondContact O-N 2.94Å; K465-W467 PolarHBondContact O-N 2.92Å; K465-S468 VanDerWaalsContact O-CB 3.24Å; K465-S468 WeakPolarHBondContact O-CB 3.5Å; K465-S468 PolarHBondContact O-N 3.13Å; K465-S468 VanDerWaalsContact O-N 3.16Å; K465-S468 PolarHBondContact O-OG 2.83Å | ||
| 466 | K | 85.8 | Confident | 81.5 | Confident | 102 Ų | 102 | 64.1 Ų | 64.1 | 44% | 0.443 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 138.7 | 175.4 | -61.2 | -178.4 | -167.1 | -170.5 | 0 | 110.9 | D146 S468 K487 | D146-K466 VanDerWaalsContact CG-CE 3.45Å; D146-K466 WeakPolarHBondContact OD1-CE 3.23Å; D146-K466 IonicContact OD1-NZ 3.81Å; D146-K466 PolarHBondContact OD1-NZ 3.25Å; D146-K466 VanDerWaalsContact OD2-CE 3.3Å; D146-K466 WeakPolarHBondContact OD2-CE 3.32Å; D146-K466 IonicContact OD2-NZ 3.98Å; D146-K466 PolarHBondContact OD2-NZ 3.06Å; K466-S468 VanDerWaalsContact C-N 3.26Å; K466-S468 PolarHBondContact O-N 3.46Å; K466-K487 WeakPolarHBondContact CA-O 3.31Å |
| 467 | W | 89.8 | Confident | 81 | Confident | 66 Ų | 66 | 67 Ų | 67 | 25% | 0.25 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 22.5 | 179.8 | -54.4 | 103.6 | 0 | 0 | 0 | 115.3 | K409 K418 K465 F486 K487 | K409-W467 HydrophobicContact CB-CE3 4.02Å; K409-W467 HydrophobicContact CB-CZ3 4.2Å; K409-W467 HydrophobicContact CD-CB 4.03Å; K409-W467 HydrophobicContact CD-CD2 3.68Å; K409-W467 HydrophobicContact CD-CE3 3.57Å; K409-W467 HydrophobicContact CD-CG 3.9Å; K409-W467 HydrophobicContact CD-CZ3 4.22Å; K409-W467 HydrophobicContact CG-CD2 4.25Å; K409-W467 HydrophobicContact CG-CE3 3.71Å; K409-W467 HydrophobicContact CG-CZ3 3.87Å; K418-W467 PolarHBondContact NZ-O 2.91Å; K465-W467 PolarHBondContact O-N 2.92Å; W467-F486 WeakPolarHBondContact CA-O 3.35Å; W467-F486 PolarHBondContact N-O 3.46Å; W467-K487 HydrophobicContact CD2-CB 4.29Å; W467-K487 HydrophobicContact CE3-CB 4.5Å; W467-K487 HydrophobicContact CH2-CB 4.29Å; W467-K487 HydrophobicContact CZ2-CB 4.06Å; W467-K487 HydrophobicContact CZ2-CG 4.43Å; W467-K487 HydrophobicContact CZ3-CB 4.49Å; W467-K487 PolarHBondContact N-O 3.01Å |
| 468 | S | 89.8 | Confident | 80.4 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 15% | 0.154 | 36% | 0.361 | C | S | . | . | trans | -104.2 | -18.9 | 173.1 | 70.5 | 0 | 0 | 0 | 0 | 113.9 | G460 K465 K466 M470 | G460-S468 PolarHBondContact O-OG 3.45Å; K465-S468 VanDerWaalsContact O-CB 3.24Å; K465-S468 WeakPolarHBondContact O-CB 3.5Å; K465-S468 PolarHBondContact O-N 3.13Å; K465-S468 VanDerWaalsContact O-N 3.16Å; K465-S468 PolarHBondContact O-OG 2.83Å; K466-S468 VanDerWaalsContact C-N 3.26Å; K466-S468 PolarHBondContact O-N 3.46Å; S468-M470 PolarHBondContact O-N 3.12Å | ||
| 469 | Y | 91.1 | Very high | 80.3 | Confident | 23 Ų | 23 | 72.5 Ų | 72.5 | 9% | 0.09 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 123.6 | 177.5 | -51 | -73.7 | 0 | 0 | 0 | 110.1 | E461 N464 F485 F486 R489 | E461-Y469 HydrophobicContact CG-CD1 4.15Å; E461-Y469 HydrophobicContact CG-CE1 4.5Å; N464-Y469 WeakPolarHBondContact CA-OH 3.4Å; Y469-F485 CarbonylContact O-C 3.59Å; Y469-F485 VanDerWaalsContact O-CA 3.32Å; Y469-F485 WeakPolarHBondContact O-CA 3.3Å; Y469-F486 PolarHBondContact O-N 2.79Å; Y469-R489 HydrophobicContact CD1-CB 3.87Å; Y469-R489 HydrophobicContact CD1-CG 4.29Å; Y469-R489 HydrophobicContact CE1-CB 3.74Å; Y469-R489 HydrophobicContact CE1-CG 4.34Å; Y469-R489 HydrophobicContact CG-CB 4.32Å |
| 470 | M | 92.9 | Very high | 80.9 | Confident | 29 Ų | 29 | 70.3 Ų | 70.3 | 14% | 0.143 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 159.8 | -175.2 | 68 | 175.6 | -67.5 | 0 | 0 | 114.6 | E457 S468 L472 D483 F484 F485 K492 | E457-M470 HydrophobicContact CB-CG 4.28Å; S468-M470 PolarHBondContact O-N 3.12Å; M470-L472 HydrophobicContact CE-CD1 3.97Å; M470-L472 HydrophobicContact CE-CG 4.14Å; M470-D483 HydrophobicContact CE-CB 3.65Å; M470-F484 WeakPolarHBondContact CA-O 3.29Å; M470-F484 WeakPolarHBondContact CB-O 3.46Å; M470-F485 HydrophobicContact CB-CD1 3.7Å; M470-F485 HydrophobicContact CB-CE1 3.95Å; M470-F485 HydrophobicContact CB-CG 4.24Å; M470-F485 HydrophobicContact CE-CE1 4.01Å; M470-F485 HydrophobicContact CE-CZ 3.88Å; M470-F485 HydrophobicContact CG-CD1 4.35Å; M470-F485 HydrophobicContact CG-CE1 4.17Å; M470-F485 HydrophobicContact SD-CD1 4.09Å; M470-F485 HydrophobicContact SD-CE1 3.33Å; M470-F485 WeakPolarHBondContact SD-CE1 3.49Å; M470-F485 HydrophobicContact SD-CZ 3.8Å; M470-K492 WeakPolarHBondContact O-CE 3.37Å; M470-K492 PolarHBondContact O-NZ 3.2Å |
| 471 | F | 95.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 162.2 | 160.6 | 63.2 | -104 | 0 | 0 | 0 | 109.2 | I454 F484 F486 K492 W495 L496 F499 | I454-F471 HydrophobicContact CD1-CE2 4.28Å; I454-F471 HydrophobicContact CG2-CB 4.44Å; I454-F471 HydrophobicContact CG2-CD2 4Å; I454-F471 HydrophobicContact CG2-CG 4.39Å; F471-F484 HydrophobicContact CD2-CB 4.36Å; F471-F484 HydrophobicContact CE1-CB 4.46Å; F471-F484 HydrophobicContact CE2-CB 3.97Å; F471-F484 AromaticContact CE2-CD2 3.94Å; F471-F484 HydrophobicContact CE2-CD2 3.94Å; F471-F484 HydrophobicContact CE2-CG 4.06Å; F471-F484 HydrophobicContact CZ-CB 4.01Å; F471-F484 HydrophobicContact CZ-CG 4.26Å; F471-F484 PolarHBondContact N-O 3.1Å; F471-F484 PolarHBondContact O-N 2.8Å; F471-F486 AromaticContact CD1-CE2 3.6Å; F471-F486 HydrophobicContact CD1-CE2 3.6Å; F471-F486 HydrophobicContact CD1-CZ 4.23Å; F471-F486 HydrophobicContact CE1-CD2 4.37Å; F471-F486 AromaticContact CE1-CE2 3.21Å; F471-F486 HydrophobicContact CE1-CE2 3.21Å; F471-F486 AromaticContact CE1-CZ 3.38Å; F471-F486 HydrophobicContact CE1-CZ 3.38Å; F471-F486 AromaticContact CZ-CE2 3.93Å; F471-F486 HydrophobicContact CZ-CE2 3.93Å; F471-F486 AromaticContact CZ-CZ 3.75Å; F471-F486 HydrophobicContact CZ-CZ 3.75Å; F471-K492 HydrophobicContact CD1-CG 4.3Å; F471-W495 HydrophobicContact CE1-CB 4.12Å; F471-L496 HydrophobicContact CB-CD1 4.34Å; F471-L496 HydrophobicContact CD1-CB 4.15Å; F471-L496 HydrophobicContact CD1-CD1 4.04Å; F471-L496 HydrophobicContact CE1-CB 4.21Å; F471-L496 HydrophobicContact CE1-CD1 4.49Å; F471-L496 HydrophobicContact CG-CD1 4.09Å; F471-F499 HydrophobicContact CE2-CD2 4.12Å; F471-F499 HydrophobicContact CE2-CE2 4.06Å; F471-F499 HydrophobicContact CE2-CZ 4.38Å; F471-F499 AromaticContact CZ-CD2 3.57Å; F471-F499 HydrophobicContact CZ-CD2 3.57Å; F471-F499 AromaticContact CZ-CE2 3.58Å; F471-F499 HydrophobicContact CZ-CE2 3.58Å; F471-F499 HydrophobicContact CZ-CG 4.33Å; F471-F499 HydrophobicContact CZ-CZ 4.32Å |
| 472 | L | 92.8 | Very high | 83.8 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 15% | 0.147 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 143.4 | 178.3 | -64.4 | 90.1 | 0 | 0 | 0 | 111.2 | I454 R455 E457 M470 L474 Y482 D483 | I454-L472 WeakPolarHBondContact CA-O 3.35Å; R455-L472 HydrophobicContact CB-CB 4.42Å; R455-L472 PolarHBondContact N-O 2.93Å; R455-L472 PolarHBondContact O-N 3.27Å; E457-L472 HydrophobicContact CB-CD1 4.24Å; E457-L472 HydrophobicContact CG-CD1 3.13Å; M470-L472 HydrophobicContact CE-CD1 3.97Å; M470-L472 HydrophobicContact CE-CG 4.14Å; L472-L474 HydrophobicContact CB-CD2 4.02Å; L472-L474 HydrophobicContact CB-CG 4.05Å; L472-L474 HydrophobicContact CD2-CD2 3.98Å; L472-Y482 WeakPolarHBondContact CA-O 3.43Å; L472-D483 VanDerWaalsContact CD2-OD1 3.24Å; L472-D483 WeakPolarHBondContact CD2-OD1 3.22Å; L472-D483 WeakPolarHBondContact CG-OD1 3.27Å |
| 473 | L | 93.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 110.2 | 167.5 | -169.7 | 70.3 | 0 | 0 | 0 | 107.9 | I447 L449 F452 I454 G481 Y482 F484 F499 | I447-L473 HydrophobicContact CG2-CD2 3.8Å; L449-L473 HydrophobicContact CD2-CD1 4.26Å; L449-L473 HydrophobicContact CD2-CD2 3.93Å; F452-L473 HydrophobicContact CB-CD1 3.58Å; F452-L473 HydrophobicContact CB-CD2 4.31Å; F452-L473 HydrophobicContact CB-CG 3.71Å; F452-L473 HydrophobicContact CD1-CD1 4.48Å; F452-L473 HydrophobicContact CD1-CD2 4.14Å; F452-L473 HydrophobicContact CD1-CG 3.66Å; F452-L473 HydrophobicContact CG-CD1 4.28Å; F452-L473 HydrophobicContact CG-CD2 4.15Å; F452-L473 HydrophobicContact CG-CG 3.83Å; I454-L473 HydrophobicContact CD1-CD1 4.14Å; I454-L473 HydrophobicContact CG1-CD1 3.53Å; L473-G481 VanDerWaalsContact O-CA 3.31Å; L473-G481 WeakPolarHBondContact O-CA 3.48Å; L473-Y482 PolarHBondContact N-O 2.76Å; L473-Y482 PolarHBondContact O-N 2.94Å; L473-F484 HydrophobicContact CB-CD2 4.28Å; L473-F484 HydrophobicContact CB-CE2 3.87Å; L473-F484 HydrophobicContact CD2-CE2 4.01Å; L473-F484 HydrophobicContact CD2-CZ 4.5Å; L473-F499 HydrophobicContact CD1-CE1 4.38Å; L473-F499 HydrophobicContact CD2-CE1 4.23Å |
| 474 | L | 90.6 | Very high | 87 | Confident | 65 Ų | 65 | 57.3 Ų | 57.3 | 34% | 0.34 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.4 | -170.1 | -59.8 | 175.9 | 0 | 0 | 0 | 110.8 | F452 Q453 R455 L472 C476 | F452-L474 CarbonylContact C-O 3.6Å; F452-L474 VanDerWaalsContact CA-O 3.3Å; F452-L474 WeakPolarHBondContact CA-O 3.15Å; F452-L474 VanDerWaalsContact CD1-C 3.4Å; Q453-L474 PolarHBondContact N-O 3.41Å; Q453-L474 PolarHBondContact O-N 2.86Å; R455-L474 HydrophobicContact CB-CD1 4.15Å; L472-L474 HydrophobicContact CB-CD2 4.02Å; L472-L474 HydrophobicContact CB-CG 4.05Å; L472-L474 HydrophobicContact CD2-CD2 3.98Å; L474-C476 PolarHBondContact O-N 2.95Å |
| 475 | D | 87.1 | Confident | 88.1 | Confident | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.064 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 130.6 | 173 | 177.2 | 20.2 | 0 | 0 | 0 | 109.7 | H451 F452 F477 G478 R479 C480 | H451-D475 CarbonylContact O-C 3.19Å; H451-D475 WeakPolarHBondContact O-CA 3.43Å; F452-D475 HydrophobicContact CD1-CB 4.31Å; F452-D475 HydrophobicContact CE1-CB 3.96Å; F452-D475 HydrophobicContact CZ-CB 4.41Å; D475-F477 PolarHBondContact O-N 3.09Å; D475-F477 VanDerWaalsContact O-N 3.07Å; D475-F477 WeakPolarHBondContact OD1-CD2 3.42Å; D475-F477 PolarHBondContact OD1-N 2.81Å; D475-F477 VanDerWaalsContact OD1-N 3.15Å; D475-G478 WeakPolarHBondContact O-CA 3.43Å; D475-G478 PolarHBondContact O-N 3.48Å; D475-R479 WeakPolarHBondContact OD2-CB 3.36Å; D475-R479 WeakPolarHBondContact OD2-CG 3.47Å; D475-R479 IonicContact OD2-CZ 3.65Å; D475-R479 PolarHBondContact OD2-N 2.72Å; D475-R479 VanDerWaalsContact OD2-N 3.11Å; D475-R479 IonicContact OD2-NE 2.65Å; D475-R479 PolarHBondContact OD2-NE 2.96Å; D475-R479 IonicContact OD2-NH2 2.76Å; D475-C480 WeakPolarHBondContact CB-O 3.24Å; D475-C480 PolarHBondContact N-O 2.81Å |
| 476 | C | 82.3 | Confident | 88.6 | Confident | 65 Ų | 65 | 45 Ų | 45 | 44% | 0.439 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -25.7 | 175.2 | -66 | 0 | 0 | 0 | 0 | 112.3 | H451 L474 | H451-C476 VanDerWaalsContact C-SG 3.58Å; H451-C476 WeakPolarHBondContact O-CB 3.34Å; H451-C476 PolarHBondContact O-N 3.07Å; H451-C476 PolarHBondContact O-SG 3.48Å; L474-C476 PolarHBondContact O-N 2.95Å |
| 477 | F | 80.1 | Confident | 88.8 | Confident | 133 Ų | 133 | 42.1 Ų | 42.1 | 58% | 0.583 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 3 | 177.7 | -53.4 | -78.2 | 0 | 0 | 0 | 113.5 | H451 D475 R479 | H451-F477 HydrophobicContact CB-CD2 4.47Å; H451-F477 HydrophobicContact CB-CE2 4.22Å; H451-F477 AromaticContact CD2-CE2 3.83Å; D475-F477 PolarHBondContact O-N 3.09Å; D475-F477 VanDerWaalsContact O-N 3.07Å; D475-F477 WeakPolarHBondContact OD1-CD2 3.42Å; D475-F477 PolarHBondContact OD1-N 2.81Å; D475-F477 VanDerWaalsContact OD1-N 3.15Å; F477-R479 VanDerWaalsContact C-N 3.27Å; F477-R479 HydrophobicContact CB-CG 4.21Å; F477-R479 PolarHBondContact O-N 3.12Å |
| 478 | G | 74.4 | Confident | 88.6 | Confident | 67 Ų | 67 | 39.4 Ų | 39.4 | 69% | 0.691 | 21% | 0.212 | S | C | * | . | S | Bend | trans | 67.5 | 19 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D475 | D475-G478 WeakPolarHBondContact O-CA 3.43Å; D475-G478 PolarHBondContact O-N 3.48Å |
| 479 | R | 76.1 | Confident | 88.4 | Confident | 178 Ų | 178 | 44.4 Ų | 44.4 | 67% | 0.672 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -82.8 | -33.8 | -175.6 | -59.3 | 176.2 | -76 | -163 | -4.3 | 112.7 | D475 F477 | D475-R479 WeakPolarHBondContact OD2-CB 3.36Å; D475-R479 WeakPolarHBondContact OD2-CG 3.47Å; D475-R479 IonicContact OD2-CZ 3.65Å; D475-R479 PolarHBondContact OD2-N 2.72Å; D475-R479 VanDerWaalsContact OD2-N 3.11Å; D475-R479 IonicContact OD2-NE 2.65Å; D475-R479 PolarHBondContact OD2-NE 2.96Å; D475-R479 IonicContact OD2-NH2 2.76Å; F477-R479 VanDerWaalsContact C-N 3.27Å; F477-R479 HydrophobicContact CB-CG 4.21Å; F477-R479 PolarHBondContact O-N 3.12Å |
| 480 | C | 80.4 | Confident | 88.1 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 34% | 0.338 | 24% | 0.235 | S | C | . | . | trans | -148.2 | 160.1 | 178.7 | 59.1 | 0 | 0 | 0 | 0 | 111.3 | D475 | D475-C480 WeakPolarHBondContact CB-O 3.24Å; D475-C480 PolarHBondContact N-O 2.81Å | ||
| 481 | G | 88.6 | Confident | 87.9 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 152.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S413 L473 | S413-G481 PolarHBondContact N-O 3.38Å; S413-G481 PolarHBondContact OG-N 3.06Å; S413-G481 VanDerWaalsContact OG-N 3.09Å; S413-G481 PolarHBondContact OG-O 3.29Å; L473-G481 VanDerWaalsContact O-CA 3.31Å; L473-G481 WeakPolarHBondContact O-CA 3.48Å |
| 482 | Y | 93.7 | Very high | 87.7 | Confident | 31 Ų | 31 | 46.4 Ų | 46.4 | 12% | 0.122 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.8 | -179.9 | -60.8 | -92.4 | 0 | 0 | 0 | 110.5 | I410 C411 D445 I447 F452 L472 L473 | I410-Y482 HydrophobicContact CD1-CD1 3.72Å; I410-Y482 HydrophobicContact CD1-CG 4.31Å; I410-Y482 HydrophobicContact CG1-CD1 4.24Å; C411-Y482 VanDerWaalsContact O-CA 3.32Å; C411-Y482 WeakPolarHBondContact O-CA 3.47Å; D445-Y482 PolarHBondContact OD2-OH 3.36Å; I447-Y482 HydrophobicContact CD1-CD1 3.79Å; I447-Y482 HydrophobicContact CD1-CD2 3.95Å; I447-Y482 HydrophobicContact CD1-CE1 3.66Å; I447-Y482 HydrophobicContact CD1-CE2 3.86Å; I447-Y482 HydrophobicContact CD1-CG 3.9Å; I447-Y482 HydrophobicContact CG1-CE1 4.18Å; I447-Y482 HydrophobicContact CG1-CE2 4.01Å; I447-Y482 HydrophobicContact CG2-CD2 4.27Å; I447-Y482 HydrophobicContact CG2-CE2 3.94Å; F452-Y482 HydrophobicContact CE1-CD2 4.06Å; F452-Y482 HydrophobicContact CE1-CE2 4.08Å; F452-Y482 HydrophobicContact CZ-CD2 4.42Å; F452-Y482 HydrophobicContact CZ-CE2 4Å; L472-Y482 WeakPolarHBondContact CA-O 3.43Å; L473-Y482 PolarHBondContact N-O 2.76Å; L473-Y482 PolarHBondContact O-N 2.94Å |
| 483 | D | 93.5 | Very high | 87.6 | Confident | 48 Ų | 48 | 51 Ų | 51 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.1 | 174.8 | -58.9 | -17.5 | 0 | 0 | 0 | 108 | I410 C411 M470 L472 F485 | I410-D483 VanDerWaalsContact CA-O 3.3Å; I410-D483 WeakPolarHBondContact CA-O 3.38Å; C411-D483 HydrophobicContact CB-CB 4.08Å; C411-D483 PolarHBondContact N-O 3.47Å; C411-D483 PolarHBondContact O-N 3.37Å; M470-D483 HydrophobicContact CE-CB 3.65Å; L472-D483 VanDerWaalsContact CD2-OD1 3.24Å; L472-D483 WeakPolarHBondContact CD2-OD1 3.22Å; L472-D483 WeakPolarHBondContact CG-OD1 3.27Å; D483-F485 HydrophobicContact CB-CD2 4.34Å; D483-F485 HydrophobicContact CB-CE2 3.49Å; D483-F485 VanDerWaalsContact CB-CE2 3.49Å; D483-F485 HydrophobicContact CB-CZ 3.86Å |
| 484 | F | 95.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.2 | 177.9 | -73.4 | -97.2 | 0 | 0 | 0 | 109.8 | L408 I410 I432 I447 M470 F471 L473 F486 F499 | L408-F484 HydrophobicContact CD1-CD1 3.96Å; L408-F484 HydrophobicContact CD1-CE1 4.28Å; L408-F484 HydrophobicContact CD2-CD1 3.74Å; L408-F484 HydrophobicContact CD2-CE1 4.06Å; L408-F484 HydrophobicContact CG-CD1 4.49Å; I410-F484 HydrophobicContact CD1-CD1 4.34Å; I410-F484 HydrophobicContact CD1-CE1 3.77Å; I410-F484 HydrophobicContact CD1-CE2 4.18Å; I410-F484 HydrophobicContact CD1-CZ 3.68Å; I410-F484 HydrophobicContact CG1-CE1 4.45Å; I432-F484 HydrophobicContact CD1-CE1 4.18Å; I447-F484 HydrophobicContact CD1-CZ 4.14Å; M470-F484 WeakPolarHBondContact CA-O 3.29Å; M470-F484 WeakPolarHBondContact CB-O 3.46Å; F471-F484 HydrophobicContact CD2-CB 4.36Å; F471-F484 HydrophobicContact CE1-CB 4.46Å; F471-F484 HydrophobicContact CE2-CB 3.97Å; F471-F484 AromaticContact CE2-CD2 3.94Å; F471-F484 HydrophobicContact CE2-CD2 3.94Å; F471-F484 HydrophobicContact CE2-CG 4.06Å; F471-F484 HydrophobicContact CZ-CB 4.01Å; F471-F484 HydrophobicContact CZ-CG 4.26Å; F471-F484 PolarHBondContact N-O 3.1Å; F471-F484 PolarHBondContact O-N 2.8Å; L473-F484 HydrophobicContact CB-CD2 4.28Å; L473-F484 HydrophobicContact CB-CE2 3.87Å; L473-F484 HydrophobicContact CD2-CE2 4.01Å; L473-F484 HydrophobicContact CD2-CZ 4.5Å; F484-F486 HydrophobicContact CB-CE2 3.74Å; F484-F486 HydrophobicContact CB-CZ 3.75Å; F484-F499 HydrophobicContact CE1-CZ 4.19Å; F484-F499 HydrophobicContact CE2-CZ 4.37Å; F484-F499 HydrophobicContact CZ-CZ 4.03Å |
| 485 | F | 94.2 | Very high | 87.6 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 7% | 0.07 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.5 | -179 | -59 | -94.8 | 0 | 0 | 0 | 111.1 | K409 C411 K418 Y469 M470 D483 | K409-F485 HydrophobicContact CB-CB 3.91Å; K409-F485 PolarHBondContact N-O 3.4Å; K409-F485 PolarHBondContact O-N 3.04Å; C411-F485 HydrophobicContact CB-CE2 4.24Å; K418-F485 HydrophobicContact CD-CD1 4.44Å; K418-F485 HydrophobicContact CD-CD2 4.4Å; K418-F485 HydrophobicContact CD-CG 4.38Å; K418-F485 VanDerWaalsContact CE-CE1 3.41Å; K418-F485 HydrophobicContact CG-CD2 4.25Å; K418-F485 HydrophobicContact CG-CE2 4.13Å; K418-F485 HydrophobicContact CG-CZ 4.5Å; Y469-F485 CarbonylContact O-C 3.59Å; Y469-F485 VanDerWaalsContact O-CA 3.32Å; Y469-F485 WeakPolarHBondContact O-CA 3.3Å; M470-F485 HydrophobicContact CB-CD1 3.7Å; M470-F485 HydrophobicContact CB-CE1 3.95Å; M470-F485 HydrophobicContact CB-CG 4.24Å; M470-F485 HydrophobicContact CE-CE1 4.01Å; M470-F485 HydrophobicContact CE-CZ 3.88Å; M470-F485 HydrophobicContact CG-CD1 4.35Å; M470-F485 HydrophobicContact CG-CE1 4.17Å; M470-F485 HydrophobicContact SD-CD1 4.09Å; M470-F485 HydrophobicContact SD-CE1 3.33Å; M470-F485 WeakPolarHBondContact SD-CE1 3.49Å; M470-F485 HydrophobicContact SD-CZ 3.8Å; D483-F485 HydrophobicContact CB-CD2 4.34Å; D483-F485 HydrophobicContact CB-CE2 3.49Å; D483-F485 VanDerWaalsContact CB-CE2 3.49Å; D483-F485 HydrophobicContact CB-CZ 3.86Å |
| 486 | F | 92.9 | Very high | 87.9 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 151.6 | -174.6 | -55.5 | -82.9 | 0 | 0 | 0 | 111.8 | L408 W467 Y469 F471 F484 L491 K492 W495 | L408-F486 HydrophobicContact CB-CD1 4.38Å; L408-F486 HydrophobicContact CB-CE1 4.16Å; L408-F486 HydrophobicContact CD2-CE1 4.2Å; W467-F486 WeakPolarHBondContact CA-O 3.35Å; W467-F486 PolarHBondContact N-O 3.46Å; Y469-F486 PolarHBondContact O-N 2.79Å; F471-F486 AromaticContact CD1-CE2 3.6Å; F471-F486 HydrophobicContact CD1-CE2 3.6Å; F471-F486 HydrophobicContact CD1-CZ 4.23Å; F471-F486 HydrophobicContact CE1-CD2 4.37Å; F471-F486 AromaticContact CE1-CE2 3.21Å; F471-F486 HydrophobicContact CE1-CE2 3.21Å; F471-F486 AromaticContact CE1-CZ 3.38Å; F471-F486 HydrophobicContact CE1-CZ 3.38Å; F471-F486 AromaticContact CZ-CE2 3.93Å; F471-F486 HydrophobicContact CZ-CE2 3.93Å; F471-F486 AromaticContact CZ-CZ 3.75Å; F471-F486 HydrophobicContact CZ-CZ 3.75Å; F484-F486 HydrophobicContact CB-CE2 3.74Å; F484-F486 HydrophobicContact CB-CZ 3.75Å; F486-L491 HydrophobicContact CB-CB 4.15Å; F486-K492 HydrophobicContact CB-CB 4.04Å; F486-K492 HydrophobicContact CD2-CB 3.67Å; F486-K492 HydrophobicContact CD2-CG 3.99Å; F486-K492 HydrophobicContact CE2-CB 4.49Å; F486-K492 HydrophobicContact CE2-CG 4.47Å; F486-K492 HydrophobicContact CG-CB 4.05Å; F486-W495 HydrophobicContact CD1-CB 4.35Å; F486-W495 AromaticContact CD1-CD1 3.76Å; F486-W495 HydrophobicContact CD1-CG 4Å; F486-W495 HydrophobicContact CE1-CB 3.57Å; F486-W495 AromaticContact CE1-CD1 3.46Å; F486-W495 VanDerWaalsContact CE1-CD1 3.46Å; F486-W495 AromaticContact CE1-CD2 3.68Å; F486-W495 HydrophobicContact CE1-CD2 3.68Å; F486-W495 HydrophobicContact CE1-CE3 4.42Å; F486-W495 AromaticContact CE1-CG 3.26Å; F486-W495 HydrophobicContact CE1-CG 3.26Å; F486-W495 AromaticContact CE1-NE1 3.92Å; F486-W495 HydrophobicContact CE2-CB 4.44Å; F486-W495 HydrophobicContact CZ-CB 3.61Å; F486-W495 HydrophobicContact CZ-CD2 4.27Å; F486-W495 AromaticContact CZ-CG 3.81Å; F486-W495 HydrophobicContact CZ-CG 3.81Å |
| 487 | K | 89.6 | Confident | 88.4 | Confident | 41 Ų | 41 | 51.1 Ų | 51.1 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -64.1 | -46.4 | -177.3 | -173.6 | -169 | 176 | -155.9 | 0 | 111.4 | S145 K466 W467 L491 | S145-K487 PolarHBondContact O-NZ 3.23Å; S145-K487 PolarHBondContact OG-NZ 2.79Å; K466-K487 WeakPolarHBondContact CA-O 3.31Å; W467-K487 HydrophobicContact CD2-CB 4.29Å; W467-K487 HydrophobicContact CE3-CB 4.5Å; W467-K487 HydrophobicContact CH2-CB 4.29Å; W467-K487 HydrophobicContact CZ2-CB 4.06Å; W467-K487 HydrophobicContact CZ2-CG 4.43Å; W467-K487 HydrophobicContact CZ3-CB 4.49Å; W467-K487 PolarHBondContact N-O 3.01Å; K487-L491 HydrophobicContact CB-CD1 4.11Å |
| 488 | T | 87 | Confident | 89.1 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 6% | 0.055 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -121.5 | 165.4 | -177.7 | 62.1 | 0 | 0 | 0 | 0 | 111 | E490 L491 K492 | T488-E490 PolarHBondContact O-N 2.77Å; T488-L491 WeakPolarHBondContact OG1-CB 3.19Å; T488-L491 VanDerWaalsContact OG1-CG 3.3Å; T488-L491 WeakPolarHBondContact OG1-CG 3.5Å; T488-L491 PolarHBondContact OG1-N 3.2Å; T488-K492 PolarHBondContact O-N 3.47Å |
| 489 | R | 85.9 | Confident | 90.1 | Very high | 127 Ų | 127 | 43.4 Ų | 43.4 | 48% | 0.479 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69 | -30.8 | 179.4 | -177.1 | -174.2 | -167.6 | -164.8 | 4.9 | 110.8 | E461 Y469 K492 K493 | E461-R489 IonicContact OE2-CZ 2.79Å; E461-R489 IonicContact OE2-NE 3.2Å; E461-R489 PolarHBondContact OE2-NE 3.07Å; E461-R489 VanDerWaalsContact OE2-NE 3.14Å; E461-R489 IonicContact OE2-NH2 2.83Å; E461-R489 PolarHBondContact OE2-NH2 3.14Å; Y469-R489 HydrophobicContact CD1-CB 3.87Å; Y469-R489 HydrophobicContact CD1-CG 4.29Å; Y469-R489 HydrophobicContact CE1-CB 3.74Å; Y469-R489 HydrophobicContact CE1-CG 4.34Å; Y469-R489 HydrophobicContact CG-CB 4.32Å; R489-K492 WeakPolarHBondContact O-CB 3.36Å; R489-K492 PolarHBondContact O-N 3.44Å; R489-K493 PolarHBondContact O-N 3.35Å |
| 490 | E | 83.6 | Confident | 90.9 | Very high | 53 Ų | 53 | 40 Ų | 40 | 25% | 0.248 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -79.2 | -37.8 | -173.9 | -66.2 | 77.8 | -157.9 | 0 | 0 | 110.3 | D149 T488 K493 K494 | D149-E490 HydrophobicContact CB-CB 4.26Å; D149-E490 WeakPolarHBondContact O-CB 3.5Å; T488-E490 PolarHBondContact O-N 2.77Å; E490-K493 PolarHBondContact O-N 3.44Å; E490-K494 WeakPolarHBondContact O-CB 3.44Å; E490-K494 WeakPolarHBondContact O-CG 2.76Å; E490-K494 PolarHBondContact O-N 2.77Å |
| 491 | L | 88.3 | Confident | 91.5 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 19% | 0.194 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 166 | -73.7 | 174.2 | 0 | 0 | 0 | 111.5 | D149 F486 K487 T488 K493 K494 W495 | D149-L491 HydrophobicContact CB-CG 4.35Å; D149-L491 WeakPolarHBondContact OD2-CD1 3.49Å; F486-L491 HydrophobicContact CB-CB 4.15Å; K487-L491 HydrophobicContact CB-CD1 4.11Å; T488-L491 WeakPolarHBondContact OG1-CB 3.19Å; T488-L491 VanDerWaalsContact OG1-CG 3.3Å; T488-L491 WeakPolarHBondContact OG1-CG 3.5Å; T488-L491 PolarHBondContact OG1-N 3.2Å; L491-K493 VanDerWaalsContact C-N 3.33Å; L491-K493 PolarHBondContact O-N 2.95Å; L491-K494 PolarHBondContact O-N 2.77Å; L491-W495 WeakPolarHBondContact O-CB 3.42Å; L491-W495 VanDerWaalsContact O-CD1 3.23Å; L491-W495 PolarHBondContact O-N 2.62Å |
| 492 | K | 92 | Very high | 91.8 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.1 | -49.9 | 174.1 | 173.9 | -162.1 | 163.6 | -174.6 | 0 | 110.4 | D456 E457 E461 M470 F471 F486 T488 R489 W495 L496 | D456-K492 WeakPolarHBondContact OD1-CE 3.27Å; D456-K492 IonicContact OD1-NZ 3.53Å; D456-K492 PolarHBondContact OD1-NZ 3.24Å; D456-K492 IonicContact OD2-NZ 2.73Å; E457-K492 PolarHBondContact O-NZ 2.86Å; E461-K492 IonicContact OE1-NZ 3.97Å; E461-K492 PolarHBondContact OE1-NZ 3.03Å; M470-K492 WeakPolarHBondContact O-CE 3.37Å; M470-K492 PolarHBondContact O-NZ 3.2Å; F471-K492 HydrophobicContact CD1-CG 4.3Å; F486-K492 HydrophobicContact CB-CB 4.04Å; F486-K492 HydrophobicContact CD2-CB 3.67Å; F486-K492 HydrophobicContact CD2-CG 3.99Å; F486-K492 HydrophobicContact CE2-CB 4.49Å; F486-K492 HydrophobicContact CE2-CG 4.47Å; F486-K492 HydrophobicContact CG-CB 4.05Å; T488-K492 PolarHBondContact O-N 3.47Å; R489-K492 WeakPolarHBondContact O-CB 3.36Å; R489-K492 PolarHBondContact O-N 3.44Å; K492-W495 PolarHBondContact O-N 2.69Å; K492-L496 VanDerWaalsContact O-CB 3.23Å; K492-L496 WeakPolarHBondContact O-CB 3.48Å; K492-L496 PolarHBondContact O-N 2.76Å |
| 493 | K | 90.3 | Very high | 91.6 | Very high | 125 Ų | 125 | 42 Ų | 42 | 54% | 0.543 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.9 | -50.6 | 179.9 | -177.9 | -177.2 | 169 | -169.9 | 0 | 111.6 | R489 E490 L491 W495 L496 E497 | R489-K493 PolarHBondContact O-N 3.35Å; E490-K493 PolarHBondContact O-N 3.44Å; L491-K493 VanDerWaalsContact C-N 3.33Å; L491-K493 PolarHBondContact O-N 2.95Å; K493-W495 PolarHBondContact O-N 2.83Å; K493-L496 WeakPolarHBondContact O-CB 3.39Å; K493-L496 PolarHBondContact O-N 2.78Å; K493-E497 WeakPolarHBondContact CE-OE1 3.48Å; K493-E497 IonicContact NZ-OE1 3.64Å; K493-E497 WeakPolarHBondContact O-CG 3.41Å; K493-E497 PolarHBondContact O-N 2.95Å |
| 494 | K | 88.6 | Confident | 91.5 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.1 | -49.7 | 178.1 | -74.6 | -178.5 | 178.9 | -170.3 | 0 | 112.3 | I404 E490 L491 L496 E497 Q498 | I404-K494 HydrophobicContact CD1-CB 4.38Å; E490-K494 WeakPolarHBondContact O-CB 3.44Å; E490-K494 WeakPolarHBondContact O-CG 2.76Å; E490-K494 PolarHBondContact O-N 2.77Å; L491-K494 PolarHBondContact O-N 2.77Å; K494-L496 VanDerWaalsContact C-N 3.33Å; K494-L496 PolarHBondContact O-N 3.17Å; K494-E497 PolarHBondContact O-N 3.45Å; K494-Q498 VanDerWaalsContact O-CG 3.27Å; K494-Q498 WeakPolarHBondContact O-CG 3.25Å; K494-Q498 PolarHBondContact O-N 2.93Å |
| 495 | W | 94.6 | Very high | 91.4 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 2% | 0.023 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 177.8 | -84.9 | 85.4 | 0 | 0 | 0 | 111.3 | I404 L408 A423 L425 F471 F486 L491 K492 K493 E497 Q498 F499 | I404-W495 HydrophobicContact CD1-CD2 4.27Å; I404-W495 HydrophobicContact CD1-CG 4.17Å; I404-W495 HydrophobicContact CG1-CZ2 4.3Å; I404-W495 HydrophobicContact CG2-CD2 3.8Å; I404-W495 HydrophobicContact CG2-CE3 3.61Å; I404-W495 HydrophobicContact CG2-CG 4.47Å; I404-W495 HydrophobicContact CG2-CH2 4.09Å; I404-W495 HydrophobicContact CG2-CZ2 4.25Å; I404-W495 HydrophobicContact CG2-CZ3 3.79Å; L408-W495 HydrophobicContact CD2-CE3 4.35Å; L408-W495 HydrophobicContact CD2-CH2 3.86Å; L408-W495 HydrophobicContact CD2-CZ2 4.06Å; L408-W495 HydrophobicContact CD2-CZ3 3.99Å; A423-W495 HydrophobicContact CB-CH2 3.65Å; A423-W495 HydrophobicContact CB-CZ3 4.11Å; L425-W495 HydrophobicContact CB-CZ3 3.97Å; F471-W495 HydrophobicContact CE1-CB 4.12Å; F486-W495 HydrophobicContact CD1-CB 4.35Å; F486-W495 AromaticContact CD1-CD1 3.76Å; F486-W495 HydrophobicContact CD1-CG 4Å; F486-W495 HydrophobicContact CE1-CB 3.57Å; F486-W495 AromaticContact CE1-CD1 3.46Å; F486-W495 VanDerWaalsContact CE1-CD1 3.46Å; F486-W495 AromaticContact CE1-CD2 3.68Å; F486-W495 HydrophobicContact CE1-CD2 3.68Å; F486-W495 HydrophobicContact CE1-CE3 4.42Å; F486-W495 AromaticContact CE1-CG 3.26Å; F486-W495 HydrophobicContact CE1-CG 3.26Å; F486-W495 AromaticContact CE1-NE1 3.92Å; F486-W495 HydrophobicContact CE2-CB 4.44Å; F486-W495 HydrophobicContact CZ-CB 3.61Å; F486-W495 HydrophobicContact CZ-CD2 4.27Å; F486-W495 AromaticContact CZ-CG 3.81Å; F486-W495 HydrophobicContact CZ-CG 3.81Å; L491-W495 WeakPolarHBondContact O-CB 3.42Å; L491-W495 VanDerWaalsContact O-CD1 3.23Å; L491-W495 PolarHBondContact O-N 2.62Å; K492-W495 PolarHBondContact O-N 2.69Å; K493-W495 PolarHBondContact O-N 2.83Å; W495-E497 PolarHBondContact O-N 3Å; W495-Q498 PolarHBondContact O-N 3.12Å; W495-F499 HydrophobicContact CE3-CD2 4.18Å; W495-F499 AromaticContact CE3-CE2 3.68Å; W495-F499 HydrophobicContact CE3-CE2 3.68Å; W495-F499 HydrophobicContact CZ3-CE2 4.17Å; W495-F499 VanDerWaalsContact O-CD2 3.29Å; W495-F499 WeakPolarHBondContact O-CD2 3.4Å; W495-F499 PolarHBondContact O-N 3.44Å |
| 496 | L | 94.3 | Very high | 91.1 | Very high | 18 Ų | 18 | 43.8 Ų | 43.8 | 9% | 0.094 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.9 | -49.7 | 178.5 | -177.2 | 62 | 0 | 0 | 0 | 111.9 | I454 D456 F471 K492 K493 K494 Q498 F499 E500 | I454-L496 HydrophobicContact CG2-CD1 3.46Å; I454-L496 VanDerWaalsContact CG2-CD1 3.46Å; D456-L496 HydrophobicContact CB-CD2 4.15Å; F471-L496 HydrophobicContact CB-CD1 4.34Å; F471-L496 HydrophobicContact CD1-CB 4.15Å; F471-L496 HydrophobicContact CD1-CD1 4.04Å; F471-L496 HydrophobicContact CE1-CB 4.21Å; F471-L496 HydrophobicContact CE1-CD1 4.49Å; F471-L496 HydrophobicContact CG-CD1 4.09Å; K492-L496 VanDerWaalsContact O-CB 3.23Å; K492-L496 WeakPolarHBondContact O-CB 3.48Å; K492-L496 PolarHBondContact O-N 2.76Å; K493-L496 WeakPolarHBondContact O-CB 3.39Å; K493-L496 PolarHBondContact O-N 2.78Å; K494-L496 VanDerWaalsContact C-N 3.33Å; K494-L496 PolarHBondContact O-N 3.17Å; L496-Q498 VanDerWaalsContact C-N 3.33Å; L496-Q498 PolarHBondContact O-N 3.24Å; L496-F499 PolarHBondContact O-N 3.04Å; L496-E500 WeakPolarHBondContact O-CG 3.41Å; L496-E500 PolarHBondContact O-N 2.89Å |
| 497 | E | 93.6 | Very high | 90.7 | Very high | 80 Ų | 80 | 48.1 Ų | 48.1 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58 | -43.5 | 176.4 | -72.3 | 168.5 | 174.5 | 0 | 0 | 111.8 | K493 K494 W495 F499 E500 M501 | K493-E497 WeakPolarHBondContact CE-OE1 3.48Å; K493-E497 IonicContact NZ-OE1 3.64Å; K493-E497 WeakPolarHBondContact O-CG 3.41Å; K493-E497 PolarHBondContact O-N 2.95Å; K494-E497 PolarHBondContact O-N 3.45Å; W495-E497 PolarHBondContact O-N 3Å; E497-F499 PolarHBondContact O-N 3.45Å; E497-E500 PolarHBondContact O-N 3.49Å; E497-M501 VanDerWaalsContact O-CG 3.3Å; E497-M501 WeakPolarHBondContact O-CG 3.35Å; E497-M501 PolarHBondContact O-N 3.07Å |
| 498 | Q | 94.5 | Very high | 90.7 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.7 | -36 | 179.3 | -69.4 | -53.9 | -42.3 | 0 | 0 | 113.1 | K403 I404 L425 K494 W495 L496 M501 A502 | K403-Q498 HydrophobicContact CB-CB 4.13Å; I404-Q498 HydrophobicContact CB-CB 4.4Å; I404-Q498 HydrophobicContact CB-CG 4.12Å; I404-Q498 HydrophobicContact CG2-CB 3.83Å; I404-Q498 HydrophobicContact CG2-CG 4.09Å; L425-Q498 HydrophobicContact CD2-CB 3.84Å; K494-Q498 VanDerWaalsContact O-CG 3.27Å; K494-Q498 WeakPolarHBondContact O-CG 3.25Å; K494-Q498 PolarHBondContact O-N 2.93Å; W495-Q498 PolarHBondContact O-N 3.12Å; L496-Q498 VanDerWaalsContact C-N 3.33Å; L496-Q498 PolarHBondContact O-N 3.24Å; Q498-M501 PolarHBondContact O-N 3.2Å; Q498-A502 WeakPolarHBondContact O-CB 3.45Å; Q498-A502 PolarHBondContact O-N 3.43Å |
