| 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 | 88.4 | Confident | 67.6 | Low | 19 Ų | 19 | 84.6 Ų | 84.6 | 9% | 0.094 | 44% | 0.442 | C | S | . | . | 0 | 127.8 | 0 | 172.9 | -180 | 86.2 | 0 | 0 | 105.2 | E3 S17 A18 W20 V182 H233 G236 R237 | M1-E3 WeakPolarHBondContact CE-OE1 3.43Å; M1-S17 WeakPolarHBondContact CE-OG 3.26Å; M1-S17 PolarHBondContact O-N 3.4Å; M1-S17 PolarHBondContact O-OG 3.27Å; M1-A18 WeakPolarHBondContact CB-O 3.42Å; M1-A18 HydrophobicContact CE-CB 3.84Å; M1-A18 PolarHBondContact N-O 3.15Å; M1-W20 HydrophobicContact CB-CH2 4.05Å; M1-W20 HydrophobicContact CB-CZ3 3.56Å; M1-W20 HydrophobicContact CE-CH2 4.13Å; M1-W20 HydrophobicContact SD-CH2 3.84Å; M1-W20 HydrophobicContact SD-CZ3 4.31Å; M1-V182 CarbonylContact C-O 3.52Å; M1-V182 VanDerWaalsContact CA-O 3.26Å; M1-V182 WeakPolarHBondContact CA-O 3.41Å; M1-V182 HydrophobicContact CB-CB 4.21Å; M1-V182 HydrophobicContact CG-CB 4.19Å; M1-V182 HydrophobicContact CG-CG1 4.02Å; M1-V182 HydrophobicContact SD-CG1 4.44Å; M1-H233 VanDerWaalsContact CE-CE1 3.41Å; M1-H233 WeakPolarHBondContact CE-CE1 3.46Å; M1-H233 WeakPolarHBondContact CE-ND1 3.26Å; M1-G236 VanDerWaalsContact SD-C 3.59Å; M1-R237 HydrophobicContact CE-CG 3.87Å; M1-R237 HydrophobicContact SD-CG 4.11Å | |||
| 2 | D | 88.7 | Confident | 68 | Low | 10 Ų | 10 | 78.7 Ų | 78.7 | 5% | 0.053 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 138 | -174.4 | -61.6 | -0.2 | 0 | 0 | 0 | 109 | W14 R15 H101 V182 L183 V184 | D2-W14 HydrophobicContact CB-CB 4.47Å; D2-W14 HydrophobicContact CB-CE3 3.93Å; D2-W14 WeakPolarHBondContact O-CZ3 3.3Å; D2-R15 CarbonylContact C-O 3.55Å; D2-R15 VanDerWaalsContact CA-O 3.32Å; D2-R15 WeakPolarHBondContact CA-O 3.38Å; D2-H101 IonicContact OD2-CE1 2.65Å; D2-H101 IonicContact OD2-CG 2.89Å; D2-H101 IonicContact OD2-ND1 2.66Å; D2-H101 PolarHBondContact OD2-ND1 2.94Å; D2-V182 PolarHBondContact N-O 3.34Å; D2-L183 HydrophobicContact CB-CD2 3.87Å; D2-V184 PolarHBondContact O-N 3.48Å |
| 3 | E | 88.1 | Confident | 69.1 | Low | 47 Ų | 47 | 75.6 Ų | 75.6 | 22% | 0.22 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.8 | 177 | -84.9 | 162.9 | -119.9 | 0 | 0 | 111.4 | M1 C5 W14 R15 S17 V184 H233 | M1-E3 WeakPolarHBondContact CE-OE1 3.43Å; E3-C5 PolarHBondContact O-N 3.03Å; E3-W14 CarbonylContact O-C 3.58Å; E3-R15 PolarHBondContact N-O 2.89Å; E3-R15 PolarHBondContact O-N 2.66Å; E3-S17 WeakPolarHBondContact OE1-CB 3.45Å; E3-S17 PolarHBondContact OE1-OG 3.34Å; E3-V184 VanDerWaalsContact CA-O 3.24Å; E3-V184 WeakPolarHBondContact CA-O 3.46Å; E3-H233 VanDerWaalsContact CD-ND1 3.31Å; E3-H233 IonicContact OE1-CE1 2.74Å; E3-H233 PolarHBondContact OE1-CE1 2.92Å; E3-H233 IonicContact OE1-CG 3.24Å; E3-H233 IonicContact OE1-ND1 2.64Å; E3-H233 PolarHBondContact OE1-ND1 3.31Å; E3-H233 IonicContact OE2-ND1 3.61Å |
| 4 | I | 86.6 | Confident | 70.4 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 7% | 0.072 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 114.1 | 173.6 | -170.3 | 156 | 0 | 0 | 0 | 109.6 | W14 T96 V184 L187 L223 | I4-W14 HydrophobicContact CB-CD2 4.09Å; I4-W14 HydrophobicContact CB-CE3 3.91Å; I4-W14 HydrophobicContact CB-CH2 4.07Å; I4-W14 HydrophobicContact CB-CZ2 4.25Å; I4-W14 HydrophobicContact CB-CZ3 3.89Å; I4-W14 HydrophobicContact CD1-CZ2 4.23Å; I4-W14 HydrophobicContact CG2-CH2 4.21Å; I4-W14 HydrophobicContact CG2-CZ3 4.26Å; I4-T96 HydrophobicContact CD1-CG2 4.24Å; I4-V184 PolarHBondContact N-O 3.16Å; I4-V184 VanDerWaalsContact N-O 3.13Å; I4-L187 HydrophobicContact CD1-CD2 4.23Å; I4-L223 HydrophobicContact CG2-CD2 4.32Å |
| 5 | C | 71.3 | Confident | 71.4 | Confident | 43 Ų | 43 | 71.5 Ų | 71.5 | 29% | 0.291 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.4 | 173.9 | -66.7 | 0 | 0 | 0 | 0 | 109.6 | E3 R7 S12 E13 | E3-C5 PolarHBondContact O-N 3.03Å; C5-R7 PolarHBondContact O-N 3.4Å; C5-S12 VanDerWaalsContact O-CA 3.3Å; C5-S12 WeakPolarHBondContact O-CA 3.47Å; C5-E13 PolarHBondContact N-O 3.35Å; C5-E13 PolarHBondContact O-N 3.23Å; C5-E13 VanDerWaalsContact O-N 3.13Å |
| 6 | L | 64.8 | Low | 72.3 | Confident | 91 Ų | 91 | 68.8 Ų | 68.8 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 115.3 | 164.8 | -71.1 | 152.4 | 0 | 0 | 0 | 107.6 | L226 | L6-L226 HydrophobicContact CD1-CD2 4.49Å |
| 7 | R | 54 | Low | 73.1 | Confident | 150 Ų | 150 | 66.1 Ų | 66.1 | 57% | 0.566 | 34% | 0.339 | S | S | * | . | trans | -69.6 | 153.7 | 164.7 | -102.3 | 177.6 | 169.5 | 156.7 | 5 | 108.8 | C5 G9 E13 | C5-R7 PolarHBondContact O-N 3.4Å; R7-G9 CarbonylContact O-C 3.58Å; R7-G9 PolarHBondContact O-N 2.78Å; R7-E13 IonicContact CZ-OE1 3.76Å; R7-E13 IonicContact NE-OE1 2.85Å; R7-E13 IonicContact NH1-OE2 2.78Å | ||
| 8 | D | 44.9 | Very low | 73.9 | Confident | 189 Ų | 189 | 62.4 Ų | 62.4 | 100% | 1.011 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -64.7 | 57.5 | 173.6 | -73.3 | -45.5 | 0 | 0 | 0 | 112.8 | ||
| 9 | G | 44.9 | Very low | 74.7 | Confident | 50 Ų | 50 | 61.2 Ų | 61.2 | 52% | 0.515 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 153.4 | 118.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 108 | R7 D11 | R7-G9 CarbonylContact O-C 3.58Å; R7-G9 PolarHBondContact O-N 2.78Å; G9-D11 PolarHBondContact O-N 2.72Å |
| 10 | E | 52.9 | Low | 75.4 | Confident | 194 Ų | 194 | 60.3 Ų | 60.3 | 91% | 0.907 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -14 | -10.9 | -173.2 | -64.4 | -179.9 | 163.9 | 0 | 0 | 122.9 | S12 | E10-S12 PolarHBondContact O-N 2.64Š|
| 11 | D | 59.2 | Low | 75.5 | Confident | 124 Ų | 124 | 60.6 Ų | 60.6 | 66% | 0.663 | 31% | 0.306 | S | S | * | . | trans | -90.7 | 94.8 | 177.7 | -73.5 | -28.2 | 0 | 0 | 0 | 112.3 | G9 | G9-D11 PolarHBondContact O-N 2.72Š| ||
| 12 | S | 71.9 | Confident | 74.9 | Confident | 13 Ų | 13 | 65 Ų | 65 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 140.7 | 163.1 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | C5 E10 K99 | C5-S12 VanDerWaalsContact O-CA 3.3Å; C5-S12 WeakPolarHBondContact O-CA 3.47Å; E10-S12 PolarHBondContact O-N 2.64Å; S12-K99 WeakPolarHBondContact O-CD 3.43Å; S12-K99 PolarHBondContact O-NZ 2.87Å; S12-K99 VanDerWaalsContact OG-CE 3.3Å; S12-K99 WeakPolarHBondContact OG-CE 3.47Å; S12-K99 PolarHBondContact OG-NZ 2.83Å |
| 13 | E | 82.8 | Confident | 74.7 | Confident | 39 Ų | 39 | 65.8 Ų | 65.8 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 147.5 | 176.3 | 65.4 | -177 | 178 | 0 | 0 | 110.5 | C5 R7 R15 | C5-E13 PolarHBondContact N-O 3.35Å; C5-E13 PolarHBondContact O-N 3.23Å; C5-E13 VanDerWaalsContact O-N 3.13Å; R7-E13 IonicContact CZ-OE1 3.76Å; R7-E13 IonicContact NE-OE1 2.85Å; R7-E13 IonicContact NH1-OE2 2.78Å; E13-R15 HydrophobicContact CG-CG 4.17Å; E13-R15 IonicContact OE1-CZ 2.69Å; E13-R15 IonicContact OE1-NE 3.89Å; E13-R15 PolarHBondContact OE1-NE 2.96Å; E13-R15 IonicContact OE1-NH2 2.75Å; E13-R15 PolarHBondContact OE1-NH2 2.65Å |
| 14 | W | 86.9 | Confident | 74.7 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 128.6 | 172.8 | -72.2 | 103.9 | 0 | 0 | 0 | 109.3 | D2 E3 I4 T96 L97 Q100 H101 H102 L183 V184 L223 | D2-W14 HydrophobicContact CB-CB 4.47Å; D2-W14 HydrophobicContact CB-CE3 3.93Å; D2-W14 WeakPolarHBondContact O-CZ3 3.3Å; E3-W14 CarbonylContact O-C 3.58Å; I4-W14 HydrophobicContact CB-CD2 4.09Å; I4-W14 HydrophobicContact CB-CE3 3.91Å; I4-W14 HydrophobicContact CB-CH2 4.07Å; I4-W14 HydrophobicContact CB-CZ2 4.25Å; I4-W14 HydrophobicContact CB-CZ3 3.89Å; I4-W14 HydrophobicContact CD1-CZ2 4.23Å; I4-W14 HydrophobicContact CG2-CH2 4.21Å; I4-W14 HydrophobicContact CG2-CZ3 4.26Å; W14-T96 PolarHBondContact NE1-O 2.92Å; W14-L97 HydrophobicContact CZ2-CD2 4.42Å; W14-Q100 PolarHBondContact N-O 3.36Å; W14-H101 HydrophobicContact CB-CB 4.26Å; W14-H101 AromaticContact CD1-CE1 3.85Å; W14-H101 AromaticContact CD1-NE2 3.72Å; W14-H101 AromaticContact CG-CE1 3.71Å; W14-H101 AromaticContact CG-ND1 3.89Å; W14-H102 WeakPolarHBondContact O-CB 3.12Å; W14-H102 PolarHBondContact O-N 2.87Å; W14-L183 HydrophobicContact CE3-CD2 4.33Å; W14-L183 HydrophobicContact CH2-CB 3.72Å; W14-L183 HydrophobicContact CZ2-CB 4.41Å; W14-L183 HydrophobicContact CZ3-CB 3.83Å; W14-L183 HydrophobicContact CZ3-CD2 4.36Å; W14-V184 WeakPolarHBondContact CZ3-O 2.92Å; W14-L223 HydrophobicContact CH2-CD2 3.85Å; W14-L223 HydrophobicContact CZ2-CD2 4.3Å |
| 15 | R | 85.9 | Confident | 74.7 | Confident | 90 Ų | 90 | 64 Ų | 64 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.8 | 177.3 | -67 | -171.3 | 176.9 | 169.8 | 5.6 | 110.3 | D2 E3 E13 S17 | D2-R15 CarbonylContact C-O 3.55Å; D2-R15 VanDerWaalsContact CA-O 3.32Å; D2-R15 WeakPolarHBondContact CA-O 3.38Å; E3-R15 PolarHBondContact N-O 2.89Å; E3-R15 PolarHBondContact O-N 2.66Å; E13-R15 HydrophobicContact CG-CG 4.17Å; E13-R15 IonicContact OE1-CZ 2.69Å; E13-R15 IonicContact OE1-NE 3.89Å; E13-R15 PolarHBondContact OE1-NE 2.96Å; E13-R15 IonicContact OE1-NH2 2.75Å; E13-R15 PolarHBondContact OE1-NH2 2.65Å; R15-S17 PolarHBondContact O-N 3.38Å |
| 16 | E | 85.6 | Confident | 75.4 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 13% | 0.126 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 121.6 | 172.5 | -164.5 | -176.3 | -172 | 0 | 0 | 109.8 | V27 W34 H102 H103 | E16-V27 WeakPolarHBondContact O-CG2 3.29Å; E16-W34 VanDerWaalsContact CD-CZ2 3.44Å; E16-W34 HydrophobicContact CG-CH2 3.8Å; E16-W34 HydrophobicContact CG-CZ2 4.17Å; E16-W34 WeakPolarHBondContact OE1-CH2 3.21Å; E16-W34 WeakPolarHBondContact OE1-CZ2 3.48Å; E16-W34 WeakPolarHBondContact OE2-CZ2 3.42Å; E16-H102 PolarHBondContact N-O 2.84Å; E16-H103 IonicContact OE2-ND1 3.85Å |
| 17 | S | 85.7 | Confident | 76.2 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | trans | -109.7 | -37.8 | -177 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | M1 E3 R15 V27 | M1-S17 WeakPolarHBondContact CE-OG 3.26Å; M1-S17 PolarHBondContact O-N 3.4Å; M1-S17 PolarHBondContact O-OG 3.27Å; E3-S17 WeakPolarHBondContact OE1-CB 3.45Å; E3-S17 PolarHBondContact OE1-OG 3.34Å; R15-S17 PolarHBondContact O-N 3.38Å; S17-V27 WeakPolarHBondContact O-CG2 3.27Å; S17-V27 PolarHBondContact O-N 3.05Å | ||
| 18 | A | 88.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 156.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 W20 E25 D26 | M1-A18 WeakPolarHBondContact CB-O 3.42Å; M1-A18 HydrophobicContact CE-CB 3.84Å; M1-A18 PolarHBondContact N-O 3.15Å; A18-W20 HydrophobicContact CB-CH2 3.41Å; A18-W20 VanDerWaalsContact CB-CH2 3.41Å; A18-W20 HydrophobicContact CB-CZ2 4.17Å; A18-W20 HydrophobicContact CB-CZ3 3.69Å; A18-E25 CarbonylContact C-O 3.57Å; A18-E25 WeakPolarHBondContact CA-O 3.49Å; A18-D26 WeakPolarHBondContact CB-OD1 3.26Å |
| 19 | R | 88 | Confident | 77.9 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 155.3 | 176 | 70.5 | -178.8 | -170.6 | -159.1 | -7.5 | 112.7 | E25 W34 E211 | R19-E25 HydrophobicContact CG-CB 4.07Å; R19-E25 IonicContact CZ-OE2 2.7Å; R19-E25 PolarHBondContact N-O 3.4Å; R19-E25 IonicContact NE-OE2 2.82Å; R19-E25 PolarHBondContact NE-OE2 3.34Å; R19-E25 IonicContact NH2-OE1 3.83Å; R19-E25 IonicContact NH2-OE2 3.98Å; R19-E25 PolarHBondContact NH2-OE2 3.2Å; R19-E25 PolarHBondContact O-N 3.49Å; R19-W34 HydrophobicContact CB-CH2 4.2Å; R19-W34 HydrophobicContact CB-CZ3 4.37Å; R19-W34 HydrophobicContact CG-CE3 4.32Å; R19-W34 HydrophobicContact CG-CH2 3.91Å; R19-W34 HydrophobicContact CG-CZ3 3.81Å; R19-E211 IonicContact NH1-OE2 3.31Å |
| 20 | W | 88.4 | Confident | 78.4 | Confident | 43 Ų | 43 | 57.3 Ų | 57.3 | 16% | 0.163 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.1 | 179.8 | -62.1 | -107.5 | 0 | 0 | 0 | 110.5 | M1 A18 E24 R237 A240 T241 T244 | M1-W20 HydrophobicContact CB-CH2 4.05Å; M1-W20 HydrophobicContact CB-CZ3 3.56Å; M1-W20 HydrophobicContact CE-CH2 4.13Å; M1-W20 HydrophobicContact SD-CH2 3.84Å; M1-W20 HydrophobicContact SD-CZ3 4.31Å; A18-W20 HydrophobicContact CB-CH2 3.41Å; A18-W20 VanDerWaalsContact CB-CH2 3.41Å; A18-W20 HydrophobicContact CB-CZ2 4.17Å; A18-W20 HydrophobicContact CB-CZ3 3.69Å; W20-E24 HydrophobicContact CZ2-CG 4.04Å; W20-E24 VanDerWaalsContact CZ2-OE1 3.25Å; W20-E24 WeakPolarHBondContact CZ2-OE1 3.36Å; W20-R237 HydrophobicContact CH2-CB 4.48Å; W20-R237 HydrophobicContact CH2-CG 4.11Å; W20-R237 HydrophobicContact CZ2-CB 4.11Å; W20-R237 HydrophobicContact CZ2-CG 4.03Å; W20-A240 HydrophobicContact CD2-CB 3.67Å; W20-A240 HydrophobicContact CE3-CB 3.46Å; W20-A240 VanDerWaalsContact CE3-CB 3.46Å; W20-A240 HydrophobicContact CH2-CB 3.67Å; W20-A240 HydrophobicContact CZ2-CB 3.82Å; W20-A240 HydrophobicContact CZ3-CB 3.5Å; W20-A240 VanDerWaalsContact CZ3-CB 3.5Å; W20-T241 PolarHBondContact NE1-OG1 3.5Å; W20-T244 HydrophobicContact CB-CG2 3.57Å; W20-T244 HydrophobicContact CG-CG2 4.34Å |
| 21 | L | 79.5 | Confident | 78.5 | Confident | 68 Ų | 68 | 49 Ų | 49 | 36% | 0.356 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -115.6 | -39.3 | 166 | -168.8 | 71.2 | 0 | 0 | 0 | 111.2 | I173 | L21-I173 HydrophobicContact CD1-CG1 4.36Š|
| 22 | K | 75.6 | Confident | 78.5 | Confident | 112 Ų | 112 | 50.7 Ų | 50.7 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -150 | -38.9 | 169.8 | -74.1 | -170.6 | -176.5 | 179.3 | 0 | 110 | E748 | K22-E748 IonicContact NZ-OE2 3.15Å; K22-E748 PolarHBondContact NZ-OE2 3.39Å |
| 23 | F | 83.7 | Confident | 78.6 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 11% | 0.114 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -116.7 | 161.4 | 175.1 | -61.7 | -63.8 | 0 | 0 | 0 | 109.1 | P37 Y38 V39 P288 V292 | F23-P37 HydrophobicContact CB-CB 3.91Å; F23-Y38 WeakPolarHBondContact CB-O 3.46Å; F23-V39 HydrophobicContact CD1-CG2 4.4Å; F23-V39 HydrophobicContact CE1-CG2 4.33Å; F23-P288 HydrophobicContact CD1-CB 4.15Å; F23-P288 HydrophobicContact CD1-CG 4.17Å; F23-P288 HydrophobicContact CD2-CB 4.14Å; F23-P288 HydrophobicContact CD2-CG 4.09Å; F23-P288 HydrophobicContact CE1-CB 3.83Å; F23-P288 HydrophobicContact CE1-CG 4.36Å; F23-P288 HydrophobicContact CE2-CB 3.81Å; F23-P288 HydrophobicContact CE2-CG 4.28Å; F23-P288 HydrophobicContact CG-CB 4.31Å; F23-P288 HydrophobicContact CG-CG 4.05Å; F23-P288 HydrophobicContact CZ-CB 3.66Å; F23-P288 HydrophobicContact CZ-CG 4.42Å; F23-V292 HydrophobicContact CZ-CG2 3.94Å |
| 24 | E | 87.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 135 | 179.5 | -178.4 | 169.3 | -144.5 | 0 | 0 | 110.3 | W20 D26 P37 Y38 A40 R237 | W20-E24 HydrophobicContact CZ2-CG 4.04Å; W20-E24 VanDerWaalsContact CZ2-OE1 3.25Å; W20-E24 WeakPolarHBondContact CZ2-OE1 3.36Å; E24-D26 WeakPolarHBondContact CG-OD1 3.15Å; E24-P37 WeakPolarHBondContact O-CA 3.3Å; E24-Y38 HydrophobicContact CB-CD2 4.4Å; E24-Y38 HydrophobicContact CB-CE2 4.11Å; E24-Y38 HydrophobicContact CG-CE2 3.99Å; E24-Y38 PolarHBondContact N-O 2.92Å; E24-Y38 PolarHBondContact O-N 3.23Å; E24-Y38 WeakPolarHBondContact OE2-CE2 3.28Å; E24-A40 HydrophobicContact CB-CB 4.07Å; E24-A40 VanDerWaalsContact OE2-CA 3.24Å; E24-A40 WeakPolarHBondContact OE2-CA 3.07Å; E24-A40 VanDerWaalsContact OE2-CB 3.27Å; E24-A40 WeakPolarHBondContact OE2-CB 3.33Å; E24-R237 VanDerWaalsContact CD-NH2 3.35Å; E24-R237 IonicContact OE1-CZ 3.72Å; E24-R237 VanDerWaalsContact OE1-CZ 3.31Å; E24-R237 IonicContact OE1-NE 3.92Å; E24-R237 PolarHBondContact OE1-NE 3.38Å; E24-R237 IonicContact OE1-NH2 3.33Å; E24-R237 PolarHBondContact OE1-NH2 3.26Å; E24-R237 VanDerWaalsContact OE1-NH2 3.09Å; E24-R237 IonicContact OE2-CZ 3.6Å; E24-R237 IonicContact OE2-NE 3.69Å; E24-R237 IonicContact OE2-NH2 3.57Å; E24-R237 PolarHBondContact OE2-NH2 3.03Å |
| 25 | E | 86.9 | Confident | 78 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.8 | 168.4 | -69.3 | -179.2 | 134 | 0 | 0 | 108.4 | A18 R19 W34 P37 | A18-E25 CarbonylContact C-O 3.57Å; A18-E25 WeakPolarHBondContact CA-O 3.49Å; R19-E25 HydrophobicContact CG-CB 4.07Å; R19-E25 IonicContact CZ-OE2 2.7Å; R19-E25 PolarHBondContact N-O 3.4Å; R19-E25 IonicContact NE-OE2 2.82Å; R19-E25 PolarHBondContact NE-OE2 3.34Å; R19-E25 IonicContact NH2-OE1 3.83Å; R19-E25 IonicContact NH2-OE2 3.98Å; R19-E25 PolarHBondContact NH2-OE2 3.2Å; R19-E25 PolarHBondContact O-N 3.49Å; E25-W34 HydrophobicContact CB-CE3 4.19Å; E25-W34 WeakPolarHBondContact O-CZ3 3.41Å; E25-P37 HydrophobicContact CG-CB 4.08Å; E25-P37 HydrophobicContact CG-CG 3.86Å; E25-P37 WeakPolarHBondContact OE1-CG 3.48Å |
| 26 | D | 86.2 | Confident | 77.7 | Confident | 26 Ų | 26 | 60.8 Ų | 60.8 | 14% | 0.139 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 152.4 | -177.2 | -74.1 | 5.1 | 0 | 0 | 0 | 110.2 | A18 E24 S35 Y38 | A18-D26 WeakPolarHBondContact CB-OD1 3.26Å; E24-D26 WeakPolarHBondContact CG-OD1 3.15Å; D26-S35 PolarHBondContact N-OG 3.01Å; D26-S35 WeakPolarHBondContact O-CB 3.37Å; D26-S35 PolarHBondContact O-N 3.22Å; D26-S35 PolarHBondContact O-OG 3.26Å; D26-Y38 PolarHBondContact OD2-OH 2.98Å |
| 27 | V | 81.7 | Confident | 77.6 | Confident | 31 Ų | 31 | 60.5 Ų | 60.5 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -77 | 122.8 | 170.3 | -179 | 0 | 0 | 0 | 0 | 109.2 | E16 S17 W34 | E16-V27 WeakPolarHBondContact O-CG2 3.29Å; S17-V27 WeakPolarHBondContact O-CG2 3.27Å; S17-V27 PolarHBondContact O-N 3.05Å; V27-W34 HydrophobicContact CG2-CD2 4.31Å; V27-W34 HydrophobicContact CG2-CE3 3.85Å; V27-W34 HydrophobicContact CG2-CH2 3.75Å; V27-W34 HydrophobicContact CG2-CZ2 4.2Å; V27-W34 HydrophobicContact CG2-CZ3 3.55Å |
| 28 | E | 76.5 | Confident | 77.4 | Confident | 68 Ų | 68 | 60 Ų | 60 | 32% | 0.318 | 30% | 0.303 | S | S | . | . | trans | -70.1 | 147.8 | -178.5 | -65.2 | -178.2 | 160.1 | 0 | 0 | 112.3 | G30 G31 R33 R285 | E28-G30 PolarHBondContact O-N 2.68Å; E28-G31 PolarHBondContact O-N 3.16Å; E28-R33 PolarHBondContact N-O 2.91Å; E28-R285 IonicContact OE1-NH1 2.81Å | ||
| 29 | D | 57.9 | Low | 77.2 | Confident | 183 Ų | 183 | 62.3 Ų | 62.3 | 98% | 0.979 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 110.4 | 177.8 | -72.2 | -35.3 | 0 | 0 | 0 | 111.1 | ||
| 30 | G | 56.5 | Low | 77 | Confident | 75 Ų | 75 | 61.6 Ų | 61.6 | 77% | 0.773 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.4 | -11.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E28 E32 | E28-G30 PolarHBondContact O-N 2.68Å; G30-E32 VanDerWaalsContact C-N 3.35Å; G30-E32 PolarHBondContact O-N 3.47Å |
| 31 | G | 54.6 | Low | 76.8 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 22% | 0.216 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 65.6 | 28.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E28 Q104 | E28-G31 PolarHBondContact O-N 3.16Å; G31-Q104 VanDerWaalsContact C-NE2 3.33Å; G31-Q104 PolarHBondContact O-NE2 2.89Å; G31-Q104 PolarHBondContact O-OE1 2.79Å |
| 32 | E | 58.8 | Low | 77.2 | Confident | 158 Ų | 158 | 59.7 Ų | 59.7 | 74% | 0.738 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -117.7 | -12.3 | 178.7 | -68.8 | -158.9 | 162.7 | 0 | 0 | 114.3 | G30 Q104 | G30-E32 VanDerWaalsContact C-N 3.35Å; G30-E32 PolarHBondContact O-N 3.47Å; E32-Q104 PolarHBondContact O-NE2 2.97Å |
| 33 | R | 73.5 | Confident | 77.6 | Confident | 157 Ų | 157 | 56.6 Ų | 56.6 | 59% | 0.592 | 31% | 0.306 | S | S | * | . | trans | -146.4 | 139.7 | -169.6 | -178.4 | 176 | -179.4 | -173.9 | 1.6 | 113.3 | E28 | E28-R33 PolarHBondContact N-O 2.91Š| ||
| 34 | W | 78.8 | Confident | 77.8 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -75.4 | 137.3 | 165.5 | -70.1 | 107 | 0 | 0 | 0 | 111.3 | E16 R19 E25 V27 Q104 | E16-W34 VanDerWaalsContact CD-CZ2 3.44Å; E16-W34 HydrophobicContact CG-CH2 3.8Å; E16-W34 HydrophobicContact CG-CZ2 4.17Å; E16-W34 WeakPolarHBondContact OE1-CH2 3.21Å; E16-W34 WeakPolarHBondContact OE1-CZ2 3.48Å; E16-W34 WeakPolarHBondContact OE2-CZ2 3.42Å; R19-W34 HydrophobicContact CB-CH2 4.2Å; R19-W34 HydrophobicContact CB-CZ3 4.37Å; R19-W34 HydrophobicContact CG-CE3 4.32Å; R19-W34 HydrophobicContact CG-CH2 3.91Å; R19-W34 HydrophobicContact CG-CZ3 3.81Å; E25-W34 HydrophobicContact CB-CE3 4.19Å; E25-W34 WeakPolarHBondContact O-CZ3 3.41Å; V27-W34 HydrophobicContact CG2-CD2 4.31Å; V27-W34 HydrophobicContact CG2-CE3 3.85Å; V27-W34 HydrophobicContact CG2-CH2 3.75Å; V27-W34 HydrophobicContact CG2-CZ2 4.2Å; V27-W34 HydrophobicContact CG2-CZ3 3.55Å; W34-Q104 HydrophobicContact CZ2-CB 4.5Å |
| 35 | S | 79.6 | Confident | 77.8 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 4% | 0.035 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 168 | 172.9 | 70.2 | 0 | 0 | 0 | 0 | 112 | D26 R285 | D26-S35 PolarHBondContact N-OG 3.01Å; D26-S35 WeakPolarHBondContact O-CB 3.37Å; D26-S35 PolarHBondContact O-N 3.22Å; D26-S35 PolarHBondContact O-OG 3.26Å; S35-R285 VanDerWaalsContact CB-NH1 3.28Å |
| 36 | K | 79.6 | Confident | 78 | Confident | 154 Ų | 154 | 63.2 Ų | 63.2 | 67% | 0.67 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 144.6 | 166.1 | -68.3 | -179.6 | -178.4 | 175.1 | 0 | 108.6 | Y38 | K36-Y38 WeakPolarHBondContact O-CD1 3.19Š|
| 37 | P | 82 | Confident | 78.1 | Confident | 22 Ų | 22 | 62 Ų | 62 | 14% | 0.143 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -58 | 135.7 | 174 | -19.4 | 26.4 | 0 | 0 | 0 | 112.6 | F23 E24 E25 P288 P746 | F23-P37 HydrophobicContact CB-CB 3.91Å; E24-P37 WeakPolarHBondContact O-CA 3.3Å; E25-P37 HydrophobicContact CG-CB 4.08Å; E25-P37 HydrophobicContact CG-CG 3.86Å; E25-P37 WeakPolarHBondContact OE1-CG 3.48Å; P37-P288 WeakPolarHBondContact O-CD 3.35Å; P37-P288 WeakPolarHBondContact O-CG 3.47Å; P37-P746 VanDerWaalsContact CG-C 3.46Å; P37-P746 HydrophobicContact CG-CB 3.48Å; P37-P746 VanDerWaalsContact CG-CB 3.48Å; P37-P746 WeakPolarHBondContact CG-O 3.41Å |
| 38 | Y | 82.2 | Confident | 78.6 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 5% | 0.051 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -140.6 | 166.1 | 175.5 | 55 | -92.1 | 0 | 0 | 0 | 112.7 | F23 E24 D26 K36 A40 R285 I286 | F23-Y38 WeakPolarHBondContact CB-O 3.46Å; E24-Y38 HydrophobicContact CB-CD2 4.4Å; E24-Y38 HydrophobicContact CB-CE2 4.11Å; E24-Y38 HydrophobicContact CG-CE2 3.99Å; E24-Y38 PolarHBondContact N-O 2.92Å; E24-Y38 PolarHBondContact O-N 3.23Å; E24-Y38 WeakPolarHBondContact OE2-CE2 3.28Å; D26-Y38 PolarHBondContact OD2-OH 2.98Å; K36-Y38 WeakPolarHBondContact O-CD1 3.19Å; Y38-A40 PolarHBondContact O-N 3.22Å; Y38-R285 HydrophobicContact CD1-CB 4.06Å; Y38-R285 VanDerWaalsContact CD1-CD 3.49Å; Y38-R285 HydrophobicContact CD1-CG 3.73Å; Y38-R285 HydrophobicContact CD2-CB 4.35Å; Y38-R285 HydrophobicContact CD2-CG 4.15Å; Y38-R285 VanDerWaalsContact CE1-CD 3.48Å; Y38-R285 HydrophobicContact CE1-CG 3.86Å; Y38-R285 VanDerWaalsContact CE1-NE 3.28Å; Y38-R285 HydrophobicContact CE2-CG 4.26Å; Y38-R285 HydrophobicContact CG-CB 3.88Å; Y38-R285 HydrophobicContact CG-CG 3.88Å; Y38-I286 WeakPolarHBondContact CA-O 3.48Å; Y38-I286 VanDerWaalsContact CB-O 3.24Å; Y38-I286 WeakPolarHBondContact CB-O 3.33Å |
| 39 | V | 84 | Confident | 79.3 | Confident | 47 Ų | 47 | 63.8 Ų | 63.8 | 29% | 0.285 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -70.9 | 123.7 | 174.1 | -175.7 | 0 | 0 | 0 | 0 | 109 | F23 T41 I286 | F23-V39 HydrophobicContact CD1-CG2 4.4Å; F23-V39 HydrophobicContact CE1-CG2 4.33Å; V39-T41 PolarHBondContact O-N 2.74Å; V39-I286 HydrophobicContact CB-CB 4.11Å; V39-I286 HydrophobicContact CB-CG2 4.14Å; V39-I286 HydrophobicContact CG2-CB 4.47Å; V39-I286 HydrophobicContact CG2-CG2 4.04Å; V39-I286 PolarHBondContact N-O 3.1Å |
| 40 | A | 84.1 | Confident | 81 | Confident | 24 Ų | 24 | 55.1 Ų | 55.1 | 20% | 0.198 | 29% | 0.291 | C | S | . | . | trans | -62.4 | 120.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E24 Y38 T241 | E24-A40 HydrophobicContact CB-CB 4.07Å; E24-A40 VanDerWaalsContact OE2-CA 3.24Å; E24-A40 WeakPolarHBondContact OE2-CA 3.07Å; E24-A40 VanDerWaalsContact OE2-CB 3.27Å; E24-A40 WeakPolarHBondContact OE2-CB 3.33Å; Y38-A40 PolarHBondContact O-N 3.22Å; A40-T241 HydrophobicContact CB-CG2 3.86Å | ||
| 41 | T | 84.8 | Confident | 82.7 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | trans | -93.7 | 115.5 | 170.5 | 48.5 | 0 | 0 | 0 | 0 | 108.2 | V39 R237 W280 I286 | V39-T41 PolarHBondContact O-N 2.74Å; T41-R237 PolarHBondContact O-NH1 2.65Å; T41-R237 PolarHBondContact O-NH2 3.33Å; T41-W280 HydrophobicContact CG2-CZ2 4.4Å; T41-I286 HydrophobicContact CG2-CD1 3.82Å; T41-I286 HydrophobicContact CG2-CG1 4.44Å | ||
| 42 | L | 86.8 | Confident | 84.5 | Confident | 42 Ų | 42 | 56.8 Ų | 56.8 | 22% | 0.22 | 28% | 0.276 | C | S | . | . | trans | -107.2 | 142.2 | 180 | -59.7 | 179.3 | 0 | 0 | 0 | 110.5 | L47 R237 T241 F268 | L42-L47 HydrophobicContact CB-CD1 4.45Å; L42-L47 HydrophobicContact CD1-CD1 4.4Å; L42-L47 HydrophobicContact CD1-CD2 4.22Å; L42-L47 HydrophobicContact CD1-CG 4.5Å; L42-R237 HydrophobicContact CD2-CB 4.37Å; L42-T241 HydrophobicContact CD1-CG2 3.83Å; L42-T241 HydrophobicContact CG-CG2 4.35Å; L42-F268 HydrophobicContact CD1-CE1 4.42Å; L42-F268 HydrophobicContact CD1-CZ 4.43Å | ||
| 43 | S | 85.1 | Confident | 86 | Confident | 48 Ų | 48 | 50.3 Ų | 50.3 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | trans | -79 | 134 | 170.1 | 77.9 | 0 | 0 | 0 | 0 | 110.5 | H45 S46 L47 | S43-H45 PolarHBondContact O-N 2.68Å; S43-S46 PolarHBondContact O-N 2.79Å; S43-S46 PolarHBondContact O-OG 3.22Å; S43-S46 WeakPolarHBondContact OG-CB 3.36Å; S43-S46 PolarHBondContact OG-N 3.2Å; S43-S46 VanDerWaalsContact OG-N 3.09Å; S43-S46 PolarHBondContact OG-OG 3.37Å; S43-L47 PolarHBondContact O-N 3.41Å | ||
| 44 | L | 86.6 | Confident | 86.8 | Confident | 73 Ų | 73 | 43 Ų | 43 | 38% | 0.382 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56.2 | -34 | 174.4 | -171.7 | 105.1 | 0 | 0 | 0 | 111.5 | L47 F48 V274 | L44-L47 PolarHBondContact O-N 3.05Å; L44-F48 HydrophobicContact CD1-CE2 4.45Å; L44-F48 HydrophobicContact CD2-CD2 4.03Å; L44-F48 HydrophobicContact CD2-CE2 3.41Å; L44-F48 VanDerWaalsContact CD2-CE2 3.41Å; L44-F48 HydrophobicContact CD2-CZ 4.35Å; L44-F48 HydrophobicContact CG-CD2 4.11Å; L44-F48 HydrophobicContact CG-CE2 3.7Å; L44-F48 HydrophobicContact CG-CZ 4.49Å; L44-F48 WeakPolarHBondContact O-CD2 3.45Å; L44-F48 PolarHBondContact O-N 3.26Å; L44-V274 HydrophobicContact CD1-CG2 3.65Å |
| 45 | H | 88 | Confident | 87.4 | Confident | 112 Ų | 112 | 43.8 Ų | 43.8 | 52% | 0.519 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 176.1 | -168.4 | 59.8 | 0 | 0 | 0 | 111.9 | S43 L47 F48 E49 | S43-H45 PolarHBondContact O-N 2.68Å; H45-L47 VanDerWaalsContact C-N 3.29Å; H45-L47 PolarHBondContact O-N 3.41Å; H45-F48 PolarHBondContact O-N 3.36Å; H45-E49 IonicContact CD2-OE1 3.26Å; H45-E49 IonicContact CE1-OE1 2.66Å; H45-E49 IonicContact NE2-OE1 3.45Å; H45-E49 PolarHBondContact NE2-OE1 2.85Å; H45-E49 WeakPolarHBondContact O-CG 3.49Å; H45-E49 PolarHBondContact O-N 3.22Å |
| 46 | S | 89.7 | Confident | 87.7 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.6 | -32.7 | 178.4 | 61.2 | 0 | 0 | 0 | 0 | 113.5 | S43 E49 L50 S238 | S43-S46 PolarHBondContact O-N 2.79Å; S43-S46 PolarHBondContact O-OG 3.22Å; S43-S46 WeakPolarHBondContact OG-CB 3.36Å; S43-S46 PolarHBondContact OG-N 3.2Å; S43-S46 VanDerWaalsContact OG-N 3.09Å; S43-S46 PolarHBondContact OG-OG 3.37Å; S46-E49 PolarHBondContact O-N 3.34Å; S46-L50 VanDerWaalsContact O-CB 3.32Å; S46-L50 WeakPolarHBondContact O-CB 3.22Å; S46-L50 PolarHBondContact O-N 2.99Å; S46-S238 WeakPolarHBondContact CB-OG 3.32Å; S46-S238 PolarHBondContact OG-OG 3.44Å |
| 47 | L | 90 | Very high | 88 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.3 | -40.1 | 174.4 | -73.3 | 164.7 | 0 | 0 | 0 | 112.4 | L42 S43 L44 H45 L50 R51 L242 F268 L269 V272 | L42-L47 HydrophobicContact CB-CD1 4.45Å; L42-L47 HydrophobicContact CD1-CD1 4.4Å; L42-L47 HydrophobicContact CD1-CD2 4.22Å; L42-L47 HydrophobicContact CD1-CG 4.5Å; S43-L47 PolarHBondContact O-N 3.41Å; L44-L47 PolarHBondContact O-N 3.05Å; H45-L47 VanDerWaalsContact C-N 3.29Å; H45-L47 PolarHBondContact O-N 3.41Å; L47-L50 PolarHBondContact O-N 3.39Å; L47-R51 WeakPolarHBondContact O-CB 3.34Å; L47-R51 PolarHBondContact O-N 3.06Å; L47-L242 HydrophobicContact CD2-CD1 4.02Å; L47-L242 HydrophobicContact CD2-CG 4.47Å; L47-F268 HydrophobicContact CD1-CD1 4.45Å; L47-F268 HydrophobicContact CD1-CE1 3.99Å; L47-F268 HydrophobicContact CD2-CD1 4.25Å; L47-F268 HydrophobicContact CD2-CE1 4Å; L47-L269 HydrophobicContact CB-CD2 3.8Å; L47-L269 HydrophobicContact CD1-CD2 3.85Å; L47-L269 HydrophobicContact CG-CD2 4.38Å; L47-V272 HydrophobicContact CD1-CG2 4.39Å |
| 48 | F | 91.4 | Very high | 88.4 | Confident | 97 Ų | 97 | 42.3 Ų | 42.3 | 43% | 0.425 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.6 | -35.3 | 174 | -74.1 | -51.7 | 0 | 0 | 0 | 112.9 | L44 H45 R51 S52 L269 | L44-F48 HydrophobicContact CD1-CE2 4.45Å; L44-F48 HydrophobicContact CD2-CD2 4.03Å; L44-F48 HydrophobicContact CD2-CE2 3.41Å; L44-F48 VanDerWaalsContact CD2-CE2 3.41Å; L44-F48 HydrophobicContact CD2-CZ 4.35Å; L44-F48 HydrophobicContact CG-CD2 4.11Å; L44-F48 HydrophobicContact CG-CE2 3.7Å; L44-F48 HydrophobicContact CG-CZ 4.49Å; L44-F48 WeakPolarHBondContact O-CD2 3.45Å; L44-F48 PolarHBondContact O-N 3.26Å; H45-F48 PolarHBondContact O-N 3.36Å; F48-R51 PolarHBondContact O-N 3.05Å; F48-S52 WeakPolarHBondContact O-CB 3.27Å; F48-S52 PolarHBondContact O-N 3.4Å; F48-S52 PolarHBondContact O-OG 3.28Å; F48-L269 HydrophobicContact CD1-CD1 4.26Å; F48-L269 HydrophobicContact CE1-CD1 4.02Å |
| 49 | E | 91.5 | Very high | 88.8 | Confident | 39 Ų | 39 | 42.7 Ų | 42.7 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.2 | -41.8 | 172.8 | -71.2 | -168.8 | 145.6 | 0 | 0 | 111.2 | H45 S46 R51 S52 C53 I235 | H45-E49 IonicContact CD2-OE1 3.26Å; H45-E49 IonicContact CE1-OE1 2.66Å; H45-E49 IonicContact NE2-OE1 3.45Å; H45-E49 PolarHBondContact NE2-OE1 2.85Å; H45-E49 WeakPolarHBondContact O-CG 3.49Å; H45-E49 PolarHBondContact O-N 3.22Å; S46-E49 PolarHBondContact O-N 3.34Å; E49-R51 PolarHBondContact O-N 3.5Å; E49-S52 CarbonylContact O-C 3.59Å; E49-S52 WeakPolarHBondContact O-CB 3.31Å; E49-S52 PolarHBondContact O-N 3.11Å; E49-S52 VanDerWaalsContact O-N 3.17Å; E49-C53 WeakPolarHBondContact O-CB 3.4Å; E49-C53 PolarHBondContact O-N 3Å; E49-C53 PolarHBondContact O-SG 3.4Å; E49-I235 HydrophobicContact CB-CD1 3.8Å; E49-I235 HydrophobicContact CB-CG1 3.95Å |
| 50 | L | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 173 | 176.9 | 62 | 0 | 0 | 0 | 111.5 | S46 L47 S52 C53 I54 F220 I235 I239 L242 I265 | S46-L50 VanDerWaalsContact O-CB 3.32Å; S46-L50 WeakPolarHBondContact O-CB 3.22Å; S46-L50 PolarHBondContact O-N 2.99Å; L47-L50 PolarHBondContact O-N 3.39Å; L50-S52 VanDerWaalsContact C-N 3.28Å; L50-S52 PolarHBondContact O-N 3.5Å; L50-C53 WeakPolarHBondContact O-CA 3.4Å; L50-C53 VanDerWaalsContact O-CB 3.3Å; L50-C53 WeakPolarHBondContact O-CB 3.39Å; L50-C53 PolarHBondContact O-N 3.14Å; L50-I54 HydrophobicContact CD1-CG1 4.45Å; L50-I54 PolarHBondContact O-N 3.06Å; L50-F220 HydrophobicContact CD1-CE2 4.01Å; L50-F220 HydrophobicContact CD1-CZ 3.73Å; L50-I235 HydrophobicContact CB-CG2 4.1Å; L50-I235 HydrophobicContact CD1-CG2 3.9Å; L50-I239 HydrophobicContact CD1-CB 3.87Å; L50-I239 HydrophobicContact CD1-CD1 4.38Å; L50-I239 HydrophobicContact CD1-CG1 4.41Å; L50-I239 HydrophobicContact CD2-CB 3.81Å; L50-I239 HydrophobicContact CD2-CD1 4.13Å; L50-L242 HydrophobicContact CD2-CD1 3.37Å; L50-I265 HydrophobicContact CD2-CD1 4.33Å; L50-I265 HydrophobicContact CG-CD1 4.18Å |
| 51 | R | 93.3 | Very high | 89.5 | Confident | 75 Ų | 75 | 41.7 Ų | 41.7 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -54.9 | -46.5 | 174 | -173.2 | -175 | -175.4 | -88 | -1.6 | 111 | L47 F48 E49 C53 I54 I55 I262 I265 D266 | L47-R51 WeakPolarHBondContact O-CB 3.34Å; L47-R51 PolarHBondContact O-N 3.06Å; F48-R51 PolarHBondContact O-N 3.05Å; E49-R51 PolarHBondContact O-N 3.5Å; R51-C53 VanDerWaalsContact C-N 3.31Å; R51-C53 PolarHBondContact O-N 3.48Å; R51-I54 PolarHBondContact O-N 3.42Å; R51-I55 HydrophobicContact CG-CD1 4.04Å; R51-I55 WeakPolarHBondContact O-CD1 3.42Å; R51-I55 VanDerWaalsContact O-CG1 3.23Å; R51-I55 WeakPolarHBondContact O-CG1 3.38Å; R51-I55 PolarHBondContact O-N 3.21Å; R51-I262 HydrophobicContact CG-CG2 4.44Å; R51-I265 HydrophobicContact CB-CG2 4.2Å; R51-I265 HydrophobicContact CG-CG2 4.45Å; R51-D266 WeakPolarHBondContact CD-OD1 3.31Å; R51-D266 IonicContact CZ-OD1 2.62Å; R51-D266 IonicContact CZ-OD2 2.74Å; R51-D266 IonicContact NE-OD1 2.71Å; R51-D266 PolarHBondContact NE-OD1 3.25Å; R51-D266 IonicContact NE-OD2 2.89Å; R51-D266 IonicContact NH2-OD1 2.67Å; R51-D266 IonicContact NH2-OD2 2.88Å; R51-D266 PolarHBondContact NH2-OD2 2.99Å |
| 52 | S | 91.5 | Very high | 89.7 | Confident | 57 Ų | 57 | 44.1 Ų | 44.1 | 40% | 0.399 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.2 | -35.1 | 176.7 | -57.8 | 0 | 0 | 0 | 0 | 112.6 | F48 E49 L50 I55 N56 | F48-S52 WeakPolarHBondContact O-CB 3.27Å; F48-S52 PolarHBondContact O-N 3.4Å; F48-S52 PolarHBondContact O-OG 3.28Å; E49-S52 CarbonylContact O-C 3.59Å; E49-S52 WeakPolarHBondContact O-CB 3.31Å; E49-S52 PolarHBondContact O-N 3.11Å; E49-S52 VanDerWaalsContact O-N 3.17Å; L50-S52 VanDerWaalsContact C-N 3.28Å; L50-S52 PolarHBondContact O-N 3.5Å; S52-I55 PolarHBondContact O-N 3.4Å; S52-N56 WeakPolarHBondContact O-CB 3.38Å; S52-N56 PolarHBondContact O-N 3.37Å; S52-N56 PolarHBondContact O-ND2 2.84Å |
| 53 | C | 90.4 | Very high | 89.7 | Confident | 22 Ų | 22 | 44.1 Ų | 44.1 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 175.3 | -72.6 | 0 | 0 | 0 | 0 | 111.8 | E49 L50 R51 G57 V195 | E49-C53 WeakPolarHBondContact O-CB 3.4Å; E49-C53 PolarHBondContact O-N 3Å; E49-C53 PolarHBondContact O-SG 3.4Å; L50-C53 WeakPolarHBondContact O-CA 3.4Å; L50-C53 VanDerWaalsContact O-CB 3.3Å; L50-C53 WeakPolarHBondContact O-CB 3.39Å; L50-C53 PolarHBondContact O-N 3.14Å; R51-C53 VanDerWaalsContact C-N 3.31Å; R51-C53 PolarHBondContact O-N 3.48Å; C53-G57 WeakPolarHBondContact O-CA 3.28Å; C53-G57 PolarHBondContact O-N 3.32Å; C53-V195 HydrophobicContact CB-CG1 3.84Å; C53-V195 HydrophobicContact CB-CG2 4.29Å |