| 499 | F | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67 | -41.7 | 171.9 | -95.3 | -87.3 | 0 | 0 | 0 | 112 | L425 V430 L449 I454 F471 L473 F484 W495 L496 E497 M501 A502 M503 | L425-F499 HydrophobicContact CD1-CD1 3.9Å; L425-F499 HydrophobicContact CD1-CD2 4.33Å; L425-F499 HydrophobicContact CD1-CE1 3.85Å; L425-F499 HydrophobicContact CD1-CE2 4.26Å; L425-F499 HydrophobicContact CD1-CG 4.17Å; L425-F499 HydrophobicContact CD1-CZ 4.03Å; L425-F499 HydrophobicContact CD2-CB 4.34Å; L425-F499 HydrophobicContact CD2-CD1 4.42Å; L425-F499 HydrophobicContact CD2-CD2 3.7Å; L425-F499 HydrophobicContact CD2-CE2 4.14Å; L425-F499 HydrophobicContact CD2-CG 3.86Å; V430-F499 HydrophobicContact CG1-CZ 4.36Å; V430-F499 HydrophobicContact CG2-CE1 3.46Å; V430-F499 VanDerWaalsContact CG2-CE1 3.46Å; V430-F499 HydrophobicContact CG2-CZ 3.55Å; L449-F499 HydrophobicContact CD1-CD1 4.47Å; L449-F499 HydrophobicContact CD2-CD1 4.16Å; L449-F499 HydrophobicContact CD2-CE1 3.84Å; I454-F499 HydrophobicContact CD1-CB 3.27Å; I454-F499 HydrophobicContact CD1-CD1 3.62Å; I454-F499 HydrophobicContact CD1-CG 3.64Å; F471-F499 HydrophobicContact CE2-CD2 4.12Å; F471-F499 HydrophobicContact CE2-CE2 4.06Å; F471-F499 HydrophobicContact CE2-CZ 4.38Å; F471-F499 AromaticContact CZ-CD2 3.57Å; F471-F499 HydrophobicContact CZ-CD2 3.57Å; F471-F499 AromaticContact CZ-CE2 3.58Å; F471-F499 HydrophobicContact CZ-CE2 3.58Å; F471-F499 HydrophobicContact CZ-CG 4.33Å; F471-F499 HydrophobicContact CZ-CZ 4.32Å; L473-F499 HydrophobicContact CD1-CE1 4.38Å; L473-F499 HydrophobicContact CD2-CE1 4.23Å; F484-F499 HydrophobicContact CE1-CZ 4.19Å; F484-F499 HydrophobicContact CE2-CZ 4.37Å; F484-F499 HydrophobicContact CZ-CZ 4.03Å; W495-F499 HydrophobicContact CE3-CD2 4.18Å; W495-F499 AromaticContact CE3-CE2 3.68Å; W495-F499 HydrophobicContact CE3-CE2 3.68Å; W495-F499 HydrophobicContact CZ3-CE2 4.17Å; W495-F499 VanDerWaalsContact O-CD2 3.29Å; W495-F499 WeakPolarHBondContact O-CD2 3.4Å; W495-F499 PolarHBondContact O-N 3.44Å; L496-F499 PolarHBondContact O-N 3.04Å; E497-F499 PolarHBondContact O-N 3.45Å; F499-M501 VanDerWaalsContact C-N 3.32Å; F499-M501 PolarHBondContact O-N 3.14Å; F499-A502 WeakPolarHBondContact O-CB 3.29Å; F499-A502 PolarHBondContact O-N 3.42Å; F499-M503 WeakPolarHBondContact O-CE 3.28Å; F499-M503 WeakPolarHBondContact O-CG 3.5Å; F499-M503 PolarHBondContact O-N 2.94Å |
| 500 | E | 93.2 | Very high | 90.7 | Very high | 107 Ų | 107 | 52 Ų | 52 | 50% | 0.5 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 174.5 | -72.9 | 177.4 | 171.2 | 0 | 0 | 111.2 | L496 E497 M503 S504 | L496-E500 WeakPolarHBondContact O-CG 3.41Å; L496-E500 PolarHBondContact O-N 2.89Å; E497-E500 PolarHBondContact O-N 3.49Å; E500-M503 PolarHBondContact O-N 3.45Å; E500-S504 WeakPolarHBondContact O-CB 3.37Å; E500-S504 PolarHBondContact O-N 3.35Å |
| 501 | M | 92.6 | Very high | 90.9 | Very high | 93 Ų | 93 | 50.7 Ų | 50.7 | 46% | 0.458 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 173.3 | -73.1 | 172.3 | 67.4 | 0 | 0 | 112.3 | E497 Q498 F499 S504 N505 | E497-M501 VanDerWaalsContact O-CG 3.3Å; E497-M501 WeakPolarHBondContact O-CG 3.35Å; E497-M501 PolarHBondContact O-N 3.07Å; Q498-M501 PolarHBondContact O-N 3.2Å; F499-M501 VanDerWaalsContact C-N 3.32Å; F499-M501 PolarHBondContact O-N 3.14Å; M501-S504 PolarHBondContact O-N 3Å; M501-N505 PolarHBondContact O-N 2.66Å |
| 502 | A | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.4 | -51.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K403 L449 Q498 F499 S504 N505 M506 | K403-A502 HydrophobicContact CG-CB 4.3Å; L449-A502 HydrophobicContact CD1-CB 4.1Å; Q498-A502 WeakPolarHBondContact O-CB 3.45Å; Q498-A502 PolarHBondContact O-N 3.43Å; F499-A502 WeakPolarHBondContact O-CB 3.29Å; F499-A502 PolarHBondContact O-N 3.42Å; A502-S504 VanDerWaalsContact C-N 3.34Å; A502-S504 PolarHBondContact O-N 2.97Å; A502-N505 WeakPolarHBondContact O-CB 3.28Å; A502-N505 PolarHBondContact O-N 3Å; A502-M506 WeakPolarHBondContact O-CG 3.47Å; A502-M506 PolarHBondContact O-N 3.46Å |
| 503 | M | 90.6 | Very high | 90.6 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 19% | 0.192 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 178.3 | -69.2 | -174.8 | -70 | 0 | 0 | 112.6 | I454 F499 E500 N505 M506 C507 | I454-M503 HydrophobicContact CB-CE 3.85Å; I454-M503 HydrophobicContact CD1-CE 3.19Å; I454-M503 HydrophobicContact CD1-SD 4.24Å; I454-M503 HydrophobicContact CG1-CE 3.37Å; I454-M503 HydrophobicContact CG1-SD 4.03Å; F499-M503 WeakPolarHBondContact O-CE 3.28Å; F499-M503 WeakPolarHBondContact O-CG 3.5Å; F499-M503 PolarHBondContact O-N 2.94Å; E500-M503 PolarHBondContact O-N 3.45Å; M503-N505 VanDerWaalsContact C-N 3.29Å; M503-N505 PolarHBondContact O-N 3.49Å; M503-M506 PolarHBondContact O-N 3.28Å; M503-C507 PolarHBondContact O-N 3.23Å |
| 504 | S | 91.7 | Very high | 90.5 | Very high | 50 Ų | 50 | 52 Ų | 52 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.5 | -32.6 | 172.4 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | E500 M501 A502 C507 P508 K555 | E500-S504 WeakPolarHBondContact O-CB 3.37Å; E500-S504 PolarHBondContact O-N 3.35Å; M501-S504 PolarHBondContact O-N 3Å; A502-S504 VanDerWaalsContact C-N 3.34Å; A502-S504 PolarHBondContact O-N 2.97Å; S504-C507 CarbonylContact O-C 3.56Å; S504-P508 WeakPolarHBondContact O-CA 3.41Å; S504-P508 VanDerWaalsContact O-N 3.09Å; S504-K555 WeakPolarHBondContact O-CE 3.32Å; S504-K555 PolarHBondContact O-NZ 3.27Å; S504-K555 PolarHBondContact OG-NZ 3.45Å |
| 505 | N | 92 | Very high | 90.6 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -73.7 | -35.3 | 173.8 | -73.8 | -17.2 | 0 | 0 | 0 | 111.9 | K403 D427 M501 A502 M503 M520 Y544 K555 | K403-N505 PolarHBondContact NZ-ND2 3.21Å; K403-N505 VanDerWaalsContact NZ-ND2 3.14Å; D427-N505 PolarHBondContact OD1-ND2 2.88Å; M501-N505 PolarHBondContact O-N 2.66Å; A502-N505 WeakPolarHBondContact O-CB 3.28Å; A502-N505 PolarHBondContact O-N 3Å; M503-N505 VanDerWaalsContact C-N 3.29Å; M503-N505 PolarHBondContact O-N 3.49Å; N505-M520 HydrophobicContact CB-CE 4.24Å; N505-M520 HydrophobicContact CB-SD 3.99Å; N505-M520 WeakPolarHBondContact O-CG 3.39Å; N505-M520 VanDerWaalsContact O-SD 3.33Å; N505-Y544 WeakPolarHBondContact CA-OH 3.46Å; N505-Y544 WeakPolarHBondContact O-CE1 3.5Å; N505-Y544 PolarHBondContact O-OH 2.93Å; N505-K555 PolarHBondContact OD1-NZ 3.48Å |
| 506 | M | 88.3 | Confident | 90.2 | Very high | 21 Ų | 21 | 55.4 Ų | 55.4 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.7 | -42.8 | 176.1 | -62.4 | 175.2 | 69 | 0 | 0 | 112.1 | D427 K428 L449 H450 A502 M503 P508 M520 | D427-M506 VanDerWaalsContact O-CG 3.24Å; D427-M506 WeakPolarHBondContact O-CG 3.33Å; K428-M506 HydrophobicContact CB-CE 4.45Å; K428-M506 HydrophobicContact CG-CE 4.46Å; K428-M506 HydrophobicContact CG-CG 4.31Å; L449-M506 HydrophobicContact CB-CE 4.21Å; L449-M506 HydrophobicContact CB-SD 3.61Å; H450-M506 HydrophobicContact CB-CE 3.79Å; H450-M506 WeakPolarHBondContact CD2-CE 3.32Å; H450-M506 WeakPolarHBondContact ND1-CE 3.46Å; H450-M506 VanDerWaalsContact NE2-CE 3.34Å; H450-M506 WeakPolarHBondContact NE2-CE 3.48Å; A502-M506 WeakPolarHBondContact O-CG 3.47Å; A502-M506 PolarHBondContact O-N 3.46Å; M503-M506 PolarHBondContact O-N 3.28Å; M506-P508 WeakPolarHBondContact O-CD 3.31Å; M506-M520 HydrophobicContact CG-SD 4.46Å |
| 507 | C | 85.3 | Confident | 90 | Very high | 93 Ų | 93 | 56.7 Ų | 56.7 | 63% | 0.628 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -125.9 | 71 | -176 | -68.6 | 0 | 0 | 0 | 0 | 109.9 | M503 S504 | M503-C507 PolarHBondContact O-N 3.23Å; S504-C507 CarbonylContact O-C 3.56Å |
| 508 | P | 89.1 | Confident | 89.9 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.019 | 29% | 0.289 | C | S | . | . | trans | -66.7 | 157.2 | -179 | 30.4 | -38.5 | 0 | 0 | 0 | 111.5 | S504 M506 N510 S511 Y544 K555 L558 | S504-P508 WeakPolarHBondContact O-CA 3.41Å; S504-P508 VanDerWaalsContact O-N 3.09Å; M506-P508 WeakPolarHBondContact O-CD 3.31Å; P508-N510 PolarHBondContact O-N 2.89Å; P508-S511 VanDerWaalsContact O-CB 3.29Å; P508-S511 WeakPolarHBondContact O-CB 3.4Å; P508-S511 PolarHBondContact O-N 3.41Å; P508-S511 VanDerWaalsContact O-N 3.08Å; P508-S511 PolarHBondContact O-OG 3.43Å; P508-Y544 HydrophobicContact CB-CE1 4.37Å; P508-Y544 HydrophobicContact CG-CD1 3.98Å; P508-Y544 HydrophobicContact CG-CE1 3.45Å; P508-Y544 VanDerWaalsContact CG-CE1 3.45Å; P508-K555 HydrophobicContact CB-CD 4.49Å; P508-K555 HydrophobicContact CB-CG 3.89Å; P508-L558 HydrophobicContact CB-CD1 3.8Å; P508-L558 HydrophobicContact CG-CD1 3.33Å | ||
| 509 | E | 83.7 | Confident | 89.8 | Confident | 167 Ų | 167 | 56.2 Ų | 56.2 | 78% | 0.78 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 135.5 | 167.1 | -66.5 | -173.9 | 177.3 | 0 | 0 | 109.6 | S511 | E509-S511 VanDerWaalsContact C-N 3.3Å; E509-S511 PolarHBondContact O-N 3.47Å |
| 510 | N | 88.9 | Confident | 89.6 | Confident | 88 Ų | 88 | 57.2 Ų | 57.2 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 16.2 | -176.9 | -52.5 | -63.6 | 0 | 0 | 0 | 116.1 | P508 T512 A513 L558 | P508-N510 PolarHBondContact O-N 2.89Å; N510-T512 PolarHBondContact O-N 3.39Å; N510-T512 VanDerWaalsContact O-N 3.12Å; N510-A513 HydrophobicContact CB-CB 3.65Å; N510-A513 WeakPolarHBondContact O-CB 3.32Å; N510-A513 PolarHBondContact O-N 2.78Å; N510-L558 HydrophobicContact CB-CB 4.07Å |
| 511 | S | 87.9 | Confident | 89.4 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -30.6 | 173 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | P508 E509 F518 | P508-S511 VanDerWaalsContact O-CB 3.29Å; P508-S511 WeakPolarHBondContact O-CB 3.4Å; P508-S511 PolarHBondContact O-N 3.41Å; P508-S511 VanDerWaalsContact O-N 3.08Å; P508-S511 PolarHBondContact O-OG 3.43Å; E509-S511 VanDerWaalsContact C-N 3.3Å; E509-S511 PolarHBondContact O-N 3.47Å; S511-F518 WeakPolarHBondContact O-CB 3.39Å; S511-F518 WeakPolarHBondContact O-CD2 3.38Å; S511-F518 PolarHBondContact O-N 3.22Å |
| 512 | T | 88.4 | Confident | 89.1 | Confident | 94 Ų | 94 | 53 Ų | 53 | 58% | 0.577 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 8.7 | 178.4 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | N510 N515 H516 | N510-T512 PolarHBondContact O-N 3.39Å; N510-T512 VanDerWaalsContact O-N 3.12Å; T512-N515 PolarHBondContact O-N 3.27Å; T512-H516 WeakPolarHBondContact CA-O 3.3Å |
| 513 | A | 86.5 | Confident | 88.5 | Confident | 20 Ų | 20 | 53.7 Ų | 53.7 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -60 | 149.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | N510 N515 H516 | N510-A513 HydrophobicContact CB-CB 3.65Å; N510-A513 WeakPolarHBondContact O-CB 3.32Å; N510-A513 PolarHBondContact O-N 2.78Å; A513-N515 PolarHBondContact O-N 2.9Å; A513-N515 VanDerWaalsContact O-N 3.09Å; A513-H516 WeakPolarHBondContact O-CB 3.46Å; A513-H516 PolarHBondContact O-CD2 2.98Å; A513-H516 VanDerWaalsContact O-CD2 3.26Å; A513-H516 PolarHBondContact O-N 3.47Å |
| 514 | N | 87.9 | Confident | 87.7 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | 52.7 | 33.9 | 177.5 | -50.8 | -37.1 | 0 | 0 | 0 | 113.8 | H516 G559 V561 C564 | N514-H516 VanDerWaalsContact C-N 3.29Å; N514-H516 PolarHBondContact O-N 3.15Å; N514-G559 PolarHBondContact ND2-O 2.97Å; N514-V561 PolarHBondContact ND2-O 3.2Å; N514-C564 WeakPolarHBondContact O-CB 3.4Å; N514-C564 PolarHBondContact O-N 2.91Å |
| 515 | N | 89.4 | Confident | 86.7 | Confident | 119 Ų | 119 | 66.7 Ų | 66.7 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | 65.7 | 18.6 | -178.4 | -62.3 | -35.3 | 0 | 0 | 0 | 115.9 | T512 A513 R548 C564 | T512-N515 PolarHBondContact O-N 3.27Å; A513-N515 PolarHBondContact O-N 2.9Å; A513-N515 VanDerWaalsContact O-N 3.09Å; N515-R548 PolarHBondContact O-NH1 2.95Å; N515-C564 VanDerWaalsContact C-CB 3.45Å; N515-C564 HydrophobicContact CB-CB 4.03Å; N515-C564 VanDerWaalsContact O-CB 3.25Å; N515-C564 WeakPolarHBondContact O-CB 3.49Å |
| 516 | H | 88.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | trans | -78.3 | 171.9 | 172.9 | -68.9 | -71.4 | 0 | 0 | 0 | 112.4 | T512 A513 N514 F518 C546 C549 P562 C564 | T512-H516 WeakPolarHBondContact CA-O 3.3Å; A513-H516 WeakPolarHBondContact O-CB 3.46Å; A513-H516 PolarHBondContact O-CD2 2.98Å; A513-H516 VanDerWaalsContact O-CD2 3.26Å; A513-H516 PolarHBondContact O-N 3.47Å; N514-H516 VanDerWaalsContact C-N 3.29Å; N514-H516 PolarHBondContact O-N 3.15Å; H516-F518 HydrophobicContact CB-CD2 3.54Å; H516-F518 HydrophobicContact CB-CE2 3.31Å; H516-F518 HydrophobicContact CB-CG 4.37Å; H516-F518 HydrophobicContact CB-CZ 3.97Å; H516-F518 AromaticContact CD2-CE2 3.67Å; H516-F518 AromaticContact CD2-CZ 4Å; H516-F518 AromaticContact CG-CE2 3.45Å; H516-F518 VanDerWaalsContact CG-CE2 3.45Å; H516-F518 AromaticContact CG-CZ 3.73Å; H516-C546 HydrophobicContact CB-CB 4.39Å; H516-C546 PolarHBondContact ND1-SG 3.05Å; H516-C549 PolarHBondContact CE1-SG 3.28Å; H516-C549 PolarHBondContact ND1-SG 2.66Å; H516-C549 VanDerWaalsContact ND1-SG 3.36Å; H516-P562 PolarHBondContact CE1-O 2.95Å; H516-P562 PolarHBondContact NE2-O 3.07Å; H516-C564 VanDerWaalsContact CE1-CA 3.48Å; H516-C564 WeakPolarHBondContact CE1-CA 3.35Å; H516-C564 VanDerWaalsContact CE1-CB 3.48Å; H516-C564 WeakPolarHBondContact CE1-CB 3.38Å; H516-C564 WeakPolarHBondContact ND1-CB 3.47Å; H516-C564 PolarHBondContact ND1-SG 2.87Å; H516-C564 VanDerWaalsContact ND1-SG 3.38Å; H516-C564 PolarHBondContact NE2-N 3.38Å | ||
| 517 | D | 89.1 | Confident | 85.7 | Confident | 46 Ų | 46 | 70.2 Ų | 70.2 | 25% | 0.246 | 37% | 0.374 | C | S | . | . | trans | -140.3 | 79.2 | 168.6 | 173.9 | 33.6 | 0 | 0 | 0 | 107.1 | C546 T547 R548 | D517-C546 PolarHBondContact N-SG 3.22Å; D517-C546 VanDerWaalsContact N-SG 3.39Å; D517-C546 CarbonylContact O-C 3.58Å; D517-C546 VanDerWaalsContact O-CA 3.29Å; D517-C546 WeakPolarHBondContact O-CA 3.44Å; D517-T547 WeakPolarHBondContact CB-OG1 3.49Å; D517-T547 VanDerWaalsContact CG-OG1 3.32Å; D517-T547 PolarHBondContact O-N 2.82Å; D517-T547 PolarHBondContact O-OG1 2.8Å; D517-T547 PolarHBondContact OD2-OG1 3.23Å; D517-R548 HydrophobicContact CB-CG 4.22Å | ||
| 518 | F | 92.2 | Very high | 85.6 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 127.7 | -176.6 | -76.1 | -69.9 | 0 | 0 | 0 | 111.3 | S511 H516 C546 A553 L558 V561 | S511-F518 WeakPolarHBondContact O-CB 3.39Å; S511-F518 WeakPolarHBondContact O-CD2 3.38Å; S511-F518 PolarHBondContact O-N 3.22Å; H516-F518 HydrophobicContact CB-CD2 3.54Å; H516-F518 HydrophobicContact CB-CE2 3.31Å; H516-F518 HydrophobicContact CB-CG 4.37Å; H516-F518 HydrophobicContact CB-CZ 3.97Å; H516-F518 AromaticContact CD2-CE2 3.67Å; H516-F518 AromaticContact CD2-CZ 4Å; H516-F518 AromaticContact CG-CE2 3.45Å; H516-F518 VanDerWaalsContact CG-CE2 3.45Å; H516-F518 AromaticContact CG-CZ 3.73Å; F518-C546 HydrophobicContact CD1-CB 3.83Å; F518-C546 HydrophobicContact CE1-CB 3.68Å; F518-C546 HydrophobicContact CG-CB 4.45Å; F518-C546 HydrophobicContact CZ-CB 4.19Å; F518-A553 HydrophobicContact CE1-CB 4.38Å; F518-L558 HydrophobicContact CB-CD1 4.49Å; F518-L558 HydrophobicContact CB-CD2 4.08Å; F518-L558 HydrophobicContact CD1-CD2 3.89Å; F518-L558 HydrophobicContact CD2-CB 4.28Å; F518-L558 HydrophobicContact CD2-CD2 3.78Å; F518-L558 HydrophobicContact CD2-CG 4.46Å; F518-L558 HydrophobicContact CE1-CD2 4.25Å; F518-L558 HydrophobicContact CE2-CB 4.45Å; F518-L558 HydrophobicContact CE2-CD2 4.14Å; F518-L558 HydrophobicContact CG-CD2 3.66Å; F518-L558 HydrophobicContact CZ-CD2 4.38Å; F518-V561 HydrophobicContact CE2-CB 4.41Å; F518-V561 HydrophobicContact CE2-CG2 4.37Å; F518-V561 HydrophobicContact CZ-CB 4.01Å; F518-V561 HydrophobicContact CZ-CG1 4.01Å; F518-V561 HydrophobicContact CZ-CG2 3.85Å |
| 519 | Q | 91.1 | Very high | 85.6 | Confident | 103 Ų | 103 | 68 Ų | 68 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 146.8 | 176.2 | -64 | -176.7 | -4.6 | 0 | 0 | 110.3 | H521 Y544 Q545 T547 | Q519-H521 PolarHBondContact O-N 3.1Å; Q519-Y544 CarbonylContact O-C 3.54Å; Q519-Y544 VanDerWaalsContact O-CA 3.25Å; Q519-Y544 WeakPolarHBondContact O-CA 3.36Å; Q519-Q545 PolarHBondContact N-O 3.49Å; Q519-Q545 PolarHBondContact O-N 2.9Å; Q519-T547 HydrophobicContact CB-CG2 4.4Å; Q519-T547 HydrophobicContact CG-CG2 3.79Å |
| 520 | M | 92 | Very high | 86 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 10% | 0.103 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 127.9 | 173.6 | -68.3 | -177.3 | 74 | 0 | 0 | 110.2 | D427 N505 M506 F541 Y544 | D427-M520 HydrophobicContact CB-CE 3.95Å; D427-M520 HydrophobicContact CB-SD 4.18Å; N505-M520 HydrophobicContact CB-CE 4.24Å; N505-M520 HydrophobicContact CB-SD 3.99Å; N505-M520 WeakPolarHBondContact O-CG 3.39Å; N505-M520 VanDerWaalsContact O-SD 3.33Å; M506-M520 HydrophobicContact CG-SD 4.46Å; M520-F541 HydrophobicContact CB-CD1 3.93Å; M520-F541 HydrophobicContact CB-CE1 4.14Å; M520-F541 HydrophobicContact CE-CB 4.37Å; M520-F541 HydrophobicContact CE-CD1 4.09Å; M520-F541 HydrophobicContact CE-CG 4.31Å; M520-Y544 HydrophobicContact CB-CE1 4.42Å; M520-Y544 HydrophobicContact CG-CD1 4.23Å; M520-Y544 HydrophobicContact CG-CE1 3.56Å |
| 521 | H | 88.8 | Confident | 86.1 | Confident | 65 Ų | 65 | 63.2 Ų | 63.2 | 30% | 0.301 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 144.4 | -173.7 | -167.8 | 71.2 | 0 | 0 | 0 | 111.9 | Q519 F523 F541 G543 Q545 | Q519-H521 PolarHBondContact O-N 3.1Å; H521-F523 HydrophobicContact CB-CE2 4Å; H521-F523 HydrophobicContact CB-CZ 4.17Å; H521-F523 AromaticContact CD2-CD1 3.69Å; H521-F523 AromaticContact CD2-CD2 3.92Å; H521-F523 AromaticContact CD2-CE1 3.61Å; H521-F523 AromaticContact CD2-CE2 3.84Å; H521-F523 AromaticContact CD2-CG 3.84Å; H521-F523 AromaticContact CD2-CZ 3.69Å; H521-F541 WeakPolarHBondContact O-CA 3.3Å; H521-G543 PolarHBondContact N-O 3.09Å; H521-Q545 HydrophobicContact CB-CB 3.73Å |
| 522 | C | 86.1 | Confident | 86 | Confident | 47 Ų | 47 | 63.8 Ų | 63.8 | 32% | 0.318 | 34% | 0.342 | S | S | . | . | trans | -101.5 | 114.6 | 171.4 | -165.9 | 0 | 0 | 0 | 0 | 108 | T539 | C522-T539 PolarHBondContact SG-O 2.92Å; C522-T539 VanDerWaalsContact SG-O 3.35Å | ||
| 523 | F | 81.8 | Confident | 85.7 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 7% | 0.066 | 34% | 0.344 | C | S | . | . | trans | -88.8 | 122.9 | 179.4 | -62.8 | -92.9 | 0 | 0 | 0 | 109.3 | H521 T527 L536 Q542 Q545 A552 | H521-F523 HydrophobicContact CB-CE2 4Å; H521-F523 HydrophobicContact CB-CZ 4.17Å; H521-F523 AromaticContact CD2-CD1 3.69Å; H521-F523 AromaticContact CD2-CD2 3.92Å; H521-F523 AromaticContact CD2-CE1 3.61Å; H521-F523 AromaticContact CD2-CE2 3.84Å; H521-F523 AromaticContact CD2-CG 3.84Å; H521-F523 AromaticContact CD2-CZ 3.69Å; F523-T527 HydrophobicContact CD1-CG2 3.83Å; F523-T527 WeakPolarHBondContact CD1-OG1 3.44Å; F523-T527 HydrophobicContact CE1-CG2 3.93Å; F523-T527 HydrophobicContact CG-CG2 4.48Å; F523-L536 HydrophobicContact CD2-CD1 3.84Å; F523-L536 HydrophobicContact CE1-CD1 4.27Å; F523-L536 HydrophobicContact CE2-CD1 3.48Å; F523-L536 VanDerWaalsContact CE2-CD1 3.48Å; F523-L536 HydrophobicContact CG-CD1 4.39Å; F523-L536 HydrophobicContact CZ-CD1 3.71Å; F523-Q542 HydrophobicContact CD2-CB 4.39Å; F523-Q542 PolarHBondContact O-NE2 3Å; F523-Q545 HydrophobicContact CE1-CB 4.26Å; F523-Q545 HydrophobicContact CE1-CG 4.48Å; F523-Q545 HydrophobicContact CZ-CB 3.88Å; F523-A552 HydrophobicContact CE1-CB 3.5Å; F523-A552 HydrophobicContact CZ-CB 3.49Å; F523-A552 VanDerWaalsContact CZ-CB 3.49Å | ||
| 524 | E | 72.7 | Confident | 85.4 | Confident | 200 Ų | 200 | 65.7 Ų | 65.7 | 94% | 0.935 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -78.1 | -30.3 | 176.1 | -64.8 | -179.6 | -177.6 | 0 | 0 | 111.9 | ||
| 525 | E | 72.1 | Confident | 85.2 | Confident | 162 Ų | 162 | 62.1 Ų | 62.1 | 76% | 0.757 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -103.3 | 151.6 | 178.6 | -63.3 | -175.8 | 174.4 | 0 | 0 | 111.5 | T527 | E525-T527 PolarHBondContact O-N 2.56Å; E525-T527 VanDerWaalsContact O-N 3.09Å; E525-T527 PolarHBondContact O-OG1 3.44Å |
| 526 | T | 75.3 | Confident | 85 | Confident | 92 Ų | 92 | 57 Ų | 57 | 56% | 0.564 | 31% | 0.305 | S | S | * | . | trans | -51.6 | 118.6 | 170.9 | -62 | 0 | 0 | 0 | 0 | 110.4 | L277 L535 | L277-T526 HydrophobicContact CD1-CG2 3.19Å; T526-L535 HydrophobicContact CG2-CD2 3.68Å | ||
| 527 | T | 82.7 | Confident | 84.9 | Confident | 33 Ų | 33 | 60 Ų | 60 | 20% | 0.202 | 32% | 0.316 | C | S | . | . | trans | -129.3 | 135.2 | -174.6 | -57.2 | 0 | 0 | 0 | 0 | 110.6 | F523 E525 L536 A552 | F523-T527 HydrophobicContact CD1-CG2 3.83Å; F523-T527 WeakPolarHBondContact CD1-OG1 3.44Å; F523-T527 HydrophobicContact CE1-CG2 3.93Å; F523-T527 HydrophobicContact CG-CG2 4.48Å; E525-T527 PolarHBondContact O-N 2.56Å; E525-T527 VanDerWaalsContact O-N 3.09Å; E525-T527 PolarHBondContact O-OG1 3.44Å; T527-L536 HydrophobicContact CG2-CD1 3.86Å; T527-L536 WeakPolarHBondContact O-CB 3.41Å; T527-L536 PolarHBondContact O-N 3.47Å; T527-A552 HydrophobicContact CG2-CB 3.5Å | ||
| 528 | S | 84.3 | Confident | 84.5 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 34% | 0.336 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -101 | 142 | 176.1 | -63.9 | 0 | 0 | 0 | 0 | 111.3 | K530 | S528-K530 PolarHBondContact O-N 3.21Å |
| 529 | C | 89.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | trans | -66.8 | 131.1 | 177.2 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | A531 C532 S533 M534 L536 H554 C557 | C529-A531 PolarHBondContact O-N 3.32Å; C529-A531 PolarHBondContact SG-N 2.97Å; C529-C532 VanDerWaalsContact CB-SG 3.54Å; C529-S533 VanDerWaalsContact O-CA 3.25Å; C529-S533 WeakPolarHBondContact O-CA 3.34Å; C529-S533 PolarHBondContact O-N 2.89Å; C529-M534 WeakPolarHBondContact CB-O 3.24Å; C529-M534 PolarHBondContact N-O 3.48Å; C529-L536 HydrophobicContact CB-CD2 4.26Å; C529-H554 WeakPolarHBondContact CB-CE1 3.48Å; C529-H554 WeakPolarHBondContact CB-ND1 3.49Å; C529-H554 PolarHBondContact SG-ND1 3.07Å; C529-H554 VanDerWaalsContact SG-ND1 3.36Å; C529-C557 VanDerWaalsContact SG-CB 3.55Å; C529-C557 VanDerWaalsContact SG-SG 3.68Å | ||
| 530 | K | 91.4 | Very high | 83.7 | Confident | 120 Ų | 120 | 56.7 Ų | 56.7 | 52% | 0.522 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -16.8 | -176.8 | -167.7 | 54.9 | 176.8 | 179.8 | 0 | 114.2 | S528 M551 A552 V561 | S528-K530 PolarHBondContact O-N 3.21Å; K530-M551 HydrophobicContact CG-CG 4.35Å; K530-M551 HydrophobicContact CG-SD 4.08Å; K530-A552 PolarHBondContact N-O 2.93Å; K530-V561 HydrophobicContact CB-CG1 4.33Å; K530-V561 HydrophobicContact CG-CG1 4.35Å |
| 531 | A | 91.5 | Very high | 83.6 | Confident | 33 Ų | 33 | 56.6 Ų | 56.6 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -47.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | C529 C557 R560 V561 | C529-A531 PolarHBondContact O-N 3.32Å; C529-A531 PolarHBondContact SG-N 2.97Å; A531-C557 HydrophobicContact CB-CB 3.84Å; A531-R560 HydrophobicContact CB-CB 3.83Å; A531-V561 HydrophobicContact CB-CG2 4.23Å |
| 532 | C | 85.5 | Confident | 83.6 | Confident | 37 Ų | 37 | 54.7 Ų | 54.7 | 25% | 0.25 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -6.8 | -174.9 | 68 | 0 | 0 | 0 | 0 | 114.1 | C529 M534 H554 | C529-C532 VanDerWaalsContact CB-SG 3.54Å; C532-M534 HydrophobicContact CB-CG 4.44Å; C532-M534 PolarHBondContact O-N 3.32Å; C532-M534 PolarHBondContact SG-N 3.22Å; C532-H554 VanDerWaalsContact SG-CE1 3.52Å; C532-H554 PolarHBondContact SG-ND1 3.36Å; C532-H554 VanDerWaalsContact SG-ND1 3.4Å |
| 533 | S | 81.9 | Confident | 83.9 | Confident | 90 Ų | 90 | 52.8 Ų | 52.8 | 63% | 0.629 | 29% | 0.285 | S | S | * | . | trans | 59.8 | 6.3 | -175.4 | -53.6 | 0 | 0 | 0 | 0 | 115.2 | C529 | C529-S533 VanDerWaalsContact O-CA 3.25Å; C529-S533 WeakPolarHBondContact O-CA 3.34Å; C529-S533 PolarHBondContact O-N 2.89Å | ||
| 534 | M | 81.3 | Confident | 84.6 | Confident | 64 Ų | 64 | 52.6 Ų | 52.6 | 32% | 0.315 | 28% | 0.284 | S | S | . | . | trans | -80.5 | 159.5 | 171.5 | -58.8 | -57.9 | 168.4 | 0 | 0 | 110.6 | D364 C529 C532 | D364-M534 HydrophobicContact CB-SD 4.23Å; C529-M534 WeakPolarHBondContact CB-O 3.24Å; C529-M534 PolarHBondContact N-O 3.48Å; C532-M534 HydrophobicContact CB-CG 4.44Å; C532-M534 PolarHBondContact O-N 3.32Å; C532-M534 PolarHBondContact SG-N 3.22Å | ||
| 535 | L | 82.1 | Confident | 85.6 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -68.5 | 144.5 | -178.2 | -68.7 | 167 | 0 | 0 | 0 | 111.4 | L277 D364 T526 R537 H554 | L277-L535 HydrophobicContact CD1-CD1 3.77Å; L277-L535 HydrophobicContact CD1-CD2 3.95Å; L277-L535 HydrophobicContact CD2-CD1 3.52Å; L277-L535 HydrophobicContact CG-CD1 4.14Å; D364-L535 PolarHBondContact OD2-N 2.81Å; D364-L535 VanDerWaalsContact OD2-N 3.16Å; T526-L535 HydrophobicContact CG2-CD2 3.68Å; L535-R537 WeakPolarHBondContact O-CG 3.44Å; L535-R537 PolarHBondContact O-N 2.7Å; L535-H554 PolarHBondContact O-CE1 3.46Å; L535-H554 PolarHBondContact O-NE2 3.14Å |
| 536 | L | 85.4 | Confident | 86.6 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | trans | -75.6 | 103.3 | 161.3 | -66.4 | 179.1 | 0 | 0 | 0 | 107.2 | F523 T527 C529 Q542 A552 | F523-L536 HydrophobicContact CD2-CD1 3.84Å; F523-L536 HydrophobicContact CE1-CD1 4.27Å; F523-L536 HydrophobicContact CE2-CD1 3.48Å; F523-L536 VanDerWaalsContact CE2-CD1 3.48Å; F523-L536 HydrophobicContact CG-CD1 4.39Å; F523-L536 HydrophobicContact CZ-CD1 3.71Å; T527-L536 HydrophobicContact CG2-CD1 3.86Å; T527-L536 WeakPolarHBondContact O-CB 3.41Å; T527-L536 PolarHBondContact O-N 3.47Å; C529-L536 HydrophobicContact CB-CD2 4.26Å; L536-Q542 HydrophobicContact CB-CB 3.85Å; L536-A552 HydrophobicContact CD1-CB 3.68Å | ||
| 537 | R | 85.7 | Confident | 87.2 | Confident | 64 Ų | 64 | 35.2 Ų | 35.2 | 24% | 0.242 | 20% | 0.199 | C | C | . | . | trans | -79.2 | 146.8 | -167.7 | -56.8 | 179 | -166.8 | 121.8 | 0.5 | 111 | D364 C368 E371 L535 Q542 | D364-R537 IonicContact OD1-CZ 3.46Å; D364-R537 IonicContact OD1-NE 2.72Å; D364-R537 PolarHBondContact OD1-NE 2.87Å; D364-R537 IonicContact OD1-NH2 3.1Å; D364-R537 PolarHBondContact OD1-NH2 2.87Å; C368-R537 HydrophobicContact CB-CB 4.43Å; C368-R537 HydrophobicContact CB-CG 4.15Å; E371-R537 HydrophobicContact CB-CB 3.83Å; E371-R537 HydrophobicContact CG-CB 3.55Å; E371-R537 HydrophobicContact CG-CG 4.48Å; L535-R537 WeakPolarHBondContact O-CG 3.44Å; L535-R537 PolarHBondContact O-N 2.7Å; R537-Q542 VanDerWaalsContact O-CB 3.28Å; R537-Q542 WeakPolarHBondContact O-CB 3.29Å; R537-Q542 WeakPolarHBondContact O-CG 3.27Å | ||
| 538 | G | 82.1 | Confident | 87.4 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 94.3 | -176.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D375 Q542 | D375-G538 WeakPolarHBondContact OD2-CA 3.4Å; G538-Q542 VanDerWaalsContact O-CG 3.23Å; G538-Q542 WeakPolarHBondContact O-CG 3.44Å; G538-Q542 PolarHBondContact O-NE2 3.3Å; G538-Q542 VanDerWaalsContact O-NE2 3.14Å |
| 539 | T | 79.9 | Confident | 87.5 | Confident | 59 Ų | 59 | 40 Ų | 40 | 36% | 0.362 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -118.3 | -7.4 | -178.5 | 52.9 | 0 | 0 | 0 | 0 | 113.1 | V372 D375 C522 | V372-T539 HydrophobicContact CG1-CG2 3.93Å; V372-T539 HydrophobicContact CG2-CG2 4.1Å; D375-T539 WeakPolarHBondContact CB-OG1 3.49Å; D375-T539 PolarHBondContact OD2-N 2.94Å; C522-T539 PolarHBondContact SG-O 2.92Å; C522-T539 VanDerWaalsContact SG-O 3.35Å |
| 540 | F | 85.5 | Confident | 87.6 | Confident | 14 Ų | 14 | 46 Ų | 46 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -136.2 | 117 | -172.1 | -173.7 | -121.6 | 0 | 0 | 0 | 110.8 | D375 V378 I379 I382 A397 R401 Q542 | D375-F540 HydrophobicContact CB-CB 4.01Å; D375-F540 PolarHBondContact OD2-N 3.25Å; V378-F540 HydrophobicContact CG1-CD1 4.33Å; V378-F540 HydrophobicContact CG1-CE1 4.36Å; I379-F540 HydrophobicContact CD1-CB 4.21Å; I379-F540 HydrophobicContact CD1-CG 4.49Å; I379-F540 HydrophobicContact CG1-CG 4.37Å; I382-F540 HydrophobicContact CD1-CE1 3.7Å; I382-F540 HydrophobicContact CD1-CZ 3.89Å; A397-F540 HydrophobicContact CB-CE2 4.25Å; A397-F540 HydrophobicContact CB-CZ 4.47Å; A397-F540 VanDerWaalsContact O-CZ 3.32Å; A397-F540 WeakPolarHBondContact O-CZ 3.4Å; R401-F540 HydrophobicContact CG-CD1 4.07Å; R401-F540 HydrophobicContact CG-CE1 4.04Å; R401-F540 PolarHBondContact NH1-O 2.86Å; R401-F540 PolarHBondContact NH2-O 2.9Å; F540-Q542 PolarHBondContact O-N 3.2Å |
| 541 | F | 89.8 | Confident | 87.6 | Confident | 20 Ų | 20 | 42.7 Ų | 42.7 | 9% | 0.088 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 45.5 | 55.4 | -178.5 | -73.5 | -76.1 | 0 | 0 | 0 | 113.8 | A397 R401 M520 H521 G543 | A397-F541 WeakPolarHBondContact O-CE2 3.32Å; R401-F541 PolarHBondContact NH1-O 2.94Å; M520-F541 HydrophobicContact CB-CD1 3.93Å; M520-F541 HydrophobicContact CB-CE1 4.14Å; M520-F541 HydrophobicContact CE-CB 4.37Å; M520-F541 HydrophobicContact CE-CD1 4.09Å; M520-F541 HydrophobicContact CE-CG 4.31Å; H521-F541 WeakPolarHBondContact O-CA 3.3Å; F541-G543 PolarHBondContact O-N 2.87Å |
| 542 | Q | 90.4 | Very high | 87.7 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 12% | 0.117 | 22% | 0.215 | C | C | . | . | trans | -67.6 | -20.5 | -174.1 | -54.8 | 96 | -34.1 | 0 | 0 | 113.6 | F523 L536 R537 G538 F540 | F523-Q542 HydrophobicContact CD2-CB 4.39Å; F523-Q542 PolarHBondContact O-NE2 3Å; L536-Q542 HydrophobicContact CB-CB 3.85Å; R537-Q542 VanDerWaalsContact O-CB 3.28Å; R537-Q542 WeakPolarHBondContact O-CB 3.29Å; R537-Q542 WeakPolarHBondContact O-CG 3.27Å; G538-Q542 VanDerWaalsContact O-CG 3.23Å; G538-Q542 WeakPolarHBondContact O-CG 3.44Å; G538-Q542 PolarHBondContact O-NE2 3.3Å; G538-Q542 VanDerWaalsContact O-NE2 3.14Å; F540-Q542 PolarHBondContact O-N 3.2Å | ||
| 543 | G | 92.4 | Very high | 88.1 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.4 | -145.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | H521 F541 | H521-G543 PolarHBondContact N-O 3.09Å; F541-G543 PolarHBondContact O-N 2.87Å |
| 544 | Y | 94.7 | Very high | 88.7 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 4% | 0.043 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.2 | -172 | -59.8 | -100.7 | 0 | 0 | 0 | 111.2 | N505 P508 Q519 M520 A552 A553 K555 L558 | N505-Y544 WeakPolarHBondContact CA-OH 3.46Å; N505-Y544 WeakPolarHBondContact O-CE1 3.5Å; N505-Y544 PolarHBondContact O-OH 2.93Å; P508-Y544 HydrophobicContact CB-CE1 4.37Å; P508-Y544 HydrophobicContact CG-CD1 3.98Å; P508-Y544 HydrophobicContact CG-CE1 3.45Å; P508-Y544 VanDerWaalsContact CG-CE1 3.45Å; Q519-Y544 CarbonylContact O-C 3.54Å; Q519-Y544 VanDerWaalsContact O-CA 3.25Å; Q519-Y544 WeakPolarHBondContact O-CA 3.36Å; M520-Y544 HydrophobicContact CB-CE1 4.42Å; M520-Y544 HydrophobicContact CG-CD1 4.23Å; M520-Y544 HydrophobicContact CG-CE1 3.56Å; Y544-A552 CarbonylContact O-C 3.59Å; Y544-A552 VanDerWaalsContact O-CA 3.31Å; Y544-A552 WeakPolarHBondContact O-CA 3.27Å; Y544-A553 PolarHBondContact N-O 3.03Å; Y544-A553 PolarHBondContact O-N 3.31Å; Y544-K555 HydrophobicContact CD2-CB 4.41Å; Y544-K555 HydrophobicContact CE2-CB 3.63Å; Y544-K555 HydrophobicContact CE2-CG 3.79Å; Y544-L558 HydrophobicContact CD2-CD1 4.45Å; Y544-L558 HydrophobicContact CD2-CD2 4.24Å; Y544-L558 HydrophobicContact CG-CD1 4.39Å; Y544-L558 HydrophobicContact CG-CD2 4.13Å |