| 54 | I | 91.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.9 | -35.5 | 175.9 | -62.1 | -168.6 | 0 | 0 | 0 | 111.5 | L50 R51 V59 L261 I262 I265 | L50-I54 HydrophobicContact CD1-CG1 4.45Å; L50-I54 PolarHBondContact O-N 3.06Å; R51-I54 PolarHBondContact O-N 3.42Å; I54-V59 HydrophobicContact CG2-CG2 4.16Å; I54-L261 HydrophobicContact CG2-CB 4.29Å; I54-I262 HydrophobicContact CG2-CG1 4.07Å; I54-I265 HydrophobicContact CD1-CD1 3.51Å; I54-I265 HydrophobicContact CG1-CD1 4.35Å |
| 55 | I | 90.1 | Very high | 89.8 | Confident | 56 Ų | 56 | 48 Ų | 48 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.3 | -50.3 | 176.9 | -70.2 | 163.9 | 0 | 0 | 0 | 111.1 | R51 S52 R258 I262 | R51-I55 HydrophobicContact CG-CD1 4.04Å; R51-I55 WeakPolarHBondContact O-CD1 3.42Å; R51-I55 VanDerWaalsContact O-CG1 3.23Å; R51-I55 WeakPolarHBondContact O-CG1 3.38Å; R51-I55 PolarHBondContact O-N 3.21Å; S52-I55 PolarHBondContact O-N 3.4Å; I55-R258 PolarHBondContact O-NH1 3.18Å; I55-I262 HydrophobicContact CB-CD1 4.5Å; I55-I262 HydrophobicContact CD1-CD1 4.49Å; I55-I262 HydrophobicContact CG1-CD1 3.48Å; I55-I262 VanDerWaalsContact CG1-CD1 3.48Å; I55-I262 HydrophobicContact CG1-CG1 4.03Å |
| 56 | N | 86.8 | Confident | 89.6 | Confident | 138 Ų | 138 | 48.4 Ų | 48.4 | 74% | 0.738 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -92.5 | -15.4 | -172.8 | -65.5 | -31.5 | 0 | 0 | 0 | 113.8 | S52 | S52-N56 WeakPolarHBondContact O-CB 3.38Å; S52-N56 PolarHBondContact O-N 3.37Å; S52-N56 PolarHBondContact O-ND2 2.84Å |
| 57 | G | 85.7 | Confident | 89.4 | Confident | 7 Ų | 7 | 49.9 Ų | 49.9 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -84.3 | 176.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | C53 R258 | C53-G57 WeakPolarHBondContact O-CA 3.28Å; C53-G57 PolarHBondContact O-N 3.32Å; G57-R258 PolarHBondContact O-NH1 3.01Å |
| 58 | T | 89.4 | Confident | 89.3 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 122.9 | 174.8 | -72.6 | 0 | 0 | 0 | 0 | 109.5 | L60 H78 Q79 V195 A196 F197 | T58-L60 HydrophobicContact CG2-CD1 4.05Å; T58-L60 HydrophobicContact CG2-CD2 4.27Å; T58-L60 HydrophobicContact CG2-CG 3.8Å; T58-H78 HydrophobicContact CG2-CB 4.05Å; T58-H78 WeakPolarHBondContact CG2-ND1 3.39Å; T58-Q79 PolarHBondContact OG1-OE1 3.04Å; T58-V195 PolarHBondContact N-O 2.77Å; T58-A196 CarbonylContact O-C 3.49Å; T58-A196 VanDerWaalsContact O-CA 3.25Å; T58-A196 WeakPolarHBondContact O-CA 3.38Å; T58-F197 PolarHBondContact O-N 2.84Å |
| 59 | V | 91.5 | Very high | 89.1 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 12% | 0.121 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 114.8 | 177.3 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | I54 L61 F197 R258 L261 | I54-V59 HydrophobicContact CG2-CG2 4.16Å; V59-L61 HydrophobicContact CG1-CD1 4.4Å; V59-L61 HydrophobicContact CG1-CD2 4.18Å; V59-L61 HydrophobicContact CG1-CG 4.04Å; V59-F197 WeakPolarHBondContact CA-O 3.38Å; V59-F197 HydrophobicContact CG1-CD1 4.32Å; V59-F197 HydrophobicContact CG2-CB 4.49Å; V59-R258 HydrophobicContact CB-CB 4.33Å; V59-R258 HydrophobicContact CG1-CB 4.44Å; V59-R258 HydrophobicContact CG2-CB 4.1Å; V59-L261 HydrophobicContact CG1-CD1 3.93Å |
| 60 | L | 91.2 | Very high | 88.9 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 110.6 | -177.9 | -64.6 | 173 | 0 | 0 | 0 | 109.2 | T58 M63 V75 H78 F197 V198 R199 | T58-L60 HydrophobicContact CG2-CD1 4.05Å; T58-L60 HydrophobicContact CG2-CD2 4.27Å; T58-L60 HydrophobicContact CG2-CG 3.8Å; L60-M63 HydrophobicContact CB-CG 3.75Å; L60-M63 HydrophobicContact CB-SD 4.11Å; L60-M63 HydrophobicContact CD2-SD 4.43Å; L60-V75 HydrophobicContact CD1-CG2 3.95Å; L60-H78 HydrophobicContact CD2-CB 4.26Å; L60-F197 PolarHBondContact N-O 2.75Å; L60-V198 HydrophobicContact CB-CG1 4.44Å; L60-V198 HydrophobicContact CB-CG2 4.39Å; L60-V198 HydrophobicContact CD1-CG2 4.38Å; L60-V198 CarbonylContact O-C 3.56Å; L60-V198 VanDerWaalsContact O-CA 3.31Å; L60-V198 WeakPolarHBondContact O-CA 3.45Å; L60-R199 PolarHBondContact O-N 2.87Å |
| 61 | L | 91 | Very high | 88.7 | Confident | 34 Ų | 34 | 53.6 Ų | 53.6 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 141 | -177.7 | -59.8 | 175.3 | 0 | 0 | 0 | 111 | V59 M63 F197 R199 A255 K256 | V59-L61 HydrophobicContact CG1-CD1 4.4Å; V59-L61 HydrophobicContact CG1-CD2 4.18Å; V59-L61 HydrophobicContact CG1-CG 4.04Å; L61-M63 PolarHBondContact O-N 3.44Å; L61-F197 HydrophobicContact CD2-CD1 4.36Å; L61-F197 HydrophobicContact CD2-CE1 4.15Å; L61-R199 HydrophobicContact CD2-CB 3.85Å; L61-A255 HydrophobicContact CD1-CB 4.41Å; L61-K256 WeakPolarHBondContact CD1-O 3.24Å |
| 62 | D | 88.9 | Confident | 88.4 | Confident | 81 Ų | 81 | 50.1 Ų | 50.1 | 43% | 0.433 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 58.7 | 40.8 | 178.1 | -58 | -38.4 | 0 | 0 | 0 | 115.5 | R199 | D62-R199 WeakPolarHBondContact CA-O 3.35Å; D62-R199 PolarHBondContact N-O 3.05Å; D62-R199 IonicContact OD1-CZ 2.74Å; D62-R199 VanDerWaalsContact OD1-CZ 3.28Å; D62-R199 IonicContact OD1-NE 3.45Å; D62-R199 PolarHBondContact OD1-NE 3.44Å; D62-R199 IonicContact OD1-NH2 3.19Å; D62-R199 PolarHBondContact OD1-NH2 3.42Å; D62-R199 IonicContact OD2-CZ 3.21Å; D62-R199 IonicContact OD2-NE 2.61Å; D62-R199 IonicContact OD2-NH2 3.18Å; D62-R199 PolarHBondContact OD2-NH2 3.47Å |
| 63 | M | 87.1 | Confident | 88.2 | Confident | 41 Ų | 41 | 51 Ų | 51 | 20% | 0.202 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 141.5 | 177.6 | -63.2 | -55.2 | -62.2 | 0 | 0 | 112.1 | L60 L61 M74 V198 R199 L200 S201 | L60-M63 HydrophobicContact CB-CG 3.75Å; L60-M63 HydrophobicContact CB-SD 4.11Å; L60-M63 HydrophobicContact CD2-SD 4.43Å; L61-M63 PolarHBondContact O-N 3.44Å; M63-M74 HydrophobicContact CB-CE 4.3Å; M63-M74 HydrophobicContact CE-CB 4.29Å; M63-M74 HydrophobicContact CE-CE 3.61Å; M63-M74 HydrophobicContact CE-CG 4.24Å; M63-M74 HydrophobicContact CE-SD 3.15Å; M63-M74 WeakPolarHBondContact CE-SD 3.47Å; M63-V198 HydrophobicContact CB-CG1 4.44Å; M63-V198 HydrophobicContact CG-CG1 4.22Å; M63-R199 PolarHBondContact N-O 3.3Å; M63-L200 HydrophobicContact CB-CD2 4.22Å; M63-L200 CarbonylContact O-C 3.53Å; M63-L200 WeakPolarHBondContact O-CA 3.34Å; M63-S201 PolarHBondContact O-N 3.44Å |
| 64 | R | 87.4 | Confident | 88.1 | Confident | 203 Ų | 203 | 52.1 Ų | 52.1 | 77% | 0.766 | 26% | 0.257 | S | S | * | . | trans | -106.2 | 99.3 | 171.5 | -67.3 | -177.1 | -178.7 | -175.5 | 1.7 | 109 | ||||
| 65 | A | 86.2 | Confident | 87.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -136.9 | 144.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | E70 I71 M74 L200 V204 | A65-E70 WeakPolarHBondContact CA-OE2 3.29Å; A65-E70 HydrophobicContact CB-CB 3.94Å; A65-I71 HydrophobicContact CB-CD1 4.37Å; A65-I71 HydrophobicContact CB-CG1 3.54Å; A65-M74 HydrophobicContact CB-CE 3.56Å; A65-L200 HydrophobicContact CB-CD2 4.28Å; A65-V204 WeakPolarHBondContact O-CG2 3.42Å | ||
| 66 | N | 84.3 | Confident | 87.7 | Confident | 121 Ų | 121 | 49.8 Ų | 49.8 | 65% | 0.647 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -107.3 | -12.9 | -177.1 | -63.2 | -36.8 | 0 | 0 | 0 | 112.9 | E70 | N66-E70 PolarHBondContact N-OE2 3.42Š|
| 67 | S | 86.7 | Confident | 87.7 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 22% | 0.217 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -137 | 158.5 | 179.8 | 72.9 | 0 | 0 | 0 | 0 | 112 | E69 E70 I71 | S67-E69 PolarHBondContact O-N 2.77Å; S67-E70 PolarHBondContact O-N 3.34Å; S67-E70 WeakPolarHBondContact OG-CG 3.22Å; S67-E70 PolarHBondContact OG-N 2.7Å; S67-I71 WeakPolarHBondContact O-CG1 3.19Å; S67-I71 PolarHBondContact O-N 2.88Å |
| 68 | I | 86.1 | Confident | 87.5 | Confident | 32 Ų | 32 | 48.9 Ų | 48.9 | 16% | 0.164 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.7 | -26.1 | 173.6 | -173.8 | 57.2 | 0 | 0 | 0 | 111.7 | I71 A72 L98 L209 L219 | I68-I71 HydrophobicContact CD1-CB 4.43Å; I68-I71 PolarHBondContact O-N 2.83Å; I68-A72 VanDerWaalsContact O-CB 3.29Å; I68-A72 WeakPolarHBondContact O-CB 3.48Å; I68-A72 PolarHBondContact O-N 3.07Å; I68-L98 HydrophobicContact CG2-CD2 3.83Å; I68-L209 HydrophobicContact CB-CD1 4.06Å; I68-L209 HydrophobicContact CD1-CD1 3.9Å; I68-L209 HydrophobicContact CG1-CD1 3.96Å; I68-L219 HydrophobicContact CD1-CD2 4Å |
| 69 | E | 87.4 | Confident | 86.9 | Confident | 104 Ų | 104 | 49.9 Ų | 49.9 | 49% | 0.486 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.3 | -47.4 | 176.2 | -64.1 | 161 | 179.3 | 0 | 0 | 111.4 | S67 I71 A72 E73 L98 | S67-E69 PolarHBondContact O-N 2.77Å; E69-I71 VanDerWaalsContact C-N 3.34Å; E69-A72 PolarHBondContact O-N 2.82Å; E69-E73 PolarHBondContact O-N 2.98Å; E69-L98 HydrophobicContact CB-CD2 4.18Å; E69-L98 HydrophobicContact CG-CD1 3.98Å; E69-L98 HydrophobicContact CG-CD2 3.38Å; E69-L98 HydrophobicContact CG-CG 4.33Å |
| 70 | E | 88.5 | Confident | 86 | Confident | 79 Ų | 79 | 52.5 Ų | 52.5 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 175.2 | -72.5 | 174.4 | -177.4 | 0 | 0 | 110.9 | A65 N66 S67 E73 M74 | A65-E70 WeakPolarHBondContact CA-OE2 3.29Å; A65-E70 HydrophobicContact CB-CB 3.94Å; N66-E70 PolarHBondContact N-OE2 3.42Å; S67-E70 PolarHBondContact O-N 3.34Å; S67-E70 WeakPolarHBondContact OG-CG 3.22Å; S67-E70 PolarHBondContact OG-N 2.7Å; E70-E73 PolarHBondContact O-N 3.13Å; E70-M74 VanDerWaalsContact O-CG 3.26Å; E70-M74 WeakPolarHBondContact O-CG 3.38Å; E70-M74 PolarHBondContact O-N 3.39Å |
| 71 | I | 88 | Confident | 84.9 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 177.2 | -61.7 | 167.8 | 0 | 0 | 0 | 110.7 | A65 S67 I68 E69 E73 M74 V75 V198 L200 L206 L219 | A65-I71 HydrophobicContact CB-CD1 4.37Å; A65-I71 HydrophobicContact CB-CG1 3.54Å; S67-I71 WeakPolarHBondContact O-CG1 3.19Å; S67-I71 PolarHBondContact O-N 2.88Å; I68-I71 HydrophobicContact CD1-CB 4.43Å; I68-I71 PolarHBondContact O-N 2.83Å; E69-I71 VanDerWaalsContact C-N 3.34Å; I71-E73 PolarHBondContact O-N 3.25Å; I71-M74 PolarHBondContact O-N 3.47Å; I71-V75 HydrophobicContact CG2-CG2 4.35Å; I71-V75 WeakPolarHBondContact O-CB 3.43Å; I71-V75 VanDerWaalsContact O-CG2 3.27Å; I71-V75 WeakPolarHBondContact O-CG2 3.45Å; I71-V75 PolarHBondContact O-N 2.78Å; I71-V198 HydrophobicContact CG2-CG1 4.38Å; I71-V198 HydrophobicContact CG2-CG2 4.48Å; I71-L200 HydrophobicContact CD1-CD1 4.1Å; I71-L200 HydrophobicContact CD1-CD2 3.98Å; I71-L200 HydrophobicContact CG1-CD2 4.2Å; I71-L206 HydrophobicContact CD1-CD1 3.9Å; I71-L206 HydrophobicContact CD1-CD2 4.22Å; I71-L219 HydrophobicContact CG2-CD2 3.7Å |
| 72 | A | 87.4 | Confident | 83.7 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | I68 E69 L76 L97 | I68-A72 VanDerWaalsContact O-CB 3.29Å; I68-A72 WeakPolarHBondContact O-CB 3.48Å; I68-A72 PolarHBondContact O-N 3.07Å; E69-A72 PolarHBondContact O-N 2.82Å; A72-L76 WeakPolarHBondContact O-CB 3.34Å; A72-L76 WeakPolarHBondContact O-CD1 3.31Å; A72-L76 WeakPolarHBondContact O-CG 3.48Å; A72-L76 PolarHBondContact O-N 3.46Å; A72-L97 HydrophobicContact CB-CB 4.28Å; A72-L97 HydrophobicContact CB-CD1 3.86Å |
| 73 | E | 87.9 | Confident | 82.6 | Confident | 76 Ų | 76 | 62.6 Ų | 62.6 | 36% | 0.355 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.9 | -50.8 | 174.5 | -80.5 | -176.8 | -179.8 | 0 | 0 | 112.2 | E69 E70 I71 V75 L76 D77 R94 | E69-E73 PolarHBondContact O-N 2.98Å; E70-E73 PolarHBondContact O-N 3.13Å; I71-E73 PolarHBondContact O-N 3.25Å; E73-V75 VanDerWaalsContact C-N 3.33Å; E73-V75 PolarHBondContact O-N 3.45Å; E73-L76 PolarHBondContact O-N 3.17Å; E73-L76 VanDerWaalsContact O-N 3.14Å; E73-D77 PolarHBondContact O-N 3.37Å; E73-R94 VanDerWaalsContact CD-NH1 3.3Å; E73-R94 IonicContact OE1-CZ 2.88Å; E73-R94 IonicContact OE1-NH1 2.74Å; E73-R94 PolarHBondContact OE1-NH1 2.78Å; E73-R94 IonicContact OE1-NH2 2.69Å; E73-R94 PolarHBondContact OE1-NH2 3.31Å |
| 74 | M | 86.9 | Confident | 81.6 | Confident | 46 Ų | 46 | 66 Ų | 66 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.6 | -37.5 | -177.9 | -67.4 | -176.9 | -52.8 | 0 | 0 | 112.6 | M63 A65 E70 I71 H78 | M63-M74 HydrophobicContact CB-CE 4.3Å; M63-M74 HydrophobicContact CE-CB 4.29Å; M63-M74 HydrophobicContact CE-CE 3.61Å; M63-M74 HydrophobicContact CE-CG 4.24Å; M63-M74 HydrophobicContact CE-SD 3.15Å; M63-M74 WeakPolarHBondContact CE-SD 3.47Å; A65-M74 HydrophobicContact CB-CE 3.56Å; E70-M74 VanDerWaalsContact O-CG 3.26Å; E70-M74 WeakPolarHBondContact O-CG 3.38Å; E70-M74 PolarHBondContact O-N 3.39Å; I71-M74 PolarHBondContact O-N 3.47Å; M74-H78 WeakPolarHBondContact O-CB 3.08Å; M74-H78 PolarHBondContact O-N 3.42Å; M74-H78 VanDerWaalsContact O-N 3.11Å |
| 75 | V | 87.5 | Confident | 80.6 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 173.9 | 168.6 | 0 | 0 | 0 | 0 | 110.5 | L60 I71 E73 Q79 A196 V198 | L60-V75 HydrophobicContact CD1-CG2 3.95Å; I71-V75 HydrophobicContact CG2-CG2 4.35Å; I71-V75 WeakPolarHBondContact O-CB 3.43Å; I71-V75 VanDerWaalsContact O-CG2 3.27Å; I71-V75 WeakPolarHBondContact O-CG2 3.45Å; I71-V75 PolarHBondContact O-N 2.78Å; E73-V75 VanDerWaalsContact C-N 3.33Å; E73-V75 PolarHBondContact O-N 3.45Å; V75-Q79 WeakPolarHBondContact O-CB 3.22Å; V75-Q79 PolarHBondContact O-N 3.25Å; V75-A196 HydrophobicContact CB-CB 4.44Å; V75-A196 HydrophobicContact CG1-CB 3.51Å; V75-A196 HydrophobicContact CG2-CB 4Å; V75-V198 HydrophobicContact CG2-CG2 3.77Å |
| 76 | L | 86.1 | Confident | 79.9 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.7 | -41.4 | 180 | -70.2 | 170 | 0 | 0 | 0 | 112.5 | A72 E73 H78 Q79 E80 R90 V93 R94 | A72-L76 WeakPolarHBondContact O-CB 3.34Å; A72-L76 WeakPolarHBondContact O-CD1 3.31Å; A72-L76 WeakPolarHBondContact O-CG 3.48Å; A72-L76 PolarHBondContact O-N 3.46Å; E73-L76 PolarHBondContact O-N 3.17Å; E73-L76 VanDerWaalsContact O-N 3.14Å; L76-H78 VanDerWaalsContact C-N 3.34Å; L76-H78 PolarHBondContact O-N 2.73Å; L76-Q79 PolarHBondContact O-N 3.33Å; L76-E80 PolarHBondContact O-N 2.81Å; L76-R90 HydrophobicContact CB-CG 4.33Å; L76-R90 HydrophobicContact CD1-CG 4.1Å; L76-R90 HydrophobicContact CD2-CG 4.39Å; L76-V93 HydrophobicContact CD2-CB 4.16Å; L76-V93 HydrophobicContact CD2-CG1 3.85Å; L76-R94 HydrophobicContact CD1-CB 3.81Å; L76-R94 HydrophobicContact CD1-CG 4.41Å |
| 77 | D | 85.8 | Confident | 79.4 | Confident | 75 Ų | 75 | 59.8 Ų | 59.8 | 40% | 0.401 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 177 | -75.4 | -27.5 | 0 | 0 | 0 | 111.6 | E73 E80 R90 | E73-D77 PolarHBondContact O-N 3.37Å; D77-E80 PolarHBondContact O-N 3.48Å; D77-R90 IonicContact OD1-CZ 2.72Å; D77-R90 IonicContact OD1-NH1 3.2Å; D77-R90 PolarHBondContact OD1-NH1 2.74Å; D77-R90 IonicContact OD1-NH2 2.64Å; D77-R90 PolarHBondContact OD1-NH2 3.17Å |
| 78 | H | 81.9 | Confident | 79 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.7 | -33.9 | 178.5 | -164.4 | -81.4 | 0 | 0 | 0 | 111.8 | T58 L60 M74 L76 E80 L81 Y82 | T58-H78 HydrophobicContact CG2-CB 4.05Å; T58-H78 WeakPolarHBondContact CG2-ND1 3.39Å; L60-H78 HydrophobicContact CD2-CB 4.26Å; M74-H78 WeakPolarHBondContact O-CB 3.08Å; M74-H78 PolarHBondContact O-N 3.42Å; M74-H78 VanDerWaalsContact O-N 3.11Å; L76-H78 VanDerWaalsContact C-N 3.34Å; L76-H78 PolarHBondContact O-N 2.73Å; H78-E80 VanDerWaalsContact C-N 3.29Å; H78-E80 PolarHBondContact O-N 2.79Å; H78-L81 PolarHBondContact O-N 3.06Å; H78-Y82 AromaticContact CE1-CD2 3.86Å; H78-Y82 AromaticContact CE1-CE2 3.22Å; H78-Y82 WeakPolarHBondContact CE1-CE2 3.34Å; H78-Y82 AromaticContact ND1-CD2 3.92Å; H78-Y82 AromaticContact ND1-CE2 3.73Å; H78-Y82 AromaticContact NE2-CE2 3.81Å; H78-Y82 WeakPolarHBondContact O-CD2 3.35Å |
| 79 | Q | 78.3 | Confident | 78.7 | Confident | 25 Ų | 25 | 64 Ų | 64 | 12% | 0.117 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 174.9 | -168.2 | 71.2 | 2.9 | 0 | 0 | 111.4 | T58 V75 L76 L81 Y82 S83 L85 | T58-Q79 PolarHBondContact OG1-OE1 3.04Å; V75-Q79 WeakPolarHBondContact O-CB 3.22Å; V75-Q79 PolarHBondContact O-N 3.25Å; L76-Q79 PolarHBondContact O-N 3.33Å; Q79-L81 VanDerWaalsContact C-N 3.29Å; Q79-L81 PolarHBondContact O-N 3.35Å; Q79-Y82 PolarHBondContact O-N 2.96Å; Q79-S83 CarbonylContact O-C 3.53Å; Q79-S83 PolarHBondContact O-N 2.75Å; Q79-L85 HydrophobicContact CB-CD1 4.44Å; Q79-L85 HydrophobicContact CG-CD1 3.49Å; Q79-L85 VanDerWaalsContact CG-CD1 3.49Å |
| 80 | E | 71.4 | Confident | 78.4 | Confident | 75 Ų | 75 | 61.7 Ų | 61.7 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.5 | -31 | -179.3 | -162.7 | 170.9 | 165.6 | 0 | 0 | 113.3 | L76 D77 H78 Y82 R90 | L76-E80 PolarHBondContact O-N 2.81Å; D77-E80 PolarHBondContact O-N 3.48Å; H78-E80 VanDerWaalsContact C-N 3.29Å; H78-E80 PolarHBondContact O-N 2.79Å; E80-Y82 VanDerWaalsContact C-N 3.32Å; E80-Y82 PolarHBondContact O-N 2.93Å; E80-R90 IonicContact OE2-CZ 3.12Å; E80-R90 IonicContact OE2-NH1 3.74Å; E80-R90 PolarHBondContact OE2-NH1 2.82Å |
| 81 | L | 67.5 | Low | 78.2 | Confident | 142 Ų | 142 | 64.4 Ų | 64.4 | 74% | 0.743 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.2 | -34 | 175 | -104.1 | 118.3 | 0 | 0 | 0 | 113.5 | H78 Q79 | H78-L81 PolarHBondContact O-N 3.06Å; Q79-L81 VanDerWaalsContact C-N 3.29Å; Q79-L81 PolarHBondContact O-N 3.35Å |
| 82 | Y | 65.8 | Low | 78 | Confident | 163 Ų | 163 | 68 Ų | 68 | 64% | 0.639 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -103.7 | -29.6 | -175.6 | -68.7 | -90.2 | 0 | 0 | 0 | 112.6 | H78 Q79 E80 | H78-Y82 AromaticContact CE1-CD2 3.86Å; H78-Y82 AromaticContact CE1-CE2 3.22Å; H78-Y82 WeakPolarHBondContact CE1-CE2 3.34Å; H78-Y82 AromaticContact ND1-CD2 3.92Å; H78-Y82 AromaticContact ND1-CE2 3.73Å; H78-Y82 AromaticContact NE2-CE2 3.81Å; H78-Y82 WeakPolarHBondContact O-CD2 3.35Å; Q79-Y82 PolarHBondContact O-N 2.96Å; E80-Y82 VanDerWaalsContact C-N 3.32Å; E80-Y82 PolarHBondContact O-N 2.93Å |
| 83 | S | 66.4 | Low | 77.8 | Confident | 38 Ų | 38 | 68 Ų | 68 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -148.4 | 111.2 | 174.7 | -147.5 | 0 | 0 | 0 | 0 | 110 | Q79 L85 | Q79-S83 CarbonylContact O-C 3.53Å; Q79-S83 PolarHBondContact O-N 2.75Å; S83-L85 WeakPolarHBondContact O-CD1 3.44Å; S83-L85 PolarHBondContact O-N 3.32Å |
| 84 | P | 65.3 | Low | 77.7 | Confident | 112 Ų | 112 | 68 Ų | 68 | 73% | 0.727 | 34% | 0.344 | S | S | * | . | trans | -66.7 | 110.1 | 179.2 | 25.3 | -32.1 | 0 | 0 | 0 | 109.8 | ||||
| 85 | L | 66.6 | Low | 77.6 | Confident | 33 Ų | 33 | 71.7 Ų | 71.7 | 17% | 0.173 | 36% | 0.361 | C | S | . | . | trans | -80.2 | 129.6 | 162.3 | -80.3 | 86.2 | 0 | 0 | 0 | 106.9 | Q79 S83 V93 L190 V194 | Q79-L85 HydrophobicContact CB-CD1 4.44Å; Q79-L85 HydrophobicContact CG-CD1 3.49Å; Q79-L85 VanDerWaalsContact CG-CD1 3.49Å; S83-L85 WeakPolarHBondContact O-CD1 3.44Å; S83-L85 PolarHBondContact O-N 3.32Å; L85-V93 HydrophobicContact CD2-CG2 4.46Å; L85-L190 HydrophobicContact CD2-CD2 4.4Å; L85-V194 HydrophobicContact CD2-CG2 4.17Å | ||
| 86 | G | 72.4 | Confident | 77.5 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 42% | 0.423 | 36% | 0.362 | S | S | . | . | trans | -57.3 | 147.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D88 L89 R90 | G86-D88 PolarHBondContact O-N 2.81Å; G86-L89 WeakPolarHBondContact O-CB 3.25Å; G86-L89 PolarHBondContact O-N 3.13Å; G86-R90 PolarHBondContact O-N 3Å; G86-R90 VanDerWaalsContact O-N 3.1Å | ||
| 87 | D | 74.5 | Confident | 77.4 | Confident | 120 Ų | 120 | 71.7 Ų | 71.7 | 64% | 0.642 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -51 | -33.8 | -174.2 | -73.2 | -28.6 | 0 | 0 | 0 | 114.4 | K91 | D87-K91 PolarHBondContact O-N 3.46Å |
| 88 | D | 77.7 | Confident | 77.5 | Confident | 101 Ų | 101 | 71.1 Ų | 71.1 | 54% | 0.54 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -71.7 | -37.3 | 178.9 | -165.4 | 53.6 | 0 | 0 | 0 | 112.5 | G86 K92 | G86-D88 PolarHBondContact O-N 2.81Å; D88-K92 WeakPolarHBondContact O-CG 3.32Å; D88-K92 PolarHBondContact O-N 2.79Å; D88-K92 IonicContact OD2-NZ 2.78Å; D88-K92 PolarHBondContact OD2-NZ 3.02Å |
| 89 | L | 79.2 | Confident | 77.6 | Confident | 51 Ų | 51 | 71.3 Ų | 71.3 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -70.2 | -39.5 | 174.6 | -75.6 | 120.9 | 0 | 0 | 0 | 111.2 | G86 K91 K92 V93 F189 L190 | G86-L89 WeakPolarHBondContact O-CB 3.25Å; G86-L89 PolarHBondContact O-N 3.13Å; L89-K91 VanDerWaalsContact C-N 3.31Å; L89-K91 PolarHBondContact O-N 2.68Å; L89-K92 PolarHBondContact O-N 3.1Å; L89-V93 WeakPolarHBondContact O-CG2 3.42Å; L89-V93 PolarHBondContact O-N 3.47Å; L89-F189 HydrophobicContact CD2-CD2 4.27Å; L89-F189 WeakPolarHBondContact CD2-O 3.26Å; L89-L190 HydrophobicContact CD2-CD2 4.28Å |
| 90 | R | 82 | Confident | 77.6 | Confident | 55 Ų | 55 | 77.4 Ų | 77.4 | 21% | 0.208 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.7 | -44.5 | 178.2 | -178.3 | 178.7 | 165.1 | 154.9 | 2.5 | 111.3 | L76 D77 E80 G86 V93 R94 | L76-R90 HydrophobicContact CB-CG 4.33Å; L76-R90 HydrophobicContact CD1-CG 4.1Å; L76-R90 HydrophobicContact CD2-CG 4.39Å; D77-R90 IonicContact OD1-CZ 2.72Å; D77-R90 IonicContact OD1-NH1 3.2Å; D77-R90 PolarHBondContact OD1-NH1 2.74Å; D77-R90 IonicContact OD1-NH2 2.64Å; D77-R90 PolarHBondContact OD1-NH2 3.17Å; E80-R90 IonicContact OE2-CZ 3.12Å; E80-R90 IonicContact OE2-NH1 3.74Å; E80-R90 PolarHBondContact OE2-NH1 2.82Å; G86-R90 PolarHBondContact O-N 3Å; G86-R90 VanDerWaalsContact O-N 3.1Å; R90-V93 PolarHBondContact O-N 2.61Å; R90-R94 WeakPolarHBondContact O-CB 3.43Å; R90-R94 PolarHBondContact O-N 3.42Å |
| 91 | K | 83.3 | Confident | 78.2 | Confident | 137 Ų | 137 | 74.5 Ų | 74.5 | 60% | 0.596 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.2 | -46 | 176 | -73.5 | -179.7 | -177.8 | 178 | 0 | 112.1 | D87 L89 V93 R94 E95 | D87-K91 PolarHBondContact O-N 3.46Å; L89-K91 VanDerWaalsContact C-N 3.31Å; L89-K91 PolarHBondContact O-N 2.68Å; K91-V93 PolarHBondContact O-N 3.45Å; K91-R94 WeakPolarHBondContact O-CB 3.45Å; K91-R94 PolarHBondContact O-N 3.38Å; K91-E95 WeakPolarHBondContact O-CG 3.45Å; K91-E95 PolarHBondContact O-N 2.89Å |
| 92 | K | 83.9 | Confident | 78.6 | Confident | 76 Ų | 76 | 69.7 Ų | 69.7 | 33% | 0.33 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 178.8 | -69.9 | 171.4 | 178.7 | 158.9 | 0 | 112.6 | D88 L89 E95 T96 F189 | D88-K92 WeakPolarHBondContact O-CG 3.32Å; D88-K92 PolarHBondContact O-N 2.79Å; D88-K92 IonicContact OD2-NZ 2.78Å; D88-K92 PolarHBondContact OD2-NZ 3.02Å; L89-K92 PolarHBondContact O-N 3.1Å; K92-E95 PolarHBondContact O-N 2.87Å; K92-T96 WeakPolarHBondContact O-CG2 3.32Å; K92-T96 PolarHBondContact O-N 2.97Å; K92-T96 PolarHBondContact O-OG1 3.14Å; K92-F189 HydrophobicContact CB-CD1 4.5Å; K92-F189 HydrophobicContact CB-CD2 4.09Å; K92-F189 HydrophobicContact CB-CE1 4.08Å; K92-F189 HydrophobicContact CB-CE2 3.63Å; K92-F189 HydrophobicContact CB-CZ 3.61Å; K92-F189 HydrophobicContact CD-CD1 4.35Å; K92-F189 HydrophobicContact CD-CD2 4.42Å; K92-F189 HydrophobicContact CD-CG 4.21Å |
| 93 | V | 83 | Confident | 79.1 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -43 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 111 | L76 L85 L89 R90 K91 E95 T96 L97 F189 L190 L223 | L76-V93 HydrophobicContact CD2-CB 4.16Å; L76-V93 HydrophobicContact CD2-CG1 3.85Å; L85-V93 HydrophobicContact CD2-CG2 4.46Å; L89-V93 WeakPolarHBondContact O-CG2 3.42Å; L89-V93 PolarHBondContact O-N 3.47Å; R90-V93 PolarHBondContact O-N 2.61Å; K91-V93 PolarHBondContact O-N 3.45Å; V93-E95 PolarHBondContact O-N 2.84Å; V93-T96 VanDerWaalsContact C-OG1 3.29Å; V93-T96 VanDerWaalsContact CA-OG1 3.26Å; V93-T96 WeakPolarHBondContact CA-OG1 3.17Å; V93-T96 PolarHBondContact O-N 2.76Å; V93-T96 PolarHBondContact O-OG1 2.92Å; V93-L97 HydrophobicContact CG1-CD1 4.32Å; V93-L97 PolarHBondContact O-N 2.96Å; V93-F189 HydrophobicContact CG2-CE2 3.94Å; V93-L190 HydrophobicContact CG2-CD2 3.84Å; V93-L190 HydrophobicContact CG2-CG 4.5Å; V93-L223 HydrophobicContact CG1-CD1 4.11Å |
| 94 | R | 85.9 | Confident | 79 | Confident | 76 Ų | 76 | 61.9 Ų | 61.9 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 174.8 | -173.3 | -160.9 | 178.8 | 112.2 | 3.2 | 111.4 | E73 L76 R90 K91 T96 L97 L98 | E73-R94 VanDerWaalsContact CD-NH1 3.3Å; E73-R94 IonicContact OE1-CZ 2.88Å; E73-R94 IonicContact OE1-NH1 2.74Å; E73-R94 PolarHBondContact OE1-NH1 2.78Å; E73-R94 IonicContact OE1-NH2 2.69Å; E73-R94 PolarHBondContact OE1-NH2 3.31Å; L76-R94 HydrophobicContact CD1-CB 3.81Å; L76-R94 HydrophobicContact CD1-CG 4.41Å; R90-R94 WeakPolarHBondContact O-CB 3.43Å; R90-R94 PolarHBondContact O-N 3.42Å; K91-R94 WeakPolarHBondContact O-CB 3.45Å; K91-R94 PolarHBondContact O-N 3.38Å; R94-T96 VanDerWaalsContact C-N 3.28Å; R94-T96 PolarHBondContact O-N 2.81Å; R94-L97 PolarHBondContact O-N 2.98Å; R94-L98 HydrophobicContact CG-CD1 4.08Å; R94-L98 WeakPolarHBondContact O-CG 3.26Å; R94-L98 PolarHBondContact O-N 2.95Å |
| 95 | E | 85.6 | Confident | 78.7 | Confident | 124 Ų | 124 | 58.7 Ų | 58.7 | 58% | 0.579 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -59.3 | -40 | 178.2 | -74.6 | 172.1 | -174.7 | 0 | 0 | 111.4 | K91 K92 V93 L98 K99 | K91-E95 WeakPolarHBondContact O-CG 3.45Å; K91-E95 PolarHBondContact O-N 2.89Å; K92-E95 PolarHBondContact O-N 2.87Å; V93-E95 PolarHBondContact O-N 2.84Å; E95-L98 PolarHBondContact O-N 3.4Å; E95-K99 WeakPolarHBondContact O-CG 3.49Å; E95-K99 PolarHBondContact O-N 2.89Å |
| 96 | T | 85.3 | Confident | 78.1 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 176.1 | 48.6 | 0 | 0 | 0 | 0 | 113.9 | I4 W14 K92 V93 R94 L98 K99 L187 F189 | I4-T96 HydrophobicContact CD1-CG2 4.24Å; W14-T96 PolarHBondContact NE1-O 2.92Å; K92-T96 WeakPolarHBondContact O-CG2 3.32Å; K92-T96 PolarHBondContact O-N 2.97Å; K92-T96 PolarHBondContact O-OG1 3.14Å; V93-T96 VanDerWaalsContact C-OG1 3.29Å; V93-T96 VanDerWaalsContact CA-OG1 3.26Å; V93-T96 WeakPolarHBondContact CA-OG1 3.17Å; V93-T96 PolarHBondContact O-N 2.76Å; V93-T96 PolarHBondContact O-OG1 2.92Å; R94-T96 VanDerWaalsContact C-N 3.28Å; R94-T96 PolarHBondContact O-N 2.81Å; T96-L98 VanDerWaalsContact C-N 3.26Å; T96-L98 PolarHBondContact O-N 2.81Å; T96-K99 PolarHBondContact O-N 2.85Å; T96-L187 HydrophobicContact CG2-CD1 4.23Å; T96-L187 HydrophobicContact CG2-CD2 3.76Å; T96-F189 HydrophobicContact CG2-CE1 4.39Å; T96-F189 HydrophobicContact CG2-CZ 3.99Å |
| 97 | L | 84.6 | Confident | 76.7 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.7 | -24.2 | 178.1 | -71.8 | 173.5 | 0 | 0 | 0 | 113.1 | W14 A72 V93 R94 L183 I221 L223 | W14-L97 HydrophobicContact CZ2-CD2 4.42Å; A72-L97 HydrophobicContact CB-CB 4.28Å; A72-L97 HydrophobicContact CB-CD1 3.86Å; V93-L97 HydrophobicContact CG1-CD1 4.32Å; V93-L97 PolarHBondContact O-N 2.96Å; R94-L97 PolarHBondContact O-N 2.98Å; L97-L183 HydrophobicContact CD2-CD1 4.5Å; L97-I221 HydrophobicContact CD1-CD1 4.41Å; L97-I221 HydrophobicContact CD2-CD1 4.05Å; L97-I221 HydrophobicContact CD2-CG2 3.86Å; L97-L223 HydrophobicContact CD2-CD1 4.08Å; L97-L223 HydrophobicContact CG-CD1 4.41Å |
| 98 | L | 86 | Confident | 75.4 | Confident | 62 Ų | 62 | 65.3 Ų | 65.3 | 33% | 0.325 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -0.1 | 179.8 | -63.8 | 177.7 | 0 | 0 | 0 | 113.7 | I68 E69 R94 E95 T96 | I68-L98 HydrophobicContact CG2-CD2 3.83Å; E69-L98 HydrophobicContact CB-CD2 4.18Å; E69-L98 HydrophobicContact CG-CD1 3.98Å; E69-L98 HydrophobicContact CG-CD2 3.38Å; E69-L98 HydrophobicContact CG-CG 4.33Å; R94-L98 HydrophobicContact CG-CD1 4.08Å; R94-L98 WeakPolarHBondContact O-CG 3.26Å; R94-L98 PolarHBondContact O-N 2.95Å; E95-L98 PolarHBondContact O-N 3.4Å; T96-L98 VanDerWaalsContact C-N 3.26Å; T96-L98 PolarHBondContact O-N 2.81Å |
| 99 | K | 85.3 | Confident | 73.7 | Confident | 55 Ų | 55 | 65 Ų | 65 | 24% | 0.239 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -65.1 | 155.2 | 178.2 | -67 | -154.5 | 178.8 | -166.2 | 0 | 111.8 | S12 E95 T96 H101 | S12-K99 WeakPolarHBondContact O-CD 3.43Å; S12-K99 PolarHBondContact O-NZ 2.87Å; S12-K99 VanDerWaalsContact OG-CE 3.3Å; S12-K99 WeakPolarHBondContact OG-CE 3.47Å; S12-K99 PolarHBondContact OG-NZ 2.83Å; E95-K99 WeakPolarHBondContact O-CG 3.49Å; E95-K99 PolarHBondContact O-N 2.89Å; T96-K99 PolarHBondContact O-N 2.85Å; K99-H101 PolarHBondContact O-CD2 3.28Å; K99-H101 VanDerWaalsContact O-CD2 3.32Å |
| 100 | Q | 78.7 | Confident | 71.9 | Confident | 153 Ų | 153 | 66.8 Ų | 66.8 | 72% | 0.715 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 136 | -178.4 | -168.5 | 174.5 | 0.4 | 0 | 0 | 111.5 | W14 | W14-Q100 PolarHBondContact N-O 3.36Š|
| 101 | H | 82.9 | Confident | 69.9 | Low | 14 Ų | 14 | 71.4 Ų | 71.4 | 7% | 0.065 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125.8 | 173.2 | -64.9 | -112.2 | 0 | 0 | 0 | 110.6 | D2 W14 K99 G208 L209 | D2-H101 IonicContact OD2-CE1 2.65Å; D2-H101 IonicContact OD2-CG 2.89Å; D2-H101 IonicContact OD2-ND1 2.66Å; D2-H101 PolarHBondContact OD2-ND1 2.94Å; W14-H101 HydrophobicContact CB-CB 4.26Å; W14-H101 AromaticContact CD1-CE1 3.85Å; W14-H101 AromaticContact CD1-NE2 3.72Å; W14-H101 AromaticContact CG-CE1 3.71Å; W14-H101 AromaticContact CG-ND1 3.89Å; K99-H101 PolarHBondContact O-CD2 3.28Å; K99-H101 VanDerWaalsContact O-CD2 3.32Å; H101-G208 VanDerWaalsContact CB-O 3.27Å; H101-G208 WeakPolarHBondContact CB-O 3.3Å; H101-L209 WeakPolarHBondContact CE1-CD2 3.5Å |
| 102 | H | 76.7 | Confident | 67.8 | Low | 42 Ų | 42 | 74.8 Ų | 74.8 | 19% | 0.194 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 112.9 | -179.9 | -169.8 | 71.1 | 0 | 0 | 0 | 110.4 | W14 E16 | W14-H102 WeakPolarHBondContact O-CB 3.12Å; W14-H102 PolarHBondContact O-N 2.87Å; E16-H102 PolarHBondContact N-O 2.84Å |
| 103 | H | 76.6 | Confident | 65.4 | Low | 11 Ų | 11 | 78.6 Ų | 78.6 | 5% | 0.051 | 38% | 0.381 | C | S | . | . | trans | -97.8 | 141.5 | 178.9 | -60.1 | -66.8 | 0 | 0 | 0 | 111.1 | E16 N105 Q106 G208 E211 | E16-H103 IonicContact OE2-ND1 3.85Å; H103-N105 VanDerWaalsContact C-N 3.26Å; H103-N105 PolarHBondContact O-N 2.72Å; H103-Q106 PolarHBondContact O-N 2.96Å; H103-G208 PolarHBondContact NE2-O 2.97Å; H103-E211 HydrophobicContact CB-CB 4.25Å; H103-E211 HydrophobicContact CB-CG 4.24Å; H103-E211 PolarHBondContact CE1-N 2.81Å | ||
| 104 | Q | 64.4 | Low | 62.9 | Low | 26 Ų | 26 | 84.6 Ų | 84.6 | 12% | 0.121 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -33.7 | -169.2 | -176.3 | 55.2 | 23.4 | 0 | 0 | 114.6 | G31 E32 W34 | G31-Q104 VanDerWaalsContact C-NE2 3.33Å; G31-Q104 PolarHBondContact O-NE2 2.89Å; G31-Q104 PolarHBondContact O-OE1 2.79Å; E32-Q104 PolarHBondContact O-NE2 2.97Å; W34-Q104 HydrophobicContact CZ2-CB 4.5Å |
| 105 | N | 58.2 | Low | 60.3 | Low | 45 Ų | 45 | 88.3 Ų | 88.3 | 24% | 0.241 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -10.1 | -178.4 | -87.7 | -37.9 | 0 | 0 | 0 | 115.3 | H103 K107 K108 E211 | H103-N105 VanDerWaalsContact C-N 3.26Å; H103-N105 PolarHBondContact O-N 2.72Å; N105-K107 VanDerWaalsContact C-N 3.28Å; N105-K107 PolarHBondContact O-N 3.34Å; N105-K108 PolarHBondContact O-N 2.97Å; N105-E211 WeakPolarHBondContact CB-OE1 3.08Å; N105-E211 PolarHBondContact ND2-OE1 2.75Å |
| 106 | Q | 54.2 | Low | 57.9 | Low | 89 Ų | 89 | 88.6 Ų | 88.6 | 42% | 0.416 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.5 | -31.9 | 177.5 | -83.6 | -178.6 | -6.6 | 0 | 0 | 112.6 | H103 K108 L109 A110 | H103-Q106 PolarHBondContact O-N 2.96Å; Q106-K108 PolarHBondContact O-N 2.86Å; Q106-L109 PolarHBondContact O-N 2.86Å; Q106-A110 PolarHBondContact O-N 2.58Å |
| 107 | K | 43 | Very low | 55.3 | Low | 111 Ų | 111 | 100.4 Ų | 100.4 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -33.4 | 176.1 | -77.3 | -179.2 | -178.4 | 170.9 | 0 | 113.8 | N105 L109 | N105-K107 VanDerWaalsContact C-N 3.28Å; N105-K107 PolarHBondContact O-N 3.34Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 3.21Å |
| 108 | K | 46 | Very low | 52.9 | Low | 132 Ų | 132 | 104.8 Ų | 104.8 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.6 | -23.7 | 179 | -88.6 | 176.8 | -179 | 162.4 | 0 | 113.2 | N105 Q106 | N105-K108 PolarHBondContact O-N 2.97Å; Q106-K108 PolarHBondContact O-N 2.86Å |
| 109 | L | 42.2 | Very low | 50.4 | Low | 96 Ų | 96 | 109.3 Ų | 109.3 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -82.5 | -37.9 | 179.2 | -116.6 | 96.5 | 0 | 0 | 0 | 112.6 | Q106 K107 N111 R112 K164 | Q106-L109 PolarHBondContact O-N 2.86Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 3.21Å; L109-N111 VanDerWaalsContact C-N 3.3Å; L109-N111 PolarHBondContact O-N 3.41Å; L109-R112 PolarHBondContact O-N 2.74Å; L109-K164 HydrophobicContact CD2-CB 4.09Å; L109-K164 HydrophobicContact CD2-CD 3.62Å; L109-K164 HydrophobicContact CD2-CG 4.46Å |
| 110 | A | 41.8 | Very low | 47.9 | Very low | 88 Ų | 88 | 111.4 Ų | 111.4 | 73% | 0.727 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.3 | -31.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q106 | Q106-A110 PolarHBondContact O-N 2.58Å |
| 111 | N | 39.6 | Very low | 45.7 | Very low | 152 Ų | 152 | 111.9 Ų | 111.9 | 81% | 0.813 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 5.7 | -178.8 | -79.4 | -9.6 | 0 | 0 | 0 | 115.1 | L109 | L109-N111 VanDerWaalsContact C-N 3.3Å; L109-N111 PolarHBondContact O-N 3.41Å |
| 112 | R | 39.3 | Very low | 43.2 | Very low | 207 Ų | 207 | 120 Ų | 120 | 78% | 0.781 | 63% | 0.627 | S | S | * | * | trans | -113.3 | 100.5 | 176.9 | -81.6 | -174.6 | 171.3 | 174.7 | -0.4 | 111.5 | L109 | L109-R112 PolarHBondContact O-N 2.74Š| ||
| 113 | L | 34.2 | Very low | 41 | Very low | 157 Ų | 157 | 121.3 Ų | 121.3 | 82% | 0.822 | 65% | 0.651 | S | S | * | * | trans | -52.5 | 142.5 | 159.5 | -75.2 | 162.3 | 0 | 0 | 0 | 109.9 | I115 | L113-I115 PolarHBondContact O-N 3.15Š| ||
| 114 | P | 31.1 | Very low | 38.9 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 83% | 0.825 | 69% | 0.691 | S | S | * | * | trans | -78.3 | 99.7 | -174.1 | 31.5 | -31.1 | 0 | 0 | 0 | 109.8 | ||||
| 115 | I | 30.2 | Very low | 37.2 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | -101.6 | 110.3 | 166.1 | -66.8 | 172.2 | 0 | 0 | 0 | 108.2 | L113 R117 | L113-I115 PolarHBondContact O-N 3.15Å; I115-R117 PolarHBondContact O-N 2.6Å | ||
| 116 | V | 36.6 | Very low | 35.9 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | trans | 0.4 | 108.5 | 161.7 | -173.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 117 | R | 29.7 | Very low | 34.7 | Very low | 254 Ų | 254 | 146.1 Ų | 146.1 | 96% | 0.958 | 77% | 0.774 | S | S | * | * | trans | -138 | 79.5 | 146 | -91.1 | -172.2 | 178.1 | 153.7 | 0.9 | 110 | I115 | I115-R117 PolarHBondContact O-N 2.6Š| ||
| 118 | S | 34.1 | Very low | 33.9 | Very low | 96 Ų | 96 | 150.2 Ų | 150.2 | 67% | 0.671 | 79% | 0.794 | S | S | * | * | trans | -90.3 | 150.5 | 157.7 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 119 | I | 34.6 | Very low | 33 | Very low | 157 Ų | 157 | 152.1 Ų | 152.1 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 119.8 | -19.7 | 160.8 | -64.4 | 171.4 | 0 | 0 | 0 | 118.4 | ||
| 120 | A | 32.1 | Very low | 32.3 | Very low | 100 Ų | 100 | 156.4 Ų | 156.4 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -94.9 | -13.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 121 | D | 31.7 | Very low | 31.6 | Very low | 163 Ų | 163 | 160.2 Ų | 160.2 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -109.5 | 8.5 | -170.6 | -95.9 | -25.8 | 0 | 0 | 0 | 115.9 | G123 | D121-G123 VanDerWaalsContact C-N 3.32Å; D121-G123 PolarHBondContact O-N 3.46Å |
| 122 | M | 30.3 | Very low | 31 | Very low | 185 Ų | 185 | 160 Ų | 160 | 91% | 0.911 | 83% | 0.834 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 15.5 | 180 | -147.5 | 141 | 66.1 | 0 | 0 | 114.1 | ||
| 123 | G | 30.8 | Very low | 30.9 | Very low | 68 Ų | 68 | 159.8 Ų | 159.8 | 70% | 0.701 | 84% | 0.838 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 0.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | D121 | D121-G123 VanDerWaalsContact C-N 3.32Å; D121-G123 PolarHBondContact O-N 3.46Å |
| 124 | R | 32.6 | Very low | 30.8 | Very low | 233 Ų | 233 | 159.7 Ų | 159.7 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -133.2 | 34.1 | -172.1 | -79.2 | -170.3 | 176.3 | -155.3 | -2.9 | 115.8 | ||
| 125 | R | 29.8 | Very low | 31.1 | Very low | 250 Ų | 250 | 157.7 Ų | 157.7 | 94% | 0.943 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -128.4 | 51.5 | 163.2 | -71.6 | -168.6 | -171.2 | 176.8 | 3.3 | 111.7 | ||
| 126 | A | 29.3 | Very low | 30.9 | Very low | 93 Ų | 93 | 159.2 Ų | 159.2 | 77% | 0.769 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -147 | 66.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 127 | S | 28.8 | Very low | 30.4 | Very low | 116 Ų | 116 | 161.9 Ų | 161.9 | 81% | 0.811 | 85% | 0.854 | S | S | * | * | trans | 174.7 | 78.4 | 156.3 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 128 | E | 27.7 | Very low | 30.1 | Very low | 197 Ų | 197 | 155.8 Ų | 155.8 | 92% | 0.921 | 85% | 0.845 | S | S | * | * | trans | -152.7 | 75.6 | 146.7 | -113.7 | 173.7 | -158.8 | 0 | 0 | 106.7 | ||||
| 129 | L | 27 | Very low | 29.7 | Very low | 173 Ų | 173 | 156.2 Ų | 156.2 | 91% | 0.906 | 85% | 0.854 | S | S | * | * | trans | -115.8 | 102.2 | 163.6 | -90.4 | 162.9 | 0 | 0 | 0 | 105.8 | L131 | L129-L131 PolarHBondContact O-N 2.91Š| ||
| 130 | H | 27.3 | Very low | 29.3 | Very low | 186 Ų | 186 | 154.4 Ų | 154.4 | 86% | 0.861 | 86% | 0.855 | S | S | * | * | trans | -74 | 117.7 | 167.1 | -128.7 | -103.9 | 0 | 0 | 0 | 107.4 | ||||
| 131 | L | 26.3 | Very low | 29 | Very low | 168 Ų | 168 | 157.6 Ų | 157.6 | 88% | 0.88 | 85% | 0.853 | S | S | * | * | trans | -93.9 | 105 | -179.5 | -165.2 | 83.8 | 0 | 0 | 0 | 108.8 | L129 | L129-L131 PolarHBondContact O-N 2.91Š| ||
| 132 | D | 27.8 | Very low | 28.7 | Very low | 148 Ų | 148 | 155.7 Ų | 155.7 | 79% | 0.791 | 85% | 0.853 | S | S | * | * | trans | -94 | 142.3 | 163.6 | -101.7 | -25.2 | 0 | 0 | 0 | 111.1 | N134 | D132-N134 PolarHBondContact O-N 2.9Š| ||
| 133 | K | 37.1 | Very low | 28.5 | Very low | 201 Ų | 201 | 154.6 Ų | 154.6 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -65.5 | 94.9 | -175.7 | -82.6 | 175.5 | 169.5 | 175.2 | 0 | 111.8 | ||
| 134 | N | 31.1 | Very low | 28.2 | Very low | 156 Ų | 156 | 160 Ų | 160 | 83% | 0.834 | 86% | 0.857 | S | S | * | * | S | Bend | trans | 176.3 | 109.6 | 132.6 | -91.8 | -8.2 | 0 | 0 | 0 | 107.7 | D132 Q136 | D132-N134 PolarHBondContact O-N 2.9Å; N134-Q136 PolarHBondContact O-N 3.26Å; N134-Q136 VanDerWaalsContact O-N 3.17Å |
| 135 | G | 37.6 | Very low | 27.8 | Very low | 85 Ų | 85 | 153.5 Ų | 153.5 | 88% | 0.876 | 85% | 0.853 | S | S | * | * | trans | -64.6 | 113.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 136 | Q | 26.8 | Very low | 27.4 | Very low | 185 Ų | 185 | 145 Ų | 145 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | trans | -159.3 | 126.2 | 152.8 | -110.6 | 170.4 | 12.4 | 0 | 0 | 109.8 | N134 | N134-Q136 PolarHBondContact O-N 3.26Å; N134-Q136 VanDerWaalsContact O-N 3.17Å | ||
| 137 | L | 26 | Very low | 27.6 | Very low | 186 Ų | 186 | 147 Ų | 147 | 97% | 0.974 | 85% | 0.848 | S | S | * | * | trans | -90.2 | 114.2 | 174.1 | -82 | 152 | 0 | 0 | 0 | 108.9 | ||||
| 138 | T | 23.7 | Very low | 27.5 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 77% | 0.773 | 85% | 0.854 | S | S | * | * | trans | -132.3 | 115.5 | 164.8 | 46 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 139 | A | 25.5 | Very low | 27.4 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | trans | -79.8 | 117.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 140 | S | 25.2 | Very low | 27.4 | Very low | 119 Ų | 119 | 146 Ų | 146 | 83% | 0.832 | 85% | 0.848 | S | S | * | * | trans | -95.4 | 93.6 | 170.2 | 39.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 141 | Q | 26.2 | Very low | 27.2 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 79% | 0.785 | 84% | 0.844 | S | S | * | * | trans | -66.8 | 125.3 | 152.7 | -81.4 | 175.4 | -19.7 | 0 | 0 | 108.7 | ||||
| 142 | S | 26.4 | Very low | 27.1 | Very low | 123 Ų | 123 | 140 Ų | 140 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | -95.8 | 95.3 | 156.6 | 42.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 143 | Q | 25.5 | Very low | 27.3 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 75% | 0.752 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 127.3 | 160 | -75 | -172.6 | -26.5 | 0 | 0 | 108.9 | ||
| 144 | L | 24.6 | Very low | 26.7 | Very low | 183 Ų | 183 | 136.5 Ų | 136.5 | 96% | 0.958 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 118 | 149.4 | -112.5 | 119.9 | 0 | 0 | 0 | 106.7 | ||
| 145 | A | 24.3 | Very low | 26.8 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 79% | 0.785 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 127.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 146 | G | 22.1 | Very low | 26.2 | Very low | 71 Ų | 71 | 143.6 Ų | 143.6 | 73% | 0.732 | 84% | 0.835 | S | S | * | * | trans | -117.1 | 144.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 147 | P | 32.5 | Very low | 26.1 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 88% | 0.877 | 84% | 0.835 | S | S | * | * | trans | -87.8 | 155.7 | -159.7 | 34.6 | -34.1 | 0 | 0 | 0 | 114.6 | ||||
| 148 | D | 26.6 | Very low | 26.4 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | trans | -51.4 | 146.1 | 178.8 | -77.9 | -52.8 | 0 | 0 | 0 | 116.5 | ||||
| 149 | G | 26.3 | Very low | 26.7 | Very low | 73 Ų | 73 | 137.6 Ų | 137.6 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | -170.7 | 84.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 150 | K | 26.2 | Very low | 27.2 | Very low | 218 Ų | 218 | 138.1 Ų | 138.1 | 95% | 0.948 | 82% | 0.821 | S | S | * | * | trans | 22.7 | 127.6 | 152.9 | -74.1 | 176.9 | 172.4 | 176.1 | 0 | 120.4 | ||||
| 151 | G | 24.6 | Very low | 27.4 | Very low | 77 Ų | 77 | 138.9 Ų | 138.9 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 128.5 | 118.2 | 133 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 152 | D | 23.3 | Very low | 28 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | 58 | 116.7 | 148.1 | -81.1 | -20.6 | 0 | 0 | 0 | 124.2 | ||||
| 153 | I | 31.8 | Very low | 28.6 | Very low | 155 Ų | 155 | 136 Ų | 136 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | trans | 36.2 | 109.8 | 130.3 | -50.7 | 170.9 | 0 | 0 | 0 | 118.5 | ||||
| 154 | S | 24.7 | Very low | 29.3 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | -171.9 | 154.9 | 125.4 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 155 | R | 32.3 | Very low | 30.4 | Very low | 226 Ų | 226 | 129.8 Ų | 129.8 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -71.8 | 165.1 | -166.5 | -67.9 | 155.3 | 81.2 | 143 | 0.2 | 114.4 | ||||
| 156 | E | 26 | Very low | 31.6 | Very low | 164 Ų | 164 | 129.6 Ų | 129.6 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | 87.3 | 101.4 | 157 | -75.5 | 161.5 | -156.7 | 0 | 0 | 119.4 | ||||
| 157 | N | 24.3 | Very low | 33.1 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 87% | 0.866 | 75% | 0.746 | S | S | * | * | -167.6 | 125.8 | 114.3 | -95 | -16.7 | 0 | 0 | 0 | 110 | A159 | N157-A159 PolarHBondContact O-N 3.49Å; N157-A159 VanDerWaalsContact O-N 3.15Å | |||
| 158 | S | 31.6 | Very low | 34.3 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | trans | -65.8 | 105.4 | -176.8 | 46.6 | 0 | 0 | 0 | 0 | 112 | V160 | S158-V160 PolarHBondContact O-N 3.21Š| ||
| 159 | A | 30.1 | Very low | 36.1 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 84% | 0.835 | 69% | 0.694 | S | S | * | * | trans | -67.7 | 111 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | N157 | N157-A159 PolarHBondContact O-N 3.49Å; N157-A159 VanDerWaalsContact O-N 3.15Å | ||
| 160 | V | 37 | Very low | 38.1 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 70% | 0.697 | 68% | 0.677 | S | S | * | * | trans | -76.3 | 125.7 | 177.5 | -168.6 | 0 | 0 | 0 | 0 | 108.8 | S158 F162 | S158-V160 PolarHBondContact O-N 3.21Å; V160-F162 WeakPolarHBondContact O-CD2 3.42Å; V160-F162 PolarHBondContact O-N 3.04Å | ||
| 161 | D | 30.1 | Very low | 39.9 | Very low | 134 Ų | 134 | 123.5 Ų | 123.5 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | trans | -71.2 | 108.2 | -173.2 | -144.2 | -1.6 | 0 | 0 | 0 | 111.1 | S163 | D161-S163 PolarHBondContact O-N 3.26Š| ||
| 162 | F | 38.2 | Very low | 42 | Very low | 131 Ų | 131 | 124 Ų | 124 | 58% | 0.575 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -67.5 | -3 | -171.3 | -77.4 | -83.5 | 0 | 0 | 0 | 115.5 | V160 K164 I165 | V160-F162 WeakPolarHBondContact O-CD2 3.42Å; V160-F162 PolarHBondContact O-N 3.04Å; F162-K164 VanDerWaalsContact C-N 3.3Å; F162-K164 PolarHBondContact O-N 2.86Å; F162-I165 HydrophobicContact CD1-CD1 4.05Å |
| 163 | S | 37.9 | Very low | 44.5 | Very low | 99 Ų | 99 | 117.9 Ų | 117.9 | 69% | 0.692 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -83.1 | 5.1 | -172.3 | 68.3 | 0 | 0 | 0 | 0 | 115.3 | D161 | D161-S163 PolarHBondContact O-N 3.26Š|
| 164 | K | 41.5 | Very low | 46.4 | Very low | 149 Ų | 149 | 114.2 Ų | 114.2 | 65% | 0.648 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -117.9 | 13.5 | -174.8 | -78.1 | -174.5 | -177.3 | 171.9 | 0 | 115.7 | L109 F162 | L109-K164 HydrophobicContact CD2-CB 4.09Å; L109-K164 HydrophobicContact CD2-CD 3.62Å; L109-K164 HydrophobicContact CD2-CG 4.46Å; F162-K164 VanDerWaalsContact C-N 3.3Å; F162-K164 PolarHBondContact O-N 2.86Å |
| 165 | I | 46.9 | Very low | 48.4 | Very low | 65 Ų | 65 | 115 Ų | 115 | 33% | 0.333 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -81.7 | 139.3 | -177.4 | -56.4 | 173.9 | 0 | 0 | 0 | 111 | F162 L167 P213 | F162-I165 HydrophobicContact CD1-CD1 4.05Å; I165-L167 PolarHBondContact O-N 3.37Å; I165-P213 HydrophobicContact CD1-CG 4.44Å |
| 166 | D | 49.7 | Very low | 50.3 | Low | 92 Ų | 92 | 107.9 Ų | 107.9 | 49% | 0.492 | 60% | 0.601 | S | S | . | * | trans | -68.5 | 92.5 | -171.8 | -150.4 | -4.6 | 0 | 0 | 0 | 112.2 | H168 F169 | D166-H168 PolarHBondContact O-N 3.05Å; D166-F169 PolarHBondContact O-N 3.29Å | ||
| 167 | L | 53.5 | Low | 52.9 | Low | 129 Ų | 129 | 102 Ų | 102 | 68% | 0.675 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -57.6 | -12.6 | -178.4 | -71.6 | 164.3 | 0 | 0 | 0 | 114.4 | I165 K171 | I165-L167 PolarHBondContact O-N 3.37Å; L167-K171 WeakPolarHBondContact O-CG 3.47Å; L167-K171 PolarHBondContact O-N 3.05Å |
| 168 | H | 57 | Low | 55.9 | Low | 123 Ų | 123 | 98.1 Ų | 98.1 | 57% | 0.569 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -76.3 | -35 | -179.1 | -173.4 | -98.6 | 0 | 0 | 0 | 112.9 | D166 | D166-H168 PolarHBondContact O-N 3.05Å |
| 169 | F | 65.8 | Low | 58.7 | Low | 37 Ų | 37 | 93.6 Ų | 93.6 | 16% | 0.162 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -76.3 | -40.5 | 176.6 | -176.8 | -126.6 | 0 | 0 | 0 | 111.2 | D166 K171 K172 I173 V212 | D166-F169 PolarHBondContact O-N 3.29Å; F169-K171 PolarHBondContact O-N 2.73Å; F169-K171 VanDerWaalsContact O-N 3.16Å; F169-K172 HydrophobicContact CD2-CD 4.4Å; F169-K172 WeakPolarHBondContact O-CB 3.2Å; F169-K172 PolarHBondContact O-N 2.93Å; F169-I173 HydrophobicContact CD1-CD1 4.22Å; F169-I173 HydrophobicContact CE1-CD1 3.89Å; F169-I173 HydrophobicContact CZ-CD1 4.19Å; F169-V212 HydrophobicContact CD1-CG2 3.57Å; F169-V212 HydrophobicContact CE1-CG2 4.07Å |
| 170 | M | 67.4 | Low | 61.6 | Low | 79 Ų | 79 | 90.8 Ų | 90.8 | 39% | 0.389 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -52.7 | -36.2 | 173.1 | -91.3 | -68.7 | -98.8 | 0 | 0 | 114.2 | K172 I173 V212 | M170-K172 PolarHBondContact O-N 2.98Å; M170-I173 PolarHBondContact O-N 2.79Å; M170-V212 HydrophobicContact CE-CG1 4.23Å; M170-V212 HydrophobicContact CG-CG1 3.4Å; M170-V212 HydrophobicContact SD-CG1 3.08Å; M170-V212 WeakPolarHBondContact SD-CG1 3.44Å |
| 171 | K | 64.2 | Low | 64.2 | Low | 174 Ų | 174 | 86.2 Ų | 86.2 | 76% | 0.757 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -17.5 | 177 | -74.8 | 175.4 | -175.2 | 178.3 | 0 | 114.1 | L167 F169 | L167-K171 WeakPolarHBondContact O-CG 3.47Å; L167-K171 PolarHBondContact O-N 3.05Å; F169-K171 PolarHBondContact O-N 2.73Å; F169-K171 VanDerWaalsContact O-N 3.16Å |
| 172 | K | 69.3 | Low | 67.3 | Low | 87 Ų | 87 | 80 Ų | 80 | 38% | 0.378 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -13.2 | 179.4 | -60 | -179.6 | -180 | -177.8 | 0 | 112.6 | F169 M170 P746 | F169-K172 HydrophobicContact CD2-CD 4.4Å; F169-K172 WeakPolarHBondContact O-CB 3.2Å; F169-K172 PolarHBondContact O-N 2.93Å; M170-K172 PolarHBondContact O-N 2.98Å; K172-P746 HydrophobicContact CD-CG 3.92Å |
| 173 | I | 74.8 | Confident | 69.9 | Low | 25 Ų | 25 | 73.9 Ų | 73.9 | 13% | 0.128 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -92.7 | 132.6 | -177.1 | -55.7 | 179.9 | 0 | 0 | 0 | 108.5 | L21 F169 M170 A177 I214 | L21-I173 HydrophobicContact CD1-CG1 4.36Å; F169-I173 HydrophobicContact CD1-CD1 4.22Å; F169-I173 HydrophobicContact CE1-CD1 3.89Å; F169-I173 HydrophobicContact CZ-CD1 4.19Å; M170-I173 PolarHBondContact O-N 2.79Å; I173-A177 HydrophobicContact CG2-CB 3.5Å; I173-I214 HydrophobicContact CD1-CD1 3.5Å; I173-I214 HydrophobicContact CG2-CD1 4.3Å |
| 174 | P | 71.4 | Confident | 72.5 | Confident | 78 Ų | 78 | 69.2 Ų | 69.2 | 51% | 0.506 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 146.3 | 179.1 | 22.7 | -29.4 | 0 | 0 | 0 | 111.9 | G176 A177 | P174-G176 PolarHBondContact O-N 2.84Å; P174-A177 HydrophobicContact CG-CB 4.26Å; P174-A177 WeakPolarHBondContact O-CB 3.47Å; P174-A177 PolarHBondContact O-N 2.97Å |
| 175 | P | 67.5 | Low | 74.7 | Confident | 136 Ų | 136 | 62.5 Ų | 62.5 | 88% | 0.883 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 131 | 177.5 | 27.4 | -33.6 | 0 | 0 | 0 | 110.3 | ||
| 176 | G | 71.9 | Confident | 76.7 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 79% | 0.794 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | 10 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | P174 | P174-G176 PolarHBondContact O-N 2.84Š|
| 177 | A | 81.1 | Confident | 78.4 | Confident | 40 Ų | 40 | 57.3 Ų | 57.3 | 33% | 0.331 | 32% | 0.324 | S | S | . | . | trans | -61.5 | 138 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I173 P174 I214 | I173-A177 HydrophobicContact CG2-CB 3.5Å; P174-A177 HydrophobicContact CG-CB 4.26Å; P174-A177 WeakPolarHBondContact O-CB 3.47Å; P174-A177 PolarHBondContact O-N 2.97Å; A177-I214 VanDerWaalsContact O-CG2 3.29Å; A177-I214 WeakPolarHBondContact O-CG2 3.42Å | ||
| 178 | E | 88.1 | Confident | 79.8 | Confident | 80 Ų | 80 | 58.4 Ų | 58.4 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | trans | -110.9 | 146 | 172.9 | -59.3 | -173.4 | 169 | 0 | 0 | 109.4 | A203 A215 R217 Y253 | E178-A203 HydrophobicContact CG-CB 4.26Å; E178-A215 WeakPolarHBondContact CA-O 3.48Å; E178-R217 HydrophobicContact CB-CB 3.94Å; E178-R217 WeakPolarHBondContact OE2-CB 3.37Å; E178-R217 VanDerWaalsContact OE2-CD 3.26Å; E178-R217 WeakPolarHBondContact OE2-CD 3.22Å; E178-R217 WeakPolarHBondContact OE2-CG 3.35Å; E178-Y253 PolarHBondContact OE2-OH 2.73Å | ||
| 179 | A | 89 | Confident | 80.9 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 12% | 0.124 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 143 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | I214 A215 T216 R217 F218 | A179-I214 HydrophobicContact CB-CB 4.23Å; A179-I214 HydrophobicContact CB-CG2 3.87Å; A179-A215 PolarHBondContact N-O 2.91Å; A179-T216 WeakPolarHBondContact O-CA 3.38Å; A179-R217 PolarHBondContact O-N 3.48Å; A179-F218 PolarHBondContact O-N 3.11Å |
| 180 | C | 91.8 | Very high | 81.7 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 28% | 0.284 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 111.5 | 164.7 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | F218 M243 | C180-F218 WeakPolarHBondContact CA-O 3.25Å; C180-F218 HydrophobicContact CB-CB 4.08Å; C180-M243 HydrophobicContact CB-CE 4.15Å |
| 181 | N | 92.3 | Very high | 82.2 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 10% | 0.096 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 131.6 | 179.8 | -65.9 | -26.9 | 0 | 0 | 0 | 109.6 | T216 F218 L219 F220 | N181-T216 HydrophobicContact CB-CG2 4.35Å; N181-T216 WeakPolarHBondContact ND2-CG2 3.33Å; N181-T216 PolarHBondContact ND2-OG1 2.92Å; N181-F218 PolarHBondContact N-O 3.4Å; N181-L219 HydrophobicContact CB-CD1 3.54Å; N181-L219 CarbonylContact O-C 3.55Å; N181-L219 WeakPolarHBondContact O-CA 3.41Å; N181-F220 PolarHBondContact O-N 2.87Å |
| 182 | V | 93.9 | Very high | 83 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.03 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 113.7 | -178.5 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | M1 D2 V184 F220 I239 A240 | M1-V182 CarbonylContact C-O 3.52Å; M1-V182 VanDerWaalsContact CA-O 3.26Å; M1-V182 WeakPolarHBondContact CA-O 3.41Å; M1-V182 HydrophobicContact CB-CB 4.21Å; M1-V182 HydrophobicContact CG-CB 4.19Å; M1-V182 HydrophobicContact CG-CG1 4.02Å; M1-V182 HydrophobicContact SD-CG1 4.44Å; D2-V182 PolarHBondContact N-O 3.34Å; V182-V184 HydrophobicContact CG1-CG2 3.96Å; V182-F220 HydrophobicContact CG1-CD1 4.06Å; V182-F220 HydrophobicContact CG2-CB 4.49Å; V182-I239 HydrophobicContact CG1-CG2 3.86Å; V182-I239 HydrophobicContact CG2-CG2 4.18Å; V182-A240 HydrophobicContact CG2-CB 4.18Å |
| 183 | L | 92.6 | Very high | 83.9 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 117.9 | -175.3 | -57.6 | -174.1 | 0 | 0 | 0 | 109.5 | D2 W14 L97 L209 L219 F220 I221 L222 | D2-L183 HydrophobicContact CB-CD2 3.87Å; W14-L183 HydrophobicContact CE3-CD2 4.33Å; W14-L183 HydrophobicContact CH2-CB 3.72Å; W14-L183 HydrophobicContact CZ2-CB 4.41Å; W14-L183 HydrophobicContact CZ3-CB 3.83Å; W14-L183 HydrophobicContact CZ3-CD2 4.36Å; L97-L183 HydrophobicContact CD2-CD1 4.5Å; L183-L209 HydrophobicContact CD1-CD2 4.25Å; L183-L209 HydrophobicContact CD2-CD2 4.1Å; L183-L219 HydrophobicContact CD1-CD1 4Å; L183-L219 HydrophobicContact CG-CD1 4.13Å; L183-F220 PolarHBondContact N-O 3.27Å; L183-I221 HydrophobicContact CD1-CG1 4.43Å; L183-I221 CarbonylContact O-C 3.44Å; L183-I221 WeakPolarHBondContact O-CA 3.26Å; L183-L222 PolarHBondContact O-N 2.63Å |
| 184 | V | 92.8 | Very high | 84.5 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 143.9 | -172.7 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | D2 E3 I4 W14 V182 L222 Y232 | D2-V184 PolarHBondContact O-N 3.48Å; E3-V184 VanDerWaalsContact CA-O 3.24Å; E3-V184 WeakPolarHBondContact CA-O 3.46Å; I4-V184 PolarHBondContact N-O 3.16Å; I4-V184 VanDerWaalsContact N-O 3.13Å; W14-V184 WeakPolarHBondContact CZ3-O 2.92Å; V182-V184 HydrophobicContact CG1-CG2 3.96Å; V184-L222 CarbonylContact C-O 3.52Å; V184-L222 VanDerWaalsContact CA-O 3.28Å; V184-L222 WeakPolarHBondContact CA-O 3.32Å; V184-L222 HydrophobicContact CG1-CD2 4.48Å; V184-L222 HydrophobicContact CG2-CB 4.41Å; V184-Y232 VanDerWaalsContact CG1-CB 3.46Å; V184-Y232 WeakPolarHBondContact CG1-O 3.4Å |
| 185 | G | 88.9 | Confident | 85.4 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.7 | -169.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L222 L223 G224 | G185-L222 PolarHBondContact N-O 3.31Å; G185-L223 WeakPolarHBondContact O-CA 3.22Å; G185-G224 PolarHBondContact O-N 3.3Å |
| 186 | E | 88.4 | Confident | 86.6 | Confident | 45 Ų | 45 | 44.1 Ų | 44.1 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 140.4 | -173 | -58.2 | -170.6 | 133.6 | 0 | 0 | 111.9 | G224 L226 G227 R228 G229 Y232 | E186-G224 CarbonylContact C-O 3.59Å; E186-G224 WeakPolarHBondContact CA-O 3.29Å; E186-L226 HydrophobicContact CB-CD2 4.08Å; E186-G227 PolarHBondContact OE1-N 3.28Å; E186-R228 PolarHBondContact OE1-N 2.89Å; E186-G229 VanDerWaalsContact CD-CA 3.45Å; E186-G229 VanDerWaalsContact OE1-CA 3.22Å; E186-G229 WeakPolarHBondContact OE1-CA 3.37Å; E186-G229 PolarHBondContact OE1-N 3.44Å; E186-Y232 HydrophobicContact CG-CD2 3.95Å; E186-Y232 HydrophobicContact CG-CE2 4.16Å |
| 187 | L | 85.6 | Confident | 87.7 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | trans | -131 | 126 | 176.1 | -64.4 | 175.3 | 0 | 0 | 0 | 109.9 | I4 T96 F189 L190 L223 G224 | I4-L187 HydrophobicContact CD1-CD2 4.23Å; T96-L187 HydrophobicContact CG2-CD1 4.23Å; T96-L187 HydrophobicContact CG2-CD2 3.76Å; L187-F189 HydrophobicContact CB-CE1 4.19Å; L187-F189 HydrophobicContact CB-CE2 4.25Å; L187-F189 HydrophobicContact CB-CZ 4.04Å; L187-F189 HydrophobicContact CD1-CE2 4.02Å; L187-F189 HydrophobicContact CD1-CZ 3.73Å; L187-F189 HydrophobicContact CD2-CE1 4.2Å; L187-F189 HydrophobicContact CD2-CZ 4.13Å; L187-F189 HydrophobicContact CG-CZ 4.19Å; L187-F189 PolarHBondContact O-N 3.32Å; L187-L190 HydrophobicContact CB-CB 4.4Å; L187-L190 HydrophobicContact CB-CD1 3.99Å; L187-L190 HydrophobicContact CB-CG 4.06Å; L187-L190 HydrophobicContact CD1-CD1 3.74Å; L187-L190 HydrophobicContact CD1-CG 4.31Å; L187-L190 HydrophobicContact CG-CD1 4.34Å; L187-L190 PolarHBondContact O-N 2.94Å; L187-L223 HydrophobicContact CD1-CB 4.1Å; L187-L223 HydrophobicContact CD1-CD1 3.95Å; L187-L223 HydrophobicContact CD1-CD2 4.07Å; L187-L223 HydrophobicContact CD1-CG 4.27Å; L187-L223 HydrophobicContact CG-CD2 4.44Å; L187-G224 PolarHBondContact N-O 3.03Å | ||
| 188 | E | 81.4 | Confident | 88.3 | Confident | 152 Ų | 152 | 38.8 Ų | 38.8 | 71% | 0.71 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -32.8 | -177.1 | -175.9 | 175.4 | -172.2 | 0 | 0 | 113.3 | L226 | E188-L226 HydrophobicContact CB-CD1 3.83Å; E188-L226 HydrophobicContact CB-CG 4.42Å; E188-L226 HydrophobicContact CG-CD1 3.77Å |
| 189 | F | 81.4 | Confident | 88.6 | Confident | 64 Ų | 64 | 35.3 Ų | 35.3 | 28% | 0.281 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -8.8 | -175.5 | 54.1 | -99.9 | 0 | 0 | 0 | 114.4 | L89 K92 V93 T96 L187 | L89-F189 HydrophobicContact CD2-CD2 4.27Å; L89-F189 WeakPolarHBondContact CD2-O 3.26Å; K92-F189 HydrophobicContact CB-CD1 4.5Å; K92-F189 HydrophobicContact CB-CD2 4.09Å; K92-F189 HydrophobicContact CB-CE1 4.08Å; K92-F189 HydrophobicContact CB-CE2 3.63Å; K92-F189 HydrophobicContact CB-CZ 3.61Å; K92-F189 HydrophobicContact CD-CD1 4.35Å; K92-F189 HydrophobicContact CD-CD2 4.42Å; K92-F189 HydrophobicContact CD-CG 4.21Å; V93-F189 HydrophobicContact CG2-CE2 3.94Å; T96-F189 HydrophobicContact CG2-CE1 4.39Å; T96-F189 HydrophobicContact CG2-CZ 3.99Å; L187-F189 HydrophobicContact CB-CE1 4.19Å; L187-F189 HydrophobicContact CB-CE2 4.25Å; L187-F189 HydrophobicContact CB-CZ 4.04Å; L187-F189 HydrophobicContact CD1-CE2 4.02Å; L187-F189 HydrophobicContact CD1-CZ 3.73Å; L187-F189 HydrophobicContact CD2-CE1 4.2Å; L187-F189 HydrophobicContact CD2-CZ 4.13Å; L187-F189 HydrophobicContact CG-CZ 4.19Å; L187-F189 PolarHBondContact O-N 3.32Å |
| 190 | L | 81.6 | Confident | 88.7 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | trans | -86.7 | 125.9 | -179 | -77.5 | -179.3 | 0 | 0 | 0 | 111.5 | L85 L89 V93 L187 V194 L223 P225 | L85-L190 HydrophobicContact CD2-CD2 4.4Å; L89-L190 HydrophobicContact CD2-CD2 4.28Å; V93-L190 HydrophobicContact CG2-CD2 3.84Å; V93-L190 HydrophobicContact CG2-CG 4.5Å; L187-L190 HydrophobicContact CB-CB 4.4Å; L187-L190 HydrophobicContact CB-CD1 3.99Å; L187-L190 HydrophobicContact CB-CG 4.06Å; L187-L190 HydrophobicContact CD1-CD1 3.74Å; L187-L190 HydrophobicContact CD1-CG 4.31Å; L187-L190 HydrophobicContact CG-CD1 4.34Å; L187-L190 PolarHBondContact O-N 2.94Å; L190-V194 HydrophobicContact CD1-CG2 4.22Å; L190-V194 HydrophobicContact CD2-CG2 4.15Å; L190-L223 HydrophobicContact CD1-CB 3.82Å; L190-P225 WeakPolarHBondContact O-CA 3.12Å; L190-P225 VanDerWaalsContact O-CB 3.28Å; L190-P225 WeakPolarHBondContact O-CB 3.16Å | ||
| 191 | N | 78.3 | Confident | 88.4 | Confident | 147 Ų | 147 | 34.7 Ų | 34.7 | 79% | 0.786 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -91 | -19.6 | 173.1 | -69.6 | -30.9 | 0 | 0 | 0 | 113.4 | ||
| 192 | K | 81.8 | Confident | 88.2 | Confident | 143 Ų | 143 | 36.7 Ų | 36.7 | 62% | 0.622 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -134.6 | 146.4 | 179.3 | -69.6 | -175.8 | -179.3 | 178.5 | 0 | 109.2 | ||
| 193 | P | 86.6 | Confident | 87.9 | Confident | 64 Ų | 64 | 37.9 Ų | 37.9 | 42% | 0.416 | 20% | 0.202 | S | C | . | . | trans | -69 | 139.9 | 177.1 | 29 | -33.9 | 0 | 0 | 0 | 111.5 | L223 | P193-L223 CarbonylContact C-O 3.58Å; P193-L223 WeakPolarHBondContact CA-O 3.42Å | ||
| 194 | V | 88.1 | Confident | 87.7 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.1 | 170.3 | -179.2 | 0 | 0 | 0 | 0 | 107.3 | L85 L190 L222 L223 | L85-V194 HydrophobicContact CD2-CG2 4.17Å; L190-V194 HydrophobicContact CD1-CG2 4.22Å; L190-V194 HydrophobicContact CD2-CG2 4.15Å; V194-L222 WeakPolarHBondContact O-CA 3.4Å; V194-L223 HydrophobicContact CB-CB 4.42Å; V194-L223 PolarHBondContact N-O 3Å; V194-L223 PolarHBondContact O-N 3.48Å |
| 195 | V | 91.1 | Very high | 87.3 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.3 | 179.9 | -173.3 | 0 | 0 | 0 | 0 | 109 | C53 T58 F220 I221 L222 | C53-V195 HydrophobicContact CB-CG1 3.84Å; C53-V195 HydrophobicContact CB-CG2 4.29Å; T58-V195 PolarHBondContact N-O 2.77Å; V195-F220 HydrophobicContact CG1-CE2 4.16Å; V195-F220 HydrophobicContact CG1-CZ 4.29Å; V195-I221 CarbonylContact C-O 3.6Å; V195-I221 WeakPolarHBondContact CA-O 3.48Å; V195-L222 HydrophobicContact CG2-CD1 3.65Å |
| 196 | A | 92.5 | Very high | 87 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 130.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T58 V75 V198 F220 I221 | T58-A196 CarbonylContact O-C 3.49Å; T58-A196 VanDerWaalsContact O-CA 3.25Å; T58-A196 WeakPolarHBondContact O-CA 3.38Å; V75-A196 HydrophobicContact CB-CB 4.44Å; V75-A196 HydrophobicContact CG1-CB 3.51Å; V75-A196 HydrophobicContact CG2-CB 4Å; A196-V198 HydrophobicContact CB-CG2 4.47Å; A196-F220 CarbonylContact O-C 3.57Å; A196-F220 WeakPolarHBondContact O-CA 3.48Å; A196-I221 HydrophobicContact CB-CB 4.31Å; A196-I221 PolarHBondContact N-O 2.96Å; A196-I221 PolarHBondContact O-N 3.09Å |
| 197 | F | 94.6 | Very high | 86.3 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 120.5 | 166.8 | -177.3 | -87.2 | 0 | 0 | 0 | 108.7 | T58 V59 L60 L61 F218 F220 I239 L261 | T58-F197 PolarHBondContact O-N 2.84Å; V59-F197 WeakPolarHBondContact CA-O 3.38Å; V59-F197 HydrophobicContact CG1-CD1 4.32Å; V59-F197 HydrophobicContact CG2-CB 4.49Å; L60-F197 PolarHBondContact N-O 2.75Å; L61-F197 HydrophobicContact CD2-CD1 4.36Å; L61-F197 HydrophobicContact CD2-CE1 4.15Å; F197-F218 HydrophobicContact CE1-CD1 4.28Å; F197-F218 AromaticContact CZ-CD1 3.86Å; F197-F218 HydrophobicContact CZ-CD1 3.86Å; F197-F218 HydrophobicContact CZ-CE1 4.36Å; F197-F220 HydrophobicContact CB-CD2 4.32Å; F197-F220 HydrophobicContact CD2-CD2 4.03Å; F197-I239 HydrophobicContact CE2-CD1 4.43Å; F197-L261 HydrophobicContact CD1-CD1 3.67Å; F197-L261 HydrophobicContact CE1-CD1 3.62Å; F197-L261 HydrophobicContact CE1-CD2 4.26Å; F197-L261 HydrophobicContact CG-CD1 4.36Å; F197-L261 HydrophobicContact CZ-CD1 4.28Å; F197-L261 HydrophobicContact CZ-CD2 4.33Å |
| 198 | V | 93.2 | Very high | 85.6 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.3 | -174 | -174 | 0 | 0 | 0 | 0 | 110.2 | L60 M63 I71 V75 A196 L200 F218 L219 | L60-V198 HydrophobicContact CB-CG1 4.44Å; L60-V198 HydrophobicContact CB-CG2 4.39Å; L60-V198 HydrophobicContact CD1-CG2 4.38Å; L60-V198 CarbonylContact O-C 3.56Å; L60-V198 VanDerWaalsContact O-CA 3.31Å; L60-V198 WeakPolarHBondContact O-CA 3.45Å; M63-V198 HydrophobicContact CB-CG1 4.44Å; M63-V198 HydrophobicContact CG-CG1 4.22Å; I71-V198 HydrophobicContact CG2-CG1 4.38Å; I71-V198 HydrophobicContact CG2-CG2 4.48Å; V75-V198 HydrophobicContact CG2-CG2 3.77Å; A196-V198 HydrophobicContact CB-CG2 4.47Å; V198-L200 HydrophobicContact CG1-CD2 4.38Å; V198-F218 CarbonylContact O-C 3.57Å; V198-F218 WeakPolarHBondContact O-CA 3.38Å; V198-L219 HydrophobicContact CB-CB 4.25Å; V198-L219 PolarHBondContact N-O 2.83Å; V198-L219 PolarHBondContact O-N 2.93Å |
| 199 | R | 94.1 | Very high | 85.4 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123.5 | 167 | -179.2 | 178.1 | 78.7 | -154.5 | -0.5 | 109.7 | L60 L61 D62 M63 F218 A252 Y253 A255 | L60-R199 PolarHBondContact O-N 2.87Å; L61-R199 HydrophobicContact CD2-CB 3.85Å; D62-R199 WeakPolarHBondContact CA-O 3.35Å; D62-R199 PolarHBondContact N-O 3.05Å; D62-R199 IonicContact OD1-CZ 2.74Å; D62-R199 VanDerWaalsContact OD1-CZ 3.28Å; D62-R199 IonicContact OD1-NE 3.45Å; D62-R199 PolarHBondContact OD1-NE 3.44Å; D62-R199 IonicContact OD1-NH2 3.19Å; D62-R199 PolarHBondContact OD1-NH2 3.42Å; D62-R199 IonicContact OD2-CZ 3.21Å; D62-R199 IonicContact OD2-NE 2.61Å; D62-R199 IonicContact OD2-NH2 3.18Å; D62-R199 PolarHBondContact OD2-NH2 3.47Å; M63-R199 PolarHBondContact N-O 3.3Å; R199-F218 HydrophobicContact CB-CD1 4.02Å; R199-F218 HydrophobicContact CB-CE1 4Å; R199-F218 HydrophobicContact CG-CD1 4.06Å; R199-F218 HydrophobicContact CG-CE1 3.66Å; R199-F218 HydrophobicContact CG-CZ 4.32Å; R199-A252 PolarHBondContact NH1-O 3Å; R199-Y253 PolarHBondContact NH1-O 2.74Å; R199-A255 VanDerWaalsContact CZ-O 3.24Å; R199-A255 PolarHBondContact NH1-O 3.03Å; R199-A255 PolarHBondContact NH2-O 3.43Å |
| 200 | L | 91.6 | Very high | 85.1 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 146.9 | 175.8 | -61.9 | 172.8 | 0 | 0 | 0 | 111 | M63 A65 I71 V198 P202 V204 T216 R217 | M63-L200 HydrophobicContact CB-CD2 4.22Å; M63-L200 CarbonylContact O-C 3.53Å; M63-L200 WeakPolarHBondContact O-CA 3.34Å; A65-L200 HydrophobicContact CB-CD2 4.28Å; I71-L200 HydrophobicContact CD1-CD1 4.1Å; I71-L200 HydrophobicContact CD1-CD2 3.98Å; I71-L200 HydrophobicContact CG1-CD2 4.2Å; V198-L200 HydrophobicContact CG1-CD2 4.38Å; L200-P202 VanDerWaalsContact CB-O 3.29Å; L200-P202 WeakPolarHBondContact CB-O 3.23Å; L200-V204 HydrophobicContact CD1-CB 4.44Å; L200-T216 WeakPolarHBondContact CD1-O 3.32Å; L200-R217 PolarHBondContact N-O 2.87Å; L200-R217 WeakPolarHBondContact O-CD 3.35Å; L200-R217 PolarHBondContact O-NE 3.39Å; L200-R217 PolarHBondContact O-NH1 3.06Å; L200-R217 VanDerWaalsContact O-NH1 3.14Å; L200-R217 PolarHBondContact O-NH2 3.28Å; L200-R217 VanDerWaalsContact O-NH2 3.1Å |
| 201 | S | 85.3 | Confident | 84.6 | Confident | 44 Ų | 44 | 41.1 Ų | 41.1 | 31% | 0.308 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -45.7 | -178.4 | 173.2 | 0 | 0 | 0 | 0 | 112.8 | M63 R217 | M63-S201 PolarHBondContact O-N 3.44Å; S201-R217 VanDerWaalsContact C-NH1 3.33Å; S201-R217 PolarHBondContact O-NH1 3.06Å; S201-R217 PolarHBondContact O-NH2 3.36Å |
| 202 | P | 88.8 | Confident | 84.4 | Confident | 59 Ų | 59 | 34.5 Ų | 34.5 | 38% | 0.383 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 142.7 | 153.5 | 33.2 | -29.7 | 0 | 0 | 0 | 110.2 | L200 V204 | L200-P202 VanDerWaalsContact CB-O 3.29Å; L200-P202 WeakPolarHBondContact CB-O 3.23Å; P202-V204 HydrophobicContact CG-CG2 4.1Å; P202-V204 PolarHBondContact O-N 3.4Å |
| 203 | A | 87.3 | Confident | 84 | Confident | 30 Ų | 30 | 30.4 Ų | 30.4 | 25% | 0.248 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 129.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | E178 A215 T216 R217 | E178-A203 HydrophobicContact CG-CB 4.26Å; A203-A215 HydrophobicContact CB-CB 3.69Å; A203-T216 WeakPolarHBondContact CA-O 3.45Å; A203-R217 HydrophobicContact CB-CB 4.37Å |
| 204 | V | 88.1 | Confident | 83.9 | Confident | 20 Ų | 20 | 28.8 Ų | 28.8 | 12% | 0.121 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136.8 | -172.4 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | A65 L200 P202 L206 T216 | A65-V204 WeakPolarHBondContact O-CG2 3.42Å; L200-V204 HydrophobicContact CD1-CB 4.44Å; P202-V204 HydrophobicContact CG-CG2 4.1Å; P202-V204 PolarHBondContact O-N 3.4Å; V204-L206 HydrophobicContact CG1-CD2 4.17Å; V204-L206 PolarHBondContact O-N 2.8Å; V204-T216 PolarHBondContact N-O 2.85Å; V204-T216 PolarHBondContact O-N 3.14Å |
| 205 | L | 85.3 | Confident | 83.9 | Confident | 80 Ų | 80 | 30.1 Ų | 30.1 | 42% | 0.419 | 19% | 0.193 | S | C | . | . | trans | -75.1 | 96.2 | 173.6 | -173.8 | 71.9 | 0 | 0 | 0 | 109.7 | N207 P213 | L205-N207 PolarHBondContact O-N 3.44Å; L205-P213 VanDerWaalsContact CD1-C 3.48Å; L205-P213 HydrophobicContact CD1-CB 3.86Å; L205-P213 HydrophobicContact CD2-CB 4.49Å | ||