| 545 | Q | 95 | Very high | 89.3 | Confident | 38 Ų | 38 | 36.4 Ų | 36.4 | 18% | 0.178 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.3 | 171.8 | -171.1 | -177.6 | 76.2 | 0 | 0 | 109.6 | Q519 H521 F523 T547 K550 M551 | Q519-Q545 PolarHBondContact N-O 3.49Å; Q519-Q545 PolarHBondContact O-N 2.9Å; H521-Q545 HydrophobicContact CB-CB 3.73Å; F523-Q545 HydrophobicContact CE1-CB 4.26Å; F523-Q545 HydrophobicContact CE1-CG 4.48Å; F523-Q545 HydrophobicContact CZ-CB 3.88Å; Q545-T547 PolarHBondContact O-N 2.92Å; Q545-K550 HydrophobicContact CG-CD 4.35Å; Q545-M551 WeakPolarHBondContact CA-O 3.32Å |
| 546 | C | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 123.2 | 171.7 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | H516 D517 F518 R548 C549 K550 M551 | H516-C546 HydrophobicContact CB-CB 4.39Å; H516-C546 PolarHBondContact ND1-SG 3.05Å; D517-C546 PolarHBondContact N-SG 3.22Å; D517-C546 VanDerWaalsContact N-SG 3.39Å; D517-C546 CarbonylContact O-C 3.58Å; D517-C546 VanDerWaalsContact O-CA 3.29Å; D517-C546 WeakPolarHBondContact O-CA 3.44Å; F518-C546 HydrophobicContact CD1-CB 3.83Å; F518-C546 HydrophobicContact CE1-CB 3.68Å; F518-C546 HydrophobicContact CG-CB 4.45Å; F518-C546 HydrophobicContact CZ-CB 4.19Å; C546-R548 PolarHBondContact O-N 2.82Å; C546-C549 VanDerWaalsContact CB-SG 3.56Å; C546-K550 WeakPolarHBondContact O-CA 3.33Å; C546-K550 PolarHBondContact O-N 3.42Å; C546-M551 PolarHBondContact N-O 2.85Å |
| 547 | T | 88.7 | Confident | 90.3 | Very high | 50 Ų | 50 | 41.9 Ų | 41.9 | 31% | 0.307 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.9 | 179.3 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | D517 Q519 Q545 | D517-T547 WeakPolarHBondContact CB-OG1 3.49Å; D517-T547 VanDerWaalsContact CG-OG1 3.32Å; D517-T547 PolarHBondContact O-N 2.82Å; D517-T547 PolarHBondContact O-OG1 2.8Å; D517-T547 PolarHBondContact OD2-OG1 3.23Å; Q519-T547 HydrophobicContact CB-CG2 4.4Å; Q519-T547 HydrophobicContact CG-CG2 3.79Å; Q545-T547 PolarHBondContact O-N 2.92Å |
| 548 | R | 86.8 | Confident | 90.6 | Very high | 146 Ų | 146 | 38.9 Ų | 38.9 | 55% | 0.551 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -50.7 | -175 | -56.6 | 175.4 | -175.3 | -179 | -0.6 | 113.4 | N515 D517 C546 | N515-R548 PolarHBondContact O-NH1 2.95Å; D517-R548 HydrophobicContact CB-CG 4.22Å; C546-R548 PolarHBondContact O-N 2.82Å |
| 549 | C | 85.1 | Confident | 91 | Very high | 36 Ų | 36 | 40 Ų | 40 | 24% | 0.243 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -3.5 | -173.7 | 70.4 | 0 | 0 | 0 | 0 | 114.5 | H516 C546 M551 | H516-C549 PolarHBondContact CE1-SG 3.28Å; H516-C549 PolarHBondContact ND1-SG 2.66Å; H516-C549 VanDerWaalsContact ND1-SG 3.36Å; C546-C549 VanDerWaalsContact CB-SG 3.56Å; C549-M551 HydrophobicContact CB-CG 4.5Å; C549-M551 PolarHBondContact O-N 2.84Å; C549-M551 VanDerWaalsContact O-N 3.08Å; C549-M551 VanDerWaalsContact SG-CG 3.52Å |
| 550 | K | 91.5 | Very high | 91.7 | Very high | 127 Ų | 127 | 44.6 Ų | 44.6 | 55% | 0.552 | 21% | 0.212 | S | C | * | . | trans | 62.7 | 7.9 | -179.1 | -54.3 | -60.9 | -177 | 177.5 | 0 | 115.8 | Q545 C546 | Q545-K550 HydrophobicContact CG-CD 4.35Å; C546-K550 WeakPolarHBondContact O-CA 3.33Å; C546-K550 PolarHBondContact O-N 3.42Å | ||
| 551 | M | 91.8 | Very high | 92 | Very high | 52 Ų | 52 | 44 Ų | 44 | 26% | 0.256 | 21% | 0.209 | S | C | . | . | trans | -61.7 | 141.5 | 171.1 | -69.7 | 179.3 | 177.3 | 0 | 0 | 110.6 | K530 Q545 C546 C549 V561 | K530-M551 HydrophobicContact CG-CG 4.35Å; K530-M551 HydrophobicContact CG-SD 4.08Å; Q545-M551 WeakPolarHBondContact CA-O 3.32Å; C546-M551 PolarHBondContact N-O 2.85Å; C549-M551 HydrophobicContact CB-CG 4.5Å; C549-M551 PolarHBondContact O-N 2.84Å; C549-M551 VanDerWaalsContact O-N 3.08Å; C549-M551 VanDerWaalsContact SG-CG 3.52Å; M551-V561 HydrophobicContact CB-CG1 4.45Å; M551-V561 HydrophobicContact SD-CG1 3.92Å | ||
| 552 | A | 93.6 | Very high | 92 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 7% | 0.066 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 141.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F523 T527 K530 L536 Y544 | F523-A552 HydrophobicContact CE1-CB 3.5Å; F523-A552 HydrophobicContact CZ-CB 3.49Å; F523-A552 VanDerWaalsContact CZ-CB 3.49Å; T527-A552 HydrophobicContact CG2-CB 3.5Å; K530-A552 PolarHBondContact N-O 2.93Å; L536-A552 HydrophobicContact CD1-CB 3.68Å; Y544-A552 CarbonylContact O-C 3.59Å; Y544-A552 VanDerWaalsContact O-CA 3.31Å; Y544-A552 WeakPolarHBondContact O-CA 3.27Å |
| 553 | A | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 154.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | F518 Y544 C557 L558 V561 | F518-A553 HydrophobicContact CE1-CB 4.38Å; Y544-A553 PolarHBondContact N-O 3.03Å; Y544-A553 PolarHBondContact O-N 3.31Å; A553-C557 HydrophobicContact CB-CB 4.24Å; A553-L558 HydrophobicContact CB-CD2 3.92Å; A553-V561 HydrophobicContact CB-CG2 3.6Å |
| 554 | H | 93.3 | Very high | 91.5 | Very high | 15 Ų | 15 | 49 Ų | 49 | 7% | 0.069 | 26% | 0.255 | C | S | . | . | trans | -68 | 161.5 | 167.8 | -54.4 | 100 | 0 | 0 | 0 | 111.3 | C529 C532 L535 E556 C557 L558 | C529-H554 WeakPolarHBondContact CB-CE1 3.48Å; C529-H554 WeakPolarHBondContact CB-ND1 3.49Å; C529-H554 PolarHBondContact SG-ND1 3.07Å; C529-H554 VanDerWaalsContact SG-ND1 3.36Å; C532-H554 VanDerWaalsContact SG-CE1 3.52Å; C532-H554 PolarHBondContact SG-ND1 3.36Å; C532-H554 VanDerWaalsContact SG-ND1 3.4Å; L535-H554 PolarHBondContact O-CE1 3.46Å; L535-H554 PolarHBondContact O-NE2 3.14Å; H554-E556 VanDerWaalsContact C-N 3.31Å; H554-E556 HydrophobicContact CB-CG 4.41Å; H554-E556 PolarHBondContact O-N 2.84Å; H554-C557 HydrophobicContact CB-CB 4.01Å; H554-C557 WeakPolarHBondContact O-CB 3.31Å; H554-C557 PolarHBondContact O-N 3.45Å; H554-L558 WeakPolarHBondContact O-CD2 3.47Å; H554-L558 PolarHBondContact O-N 3.31Å | ||
| 555 | K | 94.6 | Very high | 90.4 | Very high | 68 Ų | 68 | 51 Ų | 51 | 30% | 0.296 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -56 | -45.8 | 179.1 | -164.2 | 178.5 | 178.5 | -177.2 | 0 | 111.8 | S504 N505 P508 Y544 C557 L558 | S504-K555 WeakPolarHBondContact O-CE 3.32Å; S504-K555 PolarHBondContact O-NZ 3.27Å; S504-K555 PolarHBondContact OG-NZ 3.45Å; N505-K555 PolarHBondContact OD1-NZ 3.48Å; P508-K555 HydrophobicContact CB-CD 4.49Å; P508-K555 HydrophobicContact CB-CG 3.89Å; Y544-K555 HydrophobicContact CD2-CB 4.41Å; Y544-K555 HydrophobicContact CE2-CB 3.63Å; Y544-K555 HydrophobicContact CE2-CG 3.79Å; K555-C557 PolarHBondContact O-N 2.86Å; K555-L558 WeakPolarHBondContact O-CG 3.34Å |
| 556 | E | 93.4 | Very high | 88.3 | Confident | 127 Ų | 127 | 60.6 Ų | 60.6 | 59% | 0.593 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -78.9 | -1.2 | 179.7 | 66.8 | -86.1 | -162 | 0 | 0 | 113.8 | H554 R560 | H554-E556 VanDerWaalsContact C-N 3.31Å; H554-E556 HydrophobicContact CB-CG 4.41Å; H554-E556 PolarHBondContact O-N 2.84Å; E556-R560 PolarHBondContact O-NH2 2.89Å |
| 557 | C | 94.6 | Very high | 86 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -105.6 | -13.1 | -178.2 | -78 | 0 | 0 | 0 | 0 | 113.6 | C529 A531 A553 H554 K555 G559 R560 V561 | C529-C557 VanDerWaalsContact SG-CB 3.55Å; C529-C557 VanDerWaalsContact SG-SG 3.68Å; A531-C557 HydrophobicContact CB-CB 3.84Å; A553-C557 HydrophobicContact CB-CB 4.24Å; H554-C557 HydrophobicContact CB-CB 4.01Å; H554-C557 WeakPolarHBondContact O-CB 3.31Å; H554-C557 PolarHBondContact O-N 3.45Å; K555-C557 PolarHBondContact O-N 2.86Å; C557-G559 PolarHBondContact O-N 3.33Å; C557-R560 PolarHBondContact O-N 3.27Å; C557-R560 PolarHBondContact SG-NH2 2.85Å; C557-V561 PolarHBondContact O-N 3.01Å |
| 558 | L | 92.8 | Very high | 83.4 | Confident | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -54.6 | -45.8 | -169.8 | -57.3 | 178.4 | 0 | 0 | 0 | 113.3 | P508 N510 F518 Y544 A553 H554 K555 R560 V561 | P508-L558 HydrophobicContact CB-CD1 3.8Å; P508-L558 HydrophobicContact CG-CD1 3.33Å; N510-L558 HydrophobicContact CB-CB 4.07Å; F518-L558 HydrophobicContact CB-CD1 4.49Å; F518-L558 HydrophobicContact CB-CD2 4.08Å; F518-L558 HydrophobicContact CD1-CD2 3.89Å; F518-L558 HydrophobicContact CD2-CB 4.28Å; F518-L558 HydrophobicContact CD2-CD2 3.78Å; F518-L558 HydrophobicContact CD2-CG 4.46Å; F518-L558 HydrophobicContact CE1-CD2 4.25Å; F518-L558 HydrophobicContact CE2-CB 4.45Å; F518-L558 HydrophobicContact CE2-CD2 4.14Å; F518-L558 HydrophobicContact CG-CD2 3.66Å; F518-L558 HydrophobicContact CZ-CD2 4.38Å; Y544-L558 HydrophobicContact CD2-CD1 4.45Å; Y544-L558 HydrophobicContact CD2-CD2 4.24Å; Y544-L558 HydrophobicContact CG-CD1 4.39Å; Y544-L558 HydrophobicContact CG-CD2 4.13Å; A553-L558 HydrophobicContact CB-CD2 3.92Å; H554-L558 WeakPolarHBondContact O-CD2 3.47Å; H554-L558 PolarHBondContact O-N 3.31Å; K555-L558 WeakPolarHBondContact O-CG 3.34Å; L558-R560 PolarHBondContact O-N 3.48Å; L558-V561 PolarHBondContact O-N 3.24Å |
| 559 | G | 90.9 | Very high | 81.1 | Confident | 34 Ų | 34 | 71.9 Ų | 71.9 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -67.2 | -19.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | N514 C557 | N514-G559 PolarHBondContact ND2-O 2.97Å; C557-G559 PolarHBondContact O-N 3.33Å |
| 560 | R | 93.9 | Very high | 78.7 | Confident | 156 Ų | 156 | 77.8 Ų | 77.8 | 59% | 0.589 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -92.7 | -5.6 | 179.1 | -68.7 | -177.8 | -76.2 | 164.1 | -5.4 | 113 | A531 E556 C557 L558 | A531-R560 HydrophobicContact CB-CB 3.83Å; E556-R560 PolarHBondContact O-NH2 2.89Å; C557-R560 PolarHBondContact O-N 3.27Å; C557-R560 PolarHBondContact SG-NH2 2.85Å; L558-R560 PolarHBondContact O-N 3.48Å |
| 561 | V | 91.3 | Very high | 75.7 | Confident | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.006 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -71.1 | 132.5 | 179 | -175 | 0 | 0 | 0 | 0 | 109.7 | N514 F518 K530 A531 M551 A553 C557 L558 | N514-V561 PolarHBondContact ND2-O 3.2Å; F518-V561 HydrophobicContact CE2-CB 4.41Å; F518-V561 HydrophobicContact CE2-CG2 4.37Å; F518-V561 HydrophobicContact CZ-CB 4.01Å; F518-V561 HydrophobicContact CZ-CG1 4.01Å; F518-V561 HydrophobicContact CZ-CG2 3.85Å; K530-V561 HydrophobicContact CB-CG1 4.33Å; K530-V561 HydrophobicContact CG-CG1 4.35Å; A531-V561 HydrophobicContact CB-CG2 4.23Å; M551-V561 HydrophobicContact CB-CG1 4.45Å; M551-V561 HydrophobicContact SD-CG1 3.92Å; A553-V561 HydrophobicContact CB-CG2 3.6Å; C557-V561 PolarHBondContact O-N 3.01Å; L558-V561 PolarHBondContact O-N 3.24Å |
| 562 | P | 89.9 | Confident | 72.6 | Confident | 71 Ų | 71 | 79 Ų | 79 | 46% | 0.461 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 157.1 | 176.9 | -26.1 | 34.4 | 0 | 0 | 0 | 113.2 | H516 | H516-P562 PolarHBondContact CE1-O 2.95Å; H516-P562 PolarHBondContact NE2-O 3.07Å |
| 563 | G | 87.6 | Confident | 69.5 | Low | 55 Ų | 55 | 86.5 Ų | 86.5 | 57% | 0.567 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -48.3 | 138.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | G565 | G563-G565 PolarHBondContact O-N 2.89Š|
| 564 | C | 85.6 | Confident | 66.4 | Low | 31 Ų | 31 | 94.1 Ų | 94.1 | 21% | 0.209 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 116.6 | 176.3 | -160.4 | 0 | 0 | 0 | 0 | 110.5 | N514 N515 H516 | N514-C564 WeakPolarHBondContact O-CB 3.4Å; N514-C564 PolarHBondContact O-N 2.91Å; N515-C564 VanDerWaalsContact C-CB 3.45Å; N515-C564 HydrophobicContact CB-CB 4.03Å; N515-C564 VanDerWaalsContact O-CB 3.25Å; N515-C564 WeakPolarHBondContact O-CB 3.49Å; H516-C564 VanDerWaalsContact CE1-CA 3.48Å; H516-C564 WeakPolarHBondContact CE1-CA 3.35Å; H516-C564 VanDerWaalsContact CE1-CB 3.48Å; H516-C564 WeakPolarHBondContact CE1-CB 3.38Å; H516-C564 WeakPolarHBondContact ND1-CB 3.47Å; H516-C564 PolarHBondContact ND1-SG 2.87Å; H516-C564 VanDerWaalsContact ND1-SG 3.38Å; H516-C564 PolarHBondContact NE2-N 3.38Å |
| 565 | G | 71.3 | Confident | 63.3 | Low | 53 Ų | 53 | 103 Ų | 103 | 55% | 0.546 | 58% | 0.579 | S | S | . | * | trans | -162.4 | 136.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G563 N567 | G563-G565 PolarHBondContact O-N 2.89Å; G565-N567 PolarHBondContact O-N 2.91Å | ||
| 566 | R | 51.7 | Low | 60.3 | Low | 239 Ų | 239 | 111.3 Ų | 111.3 | 90% | 0.902 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -76.5 | 93.2 | 168.7 | -76.8 | 179.3 | 170.9 | 175 | -3.4 | 109.2 | ||
| 567 | N | 42.5 | Very low | 57.2 | Low | 161 Ų | 161 | 113.3 Ų | 113.3 | 86% | 0.861 | 62% | 0.618 | S | S | * | * | trans | 149.9 | 104.1 | 151.1 | -85.6 | -6.5 | 0 | 0 | 0 | 110.9 | G565 | G565-N567 PolarHBondContact O-N 2.91Š| ||
| 568 | S | 35.6 | Very low | 54.1 | Low | 121 Ų | 121 | 121.2 Ų | 121.2 | 85% | 0.846 | 66% | 0.661 | S | S | * | * | trans | -141.7 | 53.7 | 156.4 | 172.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 569 | D | 37.5 | Very low | 51 | Low | 151 Ų | 151 | 128.5 Ų | 128.5 | 81% | 0.807 | 69% | 0.692 | S | S | * | * | trans | -117.1 | 95.7 | 156.3 | -83.4 | -29.4 | 0 | 0 | 0 | 107.3 | ||||
| 570 | N | 34 | Very low | 48.1 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | trans | 157.3 | 100.3 | 138.9 | -88.1 | -25.4 | 0 | 0 | 0 | 112.1 | ||||
| 571 | S | 29.5 | Very low | 45.1 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 91% | 0.909 | 72% | 0.722 | S | S | * | * | -171.3 | 103.3 | 125.9 | 59.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 572 | G | 26.8 | Very low | 42.1 | Very low | 75 Ų | 75 | 144 Ų | 144 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 168.6 | 61.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 573 | N | 28 | Very low | 39.1 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | 56.1 | 84.2 | 158 | -74 | -21 | 0 | 0 | 0 | 119.7 | K575 | N573-K575 PolarHBondContact O-N 2.52Š| ||
| 574 | I | 29.3 | Very low | 36.3 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | trans | -82.6 | 104.8 | 156.9 | -63.8 | 172.9 | 0 | 0 | 0 | 109 | R576 | I574-R576 PolarHBondContact O-N 3.1Š| ||
| 575 | K | 29.7 | Very low | 33.8 | Very low | 201 Ų | 201 | 151 Ų | 151 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -70 | 118.1 | 155.6 | -81.8 | -177 | 177.2 | 176.9 | 0 | 107.8 | N573 Q577 | N573-K575 PolarHBondContact O-N 2.52Å; K575-Q577 PolarHBondContact O-N 3.23Å | ||
| 576 | R | 29.8 | Very low | 31.7 | Very low | 243 Ų | 243 | 153.9 Ų | 153.9 | 92% | 0.917 | 84% | 0.838 | S | S | * | * | trans | -60.8 | 118.4 | 168.8 | -72.3 | 179.1 | 174 | -178.8 | -2.8 | 109.4 | I574 | I574-R576 PolarHBondContact O-N 3.1Š| ||
| 577 | Q | 29.3 | Very low | 30.5 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 79% | 0.79 | 83% | 0.831 | S | S | * | * | trans | -121.4 | 113.4 | 152.3 | -86.1 | -170.7 | -5.9 | 0 | 0 | 108.1 | K575 K579 | K575-Q577 PolarHBondContact O-N 3.23Å; Q577-K579 PolarHBondContact O-N 3.46Å | ||
| 578 | D | 28.7 | Very low | 29.8 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | -55.4 | 125.4 | 164.5 | -90.9 | -42.8 | 0 | 0 | 0 | 110 | ||||
| 579 | K | 29.1 | Very low | 29.8 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 67% | 0.67 | 83% | 0.829 | S | S | * | * | trans | -135.2 | 101.8 | 157.3 | -78.7 | -169.5 | 179.3 | 176 | 0 | 110.3 | Q577 H581 | Q577-K579 PolarHBondContact O-N 3.46Å; K579-H581 PolarHBondContact O-N 2.73Å | ||
| 580 | S | 29.5 | Very low | 30.4 | Very low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -57.1 | 113.8 | 152.4 | 56.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 581 | H | 31.1 | Very low | 31.8 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 75% | 0.75 | 80% | 0.802 | S | S | * | * | trans | -107 | 107.5 | 166 | -87.4 | -73.3 | 0 | 0 | 0 | 110.3 | K579 | K579-H581 PolarHBondContact O-N 2.73Š| ||
| 582 | R | 27.1 | Very low | 33.9 | Very low | 237 Ų | 237 | 138.1 Ų | 138.1 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | trans | -53.3 | 127.3 | 156.1 | -77 | 173.5 | 168.5 | 171.5 | -4.7 | 108.7 | S584 | R582-S584 PolarHBondContact O-N 3.09Š| ||
| 583 | A | 28.1 | Very low | 36.5 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | trans | -66.2 | 119.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 584 | S | 29.3 | Very low | 39.1 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | trans | -125.4 | 125.6 | 166.1 | 171.9 | 0 | 0 | 0 | 0 | 106.8 | R582 | R582-S584 PolarHBondContact O-N 3.09Š| ||
| 585 | G | 31.5 | Very low | 41.7 | Very low | 79 Ų | 79 | 126.2 Ų | 126.2 | 81% | 0.814 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 146.9 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 586 | S | 27.8 | Very low | 44.3 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 79% | 0.79 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 133.6 | 162.1 | 175.9 | 0 | 0 | 0 | 0 | 108.3 | N588 | S586-N588 PolarHBondContact O-N 3.31Š|
| 587 | S | 27.4 | Very low | 46.6 | Very low | 108 Ų | 108 | 107.5 Ų | 107.5 | 76% | 0.755 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 122.1 | 178.2 | 45.5 | 0 | 0 | 0 | 0 | 112.8 | T589 | S587-T589 PolarHBondContact O-N 3.49Å; S587-T589 VanDerWaalsContact O-N 3.16Å |
| 588 | N | 28 | Very low | 49 | Very low | 160 Ų | 160 | 104.4 Ų | 104.4 | 86% | 0.856 | 62% | 0.617 | S | S | * | * | trans | -64.6 | 103.1 | 170.5 | -83.8 | -13.9 | 0 | 0 | 0 | 111.4 | S586 A590 | S586-N588 PolarHBondContact O-N 3.31Å; N588-A590 PolarHBondContact O-N 3.19Å | ||
| 589 | T | 33.8 | Very low | 51.7 | Low | 133 Ų | 133 | 100.7 Ų | 100.7 | 82% | 0.816 | 59% | 0.594 | S | S | * | * | trans | -79.3 | 103.6 | 147.4 | 33.7 | 0 | 0 | 0 | 0 | 107.3 | S587 C591 | S587-T589 PolarHBondContact O-N 3.49Å; S587-T589 VanDerWaalsContact O-N 3.16Å; T589-C591 PolarHBondContact O-N 3.18Å | ||
| 590 | A | 51.4 | Low | 54.4 | Low | 86 Ų | 86 | 93.5 Ų | 93.5 | 71% | 0.711 | 56% | 0.563 | S | S | * | * | trans | -68.2 | 116 | 179 | 0 | 0 | 0 | 0 | 0 | 109.8 | N588 | N588-A590 PolarHBondContact O-N 3.19Š| ||
| 591 | C | 62.2 | Low | 57 | Low | 58 Ų | 58 | 94.3 Ų | 94.3 | 39% | 0.392 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 146.1 | 171.7 | -68.9 | 0 | 0 | 0 | 0 | 110.8 | T589 K593 E623 L624 | T589-C591 PolarHBondContact O-N 3.18Å; C591-K593 PolarHBondContact O-N 2.81Å; C591-E623 HydrophobicContact CB-CG 3.72Å; C591-L624 VanDerWaalsContact CB-O 3.25Å; C591-L624 WeakPolarHBondContact CB-O 3.48Å |
| 592 | P | 73.6 | Confident | 59 | Low | 87 Ų | 87 | 87 Ų | 87 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -59 | 135.2 | 179.6 | -19.4 | 30.2 | 0 | 0 | 0 | 111.2 | L624 | P592-L624 HydrophobicContact CB-CD1 4.33Å; P592-L624 PolarHBondContact O-N 3.49Å |
| 593 | K | 81.3 | Confident | 61.1 | Low | 77 Ų | 77 | 80.7 Ų | 80.7 | 34% | 0.335 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 140.8 | 177.2 | -65.3 | -177.3 | -177.4 | -175.1 | 0 | 109.8 | C591 I621 I622 E623 L639 Y655 | C591-K593 PolarHBondContact O-N 2.81Å; K593-I621 HydrophobicContact CB-CG2 4.07Å; K593-I621 HydrophobicContact CD-CG2 4.37Å; K593-I622 CarbonylContact C-O 3.46Å; K593-I622 WeakPolarHBondContact CA-O 3.39Å; K593-E623 WeakPolarHBondContact CE-OE1 3.3Å; K593-L639 HydrophobicContact CD-CD1 4.03Å; K593-Y655 HydrophobicContact CB-CD1 3.9Å; K593-Y655 HydrophobicContact CB-CG 4.26Å; K593-Y655 HydrophobicContact CD-CD1 4.4Å; K593-Y655 VanDerWaalsContact O-CB 3.23Å; K593-Y655 WeakPolarHBondContact O-CB 3.46Å; K593-Y655 PolarHBondContact O-N 3.01Å |
| 594 | M | 82.8 | Confident | 63.1 | Low | 18 Ų | 18 | 79.7 Ų | 79.7 | 9% | 0.089 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 148.8 | 178.1 | -51.3 | -62.2 | -94.6 | 0 | 0 | 109.5 | I621 I622 L624 W634 V652 Q653 P654 | M594-I621 CarbonylContact O-C 3.15Å; M594-I621 VanDerWaalsContact O-CA 3.31Å; M594-I621 WeakPolarHBondContact O-CA 3.47Å; M594-I622 PolarHBondContact N-O 3.38Å; M594-I622 PolarHBondContact O-N 3.22Å; M594-L624 HydrophobicContact CE-CD1 4.46Å; M594-L624 HydrophobicContact CG-CD1 3.55Å; M594-L624 HydrophobicContact CG-CD2 3.93Å; M594-L624 HydrophobicContact CG-CG 3.64Å; M594-L624 HydrophobicContact SD-CD1 4.04Å; M594-W634 HydrophobicContact CE-CH2 4.01Å; M594-W634 HydrophobicContact CE-CZ3 3.48Å; M594-W634 VanDerWaalsContact CE-CZ3 3.48Å; M594-V652 HydrophobicContact CB-CB 3.75Å; M594-V652 HydrophobicContact CB-CG2 3.76Å; M594-V652 HydrophobicContact CE-CG2 4.09Å; M594-V652 HydrophobicContact CG-CG2 4.02Å; M594-Q653 CarbonylContact C-O 3.53Å; M594-Q653 WeakPolarHBondContact CA-O 3.34Å; M594-Q653 WeakPolarHBondContact CB-O 3.37Å; M594-P654 HydrophobicContact CE-CG 4.22Å; M594-P654 HydrophobicContact SD-CB 4.43Å; M594-P654 HydrophobicContact SD-CG 4.48Å |
| 595 | E | 84.3 | Confident | 65.3 | Low | 54 Ų | 54 | 74.9 Ų | 74.9 | 25% | 0.252 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 135.8 | 171.7 | -176.6 | -179.5 | -155.7 | 0 | 0 | 109.5 | C597 D620 V652 Q653 Y655 | E595-C597 PolarHBondContact O-N 3.38Å; E595-D620 CarbonylContact C-O 3.52Å; E595-D620 WeakPolarHBondContact CA-O 3.23Å; E595-V652 CarbonylContact O-C 3.58Å; E595-V652 VanDerWaalsContact O-CA 3.23Å; E595-V652 WeakPolarHBondContact O-CA 3.38Å; E595-Q653 HydrophobicContact CB-CG 4.22Å; E595-Q653 PolarHBondContact N-O 3.28Å; E595-Q653 PolarHBondContact O-N 3.02Å; E595-Q653 PolarHBondContact OE2-NE2 3.12Å; E595-Y655 HydrophobicContact CB-CD2 4.43Å |
| 596 | V | 83.5 | Confident | 67.5 | Low | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.012 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 112.1 | 175.7 | 179 | 0 | 0 | 0 | 0 | 109.9 | Q598 L616 F617 G619 D620 I622 V652 | V596-Q598 VanDerWaalsContact CG1-O 3.23Å; V596-Q598 WeakPolarHBondContact CG1-O 3.41Å; V596-L616 HydrophobicContact CG1-CB 3.72Å; V596-L616 HydrophobicContact CG1-CD1 4.45Å; V596-L616 HydrophobicContact CG2-CB 3.91Å; V596-L616 HydrophobicContact CG2-CD1 4.31Å; V596-L616 HydrophobicContact CG2-CD2 3.99Å; V596-L616 HydrophobicContact CG2-CG 4.31Å; V596-F617 VanDerWaalsContact CB-O 3.27Å; V596-F617 WeakPolarHBondContact CB-O 2.9Å; V596-F617 VanDerWaalsContact CG1-O 3.32Å; V596-F617 WeakPolarHBondContact CG1-O 3.33Å; V596-G619 PolarHBondContact O-N 3.17Å; V596-D620 HydrophobicContact CB-CB 4.27Å; V596-D620 HydrophobicContact CG2-CB 3.7Å; V596-D620 PolarHBondContact N-O 3.11Å; V596-I622 HydrophobicContact CG2-CD1 3.98Å; V596-I622 HydrophobicContact CG2-CG1 3.72Å; V596-V652 HydrophobicContact CG2-CG1 4.12Å |
| 597 | C | 78.3 | Confident | 69.6 | Low | 49 Ų | 49 | 67 Ų | 67 | 33% | 0.331 | 38% | 0.383 | S | S | . | . | trans | -92.3 | -24.4 | 177 | 63.4 | 0 | 0 | 0 | 0 | 112.5 | E595 K651 Q653 | E595-C597 PolarHBondContact O-N 3.38Å; C597-K651 PolarHBondContact N-O 3.48Å; C597-K651 PolarHBondContact SG-O 2.81Å; C597-Q653 HydrophobicContact CB-CG 4.26Å | ||
| 598 | Q | 80.9 | Confident | 70.6 | Confident | 104 Ų | 104 | 62.1 Ų | 62.1 | 49% | 0.486 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -138.9 | 138.7 | 178.6 | -168.7 | 179.6 | 27.2 | 0 | 0 | 111.4 | V596 K651 | V596-Q598 VanDerWaalsContact CG1-O 3.23Å; V596-Q598 WeakPolarHBondContact CG1-O 3.41Å; Q598-K651 HydrophobicContact CB-CD 3.92Å; Q598-K651 HydrophobicContact CG-CD 4.1Å; Q598-K651 PolarHBondContact N-O 2.87Å |
| 599 | E | 85.3 | Confident | 71.7 | Confident | 90 Ų | 90 | 57.7 Ų | 57.7 | 42% | 0.421 | 34% | 0.341 | S | S | . | . | trans | -66.4 | 146.7 | -179.8 | -62.7 | 173.2 | 166.6 | 0 | 0 | 112.3 | Y601 L616 R618 | E599-Y601 HydrophobicContact CB-CE2 3.99Å; E599-Y601 PolarHBondContact OE2-OH 3.36Å; E599-L616 WeakPolarHBondContact CA-O 3.46Å; E599-R618 HydrophobicContact CG-CB 4.23Å | ||
| 600 | Y | 85.2 | Confident | 72.5 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -143.8 | 121.9 | 175.1 | 169.2 | -107.1 | 0 | 0 | 0 | 109.5 | G602 L603 P604 P613 L614 Q615 L616 W633 F647 P648 | Y600-G602 VanDerWaalsContact CZ-C 3.43Å; Y600-G602 VanDerWaalsContact OH-CA 3.28Å; Y600-G602 WeakPolarHBondContact OH-CA 3.31Å; Y600-G602 PolarHBondContact OH-O 3.18Å; Y600-L603 WeakPolarHBondContact CD2-O 3.42Å; Y600-L603 VanDerWaalsContact CE2-C 3.42Å; Y600-L603 VanDerWaalsContact CE2-N 3.27Å; Y600-L603 WeakPolarHBondContact CE2-O 3.35Å; Y600-P604 WeakPolarHBondContact CE2-O 3.38Å; Y600-P604 PolarHBondContact OH-O 2.99Å; Y600-P613 HydrophobicContact CE1-CB 4.29Å; Y600-L614 WeakPolarHBondContact CD1-O 3.29Å; Y600-L614 WeakPolarHBondContact CE1-O 3.33Å; Y600-Q615 CarbonylContact O-C 3.51Å; Y600-Q615 WeakPolarHBondContact O-CA 3.38Å; Y600-L616 HydrophobicContact CD1-CG 4.21Å; Y600-L616 PolarHBondContact N-O 3.25Å; Y600-L616 PolarHBondContact O-N 2.94Å; Y600-W633 HydrophobicContact CE1-CZ3 4.28Å; Y600-W633 AromaticContact CE2-CH2 3.94Å; Y600-W633 HydrophobicContact CE2-CH2 3.94Å; Y600-W633 HydrophobicContact CE2-CZ3 4.44Å; Y600-W633 AromaticContact CZ-CH2 3.64Å; Y600-W633 AromaticContact CZ-CZ3 3.77Å; Y600-W633 WeakPolarHBondContact OH-CH2 3.45Å; Y600-W633 VanDerWaalsContact OH-CZ3 3.32Å; Y600-W633 WeakPolarHBondContact OH-CZ3 3.47Å; Y600-F647 HydrophobicContact CD1-CB 3.93Å; Y600-F647 HydrophobicContact CE1-CB 4.08Å; Y600-P648 HydrophobicContact CD2-CG 3.96Å; Y600-P648 HydrophobicContact CE2-CG 3.89Å; Y600-P648 HydrophobicContact CG-CG 4.47Å |
| 601 | Y | 83.3 | Confident | 73.1 | Confident | 135 Ų | 135 | 52.1 Ų | 52.1 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | trans | -99.4 | 12 | -171.4 | -61.3 | -80 | 0 | 0 | 0 | 113.3 | E599 F617 | E599-Y601 HydrophobicContact CB-CE2 3.99Å; E599-Y601 PolarHBondContact OE2-OH 3.36Å; Y601-F617 HydrophobicContact CE1-CE1 4.22Å | ||
| 602 | G | 75 | Confident | 73.9 | Confident | 9 Ų | 9 | 57 Ų | 57 | 9% | 0.093 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 94.1 | 8.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y600 P604 P605 | Y600-G602 VanDerWaalsContact CZ-C 3.43Å; Y600-G602 VanDerWaalsContact OH-CA 3.28Å; Y600-G602 WeakPolarHBondContact OH-CA 3.31Å; Y600-G602 PolarHBondContact OH-O 3.18Å; G602-P604 CarbonylContact C-O 3.59Å; G602-P604 CarbonylContact O-C 3.59Å; G602-P605 WeakPolarHBondContact O-CA 3.38Å |
| 603 | L | 69.8 | Low | 74.5 | Confident | 105 Ų | 105 | 55.7 Ų | 55.7 | 55% | 0.55 | 31% | 0.31 | S | S | . | . | trans | -127.3 | 131.1 | 179.5 | -67.5 | 177.9 | 0 | 0 | 0 | 112.5 | Y600 | Y600-L603 WeakPolarHBondContact CD2-O 3.42Å; Y600-L603 VanDerWaalsContact CE2-C 3.42Å; Y600-L603 VanDerWaalsContact CE2-N 3.27Å; Y600-L603 WeakPolarHBondContact CE2-O 3.35Å | ||
| 604 | P | 70.6 | Confident | 74.7 | Confident | 88 Ų | 88 | 52 Ų | 52 | 57% | 0.571 | 29% | 0.294 | S | S | * | . | S | Bend | cis | -60.1 | 156.1 | -6.1 | 25.9 | -32.7 | 0 | 0 | 0 | 111.6 | Y600 G602 W633 | Y600-P604 WeakPolarHBondContact CE2-O 3.38Å; Y600-P604 PolarHBondContact OH-O 2.99Å; G602-P604 CarbonylContact C-O 3.59Å; G602-P604 CarbonylContact O-C 3.59Å; P604-W633 HydrophobicContact CG-CZ2 4.13Å; P604-W633 WeakPolarHBondContact O-CH2 3.21Å |
| 605 | P | 75.4 | Confident | 74.9 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 157.1 | 174.9 | 28.3 | -33.8 | 0 | 0 | 0 | 110.6 | G602 | G602-P605 WeakPolarHBondContact O-CA 3.38Š|
| 606 | P | 77.8 | Confident | 75 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.032 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 153.3 | 175.9 | -22.4 | 31.6 | 0 | 0 | 0 | 111.9 | Q386 F610 P613 W633 W646 | Q386-P606 PolarHBondContact NE2-O 3.43Å; Q386-P606 VanDerWaalsContact NE2-O 3.09Å; P606-F610 HydrophobicContact CB-CB 3.84Å; P606-P613 HydrophobicContact CG-CB 4.02Å; P606-W633 HydrophobicContact CB-CD2 4.47Å; P606-W633 HydrophobicContact CB-CE3 3.86Å; P606-W633 HydrophobicContact CB-CZ3 3.89Å; P606-W633 HydrophobicContact CG-CE3 4.06Å; P606-W633 HydrophobicContact CG-CH2 4.37Å; P606-W633 HydrophobicContact CG-CZ3 3.67Å; P606-W646 HydrophobicContact CB-CB 3.9Å; P606-W646 HydrophobicContact CG-CB 3.74Å |
| 607 | P | 72.1 | Confident | 74.9 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 14% | 0.143 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 159.2 | 172.6 | -17.6 | 29.6 | 0 | 0 | 0 | 111.4 | G609 F610 W633 | P607-G609 PolarHBondContact O-N 3.02Å; P607-F610 HydrophobicContact CB-CD2 3.68Å; P607-F610 HydrophobicContact CB-CE2 3.94Å; P607-F610 HydrophobicContact CG-CD2 4.06Å; P607-F610 HydrophobicContact CG-CE2 4.23Å; P607-F610 WeakPolarHBondContact O-CB 3.45Å; P607-F610 WeakPolarHBondContact O-CD2 3.4Å; P607-F610 PolarHBondContact O-N 3.44Å; P607-F610 VanDerWaalsContact O-N 3.16Å; P607-W633 HydrophobicContact CG-CD2 4.4Å; P607-W633 HydrophobicContact CG-CG 3.97Å |
| 608 | V | 48.2 | Very low | 74.7 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 130 | -175.7 | 170 | 0 | 0 | 0 | 0 | 110.1 | I379 I382 Q386 S395 A397 | I379-V608 HydrophobicContact CG2-CG1 4.16Å; I382-V608 HydrophobicContact CB-CG1 4.15Å; I382-V608 HydrophobicContact CB-CG2 4.29Å; I382-V608 HydrophobicContact CD1-CG1 4.44Å; I382-V608 HydrophobicContact CG2-CB 4.28Å; I382-V608 HydrophobicContact CG2-CG1 3.97Å; I382-V608 HydrophobicContact CG2-CG2 3.53Å; Q386-V608 VanDerWaalsContact OE1-CG2 3.3Å; S395-V608 VanDerWaalsContact OG-CG2 3.29Å; S395-V608 WeakPolarHBondContact OG-CG2 3.28Å; A397-V608 HydrophobicContact CB-CB 3.9Å; A397-V608 HydrophobicContact CB-CG1 3.2Å; A397-V608 HydrophobicContact CB-CG2 4Å |
| 609 | G | 50.6 | Low | 73.8 | Confident | 68 Ų | 68 | 59.9 Ų | 59.9 | 70% | 0.701 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.3 | -12.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | P607 | P607-G609 PolarHBondContact O-N 3.02Š|
| 610 | F | 51.4 | Low | 73.5 | Confident | 59 Ų | 59 | 56.4 Ų | 56.4 | 26% | 0.259 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -84.9 | 143.6 | 165.2 | -62.2 | -85.1 | 0 | 0 | 0 | 108.9 | P606 P607 L631 W646 | P606-F610 HydrophobicContact CB-CB 3.84Å; P607-F610 HydrophobicContact CB-CD2 3.68Å; P607-F610 HydrophobicContact CB-CE2 3.94Å; P607-F610 HydrophobicContact CG-CD2 4.06Å; P607-F610 HydrophobicContact CG-CE2 4.23Å; P607-F610 WeakPolarHBondContact O-CB 3.45Å; P607-F610 WeakPolarHBondContact O-CD2 3.4Å; P607-F610 PolarHBondContact O-N 3.44Å; P607-F610 VanDerWaalsContact O-N 3.16Å; F610-L631 HydrophobicContact CE1-CD1 4.09Å; F610-L631 HydrophobicContact CZ-CD1 3.93Å; F610-W646 HydrophobicContact CB-CB 4.45Å; F610-W646 HydrophobicContact CB-CD2 3.84Å; F610-W646 HydrophobicContact CB-CE3 4.31Å; F610-W646 HydrophobicContact CB-CG 3.88Å; F610-W646 AromaticContact CD1-CD2 3.48Å; F610-W646 HydrophobicContact CD1-CD2 3.48Å; F610-W646 VanDerWaalsContact CD1-CD2 3.48Å; F610-W646 AromaticContact CD1-CE2 3.6Å; F610-W646 AromaticContact CD1-CE3 3.24Å; F610-W646 HydrophobicContact CD1-CE3 3.24Å; F610-W646 HydrophobicContact CD1-CG 4.4Å; F610-W646 AromaticContact CD1-CH2 3.29Å; F610-W646 HydrophobicContact CD1-CH2 3.29Å; F610-W646 AromaticContact CD1-CZ2 3.51Å; F610-W646 HydrophobicContact CD1-CZ2 3.51Å; F610-W646 AromaticContact CD1-CZ3 3.16Å; F610-W646 HydrophobicContact CD1-CZ3 3.16Å; F610-W646 HydrophobicContact CE1-CD2 4.43Å; F610-W646 AromaticContact CE1-CE3 3.81Å; F610-W646 HydrophobicContact CE1-CE3 3.81Å; F610-W646 AromaticContact CE1-CH2 3.42Å; F610-W646 HydrophobicContact CE1-CH2 3.42Å; F610-W646 VanDerWaalsContact CE1-CH2 3.42Å; F610-W646 HydrophobicContact CE1-CZ2 4.09Å; F610-W646 AromaticContact CE1-CZ3 3.28Å; F610-W646 HydrophobicContact CE1-CZ3 3.28Å; F610-W646 HydrophobicContact CG-CD2 4.1Å; F610-W646 HydrophobicContact CG-CE3 4.11Å; F610-W646 HydrophobicContact CG-CZ3 4.37Å |