| 206 | L | 82.9 | Confident | 83.9 | Confident | 12 Ų | 12 | 29.5 Ų | 29.5 | 6% | 0.063 | 19% | 0.19 | C | C | . | . | trans | -83.4 | 105.9 | 174.8 | -61.4 | 175.1 | 0 | 0 | 0 | 109.2 | I71 V204 G208 L209 T216 | I71-L206 HydrophobicContact CD1-CD1 3.9Å; I71-L206 HydrophobicContact CD1-CD2 4.22Å; V204-L206 HydrophobicContact CG1-CD2 4.17Å; V204-L206 PolarHBondContact O-N 2.8Å; L206-G208 PolarHBondContact O-N 3.17Å; L206-L209 HydrophobicContact CB-CB 4.17Å; L206-L209 HydrophobicContact CB-CD1 3.55Å; L206-L209 HydrophobicContact CB-CG 4.49Å; L206-L209 HydrophobicContact CD1-CD1 3.62Å; L206-L209 HydrophobicContact CG-CD1 4.17Å; L206-L209 PolarHBondContact O-N 2.87Å; L206-T216 HydrophobicContact CD1-CG2 4.09Å | ||
| 207 | N | 72.7 | Confident | 83.9 | Confident | 118 Ų | 118 | 31.2 Ų | 31.2 | 63% | 0.631 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 128.8 | -177.4 | -72.6 | -21.8 | 0 | 0 | 0 | 111 | L205 L209 | L205-N207 PolarHBondContact O-N 3.44Å; N207-L209 PolarHBondContact O-N 3.44Å |
| 208 | G | 70.6 | Confident | 83.8 | Confident | 47 Ų | 47 | 31.2 Ų | 31.2 | 49% | 0.485 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -15.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | H101 H103 L206 | H101-G208 VanDerWaalsContact CB-O 3.27Å; H101-G208 WeakPolarHBondContact CB-O 3.3Å; H103-G208 PolarHBondContact NE2-O 2.97Å; L206-G208 PolarHBondContact O-N 3.17Å |
| 209 | L | 76.8 | Confident | 83.8 | Confident | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -27.5 | -177.1 | -100.4 | 154.1 | 0 | 0 | 0 | 114.6 | I68 H101 L183 L206 N207 | I68-L209 HydrophobicContact CB-CD1 4.06Å; I68-L209 HydrophobicContact CD1-CD1 3.9Å; I68-L209 HydrophobicContact CG1-CD1 3.96Å; H101-L209 WeakPolarHBondContact CE1-CD2 3.5Å; L183-L209 HydrophobicContact CD1-CD2 4.25Å; L183-L209 HydrophobicContact CD2-CD2 4.1Å; L206-L209 HydrophobicContact CB-CB 4.17Å; L206-L209 HydrophobicContact CB-CD1 3.55Å; L206-L209 HydrophobicContact CB-CG 4.49Å; L206-L209 HydrophobicContact CD1-CD1 3.62Å; L206-L209 HydrophobicContact CG-CD1 4.17Å; L206-L209 PolarHBondContact O-N 2.87Å; N207-L209 PolarHBondContact O-N 3.44Å |
| 210 | A | 76.1 | Confident | 83.9 | Confident | 30 Ų | 30 | 31 Ų | 31 | 25% | 0.248 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -122.9 | 148.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V212 | A210-V212 WeakPolarHBondContact CB-O 3.46Å; A210-V212 PolarHBondContact O-N 3.49Å |
| 211 | E | 71.4 | Confident | 84 | Confident | 36 Ų | 36 | 31 Ų | 31 | 17% | 0.168 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -57.3 | -30.9 | 176.7 | -175.7 | -176.5 | -167.5 | 0 | 0 | 112 | R19 H103 N105 | R19-E211 IonicContact NH1-OE2 3.31Å; H103-E211 HydrophobicContact CB-CB 4.25Å; H103-E211 HydrophobicContact CB-CG 4.24Å; H103-E211 PolarHBondContact CE1-N 2.81Å; N105-E211 WeakPolarHBondContact CB-OE1 3.08Å; N105-E211 PolarHBondContact ND2-OE1 2.75Å |
| 212 | V | 73.3 | Confident | 84.3 | Confident | 8 Ų | 8 | 29 Ų | 29 | 5% | 0.048 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -121.1 | 144.8 | -174.3 | 176.7 | 0 | 0 | 0 | 0 | 109.7 | F169 M170 A210 I214 | F169-V212 HydrophobicContact CD1-CG2 3.57Å; F169-V212 HydrophobicContact CE1-CG2 4.07Å; M170-V212 HydrophobicContact CE-CG1 4.23Å; M170-V212 HydrophobicContact CG-CG1 3.4Å; M170-V212 HydrophobicContact SD-CG1 3.08Å; M170-V212 WeakPolarHBondContact SD-CG1 3.44Å; A210-V212 WeakPolarHBondContact CB-O 3.46Å; A210-V212 PolarHBondContact O-N 3.49Å; V212-I214 VanDerWaalsContact C-N 3.25Å; V212-I214 HydrophobicContact CB-CD1 4.24Å; V212-I214 HydrophobicContact CB-CG1 4.22Å; V212-I214 HydrophobicContact CG1-CD1 4.08Å; V212-I214 HydrophobicContact CG1-CG1 3.83Å; V212-I214 PolarHBondContact O-N 2.8Å |
| 213 | P | 74.4 | Confident | 84.4 | Confident | 57 Ų | 57 | 26.1 Ų | 26.1 | 37% | 0.37 | 16% | 0.163 | S | C | . | . | trans | -72.6 | 77.7 | -178.6 | 30.9 | -37.6 | 0 | 0 | 0 | 112 | I165 L205 | I165-P213 HydrophobicContact CD1-CG 4.44Å; L205-P213 VanDerWaalsContact CD1-C 3.48Å; L205-P213 HydrophobicContact CD1-CB 3.86Å; L205-P213 HydrophobicContact CD2-CB 4.49Å | ||
| 214 | I | 83.6 | Confident | 84.5 | Confident | 31 Ų | 31 | 24.7 Ų | 24.7 | 16% | 0.159 | 15% | 0.151 | C | C | . | . | trans | -110.7 | 135.3 | 175.8 | -55.1 | 173.9 | 0 | 0 | 0 | 107.9 | I173 A177 A179 V212 T216 | I173-I214 HydrophobicContact CD1-CD1 3.5Å; I173-I214 HydrophobicContact CG2-CD1 4.3Å; A177-I214 VanDerWaalsContact O-CG2 3.29Å; A177-I214 WeakPolarHBondContact O-CG2 3.42Å; A179-I214 HydrophobicContact CB-CB 4.23Å; A179-I214 HydrophobicContact CB-CG2 3.87Å; V212-I214 VanDerWaalsContact C-N 3.25Å; V212-I214 HydrophobicContact CB-CD1 4.24Å; V212-I214 HydrophobicContact CB-CG1 4.22Å; V212-I214 HydrophobicContact CG1-CD1 4.08Å; V212-I214 HydrophobicContact CG1-CG1 3.83Å; V212-I214 PolarHBondContact O-N 2.8Å; I214-T216 PolarHBondContact O-N 3.25Å | ||
| 215 | A | 88.5 | Confident | 84.4 | Confident | 31 Ų | 31 | 25.3 Ų | 25.3 | 26% | 0.256 | 16% | 0.155 | S | C | . | . | trans | -66.8 | 128 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110 | E178 A179 A203 | E178-A215 WeakPolarHBondContact CA-O 3.48Å; A179-A215 PolarHBondContact N-O 2.91Å; A203-A215 HydrophobicContact CB-CB 3.69Å | ||
| 216 | T | 90.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129.5 | 177.5 | -56.6 | 0 | 0 | 0 | 0 | 109.5 | A179 N181 L200 A203 V204 L206 I214 F218 | A179-T216 WeakPolarHBondContact O-CA 3.38Å; N181-T216 HydrophobicContact CB-CG2 4.35Å; N181-T216 WeakPolarHBondContact ND2-CG2 3.33Å; N181-T216 PolarHBondContact ND2-OG1 2.92Å; L200-T216 WeakPolarHBondContact CD1-O 3.32Å; A203-T216 WeakPolarHBondContact CA-O 3.45Å; V204-T216 PolarHBondContact N-O 2.85Å; V204-T216 PolarHBondContact O-N 3.14Å; L206-T216 HydrophobicContact CD1-CG2 4.09Å; I214-T216 PolarHBondContact O-N 3.25Å; T216-F218 WeakPolarHBondContact CG2-O 3.44Å |
| 217 | R | 92.3 | Very high | 84.1 | Confident | 35 Ų | 35 | 28.8 Ų | 28.8 | 13% | 0.132 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -40.4 | 176.1 | -179.7 | 68.3 | -179.5 | -172.4 | 12.8 | 112.5 | E178 A179 L200 S201 A203 Y253 | E178-R217 HydrophobicContact CB-CB 3.94Å; E178-R217 WeakPolarHBondContact OE2-CB 3.37Å; E178-R217 VanDerWaalsContact OE2-CD 3.26Å; E178-R217 WeakPolarHBondContact OE2-CD 3.22Å; E178-R217 WeakPolarHBondContact OE2-CG 3.35Å; A179-R217 PolarHBondContact O-N 3.48Å; L200-R217 PolarHBondContact N-O 2.87Å; L200-R217 WeakPolarHBondContact O-CD 3.35Å; L200-R217 PolarHBondContact O-NE 3.39Å; L200-R217 PolarHBondContact O-NH1 3.06Å; L200-R217 VanDerWaalsContact O-NH1 3.14Å; L200-R217 PolarHBondContact O-NH2 3.28Å; L200-R217 VanDerWaalsContact O-NH2 3.1Å; S201-R217 VanDerWaalsContact C-NH1 3.33Å; S201-R217 PolarHBondContact O-NH1 3.06Å; S201-R217 PolarHBondContact O-NH2 3.36Å; A203-R217 HydrophobicContact CB-CB 4.37Å; R217-Y253 HydrophobicContact CG-CE1 4.01Å |
| 218 | F | 94.1 | Very high | 84.6 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143.3 | -178.1 | -59.8 | -87.3 | 0 | 0 | 0 | 110.4 | A179 C180 N181 F197 V198 R199 T216 M243 A252 Y253 | A179-F218 PolarHBondContact O-N 3.11Å; C180-F218 WeakPolarHBondContact CA-O 3.25Å; C180-F218 HydrophobicContact CB-CB 4.08Å; N181-F218 PolarHBondContact N-O 3.4Å; F197-F218 HydrophobicContact CE1-CD1 4.28Å; F197-F218 AromaticContact CZ-CD1 3.86Å; F197-F218 HydrophobicContact CZ-CD1 3.86Å; F197-F218 HydrophobicContact CZ-CE1 4.36Å; V198-F218 CarbonylContact O-C 3.57Å; V198-F218 WeakPolarHBondContact O-CA 3.38Å; R199-F218 HydrophobicContact CB-CD1 4.02Å; R199-F218 HydrophobicContact CB-CE1 4Å; R199-F218 HydrophobicContact CG-CD1 4.06Å; R199-F218 HydrophobicContact CG-CE1 3.66Å; R199-F218 HydrophobicContact CG-CZ 4.32Å; T216-F218 WeakPolarHBondContact CG2-O 3.44Å; F218-M243 HydrophobicContact CB-CE 3.99Å; F218-M243 HydrophobicContact CD1-CE 4.03Å; F218-M243 HydrophobicContact CD2-CE 3.39Å; F218-M243 HydrophobicContact CE1-CE 4.33Å; F218-M243 HydrophobicContact CE2-CE 3.76Å; F218-M243 HydrophobicContact CG-CE 3.54Å; F218-M243 HydrophobicContact CZ-CE 4.22Å; F218-A252 HydrophobicContact CE1-CB 4.01Å; F218-A252 HydrophobicContact CZ-CB 4.16Å; F218-Y253 HydrophobicContact CE2-CD2 4.05Å; F218-Y253 HydrophobicContact CE2-CE1 4.08Å; F218-Y253 AromaticContact CE2-CE2 3.48Å; F218-Y253 HydrophobicContact CE2-CE2 3.48Å; F218-Y253 VanDerWaalsContact CE2-CE2 3.48Å; F218-Y253 AromaticContact CE2-CZ 3.53Å; F218-Y253 HydrophobicContact CZ-CD1 4.23Å; F218-Y253 AromaticContact CZ-CD2 3.86Å; F218-Y253 HydrophobicContact CZ-CD2 3.86Å; F218-Y253 HydrophobicContact CZ-CE1 4.2Å; F218-Y253 AromaticContact CZ-CE2 3.78Å; F218-Y253 HydrophobicContact CZ-CE2 3.78Å; F218-Y253 HydrophobicContact CZ-CG 4.07Å; F218-Y253 AromaticContact CZ-CZ 4Å |
| 219 | L | 93.4 | Very high | 85.1 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 125.4 | 174.4 | -175.1 | 72 | 0 | 0 | 0 | 108.9 | I68 I71 N181 L183 V198 I221 | I68-L219 HydrophobicContact CD1-CD2 4Å; I71-L219 HydrophobicContact CG2-CD2 3.7Å; N181-L219 HydrophobicContact CB-CD1 3.54Å; N181-L219 CarbonylContact O-C 3.55Å; N181-L219 WeakPolarHBondContact O-CA 3.41Å; L183-L219 HydrophobicContact CD1-CD1 4Å; L183-L219 HydrophobicContact CG-CD1 4.13Å; V198-L219 HydrophobicContact CB-CB 4.25Å; V198-L219 PolarHBondContact N-O 2.83Å; V198-L219 PolarHBondContact O-N 2.93Å; L219-I221 HydrophobicContact CD2-CD1 3.83Å; L219-I221 HydrophobicContact CD2-CG1 4.1Å; L219-I221 HydrophobicContact CG-CD1 4.3Å; L219-I221 HydrophobicContact CG-CG1 4.02Å |
| 220 | F | 95 | Very high | 85.5 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.5 | 171.4 | -177.7 | -99 | 0 | 0 | 0 | 109.3 | L50 N181 V182 L183 V195 A196 F197 L222 I235 I239 | L50-F220 HydrophobicContact CD1-CE2 4.01Å; L50-F220 HydrophobicContact CD1-CZ 3.73Å; N181-F220 PolarHBondContact O-N 2.87Å; V182-F220 HydrophobicContact CG1-CD1 4.06Å; V182-F220 HydrophobicContact CG2-CB 4.49Å; L183-F220 PolarHBondContact N-O 3.27Å; V195-F220 HydrophobicContact CG1-CE2 4.16Å; V195-F220 HydrophobicContact CG1-CZ 4.29Å; A196-F220 CarbonylContact O-C 3.57Å; A196-F220 WeakPolarHBondContact O-CA 3.48Å; F197-F220 HydrophobicContact CB-CD2 4.32Å; F197-F220 HydrophobicContact CD2-CD2 4.03Å; F220-L222 HydrophobicContact CE1-CB 3.8Å; F220-L222 HydrophobicContact CE1-CD2 4.39Å; F220-L222 HydrophobicContact CZ-CB 4.37Å; F220-I235 HydrophobicContact CE1-CG2 4.34Å; F220-I235 HydrophobicContact CZ-CG2 4.27Å; F220-I239 HydrophobicContact CB-CG2 4.42Å; F220-I239 HydrophobicContact CD1-CG2 3.63Å; F220-I239 HydrophobicContact CD2-CG1 4.31Å; F220-I239 HydrophobicContact CE1-CG2 3.9Å; F220-I239 HydrophobicContact CG-CG1 4.29Å; F220-I239 HydrophobicContact CG-CG2 3.97Å; F220-I239 HydrophobicContact CZ-CG2 4.48Å |
| 221 | I | 93.6 | Very high | 86.1 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126 | -178.7 | -54.8 | 173.9 | 0 | 0 | 0 | 108.4 | L97 L183 V195 A196 L219 L223 | L97-I221 HydrophobicContact CD1-CD1 4.41Å; L97-I221 HydrophobicContact CD2-CD1 4.05Å; L97-I221 HydrophobicContact CD2-CG2 3.86Å; L183-I221 HydrophobicContact CD1-CG1 4.43Å; L183-I221 CarbonylContact O-C 3.44Å; L183-I221 WeakPolarHBondContact O-CA 3.26Å; V195-I221 CarbonylContact C-O 3.6Å; V195-I221 WeakPolarHBondContact CA-O 3.48Å; A196-I221 HydrophobicContact CB-CB 4.31Å; A196-I221 PolarHBondContact N-O 2.96Å; A196-I221 PolarHBondContact O-N 3.09Å; L219-I221 HydrophobicContact CD2-CD1 3.83Å; L219-I221 HydrophobicContact CD2-CG1 4.1Å; L219-I221 HydrophobicContact CG-CD1 4.3Å; L219-I221 HydrophobicContact CG-CG1 4.02Å; I221-L223 HydrophobicContact CG2-CD1 4.17Å; I221-L223 HydrophobicContact CG2-CG 4.09Å |
| 222 | L | 92.9 | Very high | 86.9 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 104.4 | 174.4 | 175.3 | 62.3 | 0 | 0 | 0 | 109.9 | L183 V184 G185 V194 V195 F220 Y232 I235 | L183-L222 PolarHBondContact O-N 2.63Å; V184-L222 CarbonylContact C-O 3.52Å; V184-L222 VanDerWaalsContact CA-O 3.28Å; V184-L222 WeakPolarHBondContact CA-O 3.32Å; V184-L222 HydrophobicContact CG1-CD2 4.48Å; V184-L222 HydrophobicContact CG2-CB 4.41Å; G185-L222 PolarHBondContact N-O 3.31Å; V194-L222 WeakPolarHBondContact O-CA 3.4Å; V195-L222 HydrophobicContact CG2-CD1 3.65Å; F220-L222 HydrophobicContact CE1-CB 3.8Å; F220-L222 HydrophobicContact CE1-CD2 4.39Å; F220-L222 HydrophobicContact CZ-CB 4.37Å; L222-Y232 HydrophobicContact CD1-CD1 4.31Å; L222-Y232 HydrophobicContact CD2-CD1 3.87Å; L222-Y232 HydrophobicContact CD2-CG 4.33Å; L222-Y232 HydrophobicContact CG-CD1 4.09Å; L222-Y232 HydrophobicContact CG-CG 4.46Å; L222-I235 HydrophobicContact CD2-CB 3.76Å; L222-I235 HydrophobicContact CD2-CD1 3.98Å; L222-I235 HydrophobicContact CD2-CG2 3.57Å |
| 223 | L | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.8 | 177.9 | -64.3 | 172.1 | 0 | 0 | 0 | 109.5 | I4 W14 V93 L97 G185 L187 L190 P193 V194 I221 | I4-L223 HydrophobicContact CG2-CD2 4.32Å; W14-L223 HydrophobicContact CH2-CD2 3.85Å; W14-L223 HydrophobicContact CZ2-CD2 4.3Å; V93-L223 HydrophobicContact CG1-CD1 4.11Å; L97-L223 HydrophobicContact CD2-CD1 4.08Å; L97-L223 HydrophobicContact CG-CD1 4.41Å; G185-L223 WeakPolarHBondContact O-CA 3.22Å; L187-L223 HydrophobicContact CD1-CB 4.1Å; L187-L223 HydrophobicContact CD1-CD1 3.95Å; L187-L223 HydrophobicContact CD1-CD2 4.07Å; L187-L223 HydrophobicContact CD1-CG 4.27Å; L187-L223 HydrophobicContact CG-CD2 4.44Å; L190-L223 HydrophobicContact CD1-CB 3.82Å; P193-L223 CarbonylContact C-O 3.58Å; P193-L223 WeakPolarHBondContact CA-O 3.42Å; V194-L223 HydrophobicContact CB-CB 4.42Å; V194-L223 PolarHBondContact N-O 3Å; V194-L223 PolarHBondContact O-N 3.48Å; I221-L223 HydrophobicContact CG2-CD1 4.17Å; I221-L223 HydrophobicContact CG2-CG 4.09Å |
| 224 | G | 88.6 | Confident | 88.5 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 172.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | G185 E186 L187 | G185-G224 PolarHBondContact O-N 3.3Å; E186-G224 CarbonylContact C-O 3.59Å; E186-G224 WeakPolarHBondContact CA-O 3.29Å; L187-G224 PolarHBondContact N-O 3.03Å |
| 225 | P | 87 | Confident | 88.9 | Confident | 33 Ų | 33 | 33.1 Ų | 33.1 | 21% | 0.214 | 20% | 0.197 | C | C | . | . | trans | -60.5 | 161.1 | 172.1 | 23.5 | -34.7 | 0 | 0 | 0 | 113.1 | L190 Y232 | L190-P225 WeakPolarHBondContact O-CA 3.12Å; L190-P225 VanDerWaalsContact O-CB 3.28Å; L190-P225 WeakPolarHBondContact O-CB 3.16Å; P225-Y232 WeakPolarHBondContact CD-OH 3.41Å | ||
| 226 | L | 81.5 | Confident | 89.1 | Confident | 93 Ų | 93 | 31.6 Ų | 31.6 | 49% | 0.487 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 144.2 | 174 | -68.8 | 168.8 | 0 | 0 | 0 | 112.8 | L6 E186 E188 | L6-L226 HydrophobicContact CD1-CD2 4.49Å; E186-L226 HydrophobicContact CB-CD2 4.08Å; E188-L226 HydrophobicContact CB-CD1 3.83Å; E188-L226 HydrophobicContact CB-CG 4.42Å; E188-L226 HydrophobicContact CG-CD1 3.77Å |
| 227 | G | 79.9 | Confident | 89.2 | Confident | 72 Ų | 72 | 32.4 Ų | 32.4 | 74% | 0.742 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 104 | 4.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | E186 | E186-G227 PolarHBondContact OE1-N 3.28Š|
| 228 | R | 82.5 | Confident | 89.2 | Confident | 139 Ų | 139 | 30.8 Ų | 30.8 | 53% | 0.525 | 18% | 0.182 | S | C | . | . | trans | -129.6 | 20.1 | 179.2 | -66.5 | -172.7 | -177.7 | -160.9 | 3.2 | 113.7 | E186 A230 Q231 Y232 | E186-R228 PolarHBondContact OE1-N 2.89Å; R228-A230 VanDerWaalsContact C-N 3.35Å; R228-A230 PolarHBondContact O-N 3.42Å; R228-Q231 HydrophobicContact CB-CB 4.49Å; R228-Q231 WeakPolarHBondContact O-CA 3.3Å; R228-Q231 WeakPolarHBondContact O-CB 3.33Å; R228-Q231 PolarHBondContact O-N 3.4Å; R228-Y232 HydrophobicContact CB-CD2 4.35Å; R228-Y232 HydrophobicContact CB-CE1 4.21Å; R228-Y232 HydrophobicContact CB-CE2 3.76Å; R228-Y232 WeakPolarHBondContact O-CD2 3.49Å; R228-Y232 PolarHBondContact O-N 3.22Å | ||
| 229 | G | 82.3 | Confident | 89.2 | Confident | 26 Ų | 26 | 30.6 Ų | 30.6 | 27% | 0.268 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.3 | -42.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113 | E186 Q231 Y232 H233 | E186-G229 VanDerWaalsContact CD-CA 3.45Å; E186-G229 VanDerWaalsContact OE1-CA 3.22Å; E186-G229 WeakPolarHBondContact OE1-CA 3.37Å; E186-G229 PolarHBondContact OE1-N 3.44Å; G229-Q231 VanDerWaalsContact C-N 3.29Å; G229-Q231 PolarHBondContact O-N 3.21Å; G229-Y232 PolarHBondContact O-N 3.21Å; G229-H233 WeakPolarHBondContact O-CB 3.38Å; G229-H233 PolarHBondContact O-N 3.13Å |
| 230 | A | 84.7 | Confident | 89.1 | Confident | 80 Ų | 80 | 30.9 Ų | 30.9 | 66% | 0.661 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -61.3 | -35.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R228 E234 | R228-A230 VanDerWaalsContact C-N 3.35Å; R228-A230 PolarHBondContact O-N 3.42Å; A230-E234 VanDerWaalsContact O-CG 3.32Å; A230-E234 WeakPolarHBondContact O-CG 3.49Å; A230-E234 PolarHBondContact O-N 3.34Å; A230-E234 VanDerWaalsContact O-N 3.09Å |
| 231 | Q | 87.8 | Confident | 88.9 | Confident | 68 Ų | 68 | 31.8 Ų | 31.8 | 32% | 0.318 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.5 | -43.5 | 176 | -64.3 | 176.4 | -19.4 | 0 | 0 | 110.8 | R228 G229 H233 E234 I235 | R228-Q231 HydrophobicContact CB-CB 4.49Å; R228-Q231 WeakPolarHBondContact O-CA 3.3Å; R228-Q231 WeakPolarHBondContact O-CB 3.33Å; R228-Q231 PolarHBondContact O-N 3.4Å; G229-Q231 VanDerWaalsContact C-N 3.29Å; G229-Q231 PolarHBondContact O-N 3.21Å; Q231-H233 VanDerWaalsContact C-N 3.33Å; Q231-H233 PolarHBondContact O-N 2.81Å; Q231-E234 PolarHBondContact O-N 2.77Å; Q231-I235 VanDerWaalsContact O-CG1 3.26Å; Q231-I235 WeakPolarHBondContact O-CG1 3.4Å; Q231-I235 PolarHBondContact O-N 3.17Å |
| 232 | Y | 90.1 | Very high | 88.8 | Confident | 13 Ų | 13 | 31.7 Ų | 31.7 | 5% | 0.051 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 177.4 | -58.8 | -35.2 | 0 | 0 | 0 | 111.7 | V184 E186 L222 P225 R228 G229 E234 I235 G236 | V184-Y232 VanDerWaalsContact CG1-CB 3.46Å; V184-Y232 WeakPolarHBondContact CG1-O 3.4Å; E186-Y232 HydrophobicContact CG-CD2 3.95Å; E186-Y232 HydrophobicContact CG-CE2 4.16Å; L222-Y232 HydrophobicContact CD1-CD1 4.31Å; L222-Y232 HydrophobicContact CD2-CD1 3.87Å; L222-Y232 HydrophobicContact CD2-CG 4.33Å; L222-Y232 HydrophobicContact CG-CD1 4.09Å; L222-Y232 HydrophobicContact CG-CG 4.46Å; P225-Y232 WeakPolarHBondContact CD-OH 3.41Å; R228-Y232 HydrophobicContact CB-CD2 4.35Å; R228-Y232 HydrophobicContact CB-CE1 4.21Å; R228-Y232 HydrophobicContact CB-CE2 3.76Å; R228-Y232 WeakPolarHBondContact O-CD2 3.49Å; R228-Y232 PolarHBondContact O-N 3.22Å; G229-Y232 PolarHBondContact O-N 3.21Å; Y232-E234 PolarHBondContact O-N 3.08Å; Y232-I235 HydrophobicContact CD1-CD1 4.35Å; Y232-I235 PolarHBondContact O-N 3.11Å; Y232-G236 PolarHBondContact O-N 3.31Å |
| 233 | H | 90.2 | Very high | 88.7 | Confident | 43 Ų | 43 | 32.3 Ų | 32.3 | 20% | 0.199 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.7 | -51.2 | 173.2 | 179.5 | 79.4 | 0 | 0 | 0 | 111.7 | M1 E3 G229 Q231 I235 G236 R237 | M1-H233 VanDerWaalsContact CE-CE1 3.41Å; M1-H233 WeakPolarHBondContact CE-CE1 3.46Å; M1-H233 WeakPolarHBondContact CE-ND1 3.26Å; E3-H233 VanDerWaalsContact CD-ND1 3.31Å; E3-H233 IonicContact OE1-CE1 2.74Å; E3-H233 PolarHBondContact OE1-CE1 2.92Å; E3-H233 IonicContact OE1-CG 3.24Å; E3-H233 IonicContact OE1-ND1 2.64Å; E3-H233 PolarHBondContact OE1-ND1 3.31Å; E3-H233 IonicContact OE2-ND1 3.61Å; G229-H233 WeakPolarHBondContact O-CB 3.38Å; G229-H233 PolarHBondContact O-N 3.13Å; Q231-H233 VanDerWaalsContact C-N 3.33Å; Q231-H233 PolarHBondContact O-N 2.81Å; H233-I235 VanDerWaalsContact C-N 3.34Å; H233-I235 PolarHBondContact O-N 3.17Å; H233-G236 WeakPolarHBondContact O-CA 3.23Å; H233-G236 PolarHBondContact O-N 3.02Å; H233-G236 VanDerWaalsContact O-N 3.11Å; H233-R237 VanDerWaalsContact NE2-CD 3.25Å; H233-R237 WeakPolarHBondContact NE2-CD 3.25Å; H233-R237 WeakPolarHBondContact O-CG 3.33Å; H233-R237 PolarHBondContact O-N 3.33Å |
| 234 | E | 89.8 | Confident | 88.5 | Confident | 48 Ų | 48 | 34.9 Ų | 34.9 | 22% | 0.224 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.6 | -35.2 | 178.6 | -71.1 | -64.2 | 125.7 | 0 | 0 | 113.3 | A230 Q231 Y232 R237 S238 | A230-E234 VanDerWaalsContact O-CG 3.32Å; A230-E234 WeakPolarHBondContact O-CG 3.49Å; A230-E234 PolarHBondContact O-N 3.34Å; A230-E234 VanDerWaalsContact O-N 3.09Å; Q231-E234 PolarHBondContact O-N 2.77Å; Y232-E234 PolarHBondContact O-N 3.08Å; E234-R237 VanDerWaalsContact CD-NH1 3.29Å; E234-R237 PolarHBondContact O-N 3.43Å; E234-R237 IonicContact OE1-CZ 2.73Å; E234-R237 IonicContact OE1-NH1 3.75Å; E234-R237 PolarHBondContact OE1-NH1 2.87Å; E234-R237 IonicContact OE2-NH1 3.89Å; E234-R237 PolarHBondContact OE2-NH1 3.48Å; E234-R237 VanDerWaalsContact OE2-NH1 3.14Å; E234-S238 WeakPolarHBondContact O-CB 3.37Å; E234-S238 PolarHBondContact O-N 3.24Å; E234-S238 PolarHBondContact O-OG 2.83Å |
| 235 | I | 92.7 | Very high | 88.4 | Confident | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.8 | -41.8 | 173 | -66.4 | 162.6 | 0 | 0 | 0 | 110.4 | E49 L50 F220 L222 Q231 Y232 H233 S238 I239 | E49-I235 HydrophobicContact CB-CD1 3.8Å; E49-I235 HydrophobicContact CB-CG1 3.95Å; L50-I235 HydrophobicContact CB-CG2 4.1Å; L50-I235 HydrophobicContact CD1-CG2 3.9Å; F220-I235 HydrophobicContact CE1-CG2 4.34Å; F220-I235 HydrophobicContact CZ-CG2 4.27Å; L222-I235 HydrophobicContact CD2-CB 3.76Å; L222-I235 HydrophobicContact CD2-CD1 3.98Å; L222-I235 HydrophobicContact CD2-CG2 3.57Å; Q231-I235 VanDerWaalsContact O-CG1 3.26Å; Q231-I235 WeakPolarHBondContact O-CG1 3.4Å; Q231-I235 PolarHBondContact O-N 3.17Å; Y232-I235 HydrophobicContact CD1-CD1 4.35Å; Y232-I235 PolarHBondContact O-N 3.11Å; H233-I235 VanDerWaalsContact C-N 3.34Å; H233-I235 PolarHBondContact O-N 3.17Å; I235-S238 WeakPolarHBondContact O-CB 3.44Å; I235-S238 PolarHBondContact O-N 3.42Å; I235-I239 PolarHBondContact O-N 3.29Å |
| 236 | G | 92.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59 | -48.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 Y232 H233 S238 I239 A240 | M1-G236 VanDerWaalsContact SD-C 3.59Å; Y232-G236 PolarHBondContact O-N 3.31Å; H233-G236 WeakPolarHBondContact O-CA 3.23Å; H233-G236 PolarHBondContact O-N 3.02Å; H233-G236 VanDerWaalsContact O-N 3.11Å; G236-S238 VanDerWaalsContact C-N 3.28Å; G236-S238 PolarHBondContact O-N 3.32Å; G236-I239 VanDerWaalsContact O-CG2 3.23Å; G236-I239 WeakPolarHBondContact O-CG2 3.37Å; G236-I239 PolarHBondContact O-N 3.12Å; G236-A240 WeakPolarHBondContact O-CB 3.43Å; G236-A240 PolarHBondContact O-N 2.97Å |
| 237 | R | 91.8 | Very high | 88.4 | Confident | 17 Ų | 17 | 34.7 Ų | 34.7 | 6% | 0.064 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.2 | -39.5 | 174.5 | -69.5 | -179.2 | 61.7 | -130 | -6.6 | 111.9 | M1 W20 E24 T41 L42 H233 E234 A240 T241 | M1-R237 HydrophobicContact CE-CG 3.87Å; M1-R237 HydrophobicContact SD-CG 4.11Å; W20-R237 HydrophobicContact CH2-CB 4.48Å; W20-R237 HydrophobicContact CH2-CG 4.11Å; W20-R237 HydrophobicContact CZ2-CB 4.11Å; W20-R237 HydrophobicContact CZ2-CG 4.03Å; E24-R237 VanDerWaalsContact CD-NH2 3.35Å; E24-R237 IonicContact OE1-CZ 3.72Å; E24-R237 VanDerWaalsContact OE1-CZ 3.31Å; E24-R237 IonicContact OE1-NE 3.92Å; E24-R237 PolarHBondContact OE1-NE 3.38Å; E24-R237 IonicContact OE1-NH2 3.33Å; E24-R237 PolarHBondContact OE1-NH2 3.26Å; E24-R237 VanDerWaalsContact OE1-NH2 3.09Å; E24-R237 IonicContact OE2-CZ 3.6Å; E24-R237 IonicContact OE2-NE 3.69Å; E24-R237 IonicContact OE2-NH2 3.57Å; E24-R237 PolarHBondContact OE2-NH2 3.03Å; T41-R237 PolarHBondContact O-NH1 2.65Å; T41-R237 PolarHBondContact O-NH2 3.33Å; L42-R237 HydrophobicContact CD2-CB 4.37Å; H233-R237 VanDerWaalsContact NE2-CD 3.25Å; H233-R237 WeakPolarHBondContact NE2-CD 3.25Å; H233-R237 WeakPolarHBondContact O-CG 3.33Å; H233-R237 PolarHBondContact O-N 3.33Å; E234-R237 VanDerWaalsContact CD-NH1 3.29Å; E234-R237 PolarHBondContact O-N 3.43Å; E234-R237 IonicContact OE1-CZ 2.73Å; E234-R237 IonicContact OE1-NH1 3.75Å; E234-R237 PolarHBondContact OE1-NH1 2.87Å; E234-R237 IonicContact OE2-NH1 3.89Å; E234-R237 PolarHBondContact OE2-NH1 3.48Å; E234-R237 VanDerWaalsContact OE2-NH1 3.14Å; R237-A240 PolarHBondContact O-N 3.3Å; R237-T241 WeakPolarHBondContact O-CB 3.18Å; R237-T241 PolarHBondContact O-N 2.93Å; R237-T241 PolarHBondContact O-OG1 2.97Å |
| 238 | S | 92.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63 | -49.9 | 178.6 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | S46 E234 I235 G236 T241 L242 | S46-S238 WeakPolarHBondContact CB-OG 3.32Å; S46-S238 PolarHBondContact OG-OG 3.44Å; E234-S238 WeakPolarHBondContact O-CB 3.37Å; E234-S238 PolarHBondContact O-N 3.24Å; E234-S238 PolarHBondContact O-OG 2.83Å; I235-S238 WeakPolarHBondContact O-CB 3.44Å; I235-S238 PolarHBondContact O-N 3.42Å; G236-S238 VanDerWaalsContact C-N 3.28Å; G236-S238 PolarHBondContact O-N 3.32Å; S238-T241 PolarHBondContact O-N 3.45Å; S238-L242 WeakPolarHBondContact O-CB 3.36Å; S238-L242 WeakPolarHBondContact O-CG 3.35Å; S238-L242 PolarHBondContact O-N 3.04Å |
| 239 | I | 93.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.9 | -36.2 | 178.6 | -171.8 | 60.8 | 0 | 0 | 0 | 111.6 | L50 V182 F197 F220 I235 G236 T241 L242 M243 F248 | L50-I239 HydrophobicContact CD1-CB 3.87Å; L50-I239 HydrophobicContact CD1-CD1 4.38Å; L50-I239 HydrophobicContact CD1-CG1 4.41Å; L50-I239 HydrophobicContact CD2-CB 3.81Å; L50-I239 HydrophobicContact CD2-CD1 4.13Å; V182-I239 HydrophobicContact CG1-CG2 3.86Å; V182-I239 HydrophobicContact CG2-CG2 4.18Å; F197-I239 HydrophobicContact CE2-CD1 4.43Å; F220-I239 HydrophobicContact CB-CG2 4.42Å; F220-I239 HydrophobicContact CD1-CG2 3.63Å; F220-I239 HydrophobicContact CD2-CG1 4.31Å; F220-I239 HydrophobicContact CE1-CG2 3.9Å; F220-I239 HydrophobicContact CG-CG1 4.29Å; F220-I239 HydrophobicContact CG-CG2 3.97Å; F220-I239 HydrophobicContact CZ-CG2 4.48Å; I235-I239 PolarHBondContact O-N 3.29Å; G236-I239 VanDerWaalsContact O-CG2 3.23Å; G236-I239 WeakPolarHBondContact O-CG2 3.37Å; G236-I239 PolarHBondContact O-N 3.12Å; I239-T241 VanDerWaalsContact C-N 3.31Å; I239-T241 PolarHBondContact O-N 3.49Å; I239-L242 HydrophobicContact CD1-CB 4.49Å; I239-L242 HydrophobicContact CD1-CD1 4.5Å; I239-L242 PolarHBondContact O-N 3.21Å; I239-M243 HydrophobicContact CD1-CG 4.45Å; I239-M243 HydrophobicContact CG1-CG 4.46Å; I239-M243 VanDerWaalsContact O-CG 3.26Å; I239-M243 WeakPolarHBondContact O-CG 3.27Å; I239-M243 PolarHBondContact O-N 2.78Å; I239-F248 HydrophobicContact CD1-CE1 4.08Å; I239-F248 HydrophobicContact CD1-CZ 4.28Å |
| 240 | A | 91.8 | Very high | 89.4 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 7% | 0.066 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W20 V182 G236 R237 M243 T244 | W20-A240 HydrophobicContact CD2-CB 3.67Å; W20-A240 HydrophobicContact CE3-CB 3.46Å; W20-A240 VanDerWaalsContact CE3-CB 3.46Å; W20-A240 HydrophobicContact CH2-CB 3.67Å; W20-A240 HydrophobicContact CZ2-CB 3.82Å; W20-A240 HydrophobicContact CZ3-CB 3.5Å; W20-A240 VanDerWaalsContact CZ3-CB 3.5Å; V182-A240 HydrophobicContact CG2-CB 4.18Å; G236-A240 WeakPolarHBondContact O-CB 3.43Å; G236-A240 PolarHBondContact O-N 2.97Å; R237-A240 PolarHBondContact O-N 3.3Å; A240-M243 PolarHBondContact O-N 2.94Å; A240-T244 PolarHBondContact O-N 2.91Å |
| 241 | T | 90.6 | Very high | 89.7 | Confident | 19 Ų | 19 | 27.1 Ų | 27.1 | 12% | 0.117 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -71.3 | -36.3 | 176 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | W20 A40 L42 R237 S238 I239 M243 T244 | W20-T241 PolarHBondContact NE1-OG1 3.5Å; A40-T241 HydrophobicContact CB-CG2 3.86Å; L42-T241 HydrophobicContact CD1-CG2 3.83Å; L42-T241 HydrophobicContact CG-CG2 4.35Å; R237-T241 WeakPolarHBondContact O-CB 3.18Å; R237-T241 PolarHBondContact O-N 2.93Å; R237-T241 PolarHBondContact O-OG1 2.97Å; S238-T241 PolarHBondContact O-N 3.45Å; I239-T241 VanDerWaalsContact C-N 3.31Å; I239-T241 PolarHBondContact O-N 3.49Å; T241-M243 VanDerWaalsContact C-N 3.32Å; T241-M243 PolarHBondContact O-N 3.38Å; T241-T244 PolarHBondContact O-N 2.9Å; T241-T244 PolarHBondContact O-OG1 3.05Å |
| 242 | L | 91.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 172.8 | -83.8 | 162.4 | 0 | 0 | 0 | 111.7 | L47 L50 S238 I239 T244 D245 F248 I265 F268 | L47-L242 HydrophobicContact CD2-CD1 4.02Å; L47-L242 HydrophobicContact CD2-CG 4.47Å; L50-L242 HydrophobicContact CD2-CD1 3.37Å; S238-L242 WeakPolarHBondContact O-CB 3.36Å; S238-L242 WeakPolarHBondContact O-CG 3.35Å; S238-L242 PolarHBondContact O-N 3.04Å; I239-L242 HydrophobicContact CD1-CB 4.49Å; I239-L242 HydrophobicContact CD1-CD1 4.5Å; I239-L242 PolarHBondContact O-N 3.21Å; L242-T244 PolarHBondContact O-N 3.49Å; L242-D245 WeakPolarHBondContact O-CB 3.24Å; L242-D245 PolarHBondContact O-N 2.83Å; L242-D245 VanDerWaalsContact O-N 3.1Å; L242-F248 HydrophobicContact CB-CD1 3.74Å; L242-F248 HydrophobicContact CB-CE1 3.99Å; L242-F248 HydrophobicContact CB-CG 4.13Å; L242-F248 HydrophobicContact CD2-CB 4.3Å; L242-F248 HydrophobicContact CD2-CD1 4.49Å; L242-F248 HydrophobicContact CD2-CD2 4.15Å; L242-F248 HydrophobicContact CD2-CG 4.04Å; L242-F248 WeakPolarHBondContact O-CB 3.48Å; L242-F248 WeakPolarHBondContact O-CD1 3.37Å; L242-I265 HydrophobicContact CD1-CD1 4.48Å; L242-I265 HydrophobicContact CD1-CG1 4.12Å; L242-F268 HydrophobicContact CD2-CB 3.62Å; L242-F268 HydrophobicContact CD2-CD1 3.52Å; L242-F268 HydrophobicContact CD2-CD2 3.6Å; L242-F268 HydrophobicContact CD2-CE1 4Å; L242-F268 HydrophobicContact CD2-CE2 4.07Å; L242-F268 HydrophobicContact CD2-CG 3.29Å; L242-F268 HydrophobicContact CD2-CZ 4.25Å; L242-F268 HydrophobicContact CG-CD1 4.38Å; L242-F268 HydrophobicContact CG-CE1 4.47Å; L242-F268 HydrophobicContact CG-CG 4.5Å |
| 243 | M | 90.4 | Very high | 89.8 | Confident | 14 Ų | 14 | 26.8 Ų | 26.8 | 7% | 0.069 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -15.7 | -179.8 | -71.3 | -64.4 | -63.3 | 0 | 0 | 114.1 | C180 F218 I239 A240 T241 F248 H249 A252 | C180-M243 HydrophobicContact CB-CE 4.15Å; F218-M243 HydrophobicContact CB-CE 3.99Å; F218-M243 HydrophobicContact CD1-CE 4.03Å; F218-M243 HydrophobicContact CD2-CE 3.39Å; F218-M243 HydrophobicContact CE1-CE 4.33Å; F218-M243 HydrophobicContact CE2-CE 3.76Å; F218-M243 HydrophobicContact CG-CE 3.54Å; F218-M243 HydrophobicContact CZ-CE 4.22Å; I239-M243 HydrophobicContact CD1-CG 4.45Å; I239-M243 HydrophobicContact CG1-CG 4.46Å; I239-M243 VanDerWaalsContact O-CG 3.26Å; I239-M243 WeakPolarHBondContact O-CG 3.27Å; I239-M243 PolarHBondContact O-N 2.78Å; A240-M243 PolarHBondContact O-N 2.94Å; T241-M243 VanDerWaalsContact C-N 3.32Å; T241-M243 PolarHBondContact O-N 3.38Å; M243-F248 HydrophobicContact CG-CE1 4.48Å; M243-F248 HydrophobicContact SD-CD1 4.08Å; M243-F248 HydrophobicContact SD-CE1 3.76Å; M243-H249 PolarHBondContact O-ND1 3.17Å; M243-A252 HydrophobicContact CE-CB 4.48Å; M243-A252 HydrophobicContact SD-CB 4.18Å |
| 244 | T | 85.9 | Confident | 89.8 | Confident | 54 Ų | 54 | 32.2 Ų | 32.2 | 33% | 0.331 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -14.3 | 171.6 | 60.1 | 0 | 0 | 0 | 0 | 114 | W20 A240 T241 L242 | W20-T244 HydrophobicContact CB-CG2 3.57Å; W20-T244 HydrophobicContact CG-CG2 4.34Å; A240-T244 PolarHBondContact O-N 2.91Å; T241-T244 PolarHBondContact O-N 2.9Å; T241-T244 PolarHBondContact O-OG1 3.05Å; L242-T244 PolarHBondContact O-N 3.49Å |
| 245 | D | 86.9 | Confident | 89.9 | Confident | 16 Ų | 16 | 30 Ų | 30 | 9% | 0.086 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -72.7 | 130.5 | 172.2 | -177.1 | 75.8 | 0 | 0 | 0 | 110.2 | L242 V247 F248 H249 F268 Q295 R298 | L242-D245 WeakPolarHBondContact O-CB 3.24Å; L242-D245 PolarHBondContact O-N 2.83Å; L242-D245 VanDerWaalsContact O-N 3.1Å; D245-V247 PolarHBondContact O-N 3.09Å; D245-V247 WeakPolarHBondContact OD2-CA 3.47Å; D245-V247 VanDerWaalsContact OD2-CB 3.26Å; D245-V247 WeakPolarHBondContact OD2-CB 3.18Å; D245-V247 PolarHBondContact OD2-N 3.06Å; D245-F248 HydrophobicContact CB-CB 4.43Å; D245-F248 PolarHBondContact OD2-N 2.91Å; D245-H249 WeakPolarHBondContact O-CB 3.35Å; D245-H249 PolarHBondContact O-N 2.68Å; D245-F268 HydrophobicContact CB-CE2 4.49Å; D245-Q295 PolarHBondContact OD1-NE2 3.42Å; D245-Q295 PolarHBondContact OD1-OE1 3.35Å; D245-R298 IonicContact OD1-NH1 2.6Å; D245-R298 PolarHBondContact OD1-NH1 3.4Å |
| 246 | E | 83.1 | Confident | 89.7 | Confident | 96 Ų | 96 | 37.8 Ų | 37.8 | 45% | 0.449 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66 | -29.5 | -173.8 | -57.4 | -176.9 | -177.5 | 0 | 0 | 112.3 | D250 Q295 K299 | E246-D250 WeakPolarHBondContact O-CB 3.03Å; E246-D250 PolarHBondContact O-N 3.18Å; E246-Q295 VanDerWaalsContact N-OE1 3.14Å; E246-K299 VanDerWaalsContact OE2-CE 3.24Å; E246-K299 WeakPolarHBondContact OE2-CE 3Å; E246-K299 IonicContact OE2-NZ 3.77Å; E246-K299 PolarHBondContact OE2-NZ 3.19Å |
| 247 | V | 86 | Confident | 89.6 | Confident | 10 Ų | 10 | 42.8 Ų | 42.8 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.7 | -53.2 | -177.8 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | D245 H249 D250 V251 E267 R298 N302 | D245-V247 PolarHBondContact O-N 3.09Å; D245-V247 WeakPolarHBondContact OD2-CA 3.47Å; D245-V247 VanDerWaalsContact OD2-CB 3.26Å; D245-V247 WeakPolarHBondContact OD2-CB 3.18Å; D245-V247 PolarHBondContact OD2-N 3.06Å; V247-H249 VanDerWaalsContact C-N 3.28Å; V247-H249 PolarHBondContact O-N 2.85Å; V247-D250 PolarHBondContact O-N 3.33Å; V247-V251 WeakPolarHBondContact O-CG2 3.45Å; V247-V251 PolarHBondContact O-N 3.37Å; V247-E267 WeakPolarHBondContact CG1-OE1 3.36Å; V247-R298 HydrophobicContact CG2-CB 3.55Å; V247-R298 HydrophobicContact CG2-CG 4.44Å; V247-N302 WeakPolarHBondContact CG1-ND2 3.39Å |
| 248 | F | 90.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.5 | -37.1 | 177.5 | -175.1 | -95.1 | 0 | 0 | 0 | 111.7 | I239 L242 M243 D245 V251 A252 L261 I265 | I239-F248 HydrophobicContact CD1-CE1 4.08Å; I239-F248 HydrophobicContact CD1-CZ 4.28Å; L242-F248 HydrophobicContact CB-CD1 3.74Å; L242-F248 HydrophobicContact CB-CE1 3.99Å; L242-F248 HydrophobicContact CB-CG 4.13Å; L242-F248 HydrophobicContact CD2-CB 4.3Å; L242-F248 HydrophobicContact CD2-CD1 4.49Å; L242-F248 HydrophobicContact CD2-CD2 4.15Å; L242-F248 HydrophobicContact CD2-CG 4.04Å; L242-F248 WeakPolarHBondContact O-CB 3.48Å; L242-F248 WeakPolarHBondContact O-CD1 3.37Å; M243-F248 HydrophobicContact CG-CE1 4.48Å; M243-F248 HydrophobicContact SD-CD1 4.08Å; M243-F248 HydrophobicContact SD-CE1 3.76Å; D245-F248 HydrophobicContact CB-CB 4.43Å; D245-F248 PolarHBondContact OD2-N 2.91Å; F248-V251 PolarHBondContact O-N 3.29Å; F248-A252 HydrophobicContact CE1-CB 4.49Å; F248-A252 WeakPolarHBondContact O-CB 3.46Å; F248-A252 PolarHBondContact O-N 3.47Å; F248-L261 HydrophobicContact CZ-CD2 4.46Å; F248-I265 HydrophobicContact CD2-CG1 4.46Å; F248-I265 HydrophobicContact CE2-CG1 3.68Å; F248-I265 HydrophobicContact CZ-CG1 4.22Å |
| 249 | H | 87.8 | Confident | 89.5 | Confident | 67 Ų | 67 | 51 Ų | 51 | 31% | 0.31 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.9 | -52.6 | 171.7 | -177.3 | 97.4 | 0 | 0 | 0 | 111.4 | M243 D245 V247 V251 A252 Y253 | M243-H249 PolarHBondContact O-ND1 3.17Å; D245-H249 WeakPolarHBondContact O-CB 3.35Å; D245-H249 PolarHBondContact O-N 2.68Å; V247-H249 VanDerWaalsContact C-N 3.28Å; V247-H249 PolarHBondContact O-N 2.85Å; H249-V251 VanDerWaalsContact C-N 3.29Å; H249-V251 PolarHBondContact O-N 2.65Å; H249-A252 PolarHBondContact O-N 3.07Å; H249-A252 VanDerWaalsContact O-N 3.13Å; H249-Y253 AromaticContact CD2-CD2 3.84Å; H249-Y253 AromaticContact CD2-CE2 3.71Å; H249-Y253 AromaticContact CE1-CE2 3.42Å; H249-Y253 VanDerWaalsContact CE1-CE2 3.42Å; H249-Y253 WeakPolarHBondContact CE1-CE2 3.39Å; H249-Y253 AromaticContact ND1-CE2 3.95Å; H249-Y253 AromaticContact NE2-CD2 3.82Å; H249-Y253 AromaticContact NE2-CE2 3.22Å; H249-Y253 WeakPolarHBondContact NE2-CE2 3.41Å; H249-Y253 VanDerWaalsContact O-CD2 3.3Å; H249-Y253 WeakPolarHBondContact O-CD2 3.45Å; H249-Y253 PolarHBondContact O-N 3.09Å; H249-Y253 VanDerWaalsContact O-N 3.11Å |
| 250 | D | 87.6 | Confident | 89.4 | Confident | 57 Ų | 57 | 54 Ų | 54 | 31% | 0.305 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.1 | -38.2 | 178.1 | -76.9 | -22.7 | 0 | 0 | 0 | 112 | E246 V247 K254 K299 | E246-D250 WeakPolarHBondContact O-CB 3.03Å; E246-D250 PolarHBondContact O-N 3.18Å; V247-D250 PolarHBondContact O-N 3.33Å; D250-K254 WeakPolarHBondContact O-CG 3.39Å; D250-K254 PolarHBondContact O-N 3.14Å; D250-K299 WeakPolarHBondContact OD2-CE 3.47Å; D250-K299 IonicContact OD2-NZ 3.25Å |
| 251 | V | 90.6 | Very high | 89.3 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 20% | 0.2 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 174 | 173 | 0 | 0 | 0 | 0 | 110.7 | V247 F248 H249 Y253 K254 A255 D260 | V247-V251 WeakPolarHBondContact O-CG2 3.45Å; V247-V251 PolarHBondContact O-N 3.37Å; F248-V251 PolarHBondContact O-N 3.29Å; H249-V251 VanDerWaalsContact C-N 3.29Å; H249-V251 PolarHBondContact O-N 2.65Å; V251-Y253 VanDerWaalsContact C-N 3.3Å; V251-Y253 PolarHBondContact O-N 2.93Å; V251-K254 CarbonylContact O-C 3.4Å; V251-K254 PolarHBondContact O-N 2.96Å; V251-K254 VanDerWaalsContact O-N 3.08Å; V251-A255 WeakPolarHBondContact O-CB 3.36Å; V251-A255 PolarHBondContact O-N 3.2Å; V251-D260 VanDerWaalsContact CG1-O 3.28Å; V251-D260 WeakPolarHBondContact CG1-O 3.28Å |
| 252 | A | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -34.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R199 F218 M243 F248 H249 L261 | R199-A252 PolarHBondContact NH1-O 3Å; F218-A252 HydrophobicContact CE1-CB 4.01Å; F218-A252 HydrophobicContact CZ-CB 4.16Å; M243-A252 HydrophobicContact CE-CB 4.48Å; M243-A252 HydrophobicContact SD-CB 4.18Å; F248-A252 HydrophobicContact CE1-CB 4.49Å; F248-A252 WeakPolarHBondContact O-CB 3.46Å; F248-A252 PolarHBondContact O-N 3.47Å; H249-A252 PolarHBondContact O-N 3.07Å; H249-A252 VanDerWaalsContact O-N 3.13Å; A252-L261 HydrophobicContact CB-CD2 4.14Å |
| 253 | Y | 90.4 | Very high | 89.4 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 29% | 0.29 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.3 | -35.3 | 172.8 | -84.8 | -87 | 0 | 0 | 0 | 113.3 | E178 R199 R217 F218 H249 V251 | E178-Y253 PolarHBondContact OE2-OH 2.73Å; R199-Y253 PolarHBondContact NH1-O 2.74Å; R217-Y253 HydrophobicContact CG-CE1 4.01Å; F218-Y253 HydrophobicContact CE2-CD2 4.05Å; F218-Y253 HydrophobicContact CE2-CE1 4.08Å; F218-Y253 AromaticContact CE2-CE2 3.48Å; F218-Y253 HydrophobicContact CE2-CE2 3.48Å; F218-Y253 VanDerWaalsContact CE2-CE2 3.48Å; F218-Y253 AromaticContact CE2-CZ 3.53Å; F218-Y253 HydrophobicContact CZ-CD1 4.23Å; F218-Y253 AromaticContact CZ-CD2 3.86Å; F218-Y253 HydrophobicContact CZ-CD2 3.86Å; F218-Y253 HydrophobicContact CZ-CE1 4.2Å; F218-Y253 AromaticContact CZ-CE2 3.78Å; F218-Y253 HydrophobicContact CZ-CE2 3.78Å; F218-Y253 HydrophobicContact CZ-CG 4.07Å; F218-Y253 AromaticContact CZ-CZ 4Å; H249-Y253 AromaticContact CD2-CD2 3.84Å; H249-Y253 AromaticContact CD2-CE2 3.71Å; H249-Y253 AromaticContact CE1-CE2 3.42Å; H249-Y253 VanDerWaalsContact CE1-CE2 3.42Å; H249-Y253 WeakPolarHBondContact CE1-CE2 3.39Å; H249-Y253 AromaticContact ND1-CE2 3.95Å; H249-Y253 AromaticContact NE2-CD2 3.82Å; H249-Y253 AromaticContact NE2-CE2 3.22Å; H249-Y253 WeakPolarHBondContact NE2-CE2 3.41Å; H249-Y253 VanDerWaalsContact O-CD2 3.3Å; H249-Y253 WeakPolarHBondContact O-CD2 3.45Å; H249-Y253 PolarHBondContact O-N 3.09Å; H249-Y253 VanDerWaalsContact O-N 3.11Å; V251-Y253 VanDerWaalsContact C-N 3.3Å; V251-Y253 PolarHBondContact O-N 2.93Å |
| 254 | K | 89.8 | Confident | 89.4 | Confident | 156 Ų | 156 | 55.8 Ų | 55.8 | 68% | 0.678 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -92.3 | -15 | -175.4 | -67.8 | 173.8 | -174 | 167.7 | 0 | 114 | D250 V251 K256 | D250-K254 WeakPolarHBondContact O-CG 3.39Å; D250-K254 PolarHBondContact O-N 3.14Å; V251-K254 CarbonylContact O-C 3.4Å; V251-K254 PolarHBondContact O-N 2.96Å; V251-K254 VanDerWaalsContact O-N 3.08Å; K254-K256 PolarHBondContact O-N 3.27Å |
| 255 | A | 91.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | trans | -54.9 | 132.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L61 R199 V251 D260 L261 | L61-A255 HydrophobicContact CD1-CB 4.41Å; R199-A255 VanDerWaalsContact CZ-O 3.24Å; R199-A255 PolarHBondContact NH1-O 3.03Å; R199-A255 PolarHBondContact NH2-O 3.43Å; V251-A255 WeakPolarHBondContact O-CB 3.36Å; V251-A255 PolarHBondContact O-N 3.2Å; A255-D260 HydrophobicContact CB-CB 3.84Å; A255-L261 HydrophobicContact CB-CD2 3.88Å; A255-L261 HydrophobicContact CB-CG 4.06Å | ||
| 256 | K | 89.1 | Confident | 89.8 | Confident | 170 Ų | 170 | 54.9 Ų | 54.9 | 74% | 0.739 | 27% | 0.272 | S | S | * | . | trans | -105.3 | -31.6 | 173.3 | -66.6 | -179.2 | -178 | 175.3 | 0 | 111.5 | L61 K254 D260 | L61-K256 WeakPolarHBondContact CD1-O 3.24Å; K254-K256 PolarHBondContact O-N 3.27Å; K256-D260 PolarHBondContact N-OD2 3.31Å | ||
| 257 | D | 89.2 | Confident | 90 | Very high | 105 Ų | 105 | 52.1 Ų | 52.1 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -131.2 | 164.8 | -177.7 | -67.7 | -51.8 | 0 | 0 | 0 | 111.5 | N259 D260 | D257-N259 PolarHBondContact O-N 3.26Å; D257-D260 PolarHBondContact N-OD2 2.91Å; D257-D260 PolarHBondContact O-N 3.39Å |
| 258 | R | 90.2 | Very high | 90.2 | Very high | 79 Ų | 79 | 53.4 Ų | 53.4 | 30% | 0.298 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.2 | -28.8 | 177 | 70.2 | 176.1 | 67 | -152.6 | -4.6 | 113.5 | I55 G57 V59 D260 L261 I262 | I55-R258 PolarHBondContact O-NH1 3.18Å; G57-R258 PolarHBondContact O-NH1 3.01Å; V59-R258 HydrophobicContact CB-CB 4.33Å; V59-R258 HydrophobicContact CG1-CB 4.44Å; V59-R258 HydrophobicContact CG2-CB 4.1Å; R258-D260 VanDerWaalsContact C-N 3.29Å; R258-D260 PolarHBondContact O-N 2.97Å; R258-L261 PolarHBondContact O-N 2.88Å; R258-I262 WeakPolarHBondContact O-CG1 3.37Å; R258-I262 PolarHBondContact O-N 3.07Å; R258-I262 VanDerWaalsContact O-N 3.12Å |
| 259 | N | 91.8 | Very high | 90.1 | Very high | 110 Ų | 110 | 54.6 Ų | 54.6 | 59% | 0.588 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.5 | -31.9 | -178.8 | -66.1 | -23.9 | 0 | 0 | 0 | 111.9 | D257 I262 A263 | D257-N259 PolarHBondContact O-N 3.26Å; N259-I262 PolarHBondContact O-N 3.14Å; N259-A263 WeakPolarHBondContact O-CB 3.24Å; N259-A263 PolarHBondContact O-N 3.41Å |
| 260 | D | 91.7 | Very high | 89.9 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 34% | 0.342 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 177.8 | -59.8 | -24.6 | 0 | 0 | 0 | 110.8 | V251 A255 K256 D257 R258 A263 G264 | V251-D260 VanDerWaalsContact CG1-O 3.28Å; V251-D260 WeakPolarHBondContact CG1-O 3.28Å; A255-D260 HydrophobicContact CB-CB 3.84Å; K256-D260 PolarHBondContact N-OD2 3.31Å; D257-D260 PolarHBondContact N-OD2 2.91Å; D257-D260 PolarHBondContact O-N 3.39Å; R258-D260 VanDerWaalsContact C-N 3.29Å; R258-D260 PolarHBondContact O-N 2.97Å; D260-A263 PolarHBondContact O-N 3.02Å; D260-G264 PolarHBondContact O-N 3.24Å |
| 261 | L | 91.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66 | -40.6 | 175 | -64.2 | 175.1 | 0 | 0 | 0 | 111.4 | I54 V59 F197 F248 A252 A255 R258 G264 I265 | I54-L261 HydrophobicContact CG2-CB 4.29Å; V59-L261 HydrophobicContact CG1-CD1 3.93Å; F197-L261 HydrophobicContact CD1-CD1 3.67Å; F197-L261 HydrophobicContact CE1-CD1 3.62Å; F197-L261 HydrophobicContact CE1-CD2 4.26Å; F197-L261 HydrophobicContact CG-CD1 4.36Å; F197-L261 HydrophobicContact CZ-CD1 4.28Å; F197-L261 HydrophobicContact CZ-CD2 4.33Å; F248-L261 HydrophobicContact CZ-CD2 4.46Å; A252-L261 HydrophobicContact CB-CD2 4.14Å; A255-L261 HydrophobicContact CB-CD2 3.88Å; A255-L261 HydrophobicContact CB-CG 4.06Å; R258-L261 PolarHBondContact O-N 2.88Å; L261-G264 PolarHBondContact O-N 3.5Å; L261-I265 WeakPolarHBondContact O-CG1 3.46Å; L261-I265 PolarHBondContact O-N 3.41Å |
| 262 | I | 92.5 | Very high | 89 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 176.4 | -65 | 159.5 | 0 | 0 | 0 | 110.4 | R51 I54 I55 R258 N259 G264 I265 D266 | R51-I262 HydrophobicContact CG-CG2 4.44Å; I54-I262 HydrophobicContact CG2-CG1 4.07Å; I55-I262 HydrophobicContact CB-CD1 4.5Å; I55-I262 HydrophobicContact CD1-CD1 4.49Å; I55-I262 HydrophobicContact CG1-CD1 3.48Å; I55-I262 VanDerWaalsContact CG1-CD1 3.48Å; I55-I262 HydrophobicContact CG1-CG1 4.03Å; R258-I262 WeakPolarHBondContact O-CG1 3.37Å; R258-I262 PolarHBondContact O-N 3.07Å; R258-I262 VanDerWaalsContact O-N 3.12Å; N259-I262 PolarHBondContact O-N 3.14Å; I262-G264 VanDerWaalsContact C-N 3.28Å; I262-G264 PolarHBondContact O-N 2.89Å; I262-I265 PolarHBondContact O-N 3.11Å; I262-I265 VanDerWaalsContact O-N 3.11Å; I262-D266 PolarHBondContact O-N 2.87Å |
| 263 | A | 90.1 | Very high | 88.4 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 46% | 0.463 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.5 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N259 D260 I265 D266 E267 | N259-A263 WeakPolarHBondContact O-CB 3.24Å; N259-A263 PolarHBondContact O-N 3.41Å; D260-A263 PolarHBondContact O-N 3.02Å; A263-I265 PolarHBondContact O-N 3.13Å; A263-D266 PolarHBondContact O-N 3.1Å; A263-E267 WeakPolarHBondContact O-CB 3.45Å; A263-E267 PolarHBondContact O-N 2.85Å |
| 264 | G | 90 | Very high | 88 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D260 L261 I262 F268 | D260-G264 PolarHBondContact O-N 3.24Å; L261-G264 PolarHBondContact O-N 3.5Å; I262-G264 VanDerWaalsContact C-N 3.28Å; I262-G264 PolarHBondContact O-N 2.89Å; G264-F268 PolarHBondContact O-N 3.11Å; G264-F268 VanDerWaalsContact O-N 3.11Å |
| 265 | I | 92.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.2 | -42.7 | 173.6 | -67 | 179.5 | 0 | 0 | 0 | 110.9 | L50 R51 I54 L242 F248 L261 I262 A263 F268 L269 | L50-I265 HydrophobicContact CD2-CD1 4.33Å; L50-I265 HydrophobicContact CG-CD1 4.18Å; R51-I265 HydrophobicContact CB-CG2 4.2Å; R51-I265 HydrophobicContact CG-CG2 4.45Å; I54-I265 HydrophobicContact CD1-CD1 3.51Å; I54-I265 HydrophobicContact CG1-CD1 4.35Å; L242-I265 HydrophobicContact CD1-CD1 4.48Å; L242-I265 HydrophobicContact CD1-CG1 4.12Å; F248-I265 HydrophobicContact CD2-CG1 4.46Å; F248-I265 HydrophobicContact CE2-CG1 3.68Å; F248-I265 HydrophobicContact CZ-CG1 4.22Å; L261-I265 WeakPolarHBondContact O-CG1 3.46Å; L261-I265 PolarHBondContact O-N 3.41Å; I262-I265 PolarHBondContact O-N 3.11Å; I262-I265 VanDerWaalsContact O-N 3.11Å; A263-I265 PolarHBondContact O-N 3.13Å; I265-F268 WeakPolarHBondContact O-CB 3.45Å; I265-F268 PolarHBondContact O-N 3.02Å; I265-L269 HydrophobicContact CG2-CD1 3.94Å; I265-L269 HydrophobicContact CG2-CG 4.36Å; I265-L269 WeakPolarHBondContact O-CG 3.5Å; I265-L269 PolarHBondContact O-N 2.72Å |
| 266 | D | 90 | Very high | 86.7 | Confident | 52 Ų | 52 | 67 Ų | 67 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 179.9 | -72 | -17 | 0 | 0 | 0 | 110.5 | R51 I262 A263 F268 L269 D270 | R51-D266 WeakPolarHBondContact CD-OD1 3.31Å; R51-D266 IonicContact CZ-OD1 2.62Å; R51-D266 IonicContact CZ-OD2 2.74Å; R51-D266 IonicContact NE-OD1 2.71Å; R51-D266 PolarHBondContact NE-OD1 3.25Å; R51-D266 IonicContact NE-OD2 2.89Å; R51-D266 IonicContact NH2-OD1 2.67Å; R51-D266 IonicContact NH2-OD2 2.88Å; R51-D266 PolarHBondContact NH2-OD2 2.99Å; I262-D266 PolarHBondContact O-N 2.87Å; A263-D266 PolarHBondContact O-N 3.1Å; D266-F268 VanDerWaalsContact C-N 3.33Å; D266-F268 PolarHBondContact O-N 3.47Å; D266-L269 WeakPolarHBondContact O-CB 3.33Å; D266-L269 PolarHBondContact O-N 2.97Å; D266-D270 PolarHBondContact O-N 3.42Å |
| 267 | E | 87.6 | Confident | 85.8 | Confident | 37 Ų | 37 | 65 Ų | 65 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62 | -40 | 173.4 | -173 | -173.9 | 163.3 | 0 | 0 | 112.4 | V247 A263 N302 | V247-E267 WeakPolarHBondContact CG1-OE1 3.36Å; A263-E267 WeakPolarHBondContact O-CB 3.45Å; A263-E267 PolarHBondContact O-N 2.85Å; E267-N302 PolarHBondContact OE1-ND2 3.18Å; E267-N302 PolarHBondContact OE1-OD1 3.39Å; E267-N302 VanDerWaalsContact OE1-OD1 3.07Å; E267-N302 PolarHBondContact OE2-ND2 2.93Å |
| 268 | F | 89.1 | Confident | 84.8 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 17% | 0.167 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 174 | -179.8 | -95 | 0 | 0 | 0 | 110.7 | L42 L47 L242 D245 G264 I265 D266 D270 Q271 V272 | L42-F268 HydrophobicContact CD1-CE1 4.42Å; L42-F268 HydrophobicContact CD1-CZ 4.43Å; L47-F268 HydrophobicContact CD1-CD1 4.45Å; L47-F268 HydrophobicContact CD1-CE1 3.99Å; L47-F268 HydrophobicContact CD2-CD1 4.25Å; L47-F268 HydrophobicContact CD2-CE1 4Å; L242-F268 HydrophobicContact CD2-CB 3.62Å; L242-F268 HydrophobicContact CD2-CD1 3.52Å; L242-F268 HydrophobicContact CD2-CD2 3.6Å; L242-F268 HydrophobicContact CD2-CE1 4Å; L242-F268 HydrophobicContact CD2-CE2 4.07Å; L242-F268 HydrophobicContact CD2-CG 3.29Å; L242-F268 HydrophobicContact CD2-CZ 4.25Å; L242-F268 HydrophobicContact CG-CD1 4.38Å; L242-F268 HydrophobicContact CG-CE1 4.47Å; L242-F268 HydrophobicContact CG-CG 4.5Å; D245-F268 HydrophobicContact CB-CE2 4.49Å; G264-F268 PolarHBondContact O-N 3.11Å; G264-F268 VanDerWaalsContact O-N 3.11Å; I265-F268 WeakPolarHBondContact O-CB 3.45Å; I265-F268 PolarHBondContact O-N 3.02Å; D266-F268 VanDerWaalsContact C-N 3.33Å; D266-F268 PolarHBondContact O-N 3.47Å; F268-D270 VanDerWaalsContact C-N 3.32Å; F268-D270 PolarHBondContact O-N 3.17Å; F268-Q271 PolarHBondContact O-N 3.29Å; F268-V272 HydrophobicContact CD1-CG2 3.67Å; F268-V272 HydrophobicContact CE1-CG2 3.42Å; F268-V272 VanDerWaalsContact CE1-CG2 3.42Å; F268-V272 HydrophobicContact CG-CG2 4.48Å; F268-V272 HydrophobicContact CZ-CG2 4.05Å; F268-V272 WeakPolarHBondContact O-CG2 3.24Å; F268-V272 PolarHBondContact O-N 3Å |
| 269 | L | 88.4 | Confident | 83.8 | Confident | 26 Ų | 26 | 63.7 Ų | 63.7 | 14% | 0.136 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59 | -39.6 | -179.6 | -77.7 | 167.6 | 0 | 0 | 0 | 113 | L47 F48 I265 D266 Q271 V272 | L47-L269 HydrophobicContact CB-CD2 3.8Å; L47-L269 HydrophobicContact CD1-CD2 3.85Å; L47-L269 HydrophobicContact CG-CD2 4.38Å; F48-L269 HydrophobicContact CD1-CD1 4.26Å; F48-L269 HydrophobicContact CE1-CD1 4.02Å; I265-L269 HydrophobicContact CG2-CD1 3.94Å; I265-L269 HydrophobicContact CG2-CG 4.36Å; I265-L269 WeakPolarHBondContact O-CG 3.5Å; I265-L269 PolarHBondContact O-N 2.72Å; D266-L269 WeakPolarHBondContact O-CB 3.33Å; D266-L269 PolarHBondContact O-N 2.97Å; L269-Q271 PolarHBondContact O-N 3.46Å; L269-Q271 VanDerWaalsContact O-N 3.14Å; L269-V272 PolarHBondContact O-N 3.1Å |
| 270 | D | 84.1 | Confident | 82.7 | Confident | 145 Ų | 145 | 62 Ų | 62 | 78% | 0.775 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.8 | -21.8 | 177.6 | -76.7 | -16.9 | 0 | 0 | 0 | 113 | D266 F268 | D266-D270 PolarHBondContact O-N 3.42Å; F268-D270 VanDerWaalsContact C-N 3.32Å; F268-D270 PolarHBondContact O-N 3.17Å |
| 271 | Q | 76.2 | Confident | 81.7 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -2.3 | -177.2 | -58.8 | 179.7 | 27.6 | 0 | 0 | 113.5 | F268 L269 | F268-Q271 PolarHBondContact O-N 3.29Å; L269-Q271 PolarHBondContact O-N 3.46Å; L269-Q271 VanDerWaalsContact O-N 3.14Å |
| 272 | V | 82.1 | Confident | 80.7 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 30% | 0.303 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 130.4 | 178.3 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | L47 F268 L269 | L47-V272 HydrophobicContact CD1-CG2 4.39Å; F268-V272 HydrophobicContact CD1-CG2 3.67Å; F268-V272 HydrophobicContact CE1-CG2 3.42Å; F268-V272 VanDerWaalsContact CE1-CG2 3.42Å; F268-V272 HydrophobicContact CG-CG2 4.48Å; F268-V272 HydrophobicContact CZ-CG2 4.05Å; F268-V272 WeakPolarHBondContact O-CG2 3.24Å; F268-V272 PolarHBondContact O-N 3Å; L269-V272 PolarHBondContact O-N 3.1Å |
| 273 | T | 79.6 | Confident | 79.6 | Confident | 125 Ų | 125 | 70.7 Ų | 70.7 | 77% | 0.767 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 119.9 | 168.5 | 53.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 274 | V | 81.1 | Confident | 78.9 | Confident | 98 Ų | 98 | 72.2 Ų | 72.2 | 59% | 0.594 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -90.9 | 125.7 | 179.2 | -173 | 0 | 0 | 0 | 0 | 109.9 | L44 | L44-V274 HydrophobicContact CD1-CG2 3.65Š|
| 275 | L | 77.4 | Confident | 78.3 | Confident | 90 Ų | 90 | 77.3 Ų | 77.3 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -91.9 | 134.7 | 174.2 | -63.2 | 175 | 0 | 0 | 0 | 110.3 | W280 | L275-W280 HydrophobicContact CB-CB 4.3Å; L275-W280 HydrophobicContact CB-CG 4.33Å; L275-W280 HydrophobicContact CD1-CD2 3.87Å; L275-W280 HydrophobicContact CD1-CE3 4.39Å; L275-W280 HydrophobicContact CD1-CG 3.92Å |
| 276 | P | 77.2 | Confident | 77.7 | Confident | 60 Ų | 60 | 80 Ų | 80 | 39% | 0.39 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 136.3 | 178.2 | 24.9 | -30.9 | 0 | 0 | 0 | 111.4 | G278 E279 | P276-G278 PolarHBondContact O-N 2.7Å; P276-G278 VanDerWaalsContact O-N 3.17Å; P276-E279 HydrophobicContact CB-CG 4.35Å; P276-E279 HydrophobicContact CG-CB 4.12Å; P276-E279 HydrophobicContact CG-CG 3.82Å; P276-E279 PolarHBondContact O-N 2.92Å |
| 277 | P | 69.9 | Low | 76.8 | Confident | 129 Ų | 129 | 85.4 Ų | 85.4 | 84% | 0.838 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -13.5 | -173.8 | 27.9 | -35.9 | 0 | 0 | 0 | 114.5 | ||
| 278 | G | 69.1 | Low | 76.2 | Confident | 76 Ų | 76 | 84.9 Ų | 84.9 | 78% | 0.784 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -14.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P276 | P276-G278 PolarHBondContact O-N 2.7Å; P276-G278 VanDerWaalsContact O-N 3.17Å |
| 279 | E | 68.1 | Low | 75 | Confident | 80 Ų | 80 | 86.2 Ų | 86.2 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -10.7 | -169.9 | -50.7 | -150.9 | 145.4 | 0 | 0 | 112.7 | P276 I930 M934 | P276-E279 HydrophobicContact CB-CG 4.35Å; P276-E279 HydrophobicContact CG-CB 4.12Å; P276-E279 HydrophobicContact CG-CG 3.82Å; P276-E279 PolarHBondContact O-N 2.92Å; E279-I930 WeakPolarHBondContact OE2-CG2 3.28Å; E279-M934 HydrophobicContact CB-CE 3.25Å; E279-M934 HydrophobicContact CB-SD 4.24Å; E279-M934 HydrophobicContact CG-CE 3.07Å; E279-M934 WeakPolarHBondContact OE1-CE 3.35Å |
| 280 | W | 68.6 | Low | 73.2 | Confident | 75 Ų | 75 | 93 Ų | 93 | 28% | 0.284 | 52% | 0.518 | S | S | . | . | trans | -137.3 | 129.7 | -169.9 | -179.8 | -98.7 | 0 | 0 | 0 | 110.2 | T41 L275 I284 I286 | T41-W280 HydrophobicContact CG2-CZ2 4.4Å; L275-W280 HydrophobicContact CB-CB 4.3Å; L275-W280 HydrophobicContact CB-CG 4.33Å; L275-W280 HydrophobicContact CD1-CD2 3.87Å; L275-W280 HydrophobicContact CD1-CE3 4.39Å; L275-W280 HydrophobicContact CD1-CG 3.92Å; W280-I284 HydrophobicContact CH2-CB 4.22Å; W280-I284 HydrophobicContact CH2-CG2 3.93Å; W280-I284 HydrophobicContact CZ2-CB 4.26Å; W280-I284 HydrophobicContact CZ2-CG2 4.42Å; W280-I284 VanDerWaalsContact CZ2-O 3.31Å; W280-I284 WeakPolarHBondContact CZ2-O 3.45Å; W280-I286 HydrophobicContact CH2-CD1 3.79Å; W280-I286 HydrophobicContact CH2-CG1 3.35Å; W280-I286 HydrophobicContact CZ2-CD1 3.63Å; W280-I286 HydrophobicContact CZ2-CG1 3.48Å; W280-I286 VanDerWaalsContact CZ2-CG1 3.48Å; W280-I286 HydrophobicContact CZ3-CG1 4.49Å | ||
| 281 | D | 71.6 | Confident | 71.7 | Confident | 83 Ų | 83 | 91.1 Ų | 91.1 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | trans | -94.8 | 117.4 | 172 | -177.8 | -16 | 0 | 0 | 0 | 109.2 | S283 I284 | D281-S283 PolarHBondContact O-N 3.07Å; D281-S283 VanDerWaalsContact O-N 3.07Å; D281-S283 WeakPolarHBondContact OD1-CB 3.38Å; D281-S283 PolarHBondContact OD1-N 2.75Å; D281-S283 PolarHBondContact OD1-OG 3.39Å; D281-S283 PolarHBondContact OD2-OG 2.87Å; D281-S283 VanDerWaalsContact OD2-OG 3.1Å; D281-I284 HydrophobicContact CB-CD1 3.77Å; D281-I284 HydrophobicContact CB-CG1 3.91Å; D281-I284 WeakPolarHBondContact O-CB 3.41Å; D281-I284 PolarHBondContact O-N 3.36Å | ||
| 282 | P | 69.2 | Low | 70.9 | Confident | 96 Ų | 96 | 90.5 Ų | 90.5 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -20.8 | 178.9 | -25.4 | 35 | 0 | 0 | 0 | 115.1 | I284 | P282-I284 VanDerWaalsContact C-N 3.33Š|
| 283 | S | 69.9 | Low | 69.7 | Low | 85 Ų | 85 | 92.9 Ų | 92.9 | 59% | 0.594 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -15.7 | 177.2 | 70.8 | 0 | 0 | 0 | 0 | 113.6 | D281 R285 | D281-S283 PolarHBondContact O-N 3.07Å; D281-S283 VanDerWaalsContact O-N 3.07Å; D281-S283 WeakPolarHBondContact OD1-CB 3.38Å; D281-S283 PolarHBondContact OD1-N 2.75Å; D281-S283 PolarHBondContact OD1-OG 3.39Å; D281-S283 PolarHBondContact OD2-OG 2.87Å; D281-S283 VanDerWaalsContact OD2-OG 3.1Å; S283-R285 PolarHBondContact O-N 3.47Å |
| 284 | I | 74.9 | Confident | 68.5 | Low | 89 Ų | 89 | 90.2 Ų | 90.2 | 46% | 0.456 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -75.2 | 114.6 | 176.5 | -63.4 | 174.8 | 0 | 0 | 0 | 109 | W280 D281 P282 I286 | W280-I284 HydrophobicContact CH2-CB 4.22Å; W280-I284 HydrophobicContact CH2-CG2 3.93Å; W280-I284 HydrophobicContact CZ2-CB 4.26Å; W280-I284 HydrophobicContact CZ2-CG2 4.42Å; W280-I284 VanDerWaalsContact CZ2-O 3.31Å; W280-I284 WeakPolarHBondContact CZ2-O 3.45Å; D281-I284 HydrophobicContact CB-CD1 3.77Å; D281-I284 HydrophobicContact CB-CG1 3.91Å; D281-I284 WeakPolarHBondContact O-CB 3.41Å; D281-I284 PolarHBondContact O-N 3.36Å; P282-I284 VanDerWaalsContact C-N 3.33Å; I284-I286 PolarHBondContact O-N 2.96Å |
| 285 | R | 78.1 | Confident | 67.3 | Low | 109 Ų | 109 | 87.3 Ų | 87.3 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 121.4 | 179.3 | -68.2 | 172.6 | 174.1 | 167.4 | -2.2 | 110.6 | E28 S35 Y38 S283 E287 | E28-R285 IonicContact OE1-NH1 2.81Å; S35-R285 VanDerWaalsContact CB-NH1 3.28Å; Y38-R285 HydrophobicContact CD1-CB 4.06Å; Y38-R285 VanDerWaalsContact CD1-CD 3.49Å; Y38-R285 HydrophobicContact CD1-CG 3.73Å; Y38-R285 HydrophobicContact CD2-CB 4.35Å; Y38-R285 HydrophobicContact CD2-CG 4.15Å; Y38-R285 VanDerWaalsContact CE1-CD 3.48Å; Y38-R285 HydrophobicContact CE1-CG 3.86Å; Y38-R285 VanDerWaalsContact CE1-NE 3.28Å; Y38-R285 HydrophobicContact CE2-CG 4.26Å; Y38-R285 HydrophobicContact CG-CB 3.88Å; Y38-R285 HydrophobicContact CG-CG 3.88Å; S283-R285 PolarHBondContact O-N 3.47Å; R285-E287 PolarHBondContact O-N 3.07Å |
| 286 | I | 78.8 | Confident | 66.2 | Low | 58 Ų | 58 | 89.1 Ų | 89.1 | 30% | 0.297 | 50% | 0.498 | S | S | . | . | B | Isolated β-bridge | trans | -78.1 | 119.7 | 176 | -62 | 169.4 | 0 | 0 | 0 | 109.1 | Y38 V39 T41 W280 I284 | Y38-I286 WeakPolarHBondContact CA-O 3.48Å; Y38-I286 VanDerWaalsContact CB-O 3.24Å; Y38-I286 WeakPolarHBondContact CB-O 3.33Å; V39-I286 HydrophobicContact CB-CB 4.11Å; V39-I286 HydrophobicContact CB-CG2 4.14Å; V39-I286 HydrophobicContact CG2-CB 4.47Å; V39-I286 HydrophobicContact CG2-CG2 4.04Å; V39-I286 PolarHBondContact N-O 3.1Å; T41-I286 HydrophobicContact CG2-CD1 3.82Å; T41-I286 HydrophobicContact CG2-CG1 4.44Å; W280-I286 HydrophobicContact CH2-CD1 3.79Å; W280-I286 HydrophobicContact CH2-CG1 3.35Å; W280-I286 HydrophobicContact CZ2-CD1 3.63Å; W280-I286 HydrophobicContact CZ2-CG1 3.48Å; W280-I286 VanDerWaalsContact CZ2-CG1 3.48Å; W280-I286 HydrophobicContact CZ3-CG1 4.49Å; I284-I286 PolarHBondContact O-N 2.96Å |
| 287 | E | 72.9 | Confident | 65.2 | Low | 165 Ų | 165 | 90.1 Ų | 90.1 | 77% | 0.771 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 138.1 | 174.5 | -66.8 | -164.4 | 161.1 | 0 | 0 | 110.9 | R285 | R285-E287 PolarHBondContact O-N 3.07Š|
| 288 | P | 73.9 | Confident | 64.7 | Low | 26 Ų | 26 | 87.8 Ų | 87.8 | 17% | 0.169 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 141.4 | 179.2 | -27.1 | 35.7 | 0 | 0 | 0 | 113.1 | F23 P37 | F23-P288 HydrophobicContact CD1-CB 4.15Å; F23-P288 HydrophobicContact CD1-CG 4.17Å; F23-P288 HydrophobicContact CD2-CB 4.14Å; F23-P288 HydrophobicContact CD2-CG 4.09Å; F23-P288 HydrophobicContact CE1-CB 3.83Å; F23-P288 HydrophobicContact CE1-CG 4.36Å; F23-P288 HydrophobicContact CE2-CB 3.81Å; F23-P288 HydrophobicContact CE2-CG 4.28Å; F23-P288 HydrophobicContact CG-CB 4.31Å; F23-P288 HydrophobicContact CG-CG 4.05Å; F23-P288 HydrophobicContact CZ-CB 3.66Å; F23-P288 HydrophobicContact CZ-CG 4.42Å; P37-P288 WeakPolarHBondContact O-CD 3.35Å; P37-P288 WeakPolarHBondContact O-CG 3.47Å |
| 289 | P | 63.2 | Low | 64 | Low | 65 Ų | 65 | 87.7 Ų | 87.7 | 42% | 0.422 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 147.7 | 176.6 | 27.5 | -34.4 | 0 | 0 | 0 | 111.1 | N291 | P289-N291 PolarHBondContact O-N 2.92Å; P289-N291 VanDerWaalsContact O-N 3.15Å |
| 290 | K | 52.2 | Low | 63.2 | Low | 169 Ų | 169 | 90.8 Ų | 90.8 | 74% | 0.735 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -57.8 | -31.2 | -178.9 | -69 | 179.6 | -178.6 | 171.6 | 0 | 113.3 | ||
| 291 | N | 51.3 | Low | 62.3 | Low | 105 Ų | 105 | 90.8 Ų | 90.8 | 56% | 0.561 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -136.9 | 127.5 | 171.6 | -72.3 | -42.6 | 0 | 0 | 0 | 108.6 | P289 P293 | P289-N291 PolarHBondContact O-N 2.92Å; P289-N291 VanDerWaalsContact O-N 3.15Å; N291-P293 WeakPolarHBondContact O-CD 3.26Å |
| 292 | V | 59.7 | Low | 61 | Low | 68 Ų | 68 | 90.5 Ų | 90.5 | 41% | 0.412 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 125.5 | 170.1 | -170.6 | 0 | 0 | 0 | 0 | 108.1 | F23 | F23-V292 HydrophobicContact CZ-CG2 3.94Š|
| 293 | P | 58 | Low | 59.6 | Low | 99 Ų | 99 | 92.5 Ų | 92.5 | 64% | 0.643 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 143.5 | 175.2 | -21.5 | 32 | 0 | 0 | 0 | 111.4 | N291 Q295 | N291-P293 WeakPolarHBondContact O-CD 3.26Å; P293-Q295 PolarHBondContact O-N 2.77Å |
| 294 | S | 53.9 | Low | 58 | Low | 69 Ų | 69 | 94 Ų | 94 | 48% | 0.483 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 124 | 176.2 | 61.3 | 0 | 0 | 0 | 0 | 111 | E296 | S294-E296 PolarHBondContact O-N 3.06Š|
| 295 | Q | 56.3 | Low | 56.3 | Low | 38 Ų | 38 | 95.5 Ų | 95.5 | 18% | 0.178 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 2.4 | 175.2 | -63.8 | -167.4 | -14.9 | 0 | 0 | 113.4 | D245 E246 P293 K297 R298 K299 | D245-Q295 PolarHBondContact OD1-NE2 3.42Å; D245-Q295 PolarHBondContact OD1-OE1 3.35Å; E246-Q295 VanDerWaalsContact N-OE1 3.14Å; P293-Q295 PolarHBondContact O-N 2.77Å; Q295-K297 PolarHBondContact O-N 3.49Å; Q295-K297 VanDerWaalsContact O-N 3.15Å; Q295-R298 WeakPolarHBondContact O-CA 3.5Å; Q295-R298 VanDerWaalsContact O-CB 3.26Å; Q295-R298 WeakPolarHBondContact O-CB 3.36Å; Q295-R298 PolarHBondContact O-N 2.94Å; Q295-K299 PolarHBondContact O-N 2.96Å |
| 296 | E | 53.8 | Low | 53.9 | Low | 127 Ų | 127 | 97 Ų | 97 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.2 | -30.4 | -179.9 | -66.9 | -177.3 | -178.9 | 0 | 0 | 114.2 | S294 R298 K299 K300 | S294-E296 PolarHBondContact O-N 3.06Å; E296-R298 VanDerWaalsContact C-N 3.31Å; E296-K299 PolarHBondContact O-N 3.39Å; E296-K300 WeakPolarHBondContact O-CG 3.49Å; E296-K300 PolarHBondContact O-N 3.18Å; E296-K300 VanDerWaalsContact O-N 3.09Å |
| 297 | K | 56 | Low | 51.9 | Low | 81 Ų | 81 | 97.9 Ų | 97.9 | 35% | 0.352 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -41 | 171.8 | -82.6 | -160.5 | 164.9 | -177.2 | 0 | 111.4 | Q295 K300 S301 K894 D898 | Q295-K297 PolarHBondContact O-N 3.49Å; Q295-K297 VanDerWaalsContact O-N 3.15Å; K297-K300 PolarHBondContact O-N 2.88Å; K297-S301 PolarHBondContact O-N 3.43Å; K297-K894 HydrophobicContact CD-CD 4Å; K297-K894 VanDerWaalsContact CD-CE 3.46Å; K297-D898 WeakPolarHBondContact CE-OD2 3.45Å; K297-D898 IonicContact NZ-OD1 3.94Å; K297-D898 PolarHBondContact NZ-OD1 3.1Å; K297-D898 IonicContact NZ-OD2 2.56Å; K297-D898 PolarHBondContact NZ-OD2 3Å |
| 298 | R | 58.7 | Low | 49.7 | Very low | 81 Ų | 81 | 97.1 Ų | 97.1 | 31% | 0.306 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.9 | -37.4 | 176.9 | -51.5 | -179.7 | 176.3 | 173.7 | -3.6 | 111.7 | D245 V247 Q295 E296 K300 S301 | D245-R298 IonicContact OD1-NH1 2.6Å; D245-R298 PolarHBondContact OD1-NH1 3.4Å; V247-R298 HydrophobicContact CG2-CB 3.55Å; V247-R298 HydrophobicContact CG2-CG 4.44Å; Q295-R298 WeakPolarHBondContact O-CA 3.5Å; Q295-R298 VanDerWaalsContact O-CB 3.26Å; Q295-R298 WeakPolarHBondContact O-CB 3.36Å; Q295-R298 PolarHBondContact O-N 2.94Å; E296-R298 VanDerWaalsContact C-N 3.31Å; R298-K300 VanDerWaalsContact C-N 3.31Å; R298-K300 PolarHBondContact O-N 2.86Å; R298-S301 PolarHBondContact O-OG 3.49Å |
| 299 | K | 55.9 | Low | 47.6 | Very low | 74 Ų | 74 | 102.4 Ų | 102.4 | 32% | 0.322 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.9 | -28.2 | 176.2 | -66.2 | -172.2 | 178.3 | -179.4 | 0 | 113.3 | E246 D250 Q295 E296 | E246-K299 VanDerWaalsContact OE2-CE 3.24Å; E246-K299 WeakPolarHBondContact OE2-CE 3Å; E246-K299 IonicContact OE2-NZ 3.77Å; E246-K299 PolarHBondContact OE2-NZ 3.19Å; D250-K299 WeakPolarHBondContact OD2-CE 3.47Å; D250-K299 IonicContact OD2-NZ 3.25Å; Q295-K299 PolarHBondContact O-N 2.96Å; E296-K299 PolarHBondContact O-N 3.39Å |
| 300 | K | 50.3 | Low | 45.8 | Very low | 145 Ų | 145 | 107.9 Ų | 107.9 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -83.2 | -30.8 | -179.2 | -74.6 | -179.8 | -178.4 | -177.8 | 0 | 113.7 | E296 K297 R298 N302 L303 | E296-K300 WeakPolarHBondContact O-CG 3.49Å; E296-K300 PolarHBondContact O-N 3.18Å; E296-K300 VanDerWaalsContact O-N 3.09Å; K297-K300 PolarHBondContact O-N 2.88Å; R298-K300 VanDerWaalsContact C-N 3.31Å; R298-K300 PolarHBondContact O-N 2.86Å; K300-N302 PolarHBondContact O-N 3.01Å; K300-L303 PolarHBondContact O-N 2.82Å |
| 301 | S | 50 | Low | 44.6 | Very low | 75 Ų | 75 | 102.9 Ų | 102.9 | 52% | 0.524 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.6 | -24.8 | 172.7 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | K297 R298 L303 | K297-S301 PolarHBondContact O-N 3.43Å; R298-S301 PolarHBondContact O-OG 3.49Å; S301-L303 VanDerWaalsContact C-N 3.35Å; S301-L303 PolarHBondContact O-N 3.16Å |
| 302 | N | 44.3 | Very low | 43.4 | Very low | 76 Ų | 76 | 106.6 Ų | 106.6 | 41% | 0.406 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.8 | 8 | -174.7 | -67.6 | -2.2 | 0 | 0 | 0 | 115.2 | V247 E267 K300 | V247-N302 WeakPolarHBondContact CG1-ND2 3.39Å; E267-N302 PolarHBondContact OE1-ND2 3.18Å; E267-N302 PolarHBondContact OE1-OD1 3.39Å; E267-N302 VanDerWaalsContact OE1-OD1 3.07Å; E267-N302 PolarHBondContact OE2-ND2 2.93Å; K300-N302 PolarHBondContact O-N 3.01Å |
| 303 | L | 39.9 | Very low | 41.8 | Very low | 139 Ų | 139 | 111.9 Ų | 111.9 | 73% | 0.728 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 9.7 | -175.7 | -112.1 | 145 | 0 | 0 | 0 | 115.2 | K300 S301 | K300-L303 PolarHBondContact O-N 2.82Å; S301-L303 VanDerWaalsContact C-N 3.35Å; S301-L303 PolarHBondContact O-N 3.16Å |
| 304 | L | 36 | Very low | 40.3 | Very low | 117 Ų | 117 | 114.6 Ų | 114.6 | 61% | 0.613 | 62% | 0.618 | S | S | * | * | trans | -134 | 99.4 | 178.5 | -76.1 | 133.8 | 0 | 0 | 0 | 113.9 | N306 | L304-N306 VanDerWaalsContact CD2-O 3.28Å; L304-N306 WeakPolarHBondContact CD2-O 3.1Å | ||
| 305 | P | 38.7 | Very low | 39 | Very low | 119 Ų | 119 | 118.3 Ų | 118.3 | 77% | 0.773 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -104.1 | 64.7 | 145.8 | 34.2 | -23.9 | 0 | 0 | 0 | 108.4 | ||
| 306 | N | 29.1 | Very low | 37.6 | Very low | 141 Ų | 141 | 125 Ų | 125 | 75% | 0.754 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 171 | 117.4 | 154.9 | -91.1 | -21.4 | 0 | 0 | 0 | 109.1 | L304 L308 | L304-N306 VanDerWaalsContact CD2-O 3.28Å; L304-N306 WeakPolarHBondContact CD2-O 3.1Å; N306-L308 PolarHBondContact O-N 3.21Å |
| 307 | G | 35.4 | Very low | 36.2 | Very low | 76 Ų | 76 | 125.9 Ų | 125.9 | 78% | 0.784 | 67% | 0.672 | S | S | * | * | trans | -59.9 | 105.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 308 | L | 27.8 | Very low | 35 | Very low | 150 Ų | 150 | 127 Ų | 127 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | trans | -154.7 | 102.1 | 152.6 | -100.7 | 131.4 | 0 | 0 | 0 | 106.1 | N306 E310 | N306-L308 PolarHBondContact O-N 3.21Å; L308-E310 PolarHBondContact O-N 3.26Å | ||
| 309 | V | 28.4 | Very low | 33.8 | Very low | 137 Ų | 137 | 126.5 Ų | 126.5 | 83% | 0.83 | 71% | 0.71 | S | S | * | * | trans | -72.9 | 102.1 | 171.2 | 179.4 | 0 | 0 | 0 | 0 | 106.4 | G311 | V309-G311 PolarHBondContact O-N 3.06Š| ||