| 611 | G | 64.6 | Low | 73.3 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 44% | 0.443 | 31% | 0.312 | S | S | . | . | trans | -66.6 | -160.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 612 | Q | 77.2 | Confident | 73.4 | Confident | 160 Ų | 160 | 51.7 Ų | 51.7 | 75% | 0.748 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -61.4 | 146.7 | -178.7 | -65.4 | -174.1 | -1.8 | 0 | 0 | 112.5 | L614 G645 W646 | Q612-L614 PolarHBondContact O-N 3.01Å; Q612-G645 CarbonylContact O-C 3.6Å; Q612-G645 WeakPolarHBondContact O-CA 3.37Å; Q612-W646 PolarHBondContact O-N 3.47Å |
| 613 | P | 86.2 | Confident | 73.8 | Confident | 59 Ų | 59 | 53.4 Ų | 53.4 | 38% | 0.383 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -61.6 | 135.6 | 172.6 | 20.1 | -28.2 | 0 | 0 | 0 | 111.5 | Y600 P606 W646 | Y600-P613 HydrophobicContact CE1-CB 4.29Å; P606-P613 HydrophobicContact CG-CB 4.02Å; P613-W646 CarbonylContact C-O 3.59Å; P613-W646 WeakPolarHBondContact CA-O 3.13Å |
| 614 | L | 86.8 | Confident | 74.5 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 119.5 | 168.8 | -175.5 | 65.5 | 0 | 0 | 0 | 109.8 | Y600 Q612 L616 I622 G636 N638 Q643 G645 W646 F647 | Y600-L614 WeakPolarHBondContact CD1-O 3.29Å; Y600-L614 WeakPolarHBondContact CE1-O 3.33Å; Q612-L614 PolarHBondContact O-N 3.01Å; L614-L616 HydrophobicContact CD2-CD2 3.95Å; L614-L616 HydrophobicContact CG-CD2 4.07Å; L614-I622 HydrophobicContact CD2-CD1 4.18Å; L614-I622 HydrophobicContact CD2-CG2 4.28Å; L614-G636 WeakPolarHBondContact CD2-O 3.45Å; L614-N638 HydrophobicContact CD1-CB 4.05Å; L614-N638 HydrophobicContact CD2-CB 4.2Å; L614-N638 HydrophobicContact CG-CB 4.48Å; L614-Q643 HydrophobicContact CD1-CB 3.7Å; L614-Q643 WeakPolarHBondContact CD1-O 3.21Å; L614-G645 VanDerWaalsContact CB-C 3.43Å; L614-W646 PolarHBondContact N-O 2.65Å; L614-F647 HydrophobicContact CB-CD1 4.18Å; L614-F647 HydrophobicContact CD2-CD1 3.75Å; L614-F647 HydrophobicContact CD2-CE1 4.04Å |
| 615 | Q | 85.8 | Confident | 74.8 | Confident | 89 Ų | 89 | 47.8 Ų | 47.8 | 42% | 0.416 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 133.6 | 172.2 | -65.1 | -177.9 | -5 | 0 | 0 | 110.2 | Y600 F617 | Y600-Q615 CarbonylContact O-C 3.51Å; Y600-Q615 WeakPolarHBondContact O-CA 3.38Å; Q615-F617 HydrophobicContact CB-CE2 4.22Å |
| 616 | L | 86 | Confident | 74.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -116.4 | 123 | -179.7 | -55 | -176.7 | 0 | 0 | 0 | 110.2 | V596 E599 Y600 L614 I622 F647 K651 V652 | V596-L616 HydrophobicContact CG1-CB 3.72Å; V596-L616 HydrophobicContact CG1-CD1 4.45Å; V596-L616 HydrophobicContact CG2-CB 3.91Å; V596-L616 HydrophobicContact CG2-CD1 4.31Å; V596-L616 HydrophobicContact CG2-CD2 3.99Å; V596-L616 HydrophobicContact CG2-CG 4.31Å; E599-L616 WeakPolarHBondContact CA-O 3.46Å; Y600-L616 HydrophobicContact CD1-CG 4.21Å; Y600-L616 PolarHBondContact N-O 3.25Å; Y600-L616 PolarHBondContact O-N 2.94Å; L614-L616 HydrophobicContact CD2-CD2 3.95Å; L614-L616 HydrophobicContact CG-CD2 4.07Å; L616-I622 HydrophobicContact CD2-CD1 3.71Å; L616-I622 HydrophobicContact CD2-CG1 3.95Å; L616-F647 HydrophobicContact CD1-CB 3.66Å; L616-F647 HydrophobicContact CD1-CD2 3.62Å; L616-F647 HydrophobicContact CD1-CE2 4.46Å; L616-F647 HydrophobicContact CD1-CG 3.72Å; L616-F647 HydrophobicContact CD2-CB 4.16Å; L616-F647 HydrophobicContact CD2-CD1 4.13Å; L616-F647 HydrophobicContact CD2-CD2 4.43Å; L616-F647 HydrophobicContact CD2-CG 3.97Å; L616-F647 HydrophobicContact CG-CB 3.94Å; L616-F647 HydrophobicContact CG-CG 4.17Å; L616-K651 HydrophobicContact CD1-CB 3.57Å; L616-K651 HydrophobicContact CD1-CG 4.37Å; L616-V652 HydrophobicContact CD1-CG1 3.99Å |
| 617 | F | 82.9 | Confident | 74.5 | Confident | 94 Ų | 94 | 57 Ų | 57 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | trans | -107.6 | 144 | 170.3 | -61 | -81.5 | 0 | 0 | 0 | 110.3 | V596 Y601 Q615 G619 D620 | V596-F617 VanDerWaalsContact CB-O 3.27Å; V596-F617 WeakPolarHBondContact CB-O 2.9Å; V596-F617 VanDerWaalsContact CG1-O 3.32Å; V596-F617 WeakPolarHBondContact CG1-O 3.33Å; Y601-F617 HydrophobicContact CE1-CE1 4.22Å; Q615-F617 HydrophobicContact CB-CE2 4.22Å; F617-G619 PolarHBondContact O-N 3.22Å; F617-D620 PolarHBondContact N-OD2 2.91Å; F617-D620 VanDerWaalsContact O-CB 3.31Å; F617-D620 WeakPolarHBondContact O-CB 3.21Å; F617-D620 PolarHBondContact O-N 3.11Å | ||
| 618 | R | 73.8 | Confident | 74.3 | Confident | 197 Ų | 197 | 57.8 Ų | 57.8 | 74% | 0.743 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 128 | -174.9 | -169.9 | 178.4 | -177.8 | -176.1 | 0.9 | 111.2 | E599 | E599-R618 HydrophobicContact CG-CB 4.23Š|
| 619 | G | 62.1 | Low | 74.5 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 12% | 0.124 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | 4.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V596 F617 R731 | V596-G619 PolarHBondContact O-N 3.17Å; F617-G619 PolarHBondContact O-N 3.22Å; G619-R731 PolarHBondContact O-NH2 3.29Å; G619-R731 VanDerWaalsContact O-NH2 3.14Å |
| 620 | D | 79.3 | Confident | 74.6 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | trans | -66.9 | 150.3 | 164.8 | -76.8 | -21.6 | 0 | 0 | 0 | 111.2 | E595 V596 F617 I622 N638 T640 | E595-D620 CarbonylContact C-O 3.52Å; E595-D620 WeakPolarHBondContact CA-O 3.23Å; V596-D620 HydrophobicContact CB-CB 4.27Å; V596-D620 HydrophobicContact CG2-CB 3.7Å; V596-D620 PolarHBondContact N-O 3.11Å; F617-D620 PolarHBondContact N-OD2 2.91Å; F617-D620 VanDerWaalsContact O-CB 3.31Å; F617-D620 WeakPolarHBondContact O-CB 3.21Å; F617-D620 PolarHBondContact O-N 3.11Å; D620-I622 HydrophobicContact CB-CD1 4.26Å; D620-N638 PolarHBondContact OD2-ND2 3.14Å; D620-T640 VanDerWaalsContact OD1-CB 3.23Å; D620-T640 WeakPolarHBondContact OD1-CB 3.43Å; D620-T640 PolarHBondContact OD1-OG1 2.91Å | ||
| 621 | I | 79.8 | Confident | 75.5 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 20% | 0.195 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.2 | 173.6 | -56 | 174 | 0 | 0 | 0 | 108.2 | K593 M594 L639 Y655 | K593-I621 HydrophobicContact CB-CG2 4.07Å; K593-I621 HydrophobicContact CD-CG2 4.37Å; M594-I621 CarbonylContact O-C 3.15Å; M594-I621 VanDerWaalsContact O-CA 3.31Å; M594-I621 WeakPolarHBondContact O-CA 3.47Å; I621-L639 HydrophobicContact CB-CD1 4.45Å; I621-L639 HydrophobicContact CG2-CD1 3.94Å; I621-L639 WeakPolarHBondContact O-CB 3.17Å; I621-L639 PolarHBondContact O-N 3.1Å; I621-Y655 HydrophobicContact CD1-CD2 4.02Å; I621-Y655 HydrophobicContact CD1-CE1 4.37Å; I621-Y655 HydrophobicContact CD1-CE2 3.53Å; I621-Y655 HydrophobicContact CG1-CD2 4.2Å; I621-Y655 HydrophobicContact CG1-CE2 4.18Å; I621-Y655 HydrophobicContact CG2-CD1 4.48Å; I621-Y655 HydrophobicContact CG2-CD2 4.5Å; I621-Y655 HydrophobicContact CG2-CG 4.27Å |
| 622 | I | 84.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 121.5 | 179.5 | -48.1 | -54.7 | 0 | 0 | 0 | 109 | K593 M594 V596 L614 L616 D620 R637 N638 F647 V652 | K593-I622 CarbonylContact C-O 3.46Å; K593-I622 WeakPolarHBondContact CA-O 3.39Å; M594-I622 PolarHBondContact N-O 3.38Å; M594-I622 PolarHBondContact O-N 3.22Å; V596-I622 HydrophobicContact CG2-CD1 3.98Å; V596-I622 HydrophobicContact CG2-CG1 3.72Å; L614-I622 HydrophobicContact CD2-CD1 4.18Å; L614-I622 HydrophobicContact CD2-CG2 4.28Å; L616-I622 HydrophobicContact CD2-CD1 3.71Å; L616-I622 HydrophobicContact CD2-CG1 3.95Å; D620-I622 HydrophobicContact CB-CD1 4.26Å; I622-R637 CarbonylContact C-O 3.58Å; I622-R637 WeakPolarHBondContact CA-O 3.44Å; I622-N638 HydrophobicContact CD1-CB 3.67Å; I622-F647 HydrophobicContact CB-CZ 4.29Å; I622-F647 HydrophobicContact CG2-CE1 3.51Å; I622-F647 HydrophobicContact CG2-CZ 3.62Å; I622-V652 HydrophobicContact CG1-CG1 4.33Å |
| 623 | E | 85.2 | Confident | 76.8 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 116.4 | 168 | -176 | 170.7 | -99.3 | 0 | 0 | 108.5 | C591 K593 T625 G636 R637 L639 | C591-E623 HydrophobicContact CB-CG 3.72Å; K593-E623 WeakPolarHBondContact CE-OE1 3.3Å; E623-T625 PolarHBondContact O-N 2.58Å; E623-G636 CarbonylContact O-C 3.6Å; E623-G636 WeakPolarHBondContact O-CA 3.49Å; E623-R637 PolarHBondContact N-O 2.65Å; E623-R637 PolarHBondContact O-N 3.46Å; E623-L639 HydrophobicContact CB-CD1 4.15Å; E623-L639 HydrophobicContact CB-CD2 3.83Å; E623-L639 HydrophobicContact CB-CG 4.02Å |
| 624 | L | 82.9 | Confident | 76.9 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 119.3 | -177.3 | -64.9 | 179.9 | 0 | 0 | 0 | 109.9 | C591 P592 M594 A627 W634 F647 | C591-L624 VanDerWaalsContact CB-O 3.25Å; C591-L624 WeakPolarHBondContact CB-O 3.48Å; P592-L624 HydrophobicContact CB-CD1 4.33Å; P592-L624 PolarHBondContact O-N 3.49Å; M594-L624 HydrophobicContact CE-CD1 4.46Å; M594-L624 HydrophobicContact CG-CD1 3.55Å; M594-L624 HydrophobicContact CG-CD2 3.93Å; M594-L624 HydrophobicContact CG-CG 3.64Å; M594-L624 HydrophobicContact SD-CD1 4.04Å; L624-A627 HydrophobicContact CB-CB 4.24Å; L624-A627 HydrophobicContact CD1-CB 3.75Å; L624-A627 HydrophobicContact CD2-CB 4.34Å; L624-A627 HydrophobicContact CG-CB 4.34Å; L624-W634 HydrophobicContact CD1-CE3 4.12Å; L624-W634 HydrophobicContact CD1-CZ3 4.37Å; L624-W634 HydrophobicContact CD2-CB 4.2Å; L624-W634 HydrophobicContact CD2-CE3 3.95Å; L624-F647 HydrophobicContact CD2-CZ 3.7Å |
| 625 | T | 78.5 | Confident | 77 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 37% | 0.368 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -30.4 | 174.2 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | E623 E635 R637 | E623-T625 PolarHBondContact O-N 2.58Å; T625-E635 PolarHBondContact N-O 3.38Å; T625-E635 WeakPolarHBondContact OG1-CG 3.19Å; T625-E635 PolarHBondContact OG1-O 3.16Å; T625-E635 PolarHBondContact OG1-OE2 2.81Å; T625-R637 HydrophobicContact CG2-CB 4.39Å |
| 626 | R | 74.6 | Confident | 77 | Confident | 161 Ų | 161 | 56.4 Ų | 56.4 | 61% | 0.608 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 111.4 | 178.3 | -146.1 | 170.5 | -176.8 | 179.2 | 2.2 | 110 | W634 E635 W646 | R626-W634 CarbonylContact O-C 3.58Å; R626-E635 HydrophobicContact CB-CB 3.7Å; R626-E635 PolarHBondContact N-O 2.83Å; R626-E635 VanDerWaalsContact N-O 3.14Å; R626-E635 PolarHBondContact O-N 3.32Å; R626-W646 HydrophobicContact CB-CH2 3.97Å; R626-W646 HydrophobicContact CB-CZ2 4.38Å; R626-W646 HydrophobicContact CG-CH2 4.16Å |
| 627 | A | 70.9 | Confident | 76.8 | Confident | 51 Ų | 51 | 61.6 Ų | 61.6 | 42% | 0.421 | 30% | 0.303 | S | S | . | . | trans | -142.4 | 135.6 | -178 | 0 | 0 | 0 | 0 | 0 | 110.4 | L624 W634 | L624-A627 HydrophobicContact CB-CB 4.24Å; L624-A627 HydrophobicContact CD1-CB 3.75Å; L624-A627 HydrophobicContact CD2-CB 4.34Å; L624-A627 HydrophobicContact CG-CB 4.34Å; A627-W634 HydrophobicContact CB-CB 4.04Å; A627-W634 HydrophobicContact CB-CD2 3.77Å; A627-W634 HydrophobicContact CB-CE3 4.45Å; A627-W634 HydrophobicContact CB-CG 3.58Å | ||
| 628 | D | 68.1 | Low | 76.7 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | trans | -135.2 | 133.4 | -176.8 | -179.5 | -32.4 | 0 | 0 | 0 | 107.7 | H230 D630 L631 W634 | H230-D628 IonicContact CE1-OD1 2.8Å; H230-D628 PolarHBondContact CE1-OD1 2.9Å; H230-D628 VanDerWaalsContact CE1-OD1 3.25Å; H230-D628 IonicContact CE1-OD2 3.74Å; H230-D628 PolarHBondContact CE1-OD2 3.37Å; H230-D628 IonicContact NE2-OD1 3.83Å; H230-D628 PolarHBondContact NE2-OD1 3.45Å; H230-D628 IonicContact NE2-OD2 2.7Å; D628-D630 VanDerWaalsContact C-N 3.31Å; D628-D630 PolarHBondContact O-N 3.42Å; D628-D630 PolarHBondContact OD1-N 3.02Å; D628-L631 HydrophobicContact CB-CB 3.95Å; D628-L631 HydrophobicContact CB-CD1 3.75Å; D628-L631 HydrophobicContact CB-CG 3.73Å; D628-L631 PolarHBondContact O-N 3.3Å; D628-L631 VanDerWaalsContact O-O 3.08Å; D628-W634 PolarHBondContact O-NE1 3.04Å | ||
| 629 | V | 52.1 | Low | 76.5 | Confident | 124 Ų | 124 | 50.8 Ų | 50.8 | 75% | 0.752 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -71.9 | -27.8 | -173.4 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | L631 | V629-L631 VanDerWaalsContact C-N 3.34Š|
| 630 | D | 53.4 | Low | 76.3 | Confident | 97 Ų | 97 | 53.7 Ų | 53.7 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -82.4 | -15.8 | 175.4 | -74.9 | -43.4 | 0 | 0 | 0 | 111.7 | H292 K295 D628 | H292-D630 IonicContact CE1-OD2 2.85Å; K295-D630 IonicContact NZ-OD1 3.37Å; D628-D630 VanDerWaalsContact C-N 3.31Å; D628-D630 PolarHBondContact O-N 3.42Å; D628-D630 PolarHBondContact OD1-N 3.02Å |
| 631 | L | 69.7 | Low | 75.5 | Confident | 67 Ų | 67 | 55.6 Ų | 55.6 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | trans | -88.2 | 132.2 | 172.2 | -61.7 | -177.8 | 0 | 0 | 0 | 111.8 | F610 D628 V629 W633 | F610-L631 HydrophobicContact CE1-CD1 4.09Å; F610-L631 HydrophobicContact CZ-CD1 3.93Å; D628-L631 HydrophobicContact CB-CB 3.95Å; D628-L631 HydrophobicContact CB-CD1 3.75Å; D628-L631 HydrophobicContact CB-CG 3.73Å; D628-L631 PolarHBondContact O-N 3.3Å; D628-L631 VanDerWaalsContact O-O 3.08Å; V629-L631 VanDerWaalsContact C-N 3.34Å; L631-W633 PolarHBondContact O-N 3.07Å | ||
| 632 | S | 83 | Confident | 74.7 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 44% | 0.441 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -75.1 | -2.6 | 171.6 | 50.5 | 0 | 0 | 0 | 0 | 113.5 | P648 C649 | S632-P648 CarbonylContact O-C 3.56Å; S632-P648 VanDerWaalsContact O-CA 3.27Å; S632-P648 WeakPolarHBondContact O-CA 3.37Å; S632-C649 PolarHBondContact O-N 2.84Å; S632-C649 PolarHBondContact O-SG 2.79Å |
| 633 | W | 87.2 | Confident | 74 | Confident | 23 Ų | 23 | 61.3 Ų | 61.3 | 9% | 0.087 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129 | -174.1 | -74.7 | 82.4 | 0 | 0 | 0 | 111.5 | Y600 P604 P606 P607 L631 W646 F647 P648 | Y600-W633 HydrophobicContact CE1-CZ3 4.28Å; Y600-W633 AromaticContact CE2-CH2 3.94Å; Y600-W633 HydrophobicContact CE2-CH2 3.94Å; Y600-W633 HydrophobicContact CE2-CZ3 4.44Å; Y600-W633 AromaticContact CZ-CH2 3.64Å; Y600-W633 AromaticContact CZ-CZ3 3.77Å; Y600-W633 WeakPolarHBondContact OH-CH2 3.45Å; Y600-W633 VanDerWaalsContact OH-CZ3 3.32Å; Y600-W633 WeakPolarHBondContact OH-CZ3 3.47Å; P604-W633 HydrophobicContact CG-CZ2 4.13Å; P604-W633 WeakPolarHBondContact O-CH2 3.21Å; P606-W633 HydrophobicContact CB-CD2 4.47Å; P606-W633 HydrophobicContact CB-CE3 3.86Å; P606-W633 HydrophobicContact CB-CZ3 3.89Å; P606-W633 HydrophobicContact CG-CE3 4.06Å; P606-W633 HydrophobicContact CG-CH2 4.37Å; P606-W633 HydrophobicContact CG-CZ3 3.67Å; P607-W633 HydrophobicContact CG-CD2 4.4Å; P607-W633 HydrophobicContact CG-CG 3.97Å; L631-W633 PolarHBondContact O-N 3.07Å; W633-W646 HydrophobicContact CB-CE3 4.41Å; W633-W646 HydrophobicContact CE3-CB 4.29Å; W633-F647 WeakPolarHBondContact CA-O 3.22Å; W633-F647 VanDerWaalsContact CE3-C 3.42Å; W633-P648 HydrophobicContact CE3-CG 4.45Å; W633-P648 HydrophobicContact CH2-CG 3.67Å; W633-P648 HydrophobicContact CZ2-CG 3.89Å; W633-P648 HydrophobicContact CZ3-CG 4.01Å |
| 634 | W | 88.7 | Confident | 73.8 | Confident | 38 Ų | 38 | 62 Ų | 62 | 14% | 0.144 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 149 | 177.9 | -62.6 | -17.8 | 0 | 0 | 0 | 110.7 | M594 L624 R626 A627 D628 W646 F647 C649 V652 | M594-W634 HydrophobicContact CE-CH2 4.01Å; M594-W634 HydrophobicContact CE-CZ3 3.48Å; M594-W634 VanDerWaalsContact CE-CZ3 3.48Å; L624-W634 HydrophobicContact CD1-CE3 4.12Å; L624-W634 HydrophobicContact CD1-CZ3 4.37Å; L624-W634 HydrophobicContact CD2-CB 4.2Å; L624-W634 HydrophobicContact CD2-CE3 3.95Å; R626-W634 CarbonylContact O-C 3.58Å; A627-W634 HydrophobicContact CB-CB 4.04Å; A627-W634 HydrophobicContact CB-CD2 3.77Å; A627-W634 HydrophobicContact CB-CE3 4.45Å; A627-W634 HydrophobicContact CB-CG 3.58Å; D628-W634 PolarHBondContact O-NE1 3.04Å; W634-W646 CarbonylContact O-C 3.57Å; W634-W646 WeakPolarHBondContact O-CA 3.05Å; W634-F647 HydrophobicContact CB-CE2 4.26Å; W634-F647 HydrophobicContact CB-CZ 4.13Å; W634-F647 HydrophobicContact CE3-CE2 4.44Å; W634-F647 PolarHBondContact N-O 2.95Å; W634-F647 WeakPolarHBondContact O-CD1 3.36Å; W634-F647 PolarHBondContact O-N 3.38Å; W634-C649 HydrophobicContact CD2-CB 3.3Å; W634-C649 HydrophobicContact CE3-CB 3.56Å; W634-C649 HydrophobicContact CG-CB 3.86Å; W634-C649 HydrophobicContact CH2-CB 3.77Å; W634-C649 HydrophobicContact CZ2-CB 3.53Å; W634-C649 HydrophobicContact CZ3-CB 3.76Å; W634-V652 HydrophobicContact CE3-CG2 3.93Å; W634-V652 HydrophobicContact CZ3-CG2 3.77Å |
| 635 | E | 88.3 | Confident | 73.9 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 21% | 0.206 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 138.2 | 167.9 | -159.3 | -176.4 | -123.6 | 0 | 0 | 109.5 | T625 R626 V644 G645 W646 | T625-E635 PolarHBondContact N-O 3.38Å; T625-E635 WeakPolarHBondContact OG1-CG 3.19Å; T625-E635 PolarHBondContact OG1-O 3.16Å; T625-E635 PolarHBondContact OG1-OE2 2.81Å; R626-E635 HydrophobicContact CB-CB 3.7Å; R626-E635 PolarHBondContact N-O 2.83Å; R626-E635 VanDerWaalsContact N-O 3.14Å; R626-E635 PolarHBondContact O-N 3.32Å; E635-V644 HydrophobicContact CG-CG1 4.22Å; E635-G645 WeakPolarHBondContact CA-O 3.13Å; E635-W646 HydrophobicContact CB-CD2 3.68Å; E635-W646 VanDerWaalsContact CB-CE2 3.49Å; E635-W646 HydrophobicContact CB-CE3 3.89Å; E635-W646 HydrophobicContact CB-CG 4.32Å; E635-W646 HydrophobicContact CB-CH2 3.81Å; E635-W646 HydrophobicContact CB-CZ2 3.59Å; E635-W646 HydrophobicContact CB-CZ3 3.94Å; E635-W646 HydrophobicContact CG-CD2 4.07Å; E635-W646 HydrophobicContact CG-CG 4.29Å; E635-W646 HydrophobicContact CG-CZ2 4.07Å; E635-W646 VanDerWaalsContact N-CE3 3.31Å; E635-W646 PolarHBondContact OE1-NE1 2.86Å |
| 636 | G | 84.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 166.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L614 E623 V644 G645 | L614-G636 WeakPolarHBondContact CD2-O 3.45Å; E623-G636 CarbonylContact O-C 3.6Å; E623-G636 WeakPolarHBondContact O-CA 3.49Å; G636-V644 WeakPolarHBondContact O-CA 3.43Å; G636-G645 PolarHBondContact N-O 3.43Å; G636-G645 PolarHBondContact O-N 3.05Å; G636-G645 VanDerWaalsContact O-N 3.15Å |
| 637 | R | 82.4 | Confident | 75.1 | Confident | 108 Ų | 108 | 51.4 Ų | 51.4 | 41% | 0.408 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.1 | 170.6 | -176.2 | -178 | -60.5 | -82.4 | -2.1 | 108 | I622 E623 T625 L639 Q643 V644 | I622-R637 CarbonylContact C-O 3.58Å; I622-R637 WeakPolarHBondContact CA-O 3.44Å; E623-R637 PolarHBondContact N-O 2.65Å; E623-R637 PolarHBondContact O-N 3.46Å; T625-R637 HydrophobicContact CG2-CB 4.39Å; R637-L639 HydrophobicContact CG-CD2 4.42Å; R637-L639 PolarHBondContact O-N 2.91Å; R637-L639 VanDerWaalsContact O-N 3.15Å; R637-Q643 CarbonylContact C-O 3.6Å; R637-Q643 WeakPolarHBondContact CA-O 3.41Å; R637-V644 HydrophobicContact CB-CG2 3.98Å; R637-V644 HydrophobicContact CG-CG2 3.91Å; R637-V644 VanDerWaalsContact CZ-CG2 3.49Å |
| 638 | N | 81.6 | Confident | 75.9 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 112.4 | 167.5 | -171.8 | -32.7 | 0 | 0 | 0 | 108.2 | L614 D620 I622 T640 A641 G642 Q643 | L614-N638 HydrophobicContact CD1-CB 4.05Å; L614-N638 HydrophobicContact CD2-CB 4.2Å; L614-N638 HydrophobicContact CG-CB 4.48Å; D620-N638 PolarHBondContact OD2-ND2 3.14Å; I622-N638 HydrophobicContact CD1-CB 3.67Å; N638-T640 VanDerWaalsContact C-N 3.27Å; N638-T640 PolarHBondContact O-N 3.22Å; N638-T640 WeakPolarHBondContact OD1-CA 3.42Å; N638-T640 VanDerWaalsContact OD1-CB 3.24Å; N638-T640 WeakPolarHBondContact OD1-CB 3.43Å; N638-T640 PolarHBondContact OD1-N 2.77Å; N638-T640 PolarHBondContact OD1-OG1 3.03Å; N638-A641 HydrophobicContact CB-CB 4.19Å; N638-A641 PolarHBondContact OD1-N 3.08Å; N638-G642 WeakPolarHBondContact O-CA 3.4Å; N638-G642 PolarHBondContact O-N 3.02Å; N638-Q643 PolarHBondContact N-O 3.49Å |
| 639 | L | 68.8 | Low | 76.8 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 34% | 0.335 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -20.8 | -179.6 | -61.3 | -177.2 | 0 | 0 | 0 | 112.2 | K593 I621 E623 R637 | K593-L639 HydrophobicContact CD-CD1 4.03Å; I621-L639 HydrophobicContact CB-CD1 4.45Å; I621-L639 HydrophobicContact CG2-CD1 3.94Å; I621-L639 WeakPolarHBondContact O-CB 3.17Å; I621-L639 PolarHBondContact O-N 3.1Å; E623-L639 HydrophobicContact CB-CD1 4.15Å; E623-L639 HydrophobicContact CB-CD2 3.83Å; E623-L639 HydrophobicContact CB-CG 4.02Å; R637-L639 HydrophobicContact CG-CD2 4.42Å; R637-L639 PolarHBondContact O-N 2.91Å; R637-L639 VanDerWaalsContact O-N 3.15Å |
| 640 | T | 58.1 | Low | 78.5 | Confident | 73 Ų | 73 | 48.5 Ų | 48.5 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -46 | 174.1 | -43.3 | 0 | 0 | 0 | 0 | 111.3 | D620 N638 | D620-T640 VanDerWaalsContact OD1-CB 3.23Å; D620-T640 WeakPolarHBondContact OD1-CB 3.43Å; D620-T640 PolarHBondContact OD1-OG1 2.91Å; N638-T640 VanDerWaalsContact C-N 3.27Å; N638-T640 PolarHBondContact O-N 3.22Å; N638-T640 WeakPolarHBondContact OD1-CA 3.42Å; N638-T640 VanDerWaalsContact OD1-CB 3.24Å; N638-T640 WeakPolarHBondContact OD1-CB 3.43Å; N638-T640 PolarHBondContact OD1-N 2.77Å; N638-T640 PolarHBondContact OD1-OG1 3.03Å |
| 641 | A | 62.9 | Low | 80 | Confident | 56 Ų | 56 | 46 Ų | 46 | 46% | 0.463 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -12 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N638 Q643 | N638-A641 HydrophobicContact CB-CB 4.19Å; N638-A641 PolarHBondContact OD1-N 3.08Å; A641-Q643 HydrophobicContact CB-CG 4.39Å; A641-Q643 PolarHBondContact O-N 3.45Å |
| 642 | G | 63.3 | Low | 80.8 | Confident | 50 Ų | 50 | 43.3 Ų | 43.3 | 52% | 0.515 | 24% | 0.239 | S | C | . | . | trans | 71.7 | -0.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N638 | N638-G642 WeakPolarHBondContact O-CA 3.4Å; N638-G642 PolarHBondContact O-N 3.02Å | ||
| 643 | Q | 69.8 | Low | 80.7 | Confident | 108 Ų | 108 | 44.6 Ų | 44.6 | 51% | 0.505 | 24% | 0.238 | S | C | . | . | trans | -82.6 | 148.2 | -176.8 | -65.9 | 178.5 | -6.7 | 0 | 0 | 111.7 | L614 R637 N638 A641 | L614-Q643 HydrophobicContact CD1-CB 3.7Å; L614-Q643 WeakPolarHBondContact CD1-O 3.21Å; R637-Q643 CarbonylContact C-O 3.6Å; R637-Q643 WeakPolarHBondContact CA-O 3.41Å; N638-Q643 PolarHBondContact N-O 3.49Å; A641-Q643 HydrophobicContact CB-CG 4.39Å; A641-Q643 PolarHBondContact O-N 3.45Å | ||
| 644 | V | 81.6 | Confident | 80.1 | Confident | 61 Ų | 61 | 48 Ų | 48 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.7 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | E635 G636 R637 | E635-V644 HydrophobicContact CG-CG1 4.22Å; G636-V644 WeakPolarHBondContact O-CA 3.43Å; R637-V644 HydrophobicContact CB-CG2 3.98Å; R637-V644 HydrophobicContact CG-CG2 3.91Å; R637-V644 VanDerWaalsContact CZ-CG2 3.49Å |
| 645 | G | 83.4 | Confident | 79.1 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.6 | -172.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q612 L614 E635 G636 | Q612-G645 CarbonylContact O-C 3.6Å; Q612-G645 WeakPolarHBondContact O-CA 3.37Å; L614-G645 VanDerWaalsContact CB-C 3.43Å; E635-G645 WeakPolarHBondContact CA-O 3.13Å; G636-G645 PolarHBondContact N-O 3.43Å; G636-G645 PolarHBondContact O-N 3.05Å; G636-G645 VanDerWaalsContact O-N 3.15Å |
| 646 | W | 89.1 | Confident | 77.7 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 4% | 0.038 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 140.4 | -171.5 | -68.2 | 80.1 | 0 | 0 | 0 | 112.6 | P606 F610 Q612 P613 L614 R626 W633 W634 E635 | P606-W646 HydrophobicContact CB-CB 3.9Å; P606-W646 HydrophobicContact CG-CB 3.74Å; F610-W646 HydrophobicContact CB-CB 4.45Å; F610-W646 HydrophobicContact CB-CD2 3.84Å; F610-W646 HydrophobicContact CB-CE3 4.31Å; F610-W646 HydrophobicContact CB-CG 3.88Å; F610-W646 AromaticContact CD1-CD2 3.48Å; F610-W646 HydrophobicContact CD1-CD2 3.48Å; F610-W646 VanDerWaalsContact CD1-CD2 3.48Å; F610-W646 AromaticContact CD1-CE2 3.6Å; F610-W646 AromaticContact CD1-CE3 3.24Å; F610-W646 HydrophobicContact CD1-CE3 3.24Å; F610-W646 HydrophobicContact CD1-CG 4.4Å; F610-W646 AromaticContact CD1-CH2 3.29Å; F610-W646 HydrophobicContact CD1-CH2 3.29Å; F610-W646 AromaticContact CD1-CZ2 3.51Å; F610-W646 HydrophobicContact CD1-CZ2 3.51Å; F610-W646 AromaticContact CD1-CZ3 3.16Å; F610-W646 HydrophobicContact CD1-CZ3 3.16Å; F610-W646 HydrophobicContact CE1-CD2 4.43Å; F610-W646 AromaticContact CE1-CE3 3.81Å; F610-W646 HydrophobicContact CE1-CE3 3.81Å; F610-W646 AromaticContact CE1-CH2 3.42Å; F610-W646 HydrophobicContact CE1-CH2 3.42Å; F610-W646 VanDerWaalsContact CE1-CH2 3.42Å; F610-W646 HydrophobicContact CE1-CZ2 4.09Å; F610-W646 AromaticContact CE1-CZ3 3.28Å; F610-W646 HydrophobicContact CE1-CZ3 3.28Å; F610-W646 HydrophobicContact CG-CD2 4.1Å; F610-W646 HydrophobicContact CG-CE3 4.11Å; F610-W646 HydrophobicContact CG-CZ3 4.37Å; Q612-W646 PolarHBondContact O-N 3.47Å; P613-W646 CarbonylContact C-O 3.59Å; P613-W646 WeakPolarHBondContact CA-O 3.13Å; L614-W646 PolarHBondContact N-O 2.65Å; R626-W646 HydrophobicContact CB-CH2 3.97Å; R626-W646 HydrophobicContact CB-CZ2 4.38Å; R626-W646 HydrophobicContact CG-CH2 4.16Å; W633-W646 HydrophobicContact CB-CE3 4.41Å; W633-W646 HydrophobicContact CE3-CB 4.29Å; W634-W646 CarbonylContact O-C 3.57Å; W634-W646 WeakPolarHBondContact O-CA 3.05Å; E635-W646 HydrophobicContact CB-CD2 3.68Å; E635-W646 VanDerWaalsContact CB-CE2 3.49Å; E635-W646 HydrophobicContact CB-CE3 3.89Å; E635-W646 HydrophobicContact CB-CG 4.32Å; E635-W646 HydrophobicContact CB-CH2 3.81Å; E635-W646 HydrophobicContact CB-CZ2 3.59Å; E635-W646 HydrophobicContact CB-CZ3 3.94Å; E635-W646 HydrophobicContact CG-CD2 4.07Å; E635-W646 HydrophobicContact CG-CG 4.29Å; E635-W646 HydrophobicContact CG-CZ2 4.07Å; E635-W646 VanDerWaalsContact N-CE3 3.31Å; E635-W646 PolarHBondContact OE1-NE1 2.86Å |
| 647 | F | 89.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 157 | -179.8 | 60.5 | -88.5 | 0 | 0 | 0 | 111.7 | Y600 L614 L616 I622 L624 W633 W634 C649 V652 | Y600-F647 HydrophobicContact CD1-CB 3.93Å; Y600-F647 HydrophobicContact CE1-CB 4.08Å; L614-F647 HydrophobicContact CB-CD1 4.18Å; L614-F647 HydrophobicContact CD2-CD1 3.75Å; L614-F647 HydrophobicContact CD2-CE1 4.04Å; L616-F647 HydrophobicContact CD1-CB 3.66Å; L616-F647 HydrophobicContact CD1-CD2 3.62Å; L616-F647 HydrophobicContact CD1-CE2 4.46Å; L616-F647 HydrophobicContact CD1-CG 3.72Å; L616-F647 HydrophobicContact CD2-CB 4.16Å; L616-F647 HydrophobicContact CD2-CD1 4.13Å; L616-F647 HydrophobicContact CD2-CD2 4.43Å; L616-F647 HydrophobicContact CD2-CG 3.97Å; L616-F647 HydrophobicContact CG-CB 3.94Å; L616-F647 HydrophobicContact CG-CG 4.17Å; I622-F647 HydrophobicContact CB-CZ 4.29Å; I622-F647 HydrophobicContact CG2-CE1 3.51Å; I622-F647 HydrophobicContact CG2-CZ 3.62Å; L624-F647 HydrophobicContact CD2-CZ 3.7Å; W633-F647 WeakPolarHBondContact CA-O 3.22Å; W633-F647 VanDerWaalsContact CE3-C 3.42Å; W634-F647 HydrophobicContact CB-CE2 4.26Å; W634-F647 HydrophobicContact CB-CZ 4.13Å; W634-F647 HydrophobicContact CE3-CE2 4.44Å; W634-F647 PolarHBondContact N-O 2.95Å; W634-F647 WeakPolarHBondContact O-CD1 3.36Å; W634-F647 PolarHBondContact O-N 3.38Å; F647-C649 PolarHBondContact O-N 3.11Å; F647-V652 HydrophobicContact CD2-CG1 3.94Å; F647-V652 HydrophobicContact CE2-CB 4.23Å; F647-V652 HydrophobicContact CE2-CG1 3.46Å; F647-V652 VanDerWaalsContact CE2-CG1 3.46Å; F647-V652 HydrophobicContact CE2-CG2 3.68Å; F647-V652 HydrophobicContact CZ-CG1 4.22Å; F647-V652 HydrophobicContact CZ-CG2 4.44Å |
| 648 | P | 88.3 | Confident | 74.1 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 5% | 0.052 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 132 | 178.5 | -14.2 | 26.6 | 0 | 0 | 0 | 111.7 | Y600 S632 W633 Q650 K651 | Y600-P648 HydrophobicContact CD2-CG 3.96Å; Y600-P648 HydrophobicContact CE2-CG 3.89Å; Y600-P648 HydrophobicContact CG-CG 4.47Å; S632-P648 CarbonylContact O-C 3.56Å; S632-P648 VanDerWaalsContact O-CA 3.27Å; S632-P648 WeakPolarHBondContact O-CA 3.37Å; W633-P648 HydrophobicContact CE3-CG 4.45Å; W633-P648 HydrophobicContact CH2-CG 3.67Å; W633-P648 HydrophobicContact CZ2-CG 3.89Å; W633-P648 HydrophobicContact CZ3-CG 4.01Å; P648-Q650 PolarHBondContact O-N 3.38Å; P648-Q650 VanDerWaalsContact O-N 3.13Å; P648-K651 HydrophobicContact CB-CG 4.01Å; P648-K651 HydrophobicContact CG-CG 4.14Å; P648-K651 WeakPolarHBondContact O-CB 3.37Å; P648-K651 WeakPolarHBondContact O-CG 3.26Å; P648-K651 PolarHBondContact O-N 3.28Å |
| 649 | C | 86.3 | Confident | 72 | Confident | 21 Ų | 21 | 70.1 Ų | 70.1 | 14% | 0.142 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -60.1 | -29.1 | -174.5 | 64.5 | 0 | 0 | 0 | 0 | 113.5 | S632 W634 F647 K651 V652 | S632-C649 PolarHBondContact O-N 2.84Å; S632-C649 PolarHBondContact O-SG 2.79Å; W634-C649 HydrophobicContact CD2-CB 3.3Å; W634-C649 HydrophobicContact CE3-CB 3.56Å; W634-C649 HydrophobicContact CG-CB 3.86Å; W634-C649 HydrophobicContact CH2-CB 3.77Å; W634-C649 HydrophobicContact CZ2-CB 3.53Å; W634-C649 HydrophobicContact CZ3-CB 3.76Å; F647-C649 PolarHBondContact O-N 3.11Å; C649-K651 PolarHBondContact O-N 2.86Å; C649-K651 VanDerWaalsContact O-N 3.12Å; C649-V652 WeakPolarHBondContact O-CG2 3.32Å; C649-V652 PolarHBondContact O-N 3.06Å |
| 650 | Q | 87.9 | Confident | 70.9 | Confident | 124 Ų | 124 | 73.5 Ų | 73.5 | 58% | 0.579 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -70.1 | -7.2 | 179.5 | -49.8 | 94.5 | 12 | 0 | 0 | 113.8 | P648 V652 | P648-Q650 PolarHBondContact O-N 3.38Å; P648-Q650 VanDerWaalsContact O-N 3.13Å; Q650-V652 VanDerWaalsContact C-N 3.33Å |
| 651 | K | 86.1 | Confident | 70.9 | Confident | 43 Ų | 43 | 73.4 Ų | 73.4 | 19% | 0.187 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -85.9 | -6.8 | -180 | -56.9 | -62.6 | 175.4 | -178.5 | 0 | 113.5 | C597 Q598 L616 P648 C649 | C597-K651 PolarHBondContact N-O 3.48Å; C597-K651 PolarHBondContact SG-O 2.81Å; Q598-K651 HydrophobicContact CB-CD 3.92Å; Q598-K651 HydrophobicContact CG-CD 4.1Å; Q598-K651 PolarHBondContact N-O 2.87Å; L616-K651 HydrophobicContact CD1-CB 3.57Å; L616-K651 HydrophobicContact CD1-CG 4.37Å; P648-K651 HydrophobicContact CB-CG 4.01Å; P648-K651 HydrophobicContact CG-CG 4.14Å; P648-K651 WeakPolarHBondContact O-CB 3.37Å; P648-K651 WeakPolarHBondContact O-CG 3.26Å; P648-K651 PolarHBondContact O-N 3.28Å; C649-K651 PolarHBondContact O-N 2.86Å; C649-K651 VanDerWaalsContact O-N 3.12Å |