| 310 | E | 25.6 | Very low | 33.1 | Very low | 180 Ų | 180 | 127 Ų | 127 | 84% | 0.841 | 71% | 0.713 | S | S | * | * | trans | -74.9 | 101.5 | 156 | -79.2 | -171.4 | 161.3 | 0 | 0 | 106.7 | L308 E312 | L308-E310 PolarHBondContact O-N 3.26Å; E310-E312 PolarHBondContact O-N 3.14Å; E310-E312 VanDerWaalsContact O-N 3.17Å | ||
| 311 | G | 28.1 | Very low | 32.9 | Very low | 63 Ų | 63 | 121.3 Ų | 121.3 | 65% | 0.649 | 70% | 0.696 | S | S | * | * | trans | -67.3 | 103.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | V309 E313 | V309-G311 PolarHBondContact O-N 3.06Å; G311-E313 PolarHBondContact O-N 3.38Å | ||
| 312 | E | 25.1 | Very low | 33.2 | Very low | 183 Ų | 183 | 119.4 Ų | 119.4 | 86% | 0.855 | 69% | 0.688 | S | S | * | * | trans | -76.4 | 108.3 | 153.7 | -73.8 | -171 | 158 | 0 | 0 | 107.1 | E310 E314 | E310-E312 PolarHBondContact O-N 3.14Å; E310-E312 VanDerWaalsContact O-N 3.17Å; E312-E314 PolarHBondContact O-N 3.29Å | ||
| 313 | E | 26.6 | Very low | 33.8 | Very low | 180 Ų | 180 | 120.5 Ų | 120.5 | 84% | 0.841 | 70% | 0.7 | S | S | * | * | trans | -53.9 | 98.1 | 165.9 | -64.4 | 176.6 | 158.2 | 0 | 0 | 108.9 | G311 D315 | G311-E313 PolarHBondContact O-N 3.38Å; E313-D315 PolarHBondContact O-N 3.46Å | ||
| 314 | E | 27.2 | Very low | 34.6 | Very low | 155 Ų | 155 | 116.5 Ų | 116.5 | 72% | 0.724 | 68% | 0.677 | S | S | * | * | trans | -76.5 | 96.3 | 156.6 | -81.2 | -173.6 | 164.8 | 0 | 0 | 106.6 | E312 K895 | E312-E314 PolarHBondContact O-N 3.29Å; E314-K895 IonicContact OE2-NZ 3.73Å; E314-K895 PolarHBondContact OE2-NZ 2.99Å | ||
| 315 | D | 26 | Very low | 36 | Very low | 147 Ų | 147 | 111.9 Ų | 111.9 | 79% | 0.786 | 65% | 0.653 | S | S | * | * | trans | -42.3 | 147.2 | 175.9 | -91.2 | -39.6 | 0 | 0 | 0 | 114.2 | E313 | E313-D315 PolarHBondContact O-N 3.46Š| ||
| 316 | E | 27.4 | Very low | 37.3 | Very low | 180 Ų | 180 | 113 Ų | 113 | 84% | 0.841 | 65% | 0.648 | S | S | * | * | trans | -64.4 | 156.6 | -168.5 | -59.8 | 172.6 | 134.6 | 0 | 0 | 115.6 | ||||
| 317 | D | 25 | Very low | 39.3 | Very low | 145 Ų | 145 | 114.9 Ų | 114.9 | 78% | 0.775 | 65% | 0.645 | S | S | * | * | trans | 100.9 | 118.3 | 131.1 | -125.2 | 0.3 | 0 | 0 | 0 | 121.1 | ||||
| 318 | S | 29.4 | Very low | 41 | Very low | 104 Ų | 104 | 113.5 Ų | 113.5 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | trans | 57 | 113.2 | 143.4 | 74.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 319 | G | 34.4 | Very low | 43 | Very low | 70 Ų | 70 | 109.8 Ų | 109.8 | 72% | 0.722 | 62% | 0.619 | S | S | * | * | trans | 118.1 | 147.7 | 141.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | G321 | G319-G321 PolarHBondContact O-N 2.93Š| ||
| 320 | H | 40.2 | Very low | 45.5 | Very low | 84 Ų | 84 | 112.7 Ų | 112.7 | 39% | 0.389 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -55.9 | -0.2 | 179.6 | -133.3 | 2.7 | 0 | 0 | 0 | 115.7 | D886 | H320-D886 IonicContact CE1-OD1 3.85Å; H320-D886 PolarHBondContact CE1-OD1 3.4Å; H320-D886 IonicContact ND1-OD1 2.74Å; H320-D886 PolarHBondContact ND1-OD1 3.17Å; H320-D886 VanDerWaalsContact ND1-OD1 3.09Å; H320-D886 IonicContact NE2-OD1 3.81Å |
| 321 | G | 47 | Very low | 48.2 | Very low | 26 Ų | 26 | 114.3 Ų | 114.3 | 27% | 0.268 | 61% | 0.613 | S | S | . | * | trans | -104.3 | 121.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G319 | G319-G321 PolarHBondContact O-N 2.93Š| ||
| 322 | G | 56.2 | Low | 50.8 | Low | 35 Ų | 35 | 114.7 Ų | 114.7 | 36% | 0.361 | 60% | 0.597 | S | S | . | * | trans | -58.6 | 171.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E324 L325 | G322-E324 PolarHBondContact O-N 3.23Å; G322-L325 PolarHBondContact O-N 3.11Å | ||
| 323 | P | 55.7 | Low | 53.6 | Low | 100 Ų | 100 | 106.4 Ų | 106.4 | 65% | 0.649 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -7.9 | 177.2 | 24.8 | -34.7 | 0 | 0 | 0 | 113.8 | ||
| 324 | E | 58.1 | Low | 56.2 | Low | 54 Ų | 54 | 98 Ų | 98 | 25% | 0.252 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -19.9 | 178.1 | -40.3 | -168.3 | 116.8 | 0 | 0 | 113.8 | G322 R341 C699 | G322-E324 PolarHBondContact O-N 3.23Å; E324-R341 VanDerWaalsContact CB-NH1 3.34Å; E324-R341 VanDerWaalsContact CG-CZ 3.48Å; E324-R341 WeakPolarHBondContact OE1-CD 3.45Å; E324-R341 IonicContact OE1-CZ 3.98Å; E324-R341 VanDerWaalsContact OE1-CZ 3.24Å; E324-R341 IonicContact OE1-NE 3.2Å; E324-R341 PolarHBondContact OE1-NE 3.22Å; E324-R341 IonicContact OE1-NH1 3.87Å; E324-R341 PolarHBondContact OE1-NH1 2.89Å; E324-C699 VanDerWaalsContact CD-SG 3.54Å; E324-C699 PolarHBondContact OE1-N 3.17Å; E324-C699 PolarHBondContact OE2-SG 3.45Å |
| 325 | L | 64.7 | Low | 59 | Low | 21 Ų | 21 | 91.5 Ų | 91.5 | 11% | 0.11 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -117.2 | 5.4 | -174.6 | -70.2 | 150.6 | 0 | 0 | 0 | 113.6 | G322 S463 S464 V466 C467 Y701 | G322-L325 PolarHBondContact O-N 3.11Å; L325-S463 WeakPolarHBondContact CD2-O 3.42Å; L325-S464 WeakPolarHBondContact O-CB 3.42Å; L325-V466 HydrophobicContact CD2-CB 4.08Å; L325-V466 HydrophobicContact CD2-CG1 4.47Å; L325-C467 WeakPolarHBondContact CB-SG 3.49Å; L325-Y701 HydrophobicContact CD1-CE2 4.08Å; L325-Y701 HydrophobicContact CD2-CD2 3.81Å; L325-Y701 HydrophobicContact CD2-CE2 3.91Å; L325-Y701 HydrophobicContact CD2-CG 4.43Å; L325-Y701 HydrophobicContact CG-CD2 4.24Å; L325-Y701 HydrophobicContact CG-CE2 4.03Å |
| 326 | Q | 66.7 | Low | 62 | Low | 142 Ų | 142 | 89.6 Ų | 89.6 | 66% | 0.664 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -72 | 137.8 | 175.5 | -72 | -176.3 | -8.8 | 0 | 0 | 110.9 | T328 | Q326-T328 PolarHBondContact O-N 2.87Š|
| 327 | R | 70.4 | Confident | 64.7 | Low | 181 Ų | 181 | 84.7 Ų | 84.7 | 68% | 0.683 | 46% | 0.461 | S | S | * | . | trans | -71.5 | 118 | -178.1 | -161.1 | 174.1 | -171.2 | 173.2 | 3.5 | 109.7 | D461 | R327-D461 HydrophobicContact CG-CB 4.4Š| ||
| 328 | T | 70.3 | Confident | 67.6 | Low | 47 Ų | 47 | 78 Ų | 78 | 29% | 0.288 | 43% | 0.425 | S | S | . | . | trans | -81.8 | -16.5 | -173.5 | 69.2 | 0 | 0 | 0 | 0 | 113.8 | Q326 R330 G333 L337 D461 | Q326-T328 PolarHBondContact O-N 2.87Å; T328-R330 PolarHBondContact O-N 3.48Å; T328-R330 VanDerWaalsContact O-N 3.17Å; T328-G333 VanDerWaalsContact OG1-CA 3.31Å; T328-G333 WeakPolarHBondContact OG1-CA 3.12Å; T328-L337 HydrophobicContact CG2-CD1 3.59Å; T328-D461 PolarHBondContact N-OD2 3.41Å; T328-D461 PolarHBondContact OG1-OD2 3.18Å | ||
| 329 | G | 71.1 | Confident | 70.4 | Confident | 72 Ų | 72 | 77 Ų | 77 | 74% | 0.742 | 41% | 0.411 | S | S | * | . | trans | 70.6 | 3.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 330 | R | 79.9 | Confident | 73 | Confident | 197 Ų | 197 | 81.4 Ų | 81.4 | 74% | 0.743 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -112.8 | 144.5 | 177 | -63.9 | -178.6 | -178 | -178.9 | 1.4 | 110 | T328 F332 G333 | T328-R330 PolarHBondContact O-N 3.48Å; T328-R330 VanDerWaalsContact O-N 3.17Å; R330-F332 PolarHBondContact O-N 3.44Å; R330-G333 PolarHBondContact O-N 3.27Å |
| 331 | W | 83.1 | Confident | 75.1 | Confident | 214 Ų | 214 | 80.7 Ų | 80.7 | 81% | 0.811 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 128.2 | 174.6 | -72.2 | 53.8 | 0 | 0 | 0 | 109.5 | G333 A459 | W331-G333 PolarHBondContact O-N 3.47Å; W331-A459 HydrophobicContact CE3-CB 4.42Å |
| 332 | F | 83.2 | Confident | 77 | Confident | 71 Ų | 71 | 80 Ų | 80 | 31% | 0.311 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 16.7 | -173 | -61.6 | -83.9 | 0 | 0 | 0 | 115.2 | R330 G334 L335 I336 I455 V458 A459 | R330-F332 PolarHBondContact O-N 3.44Å; F332-G334 PolarHBondContact O-N 3.14Å; F332-L335 HydrophobicContact CD1-CD2 3.78Å; F332-L335 HydrophobicContact CE1-CD2 4.47Å; F332-L335 PolarHBondContact O-N 3.11Å; F332-I336 WeakPolarHBondContact O-CG1 3.29Å; F332-I336 PolarHBondContact O-N 3.32Å; F332-I336 VanDerWaalsContact O-N 3.15Å; F332-I455 HydrophobicContact CZ-CG2 4.34Å; F332-V458 HydrophobicContact CD1-CG1 4.34Å; F332-V458 HydrophobicContact CE1-CG1 4.45Å; F332-A459 HydrophobicContact CD1-CB 4.47Å; F332-A459 HydrophobicContact CD2-CB 4.3Å; F332-A459 HydrophobicContact CE1-CB 4.05Å; F332-A459 HydrophobicContact CE2-CB 3.85Å; F332-A459 HydrophobicContact CZ-CB 3.73Å; F332-A459 PolarHBondContact N-O 3.4Å |
| 333 | G | 82.2 | Confident | 78.4 | Confident | 9 Ų | 9 | 81.3 Ų | 81.3 | 9% | 0.093 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.1 | -43.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T328 R330 W331 L335 I336 L337 | T328-G333 VanDerWaalsContact OG1-CA 3.31Å; T328-G333 WeakPolarHBondContact OG1-CA 3.12Å; R330-G333 PolarHBondContact O-N 3.27Å; W331-G333 PolarHBondContact O-N 3.47Å; G333-L335 PolarHBondContact O-N 3.14Å; G333-I336 PolarHBondContact O-N 3.17Å; G333-L337 WeakPolarHBondContact O-CG 3.12Å; G333-L337 PolarHBondContact O-N 3.27Å |
| 334 | G | 82.9 | Confident | 79.9 | Confident | 5 Ų | 5 | 81 Ų | 81 | 5% | 0.052 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F332 I336 L337 D338 D461 | F332-G334 PolarHBondContact O-N 3.14Å; G334-I336 PolarHBondContact O-N 3.4Å; G334-L337 PolarHBondContact O-N 3.22Å; G334-D338 PolarHBondContact O-N 3.11Å; G334-D461 PolarHBondContact N-OD1 2.91Å; G334-D461 VanDerWaalsContact N-OD1 3.08Å |
| 335 | L | 86.1 | Confident | 81.2 | Confident | 17 Ų | 17 | 81.7 Ų | 81.7 | 9% | 0.089 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 179 | -179.8 | 69.3 | 0 | 0 | 0 | 112.7 | F332 G333 L337 D338 I339 V458 H702 L703 L706 | F332-L335 HydrophobicContact CD1-CD2 3.78Å; F332-L335 HydrophobicContact CE1-CD2 4.47Å; F332-L335 PolarHBondContact O-N 3.11Å; G333-L335 PolarHBondContact O-N 3.14Å; L335-L337 VanDerWaalsContact C-N 3.3Å; L335-L337 PolarHBondContact O-N 3.09Å; L335-D338 PolarHBondContact O-N 3.43Å; L335-I339 HydrophobicContact CD1-CD1 4.33Å; L335-I339 HydrophobicContact CG-CD1 4.1Å; L335-I339 WeakPolarHBondContact O-CG1 3.18Å; L335-I339 PolarHBondContact O-N 3.31Å; L335-V458 HydrophobicContact CB-CG1 4.31Å; L335-V458 HydrophobicContact CD2-CG1 4.42Å; L335-H702 HydrophobicContact CB-CB 4.27Å; L335-H702 HydrophobicContact CD1-CB 4.3Å; L335-L703 HydrophobicContact CD1-CB 4.15Å; L335-L703 HydrophobicContact CD1-CD1 4.04Å; L335-L706 HydrophobicContact CD1-CB 4.47Å; L335-L706 HydrophobicContact CD1-CD2 3.87Å; L335-L706 HydrophobicContact CD2-CD2 3.69Å; L335-L706 HydrophobicContact CG-CD2 4.44Å |
| 336 | I | 87 | Confident | 82.3 | Confident | 107 Ų | 107 | 84.5 Ų | 84.5 | 55% | 0.549 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | -179.6 | -66.6 | 167 | 0 | 0 | 0 | 110.5 | F332 G333 G334 I339 K340 | F332-I336 WeakPolarHBondContact O-CG1 3.29Å; F332-I336 PolarHBondContact O-N 3.32Å; F332-I336 VanDerWaalsContact O-N 3.15Å; G333-I336 PolarHBondContact O-N 3.17Å; G334-I336 PolarHBondContact O-N 3.4Å; I336-I339 PolarHBondContact O-N 3.49Å; I336-K340 WeakPolarHBondContact O-CB 3.47Å; I336-K340 PolarHBondContact O-N 2.89Å |
| 337 | L | 84.7 | Confident | 83.2 | Confident | 78 Ų | 78 | 84.6 Ų | 84.6 | 41% | 0.408 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 176 | -68.1 | 177.5 | 0 | 0 | 0 | 111.9 | T328 G333 G334 L335 I339 K340 R341 | T328-L337 HydrophobicContact CG2-CD1 3.59Å; G333-L337 WeakPolarHBondContact O-CG 3.12Å; G333-L337 PolarHBondContact O-N 3.27Å; G334-L337 PolarHBondContact O-N 3.22Å; L335-L337 VanDerWaalsContact C-N 3.3Å; L335-L337 PolarHBondContact O-N 3.09Å; L337-I339 PolarHBondContact O-N 3.44Å; L337-K340 PolarHBondContact O-N 2.99Å; L337-R341 WeakPolarHBondContact O-CB 3.36Å; L337-R341 PolarHBondContact O-N 3.49Å |
| 338 | D | 87.2 | Confident | 83.9 | Confident | 3 Ų | 3 | 77.9 Ų | 77.9 | 2% | 0.016 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 176.2 | -74.3 | -2.1 | 0 | 0 | 0 | 111.1 | G334 L335 R341 K342 G700 Y701 H702 L703 | G334-D338 PolarHBondContact O-N 3.11Å; L335-D338 PolarHBondContact O-N 3.43Å; D338-R341 PolarHBondContact O-N 3.23Å; D338-K342 PolarHBondContact O-N 3.41Å; D338-K342 VanDerWaalsContact O-N 3.09Å; D338-G700 WeakPolarHBondContact OD2-CA 3.06Å; D338-Y701 PolarHBondContact OD2-N 2.92Å; D338-H702 VanDerWaalsContact OD2-CB 3.31Å; D338-H702 WeakPolarHBondContact OD2-CB 3.39Å; D338-H702 IonicContact OD2-CG 2.65Å; D338-H702 PolarHBondContact OD2-N 2.69Å; D338-H702 IonicContact OD2-ND1 2.98Å; D338-H702 PolarHBondContact OD2-ND1 3.15Å; D338-L703 HydrophobicContact CB-CB 4.35Å |
| 339 | I | 88.1 | Confident | 84.8 | Confident | 84 Ų | 84 | 75.7 Ų | 75.7 | 43% | 0.431 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 177.5 | -67 | 169.6 | 0 | 0 | 0 | 110.8 | L335 I336 L337 R341 K342 A343 L703 | L335-I339 HydrophobicContact CD1-CD1 4.33Å; L335-I339 HydrophobicContact CG-CD1 4.1Å; L335-I339 WeakPolarHBondContact O-CG1 3.18Å; L335-I339 PolarHBondContact O-N 3.31Å; I336-I339 PolarHBondContact O-N 3.49Å; L337-I339 PolarHBondContact O-N 3.44Å; I339-R341 VanDerWaalsContact C-N 3.26Å; I339-R341 PolarHBondContact O-N 3.33Å; I339-K342 PolarHBondContact O-N 2.87Å; I339-A343 WeakPolarHBondContact O-CB 3.36Å; I339-A343 PolarHBondContact O-N 3.32Å; I339-L703 HydrophobicContact CG1-CD1 4.22Å; I339-L703 HydrophobicContact CG1-CD2 4.42Å |
| 340 | K | 88.5 | Confident | 85.6 | Confident | 162 Ų | 162 | 76 Ų | 76 | 70% | 0.704 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61 | -36.3 | -179.5 | -171.8 | 178.8 | -179.6 | -176.2 | 0 | 112 | I336 L337 | I336-K340 WeakPolarHBondContact O-CB 3.47Å; I336-K340 PolarHBondContact O-N 2.89Å; L337-K340 PolarHBondContact O-N 2.99Å |
| 341 | R | 84.5 | Confident | 85.8 | Confident | 70 Ų | 70 | 70.6 Ų | 70.6 | 26% | 0.264 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72 | -38.5 | 177.4 | -166.5 | -179 | -61.1 | 129.7 | 7.4 | 112.3 | E324 L337 D338 I339 P344 C699 | E324-R341 VanDerWaalsContact CB-NH1 3.34Å; E324-R341 VanDerWaalsContact CG-CZ 3.48Å; E324-R341 WeakPolarHBondContact OE1-CD 3.45Å; E324-R341 IonicContact OE1-CZ 3.98Å; E324-R341 VanDerWaalsContact OE1-CZ 3.24Å; E324-R341 IonicContact OE1-NE 3.2Å; E324-R341 PolarHBondContact OE1-NE 3.22Å; E324-R341 IonicContact OE1-NH1 3.87Å; E324-R341 PolarHBondContact OE1-NH1 2.89Å; L337-R341 WeakPolarHBondContact O-CB 3.36Å; L337-R341 PolarHBondContact O-N 3.49Å; D338-R341 PolarHBondContact O-N 3.23Å; I339-R341 VanDerWaalsContact C-N 3.26Å; I339-R341 PolarHBondContact O-N 3.33Å; R341-P344 WeakPolarHBondContact O-CD 3.4Å; R341-C699 PolarHBondContact NH1-O 3.15Å |
| 342 | K | 85.9 | Confident | 85.8 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -86.8 | -29.1 | -174.1 | -158.7 | 66.5 | 171.1 | -164.9 | 0 | 114.3 | D338 I339 P344 H345 Y346 G409 | D338-K342 PolarHBondContact O-N 3.41Å; D338-K342 VanDerWaalsContact O-N 3.09Å; I339-K342 PolarHBondContact O-N 2.87Å; K342-P344 VanDerWaalsContact C-CD 3.45Å; K342-H345 PolarHBondContact O-N 2.78Å; K342-Y346 PolarHBondContact O-N 3.15Å; K342-G409 WeakPolarHBondContact CE-O 3.44Å; K342-G409 PolarHBondContact NZ-O 3.22Å |
| 343 | A | 86.3 | Confident | 85.8 | Confident | 62 Ų | 62 | 61 Ų | 61 | 51% | 0.512 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -47.4 | -47.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | I339 H345 Y346 | I339-A343 WeakPolarHBondContact O-CB 3.36Å; I339-A343 PolarHBondContact O-N 3.32Å; A343-H345 VanDerWaalsContact C-N 3.28Å; A343-H345 PolarHBondContact O-N 3.1Å; A343-Y346 PolarHBondContact O-N 2.74Å |
| 344 | P | 87.1 | Confident | 85.8 | Confident | 93 Ų | 93 | 67.8 Ų | 67.8 | 60% | 0.604 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -68.5 | -26.2 | -178.2 | 26.9 | -35.5 | 0 | 0 | 0 | 113.5 | R341 K342 | R341-P344 WeakPolarHBondContact O-CD 3.4Å; K342-P344 VanDerWaalsContact C-CD 3.45Å |
| 345 | H | 85.7 | Confident | 85.7 | Confident | 69 Ų | 69 | 68.8 Ų | 68.8 | 32% | 0.319 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -87.7 | -5 | -177.9 | -62.6 | -61.2 | 0 | 0 | 0 | 113.5 | K342 A343 L347 S348 D349 K697 | K342-H345 PolarHBondContact O-N 2.78Å; A343-H345 VanDerWaalsContact C-N 3.28Å; A343-H345 PolarHBondContact O-N 3.1Å; H345-L347 VanDerWaalsContact C-N 3.35Å; H345-L347 PolarHBondContact O-N 3.17Å; H345-S348 PolarHBondContact O-N 3.15Å; H345-S348 PolarHBondContact O-OG 3.26Å; H345-D349 PolarHBondContact O-N 3.22Å; H345-K697 HydrophobicContact CB-CD 4.05Å; H345-K697 HydrophobicContact CB-CG 4.11Å |
| 346 | Y | 86.8 | Confident | 85.5 | Confident | 81 Ų | 81 | 72.9 Ų | 72.9 | 32% | 0.318 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -39.8 | -174.7 | -166.2 | -96.5 | 0 | 0 | 0 | 113.4 | K342 A343 Y350 L406 | K342-Y346 PolarHBondContact O-N 3.15Å; A343-Y346 PolarHBondContact O-N 2.74Å; Y346-Y350 HydrophobicContact CD1-CE2 4.12Å; Y346-Y350 AromaticContact CE1-CE2 3.64Å; Y346-Y350 HydrophobicContact CE1-CE2 3.64Å; Y346-Y350 WeakPolarHBondContact O-CD2 3.4Å; Y346-Y350 PolarHBondContact OH-OH 3.32Å; Y346-L406 VanDerWaalsContact CE2-O 3.29Å; Y346-L406 WeakPolarHBondContact CE2-O 3.31Å; Y346-L406 PolarHBondContact OH-O 2.87Å; Y346-L406 VanDerWaalsContact OH-O 3.12Å |
| 347 | L | 85.6 | Confident | 85.3 | Confident | 144 Ų | 144 | 69 Ų | 69 | 75% | 0.754 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -33.5 | 179.5 | -67.5 | 175.8 | 0 | 0 | 0 | 112.5 | H345 D349 Y350 | H345-L347 VanDerWaalsContact C-N 3.35Å; H345-L347 PolarHBondContact O-N 3.17Å; L347-D349 VanDerWaalsContact C-N 3.28Å; L347-D349 PolarHBondContact O-N 2.97Å; L347-Y350 PolarHBondContact O-N 3.04Å |
| 348 | S | 86.6 | Confident | 85.4 | Confident | 40 Ų | 40 | 65.5 Ų | 65.5 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.8 | -30.4 | 178 | 63.7 | 0 | 0 | 0 | 0 | 112 | H345 Y350 S351 D352 | H345-S348 PolarHBondContact O-N 3.15Å; H345-S348 PolarHBondContact O-OG 3.26Å; S348-Y350 PolarHBondContact O-N 3.28Å; S348-Y350 VanDerWaalsContact O-N 3.17Å; S348-S351 PolarHBondContact O-N 3.43Å; S348-S351 VanDerWaalsContact O-N 3.11Å; S348-D352 WeakPolarHBondContact O-CB 3.45Å; S348-D352 VanDerWaalsContact O-CG 3.25Å; S348-D352 PolarHBondContact O-N 3.2Å |
| 349 | D | 88 | Confident | 85.3 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.3 | -28.8 | 175.6 | -68.7 | -13.7 | 0 | 0 | 0 | 113.8 | H345 L347 K697 Q758 R759 | H345-D349 PolarHBondContact O-N 3.22Å; L347-D349 VanDerWaalsContact C-N 3.28Å; L347-D349 PolarHBondContact O-N 2.97Å; D349-K697 VanDerWaalsContact OD1-CD 3.28Å; D349-K697 WeakPolarHBondContact OD1-CD 3.26Å; D349-K697 WeakPolarHBondContact OD1-CE 3.41Å; D349-K697 IonicContact OD1-NZ 3.59Å; D349-K697 PolarHBondContact OD1-NZ 2.91Å; D349-Q758 WeakPolarHBondContact O-CB 3.28Å; D349-R759 HydrophobicContact CB-CB 4.46Å; D349-R759 HydrophobicContact CB-CG 3.95Å; D349-R759 WeakPolarHBondContact OD2-CD 3.47Å; D349-R759 IonicContact OD2-CZ 3.05Å; D349-R759 IonicContact OD2-NE 2.73Å; D349-R759 PolarHBondContact OD2-NE 2.88Å; D349-R759 IonicContact OD2-NH2 3.59Å |
| 350 | Y | 87.7 | Confident | 85.1 | Confident | 80 Ų | 80 | 64.1 Ų | 64.1 | 31% | 0.314 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -84.8 | -33.7 | 176.8 | -70.5 | -85.5 | 0 | 0 | 0 | 112.5 | Y346 L347 S348 L406 V760 | Y346-Y350 HydrophobicContact CD1-CE2 4.12Å; Y346-Y350 AromaticContact CE1-CE2 3.64Å; Y346-Y350 HydrophobicContact CE1-CE2 3.64Å; Y346-Y350 WeakPolarHBondContact O-CD2 3.4Å; Y346-Y350 PolarHBondContact OH-OH 3.32Å; L347-Y350 PolarHBondContact O-N 3.04Å; S348-Y350 PolarHBondContact O-N 3.28Å; S348-Y350 VanDerWaalsContact O-N 3.17Å; Y350-L406 WeakPolarHBondContact OH-CD2 3.41Å; Y350-V760 HydrophobicContact CD1-CG2 3.59Å; Y350-V760 HydrophobicContact CE1-CG2 4.09Å; Y350-V760 HydrophobicContact CG-CG2 4.42Å |
| 351 | S | 84.3 | Confident | 84.9 | Confident | 83 Ų | 83 | 56.5 Ų | 56.5 | 58% | 0.58 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -69.7 | -39.2 | 175.9 | -169.6 | 0 | 0 | 0 | 0 | 111.6 | S348 A353 I354 | S348-S351 PolarHBondContact O-N 3.43Å; S348-S351 VanDerWaalsContact O-N 3.11Å; S351-A353 PolarHBondContact O-N 3.34Å; S351-I354 PolarHBondContact O-N 2.95Å |
| 352 | D | 82.8 | Confident | 85.1 | Confident | 72 Ų | 72 | 55.1 Ų | 55.1 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -15 | -179.2 | -67.9 | -24.1 | 0 | 0 | 0 | 113.2 | S348 K697 | S348-D352 WeakPolarHBondContact O-CB 3.45Å; S348-D352 VanDerWaalsContact O-CG 3.25Å; S348-D352 PolarHBondContact O-N 3.2Å; D352-K697 IonicContact OD2-NZ 3.28Å; D352-K697 PolarHBondContact OD2-NZ 3.45Å |
| 353 | A | 83 | Confident | 85.1 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S351 S355 C358 Q758 V760 | S351-A353 PolarHBondContact O-N 3.34Å; A353-S355 PolarHBondContact O-N 3.17Å; A353-C358 WeakPolarHBondContact O-CB 3.03Å; A353-Q758 HydrophobicContact CB-CB 4.16Å; A353-V760 HydrophobicContact CB-CB 3.57Å; A353-V760 HydrophobicContact CB-CG1 4.26Å; A353-V760 HydrophobicContact CB-CG2 3.45Å; A353-V760 VanDerWaalsContact CB-CG2 3.45Å |
| 354 | I | 82.7 | Confident | 85 | Confident | 151 Ų | 151 | 54.9 Ų | 54.9 | 77% | 0.774 | 30% | 0.295 | S | S | * | . | trans | -81.6 | 70.9 | -175.4 | -51.6 | 176 | 0 | 0 | 0 | 109.5 | S351 | S351-I354 PolarHBondContact O-N 2.95Š| ||
| 355 | S | 80.9 | Confident | 85 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -143.6 | 150.2 | 175.3 | 75.2 | 0 | 0 | 0 | 0 | 111.8 | A353 Q357 C358 V359 R756 | A353-S355 PolarHBondContact O-N 3.17Å; S355-Q357 PolarHBondContact O-N 3.21Å; S355-C358 WeakPolarHBondContact O-CB 3.48Å; S355-C358 PolarHBondContact O-N 3.29Å; S355-C358 VanDerWaalsContact O-N 3.11Å; S355-C358 PolarHBondContact OG-N 3.45Å; S355-C358 PolarHBondContact OG-SG 2.69Å; S355-V359 PolarHBondContact O-N 2.69Å; S355-R756 PolarHBondContact OG-NH1 2.75Å |
| 356 | L | 81.8 | Confident | 85.1 | Confident | 103 Ų | 103 | 48.5 Ų | 48.5 | 54% | 0.539 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.5 | -31.9 | 179.6 | -169 | 70.9 | 0 | 0 | 0 | 112.2 | C358 V359 A360 I608 F612 | L356-C358 VanDerWaalsContact C-N 3.33Å; L356-C358 PolarHBondContact O-N 3.07Å; L356-V359 WeakPolarHBondContact O-CB 3.31Å; L356-V359 PolarHBondContact O-N 3.38Å; L356-A360 PolarHBondContact O-N 3.02Å; L356-A360 VanDerWaalsContact O-N 3.14Å; L356-I608 HydrophobicContact CD2-CD1 3.93Å; L356-I608 HydrophobicContact CD2-CG1 4.04Å; L356-F612 HydrophobicContact CG-CE2 4.47Å |
| 357 | Q | 83.8 | Confident | 84.8 | Confident | 25 Ų | 25 | 45.3 Ų | 45.3 | 12% | 0.117 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.2 | -38.9 | 175.6 | -175 | -178.7 | 3.9 | 0 | 0 | 112.1 | S355 V359 A360 S361 S736 K738 L739 R756 | S355-Q357 PolarHBondContact O-N 3.21Å; Q357-V359 VanDerWaalsContact C-N 3.27Å; Q357-V359 PolarHBondContact O-N 2.96Å; Q357-A360 PolarHBondContact O-N 3.13Å; Q357-S361 WeakPolarHBondContact O-CB 3.38Å; Q357-S361 PolarHBondContact O-N 3.33Å; Q357-S736 PolarHBondContact NE2-O 3.33Å; Q357-K738 PolarHBondContact NE2-O 2.99Å; Q357-K738 VanDerWaalsContact NE2-O 3.15Å; Q357-L739 VanDerWaalsContact OE1-CD2 3.31Å; Q357-R756 VanDerWaalsContact OE1-NH1 3.09Å |
| 358 | C | 85.4 | Confident | 84.6 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.4 | -36.1 | 176 | -66.4 | 0 | 0 | 0 | 0 | 111.4 | A353 S355 L356 S361 F362 T761 | A353-C358 WeakPolarHBondContact O-CB 3.03Å; S355-C358 WeakPolarHBondContact O-CB 3.48Å; S355-C358 PolarHBondContact O-N 3.29Å; S355-C358 VanDerWaalsContact O-N 3.11Å; S355-C358 PolarHBondContact OG-N 3.45Å; S355-C358 PolarHBondContact OG-SG 2.69Å; L356-C358 VanDerWaalsContact C-N 3.33Å; L356-C358 PolarHBondContact O-N 3.07Å; C358-S361 PolarHBondContact O-N 3.44Å; C358-F362 VanDerWaalsContact O-CD1 3.23Å; C358-F362 WeakPolarHBondContact O-CD1 3.3Å; C358-F362 PolarHBondContact O-N 3.07Å; C358-T761 HydrophobicContact CB-CG2 3.97Å |
| 359 | V | 86.7 | Confident | 84.4 | Confident | 57 Ų | 57 | 36.8 Ų | 36.8 | 35% | 0.345 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.6 | -46.1 | 175.9 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | S355 L356 Q357 S361 F362 L363 | S355-V359 PolarHBondContact O-N 2.69Å; L356-V359 WeakPolarHBondContact O-CB 3.31Å; L356-V359 PolarHBondContact O-N 3.38Å; Q357-V359 VanDerWaalsContact C-N 3.27Å; Q357-V359 PolarHBondContact O-N 2.96Å; V359-S361 VanDerWaalsContact C-N 3.31Å; V359-S361 PolarHBondContact O-N 3.32Å; V359-F362 VanDerWaalsContact CA-CE1 3.43Å; V359-F362 HydrophobicContact CB-CE1 3.98Å; V359-F362 HydrophobicContact CG1-CE1 3.88Å; V359-F362 HydrophobicContact CG1-CZ 3.95Å; V359-F362 HydrophobicContact CG2-CE1 4.06Å; V359-L363 HydrophobicContact CG1-CD1 4.18Å; V359-L363 WeakPolarHBondContact O-CG 3.26Å; V359-L363 PolarHBondContact O-N 3.04Å |
| 360 | A | 82.9 | Confident | 84.2 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L356 Q357 F364 D611 F612 | L356-A360 PolarHBondContact O-N 3.02Å; L356-A360 VanDerWaalsContact O-N 3.14Å; Q357-A360 PolarHBondContact O-N 3.13Å; A360-F364 WeakPolarHBondContact O-CB 3.36Å; A360-F364 PolarHBondContact O-N 3.35Å; A360-D611 HydrophobicContact CB-CB 4.17Å; A360-F612 VanDerWaalsContact CA-CE1 3.43Å; A360-F612 HydrophobicContact CB-CD1 3.78Å; A360-F612 HydrophobicContact CB-CD2 3.82Å; A360-F612 HydrophobicContact CB-CE1 3.58Å; A360-F612 HydrophobicContact CB-CE2 3.61Å; A360-F612 HydrophobicContact CB-CG 3.91Å; A360-F612 HydrophobicContact CB-CZ 3.48Å; A360-F612 VanDerWaalsContact CB-CZ 3.48Å |
| 361 | S | 85.3 | Confident | 83.7 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.5 | -50.9 | -178.2 | 179.3 | 0 | 0 | 0 | 0 | 112.4 | Q357 C358 V359 L363 F364 L365 S736 | Q357-S361 WeakPolarHBondContact O-CB 3.38Å; Q357-S361 PolarHBondContact O-N 3.33Å; C358-S361 PolarHBondContact O-N 3.44Å; V359-S361 VanDerWaalsContact C-N 3.31Å; V359-S361 PolarHBondContact O-N 3.32Å; S361-L363 PolarHBondContact O-N 3.45Å; S361-F364 PolarHBondContact O-N 3.48Å; S361-L365 WeakPolarHBondContact O-CB 3.43Å; S361-L365 WeakPolarHBondContact O-CD1 3Å; S361-L365 WeakPolarHBondContact O-CG 3.48Å; S361-L365 PolarHBondContact O-N 3.36Å; S361-S736 WeakPolarHBondContact CB-OG 3.27Å; S361-S736 PolarHBondContact OG-OG 3.45Å |
| 362 | F | 88.1 | Confident | 83.4 | Confident | 41 Ų | 41 | 30 Ų | 30 | 18% | 0.18 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.5 | -34 | -177.2 | 79.7 | -113.5 | 0 | 0 | 0 | 112.8 | C358 V359 Y366 T761 M764 I765 L768 | C358-F362 VanDerWaalsContact O-CD1 3.23Å; C358-F362 WeakPolarHBondContact O-CD1 3.3Å; C358-F362 PolarHBondContact O-N 3.07Å; V359-F362 VanDerWaalsContact CA-CE1 3.43Å; V359-F362 HydrophobicContact CB-CE1 3.98Å; V359-F362 HydrophobicContact CG1-CE1 3.88Å; V359-F362 HydrophobicContact CG1-CZ 3.95Å; V359-F362 HydrophobicContact CG2-CE1 4.06Å; F362-Y366 VanDerWaalsContact O-CB 3.24Å; F362-Y366 WeakPolarHBondContact O-CB 3.34Å; F362-Y366 PolarHBondContact O-N 2.86Å; F362-T761 HydrophobicContact CB-CG2 4.45Å; F362-M764 HydrophobicContact CB-CB 4.36Å; F362-M764 HydrophobicContact CD1-CB 4.44Å; F362-M764 HydrophobicContact CD2-CB 4.37Å; F362-M764 HydrophobicContact CG-CB 4.18Å; F362-I765 HydrophobicContact CB-CG1 3.96Å; F362-L768 HydrophobicContact CD2-CD1 3.69Å; F362-L768 HydrophobicContact CE2-CD1 3.73Å |
| 363 | L | 85.9 | Confident | 83.5 | Confident | 48 Ų | 48 | 26.8 Ų | 26.8 | 25% | 0.251 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -68 | -43.7 | 176.8 | -73 | 175 | 0 | 0 | 0 | 111.8 | V359 S361 C367 F612 F615 | V359-L363 HydrophobicContact CG1-CD1 4.18Å; V359-L363 WeakPolarHBondContact O-CG 3.26Å; V359-L363 PolarHBondContact O-N 3.04Å; S361-L363 PolarHBondContact O-N 3.45Å; L363-C367 PolarHBondContact O-N 2.95Å; L363-F612 HydrophobicContact CD1-CE1 4.39Å; L363-F615 HydrophobicContact CB-CD2 4.15Å; L363-F615 HydrophobicContact CB-CE2 4.33Å |
| 364 | F | 84.4 | Confident | 83.4 | Confident | 20 Ų | 20 | 27 Ų | 27 | 9% | 0.088 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.8 | -51.9 | 173.5 | 158.3 | -122.8 | 0 | 0 | 0 | 111 | A360 S361 Y366 C367 A368 V614 M794 | A360-F364 WeakPolarHBondContact O-CB 3.36Å; A360-F364 PolarHBondContact O-N 3.35Å; S361-F364 PolarHBondContact O-N 3.48Å; F364-Y366 VanDerWaalsContact C-N 3.31Å; F364-Y366 PolarHBondContact O-N 2.89Å; F364-C367 PolarHBondContact O-N 3.43Å; F364-A368 HydrophobicContact CE2-CB 4.23Å; F364-A368 PolarHBondContact O-N 3.04Å; F364-A368 VanDerWaalsContact O-N 3.1Å; F364-V614 HydrophobicContact CD2-CB 3.51Å; F364-V614 HydrophobicContact CD2-CG1 3.58Å; F364-V614 HydrophobicContact CD2-CG2 4.14Å; F364-V614 HydrophobicContact CE2-CB 3.67Å; F364-V614 HydrophobicContact CE2-CG1 3.49Å; F364-V614 VanDerWaalsContact CE2-CG1 3.49Å; F364-V614 HydrophobicContact CE2-CG2 3.89Å; F364-V614 HydrophobicContact CG-CB 4.4Å; F364-V614 HydrophobicContact CZ-CG2 4.44Å; F364-M794 HydrophobicContact CE2-SD 4.24Å; F364-M794 HydrophobicContact CZ-CG 4.39Å; F364-M794 HydrophobicContact CZ-SD 3.96Å |
| 365 | L | 86.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.1 | -30.1 | -176.4 | -74.6 | 161.5 | 0 | 0 | 0 | 112.9 | S361 A368 C369 I414 H733 I765 | S361-L365 WeakPolarHBondContact O-CB 3.43Å; S361-L365 WeakPolarHBondContact O-CD1 3Å; S361-L365 WeakPolarHBondContact O-CG 3.48Å; S361-L365 PolarHBondContact O-N 3.36Å; L365-A368 PolarHBondContact O-N 2.89Å; L365-C369 VanDerWaalsContact O-CB 3.25Å; L365-C369 WeakPolarHBondContact O-CB 3.15Å; L365-C369 PolarHBondContact O-N 3.28Å; L365-C369 PolarHBondContact O-SG 3.46Å; L365-I414 HydrophobicContact CD1-CD1 4.18Å; L365-I414 HydrophobicContact CD2-CD1 3.89Å; L365-I414 HydrophobicContact CG-CD1 4.46Å; L365-H733 HydrophobicContact CD1-CB 3.68Å; L365-H733 WeakPolarHBondContact CD1-CD2 3.46Å; L365-H733 HydrophobicContact CD2-CB 4.08Å; L365-I765 HydrophobicContact CB-CD1 3.43Å; L365-I765 VanDerWaalsContact CB-CD1 3.43Å; L365-I765 HydrophobicContact CB-CG1 3.94Å; L365-I765 HydrophobicContact CD1-CD1 3.75Å; L365-I765 HydrophobicContact CG-CD1 4.23Å |
| 366 | Y | 87.8 | Confident | 83.1 | Confident | 27 Ų | 27 | 20.1 Ų | 20.1 | 11% | 0.106 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -55.8 | -51.5 | 171.5 | 165.3 | -103.1 | 0 | 0 | 0 | 111.5 | F362 F364 A368 C369 M370 L768 M769 S772 | F362-Y366 VanDerWaalsContact O-CB 3.24Å; F362-Y366 WeakPolarHBondContact O-CB 3.34Å; F362-Y366 PolarHBondContact O-N 2.86Å; F364-Y366 VanDerWaalsContact C-N 3.31Å; F364-Y366 PolarHBondContact O-N 2.89Å; Y366-A368 VanDerWaalsContact C-N 3.32Å; Y366-A368 PolarHBondContact O-N 3.03Å; Y366-C369 PolarHBondContact O-N 3.15Å; Y366-M370 HydrophobicContact CE2-SD 4.26Å; Y366-M370 VanDerWaalsContact O-CB 3.26Å; Y366-M370 WeakPolarHBondContact O-CB 3.2Å; Y366-M370 PolarHBondContact O-N 3.12Å; Y366-L768 HydrophobicContact CD2-CB 3.63Å; Y366-L768 HydrophobicContact CE2-CB 3.88Å; Y366-L768 HydrophobicContact CG-CB 4.36Å; Y366-M769 HydrophobicContact CD2-CG 4.08Å; Y366-M769 HydrophobicContact CE2-CG 4.28Å; Y366-S772 VanDerWaalsContact OH-CB 3.27Å; Y366-S772 WeakPolarHBondContact OH-CB 3.48Å |
| 367 | C | 80.6 | Confident | 83.1 | Confident | 14 Ų | 14 | 15.2 Ų | 15.2 | 10% | 0.095 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 177.1 | -65.6 | 0 | 0 | 0 | 0 | 112 | L363 F364 I618 | L363-C367 PolarHBondContact O-N 2.95Å; F364-C367 PolarHBondContact O-N 3.43Å; C367-I618 HydrophobicContact CB-CD1 3.63Å |
| 368 | A | 80.3 | Confident | 82.7 | Confident | 2 Ų | 2 | 15.5 Ų | 15.5 | 2% | 0.017 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.2 | -38.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F364 L365 Y366 P372 L729 M794 | F364-A368 HydrophobicContact CE2-CB 4.23Å; F364-A368 PolarHBondContact O-N 3.04Å; F364-A368 VanDerWaalsContact O-N 3.1Å; L365-A368 PolarHBondContact O-N 2.89Å; Y366-A368 VanDerWaalsContact C-N 3.32Å; Y366-A368 PolarHBondContact O-N 3.03Å; A368-P372 WeakPolarHBondContact O-CD 3.44Å; A368-P372 WeakPolarHBondContact O-CG 3.28Å; A368-L729 HydrophobicContact CB-CD2 4.2Å; A368-M794 HydrophobicContact CB-CE 3.99Å; A368-M794 HydrophobicContact CB-SD 3.75Å |
| 369 | C | 83.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 18.8 Ų | 18.8 | 3% | 0.027 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -80.1 | -28.5 | -178.4 | -64.6 | 0 | 0 | 0 | 0 | 112.4 | L365 Y366 P372 V373 I765 M769 | L365-C369 VanDerWaalsContact O-CB 3.25Å; L365-C369 WeakPolarHBondContact O-CB 3.15Å; L365-C369 PolarHBondContact O-N 3.28Å; L365-C369 PolarHBondContact O-SG 3.46Å; Y366-C369 PolarHBondContact O-N 3.15Å; C369-P372 WeakPolarHBondContact O-CD 3.23Å; C369-V373 VanDerWaalsContact O-CG2 3.31Å; C369-V373 WeakPolarHBondContact O-CG2 3.39Å; C369-I765 HydrophobicContact CB-CG2 4.28Å; C369-M769 HydrophobicContact CB-CE 3.92Å; C369-M769 HydrophobicContact CB-SD 3.97Å; C369-M769 WeakPolarHBondContact O-CE 3.19Å |
| 370 | M | 83.4 | Confident | 82 | Confident | 8 Ų | 8 | 16.4 Ų | 16.4 | 4% | 0.039 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.5 | -42.1 | -178.1 | -178.3 | 161.4 | -157.8 | 0 | 0 | 113.6 | Y366 V373 I374 L394 S772 L779 | Y366-M370 HydrophobicContact CE2-SD 4.26Å; Y366-M370 VanDerWaalsContact O-CB 3.26Å; Y366-M370 WeakPolarHBondContact O-CB 3.2Å; Y366-M370 PolarHBondContact O-N 3.12Å; M370-V373 PolarHBondContact O-N 2.97Å; M370-I374 HydrophobicContact CE-CD1 3.42Å; M370-I374 VanDerWaalsContact CE-CD1 3.42Å; M370-I374 HydrophobicContact CG-CD1 3.69Å; M370-I374 HydrophobicContact CG-CG1 4.42Å; M370-I374 PolarHBondContact O-N 2.91Å; M370-I374 HydrophobicContact SD-CD1 4.35Å; M370-L394 HydrophobicContact CE-CD1 4.37Å; M370-S772 WeakPolarHBondContact CE-OG 3.35Å; M370-L779 HydrophobicContact CE-CD2 2.96Å; M370-L779 HydrophobicContact CE-CG 4.43Å; M370-L779 HydrophobicContact SD-CD2 3.16Å; M370-L779 WeakPolarHBondContact SD-CD2 3.4Å; M370-L779 HydrophobicContact SD-CG 4.39Å |
| 371 | S | 78.2 | Confident | 82 | Confident | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.3 | -47.4 | -176 | -180 | 0 | 0 | 0 | 0 | 113.4 | V373 I374 T375 F791 | S371-V373 VanDerWaalsContact C-N 3.34Å; S371-V373 PolarHBondContact O-N 2.82Å; S371-I374 PolarHBondContact O-N 3.4Å; S371-T375 WeakPolarHBondContact O-CB 3.33Å; S371-T375 VanDerWaalsContact O-CG2 3.29Å; S371-T375 WeakPolarHBondContact O-CG2 3.28Å; S371-T375 PolarHBondContact O-N 3.04Å; S371-T375 PolarHBondContact O-OG1 3.35Å; S371-F791 WeakPolarHBondContact OG-CE2 3.42Å; S371-F791 WeakPolarHBondContact OG-CZ 3.1Å |