| 652 | V | 85.8 | Confident | 71.1 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 7% | 0.073 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 158.1 | -175.8 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | M594 E595 V596 L616 I622 W634 F647 C649 Q650 | M594-V652 HydrophobicContact CB-CB 3.75Å; M594-V652 HydrophobicContact CB-CG2 3.76Å; M594-V652 HydrophobicContact CE-CG2 4.09Å; M594-V652 HydrophobicContact CG-CG2 4.02Å; E595-V652 CarbonylContact O-C 3.58Å; E595-V652 VanDerWaalsContact O-CA 3.23Å; E595-V652 WeakPolarHBondContact O-CA 3.38Å; V596-V652 HydrophobicContact CG2-CG1 4.12Å; L616-V652 HydrophobicContact CD1-CG1 3.99Å; I622-V652 HydrophobicContact CG1-CG1 4.33Å; W634-V652 HydrophobicContact CE3-CG2 3.93Å; W634-V652 HydrophobicContact CZ3-CG2 3.77Å; F647-V652 HydrophobicContact CD2-CG1 3.94Å; F647-V652 HydrophobicContact CE2-CB 4.23Å; F647-V652 HydrophobicContact CE2-CG1 3.46Å; F647-V652 VanDerWaalsContact CE2-CG1 3.46Å; F647-V652 HydrophobicContact CE2-CG2 3.68Å; F647-V652 HydrophobicContact CZ-CG1 4.22Å; F647-V652 HydrophobicContact CZ-CG2 4.44Å; C649-V652 WeakPolarHBondContact O-CG2 3.32Å; C649-V652 PolarHBondContact O-N 3.06Å; Q650-V652 VanDerWaalsContact C-N 3.33Å |
| 653 | Q | 79.8 | Confident | 71.7 | Confident | 89 Ų | 89 | 74.7 Ų | 74.7 | 42% | 0.416 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 156.1 | 177.2 | 65.6 | -177.1 | 9.1 | 0 | 0 | 110.8 | M594 E595 C597 Y655 | M594-Q653 CarbonylContact C-O 3.53Å; M594-Q653 WeakPolarHBondContact CA-O 3.34Å; M594-Q653 WeakPolarHBondContact CB-O 3.37Å; E595-Q653 HydrophobicContact CB-CG 4.22Å; E595-Q653 PolarHBondContact N-O 3.28Å; E595-Q653 PolarHBondContact O-N 3.02Å; E595-Q653 PolarHBondContact OE2-NE2 3.12Å; C597-Q653 HydrophobicContact CB-CG 4.26Å; Q653-Y655 PolarHBondContact O-N 2.91Å |
| 654 | P | 75.3 | Confident | 71.9 | Confident | 96 Ų | 96 | 72.6 Ų | 72.6 | 62% | 0.623 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 126 | 179.5 | -26.8 | 35.2 | 0 | 0 | 0 | 113.5 | M594 I656 | M594-P654 HydrophobicContact CE-CG 4.22Å; M594-P654 HydrophobicContact SD-CB 4.43Å; M594-P654 HydrophobicContact SD-CG 4.48Å; P654-I656 PolarHBondContact O-N 3.34Å |
| 655 | Y | 67.9 | Low | 71.6 | Confident | 88 Ų | 88 | 75.9 Ų | 75.9 | 35% | 0.345 | 41% | 0.407 | S | S | . | . | trans | -82.6 | 109.1 | 175.5 | 177.2 | -103.2 | 0 | 0 | 0 | 110.2 | K593 E595 I621 Q653 S657 | K593-Y655 HydrophobicContact CB-CD1 3.9Å; K593-Y655 HydrophobicContact CB-CG 4.26Å; K593-Y655 HydrophobicContact CD-CD1 4.4Å; K593-Y655 VanDerWaalsContact O-CB 3.23Å; K593-Y655 WeakPolarHBondContact O-CB 3.46Å; K593-Y655 PolarHBondContact O-N 3.01Å; E595-Y655 HydrophobicContact CB-CD2 4.43Å; I621-Y655 HydrophobicContact CD1-CD2 4.02Å; I621-Y655 HydrophobicContact CD1-CE1 4.37Å; I621-Y655 HydrophobicContact CD1-CE2 3.53Å; I621-Y655 HydrophobicContact CG1-CD2 4.2Å; I621-Y655 HydrophobicContact CG1-CE2 4.18Å; I621-Y655 HydrophobicContact CG2-CD1 4.48Å; I621-Y655 HydrophobicContact CG2-CD2 4.5Å; I621-Y655 HydrophobicContact CG2-CG 4.27Å; Q653-Y655 PolarHBondContact O-N 2.91Å; Y655-S657 WeakPolarHBondContact CE1-OG 3.47Å; Y655-S657 PolarHBondContact O-N 3Å | ||
| 656 | I | 58.7 | Low | 71.6 | Confident | 142 Ų | 142 | 78 Ų | 78 | 73% | 0.728 | 42% | 0.415 | S | S | * | . | trans | -85.2 | 105.1 | 175.5 | -58.5 | 174.3 | 0 | 0 | 0 | 108.5 | P654 R658 | P654-I656 PolarHBondContact O-N 3.34Å; I656-R658 PolarHBondContact O-N 3.37Å; I656-R658 VanDerWaalsContact O-N 3.08Å | ||
| 657 | S | 44.3 | Very low | 71.3 | Confident | 81 Ų | 81 | 79.5 Ų | 79.5 | 57% | 0.566 | 43% | 0.426 | S | S | * | . | trans | -64.7 | 108 | 172.2 | -65.5 | 0 | 0 | 0 | 0 | 109.4 | Y655 | Y655-S657 WeakPolarHBondContact CE1-OG 3.47Å; Y655-S657 PolarHBondContact O-N 3Å | ||
| 658 | R | 46.4 | Very low | 71.3 | Confident | 225 Ų | 225 | 79.9 Ų | 79.9 | 85% | 0.849 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -68 | 130.6 | 164.7 | -68.2 | -175 | -179.4 | -172.4 | 0.4 | 107.7 | I656 T660 | I656-R658 PolarHBondContact O-N 3.37Å; I656-R658 VanDerWaalsContact O-N 3.08Å; R658-T660 PolarHBondContact O-N 3.32Å |
| 659 | P | 38 | Very low | 71.5 | Confident | 118 Ų | 118 | 80.1 Ų | 80.1 | 77% | 0.766 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -57 | 133.2 | 178 | 21 | -29.8 | 0 | 0 | 0 | 109.8 | P661 | P659-P661 WeakPolarHBondContact O-CD 3.5Š|
| 660 | T | 46.8 | Very low | 71.3 | Confident | 136 Ų | 136 | 80.2 Ų | 80.2 | 83% | 0.834 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 120.5 | 175.2 | 45.1 | 0 | 0 | 0 | 0 | 108.7 | R658 | R658-T660 PolarHBondContact O-N 3.32Š|
| 661 | P | 56.9 | Low | 71.2 | Confident | 71 Ų | 71 | 75.1 Ų | 75.1 | 46% | 0.461 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 143.2 | 177.8 | -22.2 | 33.3 | 0 | 0 | 0 | 110.8 | P659 L663 F666 I734 | P659-P661 WeakPolarHBondContact O-CD 3.5Å; P661-L663 PolarHBondContact O-N 3.44Å; P661-L663 VanDerWaalsContact O-N 3.15Å; P661-F666 HydrophobicContact CB-CE2 3.92Å; P661-F666 HydrophobicContact CB-CZ 4.29Å; P661-I734 HydrophobicContact CB-CD1 3.97Å; P661-I734 HydrophobicContact CG-CD1 3.67Å |
| 662 | D | 66.6 | Low | 71.1 | Confident | 94 Ų | 94 | 78.3 Ų | 78.3 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 118.1 | 168.4 | -175.4 | -5.9 | 0 | 0 | 0 | 108.5 | S664 D665 | D662-S664 PolarHBondContact O-N 2.96Å; D662-S664 WeakPolarHBondContact OD1-CB 3.35Å; D662-S664 PolarHBondContact OD1-N 3.03Å; D662-S664 PolarHBondContact OD1-OG 3.31Å; D662-D665 PolarHBondContact O-N 3.24Å |
| 663 | L | 76.1 | Confident | 71 | Confident | 38 Ų | 38 | 79.6 Ų | 79.6 | 20% | 0.199 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -64.3 | -20.7 | -178.6 | -66.2 | 176.4 | 0 | 0 | 0 | 111.9 | P661 D665 F666 W668 F669 F700 L733 I734 | P661-L663 PolarHBondContact O-N 3.44Å; P661-L663 VanDerWaalsContact O-N 3.15Å; L663-D665 PolarHBondContact O-N 3.32Å; L663-F666 HydrophobicContact CD2-CD2 4.46Å; L663-F666 PolarHBondContact O-N 3.29Å; L663-F666 VanDerWaalsContact O-N 3.11Å; L663-W668 HydrophobicContact CD2-CH2 4.18Å; L663-F669 HydrophobicContact CB-CD1 3.77Å; L663-F669 HydrophobicContact CB-CD2 4.4Å; L663-F669 HydrophobicContact CB-CE1 3.89Å; L663-F669 HydrophobicContact CB-CG 4.03Å; L663-F669 HydrophobicContact CB-CZ 4.28Å; L663-F669 HydrophobicContact CD1-CE2 4.49Å; L663-F669 HydrophobicContact CD1-CZ 4.49Å; L663-F669 WeakPolarHBondContact O-CB 2.92Å; L663-F669 WeakPolarHBondContact O-CD1 3.32Å; L663-F669 WeakPolarHBondContact O-CG 3.05Å; L663-F700 HydrophobicContact CD1-CE1 4.14Å; L663-F700 HydrophobicContact CD1-CZ 4.03Å; L663-L733 HydrophobicContact CD1-CD2 3.93Å; L663-L733 HydrophobicContact CD2-CD2 4.47Å; L663-I734 HydrophobicContact CD2-CD1 4.09Å; L663-I734 HydrophobicContact CD2-CG1 3.89Å |
| 664 | S | 73.9 | Confident | 71.3 | Confident | 64 Ų | 64 | 79.8 Ų | 79.8 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -60.4 | -29.9 | 179.2 | -51.4 | 0 | 0 | 0 | 0 | 112.9 | D662 F666 K761 | D662-S664 PolarHBondContact O-N 2.96Å; D662-S664 WeakPolarHBondContact OD1-CB 3.35Å; D662-S664 PolarHBondContact OD1-N 3.03Å; D662-S664 PolarHBondContact OD1-OG 3.31Å; S664-F666 PolarHBondContact O-N 2.98Å; S664-K761 PolarHBondContact O-NZ 3.02Å |
| 665 | D | 76.3 | Confident | 71.9 | Confident | 131 Ų | 131 | 82.6 Ų | 82.6 | 70% | 0.701 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -71.2 | -17.3 | 179.3 | -66.9 | -24.6 | 0 | 0 | 0 | 112.7 | D662 L663 | D662-D665 PolarHBondContact O-N 3.24Å; L663-D665 PolarHBondContact O-N 3.32Å |
| 666 | F | 82.7 | Confident | 72.8 | Confident | 46 Ų | 46 | 84.1 Ų | 84.1 | 20% | 0.202 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -81.4 | 131.7 | -178.5 | -69.4 | -92.4 | 0 | 0 | 0 | 111.6 | P661 L663 S664 W668 F669 I734 | P661-F666 HydrophobicContact CB-CE2 3.92Å; P661-F666 HydrophobicContact CB-CZ 4.29Å; L663-F666 HydrophobicContact CD2-CD2 4.46Å; L663-F666 PolarHBondContact O-N 3.29Å; L663-F666 VanDerWaalsContact O-N 3.11Å; S664-F666 PolarHBondContact O-N 2.98Å; F666-W668 HydrophobicContact CB-CD2 3.92Å; F666-W668 HydrophobicContact CB-CE3 4.49Å; F666-W668 HydrophobicContact CB-CG 4.29Å; F666-W668 HydrophobicContact CB-CH2 4.41Å; F666-W668 HydrophobicContact CB-CZ2 3.8Å; F666-W668 AromaticContact CD1-CE2 3.74Å; F666-W668 AromaticContact CD1-CZ2 3.75Å; F666-W668 HydrophobicContact CD1-CZ2 3.75Å; F666-W668 AromaticContact CD1-NE1 3.44Å; F666-W668 HydrophobicContact CD2-CZ2 4.34Å; F666-W668 HydrophobicContact CE1-CZ2 4.44Å; F666-W668 AromaticContact CG-CE2 3.78Å; F666-W668 HydrophobicContact CG-CH2 4.45Å; F666-W668 AromaticContact CG-CZ2 3.67Å; F666-W668 HydrophobicContact CG-CZ2 3.67Å; F666-W668 AromaticContact CG-NE1 3.87Å; F666-W668 PolarHBondContact O-N 2.82Å; F666-W668 VanDerWaalsContact O-N 3.07Å; F666-F669 HydrophobicContact CB-CB 4.34Å; F666-F669 PolarHBondContact O-N 3.5Å; F666-I734 HydrophobicContact CE1-CD1 4.4Å; F666-I734 HydrophobicContact CE1-CG1 4.32Å; F666-I734 HydrophobicContact CE1-CG2 3.87Å; F666-I734 HydrophobicContact CE2-CD1 3.64Å; F666-I734 HydrophobicContact CE2-CG1 4.06Å; F666-I734 HydrophobicContact CZ-CD1 3.5Å; F666-I734 VanDerWaalsContact CZ-CD1 3.5Å; F666-I734 HydrophobicContact CZ-CG1 3.85Å; F666-I734 HydrophobicContact CZ-CG2 3.99Å |
| 667 | P | 83.2 | Confident | 73.9 | Confident | 43 Ų | 43 | 79.1 Ų | 79.1 | 28% | 0.279 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -12.3 | -177.3 | 27.9 | -35.4 | 0 | 0 | 0 | 113.2 | P759 F760 K761 Q762 | P667-P759 HydrophobicContact CB-CB 3.9Å; P667-P759 HydrophobicContact CG-CB 3.97Å; P667-P759 HydrophobicContact CG-CG 4.23Å; P667-F760 WeakPolarHBondContact O-CD1 3.29Å; P667-K761 HydrophobicContact CB-CB 4.13Å; P667-K761 WeakPolarHBondContact O-CB 3.47Å; P667-K761 WeakPolarHBondContact O-CG 3.46Å; P667-K761 PolarHBondContact O-N 3.16Å; P667-Q762 HydrophobicContact CB-CG 4.24Å |
| 668 | W | 90.3 | Very high | 76 | Confident | 7 Ų | 7 | 75.2 Ų | 75.2 | 3% | 0.027 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -12.8 | 176.7 | 49.8 | -104.1 | 0 | 0 | 0 | 113 | L663 F666 F690 L691 V692 L733 I734 I737 P759 | L663-W668 HydrophobicContact CD2-CH2 4.18Å; F666-W668 HydrophobicContact CB-CD2 3.92Å; F666-W668 HydrophobicContact CB-CE3 4.49Å; F666-W668 HydrophobicContact CB-CG 4.29Å; F666-W668 HydrophobicContact CB-CH2 4.41Å; F666-W668 HydrophobicContact CB-CZ2 3.8Å; F666-W668 AromaticContact CD1-CE2 3.74Å; F666-W668 AromaticContact CD1-CZ2 3.75Å; F666-W668 HydrophobicContact CD1-CZ2 3.75Å; F666-W668 AromaticContact CD1-NE1 3.44Å; F666-W668 HydrophobicContact CD2-CZ2 4.34Å; F666-W668 HydrophobicContact CE1-CZ2 4.44Å; F666-W668 AromaticContact CG-CE2 3.78Å; F666-W668 HydrophobicContact CG-CH2 4.45Å; F666-W668 AromaticContact CG-CZ2 3.67Å; F666-W668 HydrophobicContact CG-CZ2 3.67Å; F666-W668 AromaticContact CG-NE1 3.87Å; F666-W668 PolarHBondContact O-N 2.82Å; F666-W668 VanDerWaalsContact O-N 3.07Å; W668-F690 HydrophobicContact CB-CD2 4.29Å; W668-F690 HydrophobicContact CB-CE1 4.46Å; W668-F690 HydrophobicContact CB-CE2 3.48Å; W668-F690 VanDerWaalsContact CB-CE2 3.48Å; W668-F690 HydrophobicContact CB-CZ 3.58Å; W668-F690 AromaticContact CG-CE2 3.96Å; W668-F690 HydrophobicContact CG-CE2 3.96Å; W668-F690 HydrophobicContact CG-CZ 4.01Å; W668-L691 CarbonylContact O-C 3.54Å; W668-L691 VanDerWaalsContact O-CA 3.26Å; W668-L691 WeakPolarHBondContact O-CA 3.25Å; W668-V692 HydrophobicContact CD2-CG2 4.26Å; W668-V692 HydrophobicContact CE3-CB 3.54Å; W668-V692 HydrophobicContact CE3-CG1 4.49Å; W668-V692 HydrophobicContact CE3-CG2 3.31Å; W668-V692 HydrophobicContact CZ3-CB 3.64Å; W668-V692 HydrophobicContact CZ3-CG1 4.1Å; W668-V692 HydrophobicContact CZ3-CG2 3.58Å; W668-V692 PolarHBondContact O-N 3.03Å; W668-L733 HydrophobicContact CH2-CD2 4.45Å; W668-L733 HydrophobicContact CH2-CG 4.4Å; W668-I734 HydrophobicContact CH2-CG1 4.48Å; W668-I734 HydrophobicContact CZ2-CG1 4.23Å; W668-I737 HydrophobicContact CD2-CG2 4.13Å; W668-I737 HydrophobicContact CG-CG2 4.31Å; W668-I737 HydrophobicContact CH2-CG1 4.09Å; W668-I737 HydrophobicContact CZ2-CB 4.28Å; W668-I737 HydrophobicContact CZ2-CG1 4.2Å; W668-I737 HydrophobicContact CZ2-CG2 4.31Å; W668-I737 HydrophobicContact CZ3-CG1 4.26Å; W668-P759 HydrophobicContact CB-CB 3.92Å; W668-P759 HydrophobicContact CB-CG 4.47Å |
| 669 | F | 91.7 | Very high | 78 | Confident | 14 Ų | 14 | 69 Ų | 69 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 124.2 | -175.9 | -171.7 | -116.9 | 0 | 0 | 0 | 111.8 | L663 F666 V692 Q694 F700 K761 | L663-F669 HydrophobicContact CB-CD1 3.77Å; L663-F669 HydrophobicContact CB-CD2 4.4Å; L663-F669 HydrophobicContact CB-CE1 3.89Å; L663-F669 HydrophobicContact CB-CG 4.03Å; L663-F669 HydrophobicContact CB-CZ 4.28Å; L663-F669 HydrophobicContact CD1-CE2 4.49Å; L663-F669 HydrophobicContact CD1-CZ 4.49Å; L663-F669 WeakPolarHBondContact O-CB 2.92Å; L663-F669 WeakPolarHBondContact O-CD1 3.32Å; L663-F669 WeakPolarHBondContact O-CG 3.05Å; F666-F669 HydrophobicContact CB-CB 4.34Å; F666-F669 PolarHBondContact O-N 3.5Å; F669-V692 HydrophobicContact CD2-CB 4.29Å; F669-V692 HydrophobicContact CD2-CG1 4.36Å; F669-V692 WeakPolarHBondContact CD2-O 3.25Å; F669-Q694 HydrophobicContact CZ-CB 4.41Å; F669-F700 HydrophobicContact CE2-CD1 4.09Å; F669-F700 AromaticContact CE2-CE1 3.75Å; F669-F700 HydrophobicContact CE2-CE1 3.75Å; F669-F700 HydrophobicContact CZ-CE1 4.13Å; F669-K761 WeakPolarHBondContact O-CE 3.09Å; F669-K761 PolarHBondContact O-NZ 3.4Å |
| 670 | A | 83.3 | Confident | 80.3 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -1.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | M673 L691 V692 F760 | A670-M673 HydrophobicContact CB-CE 3.72Å; A670-M673 HydrophobicContact CB-SD 3.95Å; A670-L691 HydrophobicContact CB-CB 4.3Å; A670-L691 HydrophobicContact CB-CD1 3.95Å; A670-L691 HydrophobicContact CB-CD2 4.49Å; A670-L691 HydrophobicContact CB-CG 4.48Å; A670-V692 PolarHBondContact N-O 3.49Å; A670-F760 HydrophobicContact CB-CE1 3.76Å; A670-F760 HydrophobicContact CB-CE2 4.45Å; A670-F760 HydrophobicContact CB-CZ 3.63Å |
| 671 | G | 84.7 | Confident | 82.1 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 19% | 0.186 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 69 | -155.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M673 Q694 | G671-M673 PolarHBondContact O-N 3.43Å; G671-M673 VanDerWaalsContact O-N 3.14Å; G671-Q694 PolarHBondContact O-N 3.1Å |
| 672 | N | 83.8 | Confident | 83.6 | Confident | 110 Ų | 110 | 62.3 Ų | 62.3 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 110.9 | 176.1 | -75.3 | -15.6 | 0 | 0 | 0 | 110 | Q694 | N672-Q694 WeakPolarHBondContact CA-O 3.46Å; N672-Q694 WeakPolarHBondContact OD1-CB 3.37Å |
| 673 | M | 85.2 | Confident | 84.5 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 19% | 0.187 | 33% | 0.33 | C | S | . | . | trans | -152.7 | 133.1 | -175 | -177.4 | 180 | -68.5 | 0 | 0 | 111.2 | A670 G671 A677 A678 L681 L691 R693 Q694 | A670-M673 HydrophobicContact CB-CE 3.72Å; A670-M673 HydrophobicContact CB-SD 3.95Å; G671-M673 PolarHBondContact O-N 3.43Å; G671-M673 VanDerWaalsContact O-N 3.14Å; M673-A677 HydrophobicContact CG-CB 3.75Å; M673-A677 HydrophobicContact SD-CB 4.39Å; M673-A678 HydrophobicContact CG-CB 4.41Å; M673-A678 HydrophobicContact SD-CB 3.99Å; M673-L681 HydrophobicContact CE-CD1 3.49Å; M673-L681 VanDerWaalsContact CE-CD1 3.49Å; M673-L681 HydrophobicContact SD-CD1 3.83Å; M673-L691 HydrophobicContact SD-CD1 4.3Å; M673-L691 HydrophobicContact SD-CD2 4.27Å; M673-R693 HydrophobicContact CB-CB 3.87Å; M673-R693 VanDerWaalsContact O-CD 3.31Å; M673-R693 WeakPolarHBondContact O-CD 3.4Å; M673-R693 PolarHBondContact O-NH1 3.31Å; M673-Q694 PolarHBondContact N-O 2.99Å; M673-Q694 VanDerWaalsContact N-O 3.09Å | ||
| 674 | D | 84.9 | Confident | 84.6 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | trans | -79.4 | 172.4 | 176.9 | 76.2 | 36 | 0 | 0 | 0 | 112.5 | I676 A677 A678 | D674-I676 VanDerWaalsContact C-N 3.31Å; D674-I676 PolarHBondContact O-N 3.06Å; D674-I676 WeakPolarHBondContact OD1-CA 3.36Å; D674-I676 WeakPolarHBondContact OD1-CB 3.3Å; D674-I676 PolarHBondContact OD1-N 3.01Å; D674-A677 WeakPolarHBondContact OD1-CB 3.49Å; D674-A677 PolarHBondContact OD1-N 2.78Å; D674-A678 WeakPolarHBondContact O-CB 3.37Å; D674-A678 PolarHBondContact O-N 2.87Å | ||
| 675 | R | 87.4 | Confident | 85.1 | Confident | 155 Ų | 155 | 66 Ų | 66 | 59% | 0.585 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.7 | -33.5 | -177.7 | -169.1 | -177.9 | 173.7 | 172.5 | -0.6 | 112.7 | K679 H712 | R675-K679 WeakPolarHBondContact O-CB 3.29Å; R675-K679 PolarHBondContact O-N 2.71Å; R675-K679 VanDerWaalsContact O-N 3.08Å; R675-H712 WeakPolarHBondContact CG-CE1 3.41Å; R675-H712 VanDerWaalsContact CG-NE2 3.28Å; R675-H712 WeakPolarHBondContact CG-NE2 2.78Å; R675-H712 PolarHBondContact NE-CD2 3.23Å; R675-H712 PolarHBondContact NE-NE2 3.41Å |
| 676 | I | 86.8 | Confident | 85.6 | Confident | 120 Ų | 120 | 62.1 Ų | 62.1 | 62% | 0.615 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -77.1 | -45.3 | -174.2 | -62 | 170.4 | 0 | 0 | 0 | 109.6 | D674 A678 K679 N680 | D674-I676 VanDerWaalsContact C-N 3.31Å; D674-I676 PolarHBondContact O-N 3.06Å; D674-I676 WeakPolarHBondContact OD1-CA 3.36Å; D674-I676 WeakPolarHBondContact OD1-CB 3.3Å; D674-I676 PolarHBondContact OD1-N 3.01Å; I676-A678 VanDerWaalsContact C-N 3.35Å; I676-A678 PolarHBondContact O-N 2.88Å; I676-K679 WeakPolarHBondContact O-CB 3.18Å; I676-K679 PolarHBondContact O-N 3.44Å; I676-K679 VanDerWaalsContact O-N 3.17Å; I676-N680 PolarHBondContact O-N 3.39Å; I676-N680 PolarHBondContact O-ND2 2.9Å |
| 677 | A | 83 | Confident | 85.8 | Confident | 37 Ų | 37 | 63 Ų | 63 | 31% | 0.306 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M673 D674 K679 N680 L681 | M673-A677 HydrophobicContact CG-CB 3.75Å; M673-A677 HydrophobicContact SD-CB 4.39Å; D674-A677 WeakPolarHBondContact OD1-CB 3.49Å; D674-A677 PolarHBondContact OD1-N 2.78Å; A677-K679 VanDerWaalsContact C-N 3.33Å; A677-K679 PolarHBondContact O-N 2.81Å; A677-N680 PolarHBondContact O-N 3.01Å; A677-L681 PolarHBondContact O-N 2.92Å |
| 678 | A | 87.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M673 D674 I676 L681 L682 L691 | M673-A678 HydrophobicContact CG-CB 4.41Å; M673-A678 HydrophobicContact SD-CB 3.99Å; D674-A678 WeakPolarHBondContact O-CB 3.37Å; D674-A678 PolarHBondContact O-N 2.87Å; I676-A678 VanDerWaalsContact C-N 3.35Å; I676-A678 PolarHBondContact O-N 2.88Å; A678-L681 PolarHBondContact O-N 3.02Å; A678-L682 WeakPolarHBondContact O-CB 3.47Å; A678-L682 WeakPolarHBondContact O-CG 3.12Å; A678-L682 PolarHBondContact O-N 3.44Å; A678-L682 VanDerWaalsContact O-N 3.14Å; A678-L691 HydrophobicContact CB-CD1 3.98Å; A678-L691 HydrophobicContact CB-CD2 4.26Å |
| 679 | K | 88.2 | Confident | 85.8 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 41% | 0.409 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 176.2 | -169.6 | -179.7 | -179.3 | 178.6 | 0 | 111.3 | R675 I676 A677 L681 L682 I683 I710 | R675-K679 WeakPolarHBondContact O-CB 3.29Å; R675-K679 PolarHBondContact O-N 2.71Å; R675-K679 VanDerWaalsContact O-N 3.08Å; I676-K679 WeakPolarHBondContact O-CB 3.18Å; I676-K679 PolarHBondContact O-N 3.44Å; I676-K679 VanDerWaalsContact O-N 3.17Å; A677-K679 VanDerWaalsContact C-N 3.33Å; A677-K679 PolarHBondContact O-N 2.81Å; K679-L681 VanDerWaalsContact C-N 3.33Å; K679-L681 PolarHBondContact O-N 2.56Å; K679-L682 PolarHBondContact O-N 3.01Å; K679-I683 WeakPolarHBondContact O-CB 3.35Å; K679-I683 PolarHBondContact O-N 3.39Å; K679-I710 HydrophobicContact CD-CD1 4.46Å; K679-I710 HydrophobicContact CG-CB 4.13Å; K679-I710 HydrophobicContact CG-CD1 3.56Å; K679-I710 HydrophobicContact CG-CG1 4.01Å |
| 680 | N | 86.6 | Confident | 86 | Confident | 102 Ų | 102 | 60 Ų | 60 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66 | -33.5 | -179.2 | -69.3 | -21 | 0 | 0 | 0 | 112.9 | I676 A677 I683 | I676-N680 PolarHBondContact O-N 3.39Å; I676-N680 PolarHBondContact O-ND2 2.9Å; A677-N680 PolarHBondContact O-N 3.01Å; N680-I683 WeakPolarHBondContact O-CG2 3.48Å |
| 681 | L | 84.4 | Confident | 86.5 | Confident | 83 Ų | 83 | 58.9 Ų | 58.9 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -73 | -33.9 | 175.8 | -74.6 | 174.1 | 0 | 0 | 0 | 113.2 | M673 A677 A678 K679 R685 | M673-L681 HydrophobicContact CE-CD1 3.49Å; M673-L681 VanDerWaalsContact CE-CD1 3.49Å; M673-L681 HydrophobicContact SD-CD1 3.83Å; A677-L681 PolarHBondContact O-N 2.92Å; A678-L681 PolarHBondContact O-N 3.02Å; K679-L681 VanDerWaalsContact C-N 3.33Å; K679-L681 PolarHBondContact O-N 2.56Å; L681-R685 WeakPolarHBondContact O-CG 3.31Å |
| 682 | L | 88.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -91.1 | -16.7 | -177.2 | -67.7 | 175.8 | 0 | 0 | 0 | 113.6 | A678 K679 S684 R685 T689 L691 S703 K705 I710 F760 | A678-L682 WeakPolarHBondContact O-CB 3.47Å; A678-L682 WeakPolarHBondContact O-CG 3.12Å; A678-L682 PolarHBondContact O-N 3.44Å; A678-L682 VanDerWaalsContact O-N 3.14Å; K679-L682 PolarHBondContact O-N 3.01Å; L682-S684 VanDerWaalsContact C-N 3.28Å; L682-S684 PolarHBondContact O-N 2.87Å; L682-R685 HydrophobicContact CD2-CG 4.48Å; L682-R685 WeakPolarHBondContact O-CB 3.33Å; L682-R685 PolarHBondContact O-N 3.18Å; L682-R685 VanDerWaalsContact O-N 3.08Å; L682-T689 HydrophobicContact CD2-CG2 3.72Å; L682-L691 HydrophobicContact CD1-CD2 4.09Å; L682-L691 HydrophobicContact CD1-CG 4.16Å; L682-L691 HydrophobicContact CD2-CD2 4.24Å; L682-L691 HydrophobicContact CG-CD2 3.98Å; L682-S703 WeakPolarHBondContact CD1-O 3.24Å; L682-K705 HydrophobicContact CB-CB 4.46Å; L682-I710 HydrophobicContact CB-CG1 4.05Å; L682-I710 HydrophobicContact CD1-CG2 4.15Å; L682-F760 HydrophobicContact CD2-CB 4.32Å |
| 683 | I | 85.8 | Confident | 87.2 | Confident | 93 Ų | 93 | 54.3 Ų | 54.3 | 48% | 0.477 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -36.3 | -171.4 | -160.8 | 164.7 | 0 | 0 | 0 | 113.2 | K679 N680 K705 I710 | K679-I683 WeakPolarHBondContact O-CB 3.35Å; K679-I683 PolarHBondContact O-N 3.39Å; N680-I683 WeakPolarHBondContact O-CG2 3.48Å; I683-K705 PolarHBondContact O-NZ 3.41Å; I683-I710 HydrophobicContact CB-CD1 4.26Å; I683-I710 HydrophobicContact CG1-CD1 4.29Å |
| 684 | S | 79.3 | Confident | 87.3 | Confident | 87 Ų | 87 | 55 Ų | 55 | 61% | 0.608 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 8.1 | 180 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | L682 | L682-S684 VanDerWaalsContact C-N 3.28Å; L682-S684 PolarHBondContact O-N 2.87Å |
| 685 | R | 84.8 | Confident | 86.9 | Confident | 93 Ų | 93 | 56.5 Ų | 56.5 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -97.5 | 161.3 | 178.6 | -59.3 | -83.8 | 84.8 | 126.7 | -7.6 | 110.6 | L681 L682 T689 E764 | L681-R685 WeakPolarHBondContact O-CG 3.31Å; L682-R685 HydrophobicContact CD2-CG 4.48Å; L682-R685 WeakPolarHBondContact O-CB 3.33Å; L682-R685 PolarHBondContact O-N 3.18Å; L682-R685 VanDerWaalsContact O-N 3.08Å; R685-T689 HydrophobicContact CB-CG2 3.99Å; R685-T689 HydrophobicContact CG-CG2 4.13Å; R685-E764 WeakPolarHBondContact CA-OE1 3.3Å; R685-E764 IonicContact CZ-OE2 3.88Å; R685-E764 VanDerWaalsContact CZ-OE2 3.26Å; R685-E764 IonicContact NE-OE1 3.43Å; R685-E764 PolarHBondContact NE-OE1 2.98Å; R685-E764 IonicContact NE-OE2 2.87Å; R685-E764 PolarHBondContact NE-OE2 3.43Å; R685-E764 IonicContact NH2-OE2 2.91Å; R685-E764 PolarHBondContact NH2-OE2 3.36Å |
| 686 | S | 85.6 | Confident | 85.4 | Confident | 49 Ų | 49 | 55.9 Ų | 55.9 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 149.6 | 173.7 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | T689 E764 | S686-T689 VanDerWaalsContact O-CB 3.31Å; S686-T689 WeakPolarHBondContact O-CB 3.47Å; S686-T689 PolarHBondContact O-N 2.88Å; S686-T689 VanDerWaalsContact O-N 3.17Å; S686-T689 PolarHBondContact O-OG1 2.86Å; S686-T689 PolarHBondContact OG-OG1 2.89Å; S686-E764 PolarHBondContact N-OE1 2.99Å; S686-E764 PolarHBondContact OG-OE1 3.05Å |
| 687 | D | 87.1 | Confident | 83.9 | Confident | 64 Ų | 64 | 54 Ų | 54 | 34% | 0.342 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 135.6 | 176.3 | -78.9 | 6.3 | 0 | 0 | 0 | 111.2 | K705 N707 M708 | D687-K705 WeakPolarHBondContact OD1-CG 3.37Å; D687-N707 VanDerWaalsContact OD2-CA 3.24Å; D687-N707 WeakPolarHBondContact OD2-CA 3.45Å; D687-N707 PolarHBondContact OD2-N 2.85Å; D687-M708 PolarHBondContact OD1-N 3.29Å; D687-M708 PolarHBondContact OD2-N 2.79Å |
| 688 | G | 83.9 | Confident | 83 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -8.4 | -171 | 0 | 0 | 0 | 0 | 0 | 114.2 | K705 R757 I758 | G688-K705 PolarHBondContact N-O 2.86Å; G688-R757 PolarHBondContact O-N 3.15Å; G688-R757 VanDerWaalsContact O-N 3.16Å; G688-I758 PolarHBondContact O-N 2.84Å; G688-I758 VanDerWaalsContact O-N 3.14Å |
| 689 | T | 90.6 | Very high | 82.6 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 130.1 | 174.1 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | L682 R685 S686 I704 K705 I758 F760 | L682-T689 HydrophobicContact CD2-CG2 3.72Å; R685-T689 HydrophobicContact CB-CG2 3.99Å; R685-T689 HydrophobicContact CG-CG2 4.13Å; S686-T689 VanDerWaalsContact O-CB 3.31Å; S686-T689 WeakPolarHBondContact O-CB 3.47Å; S686-T689 PolarHBondContact O-N 2.88Å; S686-T689 VanDerWaalsContact O-N 3.17Å; S686-T689 PolarHBondContact O-OG1 2.86Å; S686-T689 PolarHBondContact OG-OG1 2.89Å; T689-I704 WeakPolarHBondContact O-CA 3.18Å; T689-K705 PolarHBondContact O-N 3.47Å; T689-I758 CarbonylContact C-O 3.55Å; T689-I758 VanDerWaalsContact CA-O 3.24Å; T689-I758 WeakPolarHBondContact CA-O 3.25Å; T689-I758 HydrophobicContact CG2-CB 4.47Å; T689-I758 HydrophobicContact CG2-CG2 4.48Å; T689-I758 WeakPolarHBondContact CG2-O 3.4Å; T689-F760 HydrophobicContact CG2-CB 4.31Å |
| 690 | F | 94.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 157.9 | -175.8 | 81.2 | -75.9 | 0 | 0 | 0 | 113.6 | W668 I702 S703 I704 I737 Q741 L756 I758 P759 F760 | W668-F690 HydrophobicContact CB-CD2 4.29Å; W668-F690 HydrophobicContact CB-CE1 4.46Å; W668-F690 HydrophobicContact CB-CE2 3.48Å; W668-F690 VanDerWaalsContact CB-CE2 3.48Å; W668-F690 HydrophobicContact CB-CZ 3.58Å; W668-F690 AromaticContact CG-CE2 3.96Å; W668-F690 HydrophobicContact CG-CE2 3.96Å; W668-F690 HydrophobicContact CG-CZ 4.01Å; F690-I702 HydrophobicContact CD2-CG2 4.36Å; F690-S703 CarbonylContact C-O 3.57Å; F690-S703 WeakPolarHBondContact CA-O 3.1Å; F690-I704 HydrophobicContact CB-CB 3.93Å; F690-I704 HydrophobicContact CB-CD1 4.17Å; F690-I704 HydrophobicContact CB-CG1 4Å; F690-I737 HydrophobicContact CE2-CG2 3.86Å; F690-I737 HydrophobicContact CZ-CG2 4.04Å; F690-Q741 HydrophobicContact CZ-CG 4.27Å; F690-L756 HydrophobicContact CB-CD2 4.1Å; F690-L756 HydrophobicContact CD1-CB 3.66Å; F690-L756 HydrophobicContact CD2-CB 3.98Å; F690-L756 HydrophobicContact CD2-CD1 4.04Å; F690-L756 HydrophobicContact CD2-CD2 3.98Å; F690-L756 HydrophobicContact CD2-CG 4.21Å; F690-L756 VanDerWaalsContact CE1-C 3.48Å; F690-L756 HydrophobicContact CE1-CB 3.6Å; F690-L756 VanDerWaalsContact CE1-O 3.26Å; F690-L756 WeakPolarHBondContact CE1-O 3.21Å; F690-L756 HydrophobicContact CE2-CB 3.91Å; F690-L756 HydrophobicContact CE2-CD1 3.89Å; F690-L756 HydrophobicContact CE2-CG 4.34Å; F690-L756 HydrophobicContact CG-CB 3.86Å; F690-L756 HydrophobicContact CG-CD2 3.95Å; F690-L756 HydrophobicContact CG-CG 4.35Å; F690-L756 HydrophobicContact CZ-CB 3.72Å; F690-L756 HydrophobicContact CZ-CD1 4.4Å; F690-I758 WeakPolarHBondContact CD1-O 3.46Å; F690-I758 PolarHBondContact N-O 3.25Å; F690-P759 HydrophobicContact CE1-CB 4.5Å; F690-P759 HydrophobicContact CE1-CG 4.05Å; F690-P759 HydrophobicContact CZ-CG 4.34Å; F690-F760 PolarHBondContact O-N 3.38Å |
| 691 | L | 93.4 | Very high | 83 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 154.1 | 169.1 | 65.4 | 84.3 | 0 | 0 | 0 | 111.1 | W668 A670 M673 A678 L682 R693 I702 S703 F760 | W668-L691 CarbonylContact O-C 3.54Å; W668-L691 VanDerWaalsContact O-CA 3.26Å; W668-L691 WeakPolarHBondContact O-CA 3.25Å; A670-L691 HydrophobicContact CB-CB 4.3Å; A670-L691 HydrophobicContact CB-CD1 3.95Å; A670-L691 HydrophobicContact CB-CD2 4.49Å; A670-L691 HydrophobicContact CB-CG 4.48Å; M673-L691 HydrophobicContact SD-CD1 4.3Å; M673-L691 HydrophobicContact SD-CD2 4.27Å; A678-L691 HydrophobicContact CB-CD1 3.98Å; A678-L691 HydrophobicContact CB-CD2 4.26Å; L682-L691 HydrophobicContact CD1-CD2 4.09Å; L682-L691 HydrophobicContact CD1-CG 4.16Å; L682-L691 HydrophobicContact CD2-CD2 4.24Å; L682-L691 HydrophobicContact CG-CD2 3.98Å; L691-R693 HydrophobicContact CD1-CB 3.95Å; L691-R693 HydrophobicContact CD1-CG 4.28Å; L691-I702 CarbonylContact O-C 3.55Å; L691-I702 WeakPolarHBondContact O-CA 3.33Å; L691-S703 PolarHBondContact N-O 3.43Å; L691-S703 PolarHBondContact O-N 3.44Å; L691-F760 HydrophobicContact CB-CB 4.09Å; L691-F760 HydrophobicContact CB-CD1 3.32Å; L691-F760 HydrophobicContact CB-CE1 3.9Å; L691-F760 HydrophobicContact CB-CG 3.78Å; L691-F760 HydrophobicContact CD2-CB 4.47Å; L691-F760 HydrophobicContact CD2-CD1 4.46Å; L691-F760 HydrophobicContact CD2-CD2 4.47Å; L691-F760 HydrophobicContact CD2-CG 4.2Å |
| 692 | V | 93.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 126.9 | 169.9 | -176 | 0 | 0 | 0 | 0 | 108.3 | W668 F669 A670 F700 A701 I702 I715 L733 I737 | W668-V692 HydrophobicContact CD2-CG2 4.26Å; W668-V692 HydrophobicContact CE3-CB 3.54Å; W668-V692 HydrophobicContact CE3-CG1 4.49Å; W668-V692 HydrophobicContact CE3-CG2 3.31Å; W668-V692 HydrophobicContact CZ3-CB 3.64Å; W668-V692 HydrophobicContact CZ3-CG1 4.1Å; W668-V692 HydrophobicContact CZ3-CG2 3.58Å; W668-V692 PolarHBondContact O-N 3.03Å; F669-V692 HydrophobicContact CD2-CB 4.29Å; F669-V692 HydrophobicContact CD2-CG1 4.36Å; F669-V692 WeakPolarHBondContact CD2-O 3.25Å; A670-V692 PolarHBondContact N-O 3.49Å; V692-F700 HydrophobicContact CG1-CB 4.38Å; V692-F700 HydrophobicContact CG1-CD1 4.28Å; V692-A701 WeakPolarHBondContact CA-O 3.35Å; V692-I702 HydrophobicContact CG2-CG1 4.19Å; V692-I715 HydrophobicContact CG1-CD1 4.16Å; V692-L733 HydrophobicContact CG1-CD2 4.47Å; V692-I737 HydrophobicContact CG2-CD1 3.56Å; V692-I737 HydrophobicContact CG2-CG1 4.11Å |
| 693 | R | 90.9 | Very high | 83.7 | Confident | 31 Ų | 31 | 46.6 Ų | 46.6 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 148.1 | -179.1 | 60.7 | -173.4 | -169.1 | 73.2 | 9.8 | 110.9 | M673 L691 F700 A701 S703 | M673-R693 HydrophobicContact CB-CB 3.87Å; M673-R693 VanDerWaalsContact O-CD 3.31Å; M673-R693 WeakPolarHBondContact O-CD 3.4Å; M673-R693 PolarHBondContact O-NH1 3.31Å; L691-R693 HydrophobicContact CD1-CB 3.95Å; L691-R693 HydrophobicContact CD1-CG 4.28Å; R693-F700 CarbonylContact O-C 3.49Å; R693-F700 WeakPolarHBondContact O-CA 3.35Å; R693-A701 HydrophobicContact CG-CB 4.29Å; R693-A701 PolarHBondContact N-O 3.03Å; R693-A701 PolarHBondContact O-N 3.11Å; R693-S703 PolarHBondContact NE-OG 3.16Å |