| 372 | P | 78.1 | Confident | 81.7 | Confident | 10 Ų | 10 | 24.1 Ų | 24.1 | 7% | 0.065 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 176.7 | -21 | 32.6 | 0 | 0 | 0 | 111.7 | A368 C369 I374 T375 F376 F791 | A368-P372 WeakPolarHBondContact O-CD 3.44Å; A368-P372 WeakPolarHBondContact O-CG 3.28Å; C369-P372 WeakPolarHBondContact O-CD 3.23Å; P372-I374 VanDerWaalsContact C-N 3.34Å; P372-I374 PolarHBondContact O-N 3Å; P372-T375 WeakPolarHBondContact CA-OG1 3.45Å; P372-T375 PolarHBondContact O-N 3.22Å; P372-T375 PolarHBondContact O-OG1 3.23Å; P372-F376 HydrophobicContact CB-CD2 4.06Å; P372-F376 HydrophobicContact CB-CE2 4.01Å; P372-F376 VanDerWaalsContact O-CB 3.27Å; P372-F376 WeakPolarHBondContact O-CB 3.5Å; P372-F376 WeakPolarHBondContact O-CD2 3.37Å; P372-F376 WeakPolarHBondContact O-CG 3.27Å; P372-F376 PolarHBondContact O-N 3.4Å; P372-F791 HydrophobicContact CB-CZ 4.39Å; P372-F791 VanDerWaalsContact CD-CZ 3.41Å; P372-F791 HydrophobicContact CG-CE1 3.67Å; P372-F791 HydrophobicContact CG-CZ 3.46Å; P372-F791 VanDerWaalsContact CG-CZ 3.46Å |
| 373 | V | 84.2 | Confident | 81.3 | Confident | 5 Ų | 5 | 23.4 Ų | 23.4 | 3% | 0.03 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | -179.8 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | C369 M370 S371 G377 L394 A397 M769 | C369-V373 VanDerWaalsContact O-CG2 3.31Å; C369-V373 WeakPolarHBondContact O-CG2 3.39Å; M370-V373 PolarHBondContact O-N 2.97Å; S371-V373 VanDerWaalsContact C-N 3.34Å; S371-V373 PolarHBondContact O-N 2.82Å; V373-G377 PolarHBondContact O-N 2.95Å; V373-L394 HydrophobicContact CG1-CD1 4.48Å; V373-A397 HydrophobicContact CG1-CB 3.95Å; V373-A397 HydrophobicContact CG2-CB 4.04Å; V373-M769 HydrophobicContact CB-CE 4.07Å; V373-M769 HydrophobicContact CG1-CE 4.43Å; V373-M769 HydrophobicContact CG2-CE 3.74Å |
| 374 | I | 81.4 | Confident | 81.2 | Confident | 15 Ų | 15 | 21.1 Ų | 21.1 | 8% | 0.077 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -73.3 | -45.6 | 177.4 | -69.5 | 172.2 | 0 | 0 | 0 | 111.6 | M370 S371 P372 G377 G378 L635 V637 | M370-I374 HydrophobicContact CE-CD1 3.42Å; M370-I374 VanDerWaalsContact CE-CD1 3.42Å; M370-I374 HydrophobicContact CG-CD1 3.69Å; M370-I374 HydrophobicContact CG-CG1 4.42Å; M370-I374 PolarHBondContact O-N 2.91Å; M370-I374 HydrophobicContact SD-CD1 4.35Å; S371-I374 PolarHBondContact O-N 3.4Å; P372-I374 VanDerWaalsContact C-N 3.34Å; P372-I374 PolarHBondContact O-N 3Å; I374-G377 PolarHBondContact O-N 3.44Å; I374-G378 PolarHBondContact O-N 3.43Å; I374-L635 HydrophobicContact CB-CD1 4.34Å; I374-L635 HydrophobicContact CD1-CD1 4.06Å; I374-L635 HydrophobicContact CD1-CD2 3.7Å; I374-L635 HydrophobicContact CD1-CG 4.06Å; I374-L635 HydrophobicContact CG2-CD1 3.89Å; I374-V637 HydrophobicContact CD1-CG2 4.08Å |
| 375 | T | 77.4 | Confident | 81.2 | Confident | 19 Ų | 19 | 25.4 Ų | 25.4 | 12% | 0.117 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -45.5 | -179.1 | 53.1 | 0 | 0 | 0 | 0 | 111.5 | S371 P372 G378 L379 | S371-T375 WeakPolarHBondContact O-CB 3.33Å; S371-T375 VanDerWaalsContact O-CG2 3.29Å; S371-T375 WeakPolarHBondContact O-CG2 3.28Å; S371-T375 PolarHBondContact O-N 3.04Å; S371-T375 PolarHBondContact O-OG1 3.35Å; P372-T375 WeakPolarHBondContact CA-OG1 3.45Å; P372-T375 PolarHBondContact O-N 3.22Å; P372-T375 PolarHBondContact O-OG1 3.23Å; T375-G378 PolarHBondContact O-N 2.89Å; T375-L379 WeakPolarHBondContact O-CG 3.48Å; T375-L379 PolarHBondContact O-N 2.92Å |
| 376 | F | 78.7 | Confident | 80.8 | Confident | 15 Ų | 15 | 26.2 Ų | 26.2 | 7% | 0.066 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.2 | -35.9 | 174.1 | -69.4 | -49.8 | 0 | 0 | 0 | 112.5 | P372 G378 L379 L380 L422 | P372-F376 HydrophobicContact CB-CD2 4.06Å; P372-F376 HydrophobicContact CB-CE2 4.01Å; P372-F376 VanDerWaalsContact O-CB 3.27Å; P372-F376 WeakPolarHBondContact O-CB 3.5Å; P372-F376 WeakPolarHBondContact O-CD2 3.37Å; P372-F376 WeakPolarHBondContact O-CG 3.27Å; P372-F376 PolarHBondContact O-N 3.4Å; F376-G378 VanDerWaalsContact C-N 3.33Å; F376-G378 PolarHBondContact O-N 2.99Å; F376-L379 HydrophobicContact CD1-CD1 4.3Å; F376-L379 PolarHBondContact O-N 3.12Å; F376-L380 WeakPolarHBondContact O-CB 3.21Å; F376-L380 PolarHBondContact O-N 3.28Å; F376-L422 HydrophobicContact CD1-CD2 3.82Å; F376-L422 HydrophobicContact CE1-CD2 4.29Å |
| 377 | G | 81.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64 | -35.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V373 I374 G381 S389 A390 S393 | V373-G377 PolarHBondContact O-N 2.95Å; I374-G377 PolarHBondContact O-N 3.44Å; G377-G381 PolarHBondContact O-N 2.97Å; G377-S389 CarbonylContact O-C 3.57Å; G377-S389 WeakPolarHBondContact O-CA 3.45Å; G377-A390 PolarHBondContact O-N 3.03Å; G377-S393 VanDerWaalsContact CA-OG 3.24Å; G377-S393 WeakPolarHBondContact CA-OG 3.49Å |
| 378 | G | 76.4 | Confident | 80.6 | Confident | 30 Ų | 30 | 27.7 Ų | 27.7 | 31% | 0.309 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -68.2 | -49.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I374 T375 F376 L380 G381 E382 | I374-G378 PolarHBondContact O-N 3.43Å; T375-G378 PolarHBondContact O-N 2.89Å; F376-G378 VanDerWaalsContact C-N 3.33Å; F376-G378 PolarHBondContact O-N 2.99Å; G378-L380 VanDerWaalsContact C-N 3.29Å; G378-L380 PolarHBondContact O-N 3.46Å; G378-G381 WeakPolarHBondContact O-CA 3.13Å; G378-G381 PolarHBondContact O-N 2.97Å; G378-E382 PolarHBondContact O-N 3.12Å |
| 379 | L | 77.4 | Confident | 80.7 | Confident | 73 Ų | 73 | 28.8 Ų | 28.8 | 38% | 0.382 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.7 | -38.1 | 176.5 | -70.9 | 173.1 | 0 | 0 | 0 | 112.2 | T375 F376 A383 L422 | T375-L379 WeakPolarHBondContact O-CG 3.48Å; T375-L379 PolarHBondContact O-N 2.92Å; F376-L379 HydrophobicContact CD1-CD1 4.3Å; F376-L379 PolarHBondContact O-N 3.12Å; L379-A383 VanDerWaalsContact O-CB 3.25Å; L379-A383 WeakPolarHBondContact O-CB 3.46Å; L379-A383 PolarHBondContact O-N 3.48Å; L379-L422 HydrophobicContact CB-CD2 4.43Å; L379-L422 HydrophobicContact CD1-CD2 4.48Å |
| 380 | L | 81 | Confident | 80.6 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.1 | -36.7 | 174.3 | -173.1 | 64.1 | 0 | 0 | 0 | 111.5 | F376 G378 A383 T384 I388 L422 E425 P721 | F376-L380 WeakPolarHBondContact O-CB 3.21Å; F376-L380 PolarHBondContact O-N 3.28Å; G378-L380 VanDerWaalsContact C-N 3.29Å; G378-L380 PolarHBondContact O-N 3.46Å; L380-A383 PolarHBondContact O-N 3.29Å; L380-T384 HydrophobicContact CD1-CG2 3.72Å; L380-T384 HydrophobicContact CG-CG2 4.21Å; L380-T384 VanDerWaalsContact O-CB 3.31Å; L380-T384 WeakPolarHBondContact O-CB 3.38Å; L380-T384 VanDerWaalsContact O-CG2 3.3Å; L380-T384 WeakPolarHBondContact O-CG2 3.37Å; L380-T384 PolarHBondContact O-N 3.34Å; L380-T384 PolarHBondContact O-OG1 3.04Å; L380-I388 CarbonylContact C-O 3.45Å; L380-I388 HydrophobicContact CD2-CB 4.06Å; L380-I388 HydrophobicContact CD2-CG2 3.55Å; L380-I388 HydrophobicContact CG-CB 4.31Å; L380-I388 HydrophobicContact CG-CG2 4.27Å; L380-L422 HydrophobicContact CB-CD1 3.85Å; L380-L422 HydrophobicContact CD1-CD1 3.88Å; L380-L422 HydrophobicContact CG-CD1 4.39Å; L380-E425 HydrophobicContact CD1-CB 3.89Å; L380-P721 HydrophobicContact CD2-CB 4.16Å |
| 381 | G | 82.1 | Confident | 80.6 | Confident | 9 Ų | 9 | 30.2 Ų | 30.2 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59 | -48.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G377 G378 T384 E385 G386 I388 | G377-G381 PolarHBondContact O-N 2.97Å; G378-G381 WeakPolarHBondContact O-CA 3.13Å; G378-G381 PolarHBondContact O-N 2.97Å; G381-T384 PolarHBondContact O-N 3.27Å; G381-E385 PolarHBondContact O-N 3.27Å; G381-G386 PolarHBondContact O-N 3.48Å; G381-I388 WeakPolarHBondContact CA-O 3.37Å; G381-I388 PolarHBondContact N-O 3.48Å |
| 382 | E | 79.3 | Confident | 81 | Confident | 158 Ų | 158 | 30.1 Ų | 30.1 | 74% | 0.738 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -64.5 | -43.5 | 176.4 | -69.7 | 176.1 | -175.5 | 0 | 0 | 111.7 | G378 T384 | G378-E382 PolarHBondContact O-N 3.12Å; E382-T384 VanDerWaalsContact C-N 3.34Å; E382-T384 PolarHBondContact O-N 3.15Å |
| 383 | A | 80 | Confident | 81.5 | Confident | 26 Ų | 26 | 29.8 Ų | 29.8 | 22% | 0.215 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.3 | -28.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L379 L380 K426 F429 | L379-A383 VanDerWaalsContact O-CB 3.25Å; L379-A383 WeakPolarHBondContact O-CB 3.46Å; L379-A383 PolarHBondContact O-N 3.48Å; L380-A383 PolarHBondContact O-N 3.29Å; A383-K426 HydrophobicContact CB-CD 4.44Å; A383-K426 HydrophobicContact CB-CG 4.3Å; A383-F429 WeakPolarHBondContact O-CD1 3.34Å; A383-F429 VanDerWaalsContact O-CE1 3.29Å; A383-F429 WeakPolarHBondContact O-CE1 3.14Å |
| 384 | T | 83.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 13 | -175.8 | 65.6 | 0 | 0 | 0 | 0 | 113.8 | L380 G381 E382 G386 R387 I388 F429 Y439 | L380-T384 HydrophobicContact CD1-CG2 3.72Å; L380-T384 HydrophobicContact CG-CG2 4.21Å; L380-T384 VanDerWaalsContact O-CB 3.31Å; L380-T384 WeakPolarHBondContact O-CB 3.38Å; L380-T384 VanDerWaalsContact O-CG2 3.3Å; L380-T384 WeakPolarHBondContact O-CG2 3.37Å; L380-T384 PolarHBondContact O-N 3.34Å; L380-T384 PolarHBondContact O-OG1 3.04Å; G381-T384 PolarHBondContact O-N 3.27Å; E382-T384 VanDerWaalsContact C-N 3.34Å; E382-T384 PolarHBondContact O-N 3.15Å; T384-G386 PolarHBondContact O-N 3.43Å; T384-R387 WeakPolarHBondContact O-CB 3.37Å; T384-R387 VanDerWaalsContact O-CG 3.29Å; T384-R387 WeakPolarHBondContact O-CG 3.13Å; T384-R387 PolarHBondContact O-N 2.94Å; T384-R387 VanDerWaalsContact O-N 3.16Å; T384-I388 PolarHBondContact OG1-N 2.9Å; T384-I388 PolarHBondContact OG1-O 3.34Å; T384-F429 HydrophobicContact CG2-CB 4.39Å; T384-F429 HydrophobicContact CG2-CD2 4.24Å; T384-F429 HydrophobicContact CG2-CG 4.28Å; T384-F429 WeakPolarHBondContact O-CE2 3.33Å; T384-Y439 HydrophobicContact CG2-CE1 4.25Å |
| 385 | E | 83.3 | Confident | 82 | Confident | 109 Ų | 109 | 31.8 Ų | 31.8 | 51% | 0.509 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 42.1 | -177.7 | -60.8 | 172.9 | 177.5 | 0 | 0 | 112.2 | G381 R387 F429 K433 | G381-E385 PolarHBondContact O-N 3.27Å; E385-R387 VanDerWaalsContact C-N 3.34Å; E385-R387 PolarHBondContact O-N 3.44Å; E385-F429 HydrophobicContact CB-CZ 4.19Å; E385-F429 HydrophobicContact CG-CE1 4.22Å; E385-F429 HydrophobicContact CG-CZ 3.99Å; E385-K433 IonicContact OE1-NZ 2.64Å; E385-K433 PolarHBondContact OE1-NZ 2.88Å |
| 386 | G | 78.2 | Confident | 82.6 | Confident | 18 Ų | 18 | 30.9 Ų | 30.9 | 19% | 0.186 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 14.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G381 T384 T644 | G381-G386 PolarHBondContact O-N 3.48Å; T384-G386 PolarHBondContact O-N 3.43Å; G386-T644 WeakPolarHBondContact O-CB 3.39Å; G386-T644 VanDerWaalsContact O-CG2 3.22Å; G386-T644 WeakPolarHBondContact O-CG2 3.36Å |
| 387 | R | 80.4 | Confident | 83.2 | Confident | 72 Ų | 72 | 30.1 Ų | 30.1 | 27% | 0.272 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -72.4 | -30.7 | 175.1 | -68.2 | -171.8 | -164.4 | -160.3 | 5.5 | 113.3 | T384 E385 Y439 | T384-R387 WeakPolarHBondContact O-CB 3.37Å; T384-R387 VanDerWaalsContact O-CG 3.29Å; T384-R387 WeakPolarHBondContact O-CG 3.13Å; T384-R387 PolarHBondContact O-N 2.94Å; T384-R387 VanDerWaalsContact O-N 3.16Å; E385-R387 VanDerWaalsContact C-N 3.34Å; E385-R387 PolarHBondContact O-N 3.44Å; R387-Y439 HydrophobicContact CB-CD1 4.37Å |
| 388 | I | 83.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -139.8 | 125.8 | 171.8 | -60.2 | 176.6 | 0 | 0 | 0 | 107 | L380 G381 T384 E392 Y439 L440 | L380-I388 CarbonylContact C-O 3.45Å; L380-I388 HydrophobicContact CD2-CB 4.06Å; L380-I388 HydrophobicContact CD2-CG2 3.55Å; L380-I388 HydrophobicContact CG-CB 4.31Å; L380-I388 HydrophobicContact CG-CG2 4.27Å; G381-I388 WeakPolarHBondContact CA-O 3.37Å; G381-I388 PolarHBondContact N-O 3.48Å; T384-I388 PolarHBondContact OG1-N 2.9Å; T384-I388 PolarHBondContact OG1-O 3.34Å; I388-E392 HydrophobicContact CG2-CB 4.1Å; I388-Y439 HydrophobicContact CD1-CE1 3.97Å; I388-Y439 HydrophobicContact CG1-CE1 4.44Å; I388-L440 HydrophobicContact CD1-CD2 4.5Å; I388-L440 HydrophobicContact CG1-CD2 4.38Å |
| 389 | S | 83.1 | Confident | 84.5 | Confident | 24 Ų | 24 | 31.8 Ų | 31.8 | 17% | 0.168 | 17% | 0.168 | C | C | . | . | trans | -130.4 | -165.4 | -179.8 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | G377 I391 E392 S393 T644 | G377-S389 CarbonylContact O-C 3.57Å; G377-S389 WeakPolarHBondContact O-CA 3.45Å; S389-I391 VanDerWaalsContact C-N 3.28Å; S389-I391 PolarHBondContact O-N 2.92Å; S389-E392 PolarHBondContact N-OE2 2.88Å; S389-E392 PolarHBondContact O-N 2.89Å; S389-S393 PolarHBondContact O-N 3.12Å; S389-S393 PolarHBondContact O-OG 3.37Å; S389-T644 WeakPolarHBondContact CB-OG1 3.19Å; S389-T644 WeakPolarHBondContact OG-CG2 3.33Å | ||
| 390 | A | 81.6 | Confident | 85.1 | Confident | 18 Ų | 18 | 28.5 Ų | 28.5 | 15% | 0.149 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.2 | -28.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G377 L394 | G377-A390 PolarHBondContact O-N 3.03Å; A390-L394 WeakPolarHBondContact O-CB 3.5Å; A390-L394 PolarHBondContact O-N 3.33Å |
| 391 | I | 83.5 | Confident | 85.7 | Confident | 25 Ų | 25 | 28.1 Ų | 28.1 | 13% | 0.128 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.7 | -48.7 | 178.9 | -61.8 | 171.8 | 0 | 0 | 0 | 110.6 | S389 S393 L394 F395 P638 V640 F641 K642 | S389-I391 VanDerWaalsContact C-N 3.28Å; S389-I391 PolarHBondContact O-N 2.92Å; I391-S393 PolarHBondContact O-N 3.4Å; I391-L394 PolarHBondContact O-N 3.42Å; I391-F395 WeakPolarHBondContact O-CB 3.23Å; I391-F395 PolarHBondContact O-N 3.4Å; I391-P638 HydrophobicContact CD1-CB 3.84Å; I391-P638 HydrophobicContact CD1-CG 3.49Å; I391-P638 VanDerWaalsContact CD1-CG 3.49Å; I391-P638 HydrophobicContact CG1-CB 4.14Å; I391-P638 HydrophobicContact CG1-CG 3.21Å; I391-V640 WeakPolarHBondContact CD1-O 3.31Å; I391-F641 HydrophobicContact CG2-CD2 4.22Å; I391-F641 HydrophobicContact CG2-CE2 4.45Å; I391-K642 WeakPolarHBondContact CD1-O 3.36Å |
| 392 | E | 86.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -36.2 | 178.1 | -66.4 | 93.5 | 161.6 | 0 | 0 | 111.1 | I388 S389 G396 T644 R648 L720 | I388-E392 HydrophobicContact CG2-CB 4.1Å; S389-E392 PolarHBondContact N-OE2 2.88Å; S389-E392 PolarHBondContact O-N 2.89Å; E392-G396 PolarHBondContact O-N 3.07Å; E392-T644 VanDerWaalsContact CD-OG1 3.26Å; E392-T644 PolarHBondContact OE1-N 3.44Å; E392-T644 PolarHBondContact OE1-OG1 3.34Å; E392-T644 PolarHBondContact OE2-OG1 2.91Å; E392-R648 IonicContact OE1-NH2 3.53Å; E392-R648 PolarHBondContact OE1-NH2 3.3Å; E392-L720 HydrophobicContact CB-CD2 4.03Å; E392-L720 HydrophobicContact CG-CD2 4.43Å |
| 393 | S | 87.8 | Confident | 86.9 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -45.8 | 172.7 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | G377 S389 I391 A397 F723 | G377-S393 VanDerWaalsContact CA-OG 3.24Å; G377-S393 WeakPolarHBondContact CA-OG 3.49Å; S389-S393 PolarHBondContact O-N 3.12Å; S389-S393 PolarHBondContact O-OG 3.37Å; I391-S393 PolarHBondContact O-N 3.4Å; S393-A397 WeakPolarHBondContact O-CB 3.39Å; S393-A397 PolarHBondContact O-N 2.85Å; S393-F723 WeakPolarHBondContact O-CZ 3.27Å |
| 394 | L | 87.9 | Confident | 87.6 | Confident | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 179.8 | -173.8 | 71.6 | 0 | 0 | 0 | 111.7 | M370 V373 A390 I391 A397 S398 M769 S772 V773 | M370-L394 HydrophobicContact CE-CD1 4.37Å; V373-L394 HydrophobicContact CG1-CD1 4.48Å; A390-L394 WeakPolarHBondContact O-CB 3.5Å; A390-L394 PolarHBondContact O-N 3.33Å; I391-L394 PolarHBondContact O-N 3.42Å; L394-A397 PolarHBondContact O-N 3.29Å; L394-S398 PolarHBondContact O-N 3.12Å; L394-M769 HydrophobicContact CD1-CB 4.4Å; L394-S772 WeakPolarHBondContact CD2-OG 3.31Å; L394-V773 HydrophobicContact CD2-CG2 3.55Å |
| 395 | F | 88.3 | Confident | 87.9 | Confident | 55 Ų | 55 | 22.6 Ų | 22.6 | 24% | 0.241 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.8 | -43.2 | 178.4 | -178.9 | -116.8 | 0 | 0 | 0 | 112 | I391 A397 S398 L399 F641 W650 M718 L720 | I391-F395 WeakPolarHBondContact O-CB 3.23Å; I391-F395 PolarHBondContact O-N 3.4Å; F395-A397 PolarHBondContact O-N 3.26Å; F395-S398 PolarHBondContact O-N 3.26Å; F395-L399 WeakPolarHBondContact O-CB 3.39Å; F395-L399 PolarHBondContact O-N 2.92Å; F395-F641 HydrophobicContact CB-CE2 4.09Å; F395-F641 HydrophobicContact CB-CZ 4.35Å; F395-F641 HydrophobicContact CD1-CZ 4.44Å; F395-F641 AromaticContact CD2-CE2 3.89Å; F395-F641 HydrophobicContact CD2-CE2 3.89Å; F395-F641 AromaticContact CD2-CZ 3.6Å; F395-F641 HydrophobicContact CD2-CZ 3.6Å; F395-F641 AromaticContact CE2-CZ 3.95Å; F395-F641 HydrophobicContact CE2-CZ 3.95Å; F395-F641 HydrophobicContact CG-CE2 4.08Å; F395-F641 AromaticContact CG-CZ 3.88Å; F395-F641 HydrophobicContact CG-CZ 3.88Å; F395-F641 HydrophobicContact CZ-CZ 4.49Å; F395-W650 HydrophobicContact CD1-CE3 4.18Å; F395-W650 AromaticContact CD1-CH2 3.85Å; F395-W650 HydrophobicContact CD1-CH2 3.85Å; F395-W650 AromaticContact CD1-CZ3 3.46Å; F395-W650 HydrophobicContact CD1-CZ3 3.46Å; F395-W650 VanDerWaalsContact CD1-CZ3 3.46Å; F395-W650 HydrophobicContact CE1-CE3 4.15Å; F395-W650 HydrophobicContact CE1-CH2 4.34Å; F395-W650 AromaticContact CE1-CZ3 3.87Å; F395-W650 HydrophobicContact CE1-CZ3 3.87Å; F395-W650 HydrophobicContact CG-CH2 4.28Å; F395-W650 HydrophobicContact CG-CZ3 4.29Å; F395-M718 HydrophobicContact CE1-CE 3.62Å; F395-M718 HydrophobicContact CZ-CE 4.18Å; F395-L720 HydrophobicContact CD1-CD1 3.9Å; F395-L720 HydrophobicContact CD1-CD2 3.87Å; F395-L720 HydrophobicContact CE1-CD1 4.11Å |
| 396 | G | 90 | Very high | 88.3 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E392 L399 T400 | E392-G396 PolarHBondContact O-N 3.07Å; G396-L399 PolarHBondContact O-N 3.12Å; G396-T400 WeakPolarHBondContact O-CB 3.38Å; G396-T400 VanDerWaalsContact O-CG2 3.28Å; G396-T400 WeakPolarHBondContact O-CG2 3.36Å; G396-T400 PolarHBondContact O-N 3.42Å; G396-T400 PolarHBondContact O-OG1 3.2Å |
| 397 | A | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V373 S393 L394 F395 T400 G401 F723 F766 M769 | V373-A397 HydrophobicContact CG1-CB 3.95Å; V373-A397 HydrophobicContact CG2-CB 4.04Å; S393-A397 WeakPolarHBondContact O-CB 3.39Å; S393-A397 PolarHBondContact O-N 2.85Å; L394-A397 PolarHBondContact O-N 3.29Å; F395-A397 PolarHBondContact O-N 3.26Å; A397-T400 PolarHBondContact O-OG1 2.85Å; A397-G401 PolarHBondContact O-N 3.21Å; A397-F723 HydrophobicContact CB-CD1 4.25Å; A397-F723 HydrophobicContact CB-CE1 3.63Å; A397-F723 HydrophobicContact CB-CE2 4.5Å; A397-F723 HydrophobicContact CB-CZ 3.78Å; A397-F723 VanDerWaalsContact N-CE2 3.29Å; A397-F723 VanDerWaalsContact N-CZ 3.3Å; A397-F766 VanDerWaalsContact O-CD1 3.24Å; A397-F766 WeakPolarHBondContact O-CD1 3.4Å; A397-M769 HydrophobicContact CB-CE 4.4Å |
| 398 | S | 92.3 | Very high | 89.2 | Confident | 10 Ų | 10 | 18.9 Ų | 18.9 | 7% | 0.07 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.1 | -49.3 | 178 | -176.4 | 0 | 0 | 0 | 0 | 112 | L394 F395 I402 F766 G770 | L394-S398 PolarHBondContact O-N 3.12Å; F395-S398 PolarHBondContact O-N 3.26Å; S398-I402 WeakPolarHBondContact O-CB 3.49Å; S398-I402 WeakPolarHBondContact O-CD1 3.13Å; S398-I402 VanDerWaalsContact O-CG1 3.22Å; S398-I402 WeakPolarHBondContact O-CG1 3.29Å; S398-I402 PolarHBondContact O-N 3.17Å; S398-F766 WeakPolarHBondContact CB-O 3.25Å; S398-F766 PolarHBondContact OG-O 3.13Å; S398-G770 VanDerWaalsContact OG-CA 3.31Å; S398-G770 WeakPolarHBondContact OG-CA 3.44Å; S398-G770 PolarHBondContact OG-N 3.43Å |
| 399 | L | 92.4 | Very high | 89.3 | Confident | 55 Ų | 55 | 18.9 Ų | 18.9 | 29% | 0.288 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -63.6 | -49.4 | -178.3 | -179.2 | 64.6 | 0 | 0 | 0 | 112.2 | F395 G396 A403 M711 V714 M718 L720 | F395-L399 WeakPolarHBondContact O-CB 3.39Å; F395-L399 PolarHBondContact O-N 2.92Å; G396-L399 PolarHBondContact O-N 3.12Å; L399-A403 WeakPolarHBondContact O-CB 3.17Å; L399-A403 PolarHBondContact O-N 2.97Å; L399-M711 HydrophobicContact CD2-CE 4.41Å; L399-M711 HydrophobicContact CG-CE 3.98Å; L399-V714 HydrophobicContact CD2-CG1 4.29Å; L399-M718 HydrophobicContact CD2-CE 4.32Å; L399-M718 HydrophobicContact CD2-SD 3.71Å; L399-L720 HydrophobicContact CD2-CD1 4.27Å |
| 400 | T | 92.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 179.6 | 54.9 | 0 | 0 | 0 | 0 | 112 | G396 A397 A403 Y404 M711 C715 F723 | G396-T400 WeakPolarHBondContact O-CB 3.38Å; G396-T400 VanDerWaalsContact O-CG2 3.28Å; G396-T400 WeakPolarHBondContact O-CG2 3.36Å; G396-T400 PolarHBondContact O-N 3.42Å; G396-T400 PolarHBondContact O-OG1 3.2Å; A397-T400 PolarHBondContact O-OG1 2.85Å; T400-A403 PolarHBondContact O-N 3.26Å; T400-Y404 VanDerWaalsContact O-CB 3.22Å; T400-Y404 WeakPolarHBondContact O-CB 3.4Å; T400-Y404 PolarHBondContact O-N 2.92Å; T400-M711 HydrophobicContact CG2-CB 4.16Å; T400-M711 HydrophobicContact CG2-CE 4Å; T400-C715 WeakPolarHBondContact CG2-SG 3.31Å; T400-F723 HydrophobicContact CG2-CB 4.42Å; T400-F723 HydrophobicContact CG2-CD2 4Å |
| 401 | G | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.8 | -42.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A397 A403 Y404 S405 F766 | A397-G401 PolarHBondContact O-N 3.21Å; G401-A403 PolarHBondContact O-N 3.28Å; G401-Y404 PolarHBondContact O-N 2.87Å; G401-S405 WeakPolarHBondContact O-CB 3.3Å; G401-S405 PolarHBondContact O-N 3.36Å; G401-S405 PolarHBondContact O-OG 3.26Å; G401-S405 VanDerWaalsContact O-OG 3.09Å; G401-F766 VanDerWaalsContact CA-CE2 3.42Å; G401-F766 VanDerWaalsContact CA-CG 3.41Å |
| 402 | I | 94.1 | Very high | 90.2 | Very high | 54 Ų | 54 | 16 Ų | 16 | 28% | 0.277 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -60.7 | -48.3 | 175.2 | -69.3 | 166.4 | 0 | 0 | 0 | 110.3 | S398 Y404 S405 L406 F766 | S398-I402 WeakPolarHBondContact O-CB 3.49Å; S398-I402 WeakPolarHBondContact O-CD1 3.13Å; S398-I402 VanDerWaalsContact O-CG1 3.22Å; S398-I402 WeakPolarHBondContact O-CG1 3.29Å; S398-I402 PolarHBondContact O-N 3.17Å; I402-Y404 VanDerWaalsContact C-N 3.34Å; I402-Y404 PolarHBondContact O-N 2.78Å; I402-S405 PolarHBondContact O-N 3.16Å; I402-L406 HydrophobicContact CG2-CD1 4.11Å; I402-L406 WeakPolarHBondContact O-CG 3.32Å; I402-L406 PolarHBondContact O-N 3.44Å; I402-L406 VanDerWaalsContact O-N 3.17Å; I402-F766 HydrophobicContact CG1-CB 3.86Å |
| 403 | A | 93.7 | Very high | 90.4 | Very high | 21 Ų | 21 | 16 Ų | 16 | 17% | 0.174 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L399 T400 G401 L406 C407 M707 M711 | L399-A403 WeakPolarHBondContact O-CB 3.17Å; L399-A403 PolarHBondContact O-N 2.97Å; T400-A403 PolarHBondContact O-N 3.26Å; G401-A403 PolarHBondContact O-N 3.28Å; A403-L406 PolarHBondContact O-N 2.86Å; A403-C407 PolarHBondContact O-N 2.81Å; A403-C407 VanDerWaalsContact O-N 3.13Å; A403-M707 VanDerWaalsContact C-CE 3.41Å; A403-M707 HydrophobicContact CB-CE 3.38Å; A403-M707 VanDerWaalsContact O-CE 3.31Å; A403-M707 WeakPolarHBondContact O-CE 3.33Å; A403-M711 HydrophobicContact CB-CE 4.11Å; A403-M711 HydrophobicContact CB-CG 4.06Å; A403-M711 HydrophobicContact CB-SD 3.49Å; A403-M711 WeakPolarHBondContact CB-SD 3.03Å |
| 404 | Y | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.5 | -47.9 | 177.1 | -172.7 | -89.9 | 0 | 0 | 0 | 112.2 | T400 G401 I402 L406 C407 A408 T413 L415 Q681 D704 M707 V708 | T400-Y404 VanDerWaalsContact O-CB 3.22Å; T400-Y404 WeakPolarHBondContact O-CB 3.4Å; T400-Y404 PolarHBondContact O-N 2.92Å; G401-Y404 PolarHBondContact O-N 2.87Å; I402-Y404 VanDerWaalsContact C-N 3.34Å; I402-Y404 PolarHBondContact O-N 2.78Å; Y404-L406 PolarHBondContact O-N 3.4Å; Y404-C407 PolarHBondContact O-N 3.48Å; Y404-A408 HydrophobicContact CD1-CB 3.77Å; Y404-A408 HydrophobicContact CD2-CB 4.14Å; Y404-A408 HydrophobicContact CE1-CB 3.5Å; Y404-A408 HydrophobicContact CE2-CB 3.94Å; Y404-A408 HydrophobicContact CG-CB 4.07Å; Y404-A408 WeakPolarHBondContact O-CA 3.49Å; Y404-A408 WeakPolarHBondContact O-CB 3.47Å; Y404-A408 PolarHBondContact O-N 2.87Å; Y404-T413 HydrophobicContact CE1-CG2 4.36Å; Y404-T413 WeakPolarHBondContact CE1-O 2.96Å; Y404-L415 VanDerWaalsContact CB-CD1 3.45Å; Y404-L415 HydrophobicContact CD1-CD1 4.33Å; Y404-L415 HydrophobicContact CD1-CD2 4.48Å; Y404-L415 HydrophobicContact CD1-CG 4.06Å; Y404-L415 HydrophobicContact CD2-CD1 3.77Å; Y404-L415 HydrophobicContact CD2-CD2 4.09Å; Y404-L415 HydrophobicContact CD2-CG 4.1Å; Y404-L415 HydrophobicContact CE2-CD2 4.16Å; Y404-L415 HydrophobicContact CG-CD1 3.58Å; Y404-L415 HydrophobicContact CG-CD2 4.25Å; Y404-L415 HydrophobicContact CG-CG 3.8Å; Y404-Q681 PolarHBondContact OH-NE2 3.29Å; Y404-Q681 VanDerWaalsContact OH-NE2 3.12Å; Y404-D704 HydrophobicContact CE2-CB 4.43Å; Y404-D704 VanDerWaalsContact OH-CG 3.24Å; Y404-D704 PolarHBondContact OH-OD1 3.29Å; Y404-D704 PolarHBondContact OH-OD2 2.93Å; Y404-M707 HydrophobicContact CD2-CB 4.3Å; Y404-M707 HydrophobicContact CD2-CG 4.13Å; Y404-V708 HydrophobicContact CD2-CG2 4.01Å; Y404-V708 HydrophobicContact CE2-CG2 3.77Å |
| 405 | S | 91.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.007 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.7 | -33 | 179.2 | -63.7 | 0 | 0 | 0 | 0 | 113.2 | G401 I402 R759 G762 L763 | G401-S405 WeakPolarHBondContact O-CB 3.3Å; G401-S405 PolarHBondContact O-N 3.36Å; G401-S405 PolarHBondContact O-OG 3.26Å; G401-S405 VanDerWaalsContact O-OG 3.09Å; I402-S405 PolarHBondContact O-N 3.16Å; S405-R759 PolarHBondContact O-NH1 2.87Å; S405-G762 VanDerWaalsContact OG-C 3.26Å; S405-L763 PolarHBondContact OG-N 3.4Å |
| 406 | L | 90.9 | Very high | 90.7 | Very high | 53 Ų | 53 | 13.4 Ų | 13.4 | 28% | 0.277 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -74.7 | -40.1 | 177.2 | -72.7 | 173.9 | 0 | 0 | 0 | 113.5 | Y346 Y350 I402 A403 Y404 R759 L763 | Y346-L406 VanDerWaalsContact CE2-O 3.29Å; Y346-L406 WeakPolarHBondContact CE2-O 3.31Å; Y346-L406 PolarHBondContact OH-O 2.87Å; Y346-L406 VanDerWaalsContact OH-O 3.12Å; Y350-L406 WeakPolarHBondContact OH-CD2 3.41Å; I402-L406 HydrophobicContact CG2-CD1 4.11Å; I402-L406 WeakPolarHBondContact O-CG 3.32Å; I402-L406 PolarHBondContact O-N 3.44Å; I402-L406 VanDerWaalsContact O-N 3.17Å; A403-L406 PolarHBondContact O-N 2.86Å; Y404-L406 PolarHBondContact O-N 3.4Å; L406-R759 PolarHBondContact O-NH1 3.26Å; L406-L763 HydrophobicContact CD1-CD1 4.4Å; L406-L763 HydrophobicContact CD2-CD1 3.46Å; L406-L763 VanDerWaalsContact CD2-CD1 3.46Å; L406-L763 HydrophobicContact CG-CD1 3.83Å |
| 407 | C | 90.1 | Very high | 90.4 | Very high | 69 Ų | 69 | 14.3 Ų | 14.3 | 47% | 0.466 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -112.1 | -8.2 | -167.7 | -63.9 | 0 | 0 | 0 | 0 | 115.1 | A403 Y404 M707 | A403-C407 PolarHBondContact O-N 2.81Å; A403-C407 VanDerWaalsContact O-N 3.13Å; Y404-C407 PolarHBondContact O-N 3.48Å; C407-M707 HydrophobicContact CB-CE 4.1Å; C407-M707 HydrophobicContact CB-CG 4.19Å; C407-M707 HydrophobicContact CB-SD 3.72Å |
| 408 | A | 88.2 | Confident | 90 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -66.3 | 150.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y404 D704 R759 | Y404-A408 HydrophobicContact CD1-CB 3.77Å; Y404-A408 HydrophobicContact CD2-CB 4.14Å; Y404-A408 HydrophobicContact CE1-CB 3.5Å; Y404-A408 HydrophobicContact CE2-CB 3.94Å; Y404-A408 HydrophobicContact CG-CB 4.07Å; Y404-A408 WeakPolarHBondContact O-CA 3.49Å; Y404-A408 WeakPolarHBondContact O-CB 3.47Å; Y404-A408 PolarHBondContact O-N 2.87Å; A408-D704 WeakPolarHBondContact CB-OD1 3.29Å; A408-R759 PolarHBondContact O-NH1 2.95Å; A408-R759 PolarHBondContact O-NH2 3.48Å | ||
| 409 | G | 85.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -70 | -41.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K342 D704 | K342-G409 WeakPolarHBondContact CE-O 3.44Å; K342-G409 PolarHBondContact NZ-O 3.22Å; G409-D704 VanDerWaalsContact CA-OD1 3.3Å; G409-D704 WeakPolarHBondContact CA-OD1 3.19Å; G409-D704 PolarHBondContact N-OD1 3.48Å |
| 410 | Q | 89.3 | Confident | 88.8 | Confident | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.009 | 10% | 0.098 | C | C | . | . | trans | -115.9 | 95.3 | 172 | -172.8 | 59.3 | -51.8 | 0 | 0 | 112.5 | L412 T413 I688 N689 D704 | Q410-L412 HydrophobicContact CG-CB 4.42Å; Q410-L412 PolarHBondContact O-N 2.73Å; Q410-T413 PolarHBondContact O-N 3.32Å; Q410-T413 PolarHBondContact O-OG1 3.15Å; Q410-I688 HydrophobicContact CG-CG2 3.89Å; Q410-N689 PolarHBondContact NE2-OD1 3.03Å; Q410-D704 WeakPolarHBondContact CB-OD2 3.49Å; Q410-D704 PolarHBondContact N-OD1 3.36Å; Q410-D704 PolarHBondContact N-OD2 3.44Å | ||
| 411 | P | 87.2 | Confident | 88.4 | Confident | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.019 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -8.4 | -176.7 | 30.8 | -37.3 | 0 | 0 | 0 | 114.7 | T413 R759 | P411-T413 PolarHBondContact O-N 2.7Å; P411-R759 HydrophobicContact CB-CB 4.36Å; P411-R759 HydrophobicContact CB-CG 3.62Å; P411-R759 HydrophobicContact CG-CG 3.7Å |
| 412 | L | 89.5 | Confident | 87.9 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -18.3 | 174.1 | -64.3 | 176.9 | 0 | 0 | 0 | 112.5 | Q410 I688 L695 H733 V734 L737 I755 E757 | Q410-L412 HydrophobicContact CG-CB 4.42Å; Q410-L412 PolarHBondContact O-N 2.73Å; L412-I688 HydrophobicContact CB-CG2 4.14Å; L412-I688 HydrophobicContact CD1-CG2 4.45Å; L412-L695 HydrophobicContact CD1-CD2 4.11Å; L412-H733 PolarHBondContact O-ND1 2.91Å; L412-V734 HydrophobicContact CB-CG2 4.17Å; L412-V734 HydrophobicContact CD1-CG2 4.25Å; L412-L737 HydrophobicContact CD2-CD1 3.62Å; L412-I755 HydrophobicContact CD1-CG2 4.09Å; L412-E757 HydrophobicContact CD1-CG 4.43Å |
| 413 | T | 91.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -74 | 128.7 | 177 | -50.8 | 0 | 0 | 0 | 0 | 110.9 | Y404 Q410 P411 T684 I688 A725 | Y404-T413 HydrophobicContact CE1-CG2 4.36Å; Y404-T413 WeakPolarHBondContact CE1-O 2.96Å; Q410-T413 PolarHBondContact O-N 3.32Å; Q410-T413 PolarHBondContact O-OG1 3.15Å; P411-T413 PolarHBondContact O-N 2.7Å; T413-T684 HydrophobicContact CG2-CG2 4.08Å; T413-I688 HydrophobicContact CG2-CD1 4.16Å; T413-I688 WeakPolarHBondContact OG1-CD1 3.05Å; T413-A725 HydrophobicContact CG2-CB 3.38Å |
| 414 | I | 91.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | P | Polyproline II helix | trans | -101.5 | 126.2 | 176.7 | -61.9 | -177 | 0 | 0 | 0 | 109 | L365 A726 L729 S730 H733 I765 F766 | L365-I414 HydrophobicContact CD1-CD1 4.18Å; L365-I414 HydrophobicContact CD2-CD1 3.89Å; L365-I414 HydrophobicContact CG-CD1 4.46Å; I414-A726 PolarHBondContact O-N 3.26Å; I414-L729 HydrophobicContact CB-CB 4.35Å; I414-L729 HydrophobicContact CG2-CB 4.37Å; I414-S730 PolarHBondContact N-OG 2.94Å; I414-H733 HydrophobicContact CD1-CB 3.76Å; I414-H733 HydrophobicContact CG1-CB 4.36Å; I414-I765 HydrophobicContact CD1-CD1 4.26Å; I414-F766 HydrophobicContact CG2-CE2 4.34Å; I414-F766 HydrophobicContact CG2-CZ 3.7Å |
| 415 | L | 90.9 | Very high | 86.6 | Confident | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 137.6 | 172.5 | -61.1 | -175.4 | 0 | 0 | 0 | 111.1 | Y404 V708 F723 V724 A725 F766 | Y404-L415 VanDerWaalsContact CB-CD1 3.45Å; Y404-L415 HydrophobicContact CD1-CD1 4.33Å; Y404-L415 HydrophobicContact CD1-CD2 4.48Å; Y404-L415 HydrophobicContact CD1-CG 4.06Å; Y404-L415 HydrophobicContact CD2-CD1 3.77Å; Y404-L415 HydrophobicContact CD2-CD2 4.09Å; Y404-L415 HydrophobicContact CD2-CG 4.1Å; Y404-L415 HydrophobicContact CE2-CD2 4.16Å; Y404-L415 HydrophobicContact CG-CD1 3.58Å; Y404-L415 HydrophobicContact CG-CD2 4.25Å; Y404-L415 HydrophobicContact CG-CG 3.8Å; L415-V708 HydrophobicContact CD2-CG2 4.09Å; L415-F723 HydrophobicContact CB-CB 4.33Å; L415-V724 CarbonylContact C-O 3.28Å; L415-V724 WeakPolarHBondContact CA-O 3.21Å; L415-A725 HydrophobicContact CD2-CB 4.48Å; L415-F766 HydrophobicContact CB-CZ 4.41Å; L415-F766 WeakPolarHBondContact O-CZ 3.44Å |
| 416 | G | 88.2 | Confident | 86.3 | Confident | 4 Ų | 4 | 22.7 Ų | 22.7 | 4% | 0.041 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 166.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V724 | G416-V724 PolarHBondContact N-O 3.31Å; G416-V724 PolarHBondContact O-N 3.29Å |
| 417 | S | 83.2 | Confident | 86.1 | Confident | 19 Ų | 19 | 23.4 Ų | 23.4 | 13% | 0.133 | 14% | 0.135 | C | C | . | . | trans | -75.8 | 127.9 | 169.7 | -178 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 418 | T | 83.3 | Confident | 85.9 | Confident | 18 Ų | 18 | 20.7 Ų | 20.7 | 11% | 0.11 | 12% | 0.116 | C | C | . | . | trans | -104.7 | 152.1 | 178.8 | 68.6 | 0 | 0 | 0 | 0 | 111 | V421 L422 V724 | T418-V421 PolarHBondContact O-N 3.13Å; T418-V421 WeakPolarHBondContact OG1-CG2 3.35Å; T418-L422 PolarHBondContact O-N 3.18Å; T418-L422 VanDerWaalsContact O-N 3.16Å; T418-V724 HydrophobicContact CG2-CB 4.46Å | ||
| 419 | G | 79.4 | Confident | 86 | Confident | 29 Ų | 29 | 21.3 Ų | 21.3 | 30% | 0.299 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -55.7 | -44.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V421 L422 V423 | G419-V421 VanDerWaalsContact C-N 3.34Å; G419-V421 PolarHBondContact O-N 3.09Å; G419-L422 WeakPolarHBondContact O-CB 3.2Å; G419-L422 PolarHBondContact O-N 3.31Å; G419-L422 VanDerWaalsContact O-N 3.16Å; G419-V423 WeakPolarHBondContact O-CG2 3.41Å; G419-V423 PolarHBondContact O-N 3.41Å |
| 420 | P | 79.3 | Confident | 86 | Confident | 29 Ų | 29 | 26.9 Ų | 26.9 | 19% | 0.188 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.6 | -40.4 | 178.1 | -26.8 | 36.3 | 0 | 0 | 0 | 113.7 | V423 F424 L676 F858 | P420-V423 PolarHBondContact O-N 3.05Å; P420-F424 PolarHBondContact O-N 3.24Å; P420-L676 HydrophobicContact CB-CD1 3.75Å; P420-L676 HydrophobicContact CB-CD2 4.25Å; P420-L676 HydrophobicContact CB-CG 4.27Å; P420-F858 HydrophobicContact CG-CD1 4.37Å; P420-F858 HydrophobicContact CG-CE1 4.48Å |