| 694 | Q | 86.4 | Confident | 84.1 | Confident | 52 Ų | 52 | 42.1 Ų | 42.1 | 24% | 0.243 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 143.9 | 175.2 | -167.1 | 171.4 | 20.8 | 0 | 0 | 110.1 | F669 G671 N672 M673 E699 F700 | F669-Q694 HydrophobicContact CZ-CB 4.41Å; G671-Q694 PolarHBondContact O-N 3.1Å; N672-Q694 WeakPolarHBondContact CA-O 3.46Å; N672-Q694 WeakPolarHBondContact OD1-CB 3.37Å; M673-Q694 PolarHBondContact N-O 2.99Å; M673-Q694 VanDerWaalsContact N-O 3.09Å; Q694-E699 WeakPolarHBondContact CA-O 3.26Å; Q694-F700 HydrophobicContact CB-CD1 4.01Å; Q694-F700 HydrophobicContact CB-CE1 3.94Å; Q694-F700 HydrophobicContact CG-CD1 4.12Å; Q694-F700 HydrophobicContact CG-CE1 3.83Å; Q694-F700 HydrophobicContact CG-CZ 4.34Å |
| 695 | K | 76.3 | Confident | 84.7 | Confident | 125 Ų | 125 | 38.7 Ų | 38.7 | 54% | 0.543 | 22% | 0.219 | S | C | . | . | trans | -105.7 | 153.8 | 175.1 | -169.7 | -175.7 | 173.5 | -166 | 0 | 110 | G697 G698 E699 | K695-G697 PolarHBondContact O-N 3.29Å; K695-G697 VanDerWaalsContact O-N 3.1Å; K695-G698 PolarHBondContact O-N 3.19Å; K695-E699 PolarHBondContact N-O 3.06Å | ||
| 696 | D | 56 | Low | 85 | Confident | 143 Ų | 143 | 35.2 Ų | 35.2 | 77% | 0.765 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50 | 116.4 | 168.1 | -57.3 | -38.9 | 0 | 0 | 0 | 110 | ||
| 697 | G | 56.3 | Low | 85 | Confident | 81 Ų | 81 | 38.1 Ų | 38.1 | 84% | 0.835 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 110.1 | 0.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K695 | K695-G697 PolarHBondContact O-N 3.29Å; K695-G697 VanDerWaalsContact O-N 3.1Å |
| 698 | G | 64.8 | Low | 84.6 | Confident | 39 Ų | 39 | 42.8 Ų | 42.8 | 40% | 0.402 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 88.3 | 2.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K695 | K695-G698 PolarHBondContact O-N 3.19Š|
| 699 | E | 79.3 | Confident | 84.6 | Confident | 89 Ų | 89 | 46.4 Ų | 46.4 | 42% | 0.416 | 26% | 0.259 | S | S | . | . | trans | -75.5 | 140.5 | 175.6 | -64.1 | -169 | 142 | 0 | 0 | 112 | Q694 K695 K714 | Q694-E699 WeakPolarHBondContact CA-O 3.26Å; K695-E699 PolarHBondContact N-O 3.06Å; E699-K714 WeakPolarHBondContact OE1-CE 3.42Å; E699-K714 IonicContact OE1-NZ 2.6Å; E699-K714 PolarHBondContact OE1-NZ 3.12Å; E699-K714 WeakPolarHBondContact OE2-CE 3.44Å; E699-K714 IonicContact OE2-NZ 3.26Å; E699-K714 PolarHBondContact OE2-NZ 2.88Å | ||
| 700 | F | 90.1 | Very high | 84.6 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 9% | 0.092 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 154.8 | 177.8 | -62.7 | -81.2 | 0 | 0 | 0 | 112.5 | L663 F669 V692 R693 Q694 I715 Y722 L733 | L663-F700 HydrophobicContact CD1-CE1 4.14Å; L663-F700 HydrophobicContact CD1-CZ 4.03Å; F669-F700 HydrophobicContact CE2-CD1 4.09Å; F669-F700 AromaticContact CE2-CE1 3.75Å; F669-F700 HydrophobicContact CE2-CE1 3.75Å; F669-F700 HydrophobicContact CZ-CE1 4.13Å; V692-F700 HydrophobicContact CG1-CB 4.38Å; V692-F700 HydrophobicContact CG1-CD1 4.28Å; R693-F700 CarbonylContact O-C 3.49Å; R693-F700 WeakPolarHBondContact O-CA 3.35Å; Q694-F700 HydrophobicContact CB-CD1 4.01Å; Q694-F700 HydrophobicContact CB-CE1 3.94Å; Q694-F700 HydrophobicContact CG-CD1 4.12Å; Q694-F700 HydrophobicContact CG-CE1 3.83Å; Q694-F700 HydrophobicContact CG-CZ 4.34Å; F700-I715 HydrophobicContact CB-CB 4.04Å; F700-I715 HydrophobicContact CB-CD1 3.65Å; F700-I715 HydrophobicContact CB-CG1 4.4Å; F700-I715 WeakPolarHBondContact O-CB 3.37Å; F700-I715 PolarHBondContact O-N 3.39Å; F700-Y722 HydrophobicContact CD2-CE1 4.07Å; F700-Y722 HydrophobicContact CE2-CE1 4.2Å; F700-L733 HydrophobicContact CD1-CD2 3.86Å; F700-L733 HydrophobicContact CD2-CD2 4.09Å; F700-L733 HydrophobicContact CE1-CD2 3.95Å; F700-L733 HydrophobicContact CE2-CD2 4.17Å; F700-L733 HydrophobicContact CG-CD2 3.94Å; F700-L733 HydrophobicContact CZ-CD2 4.09Å |
| 701 | A | 91.6 | Very high | 84.5 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 144.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V692 R693 I713 | V692-A701 WeakPolarHBondContact CA-O 3.35Å; R693-A701 HydrophobicContact CG-CB 4.29Å; R693-A701 PolarHBondContact N-O 3.03Å; R693-A701 PolarHBondContact O-N 3.11Å; A701-I713 CarbonylContact C-O 3.57Å; A701-I713 VanDerWaalsContact CA-O 3.29Å; A701-I713 WeakPolarHBondContact CA-O 3.19Å; A701-I713 WeakPolarHBondContact CB-O 3.28Å |
| 702 | I | 94.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 134.1 | 171.2 | -58.1 | 165.2 | 0 | 0 | 0 | 108.3 | F690 L691 V692 H712 I713 I715 I724 M736 I737 L756 | F690-I702 HydrophobicContact CD2-CG2 4.36Å; L691-I702 CarbonylContact O-C 3.55Å; L691-I702 WeakPolarHBondContact O-CA 3.33Å; V692-I702 HydrophobicContact CG2-CG1 4.19Å; I702-H712 CarbonylContact O-C 3.53Å; I702-H712 VanDerWaalsContact O-CA 3.26Å; I702-H712 WeakPolarHBondContact O-CA 3.34Å; I702-I713 HydrophobicContact CB-CB 4.36Å; I702-I713 PolarHBondContact N-O 3.18Å; I702-I713 PolarHBondContact O-N 2.96Å; I702-I715 HydrophobicContact CD1-CD1 4.36Å; I702-I715 HydrophobicContact CD1-CG1 4.46Å; I702-I715 HydrophobicContact CG1-CD1 3.82Å; I702-I715 HydrophobicContact CG1-CG1 4.23Å; I702-I724 HydrophobicContact CD1-CG2 4.07Å; I702-M736 HydrophobicContact CD1-CE 4.43Å; I702-I737 HydrophobicContact CD1-CD1 3.78Å; I702-I737 HydrophobicContact CG1-CD1 3.94Å; I702-L756 HydrophobicContact CD1-CD1 4.15Å; I702-L756 HydrophobicContact CG2-CD2 3.78Å |
| 703 | S | 94.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.4 | 169.3 | -51.5 | 0 | 0 | 0 | 0 | 108.7 | L682 F690 L691 R693 R711 H712 | L682-S703 WeakPolarHBondContact CD1-O 3.24Å; F690-S703 CarbonylContact C-O 3.57Å; F690-S703 WeakPolarHBondContact CA-O 3.1Å; L691-S703 PolarHBondContact N-O 3.43Å; L691-S703 PolarHBondContact O-N 3.44Å; R693-S703 PolarHBondContact NE-OG 3.16Å; S703-R711 CarbonylContact C-O 3.54Å; S703-R711 WeakPolarHBondContact CA-O 3.31Å; S703-H712 WeakPolarHBondContact CB-ND1 3.4Å; S703-H712 PolarHBondContact OG-ND1 2.83Å |
| 704 | I | 94.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.6 | -174.8 | -176.6 | 163.5 | 0 | 0 | 0 | 111.1 | T689 F690 I710 R711 T754 L756 | T689-I704 WeakPolarHBondContact O-CA 3.18Å; F690-I704 HydrophobicContact CB-CB 3.93Å; F690-I704 HydrophobicContact CB-CD1 4.17Å; F690-I704 HydrophobicContact CB-CG1 4Å; I704-I710 WeakPolarHBondContact O-CA 3.29Å; I704-R711 HydrophobicContact CG2-CB 4.09Å; I704-R711 PolarHBondContact N-O 3.24Å; I704-R711 PolarHBondContact O-N 2.91Å; I704-T754 HydrophobicContact CD1-CG2 3.61Å; I704-T754 HydrophobicContact CG1-CG2 4.49Å; I704-L756 HydrophobicContact CD1-CD2 3.91Å |
| 705 | K | 91.4 | Very high | 84.4 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 124 | 171.3 | -179.3 | 71.4 | 177.4 | -172.4 | 0 | 109.3 | L682 I683 D687 G688 T689 M708 D709 I710 | L682-K705 HydrophobicContact CB-CB 4.46Å; I683-K705 PolarHBondContact O-NZ 3.41Å; D687-K705 WeakPolarHBondContact OD1-CG 3.37Å; G688-K705 PolarHBondContact N-O 2.86Å; T689-K705 PolarHBondContact O-N 3.47Å; K705-M708 VanDerWaalsContact NZ-C 3.28Å; K705-M708 PolarHBondContact NZ-O 2.96Å; K705-D709 CarbonylContact C-O 3.5Å; K705-D709 WeakPolarHBondContact CA-O 3.32Å; K705-I710 HydrophobicContact CD-CD1 4.24Å; K705-I710 HydrophobicContact CD-CG1 4.18Å |
| 706 | F | 89.8 | Confident | 84.6 | Confident | 21 Ų | 21 | 52.1 Ų | 52.1 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 131.9 | 179.1 | -178.7 | -105 | 0 | 0 | 0 | 110.9 | M708 D709 D751 V752 D753 T754 | F706-M708 PolarHBondContact O-N 3.41Å; F706-D709 PolarHBondContact N-O 3.41Å; F706-D709 PolarHBondContact O-N 3.31Å; F706-D709 VanDerWaalsContact O-O 3.08Å; F706-D751 WeakPolarHBondContact CE1-O 3.42Å; F706-V752 HydrophobicContact CD1-CB 4.49Å; F706-V752 HydrophobicContact CD1-CG1 4.31Å; F706-V752 HydrophobicContact CG-CG1 4.3Å; F706-D753 WeakPolarHBondContact CE2-O 3.31Å; F706-D753 HydrophobicContact CZ-CB 4.31Å; F706-D753 VanDerWaalsContact CZ-N 3.34Å; F706-T754 HydrophobicContact CB-CG2 4.42Å; F706-T754 HydrophobicContact CD2-CG2 3.52Å; F706-T754 HydrophobicContact CE2-CG2 4.05Å; F706-T754 HydrophobicContact CG-CG2 4.14Å |
| 707 | N | 85.8 | Confident | 85.5 | Confident | 110 Ų | 110 | 49 Ų | 49 | 59% | 0.588 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 53.3 | -178.2 | -73.2 | -10.5 | 0 | 0 | 0 | 112.8 | D687 D709 | D687-N707 VanDerWaalsContact OD2-CA 3.24Å; D687-N707 WeakPolarHBondContact OD2-CA 3.45Å; D687-N707 PolarHBondContact OD2-N 2.85Å; N707-D709 PolarHBondContact O-N 3.25Å |
| 708 | M | 78.7 | Confident | 85.7 | Confident | 162 Ų | 162 | 48.5 Ų | 48.5 | 80% | 0.798 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 1 | -177.1 | -57.1 | -163.4 | 73.2 | 0 | 0 | 116.1 | D687 K705 F706 | D687-M708 PolarHBondContact OD1-N 3.29Å; D687-M708 PolarHBondContact OD2-N 2.79Å; K705-M708 VanDerWaalsContact NZ-C 3.28Å; K705-M708 PolarHBondContact NZ-O 2.96Å; F706-M708 PolarHBondContact O-N 3.41Å |
| 709 | D | 85.3 | Confident | 85.2 | Confident | 75 Ų | 75 | 54 Ų | 54 | 40% | 0.401 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 160.9 | -175.9 | -119.3 | -8 | 0 | 0 | 0 | 112.1 | K705 F706 N707 R711 | K705-D709 CarbonylContact C-O 3.5Å; K705-D709 WeakPolarHBondContact CA-O 3.32Å; F706-D709 PolarHBondContact N-O 3.41Å; F706-D709 PolarHBondContact O-N 3.31Å; F706-D709 VanDerWaalsContact O-O 3.08Å; N707-D709 PolarHBondContact O-N 3.25Å; D709-R711 IonicContact OD2-CZ 3.74Å; D709-R711 IonicContact OD2-NH1 2.8Å; D709-R711 PolarHBondContact OD2-NH1 3.37Å; D709-R711 IonicContact OD2-NH2 3.77Å |
| 710 | I | 90.7 | Very high | 84.2 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 6% | 0.062 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.7 | 174 | -59.7 | 87.2 | 0 | 0 | 0 | 109.6 | K679 L682 I683 I704 K705 | K679-I710 HydrophobicContact CD-CD1 4.46Å; K679-I710 HydrophobicContact CG-CB 4.13Å; K679-I710 HydrophobicContact CG-CD1 3.56Å; K679-I710 HydrophobicContact CG-CG1 4.01Å; L682-I710 HydrophobicContact CB-CG1 4.05Å; L682-I710 HydrophobicContact CD1-CG2 4.15Å; I683-I710 HydrophobicContact CB-CD1 4.26Å; I683-I710 HydrophobicContact CG1-CD1 4.29Å; I704-I710 WeakPolarHBondContact O-CA 3.29Å; K705-I710 HydrophobicContact CD-CD1 4.24Å; K705-I710 HydrophobicContact CD-CG1 4.18Å |
| 711 | R | 90.9 | Very high | 83.2 | Confident | 89 Ų | 89 | 53.5 Ų | 53.5 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 142.5 | 176.2 | -64.6 | -69.1 | -173.2 | -99.7 | -0.3 | 109.9 | S703 I704 D709 V752 | S703-R711 CarbonylContact C-O 3.54Å; S703-R711 WeakPolarHBondContact CA-O 3.31Å; I704-R711 HydrophobicContact CG2-CB 4.09Å; I704-R711 PolarHBondContact N-O 3.24Å; I704-R711 PolarHBondContact O-N 2.91Å; D709-R711 IonicContact OD2-CZ 3.74Å; D709-R711 IonicContact OD2-NH1 2.8Å; D709-R711 PolarHBondContact OD2-NH1 3.37Å; D709-R711 IonicContact OD2-NH2 3.77Å; R711-V752 HydrophobicContact CB-CG2 4.35Å; R711-V752 HydrophobicContact CG-CG2 3.92Å |
| 712 | H | 91.2 | Very high | 82.7 | Confident | 42 Ų | 42 | 55.7 Ų | 55.7 | 19% | 0.194 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126.6 | 178.2 | -53 | -91.3 | 0 | 0 | 0 | 109.6 | R675 I702 S703 | R675-H712 WeakPolarHBondContact CG-CE1 3.41Å; R675-H712 VanDerWaalsContact CG-NE2 3.28Å; R675-H712 WeakPolarHBondContact CG-NE2 2.78Å; R675-H712 PolarHBondContact NE-CD2 3.23Å; R675-H712 PolarHBondContact NE-NE2 3.41Å; I702-H712 CarbonylContact O-C 3.53Å; I702-H712 VanDerWaalsContact O-CA 3.26Å; I702-H712 WeakPolarHBondContact O-CA 3.34Å; S703-H712 WeakPolarHBondContact CB-ND1 3.4Å; S703-H712 PolarHBondContact OG-ND1 2.83Å |
| 713 | I | 91.3 | Very high | 82.1 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.056 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.1 | -176.8 | -58.6 | 170.4 | 0 | 0 | 0 | 107.3 | A701 I702 I724 L745 F749 | A701-I713 CarbonylContact C-O 3.57Å; A701-I713 VanDerWaalsContact CA-O 3.29Å; A701-I713 WeakPolarHBondContact CA-O 3.19Å; A701-I713 WeakPolarHBondContact CB-O 3.28Å; I702-I713 HydrophobicContact CB-CB 4.36Å; I702-I713 PolarHBondContact N-O 3.18Å; I702-I713 PolarHBondContact O-N 2.96Å; I713-I724 HydrophobicContact CG2-CB 3.77Å; I713-I724 HydrophobicContact CG2-CD1 4.46Å; I713-I724 HydrophobicContact CG2-CG2 3.93Å; I713-L745 HydrophobicContact CD1-CD1 3.96Å; I713-L745 HydrophobicContact CD1-CD2 4.33Å; I713-F749 HydrophobicContact CD1-CD2 4.13Å; I713-F749 HydrophobicContact CD1-CE2 4.03Å; I713-F749 HydrophobicContact CD1-CZ 4.34Å; I713-F749 HydrophobicContact CG1-CZ 4.38Å; I713-F749 HydrophobicContact CG2-CE1 4.19Å; I713-F749 HydrophobicContact CG2-CE2 4.03Å; I713-F749 HydrophobicContact CG2-CZ 3.53Å |
| 714 | K | 89.8 | Confident | 81.6 | Confident | 112 Ų | 112 | 58.9 Ų | 58.9 | 49% | 0.487 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 136.2 | 177.1 | -172.6 | 176 | -177.3 | 179.1 | 0 | 109 | E699 T716 | E699-K714 WeakPolarHBondContact OE1-CE 3.42Å; E699-K714 IonicContact OE1-NZ 2.6Å; E699-K714 PolarHBondContact OE1-NZ 3.12Å; E699-K714 WeakPolarHBondContact OE2-CE 3.44Å; E699-K714 IonicContact OE2-NZ 3.26Å; E699-K714 PolarHBondContact OE2-NZ 2.88Å; K714-T716 HydrophobicContact CD-CG2 4.49Å |
| 715 | I | 89.8 | Confident | 80.9 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 120.7 | 168.5 | -58.6 | 162.3 | 0 | 0 | 0 | 107 | V692 F700 I702 Y722 R723 I724 L733 M736 | V692-I715 HydrophobicContact CG1-CD1 4.16Å; F700-I715 HydrophobicContact CB-CB 4.04Å; F700-I715 HydrophobicContact CB-CD1 3.65Å; F700-I715 HydrophobicContact CB-CG1 4.4Å; F700-I715 WeakPolarHBondContact O-CB 3.37Å; F700-I715 PolarHBondContact O-N 3.39Å; I702-I715 HydrophobicContact CD1-CD1 4.36Å; I702-I715 HydrophobicContact CD1-CG1 4.46Å; I702-I715 HydrophobicContact CG1-CD1 3.82Å; I702-I715 HydrophobicContact CG1-CG1 4.23Å; I715-Y722 HydrophobicContact CG2-CD1 3.93Å; I715-R723 WeakPolarHBondContact CA-O 3.43Å; I715-I724 HydrophobicContact CG1-CG2 3.79Å; I715-L733 HydrophobicContact CD1-CD1 3.67Å; I715-L733 HydrophobicContact CG2-CD1 4.4Å; I715-M736 HydrophobicContact CB-CE 4.34Å; I715-M736 HydrophobicContact CD1-CE 3.58Å; I715-M736 HydrophobicContact CG1-CE 3.62Å; I715-M736 HydrophobicContact CG2-CE 3.76Å; I715-M736 HydrophobicContact CG2-SD 4.27Å |
| 716 | T | 82.1 | Confident | 80.1 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 37% | 0.368 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 129.8 | 174.4 | 50.4 | 0 | 0 | 0 | 0 | 109.2 | K714 R723 | K714-T716 HydrophobicContact CD-CG2 4.49Å; T716-R723 PolarHBondContact N-O 3.44Å; T716-R723 PolarHBondContact O-N 3.12Å; T716-R723 PolarHBondContact OG1-O 2.81Å |
| 717 | S | 74 | Confident | 79.2 | Confident | 76 Ų | 76 | 74.1 Ų | 74.1 | 53% | 0.531 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 120.7 | 169.6 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | L721 | S717-L721 WeakPolarHBondContact CA-O 3.41Å |
| 718 | C | 60.8 | Low | 78.7 | Confident | 72 Ų | 72 | 72.2 Ų | 72.2 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 128.6 | 173.3 | -172.1 | 0 | 0 | 0 | 0 | 107 | G720 L721 R723 | C718-G720 VanDerWaalsContact C-N 3.27Å; C718-G720 PolarHBondContact O-N 3.17Å; C718-L721 PolarHBondContact N-O 3.28Å; C718-L721 PolarHBondContact O-N 3.48Å; C718-R723 PolarHBondContact O-NH1 3.31Å |
| 719 | E | 53.4 | Low | 78.7 | Confident | 155 Ų | 155 | 66.6 Ų | 66.6 | 72% | 0.724 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 36.1 | -179.8 | -60.6 | 169.8 | 171.1 | 0 | 0 | 113.6 | L721 | E719-L721 PolarHBondContact O-N 3.34Š|
| 720 | G | 59.2 | Low | 78.5 | Confident | 51 Ų | 51 | 63.4 Ų | 63.4 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 1.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | C718 | C718-G720 VanDerWaalsContact C-N 3.27Å; C718-G720 PolarHBondContact O-N 3.17Å |
| 721 | L | 69.4 | Low | 77.3 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 25% | 0.251 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 138 | 176.9 | -65.9 | 174.4 | 0 | 0 | 0 | 112.1 | S717 C718 E719 A729 F730 R731 | S717-L721 WeakPolarHBondContact CA-O 3.41Å; C718-L721 PolarHBondContact N-O 3.28Å; C718-L721 PolarHBondContact O-N 3.48Å; E719-L721 PolarHBondContact O-N 3.34Å; L721-A729 HydrophobicContact CB-CB 4.32Å; L721-A729 HydrophobicContact CD1-CB 4.25Å; L721-F730 WeakPolarHBondContact CA-O 3.35Å; L721-F730 WeakPolarHBondContact CD2-O 3.35Å; L721-R731 HydrophobicContact CD2-CG 4.15Å |
| 722 | Y | 79.6 | Confident | 76.7 | Confident | 55 Ų | 55 | 67.5 Ų | 67.5 | 22% | 0.216 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.9 | -179.5 | -64.7 | -95.5 | 0 | 0 | 0 | 110.9 | F700 I715 F730 L733 | F700-Y722 HydrophobicContact CD2-CE1 4.07Å; F700-Y722 HydrophobicContact CE2-CE1 4.2Å; I715-Y722 HydrophobicContact CG2-CD1 3.93Å; Y722-F730 PolarHBondContact N-O 3.2Å; Y722-F730 WeakPolarHBondContact O-CD2 3.26Å; Y722-F730 PolarHBondContact O-N 3.09Å; Y722-L733 HydrophobicContact CD1-CB 4.06Å; Y722-L733 HydrophobicContact CD1-CD1 4.1Å; Y722-L733 HydrophobicContact CE1-CB 4.03Å; Y722-L733 HydrophobicContact CE2-CB 4.5Å; Y722-L733 HydrophobicContact CG-CB 4.3Å |
| 723 | R | 81.9 | Confident | 76.3 | Confident | 54 Ų | 54 | 65.8 Ų | 65.8 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.2 | -177.8 | -65.4 | 175.2 | -172.7 | 89.4 | -5.1 | 110.4 | I715 T716 C718 A729 | I715-R723 WeakPolarHBondContact CA-O 3.43Å; T716-R723 PolarHBondContact N-O 3.44Å; T716-R723 PolarHBondContact O-N 3.12Å; T716-R723 PolarHBondContact OG1-O 2.81Å; C718-R723 PolarHBondContact O-NH1 3.31Å; R723-A729 HydrophobicContact CG-CB 3.72Å; R723-A729 VanDerWaalsContact NE-CB 3.31Å |
| 724 | I | 84.4 | Confident | 76.2 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -8.9 | 162.6 | 63.2 | 175 | 0 | 0 | 0 | 112.5 | I702 I713 I715 M736 Y740 L745 F749 | I702-I724 HydrophobicContact CD1-CG2 4.07Å; I713-I724 HydrophobicContact CG2-CB 3.77Å; I713-I724 HydrophobicContact CG2-CD1 4.46Å; I713-I724 HydrophobicContact CG2-CG2 3.93Å; I715-I724 HydrophobicContact CG1-CG2 3.79Å; I724-M736 HydrophobicContact CG2-CE 3.87Å; I724-M736 HydrophobicContact CG2-SD 3.84Å; I724-Y740 HydrophobicContact CD1-CD1 4.27Å; I724-Y740 HydrophobicContact CD1-CD2 3.62Å; I724-Y740 HydrophobicContact CD1-CE1 3.97Å; I724-Y740 HydrophobicContact CD1-CE2 3.27Å; I724-Y740 HydrophobicContact CD1-CG 4.12Å; I724-Y740 VanDerWaalsContact CD1-CZ 3.46Å; I724-Y740 HydrophobicContact CG1-CD2 4.38Å; I724-Y740 HydrophobicContact CG1-CE2 3.6Å; I724-L745 HydrophobicContact CD1-CD2 3.63Å; I724-F749 HydrophobicContact CB-CZ 4.46Å; I724-F749 HydrophobicContact CD1-CE2 3.85Å; I724-F749 HydrophobicContact CG1-CE2 4.2Å; I724-F749 WeakPolarHBondContact O-CZ 3.43Å |
| 725 | N | 80.1 | Confident | 75.9 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 11% | 0.107 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 164.6 | 173.9 | 65.6 | 60.4 | 0 | 0 | 0 | 109.3 | K727 K728 Y740 Y748 | N725-K727 PolarHBondContact O-N 2.9Å; N725-K727 WeakPolarHBondContact OD1-CA 3.3Å; N725-K727 WeakPolarHBondContact OD1-CB 3.43Å; N725-K727 PolarHBondContact OD1-N 3.11Å; N725-K728 PolarHBondContact OD1-N 3.47Å; N725-Y740 PolarHBondContact ND2-OH 2.84Å; N725-Y748 HydrophobicContact CB-CD1 4.36Å; N725-Y748 HydrophobicContact CB-CG 4.45Å; N725-Y748 WeakPolarHBondContact ND2-CD1 3.19Å; N725-Y748 WeakPolarHBondContact ND2-CD2 3.37Å |
| 726 | D | 73.2 | Confident | 75.9 | Confident | 158 Ų | 158 | 65.7 Ų | 65.7 | 85% | 0.845 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -8.8 | -176.1 | -56.4 | -39.6 | 0 | 0 | 0 | 113.9 | ||
| 727 | K | 71.2 | Confident | 76.4 | Confident | 178 Ų | 178 | 62.9 Ų | 62.9 | 77% | 0.774 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -24.2 | -174 | -65.4 | -176.1 | 174 | -174.9 | 0 | 113.4 | N725 Y748 | N725-K727 PolarHBondContact O-N 2.9Å; N725-K727 WeakPolarHBondContact OD1-CA 3.3Å; N725-K727 WeakPolarHBondContact OD1-CB 3.43Å; N725-K727 PolarHBondContact OD1-N 3.11Å; K727-Y748 HydrophobicContact CB-CE1 3.97Å; K727-Y748 HydrophobicContact CD-CD1 4.19Å; K727-Y748 HydrophobicContact CD-CE1 3.82Å; K727-Y748 HydrophobicContact CG-CE1 4.46Å |
| 728 | K | 75 | Confident | 77 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 30% | 0.304 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 125.4 | -175.3 | -164 | 165.4 | -174.4 | 162.6 | 0 | 113.1 | N725 F730 F739 | N725-K728 PolarHBondContact OD1-N 3.47Å; K728-F730 HydrophobicContact CB-CE2 4.32Å; K728-F730 HydrophobicContact CD-CE1 4.32Å; K728-F730 HydrophobicContact CD-CE2 4.25Å; K728-F730 HydrophobicContact CD-CZ 3.65Å; K728-F730 HydrophobicContact CG-CE1 4.4Å; K728-F730 HydrophobicContact CG-CE2 3.82Å; K728-F730 HydrophobicContact CG-CZ 3.68Å; K728-F739 HydrophobicContact CD-CD1 4.49Å; K728-F739 HydrophobicContact CD-CE1 3.98Å; K728-F739 HydrophobicContact CD-CZ 4.11Å |
| 729 | A | 79.4 | Confident | 78.3 | Confident | 43 Ų | 43 | 62.5 Ų | 62.5 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 148.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L721 R723 | L721-A729 HydrophobicContact CB-CB 4.32Å; L721-A729 HydrophobicContact CD1-CB 4.25Å; R723-A729 HydrophobicContact CG-CB 3.72Å; R723-A729 VanDerWaalsContact NE-CB 3.31Å |
| 730 | F | 81 | Confident | 80.1 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 146.9 | -176.7 | -59.4 | -91.1 | 0 | 0 | 0 | 110.9 | L721 Y722 K728 G732 E735 M736 F739 Y740 | L721-F730 WeakPolarHBondContact CA-O 3.35Å; L721-F730 WeakPolarHBondContact CD2-O 3.35Å; Y722-F730 PolarHBondContact N-O 3.2Å; Y722-F730 WeakPolarHBondContact O-CD2 3.26Å; Y722-F730 PolarHBondContact O-N 3.09Å; K728-F730 HydrophobicContact CB-CE2 4.32Å; K728-F730 HydrophobicContact CD-CE1 4.32Å; K728-F730 HydrophobicContact CD-CE2 4.25Å; K728-F730 HydrophobicContact CD-CZ 3.65Å; K728-F730 HydrophobicContact CG-CE1 4.4Å; K728-F730 HydrophobicContact CG-CE2 3.82Å; K728-F730 HydrophobicContact CG-CZ 3.68Å; F730-G732 VanDerWaalsContact C-N 3.25Å; F730-G732 PolarHBondContact O-N 3.44Å; F730-E735 HydrophobicContact CD1-CG 4.18Å; F730-M736 HydrophobicContact CB-CB 3.75Å; F730-M736 HydrophobicContact CB-CG 4.48Å; F730-M736 HydrophobicContact CD1-CB 4.16Å; F730-M736 HydrophobicContact CD2-CB 3.57Å; F730-M736 HydrophobicContact CD2-CG 3.39Å; F730-M736 HydrophobicContact CD2-SD 4.07Å; F730-M736 HydrophobicContact CE2-CB 4.19Å; F730-M736 HydrophobicContact CE2-CG 3.65Å; F730-M736 HydrophobicContact CG-CB 3.55Å; F730-M736 HydrophobicContact CG-CG 3.93Å; F730-M736 HydrophobicContact CZ-CG 4.37Å; F730-F739 HydrophobicContact CD1-CB 4.4Å; F730-F739 HydrophobicContact CE1-CB 3.48Å; F730-F739 VanDerWaalsContact CE1-CB 3.48Å; F730-F739 AromaticContact CE1-CD1 3.87Å; F730-F739 HydrophobicContact CE1-CD1 3.87Å; F730-F739 HydrophobicContact CE1-CD2 4.17Å; F730-F739 AromaticContact CE1-CG 3.54Å; F730-F739 HydrophobicContact CE1-CG 3.54Å; F730-F739 HydrophobicContact CZ-CB 3.91Å; F730-F739 AromaticContact CZ-CD1 3.48Å; F730-F739 HydrophobicContact CZ-CD1 3.48Å; F730-F739 VanDerWaalsContact CZ-CD1 3.48Å; F730-F739 HydrophobicContact CZ-CE1 4.21Å; F730-F739 AromaticContact CZ-CG 3.7Å; F730-F739 HydrophobicContact CZ-CG 3.7Å; F730-Y740 AromaticContact CE2-CE2 3.71Å; F730-Y740 HydrophobicContact CE2-CE2 3.71Å; F730-Y740 AromaticContact CZ-CE2 3.87Å; F730-Y740 HydrophobicContact CZ-CE2 3.87Å |
| 731 | R | 65.3 | Low | 81.5 | Confident | 165 Ų | 165 | 55.6 Ų | 55.6 | 62% | 0.623 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -77.1 | -13.4 | -176.4 | -65.3 | 178.8 | 173.9 | -159.8 | -8.6 | 112.7 | G619 L721 E735 | G619-R731 PolarHBondContact O-NH2 3.29Å; G619-R731 VanDerWaalsContact O-NH2 3.14Å; L721-R731 HydrophobicContact CD2-CG 4.15Å; R731-E735 PolarHBondContact N-OE2 3.48Å |
| 732 | G | 79 | Confident | 82.4 | Confident | 21 Ų | 21 | 61.6 Ų | 61.6 | 22% | 0.216 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -154.9 | 156.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F730 I734 E735 M736 | F730-G732 VanDerWaalsContact C-N 3.25Å; F730-G732 PolarHBondContact O-N 3.44Å; G732-I734 VanDerWaalsContact C-N 3.28Å; G732-I734 PolarHBondContact O-N 3.28Å; G732-E735 PolarHBondContact O-N 3.09Å; G732-M736 PolarHBondContact O-N 3.49Å |
| 733 | L | 83.2 | Confident | 82.7 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.1 | -41.2 | 177.6 | -179.5 | 62.6 | 0 | 0 | 0 | 111.7 | L663 W668 V692 F700 I715 Y722 M736 I737 | L663-L733 HydrophobicContact CD1-CD2 3.93Å; L663-L733 HydrophobicContact CD2-CD2 4.47Å; W668-L733 HydrophobicContact CH2-CD2 4.45Å; W668-L733 HydrophobicContact CH2-CG 4.4Å; V692-L733 HydrophobicContact CG1-CD2 4.47Å; F700-L733 HydrophobicContact CD1-CD2 3.86Å; F700-L733 HydrophobicContact CD2-CD2 4.09Å; F700-L733 HydrophobicContact CE1-CD2 3.95Å; F700-L733 HydrophobicContact CE2-CD2 4.17Å; F700-L733 HydrophobicContact CG-CD2 3.94Å; F700-L733 HydrophobicContact CZ-CD2 4.09Å; I715-L733 HydrophobicContact CD1-CD1 3.67Å; I715-L733 HydrophobicContact CG2-CD1 4.4Å; Y722-L733 HydrophobicContact CD1-CB 4.06Å; Y722-L733 HydrophobicContact CD1-CD1 4.1Å; Y722-L733 HydrophobicContact CE1-CB 4.03Å; Y722-L733 HydrophobicContact CE2-CB 4.5Å; Y722-L733 HydrophobicContact CG-CB 4.3Å; L733-M736 HydrophobicContact CD1-CE 3.69Å; L733-M736 WeakPolarHBondContact O-CB 3.14Å; L733-M736 PolarHBondContact O-N 3.41Å; L733-I737 WeakPolarHBondContact O-CG1 3.44Å; L733-I737 PolarHBondContact O-N 3.11Å |
| 734 | I | 87.6 | Confident | 83 | Confident | 32 Ų | 32 | 61.3 Ų | 61.3 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.9 | -49 | -179 | -61.4 | 161.1 | 0 | 0 | 0 | 110.9 | P661 L663 F666 W668 G732 M736 I737 E738 | P661-I734 HydrophobicContact CB-CD1 3.97Å; P661-I734 HydrophobicContact CG-CD1 3.67Å; L663-I734 HydrophobicContact CD2-CD1 4.09Å; L663-I734 HydrophobicContact CD2-CG1 3.89Å; F666-I734 HydrophobicContact CE1-CD1 4.4Å; F666-I734 HydrophobicContact CE1-CG1 4.32Å; F666-I734 HydrophobicContact CE1-CG2 3.87Å; F666-I734 HydrophobicContact CE2-CD1 3.64Å; F666-I734 HydrophobicContact CE2-CG1 4.06Å; F666-I734 HydrophobicContact CZ-CD1 3.5Å; F666-I734 VanDerWaalsContact CZ-CD1 3.5Å; F666-I734 HydrophobicContact CZ-CG1 3.85Å; F666-I734 HydrophobicContact CZ-CG2 3.99Å; W668-I734 HydrophobicContact CH2-CG1 4.48Å; W668-I734 HydrophobicContact CZ2-CG1 4.23Å; G732-I734 VanDerWaalsContact C-N 3.28Å; G732-I734 PolarHBondContact O-N 3.28Å; I734-M736 VanDerWaalsContact C-N 3.28Å; I734-M736 PolarHBondContact O-N 3.26Å; I734-I737 PolarHBondContact O-N 2.79Å; I734-I737 VanDerWaalsContact O-N 3.08Å; I734-E738 HydrophobicContact CG2-CG 4.34Å; I734-E738 WeakPolarHBondContact O-CG 3.47Å; I734-E738 PolarHBondContact O-N 3.11Å |
| 735 | E | 84.4 | Confident | 83.1 | Confident | 93 Ų | 93 | 60.7 Ų | 60.7 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.7 | -42.3 | 178.6 | -175.3 | -169.5 | -164.9 | 0 | 0 | 111.4 | F730 R731 G732 E738 F739 | F730-E735 HydrophobicContact CD1-CG 4.18Å; R731-E735 PolarHBondContact N-OE2 3.48Å; G732-E735 PolarHBondContact O-N 3.09Å; E735-E738 PolarHBondContact O-N 3.3Å; E735-F739 WeakPolarHBondContact O-CB 3.3Å; E735-F739 PolarHBondContact O-N 2.91Å |
| 736 | M | 90.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 175.4 | -176.9 | -178.9 | 79.9 | 0 | 0 | 111.8 | I702 I715 I724 F730 G732 L733 I734 F739 Y740 | I702-M736 HydrophobicContact CD1-CE 4.43Å; I715-M736 HydrophobicContact CB-CE 4.34Å; I715-M736 HydrophobicContact CD1-CE 3.58Å; I715-M736 HydrophobicContact CG1-CE 3.62Å; I715-M736 HydrophobicContact CG2-CE 3.76Å; I715-M736 HydrophobicContact CG2-SD 4.27Å; I724-M736 HydrophobicContact CG2-CE 3.87Å; I724-M736 HydrophobicContact CG2-SD 3.84Å; F730-M736 HydrophobicContact CB-CB 3.75Å; F730-M736 HydrophobicContact CB-CG 4.48Å; F730-M736 HydrophobicContact CD1-CB 4.16Å; F730-M736 HydrophobicContact CD2-CB 3.57Å; F730-M736 HydrophobicContact CD2-CG 3.39Å; F730-M736 HydrophobicContact CD2-SD 4.07Å; F730-M736 HydrophobicContact CE2-CB 4.19Å; F730-M736 HydrophobicContact CE2-CG 3.65Å; F730-M736 HydrophobicContact CG-CB 3.55Å; F730-M736 HydrophobicContact CG-CG 3.93Å; F730-M736 HydrophobicContact CZ-CG 4.37Å; G732-M736 PolarHBondContact O-N 3.49Å; L733-M736 HydrophobicContact CD1-CE 3.69Å; L733-M736 WeakPolarHBondContact O-CB 3.14Å; L733-M736 PolarHBondContact O-N 3.41Å; I734-M736 VanDerWaalsContact C-N 3.28Å; I734-M736 PolarHBondContact O-N 3.26Å; M736-F739 PolarHBondContact O-N 3.02Å; M736-Y740 HydrophobicContact CG-CD2 3.99Å; M736-Y740 HydrophobicContact CG-CE2 3.97Å; M736-Y740 VanDerWaalsContact O-CD2 3.24Å; M736-Y740 WeakPolarHBondContact O-CD2 3.42Å; M736-Y740 PolarHBondContact O-N 3.4Å; M736-Y740 VanDerWaalsContact O-N 3.16Å |
| 737 | I | 91.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.5 | -51.4 | 178.5 | -64.4 | -57.9 | 0 | 0 | 0 | 109.8 | W668 F690 V692 I702 L733 I734 F739 Y740 Q741 L756 | W668-I737 HydrophobicContact CD2-CG2 4.13Å; W668-I737 HydrophobicContact CG-CG2 4.31Å; W668-I737 HydrophobicContact CH2-CG1 4.09Å; W668-I737 HydrophobicContact CZ2-CB 4.28Å; W668-I737 HydrophobicContact CZ2-CG1 4.2Å; W668-I737 HydrophobicContact CZ2-CG2 4.31Å; W668-I737 HydrophobicContact CZ3-CG1 4.26Å; F690-I737 HydrophobicContact CE2-CG2 3.86Å; F690-I737 HydrophobicContact CZ-CG2 4.04Å; V692-I737 HydrophobicContact CG2-CD1 3.56Å; V692-I737 HydrophobicContact CG2-CG1 4.11Å; I702-I737 HydrophobicContact CD1-CD1 3.78Å; I702-I737 HydrophobicContact CG1-CD1 3.94Å; L733-I737 WeakPolarHBondContact O-CG1 3.44Å; L733-I737 PolarHBondContact O-N 3.11Å; I734-I737 PolarHBondContact O-N 2.79Å; I734-I737 VanDerWaalsContact O-N 3.08Å; I737-F739 VanDerWaalsContact C-N 3.25Å; I737-F739 PolarHBondContact O-N 3.37Å; I737-Y740 CarbonylContact O-C 3.56Å; I737-Y740 PolarHBondContact O-N 3.35Å; I737-Q741 HydrophobicContact CG2-CG 4.23Å; I737-Q741 WeakPolarHBondContact O-CG 3.45Å; I737-Q741 PolarHBondContact O-N 3.15Å; I737-L756 HydrophobicContact CD1-CD1 3.86Å; I737-L756 HydrophobicContact CG2-CD1 4.1Å |
| 738 | E | 88.3 | Confident | 83.7 | Confident | 95 Ų | 95 | 58 Ų | 58 | 44% | 0.444 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.4 | -38.4 | 178.6 | -71.7 | -179.7 | 172.8 | 0 | 0 | 112.8 | I734 E735 Q741 K742 | I734-E738 HydrophobicContact CG2-CG 4.34Å; I734-E738 WeakPolarHBondContact O-CG 3.47Å; I734-E738 PolarHBondContact O-N 3.11Å; E735-E738 PolarHBondContact O-N 3.3Å; E738-Q741 PolarHBondContact O-N 3.09Å; E738-K742 PolarHBondContact O-N 2.87Å |
| 739 | F | 88 | Confident | 84.1 | Confident | 45 Ų | 45 | 57.4 Ų | 57.4 | 20% | 0.197 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 174.5 | 180 | -93.1 | 0 | 0 | 0 | 111.4 | K728 F730 E735 M736 I737 Q741 K742 N743 | K728-F739 HydrophobicContact CD-CD1 4.49Å; K728-F739 HydrophobicContact CD-CE1 3.98Å; K728-F739 HydrophobicContact CD-CZ 4.11Å; F730-F739 HydrophobicContact CD1-CB 4.4Å; F730-F739 HydrophobicContact CE1-CB 3.48Å; F730-F739 VanDerWaalsContact CE1-CB 3.48Å; F730-F739 AromaticContact CE1-CD1 3.87Å; F730-F739 HydrophobicContact CE1-CD1 3.87Å; F730-F739 HydrophobicContact CE1-CD2 4.17Å; F730-F739 AromaticContact CE1-CG 3.54Å; F730-F739 HydrophobicContact CE1-CG 3.54Å; F730-F739 HydrophobicContact CZ-CB 3.91Å; F730-F739 AromaticContact CZ-CD1 3.48Å; F730-F739 HydrophobicContact CZ-CD1 3.48Å; F730-F739 VanDerWaalsContact CZ-CD1 3.48Å; F730-F739 HydrophobicContact CZ-CE1 4.21Å; F730-F739 AromaticContact CZ-CG 3.7Å; F730-F739 HydrophobicContact CZ-CG 3.7Å; E735-F739 WeakPolarHBondContact O-CB 3.3Å; E735-F739 PolarHBondContact O-N 2.91Å; M736-F739 PolarHBondContact O-N 3.02Å; I737-F739 VanDerWaalsContact C-N 3.25Å; I737-F739 PolarHBondContact O-N 3.37Å; F739-Q741 VanDerWaalsContact C-N 3.32Å; F739-Q741 PolarHBondContact O-N 3.44Å; F739-K742 PolarHBondContact O-N 3.11Å; F739-K742 VanDerWaalsContact O-N 3.11Å; F739-N743 HydrophobicContact CD1-CB 4.19Å; F739-N743 WeakPolarHBondContact CD2-ND2 3.4Å; F739-N743 HydrophobicContact CE1-CB 3.62Å; F739-N743 HydrophobicContact CE2-CB 4.31Å; F739-N743 WeakPolarHBondContact CE2-ND2 3.31Å; F739-N743 HydrophobicContact CZ-CB 3.65Å; F739-N743 VanDerWaalsContact CZ-ND2 3.33Å; F739-N743 WeakPolarHBondContact CZ-ND2 3.12Å; F739-N743 WeakPolarHBondContact O-CB 3.33Å; F739-N743 PolarHBondContact O-N 3.35Å; F739-N743 PolarHBondContact O-ND2 3.46Å |
| 740 | Y | 90.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -80 | -8.3 | -179.5 | -70.3 | -67 | 0 | 0 | 0 | 114.4 | I724 N725 F730 M736 I737 K742 L745 Y748 T755 L756 | I724-Y740 HydrophobicContact CD1-CD1 4.27Å; I724-Y740 HydrophobicContact CD1-CD2 3.62Å; I724-Y740 HydrophobicContact CD1-CE1 3.97Å; I724-Y740 HydrophobicContact CD1-CE2 3.27Å; I724-Y740 HydrophobicContact CD1-CG 4.12Å; I724-Y740 VanDerWaalsContact CD1-CZ 3.46Å; I724-Y740 HydrophobicContact CG1-CD2 4.38Å; I724-Y740 HydrophobicContact CG1-CE2 3.6Å; N725-Y740 PolarHBondContact ND2-OH 2.84Å; F730-Y740 AromaticContact CE2-CE2 3.71Å; F730-Y740 HydrophobicContact CE2-CE2 3.71Å; F730-Y740 AromaticContact CZ-CE2 3.87Å; F730-Y740 HydrophobicContact CZ-CE2 3.87Å; M736-Y740 HydrophobicContact CG-CD2 3.99Å; M736-Y740 HydrophobicContact CG-CE2 3.97Å; M736-Y740 VanDerWaalsContact O-CD2 3.24Å; M736-Y740 WeakPolarHBondContact O-CD2 3.42Å; M736-Y740 PolarHBondContact O-N 3.4Å; M736-Y740 VanDerWaalsContact O-N 3.16Å; I737-Y740 CarbonylContact O-C 3.56Å; I737-Y740 PolarHBondContact O-N 3.35Å; Y740-K742 VanDerWaalsContact C-N 3.27Å; Y740-L745 HydrophobicContact CD1-CD2 3.6Å; Y740-L745 HydrophobicContact CD1-CG 4.42Å; Y740-L745 HydrophobicContact CE1-CD2 4.05Å; Y740-L745 HydrophobicContact CG-CD2 3.97Å; Y740-Y748 HydrophobicContact CE1-CD2 4.31Å; Y740-Y748 HydrophobicContact CE1-CE2 4.44Å; Y740-T755 WeakPolarHBondContact O-CA 2.92Å; Y740-T755 WeakPolarHBondContact O-CB 3.46Å; Y740-L756 PolarHBondContact O-N 3Å |
| 741 | Q | 89.3 | Confident | 83.6 | Confident | 61 Ų | 61 | 69.8 Ų | 69.8 | 29% | 0.285 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.3 | -30.5 | 162.6 | -67 | -171.5 | -65.9 | 0 | 0 | 111.3 | F690 I737 E738 F739 T755 L756 | F690-Q741 HydrophobicContact CZ-CG 4.27Å; I737-Q741 HydrophobicContact CG2-CG 4.23Å; I737-Q741 WeakPolarHBondContact O-CG 3.45Å; I737-Q741 PolarHBondContact O-N 3.15Å; E738-Q741 PolarHBondContact O-N 3.09Å; F739-Q741 VanDerWaalsContact C-N 3.32Å; F739-Q741 PolarHBondContact O-N 3.44Å; Q741-T755 WeakPolarHBondContact O-CB 3.38Å; Q741-L756 HydrophobicContact CG-CB 3.88Å; Q741-L756 WeakPolarHBondContact CG-O 3.42Å |
| 742 | K | 86.8 | Confident | 84.4 | Confident | 174 Ų | 174 | 62.3 Ų | 62.3 | 76% | 0.757 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -99.8 | -25.4 | -178.5 | -63.4 | 176.7 | -176.3 | 171.7 | 0 | 114 | E738 F739 Y740 | E738-K742 PolarHBondContact O-N 2.87Å; F739-K742 PolarHBondContact O-N 3.11Å; F739-K742 VanDerWaalsContact O-N 3.11Å; Y740-K742 VanDerWaalsContact C-N 3.27Å |
| 743 | N | 86 | Confident | 84.8 | Confident | 64 Ų | 64 | 64.6 Ų | 64.6 | 34% | 0.342 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -116 | 130.6 | -174.2 | -63.4 | -89.2 | 0 | 0 | 0 | 111.2 | F739 | F739-N743 HydrophobicContact CD1-CB 4.19Å; F739-N743 WeakPolarHBondContact CD2-ND2 3.4Å; F739-N743 HydrophobicContact CE1-CB 3.62Å; F739-N743 HydrophobicContact CE2-CB 4.31Å; F739-N743 WeakPolarHBondContact CE2-ND2 3.31Å; F739-N743 HydrophobicContact CZ-CB 3.65Å; F739-N743 VanDerWaalsContact CZ-ND2 3.33Å; F739-N743 WeakPolarHBondContact CZ-ND2 3.12Å; F739-N743 WeakPolarHBondContact O-CB 3.33Å; F739-N743 PolarHBondContact O-N 3.35Å; F739-N743 PolarHBondContact O-ND2 3.46Å |
| 744 | S | 88 | Confident | 85.1 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 28% | 0.28 | 31% | 0.305 | S | S | . | . | trans | -63.6 | 139.3 | -175.5 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | K746 D753 | S744-K746 PolarHBondContact O-N 2.9Å; S744-K746 WeakPolarHBondContact OG-CB 3.25Å; S744-K746 PolarHBondContact OG-N 3.44Å; S744-D753 PolarHBondContact OG-OD1 2.8Å | ||
| 745 | L | 87.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -69 | -14.2 | 173.4 | -70.2 | 167.8 | 0 | 0 | 0 | 112.6 | I713 I724 Y740 E747 Y748 F749 V752 T754 L756 | I713-L745 HydrophobicContact CD1-CD1 3.96Å; I713-L745 HydrophobicContact CD1-CD2 4.33Å; I724-L745 HydrophobicContact CD1-CD2 3.63Å; Y740-L745 HydrophobicContact CD1-CD2 3.6Å; Y740-L745 HydrophobicContact CD1-CG 4.42Å; Y740-L745 HydrophobicContact CE1-CD2 4.05Å; Y740-L745 HydrophobicContact CG-CD2 3.97Å; L745-E747 PolarHBondContact O-N 3.13Å; L745-E747 VanDerWaalsContact O-N 3.13Å; L745-Y748 PolarHBondContact O-N 3.42Å; L745-F749 HydrophobicContact CB-CD2 4.22Å; L745-F749 HydrophobicContact CD2-CD2 4.13Å; L745-F749 HydrophobicContact CD2-CE2 4.26Å; L745-F749 PolarHBondContact O-N 3.3Å; L745-V752 CarbonylContact C-O 3.56Å; L745-V752 HydrophobicContact CB-CG1 4.29Å; L745-V752 WeakPolarHBondContact CB-O 3.22Å; L745-V752 HydrophobicContact CD1-CG1 4.11Å; L745-T754 WeakPolarHBondContact CB-O 3.26Å; L745-T754 PolarHBondContact N-O 3.19Å; L745-L756 HydrophobicContact CD1-CD2 3.98Å |
| 746 | K | 84.5 | Confident | 85.5 | Confident | 106 Ų | 106 | 59.9 Ų | 59.9 | 46% | 0.461 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -52.6 | -37.6 | -177.8 | -164.2 | -166.6 | -161 | 148.8 | 0 | 113.7 | S744 Y748 F749 V752 D753 | S744-K746 PolarHBondContact O-N 2.9Å; S744-K746 WeakPolarHBondContact OG-CB 3.25Å; S744-K746 PolarHBondContact OG-N 3.44Å; K746-Y748 PolarHBondContact O-N 3.12Å; K746-Y748 VanDerWaalsContact O-N 3.11Å; K746-F749 WeakPolarHBondContact CA-O 3.46Å; K746-F749 CarbonylContact O-C 3.39Å; K746-V752 PolarHBondContact N-O 2.81Å; K746-V752 VanDerWaalsContact N-O 3.12Å; K746-D753 HydrophobicContact CB-CB 3.96Å; K746-D753 WeakPolarHBondContact CB-OD1 3.36Å; K746-D753 HydrophobicContact CD-CB 4.06Å; K746-D753 VanDerWaalsContact CD-CG 3.42Å; K746-D753 VanDerWaalsContact CD-OD2 3.25Å; K746-D753 WeakPolarHBondContact CD-OD2 3.4Å; K746-D753 VanDerWaalsContact CE-OD2 3.24Å; K746-D753 WeakPolarHBondContact CE-OD2 3.49Å; K746-D753 HydrophobicContact CG-CB 3.83Å; K746-D753 IonicContact NZ-OD2 3.86Å; K746-D753 PolarHBondContact NZ-OD2 3.24Å |
| 747 | E | 74.7 | Confident | 85.3 | Confident | 135 Ų | 135 | 67 Ų | 67 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -57.6 | -28.9 | -175.9 | -170.7 | -178.5 | -173.2 | 0 | 0 | 111.5 | L745 | L745-E747 PolarHBondContact O-N 3.13Å; L745-E747 VanDerWaalsContact O-N 3.13Å |
| 748 | Y | 77.9 | Confident | 85.1 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 23% | 0.227 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -27.2 | -175.7 | -52.4 | -76.4 | 0 | 0 | 0 | 113.3 | N725 K727 Y740 L745 K746 | N725-Y748 HydrophobicContact CB-CD1 4.36Å; N725-Y748 HydrophobicContact CB-CG 4.45Å; N725-Y748 WeakPolarHBondContact ND2-CD1 3.19Å; N725-Y748 WeakPolarHBondContact ND2-CD2 3.37Å; K727-Y748 HydrophobicContact CB-CE1 3.97Å; K727-Y748 HydrophobicContact CD-CD1 4.19Å; K727-Y748 HydrophobicContact CD-CE1 3.82Å; K727-Y748 HydrophobicContact CG-CE1 4.46Å; Y740-Y748 HydrophobicContact CE1-CD2 4.31Å; Y740-Y748 HydrophobicContact CE1-CE2 4.44Å; L745-Y748 PolarHBondContact O-N 3.42Å; K746-Y748 PolarHBondContact O-N 3.12Å; K746-Y748 VanDerWaalsContact O-N 3.11Å |
| 749 | F | 82.5 | Confident | 85.2 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 25% | 0.25 | 30% | 0.304 | C | S | . | . | trans | -120.8 | 87.4 | 175.6 | -55.6 | -79 | 0 | 0 | 0 | 107.8 | I713 I724 L745 K746 D751 V752 | I713-F749 HydrophobicContact CD1-CD2 4.13Å; I713-F749 HydrophobicContact CD1-CE2 4.03Å; I713-F749 HydrophobicContact CD1-CZ 4.34Å; I713-F749 HydrophobicContact CG1-CZ 4.38Å; I713-F749 HydrophobicContact CG2-CE1 4.19Å; I713-F749 HydrophobicContact CG2-CE2 4.03Å; I713-F749 HydrophobicContact CG2-CZ 3.53Å; I724-F749 HydrophobicContact CB-CZ 4.46Å; I724-F749 HydrophobicContact CD1-CE2 3.85Å; I724-F749 HydrophobicContact CG1-CE2 4.2Å; I724-F749 WeakPolarHBondContact O-CZ 3.43Å; L745-F749 HydrophobicContact CB-CD2 4.22Å; L745-F749 HydrophobicContact CD2-CD2 4.13Å; L745-F749 HydrophobicContact CD2-CE2 4.26Å; L745-F749 PolarHBondContact O-N 3.3Å; K746-F749 WeakPolarHBondContact CA-O 3.46Å; K746-F749 CarbonylContact O-C 3.39Å; F749-D751 PolarHBondContact O-N 2.93Å; F749-V752 HydrophobicContact CB-CB 4.02Å; F749-V752 HydrophobicContact CB-CG2 4.18Å; F749-V752 CarbonylContact O-C 3.51Å; F749-V752 PolarHBondContact O-N 2.95Å | ||
| 750 | K | 74.8 | Confident | 85.1 | Confident | 183 Ų | 183 | 65 Ų | 65 | 80% | 0.796 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -27.6 | -173.8 | -65.7 | -175.6 | -179.6 | 179.9 | 0 | 113.5 | ||
| 751 | D | 75.4 | Confident | 84.7 | Confident | 129 Ų | 129 | 69.1 Ų | 69.1 | 69% | 0.69 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 6.7 | -179.7 | -52.2 | -42.5 | 0 | 0 | 0 | 114.2 | F706 F749 | F706-D751 WeakPolarHBondContact CE1-O 3.42Å; F749-D751 PolarHBondContact O-N 2.93Å |
| 752 | V | 83.1 | Confident | 84.1 | Confident | 8 Ų | 8 | 71 Ų | 71 | 5% | 0.048 | 33% | 0.33 | C | S | . | . | trans | -134.1 | 74.9 | 180 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | F706 R711 L745 K746 F749 T754 | F706-V752 HydrophobicContact CD1-CB 4.49Å; F706-V752 HydrophobicContact CD1-CG1 4.31Å; F706-V752 HydrophobicContact CG-CG1 4.3Å; R711-V752 HydrophobicContact CB-CG2 4.35Å; R711-V752 HydrophobicContact CG-CG2 3.92Å; L745-V752 CarbonylContact C-O 3.56Å; L745-V752 HydrophobicContact CB-CG1 4.29Å; L745-V752 WeakPolarHBondContact CB-O 3.22Å; L745-V752 HydrophobicContact CD1-CG1 4.11Å; K746-V752 PolarHBondContact N-O 2.81Å; K746-V752 VanDerWaalsContact N-O 3.12Å; F749-V752 HydrophobicContact CB-CB 4.02Å; F749-V752 HydrophobicContact CB-CG2 4.18Å; F749-V752 CarbonylContact O-C 3.51Å; F749-V752 PolarHBondContact O-N 2.95Å; V752-T754 VanDerWaalsContact C-N 3.27Å; V752-T754 HydrophobicContact CG1-CG2 3.88Å; V752-T754 PolarHBondContact O-N 2.71Å; V752-T754 VanDerWaalsContact O-N 3.07Å | ||
| 753 | D | 87.8 | Confident | 83 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | trans | -85.3 | 69.1 | 176.4 | -167.1 | 6.7 | 0 | 0 | 0 | 111.9 | F706 S744 K746 | F706-D753 WeakPolarHBondContact CE2-O 3.31Å; F706-D753 HydrophobicContact CZ-CB 4.31Å; F706-D753 VanDerWaalsContact CZ-N 3.34Å; S744-D753 PolarHBondContact OG-OD1 2.8Å; K746-D753 HydrophobicContact CB-CB 3.96Å; K746-D753 WeakPolarHBondContact CB-OD1 3.36Å; K746-D753 HydrophobicContact CD-CB 4.06Å; K746-D753 VanDerWaalsContact CD-CG 3.42Å; K746-D753 VanDerWaalsContact CD-OD2 3.25Å; K746-D753 WeakPolarHBondContact CD-OD2 3.4Å; K746-D753 VanDerWaalsContact CE-OD2 3.24Å; K746-D753 WeakPolarHBondContact CE-OD2 3.49Å; K746-D753 HydrophobicContact CG-CB 3.83Å; K746-D753 IonicContact NZ-OD2 3.86Å; K746-D753 PolarHBondContact NZ-OD2 3.24Å | ||
| 754 | T | 87.5 | Confident | 81.8 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | trans | -150.3 | 164.1 | 173.8 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | I704 F706 L745 V752 R757 | I704-T754 HydrophobicContact CD1-CG2 3.61Å; I704-T754 HydrophobicContact CG1-CG2 4.49Å; F706-T754 HydrophobicContact CB-CG2 4.42Å; F706-T754 HydrophobicContact CD2-CG2 3.52Å; F706-T754 HydrophobicContact CE2-CG2 4.05Å; F706-T754 HydrophobicContact CG-CG2 4.14Å; L745-T754 WeakPolarHBondContact CB-O 3.26Å; L745-T754 PolarHBondContact N-O 3.19Å; V752-T754 VanDerWaalsContact C-N 3.27Å; V752-T754 HydrophobicContact CG1-CG2 3.88Å; V752-T754 PolarHBondContact O-N 2.71Å; V752-T754 VanDerWaalsContact O-N 3.07Å; T754-R757 PolarHBondContact OG1-NE 3.49Å | ||
| 755 | T | 89.9 | Confident | 80 | Confident | 28 Ų | 28 | 74.3 Ų | 74.3 | 17% | 0.172 | 35% | 0.351 | C | S | . | . | trans | -95.1 | 170.5 | 167 | 56.7 | 0 | 0 | 0 | 0 | 109.8 | Y740 Q741 R757 | Y740-T755 WeakPolarHBondContact O-CA 2.92Å; Y740-T755 WeakPolarHBondContact O-CB 3.46Å; Q741-T755 WeakPolarHBondContact O-CB 3.38Å; T755-R757 PolarHBondContact O-N 3.34Å; T755-R757 WeakPolarHBondContact OG1-CG 3.33Å | ||
| 756 | L | 91 | Very high | 77.7 | Confident | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | trans | -73.2 | 78.3 | 169.1 | -58.3 | -175.2 | 0 | 0 | 0 | 109.5 | F690 I702 I704 I737 Y740 Q741 L745 | F690-L756 HydrophobicContact CB-CD2 4.1Å; F690-L756 HydrophobicContact CD1-CB 3.66Å; F690-L756 HydrophobicContact CD2-CB 3.98Å; F690-L756 HydrophobicContact CD2-CD1 4.04Å; F690-L756 HydrophobicContact CD2-CD2 3.98Å; F690-L756 HydrophobicContact CD2-CG 4.21Å; F690-L756 VanDerWaalsContact CE1-C 3.48Å; F690-L756 HydrophobicContact CE1-CB 3.6Å; F690-L756 VanDerWaalsContact CE1-O 3.26Å; F690-L756 WeakPolarHBondContact CE1-O 3.21Å; F690-L756 HydrophobicContact CE2-CB 3.91Å; F690-L756 HydrophobicContact CE2-CD1 3.89Å; F690-L756 HydrophobicContact CE2-CG 4.34Å; F690-L756 HydrophobicContact CG-CB 3.86Å; F690-L756 HydrophobicContact CG-CD2 3.95Å; F690-L756 HydrophobicContact CG-CG 4.35Å; F690-L756 HydrophobicContact CZ-CB 3.72Å; F690-L756 HydrophobicContact CZ-CD1 4.4Å; I702-L756 HydrophobicContact CD1-CD1 4.15Å; I702-L756 HydrophobicContact CG2-CD2 3.78Å; I704-L756 HydrophobicContact CD1-CD2 3.91Å; I737-L756 HydrophobicContact CD1-CD1 3.86Å; I737-L756 HydrophobicContact CG2-CD1 4.1Å; Y740-L756 PolarHBondContact O-N 3Å; Q741-L756 HydrophobicContact CG-CB 3.88Å; Q741-L756 WeakPolarHBondContact CG-O 3.42Å; L745-L756 HydrophobicContact CD1-CD2 3.98Å | ||
| 757 | R | 86.3 | Confident | 75.2 | Confident | 151 Ų | 151 | 81.5 Ų | 81.5 | 57% | 0.57 | 40% | 0.403 | S | S | * | . | trans | -75.5 | -57.1 | -164.9 | -67.1 | 179.7 | -177.5 | 177.4 | 3.5 | 113.3 | G688 T754 T755 | G688-R757 PolarHBondContact O-N 3.15Å; G688-R757 VanDerWaalsContact O-N 3.16Å; T754-R757 PolarHBondContact OG1-NE 3.49Å; T755-R757 PolarHBondContact O-N 3.34Å; T755-R757 WeakPolarHBondContact OG1-CG 3.33Å | ||
| 758 | I | 88.3 | Confident | 73.2 | Confident | 51 Ų | 51 | 80.4 Ų | 80.4 | 26% | 0.262 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 110.9 | -167.9 | -54.3 | 169.3 | 0 | 0 | 0 | 109.3 | G688 T689 F690 | G688-I758 PolarHBondContact O-N 2.84Å; G688-I758 VanDerWaalsContact O-N 3.14Å; T689-I758 CarbonylContact C-O 3.55Å; T689-I758 VanDerWaalsContact CA-O 3.24Å; T689-I758 WeakPolarHBondContact CA-O 3.25Å; T689-I758 HydrophobicContact CG2-CB 4.47Å; T689-I758 HydrophobicContact CG2-CG2 4.48Å; T689-I758 WeakPolarHBondContact CG2-O 3.4Å; F690-I758 WeakPolarHBondContact CD1-O 3.46Å; F690-I758 PolarHBondContact N-O 3.25Å |
| 759 | P | 89.8 | Confident | 71 | Confident | 4 Ų | 4 | 82.7 Ų | 82.7 | 3% | 0.026 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 133.8 | 170 | -25.3 | 35.1 | 0 | 0 | 0 | 111.9 | P667 W668 F690 K761 Q762 | P667-P759 HydrophobicContact CB-CB 3.9Å; P667-P759 HydrophobicContact CG-CB 3.97Å; P667-P759 HydrophobicContact CG-CG 4.23Å; W668-P759 HydrophobicContact CB-CB 3.92Å; W668-P759 HydrophobicContact CB-CG 4.47Å; F690-P759 HydrophobicContact CE1-CB 4.5Å; F690-P759 HydrophobicContact CE1-CG 4.05Å; F690-P759 HydrophobicContact CZ-CG 4.34Å; P759-K761 VanDerWaalsContact C-N 3.29Å; P759-K761 PolarHBondContact O-N 2.99Å; P759-K761 VanDerWaalsContact O-N 3.16Å; P759-Q762 HydrophobicContact CB-CG 4.21Å; P759-Q762 HydrophobicContact CG-CG 4.45Å; P759-Q762 WeakPolarHBondContact O-CB 3.5Å; P759-Q762 PolarHBondContact O-N 3.42Å |
| 760 | F | 84.5 | Confident | 68.6 | Low | 41 Ų | 41 | 87.4 Ų | 87.4 | 18% | 0.18 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24 | -172 | 84.5 | -75.9 | 0 | 0 | 0 | 116.1 | P667 A670 L682 T689 F690 L691 Q762 | P667-F760 WeakPolarHBondContact O-CD1 3.29Å; A670-F760 HydrophobicContact CB-CE1 3.76Å; A670-F760 HydrophobicContact CB-CE2 4.45Å; A670-F760 HydrophobicContact CB-CZ 3.63Å; L682-F760 HydrophobicContact CD2-CB 4.32Å; T689-F760 HydrophobicContact CG2-CB 4.31Å; F690-F760 PolarHBondContact O-N 3.38Å; L691-F760 HydrophobicContact CB-CB 4.09Å; L691-F760 HydrophobicContact CB-CD1 3.32Å; L691-F760 HydrophobicContact CB-CE1 3.9Å; L691-F760 HydrophobicContact CB-CG 3.78Å; L691-F760 HydrophobicContact CD2-CB 4.47Å; L691-F760 HydrophobicContact CD2-CD1 4.46Å; L691-F760 HydrophobicContact CD2-CD2 4.47Å; L691-F760 HydrophobicContact CD2-CG 4.2Å; F760-Q762 VanDerWaalsContact C-N 3.3Å |
| 761 | K | 82.4 | Confident | 66.4 | Low | 88 Ų | 88 | 85.4 Ų | 85.4 | 38% | 0.383 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -9.1 | 174.5 | -64.5 | 168.1 | 169.8 | 171.1 | 0 | 112.8 | S664 P667 F669 P759 | S664-K761 PolarHBondContact O-NZ 3.02Å; P667-K761 HydrophobicContact CB-CB 4.13Å; P667-K761 WeakPolarHBondContact O-CB 3.47Å; P667-K761 WeakPolarHBondContact O-CG 3.46Å; P667-K761 PolarHBondContact O-N 3.16Å; F669-K761 WeakPolarHBondContact O-CE 3.09Å; F669-K761 PolarHBondContact O-NZ 3.4Å; P759-K761 VanDerWaalsContact C-N 3.29Å; P759-K761 PolarHBondContact O-N 2.99Å; P759-K761 VanDerWaalsContact O-N 3.16Å |
| 762 | Q | 77.3 | Confident | 64.1 | Low | 99 Ų | 99 | 85.4 Ų | 85.4 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -80.8 | 133.5 | 174.6 | -72.2 | -176.2 | -6.9 | 0 | 0 | 110.7 | P667 P759 F760 | P667-Q762 HydrophobicContact CB-CG 4.24Å; P759-Q762 HydrophobicContact CB-CG 4.21Å; P759-Q762 HydrophobicContact CG-CG 4.45Å; P759-Q762 WeakPolarHBondContact O-CB 3.5Å; P759-Q762 PolarHBondContact O-N 3.42Å; F760-Q762 VanDerWaalsContact C-N 3.3Å |
| 763 | P | 64.8 | Low | 62.1 | Low | 104 Ų | 104 | 90 Ų | 90 | 68% | 0.675 | 50% | 0.496 | S | S | * | . | trans | -66.8 | 134.7 | 176.6 | 24.8 | -30.5 | 0 | 0 | 0 | 111.1 | Q765 | P763-Q765 PolarHBondContact O-N 3.38Š| ||
| 764 | E | 60.9 | Low | 59.1 | Low | 71 Ų | 71 | 95 Ų | 95 | 33% | 0.332 | 52% | 0.516 | S | S | . | . | trans | -65.8 | 115.4 | 178.7 | -66.8 | -179.9 | 130 | 0 | 0 | 110.1 | R685 S686 S766 | R685-E764 WeakPolarHBondContact CA-OE1 3.3Å; R685-E764 IonicContact CZ-OE2 3.88Å; R685-E764 VanDerWaalsContact CZ-OE2 3.26Å; R685-E764 IonicContact NE-OE1 3.43Å; R685-E764 PolarHBondContact NE-OE1 2.98Å; R685-E764 IonicContact NE-OE2 2.87Å; R685-E764 PolarHBondContact NE-OE2 3.43Å; R685-E764 IonicContact NH2-OE2 2.91Å; R685-E764 PolarHBondContact NH2-OE2 3.36Å; S686-E764 PolarHBondContact N-OE1 2.99Å; S686-E764 PolarHBondContact OG-OE1 3.05Å; E764-S766 PolarHBondContact O-N 3.24Å | ||
| 765 | Q | 49.5 | Very low | 56.1 | Low | 174 Ų | 174 | 100.4 Ų | 100.4 | 81% | 0.813 | 55% | 0.549 | S | S | * | . | trans | -70.6 | 113.5 | 173.7 | -70.5 | 179.5 | 2.3 | 0 | 0 | 109.7 | P763 N767 | P763-Q765 PolarHBondContact O-N 3.38Å; Q765-N767 PolarHBondContact O-N 3.39Å | ||
| 766 | S | 38.3 | Very low | 53.1 | Low | 110 Ų | 110 | 105.2 Ų | 105.2 | 77% | 0.769 | 58% | 0.579 | S | S | * | * | trans | -70.3 | 86.6 | 171 | 58.3 | 0 | 0 | 0 | 0 | 110.6 | E764 S768 | E764-S766 PolarHBondContact O-N 3.24Å; S766-S768 PolarHBondContact O-N 2.69Å | ||
| 767 | N | 31.5 | Very low | 50.2 | Low | 147 Ų | 147 | 111.1 Ų | 111.1 | 79% | 0.786 | 62% | 0.621 | S | S | * | * | trans | -87.8 | 79.9 | 167 | -85.6 | -8.3 | 0 | 0 | 0 | 110.2 | Q765 S769 | Q765-N767 PolarHBondContact O-N 3.39Å; N767-S769 PolarHBondContact O-N 3.27Å; N767-S769 VanDerWaalsContact O-N 3.15Å | ||
| 768 | S | 33.5 | Very low | 47.4 | Very low | 111 Ų | 111 | 108 Ų | 108 | 78% | 0.776 | 64% | 0.635 | S | S | * | * | trans | -72.6 | 96.3 | 154.7 | -64.6 | 0 | 0 | 0 | 0 | 108.2 | S766 | S766-S768 PolarHBondContact O-N 2.69Š| ||
| 769 | S | 32.6 | Very low | 44.7 | Very low | 106 Ų | 106 | 109.1 Ų | 109.1 | 74% | 0.741 | 66% | 0.66 | S | S | * | * | trans | 17 | 123.6 | 151 | 52.8 | 0 | 0 | 0 | 0 | 119.8 | N767 N771 | N767-S769 PolarHBondContact O-N 3.27Å; N767-S769 VanDerWaalsContact O-N 3.15Å; S769-N771 PolarHBondContact O-N 3.43Å | ||
| 770 | N | 30.8 | Very low | 42.2 | Very low | 157 Ų | 157 | 114.3 Ų | 114.3 | 84% | 0.84 | 70% | 0.696 | S | S | * | * | trans | -46.4 | 119.3 | 152.9 | -78.1 | -23 | 0 | 0 | 0 | 112.1 | ||||
| 771 | N | 29.2 | Very low | 40.5 | Very low | 140 Ų | 140 | 118.5 Ų | 118.5 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | 174.8 | 107.1 | 116.3 | -96.5 | -11.6 | 0 | 0 | 0 | 113.6 | S769 | S769-N771 PolarHBondContact O-N 3.43Š| |||
| 772 | T | 27.1 | Very low | 39.2 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | 63.6 | 162.9 | 143.5 | 56.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 773 | P | 40.6 | Very low | 38.3 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | -129.8 | 169.2 | -55.9 | 36.5 | -20.1 | 0 | 0 | 0 | 112.7 | |||||
| 774 | H | 25.6 | Very low | 38.4 | Very low | 173 Ų | 173 | 124 Ų | 124 | 80% | 0.801 | 73% | 0.733 | S | S | * | * | trans | 71.2 | 130.3 | 163.2 | -87 | -75.3 | 0 | 0 | 0 | 121.4 | ||||
| 775 | T | 25.2 | Very low | 39.3 | Very low | 117 Ų | 117 | 122 Ų | 122 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | trans | 79.3 | 124.9 | 146 | 53.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 776 | T | 26.1 | Very low | 40.9 | Very low | 129 Ų | 129 | 118 Ų | 118 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | trans | 78.3 | 101.5 | 146.2 | 38.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 777 | S | 29.1 | Very low | 43.1 | Very low | 126 Ų | 126 | 112.7 Ų | 112.7 | 88% | 0.881 | 68% | 0.679 | S | S | * | * | 39.5 | 123.6 | 128.1 | -56.9 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 778 | G | 28.4 | Very low | 45.8 | Very low | 85 Ų | 85 | 111.1 Ų | 111.1 | 88% | 0.876 | 66% | 0.662 | S | S | * | * | trans | 124.9 | 119.5 | 144.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 779 | G | 32.3 | Very low | 48.5 | Very low | 75 Ų | 75 | 106 Ų | 106 | 77% | 0.773 | 63% | 0.626 | S | S | * | * | cis | -157.4 | 135.2 | 7.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 780 | S | 37.1 | Very low | 50.7 | Low | 112 Ų | 112 | 106.3 Ų | 106.3 | 78% | 0.783 | 61% | 0.611 | S | S | * | * | trans | -72.2 | 121.5 | 173.2 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | R782 | S780-R782 PolarHBondContact O-N 2.93Å; S780-R782 VanDerWaalsContact O-N 3.08Å | ||
| 781 | I | 48.2 | Very low | 53.1 | Low | 129 Ų | 129 | 105.1 Ų | 105.1 | 66% | 0.662 | 60% | 0.595 | S | S | * | * | trans | -69.4 | 104.7 | 167 | -68.3 | 163.5 | 0 | 0 | 0 | 106.5 | S783 L812 | I781-S783 PolarHBondContact O-N 3.36Å; I781-L812 HydrophobicContact CG2-CD2 4.15Å | ||
| 782 | R | 54.4 | Low | 55.5 | Low | 212 Ų | 212 | 103.4 Ų | 103.4 | 80% | 0.8 | 59% | 0.586 | S | S | * | * | trans | -58.7 | 118.2 | 176.3 | -72.8 | -178.7 | 175.8 | 177.7 | -2 | 109.2 | S780 F784 | S780-R782 PolarHBondContact O-N 2.93Å; S780-R782 VanDerWaalsContact O-N 3.08Å; R782-F784 WeakPolarHBondContact O-CD2 3.46Å | ||
| 783 | S | 59.5 | Low | 58.1 | Low | 63 Ų | 63 | 98.1 Ų | 98.1 | 44% | 0.441 | 55% | 0.552 | S | S | . | * | trans | -72.6 | 136.3 | 166.9 | 43.5 | 0 | 0 | 0 | 0 | 110.4 | I781 I811 | I781-S783 PolarHBondContact O-N 3.36Å; S783-I811 CarbonylContact C-O 3.46Å; S783-I811 WeakPolarHBondContact CA-O 3.48Å | ||
| 784 | F | 67.3 | Low | 60.1 | Low | 131 Ų | 131 | 97.6 Ų | 97.6 | 58% | 0.575 | 55% | 0.551 | S | S | * | * | trans | -90.5 | 3.2 | -177.9 | -74.5 | -97.2 | 0 | 0 | 0 | 113.5 | R782 I811 L812 | R782-F784 WeakPolarHBondContact O-CD2 3.46Å; F784-I811 HydrophobicContact CB-CB 4.45Å; F784-I811 HydrophobicContact CB-CG2 4.11Å; F784-I811 PolarHBondContact N-O 3.39Å; F784-L812 VanDerWaalsContact CD2-O 3.22Å; F784-L812 WeakPolarHBondContact CD2-O 3.35Å; F784-L812 VanDerWaalsContact CE2-O 3.31Å; F784-L812 WeakPolarHBondContact CE2-O 3.42Å | ||
| 785 | G | 78.9 | Confident | 62.7 | Low | 31 Ų | 31 | 90.8 Ų | 90.8 | 32% | 0.32 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.6 | 176.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I811 | G785-I811 PolarHBondContact O-N 3.34Å |
| 786 | L | 82.3 | Confident | 64.5 | Low | 88 Ų | 88 | 95.7 Ų | 95.7 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 145 | 167.3 | -66 | 166.6 | 0 | 0 | 0 | 108.6 | T808 I809 K810 D839 | L786-T808 HydrophobicContact CB-CG2 4.27Å; L786-T808 HydrophobicContact CD1-CG2 4.42Å; L786-T808 HydrophobicContact CD2-CG2 3.96Å; L786-T808 HydrophobicContact CG-CG2 4.44Å; L786-I809 CarbonylContact C-O 3.41Å; L786-I809 WeakPolarHBondContact CA-O 3.45Å; L786-K810 HydrophobicContact CD2-CB 4.15Å; L786-D839 PolarHBondContact O-N 3.01Å; L786-D839 VanDerWaalsContact O-N 3.13Å |
| 787 | A | 85.2 | Confident | 66.6 | Low | 0 Ų | 0 | 93.5 Ų | 93.5 | 0% | 0 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 153.2 | 168 | 0 | 0 | 0 | 0 | 0 | 109.5 | T808 I809 I811 V836 E837 E838 | A787-T808 CarbonylContact O-C 3.58Å; A787-T808 WeakPolarHBondContact O-CA 3.46Å; A787-I809 PolarHBondContact N-O 3.45Å; A787-I809 WeakPolarHBondContact O-CD1 3.14Å; A787-I809 PolarHBondContact O-N 3.09Å; A787-I811 HydrophobicContact CB-CD1 3.74Å; A787-I811 HydrophobicContact CB-CG1 4.16Å; A787-V836 HydrophobicContact CB-CB 3.9Å; A787-V836 HydrophobicContact CB-CG2 3.72Å; A787-E837 CarbonylContact C-O 3.59Å; A787-E837 VanDerWaalsContact CA-O 3.24Å; A787-E837 WeakPolarHBondContact CA-O 3.4Å; A787-E837 WeakPolarHBondContact CB-O 3.42Å; A787-E838 HydrophobicContact CB-CG 4.4Å |
| 788 | R | 88.9 | Confident | 68.4 | Low | 114 Ų | 114 | 98.5 Ų | 98.5 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.6 | 173 | -171.6 | 173 | 61.2 | 179.9 | -3.7 | 109.6 | R790 D807 V836 E837 | R788-R790 PolarHBondContact O-N 3.35Å; R788-D807 CarbonylContact C-O 3.41Å; R788-D807 VanDerWaalsContact CA-O 3.29Å; R788-D807 WeakPolarHBondContact CA-O 3.22Å; R788-V836 CarbonylContact O-C 3.5Å; R788-V836 VanDerWaalsContact O-CA 3.26Å; R788-V836 WeakPolarHBondContact O-CA 3.33Å; R788-E837 PolarHBondContact N-O 3.32Å; R788-E837 PolarHBondContact O-N 3.31Å |
| 789 | A | 89.1 | Confident | 70.6 | Confident | 2 Ų | 2 | 98.5 Ų | 98.5 | 2% | 0.017 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 127.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L803 R804 G806 D807 I809 Y835 V836 | A789-L803 HydrophobicContact CB-CB 4.04Å; A789-L803 HydrophobicContact CB-CD1 4.32Å; A789-R804 WeakPolarHBondContact CB-O 3.22Å; A789-G806 PolarHBondContact O-N 3.11Å; A789-D807 HydrophobicContact CB-CB 4.18Å; A789-D807 PolarHBondContact N-O 2.72Å; A789-I809 HydrophobicContact CB-CD1 3.91Å; A789-Y835 CarbonylContact C-O 3.58Å; A789-V836 HydrophobicContact CB-CG1 4.47Å |
| 790 | R | 80.4 | Confident | 73.2 | Confident | 113 Ų | 113 | 96.2 Ų | 96.2 | 43% | 0.426 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -93.8 | -18.3 | 173.6 | -77.4 | -167.9 | 168.8 | -161.7 | 3.8 | 112.9 | R788 E805 Y835 E837 | R788-R790 PolarHBondContact O-N 3.35Å; R790-E805 VanDerWaalsContact O-CG 3.28Å; R790-E805 WeakPolarHBondContact O-CG 3.48Å; R790-Y835 PolarHBondContact N-O 3.29Å; R790-E837 HydrophobicContact CG-CB 3.98Å; R790-E837 VanDerWaalsContact CZ-CD 3.5Å; R790-E837 IonicContact CZ-OE1 2.64Å; R790-E837 IonicContact CZ-OE2 3.76Å; R790-E837 VanDerWaalsContact NE-CD 3.34Å; R790-E837 IonicContact NE-OE1 2.81Å; R790-E837 IonicContact NE-OE2 3.48Å; R790-E837 PolarHBondContact NE-OE2 3.3Å; R790-E837 IonicContact NH2-OE1 3.31Å; R790-E837 PolarHBondContact NH2-OE1 3.15Å; R790-E837 IonicContact NH2-OE2 2.79Å; R790-E837 PolarHBondContact NH2-OE2 3.16Å |
| 791 | Y | 79.4 | Confident | 75.4 | Confident | 132 Ų | 132 | 91.1 Ų | 91.1 | 52% | 0.518 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -144.3 | 150.8 | 179.7 | -53 | -70.9 | 0 | 0 | 0 | 109.4 | F793 Y835 | Y791-F793 PolarHBondContact O-N 3.08Å; Y791-Y835 PolarHBondContact N-O 3.45Å |
| 792 | D | 80.6 | Confident | 77.2 | Confident | 104 Ų | 104 | 87.8 Ų | 87.8 | 56% | 0.556 | 42% | 0.418 | S | S | * | . | trans | -62.1 | 132.9 | 170.6 | -71.7 | -0.4 | 0 | 0 | 0 | 110.7 | L803 R804 E805 Y835 | D792-L803 CarbonylContact C-O 3.54Å; D792-L803 WeakPolarHBondContact CA-O 3.38Å; D792-R804 WeakPolarHBondContact OD1-CA 3.09Å; D792-E805 PolarHBondContact OD1-N 3.4Å; D792-Y835 WeakPolarHBondContact O-CE1 3.23Å | ||
| 793 | F | 81.7 | Confident | 78.6 | Confident | 19 Ų | 19 | 77.9 Ų | 77.9 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -127.3 | 127.1 | 171.9 | 176.8 | -103.6 | 0 | 0 | 0 | 109.7 | Y791 E800 L801 S802 L803 W819 F831 P832 Y835 | Y791-F793 PolarHBondContact O-N 3.08Å; F793-E800 HydrophobicContact CE1-CB 4.4Å; F793-E800 WeakPolarHBondContact CZ-OE2 3.36Å; F793-L801 VanDerWaalsContact CD1-O 3.31Å; F793-L801 WeakPolarHBondContact CD1-O 3.36Å; F793-S802 CarbonylContact O-C 3.56Å; F793-S802 WeakPolarHBondContact O-CA 3.34Å; F793-S802 WeakPolarHBondContact O-CB 3.43Å; F793-L803 HydrophobicContact CB-CB 4.16Å; F793-L803 HydrophobicContact CB-CG 4.41Å; F793-L803 PolarHBondContact N-O 3.23Å; F793-L803 PolarHBondContact O-N 3.45Å; F793-L803 VanDerWaalsContact O-O 3.1Å; F793-W819 HydrophobicContact CE1-CH2 4.21Å; F793-W819 AromaticContact CE1-CZ3 3.96Å; F793-W819 HydrophobicContact CE1-CZ3 3.96Å; F793-W819 AromaticContact CE2-CH2 3.97Å; F793-W819 HydrophobicContact CE2-CH2 3.97Å; F793-W819 HydrophobicContact CE2-CZ3 4.46Å; F793-W819 AromaticContact CZ-CH2 3.42Å; F793-W819 HydrophobicContact CZ-CH2 3.42Å; F793-W819 VanDerWaalsContact CZ-CH2 3.42Å; F793-W819 AromaticContact CZ-CZ3 3.65Å; F793-W819 HydrophobicContact CZ-CZ3 3.65Å; F793-F831 HydrophobicContact CD1-CB 4.33Å; F793-P832 HydrophobicContact CD1-CG 4.37Å; F793-P832 HydrophobicContact CD2-CG 3.56Å; F793-P832 HydrophobicContact CE2-CG 3.76Å; F793-P832 HydrophobicContact CG-CG 3.93Å; F793-P832 HydrophobicContact CZ-CG 4.28Å; F793-Y835 HydrophobicContact CB-CD1 3.79Å; F793-Y835 HydrophobicContact CB-CE1 4.28Å; F793-Y835 HydrophobicContact CB-CG 4.4Å; F793-Y835 HydrophobicContact CD2-CD1 4.4Å; F793-Y835 HydrophobicContact CD2-CE1 4.31Å |
| 794 | S | 83.4 | Confident | 79.8 | Confident | 95 Ų | 95 | 83.5 Ų | 83.5 | 66% | 0.664 | 39% | 0.392 | S | S | * | . | trans | -103.5 | 115.8 | 177.1 | -69.2 | 0 | 0 | 0 | 0 | 110.6 | R796 | S794-R796 PolarHBondContact O-N 3.25Š| ||
| 795 | A | 80 | Confident | 80.6 | Confident | 30 Ų | 30 | 83.7 Ų | 83.7 | 25% | 0.248 | 40% | 0.395 | C | S | . | . | trans | -57.7 | 129.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E800 S802 | A795-E800 HydrophobicContact CB-CB 3.53Å; A795-E800 WeakPolarHBondContact CB-O 3.44Å; A795-S802 WeakPolarHBondContact CB-OG 3.26Å; A795-S802 PolarHBondContact N-OG 2.88Å | ||
| 796 | R | 63.1 | Low | 80.6 | Confident | 220 Ų | 220 | 84.2 Ų | 84.2 | 83% | 0.83 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -85.5 | -25.8 | 179.8 | -63.1 | 178.5 | 178.4 | -175.6 | -0.2 | 112.4 | S794 E800 | S794-R796 PolarHBondContact O-N 3.25Å; R796-E800 PolarHBondContact N-OE2 3.19Å |
| 797 | D | 69 | Low | 80.7 | Confident | 82 Ų | 82 | 80.9 Ų | 80.9 | 44% | 0.439 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -143.3 | -177.7 | 177.2 | 71.3 | 45.3 | 0 | 0 | 0 | 112.7 | T799 E800 | D797-T799 PolarHBondContact O-N 3.43Å; D797-T799 WeakPolarHBondContact OD1-CA 3.47Å; D797-T799 WeakPolarHBondContact OD1-CB 3.49Å; D797-T799 PolarHBondContact OD1-N 2.95Å; D797-T799 PolarHBondContact OD1-OG1 2.82Å; D797-E800 PolarHBondContact O-N 2.98Å; D797-E800 PolarHBondContact OD1-N 2.66Å |
| 798 | R | 67.8 | Low | 80.7 | Confident | 231 Ų | 231 | 84.7 Ų | 84.7 | 87% | 0.872 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -13.9 | -173.9 | -63.2 | -174.8 | 179 | -166.3 | 0.1 | 114.1 | ||
| 799 | T | 74.8 | Confident | 80.6 | Confident | 86 Ų | 86 | 79.2 Ų | 79.2 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -20.5 | 178.6 | 73.2 | 0 | 0 | 0 | 0 | 112.1 | D797 G829 L830 | D797-T799 PolarHBondContact O-N 3.43Å; D797-T799 WeakPolarHBondContact OD1-CA 3.47Å; D797-T799 WeakPolarHBondContact OD1-CB 3.49Å; D797-T799 PolarHBondContact OD1-N 2.95Å; D797-T799 PolarHBondContact OD1-OG1 2.82Å; T799-G829 CarbonylContact O-C 3.58Å; T799-G829 VanDerWaalsContact O-CA 3.3Å; T799-G829 WeakPolarHBondContact O-CA 3.47Å; T799-L830 PolarHBondContact O-N 3.17Å |
| 800 | E | 85.4 | Confident | 80.4 | Confident | 26 Ų | 26 | 83.3 Ų | 83.3 | 12% | 0.121 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -89.3 | 153.9 | 178.2 | -66.5 | -179.8 | -177.6 | 0 | 0 | 112.4 | F793 A795 R796 D797 W819 L830 | F793-E800 HydrophobicContact CE1-CB 4.4Å; F793-E800 WeakPolarHBondContact CZ-OE2 3.36Å; A795-E800 HydrophobicContact CB-CB 3.53Å; A795-E800 WeakPolarHBondContact CB-O 3.44Å; R796-E800 PolarHBondContact N-OE2 3.19Å; D797-E800 PolarHBondContact O-N 2.98Å; D797-E800 PolarHBondContact OD1-N 2.66Å; E800-W819 HydrophobicContact CG-CH2 4.25Å; E800-W819 HydrophobicContact CG-CZ3 3.81Å; E800-W819 WeakPolarHBondContact OE1-CH2 3.34Å; E800-L830 CarbonylContact C-O 3.58Å; E800-L830 WeakPolarHBondContact CA-O 3.44Å; E800-L830 WeakPolarHBondContact CB-O 3.33Å |
| 801 | L | 84.7 | Confident | 80.7 | Confident | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | trans | -113.7 | 116.9 | 179.6 | -174.8 | 64.4 | 0 | 0 | 0 | 109.4 | F793 L803 G822 V824 R827 L830 F831 | F793-L801 VanDerWaalsContact CD1-O 3.31Å; F793-L801 WeakPolarHBondContact CD1-O 3.36Å; L801-L803 HydrophobicContact CD2-CD2 4.19Å; L801-L803 HydrophobicContact CG-CD2 4.18Å; L801-G822 WeakPolarHBondContact CD2-O 3.36Å; L801-V824 HydrophobicContact CD2-CB 3.99Å; L801-V824 HydrophobicContact CD2-CG2 3.81Å; L801-R827 HydrophobicContact CD1-CB 3.92Å; L801-R827 HydrophobicContact CD1-CG 3.98Å; L801-R827 WeakPolarHBondContact CD1-O 3.3Å; L801-L830 PolarHBondContact N-O 3.05Å; L801-F831 HydrophobicContact CD2-CD1 4.32Å | ||
| 802 | S | 84.8 | Confident | 80.9 | Confident | 60 Ų | 60 | 72.9 Ų | 72.9 | 42% | 0.42 | 37% | 0.365 | S | S | . | . | trans | -68.9 | 137.7 | 172.8 | -57.4 | 0 | 0 | 0 | 0 | 110.1 | F793 A795 | F793-S802 CarbonylContact O-C 3.56Å; F793-S802 WeakPolarHBondContact O-CA 3.34Å; F793-S802 WeakPolarHBondContact O-CB 3.43Å; A795-S802 WeakPolarHBondContact CB-OG 3.26Å; A795-S802 PolarHBondContact N-OG 2.88Å | ||
| 803 | L | 84 | Confident | 81 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -120.4 | 148.4 | 177 | -53.5 | -178.1 | 0 | 0 | 0 | 109.4 | A789 D792 F793 L801 I809 V824 F831 V836 | A789-L803 HydrophobicContact CB-CB 4.04Å; A789-L803 HydrophobicContact CB-CD1 4.32Å; D792-L803 CarbonylContact C-O 3.54Å; D792-L803 WeakPolarHBondContact CA-O 3.38Å; F793-L803 HydrophobicContact CB-CB 4.16Å; F793-L803 HydrophobicContact CB-CG 4.41Å; F793-L803 PolarHBondContact N-O 3.23Å; F793-L803 PolarHBondContact O-N 3.45Å; F793-L803 VanDerWaalsContact O-O 3.1Å; L801-L803 HydrophobicContact CD2-CD2 4.19Å; L801-L803 HydrophobicContact CG-CD2 4.18Å; L803-I809 HydrophobicContact CD1-CD1 4.18Å; L803-I809 HydrophobicContact CD1-CG1 4.5Å; L803-I809 HydrophobicContact CD2-CD1 4.17Å; L803-I809 HydrophobicContact CD2-CG1 3.73Å; L803-V824 HydrophobicContact CD2-CG2 3.82Å; L803-F831 HydrophobicContact CD1-CB 3.7Å; L803-F831 HydrophobicContact CD1-CD2 3.63Å; L803-F831 HydrophobicContact CD1-CE2 4.42Å; L803-F831 HydrophobicContact CD1-CG 3.7Å; L803-F831 HydrophobicContact CD2-CB 4.46Å; L803-F831 HydrophobicContact CD2-CG 4.45Å; L803-F831 HydrophobicContact CG-CB 4.06Å; L803-F831 HydrophobicContact CG-CG 4.36Å; L803-V836 HydrophobicContact CD1-CG1 3.57Å |
| 804 | R | 84.1 | Confident | 81.1 | Confident | 181 Ų | 181 | 77 Ų | 77 | 68% | 0.683 | 38% | 0.378 | S | S | * | . | trans | -112.9 | 145.3 | 162.6 | -70.2 | -176.2 | 174.5 | -173.6 | -3 | 110.2 | A789 D792 G806 D807 | A789-R804 WeakPolarHBondContact CB-O 3.22Å; D792-R804 WeakPolarHBondContact OD1-CA 3.09Å; R804-G806 PolarHBondContact O-N 2.68Å; R804-D807 PolarHBondContact N-OD2 3.26Å; R804-D807 VanDerWaalsContact O-CB 3.23Å; R804-D807 WeakPolarHBondContact O-CB 3.49Å; R804-D807 PolarHBondContact O-N 3.34Å | ||
| 805 | E | 84.9 | Confident | 80.7 | Confident | 134 Ų | 134 | 73.7 Ų | 73.7 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 126.8 | 173.4 | -177.7 | 174.6 | 177.7 | 0 | 0 | 109.9 | R790 D792 | R790-E805 VanDerWaalsContact O-CG 3.28Å; R790-E805 WeakPolarHBondContact O-CG 3.48Å; D792-E805 PolarHBondContact OD1-N 3.4Å |
| 806 | G | 78.8 | Confident | 80 | Confident | 43 Ų | 43 | 81.9 Ų | 81.9 | 44% | 0.443 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | -17.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | A789 R804 T808 | A789-G806 PolarHBondContact O-N 3.11Å; R804-G806 PolarHBondContact O-N 2.68Å; G806-T808 PolarHBondContact O-N 3.27Å |
| 807 | D | 84.2 | Confident | 80.4 | Confident | 17 Ų | 17 | 77.1 Ų | 77.1 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | trans | -59.8 | 134.5 | -179 | -76.1 | -8.9 | 0 | 0 | 0 | 111.5 | R788 A789 R804 I809 V824 Y825 | R788-D807 CarbonylContact C-O 3.41Å; R788-D807 VanDerWaalsContact CA-O 3.29Å; R788-D807 WeakPolarHBondContact CA-O 3.22Å; A789-D807 HydrophobicContact CB-CB 4.18Å; A789-D807 PolarHBondContact N-O 2.72Å; R804-D807 PolarHBondContact N-OD2 3.26Å; R804-D807 VanDerWaalsContact O-CB 3.23Å; R804-D807 WeakPolarHBondContact O-CB 3.49Å; R804-D807 PolarHBondContact O-N 3.34Å; D807-I809 VanDerWaalsContact O-CD1 3.23Å; D807-I809 WeakPolarHBondContact O-CD1 3.43Å; D807-V824 HydrophobicContact CB-CG1 4.29Å; D807-Y825 PolarHBondContact OD1-OH 3.19Å; D807-Y825 VanDerWaalsContact OD1-OH 3.09Å | ||
| 808 | T | 84.7 | Confident | 80.9 | Confident | 80 Ų | 80 | 74.5 Ų | 74.5 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.7 | 171.7 | -48.1 | 0 | 0 | 0 | 0 | 110.3 | L786 A787 G806 | L786-T808 HydrophobicContact CB-CG2 4.27Å; L786-T808 HydrophobicContact CD1-CG2 4.42Å; L786-T808 HydrophobicContact CD2-CG2 3.96Å; L786-T808 HydrophobicContact CG-CG2 4.44Å; A787-T808 CarbonylContact O-C 3.58Å; A787-T808 WeakPolarHBondContact O-CA 3.46Å; G806-T808 PolarHBondContact O-N 3.27Å |
| 809 | I | 86.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.6 | -175.2 | -51.9 | 106.6 | 0 | 0 | 0 | 110.4 | L786 A787 A789 L803 D807 I811 V824 F831 V836 | L786-I809 CarbonylContact C-O 3.41Å; L786-I809 WeakPolarHBondContact CA-O 3.45Å; A787-I809 PolarHBondContact N-O 3.45Å; A787-I809 WeakPolarHBondContact O-CD1 3.14Å; A787-I809 PolarHBondContact O-N 3.09Å; A789-I809 HydrophobicContact CB-CD1 3.91Å; L803-I809 HydrophobicContact CD1-CD1 4.18Å; L803-I809 HydrophobicContact CD1-CG1 4.5Å; L803-I809 HydrophobicContact CD2-CD1 4.17Å; L803-I809 HydrophobicContact CD2-CG1 3.73Å; D807-I809 VanDerWaalsContact O-CD1 3.23Å; D807-I809 WeakPolarHBondContact O-CD1 3.43Å; I809-I811 PolarHBondContact O-N 3.01Å; I809-V824 HydrophobicContact CB-CG2 3.74Å; I809-V824 HydrophobicContact CG1-CG2 3.2Å; I809-V824 HydrophobicContact CG2-CG2 3.74Å; I809-F831 HydrophobicContact CB-CZ 4.42Å; I809-F831 HydrophobicContact CG2-CD1 4.28Å; I809-F831 HydrophobicContact CG2-CE1 3.44Å; I809-F831 VanDerWaalsContact CG2-CE1 3.44Å; I809-F831 HydrophobicContact CG2-CZ 3.63Å; I809-V836 HydrophobicContact CD1-CB 4.43Å; I809-V836 HydrophobicContact CD1-CG1 3.73Å |
| 810 | K | 85.8 | Confident | 82.5 | Confident | 88 Ų | 88 | 65 Ų | 65 | 38% | 0.383 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 111.8 | 170.1 | -172.7 | 175.3 | 178.9 | 177.9 | 0 | 109.4 | L786 L812 G822 E823 | L786-K810 HydrophobicContact CD2-CB 4.15Å; K810-L812 HydrophobicContact CG-CD2 4.41Å; K810-L812 PolarHBondContact O-N 3.05Å; K810-G822 CarbonylContact O-C 3.57Å; K810-G822 WeakPolarHBondContact O-CA 3.21Å; K810-E823 HydrophobicContact CB-CB 4.41Å; K810-E823 PolarHBondContact N-O 2.68Å; K810-E823 PolarHBondContact O-N 3.15Å |
| 811 | I | 86.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 118.6 | -178.4 | -58.1 | 165.4 | 0 | 0 | 0 | 108.7 | S783 F784 G785 A787 I809 K814 W820 E838 | S783-I811 CarbonylContact C-O 3.46Å; S783-I811 WeakPolarHBondContact CA-O 3.48Å; F784-I811 HydrophobicContact CB-CB 4.45Å; F784-I811 HydrophobicContact CB-CG2 4.11Å; F784-I811 PolarHBondContact N-O 3.39Å; G785-I811 PolarHBondContact O-N 3.34Å; A787-I811 HydrophobicContact CB-CD1 3.74Å; A787-I811 HydrophobicContact CB-CG1 4.16Å; I809-I811 PolarHBondContact O-N 3.01Å; I811-K814 HydrophobicContact CG2-CG 3.78Å; I811-W820 HydrophobicContact CD1-CE3 3.8Å; I811-W820 HydrophobicContact CD1-CZ3 3.74Å; I811-W820 HydrophobicContact CG1-CE3 4.23Å; I811-E838 HydrophobicContact CD1-CG 4.09Å |
| 812 | L | 84.1 | Confident | 82.7 | Confident | 26 Ų | 26 | 68 Ų | 68 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -30.3 | 178.4 | -60.3 | 179.9 | 0 | 0 | 0 | 112.1 | I781 F784 K810 K821 E823 V828 | I781-L812 HydrophobicContact CG2-CD2 4.15Å; F784-L812 VanDerWaalsContact CD2-O 3.22Å; F784-L812 WeakPolarHBondContact CD2-O 3.35Å; F784-L812 VanDerWaalsContact CE2-O 3.31Å; F784-L812 WeakPolarHBondContact CE2-O 3.42Å; K810-L812 HydrophobicContact CG-CD2 4.41Å; K810-L812 PolarHBondContact O-N 3.05Å; L812-K821 WeakPolarHBondContact CA-O 3.45Å; L812-K821 PolarHBondContact N-O 2.93Å; L812-E823 HydrophobicContact CD1-CB 4.21Å; L812-V828 HydrophobicContact CD1-CB 4.44Å; L812-V828 HydrophobicContact CD1-CG1 3.74Å; L812-V828 HydrophobicContact CD1-CG2 3.81Å |
| 813 | K | 83 | Confident | 82.5 | Confident | 137 Ų | 137 | 68.5 Ų | 68.5 | 60% | 0.596 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 133.1 | 175.2 | -170.6 | 177.1 | -179.9 | 179.9 | 0 | 111.1 | K821 | K813-K821 HydrophobicContact CB-CB 4.21Å; K813-K821 PolarHBondContact N-O 3.26Å; K813-K821 PolarHBondContact O-N 2.88Å |
| 814 | K | 82.8 | Confident | 82.3 | Confident | 72 Ų | 72 | 68.6 Ų | 68.6 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 120.8 | 170.6 | -61.2 | -175.7 | -176.2 | 176.5 | 0 | 109.8 | I811 W820 E838 | I811-K814 HydrophobicContact CG2-CG 3.78Å; K814-W820 HydrophobicContact CB-CD2 4.39Å; K814-W820 HydrophobicContact CB-CG 4.28Å; K814-W820 HydrophobicContact CD-CD2 4.42Å; K814-W820 HydrophobicContact CD-CH2 4.4Å; K814-W820 HydrophobicContact CD-CZ2 3.98Å; K814-W820 HydrophobicContact CG-CD2 3.89Å; K814-W820 HydrophobicContact CG-CE3 4.43Å; K814-W820 HydrophobicContact CG-CG 4.16Å; K814-W820 HydrophobicContact CG-CZ2 4.31Å; K814-E838 VanDerWaalsContact CE-OE1 3.29Å; K814-E838 WeakPolarHBondContact CE-OE1 3.5Å; K814-E838 IonicContact NZ-OE1 2.81Å; K814-E838 PolarHBondContact NZ-OE1 3.14Å; K814-E838 IonicContact NZ-OE2 3.89Å; K814-E838 PolarHBondContact NZ-OE2 3.08Å |
| 815 | G | 75.3 | Confident | 81.8 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 27% | 0.268 | 34% | 0.342 | S | S | . | . | trans | -90.2 | 145.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | T817 W819 | G815-T817 PolarHBondContact O-N 2.92Å; G815-W819 WeakPolarHBondContact CA-O 3.45Å; G815-W819 PolarHBondContact N-O 3.25Å | ||
| 816 | H | 64.9 | Low | 80.7 | Confident | 202 Ų | 202 | 64.3 Ų | 64.3 | 94% | 0.935 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -13.1 | 179.6 | -65.6 | -72.9 | 0 | 0 | 0 | 114.1 | ||
| 817 | T | 71.9 | Confident | 80.2 | Confident | 120 Ų | 120 | 69.1 Ų | 69.1 | 74% | 0.736 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 11.3 | -176.5 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | G815 W819 | G815-T817 PolarHBondContact O-N 2.92Å; T817-W819 VanDerWaalsContact C-N 3.31Å; T817-W819 PolarHBondContact O-N 2.67Å |
| 818 | G | 79.1 | Confident | 80.1 | Confident | 27 Ų | 27 | 71.4 Ų | 71.4 | 28% | 0.278 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 79.1 | 9.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P832 S833 | G818-P832 CarbonylContact O-C 3.6Å; G818-P832 WeakPolarHBondContact O-CA 3.46Å; G818-S833 PolarHBondContact O-N 3.07Å; G818-S833 PolarHBondContact O-OG 3.42Å; G818-S833 VanDerWaalsContact O-OG 3.14Å |
| 819 | W | 87.3 | Confident | 80.1 | Confident | 85 Ų | 85 | 67.7 Ų | 67.7 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.8 | 170.9 | -73.9 | 79.5 | 0 | 0 | 0 | 110.2 | F793 E800 G815 T817 L830 F831 P832 | F793-W819 HydrophobicContact CE1-CH2 4.21Å; F793-W819 AromaticContact CE1-CZ3 3.96Å; F793-W819 HydrophobicContact CE1-CZ3 3.96Å; F793-W819 AromaticContact CE2-CH2 3.97Å; F793-W819 HydrophobicContact CE2-CH2 3.97Å; F793-W819 HydrophobicContact CE2-CZ3 4.46Å; F793-W819 AromaticContact CZ-CH2 3.42Å; F793-W819 HydrophobicContact CZ-CH2 3.42Å; F793-W819 VanDerWaalsContact CZ-CH2 3.42Å; F793-W819 AromaticContact CZ-CZ3 3.65Å; F793-W819 HydrophobicContact CZ-CZ3 3.65Å; E800-W819 HydrophobicContact CG-CH2 4.25Å; E800-W819 HydrophobicContact CG-CZ3 3.81Å; E800-W819 WeakPolarHBondContact OE1-CH2 3.34Å; G815-W819 WeakPolarHBondContact CA-O 3.45Å; G815-W819 PolarHBondContact N-O 3.25Å; T817-W819 VanDerWaalsContact C-N 3.31Å; T817-W819 PolarHBondContact O-N 2.67Å; W819-L830 HydrophobicContact CE3-CB 4.03Å; W819-F831 CarbonylContact C-O 3.42Å; W819-F831 WeakPolarHBondContact CA-O 3.3Å; W819-P832 HydrophobicContact CD2-CB 4.39Å; W819-P832 HydrophobicContact CE3-CB 4.5Å; W819-P832 HydrophobicContact CZ2-CB 4.43Å |
| 820 | W | 90.6 | Very high | 80 | Confident | 31 Ų | 31 | 70.7 Ų | 70.7 | 12% | 0.117 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 148.1 | 178.9 | -67.8 | 0.8 | 0 | 0 | 0 | 110.2 | I811 K814 L830 F831 V836 E838 | I811-W820 HydrophobicContact CD1-CE3 3.8Å; I811-W820 HydrophobicContact CD1-CZ3 3.74Å; I811-W820 HydrophobicContact CG1-CE3 4.23Å; K814-W820 HydrophobicContact CB-CD2 4.39Å; K814-W820 HydrophobicContact CB-CG 4.28Å; K814-W820 HydrophobicContact CD-CD2 4.42Å; K814-W820 HydrophobicContact CD-CH2 4.4Å; K814-W820 HydrophobicContact CD-CZ2 3.98Å; K814-W820 HydrophobicContact CG-CD2 3.89Å; K814-W820 HydrophobicContact CG-CE3 4.43Å; K814-W820 HydrophobicContact CG-CG 4.16Å; K814-W820 HydrophobicContact CG-CZ2 4.31Å; W820-L830 CarbonylContact O-C 3.6Å; W820-L830 VanDerWaalsContact O-CA 3.27Å; W820-L830 WeakPolarHBondContact O-CA 3.47Å; W820-F831 HydrophobicContact CB-CE1 4.19Å; W820-F831 HydrophobicContact CB-CE2 3.94Å; W820-F831 HydrophobicContact CB-CZ 3.74Å; W820-F831 HydrophobicContact CE3-CE2 4.18Å; W820-F831 HydrophobicContact CE3-CZ 4.29Å; W820-F831 PolarHBondContact N-O 2.84Å; W820-F831 WeakPolarHBondContact O-CD1 3.5Å; W820-F831 PolarHBondContact O-N 3.44Å; W820-V836 HydrophobicContact CE3-CG2 4.01Å; W820-V836 HydrophobicContact CZ3-CG2 3.75Å; W820-E838 HydrophobicContact CH2-CG 3.76Å; W820-E838 WeakPolarHBondContact CH2-OE1 3.28Å; W820-E838 HydrophobicContact CZ3-CG 3.69Å |
| 821 | K | 86 | Confident | 80.2 | Confident | 96 Ų | 96 | 66.5 Ų | 66.5 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.3 | 172 | -166.6 | 170.9 | -179.1 | 174.5 | 0 | 107.9 | L812 K813 V828 G829 L830 | L812-K821 WeakPolarHBondContact CA-O 3.45Å; L812-K821 PolarHBondContact N-O 2.93Å; K813-K821 HydrophobicContact CB-CB 4.21Å; K813-K821 PolarHBondContact N-O 3.26Å; K813-K821 PolarHBondContact O-N 2.88Å; K821-V828 HydrophobicContact CD-CG1 4.2Å; K821-V828 HydrophobicContact CG-CG1 3.95Å; K821-G829 WeakPolarHBondContact CA-O 3.39Å; K821-L830 HydrophobicContact CB-CD2 3.84Å; K821-L830 HydrophobicContact CG-CD2 4.35Å |
| 822 | G | 86.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | -177.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L801 K810 V828 G829 | L801-G822 WeakPolarHBondContact CD2-O 3.36Å; K810-G822 CarbonylContact O-C 3.57Å; K810-G822 WeakPolarHBondContact O-CA 3.21Å; G822-V828 WeakPolarHBondContact O-CA 3.18Å; G822-G829 PolarHBondContact N-O 3.45Å; G822-G829 VanDerWaalsContact N-O 3.1Å; G822-G829 PolarHBondContact O-N 3.27Å; G822-G829 VanDerWaalsContact O-N 3.11Å |
| 823 | E | 82.1 | Confident | 80.4 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 127.5 | -175.7 | -169.6 | -175.5 | 155.6 | 0 | 0 | 109.6 | K810 L812 G826 R827 V828 | K810-E823 HydrophobicContact CB-CB 4.41Å; K810-E823 PolarHBondContact N-O 2.68Å; K810-E823 PolarHBondContact O-N 3.15Å; L812-E823 HydrophobicContact CD1-CB 4.21Å; E823-G826 WeakPolarHBondContact OE1-CA 3.45Å; E823-R827 WeakPolarHBondContact CA-O 3.41Å; E823-V828 HydrophobicContact CB-CG2 4.01Å; E823-V828 HydrophobicContact CG-CG2 3.83Å |
| 824 | V | 78.6 | Confident | 80.7 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 127 | 173.4 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | L801 L803 D807 I809 G826 R827 | L801-V824 HydrophobicContact CD2-CB 3.99Å; L801-V824 HydrophobicContact CD2-CG2 3.81Å; L803-V824 HydrophobicContact CD2-CG2 3.82Å; D807-V824 HydrophobicContact CB-CG1 4.29Å; I809-V824 HydrophobicContact CB-CG2 3.74Å; I809-V824 HydrophobicContact CG1-CG2 3.2Å; I809-V824 HydrophobicContact CG2-CG2 3.74Å; V824-G826 PolarHBondContact O-N 2.9Å; V824-G826 VanDerWaalsContact O-N 3.15Å; V824-R827 PolarHBondContact N-O 3.18Å; V824-R827 VanDerWaalsContact N-O 3.1Å; V824-R827 PolarHBondContact O-N 3.29Å |
| 825 | Y | 73.1 | Confident | 80.9 | Confident | 171 Ų | 171 | 66.2 Ų | 66.2 | 67% | 0.671 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 38.5 | -178.6 | -49.9 | -53.6 | 0 | 0 | 0 | 114.6 | D807 R827 | D807-Y825 PolarHBondContact OD1-OH 3.19Å; D807-Y825 VanDerWaalsContact OD1-OH 3.09Å; Y825-R827 VanDerWaalsContact C-N 3.29Å; Y825-R827 PolarHBondContact O-N 3.29Å |
| 826 | G | 63.2 | Low | 81.5 | Confident | 53 Ų | 53 | 65.7 Ų | 65.7 | 55% | 0.546 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 2.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | E823 V824 | E823-G826 WeakPolarHBondContact OE1-CA 3.45Å; V824-G826 PolarHBondContact O-N 2.9Å; V824-G826 VanDerWaalsContact O-N 3.15Å |
| 827 | R | 68.6 | Low | 82.6 | Confident | 144 Ų | 144 | 59.4 Ų | 59.4 | 54% | 0.543 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.8 | 176.9 | -165.7 | 175.9 | -177.7 | 180 | -3.3 | 110.3 | L801 E823 V824 Y825 | L801-R827 HydrophobicContact CD1-CB 3.92Å; L801-R827 HydrophobicContact CD1-CG 3.98Å; L801-R827 WeakPolarHBondContact CD1-O 3.3Å; E823-R827 WeakPolarHBondContact CA-O 3.41Å; V824-R827 PolarHBondContact N-O 3.18Å; V824-R827 VanDerWaalsContact N-O 3.1Å; V824-R827 PolarHBondContact O-N 3.29Å; Y825-R827 VanDerWaalsContact C-N 3.29Å; Y825-R827 PolarHBondContact O-N 3.29Å |
| 828 | V | 82 | Confident | 83.1 | Confident | 65 Ų | 65 | 55.2 Ų | 55.2 | 39% | 0.394 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.6 | 179.6 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | L812 K821 G822 E823 | L812-V828 HydrophobicContact CD1-CB 4.44Å; L812-V828 HydrophobicContact CD1-CG1 3.74Å; L812-V828 HydrophobicContact CD1-CG2 3.81Å; K821-V828 HydrophobicContact CD-CG1 4.2Å; K821-V828 HydrophobicContact CG-CG1 3.95Å; G822-V828 WeakPolarHBondContact O-CA 3.18Å; E823-V828 HydrophobicContact CB-CG2 4.01Å; E823-V828 HydrophobicContact CG-CG2 3.83Å |
| 829 | G | 84.4 | Confident | 83 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 178.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T799 K821 G822 | T799-G829 CarbonylContact O-C 3.58Å; T799-G829 VanDerWaalsContact O-CA 3.3Å; T799-G829 WeakPolarHBondContact O-CA 3.47Å; K821-G829 WeakPolarHBondContact CA-O 3.39Å; G822-G829 PolarHBondContact N-O 3.45Å; G822-G829 VanDerWaalsContact N-O 3.1Å; G822-G829 PolarHBondContact O-N 3.27Å; G822-G829 VanDerWaalsContact O-N 3.11Å |
| 830 | L | 85.3 | Confident | 81.6 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 136.3 | -179.9 | -67.7 | 168.1 | 0 | 0 | 0 | 111.2 | T799 E800 L801 W819 W820 K821 | T799-L830 PolarHBondContact O-N 3.17Å; E800-L830 CarbonylContact C-O 3.58Å; E800-L830 WeakPolarHBondContact CA-O 3.44Å; E800-L830 WeakPolarHBondContact CB-O 3.33Å; L801-L830 PolarHBondContact N-O 3.05Å; W819-L830 HydrophobicContact CE3-CB 4.03Å; W820-L830 CarbonylContact O-C 3.6Å; W820-L830 VanDerWaalsContact O-CA 3.27Å; W820-L830 WeakPolarHBondContact O-CA 3.47Å; K821-L830 HydrophobicContact CB-CD2 3.84Å; K821-L830 HydrophobicContact CG-CD2 4.35Å |
| 831 | F | 89.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 153.2 | 173.4 | 63.4 | -90.8 | 0 | 0 | 0 | 109.8 | F793 L801 L803 I809 W819 W820 S833 V836 | F793-F831 HydrophobicContact CD1-CB 4.33Å; L801-F831 HydrophobicContact CD2-CD1 4.32Å; L803-F831 HydrophobicContact CD1-CB 3.7Å; L803-F831 HydrophobicContact CD1-CD2 3.63Å; L803-F831 HydrophobicContact CD1-CE2 4.42Å; L803-F831 HydrophobicContact CD1-CG 3.7Å; L803-F831 HydrophobicContact CD2-CB 4.46Å; L803-F831 HydrophobicContact CD2-CG 4.45Å; L803-F831 HydrophobicContact CG-CB 4.06Å; L803-F831 HydrophobicContact CG-CG 4.36Å; I809-F831 HydrophobicContact CB-CZ 4.42Å; I809-F831 HydrophobicContact CG2-CD1 4.28Å; I809-F831 HydrophobicContact CG2-CE1 3.44Å; I809-F831 VanDerWaalsContact CG2-CE1 3.44Å; I809-F831 HydrophobicContact CG2-CZ 3.63Å; W819-F831 CarbonylContact C-O 3.42Å; W819-F831 WeakPolarHBondContact CA-O 3.3Å; W820-F831 HydrophobicContact CB-CE1 4.19Å; W820-F831 HydrophobicContact CB-CE2 3.94Å; W820-F831 HydrophobicContact CB-CZ 3.74Å; W820-F831 HydrophobicContact CE3-CE2 4.18Å; W820-F831 HydrophobicContact CE3-CZ 4.29Å; W820-F831 PolarHBondContact N-O 2.84Å; W820-F831 WeakPolarHBondContact O-CD1 3.5Å; W820-F831 PolarHBondContact O-N 3.44Å; F831-S833 PolarHBondContact O-N 3.5Å; F831-V836 HydrophobicContact CD2-CG1 3.72Å; F831-V836 HydrophobicContact CD2-CG2 4.49Å; F831-V836 HydrophobicContact CE2-CB 4.26Å; F831-V836 HydrophobicContact CE2-CG1 3.51Å; F831-V836 HydrophobicContact CE2-CG2 3.69Å; F831-V836 HydrophobicContact CZ-CG1 4.5Å |
| 832 | P | 88.1 | Confident | 77.2 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 5% | 0.045 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 128.1 | -179 | 29.5 | -34 | 0 | 0 | 0 | 110.6 | F793 G818 W819 N834 Y835 | F793-P832 HydrophobicContact CD1-CG 4.37Å; F793-P832 HydrophobicContact CD2-CG 3.56Å; F793-P832 HydrophobicContact CE2-CG 3.76Å; F793-P832 HydrophobicContact CG-CG 3.93Å; F793-P832 HydrophobicContact CZ-CG 4.28Å; G818-P832 CarbonylContact O-C 3.6Å; G818-P832 WeakPolarHBondContact O-CA 3.46Å; W819-P832 HydrophobicContact CD2-CB 4.39Å; W819-P832 HydrophobicContact CE3-CB 4.5Å; W819-P832 HydrophobicContact CZ2-CB 4.43Å; P832-N834 WeakPolarHBondContact CB-OD1 3.49Å; P832-N834 PolarHBondContact O-N 3.07Å; P832-Y835 HydrophobicContact CB-CD2 3.96Å; P832-Y835 HydrophobicContact CB-CE2 4.46Å; P832-Y835 HydrophobicContact CG-CD2 3.47Å; P832-Y835 VanDerWaalsContact CG-CD2 3.47Å; P832-Y835 HydrophobicContact CG-CE2 3.99Å; P832-Y835 HydrophobicContact CG-CG 3.84Å; P832-Y835 WeakPolarHBondContact O-CB 3.33Å; P832-Y835 PolarHBondContact O-N 3.41Å; P832-Y835 VanDerWaalsContact O-N 3.11Å |
| 833 | S | 87.3 | Confident | 74.9 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 18% | 0.175 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -67.3 | -22.7 | -172.3 | 63.9 | 0 | 0 | 0 | 0 | 113.9 | G818 F831 Y835 V836 | G818-S833 PolarHBondContact O-N 3.07Å; G818-S833 PolarHBondContact O-OG 3.42Å; G818-S833 VanDerWaalsContact O-OG 3.14Å; F831-S833 PolarHBondContact O-N 3.5Å; S833-Y835 PolarHBondContact O-N 3.03Å; S833-V836 WeakPolarHBondContact O-CG2 3.47Å; S833-V836 PolarHBondContact O-N 3.45Å |
| 834 | N | 88.2 | Confident | 72.5 | Confident | 116 Ų | 116 | 85.1 Ų | 85.1 | 62% | 0.62 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -76.5 | -6 | 176.2 | 65.7 | -45.7 | 0 | 0 | 0 | 113.6 | P832 V836 | P832-N834 WeakPolarHBondContact CB-OD1 3.49Å; P832-N834 PolarHBondContact O-N 3.07Å; N834-V836 VanDerWaalsContact C-N 3.34Å |
| 835 | Y | 86.8 | Confident | 72.2 | Confident | 81 Ų | 81 | 89 Ų | 89 | 32% | 0.318 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -90.8 | -3.7 | 174.5 | -80.2 | -118.4 | 0 | 0 | 0 | 112.4 | A789 R790 Y791 D792 F793 P832 S833 | A789-Y835 CarbonylContact C-O 3.58Å; R790-Y835 PolarHBondContact N-O 3.29Å; Y791-Y835 PolarHBondContact N-O 3.45Å; D792-Y835 WeakPolarHBondContact O-CE1 3.23Å; F793-Y835 HydrophobicContact CB-CD1 3.79Å; F793-Y835 HydrophobicContact CB-CE1 4.28Å; F793-Y835 HydrophobicContact CB-CG 4.4Å; F793-Y835 HydrophobicContact CD2-CD1 4.4Å; F793-Y835 HydrophobicContact CD2-CE1 4.31Å; P832-Y835 HydrophobicContact CB-CD2 3.96Å; P832-Y835 HydrophobicContact CB-CE2 4.46Å; P832-Y835 HydrophobicContact CG-CD2 3.47Å; P832-Y835 VanDerWaalsContact CG-CD2 3.47Å; P832-Y835 HydrophobicContact CG-CE2 3.99Å; P832-Y835 HydrophobicContact CG-CG 3.84Å; P832-Y835 WeakPolarHBondContact O-CB 3.33Å; P832-Y835 PolarHBondContact O-N 3.41Å; P832-Y835 VanDerWaalsContact O-N 3.11Å; S833-Y835 PolarHBondContact O-N 3.03Å |
| 836 | V | 88.3 | Confident | 72.2 | Confident | 14 Ų | 14 | 84.7 Ų | 84.7 | 9% | 0.085 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 153.4 | -178.1 | -49.2 | 0 | 0 | 0 | 0 | 109.9 | A787 R788 A789 L803 I809 W820 F831 S833 N834 | A787-V836 HydrophobicContact CB-CB 3.9Å; A787-V836 HydrophobicContact CB-CG2 3.72Å; R788-V836 CarbonylContact O-C 3.5Å; R788-V836 VanDerWaalsContact O-CA 3.26Å; R788-V836 WeakPolarHBondContact O-CA 3.33Å; A789-V836 HydrophobicContact CB-CG1 4.47Å; L803-V836 HydrophobicContact CD1-CG1 3.57Å; I809-V836 HydrophobicContact CD1-CB 4.43Å; I809-V836 HydrophobicContact CD1-CG1 3.73Å; W820-V836 HydrophobicContact CE3-CG2 4.01Å; W820-V836 HydrophobicContact CZ3-CG2 3.75Å; F831-V836 HydrophobicContact CD2-CG1 3.72Å; F831-V836 HydrophobicContact CD2-CG2 4.49Å; F831-V836 HydrophobicContact CE2-CB 4.26Å; F831-V836 HydrophobicContact CE2-CG1 3.51Å; F831-V836 HydrophobicContact CE2-CG2 3.69Å; F831-V836 HydrophobicContact CZ-CG1 4.5Å; S833-V836 WeakPolarHBondContact O-CG2 3.47Å; S833-V836 PolarHBondContact O-N 3.45Å; N834-V836 VanDerWaalsContact C-N 3.34Å |
| 837 | E | 87.3 | Confident | 72.7 | Confident | 70 Ų | 70 | 86.4 Ų | 86.4 | 33% | 0.327 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.2 | 167.7 | 176.2 | 175.5 | -143.5 | 0 | 0 | 108.2 | A787 R788 R790 D839 | A787-E837 CarbonylContact C-O 3.59Å; A787-E837 VanDerWaalsContact CA-O 3.24Å; A787-E837 WeakPolarHBondContact CA-O 3.4Å; A787-E837 WeakPolarHBondContact CB-O 3.42Å; R788-E837 PolarHBondContact N-O 3.32Å; R788-E837 PolarHBondContact O-N 3.31Å; R790-E837 HydrophobicContact CG-CB 3.98Å; R790-E837 VanDerWaalsContact CZ-CD 3.5Å; R790-E837 IonicContact CZ-OE1 2.64Å; R790-E837 IonicContact CZ-OE2 3.76Å; R790-E837 VanDerWaalsContact NE-CD 3.34Å; R790-E837 IonicContact NE-OE1 2.81Å; R790-E837 IonicContact NE-OE2 3.48Å; R790-E837 PolarHBondContact NE-OE2 3.3Å; R790-E837 IonicContact NH2-OE1 3.31Å; R790-E837 PolarHBondContact NH2-OE1 3.15Å; R790-E837 IonicContact NH2-OE2 2.79Å; R790-E837 PolarHBondContact NH2-OE2 3.16Å; E837-D839 PolarHBondContact O-N 3.28Å |
| 838 | E | 83.4 | Confident | 72.9 | Confident | 32 Ų | 32 | 83.1 Ų | 83.1 | 15% | 0.15 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 128.4 | 174 | -67.1 | -172.3 | -137.5 | 0 | 0 | 110 | A787 I811 K814 W820 Y840 | A787-E838 HydrophobicContact CB-CG 4.4Å; I811-E838 HydrophobicContact CD1-CG 4.09Å; K814-E838 VanDerWaalsContact CE-OE1 3.29Å; K814-E838 WeakPolarHBondContact CE-OE1 3.5Å; K814-E838 IonicContact NZ-OE1 2.81Å; K814-E838 PolarHBondContact NZ-OE1 3.14Å; K814-E838 IonicContact NZ-OE2 3.89Å; K814-E838 PolarHBondContact NZ-OE2 3.08Å; W820-E838 HydrophobicContact CH2-CG 3.76Å; W820-E838 WeakPolarHBondContact CH2-OE1 3.28Å; W820-E838 HydrophobicContact CZ3-CG 3.69Å; E838-Y840 HydrophobicContact CB-CD2 4.07Å; E838-Y840 HydrophobicContact CB-CE2 3.63Å; E838-Y840 WeakPolarHBondContact O-CD2 3.47Å; E838-Y840 PolarHBondContact O-N 2.96Å; E838-Y840 VanDerWaalsContact O-N 3.15Å |
| 839 | D | 75.8 | Confident | 72.4 | Confident | 71 Ų | 71 | 84.2 Ų | 84.2 | 38% | 0.38 | 43% | 0.432 | S | S | . | . | trans | -76.5 | 101.8 | 170 | -91 | -32.3 | 0 | 0 | 0 | 107.8 | L786 E837 S841 | L786-D839 PolarHBondContact O-N 3.01Å; L786-D839 VanDerWaalsContact O-N 3.13Å; E837-D839 PolarHBondContact O-N 3.28Å; D839-S841 PolarHBondContact O-N 3.5Å | ||
| 840 | Y | 59.8 | Low | 71.6 | Confident | 190 Ų | 190 | 89.6 Ų | 89.6 | 75% | 0.745 | 46% | 0.459 | S | S | * | . | trans | -83.8 | 30.1 | 172.6 | -69.4 | -81.5 | 0 | 0 | 0 | 112.5 | E838 D842 | E838-Y840 HydrophobicContact CB-CD2 4.07Å; E838-Y840 HydrophobicContact CB-CE2 3.63Å; E838-Y840 WeakPolarHBondContact O-CD2 3.47Å; E838-Y840 PolarHBondContact O-N 2.96Å; E838-Y840 VanDerWaalsContact O-N 3.15Å; Y840-D842 PolarHBondContact O-N 3.38Å | ||
| 841 | S | 45.9 | Very low | 70.6 | Confident | 85 Ų | 85 | 91.5 Ų | 91.5 | 59% | 0.594 | 47% | 0.468 | S | S | * | . | trans | -89.8 | 85.8 | 174.5 | 60.4 | 0 | 0 | 0 | 0 | 110.4 | D839 | D839-S841 PolarHBondContact O-N 3.5Š| ||
| 842 | D | 38 | Very low | 69.2 | Low | 147 Ų | 147 | 98.5 Ų | 98.5 | 79% | 0.786 | 50% | 0.504 | S | S | * | . | 164.1 | 83.5 | 129.1 | -79.9 | -9.8 | 0 | 0 | 0 | 109.8 | Y840 | Y840-D842 PolarHBondContact O-N 3.38Š| |||
| 843 | Y | 37.7 | Very low | 67.6 | Low | 235 Ų | 235 | 106.2 Ų | 106.2 | 92% | 0.922 | 54% | 0.542 | S | S | * | . | trans | -125.9 | 103.6 | 150.5 | -88.2 | -80.6 | 0 | 0 | 0 | 107.8 | ||||
| 844 | C | 32.5 | Very low | 65.8 | Low | 208 Ų | 208 | 113.5 Ų | 113.5 | 100% | 1.405 | 58% | 0.576 | S | S | * | * | trans | 85.3 | 0 | 177.3 | -63.2 | 0 | 0 | 0 | 0 | 117.6 |
Retrieved 844 of 844 residues in 1137.3 ms
(Link to these results)