| 421 | V | 83.3 | Confident | 85.9 | Confident | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.036 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | 174.6 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | T418 G419 V423 F424 E425 L676 W722 V724 | T418-V421 PolarHBondContact O-N 3.13Å; T418-V421 WeakPolarHBondContact OG1-CG2 3.35Å; G419-V421 VanDerWaalsContact C-N 3.34Å; G419-V421 PolarHBondContact O-N 3.09Å; V421-V423 VanDerWaalsContact C-N 3.34Å; V421-V423 PolarHBondContact O-N 2.88Å; V421-F424 WeakPolarHBondContact O-CB 3.29Å; V421-F424 PolarHBondContact O-N 2.82Å; V421-E425 HydrophobicContact CG1-CG 4.49Å; V421-E425 VanDerWaalsContact O-CG 3.28Å; V421-E425 WeakPolarHBondContact O-CG 3.25Å; V421-E425 PolarHBondContact O-N 2.98Å; V421-L676 HydrophobicContact CG2-CD2 3.73Å; V421-W722 HydrophobicContact CG1-CB 4.17Å; V421-W722 HydrophobicContact CG1-CE3 4.28Å; V421-V724 HydrophobicContact CG2-CG2 4.11Å |
| 422 | L | 82.8 | Confident | 85.9 | Confident | 31 Ų | 31 | 31 Ų | 31 | 16% | 0.162 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 176.5 | -178.5 | 71.9 | 0 | 0 | 0 | 112.7 | F376 L379 L380 T418 G419 E425 K426 | F376-L422 HydrophobicContact CD1-CD2 3.82Å; F376-L422 HydrophobicContact CE1-CD2 4.29Å; L379-L422 HydrophobicContact CB-CD2 4.43Å; L379-L422 HydrophobicContact CD1-CD2 4.48Å; L380-L422 HydrophobicContact CB-CD1 3.85Å; L380-L422 HydrophobicContact CD1-CD1 3.88Å; L380-L422 HydrophobicContact CG-CD1 4.39Å; T418-L422 PolarHBondContact O-N 3.18Å; T418-L422 VanDerWaalsContact O-N 3.16Å; G419-L422 WeakPolarHBondContact O-CB 3.2Å; G419-L422 PolarHBondContact O-N 3.31Å; G419-L422 VanDerWaalsContact O-N 3.16Å; L422-E425 PolarHBondContact O-N 3.23Å; L422-K426 PolarHBondContact O-N 3.32Å |
| 423 | V | 82.4 | Confident | 85.9 | Confident | 55 Ų | 55 | 37.2 Ų | 37.2 | 33% | 0.333 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 177.9 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | G419 P420 V421 E425 K426 I427 A855 | G419-V423 WeakPolarHBondContact O-CG2 3.41Å; G419-V423 PolarHBondContact O-N 3.41Å; P420-V423 PolarHBondContact O-N 3.05Å; V421-V423 VanDerWaalsContact C-N 3.34Å; V421-V423 PolarHBondContact O-N 2.88Å; V423-E425 VanDerWaalsContact C-N 3.31Å; V423-E425 PolarHBondContact O-N 3.48Å; V423-K426 PolarHBondContact O-N 2.87Å; V423-I427 HydrophobicContact CG1-CD1 3.87Å; V423-I427 WeakPolarHBondContact O-CG1 3.14Å; V423-I427 PolarHBondContact O-N 3.49Å; V423-I427 VanDerWaalsContact O-N 3.13Å; V423-A855 HydrophobicContact CG1-CB 4.32Å |
| 424 | F | 84.9 | Confident | 85.8 | Confident | 19 Ų | 19 | 43.1 Ų | 43.1 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.4 | -45.1 | 174.8 | 178.4 | -90.1 | 0 | 0 | 0 | 111.5 | P420 V421 I427 L428 I446 P669 L672 C673 W722 | P420-F424 PolarHBondContact O-N 3.24Å; V421-F424 WeakPolarHBondContact O-CB 3.29Å; V421-F424 PolarHBondContact O-N 2.82Å; F424-I427 PolarHBondContact O-N 3.46Å; F424-L428 HydrophobicContact CE1-CD2 4.25Å; F424-L428 WeakPolarHBondContact O-CB 3.3Å; F424-L428 PolarHBondContact O-N 3.26Å; F424-I446 HydrophobicContact CE1-CG2 4.38Å; F424-I446 HydrophobicContact CZ-CG2 4.19Å; F424-P669 HydrophobicContact CE2-CB 4.37Å; F424-P669 HydrophobicContact CZ-CB 4.11Å; F424-L672 HydrophobicContact CD2-CD2 4.34Å; F424-L672 HydrophobicContact CE2-CD2 4.48Å; F424-C673 HydrophobicContact CE1-CB 4.48Å; F424-C673 HydrophobicContact CE2-CB 4.25Å; F424-C673 HydrophobicContact CZ-CB 4.09Å; F424-W722 HydrophobicContact CD1-CH2 4.39Å; F424-W722 AromaticContact CD1-CZ3 3.67Å; F424-W722 HydrophobicContact CD1-CZ3 3.67Å; F424-W722 AromaticContact CE1-CH2 3.8Å; F424-W722 HydrophobicContact CE1-CH2 3.8Å; F424-W722 AromaticContact CE1-CZ3 3.48Å; F424-W722 HydrophobicContact CE1-CZ3 3.48Å; F424-W722 VanDerWaalsContact CE1-CZ3 3.48Å |
| 425 | E | 86.6 | Confident | 85.5 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 179.1 | -67.4 | -69 | -173.1 | 0 | 0 | 113.3 | L380 V421 L422 V423 I427 L428 F429 Y439 R443 | L380-E425 HydrophobicContact CD1-CB 3.89Å; V421-E425 HydrophobicContact CG1-CG 4.49Å; V421-E425 VanDerWaalsContact O-CG 3.28Å; V421-E425 WeakPolarHBondContact O-CG 3.25Å; V421-E425 PolarHBondContact O-N 2.98Å; L422-E425 PolarHBondContact O-N 3.23Å; V423-E425 VanDerWaalsContact C-N 3.31Å; V423-E425 PolarHBondContact O-N 3.48Å; E425-I427 VanDerWaalsContact C-N 3.28Å; E425-I427 PolarHBondContact O-N 3.4Å; E425-L428 PolarHBondContact O-N 3.4Å; E425-F429 WeakPolarHBondContact O-CB 3.16Å; E425-F429 PolarHBondContact O-N 2.65Å; E425-Y439 PolarHBondContact OE2-OH 3.43Å; E425-R443 IonicContact OE1-CZ 2.72Å; E425-R443 IonicContact OE1-NH1 3.62Å; E425-R443 PolarHBondContact OE1-NH1 2.92Å; E425-R443 IonicContact OE1-NH2 3.52Å; E425-R443 PolarHBondContact OE1-NH2 3.38Å; E425-R443 IonicContact OE2-CZ 3.6Å; E425-R443 IonicContact OE2-NH1 2.75Å; E425-R443 PolarHBondContact OE2-NH1 3.47Å |
| 426 | K | 84.8 | Confident | 85.2 | Confident | 131 Ų | 131 | 53.6 Ų | 53.6 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.1 | -39.9 | 177 | -175 | 171.7 | -176.4 | 171.9 | 0 | 111.5 | A383 L422 V423 K430 | A383-K426 HydrophobicContact CB-CD 4.44Å; A383-K426 HydrophobicContact CB-CG 4.3Å; L422-K426 PolarHBondContact O-N 3.32Å; V423-K426 PolarHBondContact O-N 2.87Å; K426-K430 WeakPolarHBondContact O-CB 3.49Å; K426-K430 PolarHBondContact O-N 3Å |
| 427 | I | 85.9 | Confident | 85.1 | Confident | 67 Ų | 67 | 54.8 Ų | 54.8 | 34% | 0.344 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.1 | -42.7 | 178.8 | -65.7 | 171 | 0 | 0 | 0 | 110.5 | V423 F424 E425 F429 K430 F431 I856 | V423-I427 HydrophobicContact CG1-CD1 3.87Å; V423-I427 WeakPolarHBondContact O-CG1 3.14Å; V423-I427 PolarHBondContact O-N 3.49Å; V423-I427 VanDerWaalsContact O-N 3.13Å; F424-I427 PolarHBondContact O-N 3.46Å; E425-I427 VanDerWaalsContact C-N 3.28Å; E425-I427 PolarHBondContact O-N 3.4Å; I427-F429 VanDerWaalsContact C-N 3.29Å; I427-F429 PolarHBondContact O-N 3.3Å; I427-K430 PolarHBondContact O-N 3.44Å; I427-F431 WeakPolarHBondContact O-CB 3.24Å; I427-F431 PolarHBondContact O-N 2.88Å; I427-I856 HydrophobicContact CD1-CD1 3.28Å; I427-I856 HydrophobicContact CD1-CG1 3.48Å; I427-I856 VanDerWaalsContact CD1-CG1 3.48Å; I427-I856 HydrophobicContact CG1-CD1 4.47Å; I427-I856 HydrophobicContact CG2-CD1 4.16Å |
| 428 | L | 87.5 | Confident | 85.3 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 174.6 | -177.8 | 63.9 | 0 | 0 | 0 | 111.2 | F424 E425 F431 C432 Y439 L442 R443 I446 | F424-L428 HydrophobicContact CE1-CD2 4.25Å; F424-L428 WeakPolarHBondContact O-CB 3.3Å; F424-L428 PolarHBondContact O-N 3.26Å; E425-L428 PolarHBondContact O-N 3.4Å; L428-F431 PolarHBondContact O-N 2.93Å; L428-C432 WeakPolarHBondContact O-CB 3.18Å; L428-C432 PolarHBondContact O-N 3.1Å; L428-C432 PolarHBondContact O-SG 3.42Å; L428-Y439 HydrophobicContact CB-CE2 4.35Å; L428-Y439 HydrophobicContact CD2-CD2 4.37Å; L428-Y439 HydrophobicContact CD2-CE2 3.94Å; L428-Y439 HydrophobicContact CG-CD2 4.18Å; L428-Y439 HydrophobicContact CG-CE2 4.03Å; L428-L442 HydrophobicContact CD1-CD2 3.8Å; L428-R443 HydrophobicContact CD2-CB 4.3Å; L428-I446 HydrophobicContact CD1-CD1 3.41Å; L428-I446 VanDerWaalsContact CD1-CD1 3.41Å; L428-I446 HydrophobicContact CD2-CD1 3.77Å; L428-I446 HydrophobicContact CG-CD1 4.26Å |
| 429 | F | 88.8 | Confident | 85.5 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 6% | 0.057 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 176.6 | -178.1 | -100.7 | 0 | 0 | 0 | 112.1 | A383 T384 E385 E425 I427 F431 C432 K433 Y439 | A383-F429 WeakPolarHBondContact O-CD1 3.34Å; A383-F429 VanDerWaalsContact O-CE1 3.29Å; A383-F429 WeakPolarHBondContact O-CE1 3.14Å; T384-F429 HydrophobicContact CG2-CB 4.39Å; T384-F429 HydrophobicContact CG2-CD2 4.24Å; T384-F429 HydrophobicContact CG2-CG 4.28Å; T384-F429 WeakPolarHBondContact O-CE2 3.33Å; E385-F429 HydrophobicContact CB-CZ 4.19Å; E385-F429 HydrophobicContact CG-CE1 4.22Å; E385-F429 HydrophobicContact CG-CZ 3.99Å; E425-F429 WeakPolarHBondContact O-CB 3.16Å; E425-F429 PolarHBondContact O-N 2.65Å; I427-F429 VanDerWaalsContact C-N 3.29Å; I427-F429 PolarHBondContact O-N 3.3Å; F429-F431 VanDerWaalsContact C-N 3.35Å; F429-F431 PolarHBondContact O-N 3.18Å; F429-C432 PolarHBondContact O-N 2.9Å; F429-K433 PolarHBondContact O-N 3.37Å; F429-Y439 HydrophobicContact CB-CD2 4.03Å; F429-Y439 HydrophobicContact CB-CE2 4.02Å; F429-Y439 HydrophobicContact CD2-CD1 4.05Å; F429-Y439 HydrophobicContact CD2-CD2 4.01Å; F429-Y439 HydrophobicContact CD2-CE1 4.49Å; F429-Y439 HydrophobicContact CD2-CE2 4.46Å; F429-Y439 AromaticContact CD2-CG 3.79Å; F429-Y439 HydrophobicContact CD2-CG 3.79Å |
| 430 | K | 86.6 | Confident | 85.8 | Confident | 117 Ų | 117 | 54.6 Ų | 54.6 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 176.7 | -176.2 | 175.2 | 172.5 | 178.1 | 0 | 111.8 | K426 I427 K433 E434 | K426-K430 WeakPolarHBondContact O-CB 3.49Å; K426-K430 PolarHBondContact O-N 3Å; I427-K430 PolarHBondContact O-N 3.44Å; K430-K433 PolarHBondContact O-N 3.37Å; K430-E434 WeakPolarHBondContact CE-OE1 3.27Å; K430-E434 IonicContact NZ-OE1 3.88Å; K430-E434 WeakPolarHBondContact O-CG 3.28Å; K430-E434 PolarHBondContact O-N 3.44Å |
| 431 | F | 86.9 | Confident | 86.3 | Confident | 89 Ų | 89 | 53.6 Ų | 53.6 | 39% | 0.39 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59 | -47 | 174.3 | 179.2 | -94 | 0 | 0 | 0 | 111.3 | I427 L428 F429 K433 E434 Y435 L437 L442 | I427-F431 WeakPolarHBondContact O-CB 3.24Å; I427-F431 PolarHBondContact O-N 2.88Å; L428-F431 PolarHBondContact O-N 2.93Å; F429-F431 VanDerWaalsContact C-N 3.35Å; F429-F431 PolarHBondContact O-N 3.18Å; F431-K433 VanDerWaalsContact C-N 3.26Å; F431-K433 PolarHBondContact O-N 2.94Å; F431-E434 PolarHBondContact O-N 3.32Å; F431-Y435 HydrophobicContact CD1-CD2 4.29Å; F431-Y435 AromaticContact CD2-CD2 3.59Å; F431-Y435 HydrophobicContact CD2-CD2 3.59Å; F431-Y435 AromaticContact CD2-CE2 3.44Å; F431-Y435 HydrophobicContact CD2-CE2 3.44Å; F431-Y435 VanDerWaalsContact CD2-CE2 3.44Å; F431-Y435 HydrophobicContact CE1-CD2 4.13Å; F431-Y435 AromaticContact CE2-CD2 3.42Å; F431-Y435 HydrophobicContact CE2-CD2 3.42Å; F431-Y435 VanDerWaalsContact CE2-CD2 3.42Å; F431-Y435 AromaticContact CE2-CE2 3.13Å; F431-Y435 HydrophobicContact CE2-CE2 3.13Å; F431-Y435 HydrophobicContact CE2-CG 4.42Å; F431-Y435 AromaticContact CE2-CZ 3.94Å; F431-Y435 HydrophobicContact CG-CD2 4.03Å; F431-Y435 HydrophobicContact CG-CE2 4.32Å; F431-Y435 AromaticContact CZ-CD2 3.7Å; F431-Y435 HydrophobicContact CZ-CD2 3.7Å; F431-Y435 AromaticContact CZ-CE2 3.81Å; F431-Y435 HydrophobicContact CZ-CE2 3.81Å; F431-Y435 HydrophobicContact CZ-CG 4.33Å; F431-Y435 VanDerWaalsContact O-CD2 3.31Å; F431-Y435 WeakPolarHBondContact O-CD2 3.44Å; F431-Y435 PolarHBondContact O-N 2.97Å; F431-Y435 VanDerWaalsContact O-N 3.08Å; F431-L437 HydrophobicContact CE1-CD1 4.16Å; F431-L442 HydrophobicContact CD1-CD2 4.45Å |
| 432 | C | 87.7 | Confident | 86.5 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -37.5 | 176.9 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | L428 F429 G436 L437 L442 | L428-C432 WeakPolarHBondContact O-CB 3.18Å; L428-C432 PolarHBondContact O-N 3.1Å; L428-C432 PolarHBondContact O-SG 3.42Å; F429-C432 PolarHBondContact O-N 2.9Å; C432-G436 CarbonylContact O-C 3.59Å; C432-G436 WeakPolarHBondContact O-CA 3.36Å; C432-G436 PolarHBondContact O-N 3.19Å; C432-L437 HydrophobicContact CB-CB 4.45Å; C432-L437 PolarHBondContact O-N 2.74Å; C432-L442 WeakPolarHBondContact SG-CD2 3.43Å |
| 433 | K | 87.8 | Confident | 86.9 | Confident | 131 Ų | 131 | 52.2 Ų | 52.2 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -69.2 | -41.4 | 178.8 | -169.3 | 172.7 | -179.4 | 173.1 | 0 | 112.3 | E385 F429 K430 F431 | E385-K433 IonicContact OE1-NZ 2.64Å; E385-K433 PolarHBondContact OE1-NZ 2.88Å; F429-K433 PolarHBondContact O-N 3.37Å; K430-K433 PolarHBondContact O-N 3.37Å; F431-K433 VanDerWaalsContact C-N 3.26Å; F431-K433 PolarHBondContact O-N 2.94Å |
| 434 | E | 89 | Confident | 87.3 | Confident | 126 Ų | 126 | 49.6 Ų | 49.6 | 59% | 0.589 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -67.8 | -37.8 | 178.8 | -72.9 | 174.8 | -176.1 | 0 | 0 | 112.5 | K430 F431 | K430-E434 WeakPolarHBondContact CE-OE1 3.27Å; K430-E434 IonicContact NZ-OE1 3.88Å; K430-E434 WeakPolarHBondContact O-CG 3.28Å; K430-E434 PolarHBondContact O-N 3.44Å; F431-E434 PolarHBondContact O-N 3.32Å |
| 435 | Y | 85.3 | Confident | 87.6 | Confident | 157 Ų | 157 | 49.3 Ų | 49.3 | 62% | 0.616 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 2.2 | -179.3 | -70.2 | -84 | 0 | 0 | 0 | 114.3 | F431 L437 | F431-Y435 HydrophobicContact CD1-CD2 4.29Å; F431-Y435 AromaticContact CD2-CD2 3.59Å; F431-Y435 HydrophobicContact CD2-CD2 3.59Å; F431-Y435 AromaticContact CD2-CE2 3.44Å; F431-Y435 HydrophobicContact CD2-CE2 3.44Å; F431-Y435 VanDerWaalsContact CD2-CE2 3.44Å; F431-Y435 HydrophobicContact CE1-CD2 4.13Å; F431-Y435 AromaticContact CE2-CD2 3.42Å; F431-Y435 HydrophobicContact CE2-CD2 3.42Å; F431-Y435 VanDerWaalsContact CE2-CD2 3.42Å; F431-Y435 AromaticContact CE2-CE2 3.13Å; F431-Y435 HydrophobicContact CE2-CE2 3.13Å; F431-Y435 HydrophobicContact CE2-CG 4.42Å; F431-Y435 AromaticContact CE2-CZ 3.94Å; F431-Y435 HydrophobicContact CG-CD2 4.03Å; F431-Y435 HydrophobicContact CG-CE2 4.32Å; F431-Y435 AromaticContact CZ-CD2 3.7Å; F431-Y435 HydrophobicContact CZ-CD2 3.7Å; F431-Y435 AromaticContact CZ-CE2 3.81Å; F431-Y435 HydrophobicContact CZ-CE2 3.81Å; F431-Y435 HydrophobicContact CZ-CG 4.33Å; F431-Y435 VanDerWaalsContact O-CD2 3.31Å; F431-Y435 WeakPolarHBondContact O-CD2 3.44Å; F431-Y435 PolarHBondContact O-N 2.97Å; F431-Y435 VanDerWaalsContact O-N 3.08Å; Y435-L437 VanDerWaalsContact C-N 3.27Å; Y435-L437 PolarHBondContact O-N 2.64Å |
| 436 | G | 84.7 | Confident | 87.8 | Confident | 68 Ų | 68 | 49.2 Ų | 49.2 | 70% | 0.701 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 23.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | C432 | C432-G436 CarbonylContact O-C 3.59Å; C432-G436 WeakPolarHBondContact O-CA 3.36Å; C432-G436 PolarHBondContact O-N 3.19Å |
| 437 | L | 86.1 | Confident | 88.2 | Confident | 29 Ų | 29 | 43 Ų | 43 | 15% | 0.152 | 22% | 0.217 | C | C | . | . | trans | -86.9 | 151.1 | -179.4 | -63.7 | 174.6 | 0 | 0 | 0 | 111.8 | F431 C432 Y435 Y439 L442 T662 | F431-L437 HydrophobicContact CE1-CD1 4.16Å; C432-L437 HydrophobicContact CB-CB 4.45Å; C432-L437 PolarHBondContact O-N 2.74Å; Y435-L437 VanDerWaalsContact C-N 3.27Å; Y435-L437 PolarHBondContact O-N 2.64Å; L437-Y439 PolarHBondContact O-N 3.17Å; L437-L442 HydrophobicContact CD1-CD2 4.4Å; L437-T662 HydrophobicContact CD1-CG2 4.43Å; L437-T662 HydrophobicContact CD2-CG2 4.09Å | ||
| 438 | S | 87.3 | Confident | 88.5 | Confident | 27 Ų | 27 | 43.1 Ų | 43.1 | 19% | 0.189 | 22% | 0.218 | C | C | . | . | trans | -76.3 | 109.7 | 173.6 | 68 | 0 | 0 | 0 | 0 | 111 | L440 S441 L442 P657 N658 | S438-L440 PolarHBondContact O-N 3.08Å; S438-S441 PolarHBondContact O-N 3.15Å; S438-L442 PolarHBondContact O-N 2.83Å; S438-L442 VanDerWaalsContact O-N 3.13Å; S438-P657 WeakPolarHBondContact OG-CD 3.43Å; S438-P657 WeakPolarHBondContact OG-CG 3.43Å; S438-N658 WeakPolarHBondContact CB-OD1 3.42Å; S438-N658 PolarHBondContact N-OD1 3.23Å; S438-N658 PolarHBondContact O-ND2 3.19Å; S438-N658 VanDerWaalsContact O-ND2 3.15Å; S438-N658 PolarHBondContact OG-ND2 3.44Å; S438-N658 PolarHBondContact OG-OD1 3.44Å | ||
| 439 | Y | 87.5 | Confident | 88.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53 | -46.9 | -178.5 | 168 | -108.6 | 0 | 0 | 0 | 114.1 | T384 R387 I388 E425 L428 F429 L437 L442 R443 | T384-Y439 HydrophobicContact CG2-CE1 4.25Å; R387-Y439 HydrophobicContact CB-CD1 4.37Å; I388-Y439 HydrophobicContact CD1-CE1 3.97Å; I388-Y439 HydrophobicContact CG1-CE1 4.44Å; E425-Y439 PolarHBondContact OE2-OH 3.43Å; L428-Y439 HydrophobicContact CB-CE2 4.35Å; L428-Y439 HydrophobicContact CD2-CD2 4.37Å; L428-Y439 HydrophobicContact CD2-CE2 3.94Å; L428-Y439 HydrophobicContact CG-CD2 4.18Å; L428-Y439 HydrophobicContact CG-CE2 4.03Å; F429-Y439 HydrophobicContact CB-CD2 4.03Å; F429-Y439 HydrophobicContact CB-CE2 4.02Å; F429-Y439 HydrophobicContact CD2-CD1 4.05Å; F429-Y439 HydrophobicContact CD2-CD2 4.01Å; F429-Y439 HydrophobicContact CD2-CE1 4.49Å; F429-Y439 HydrophobicContact CD2-CE2 4.46Å; F429-Y439 AromaticContact CD2-CG 3.79Å; F429-Y439 HydrophobicContact CD2-CG 3.79Å; L437-Y439 PolarHBondContact O-N 3.17Å; Y439-L442 PolarHBondContact O-N 2.9Å; Y439-R443 VanDerWaalsContact O-CB 3.23Å; Y439-R443 WeakPolarHBondContact O-CB 3.13Å; Y439-R443 PolarHBondContact O-N 3.05Å; Y439-R443 PolarHBondContact OH-NH1 3.17Å |
| 440 | L | 87.3 | Confident | 89.1 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 18% | 0.183 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.1 | -43.6 | -174.4 | -74.1 | 168 | 0 | 0 | 0 | 112.6 | I388 S438 R443 T444 I652 | I388-L440 HydrophobicContact CD1-CD2 4.5Å; I388-L440 HydrophobicContact CG1-CD2 4.38Å; S438-L440 PolarHBondContact O-N 3.08Å; L440-R443 WeakPolarHBondContact O-CB 3.48Å; L440-R443 PolarHBondContact O-N 2.92Å; L440-T444 PolarHBondContact O-N 2.75Å; L440-T444 PolarHBondContact O-OG1 2.96Å; L440-T444 VanDerWaalsContact O-OG1 3.09Å; L440-I652 HydrophobicContact CB-CD1 4.15Å; L440-I652 HydrophobicContact CB-CG2 4.35Å; L440-I652 HydrophobicContact CD2-CD1 3.92Å; L440-I652 HydrophobicContact CG-CD1 4.47Å |
| 441 | S | 88.2 | Confident | 89.5 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.1 | -40.9 | 177 | 151.7 | 0 | 0 | 0 | 0 | 111.5 | S438 R443 T444 C445 P654 N658 | S438-S441 PolarHBondContact O-N 3.15Å; S441-R443 VanDerWaalsContact C-N 3.32Å; S441-R443 PolarHBondContact O-N 3.45Å; S441-T444 PolarHBondContact O-N 2.89Å; S441-C445 PolarHBondContact O-N 3.23Å; S441-P654 PolarHBondContact OG-O 3.24Å; S441-N658 PolarHBondContact OG-ND2 3.08Å |
| 442 | L | 89 | Confident | 89.8 | Confident | 8 Ų | 8 | 42.5 Ų | 42.5 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.3 | -164.5 | 74.4 | 0 | 0 | 0 | 111.4 | L428 F431 C432 L437 S438 Y439 C445 I446 T666 | L428-L442 HydrophobicContact CD1-CD2 3.8Å; F431-L442 HydrophobicContact CD1-CD2 4.45Å; C432-L442 WeakPolarHBondContact SG-CD2 3.43Å; L437-L442 HydrophobicContact CD1-CD2 4.4Å; S438-L442 PolarHBondContact O-N 2.83Å; S438-L442 VanDerWaalsContact O-N 3.13Å; Y439-L442 PolarHBondContact O-N 2.9Å; L442-C445 PolarHBondContact O-N 2.92Å; L442-I446 HydrophobicContact CG-CD1 4.25Å; L442-I446 WeakPolarHBondContact O-CG1 3.3Å; L442-I446 PolarHBondContact O-N 2.64Å; L442-T666 HydrophobicContact CD1-CG2 3.3Å; L442-T666 HydrophobicContact CG-CG2 3.86Å |
| 443 | R | 90.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -46.8 | 173.3 | 179.3 | -163.7 | 176.4 | 86.8 | 32.4 | 111.5 | E425 L428 Y439 L440 S441 C445 I446 G447 L720 W722 | E425-R443 IonicContact OE1-CZ 2.72Å; E425-R443 IonicContact OE1-NH1 3.62Å; E425-R443 PolarHBondContact OE1-NH1 2.92Å; E425-R443 IonicContact OE1-NH2 3.52Å; E425-R443 PolarHBondContact OE1-NH2 3.38Å; E425-R443 IonicContact OE2-CZ 3.6Å; E425-R443 IonicContact OE2-NH1 2.75Å; E425-R443 PolarHBondContact OE2-NH1 3.47Å; L428-R443 HydrophobicContact CD2-CB 4.3Å; Y439-R443 VanDerWaalsContact O-CB 3.23Å; Y439-R443 WeakPolarHBondContact O-CB 3.13Å; Y439-R443 PolarHBondContact O-N 3.05Å; Y439-R443 PolarHBondContact OH-NH1 3.17Å; L440-R443 WeakPolarHBondContact O-CB 3.48Å; L440-R443 PolarHBondContact O-N 2.92Å; S441-R443 VanDerWaalsContact C-N 3.32Å; S441-R443 PolarHBondContact O-N 3.45Å; R443-C445 VanDerWaalsContact C-N 3.35Å; R443-C445 PolarHBondContact O-N 3.4Å; R443-I446 PolarHBondContact O-N 3.48Å; R443-G447 PolarHBondContact O-N 2.99Å; R443-L720 PolarHBondContact NH2-O 2.87Å; R443-W722 HydrophobicContact CG-CH2 4.48Å; R443-W722 HydrophobicContact CG-CZ2 3.87Å |
| 444 | T | 90.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.3 | -42.3 | 178 | -58 | 0 | 0 | 0 | 0 | 111.6 | L440 S441 G447 L448 P654 S716 | L440-T444 PolarHBondContact O-N 2.75Å; L440-T444 PolarHBondContact O-OG1 2.96Å; L440-T444 VanDerWaalsContact O-OG1 3.09Å; S441-T444 PolarHBondContact O-N 2.89Å; T444-G447 PolarHBondContact O-N 3.24Å; T444-L448 HydrophobicContact CG2-CD1 4.07Å; T444-L448 HydrophobicContact CG2-CG 4.44Å; T444-L448 VanDerWaalsContact O-CG 3.32Å; T444-L448 WeakPolarHBondContact O-CG 3.3Å; T444-L448 PolarHBondContact O-N 3.17Å; T444-P654 HydrophobicContact CG2-CB 4.1Å; T444-S716 PolarHBondContact OG1-O 3.31Å |
| 445 | C | 91.6 | Very high | 90.4 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 8% | 0.081 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 175.1 | -75.5 | 0 | 0 | 0 | 0 | 112.8 | S441 L442 R443 G447 L448 W449 P654 T666 | S441-C445 PolarHBondContact O-N 3.23Å; L442-C445 PolarHBondContact O-N 2.92Å; R443-C445 VanDerWaalsContact C-N 3.35Å; R443-C445 PolarHBondContact O-N 3.4Å; C445-G447 VanDerWaalsContact C-N 3.28Å; C445-G447 PolarHBondContact O-N 3.33Å; C445-L448 PolarHBondContact O-N 3.3Å; C445-W449 VanDerWaalsContact O-CD1 3.24Å; C445-W449 PolarHBondContact O-N 3.38Å; C445-P654 PolarHBondContact SG-O 3.44Å; C445-T666 HydrophobicContact CB-CG2 4.42Å |
| 446 | I | 92.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 175.1 | -66.4 | 167 | 0 | 0 | 0 | 110.3 | F424 L428 L442 R443 W449 T450 T666 P669 A670 W722 | F424-I446 HydrophobicContact CE1-CG2 4.38Å; F424-I446 HydrophobicContact CZ-CG2 4.19Å; L428-I446 HydrophobicContact CD1-CD1 3.41Å; L428-I446 VanDerWaalsContact CD1-CD1 3.41Å; L428-I446 HydrophobicContact CD2-CD1 3.77Å; L428-I446 HydrophobicContact CG-CD1 4.26Å; L442-I446 HydrophobicContact CG-CD1 4.25Å; L442-I446 WeakPolarHBondContact O-CG1 3.3Å; L442-I446 PolarHBondContact O-N 2.64Å; R443-I446 PolarHBondContact O-N 3.48Å; I446-W449 PolarHBondContact O-N 3.45Å; I446-T450 HydrophobicContact CG2-CG2 4.31Å; I446-T450 WeakPolarHBondContact O-CB 3.29Å; I446-T450 VanDerWaalsContact O-CG2 3.29Å; I446-T450 WeakPolarHBondContact O-CG2 3.07Å; I446-T450 PolarHBondContact O-N 3.13Å; I446-T450 PolarHBondContact O-OG1 2.98Å; I446-T666 HydrophobicContact CD1-CG2 4.15Å; I446-T666 HydrophobicContact CG1-CG2 3.57Å; I446-P669 HydrophobicContact CD1-CB 4.14Å; I446-P669 HydrophobicContact CG1-CB 4.41Å; I446-A670 HydrophobicContact CG2-CB 4.21Å; I446-W722 HydrophobicContact CB-CH2 4.37Å; I446-W722 HydrophobicContact CG2-CH2 3.78Å; I446-W722 HydrophobicContact CG2-CZ2 4.44Å |
| 447 | G | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R443 T444 C445 T450 A451 L712 S716 | R443-G447 PolarHBondContact O-N 2.99Å; T444-G447 PolarHBondContact O-N 3.24Å; C445-G447 VanDerWaalsContact C-N 3.28Å; C445-G447 PolarHBondContact O-N 3.33Å; G447-T450 WeakPolarHBondContact CA-OG1 3.3Å; G447-T450 PolarHBondContact O-OG1 3.5Å; G447-A451 WeakPolarHBondContact O-CB 3.48Å; G447-A451 PolarHBondContact O-N 3.23Å; G447-L712 WeakPolarHBondContact O-CD2 3.38Å; G447-S716 VanDerWaalsContact CA-OG 3.24Å; G447-S716 WeakPolarHBondContact CA-OG 3.24Å |
| 448 | L | 92.4 | Very high | 91.2 | Very high | 71 Ų | 71 | 28.5 Ų | 28.5 | 37% | 0.372 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -72 | -40.1 | 176.9 | -70.7 | 170.7 | 0 | 0 | 0 | 111.7 | T444 C445 A451 F452 P654 V717 | T444-L448 HydrophobicContact CG2-CD1 4.07Å; T444-L448 HydrophobicContact CG2-CG 4.44Å; T444-L448 VanDerWaalsContact O-CG 3.32Å; T444-L448 WeakPolarHBondContact O-CG 3.3Å; T444-L448 PolarHBondContact O-N 3.17Å; C445-L448 PolarHBondContact O-N 3.3Å; L448-A451 PolarHBondContact O-N 3.44Å; L448-F452 WeakPolarHBondContact O-CB 3.34Å; L448-F452 PolarHBondContact O-N 3.09Å; L448-P654 HydrophobicContact CD1-CB 4.06Å; L448-V717 HydrophobicContact CD2-CG2 4.09Å |
| 449 | W | 94.6 | Very high | 91.3 | Very high | 94 Ų | 94 | 27.6 Ų | 27.6 | 36% | 0.356 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -65.4 | -41.8 | 174.2 | -81.1 | 118.2 | 0 | 0 | 0 | 112.5 | C445 I446 F452 L453 A663 V667 A670 | C445-W449 VanDerWaalsContact O-CD1 3.24Å; C445-W449 PolarHBondContact O-N 3.38Å; I446-W449 PolarHBondContact O-N 3.45Å; W449-F452 HydrophobicContact CE3-CD1 4.11Å; W449-F452 HydrophobicContact CZ3-CD1 4.11Å; W449-F452 HydrophobicContact CZ3-CE1 4.4Å; W449-F452 PolarHBondContact O-N 3.47Å; W449-L453 WeakPolarHBondContact O-CB 3.35Å; W449-L453 VanDerWaalsContact O-CG 3.29Å; W449-L453 WeakPolarHBondContact O-CG 3.39Å; W449-L453 PolarHBondContact O-N 3.39Å; W449-A663 PolarHBondContact NE1-O 2.99Å; W449-V667 HydrophobicContact CD2-CG2 3.66Å; W449-V667 HydrophobicContact CE3-CG2 4.06Å; W449-V667 HydrophobicContact CG-CG2 4.07Å; W449-V667 HydrophobicContact CH2-CG2 4.24Å; W449-V667 HydrophobicContact CZ2-CG2 3.84Å; W449-V667 HydrophobicContact CZ3-CG2 4.33Å; W449-A670 HydrophobicContact CB-CB 3.49Å; W449-A670 VanDerWaalsContact CB-CB 3.49Å |
| 450 | T | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 174.7 | 42.3 | 0 | 0 | 0 | 0 | 111.5 | I446 G447 F452 L453 C454 A670 C673 L712 | I446-T450 HydrophobicContact CG2-CG2 4.31Å; I446-T450 WeakPolarHBondContact O-CB 3.29Å; I446-T450 VanDerWaalsContact O-CG2 3.29Å; I446-T450 WeakPolarHBondContact O-CG2 3.07Å; I446-T450 PolarHBondContact O-N 3.13Å; I446-T450 PolarHBondContact O-OG1 2.98Å; G447-T450 WeakPolarHBondContact CA-OG1 3.3Å; G447-T450 PolarHBondContact O-OG1 3.5Å; T450-F452 VanDerWaalsContact C-N 3.33Å; T450-F452 PolarHBondContact O-N 3.17Å; T450-L453 PolarHBondContact O-N 3.09Å; T450-C454 WeakPolarHBondContact O-CB 3.36Å; T450-C454 PolarHBondContact O-N 3.49Å; T450-C454 PolarHBondContact O-SG 2.92Å; T450-C454 VanDerWaalsContact O-SG 3.35Å; T450-A670 HydrophobicContact CG2-CB 3.84Å; T450-A670 WeakPolarHBondContact CG2-O 3.41Å; T450-C673 HydrophobicContact CG2-CB 3.63Å; T450-L712 WeakPolarHBondContact OG1-CD2 3.44Å |
| 451 | A | 94.5 | Very high | 91.1 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 8% | 0.083 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | G447 L448 C454 I455 G709 L712 | G447-A451 WeakPolarHBondContact O-CB 3.48Å; G447-A451 PolarHBondContact O-N 3.23Å; L448-A451 PolarHBondContact O-N 3.44Å; A451-C454 PolarHBondContact O-N 3.5Å; A451-I455 WeakPolarHBondContact O-CG1 3.44Å; A451-I455 PolarHBondContact O-N 3.23Å; A451-I455 VanDerWaalsContact O-N 3.07Å; A451-G709 WeakPolarHBondContact CB-O 3.41Å; A451-L712 HydrophobicContact CB-CD2 4.37Å |
| 452 | F | 94.4 | Very high | 90.7 | Very high | 114 Ų | 114 | 29.1 Ų | 29.1 | 50% | 0.5 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 175.4 | 175.3 | -100.5 | 0 | 0 | 0 | 112.4 | L448 W449 T450 C454 I455 L456 | L448-F452 WeakPolarHBondContact O-CB 3.34Å; L448-F452 PolarHBondContact O-N 3.09Å; W449-F452 HydrophobicContact CE3-CD1 4.11Å; W449-F452 HydrophobicContact CZ3-CD1 4.11Å; W449-F452 HydrophobicContact CZ3-CE1 4.4Å; W449-F452 PolarHBondContact O-N 3.47Å; T450-F452 VanDerWaalsContact C-N 3.33Å; T450-F452 PolarHBondContact O-N 3.17Å; F452-C454 PolarHBondContact O-N 3.44Å; F452-I455 PolarHBondContact O-N 2.89Å; F452-L456 HydrophobicContact CE1-CD1 4.33Å; F452-L456 HydrophobicContact CZ-CD1 4.5Å; F452-L456 PolarHBondContact O-N 2.68Å |
| 453 | L | 93.5 | Very high | 90 | Very high | 35 Ų | 35 | 28.8 Ų | 28.8 | 18% | 0.183 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.3 | -37.9 | 178.3 | -69.9 | 173.4 | 0 | 0 | 0 | 112 | W449 T450 L456 L457 L671 T674 | W449-L453 WeakPolarHBondContact O-CB 3.35Å; W449-L453 VanDerWaalsContact O-CG 3.29Å; W449-L453 WeakPolarHBondContact O-CG 3.39Å; W449-L453 PolarHBondContact O-N 3.39Å; T450-L453 PolarHBondContact O-N 3.09Å; L453-L456 WeakPolarHBondContact O-CB 3.46Å; L453-L456 PolarHBondContact O-N 3.26Å; L453-L457 WeakPolarHBondContact O-CG 3.28Å; L453-L457 PolarHBondContact O-N 2.86Å; L453-L671 HydrophobicContact CD1-CB 4.33Å; L453-T674 HydrophobicContact CB-CG2 3.81Å |
| 454 | C | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 172.7 | -74.4 | 0 | 0 | 0 | 0 | 111.8 | T450 A451 F452 L456 L457 V458 | T450-C454 WeakPolarHBondContact O-CB 3.36Å; T450-C454 PolarHBondContact O-N 3.49Å; T450-C454 PolarHBondContact O-SG 2.92Å; T450-C454 VanDerWaalsContact O-SG 3.35Å; A451-C454 PolarHBondContact O-N 3.5Å; F452-C454 PolarHBondContact O-N 3.44Å; C454-L456 VanDerWaalsContact C-N 3.28Å; C454-L456 PolarHBondContact O-N 3.2Å; C454-L457 PolarHBondContact O-N 3.22Å; C454-V458 WeakPolarHBondContact O-CG2 3.03Å; C454-V458 PolarHBondContact O-N 2.8Å |
| 455 | I | 91.7 | Very high | 88.2 | Confident | 64 Ų | 64 | 34.4 Ų | 34.4 | 33% | 0.328 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.8 | -38.6 | 176 | -66.5 | 164.8 | 0 | 0 | 0 | 110.6 | F332 A451 F452 V458 A459 L706 | F332-I455 HydrophobicContact CZ-CG2 4.34Å; A451-I455 WeakPolarHBondContact O-CG1 3.44Å; A451-I455 PolarHBondContact O-N 3.23Å; A451-I455 VanDerWaalsContact O-N 3.07Å; F452-I455 PolarHBondContact O-N 2.89Å; I455-V458 PolarHBondContact O-N 2.92Å; I455-A459 WeakPolarHBondContact O-CB 3.42Å; I455-A459 PolarHBondContact O-N 3.37Å; I455-L706 HydrophobicContact CG1-CD1 4.19Å |
| 456 | L | 92.6 | Very high | 87.4 | Confident | 77 Ų | 77 | 34.1 Ų | 34.1 | 40% | 0.403 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.8 | -39.7 | 175.8 | -172.2 | 149.7 | 0 | 0 | 0 | 112.2 | F452 L453 C454 V458 A459 T460 | F452-L456 HydrophobicContact CE1-CD1 4.33Å; F452-L456 HydrophobicContact CZ-CD1 4.5Å; F452-L456 PolarHBondContact O-N 2.68Å; L453-L456 WeakPolarHBondContact O-CB 3.46Å; L453-L456 PolarHBondContact O-N 3.26Å; C454-L456 VanDerWaalsContact C-N 3.28Å; C454-L456 PolarHBondContact O-N 3.2Å; L456-V458 VanDerWaalsContact C-N 3.33Å; L456-V458 PolarHBondContact O-N 2.97Å; L456-A459 PolarHBondContact O-N 3.37Å; L456-T460 HydrophobicContact CD2-CG2 4.16Å; L456-T460 WeakPolarHBondContact O-CB 3.29Å; L456-T460 WeakPolarHBondContact O-CG2 2.84Å; L456-T460 PolarHBondContact O-N 3.07Å; L456-T460 PolarHBondContact O-OG1 3.44Å |
| 457 | L | 90.2 | Very high | 86.3 | Confident | 43 Ų | 43 | 35.6 Ų | 35.6 | 23% | 0.225 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | 174.1 | -71.3 | 177.8 | 0 | 0 | 0 | 111.9 | L453 C454 T460 D461 A462 T674 F678 L705 | L453-L457 WeakPolarHBondContact O-CG 3.28Å; L453-L457 PolarHBondContact O-N 2.86Å; C454-L457 PolarHBondContact O-N 3.22Å; L457-T460 WeakPolarHBondContact CA-OG1 3.34Å; L457-T460 PolarHBondContact O-N 3.41Å; L457-T460 PolarHBondContact O-OG1 3.32Å; L457-D461 PolarHBondContact O-N 2.74Å; L457-A462 HydrophobicContact CB-CB 4.06Å; L457-A462 HydrophobicContact CD2-CB 3.78Å; L457-A462 HydrophobicContact CG-CB 4.5Å; L457-A462 VanDerWaalsContact O-CB 3.32Å; L457-A462 WeakPolarHBondContact O-CB 3.42Å; L457-A462 PolarHBondContact O-N 2.93Å; L457-T674 HydrophobicContact CD1-CG2 3.71Å; L457-F678 HydrophobicContact CD1-CB 4.42Å; L457-F678 HydrophobicContact CD1-CD2 3.96Å; L457-F678 HydrophobicContact CD1-CG 4.31Å; L457-L705 HydrophobicContact CB-CD2 4.32Å |
| 458 | V | 89.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 173.7 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | F332 L335 C454 I455 L456 T460 D461 H702 L705 L706 | F332-V458 HydrophobicContact CD1-CG1 4.34Å; F332-V458 HydrophobicContact CE1-CG1 4.45Å; L335-V458 HydrophobicContact CB-CG1 4.31Å; L335-V458 HydrophobicContact CD2-CG1 4.42Å; C454-V458 WeakPolarHBondContact O-CG2 3.03Å; C454-V458 PolarHBondContact O-N 2.8Å; I455-V458 PolarHBondContact O-N 2.92Å; L456-V458 VanDerWaalsContact C-N 3.33Å; L456-V458 PolarHBondContact O-N 2.97Å; V458-T460 VanDerWaalsContact C-N 3.28Å; V458-T460 PolarHBondContact O-N 2.62Å; V458-D461 PolarHBondContact O-N 3.21Å; V458-H702 HydrophobicContact CG1-CB 4.34Å; V458-L705 HydrophobicContact CG2-CB 3.98Å; V458-L705 HydrophobicContact CG2-CD2 3.72Å; V458-L705 HydrophobicContact CG2-CG 3.8Å; V458-L706 HydrophobicContact CG1-CB 4.39Å; V458-L706 HydrophobicContact CG2-CB 4.18Å |
| 459 | A | 89.2 | Confident | 84.6 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.7 | -30.2 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | W331 F332 I455 L456 D461 | W331-A459 HydrophobicContact CE3-CB 4.42Å; F332-A459 HydrophobicContact CD1-CB 4.47Å; F332-A459 HydrophobicContact CD2-CB 4.3Å; F332-A459 HydrophobicContact CE1-CB 4.05Å; F332-A459 HydrophobicContact CE2-CB 3.85Å; F332-A459 HydrophobicContact CZ-CB 3.73Å; F332-A459 PolarHBondContact N-O 3.4Å; I455-A459 WeakPolarHBondContact O-CB 3.42Å; I455-A459 PolarHBondContact O-N 3.37Å; L456-A459 PolarHBondContact O-N 3.37Å; A459-D461 VanDerWaalsContact C-N 3.34Å |
| 460 | T | 87.9 | Confident | 83.8 | Confident | 58 Ų | 58 | 37 Ų | 37 | 36% | 0.356 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 6.9 | -179.1 | 51.8 | 0 | 0 | 0 | 0 | 114.1 | L456 L457 V458 A462 | L456-T460 HydrophobicContact CD2-CG2 4.16Å; L456-T460 WeakPolarHBondContact O-CB 3.29Å; L456-T460 WeakPolarHBondContact O-CG2 2.84Å; L456-T460 PolarHBondContact O-N 3.07Å; L456-T460 PolarHBondContact O-OG1 3.44Å; L457-T460 WeakPolarHBondContact CA-OG1 3.34Å; L457-T460 PolarHBondContact O-N 3.41Å; L457-T460 PolarHBondContact O-OG1 3.32Å; V458-T460 VanDerWaalsContact C-N 3.28Å; V458-T460 PolarHBondContact O-N 2.62Å; T460-A462 PolarHBondContact O-N 2.74Å |
| 461 | D | 82.8 | Confident | 83 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.027 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 36.9 | -174.3 | -71.7 | -11.8 | 0 | 0 | 0 | 112.2 | R327 T328 G334 L457 V458 A459 S463 S464 H702 | R327-D461 HydrophobicContact CG-CB 4.4Å; T328-D461 PolarHBondContact N-OD2 3.41Å; T328-D461 PolarHBondContact OG1-OD2 3.18Å; G334-D461 PolarHBondContact N-OD1 2.91Å; G334-D461 VanDerWaalsContact N-OD1 3.08Å; L457-D461 PolarHBondContact O-N 2.74Å; V458-D461 PolarHBondContact O-N 3.21Å; A459-D461 VanDerWaalsContact C-N 3.34Å; D461-S463 PolarHBondContact O-N 3.38Å; D461-S463 VanDerWaalsContact O-N 3.11Å; D461-S464 PolarHBondContact O-N 3.09Å; D461-S464 VanDerWaalsContact O-N 3.13Å; D461-S464 PolarHBondContact O-OG 3.35Å; D461-H702 IonicContact OD1-NE2 2.68Å |
| 462 | A | 79.8 | Confident | 82.5 | Confident | 12 Ų | 12 | 37.3 Ų | 37.3 | 10% | 0.099 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -64.6 | -16 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L457 T460 S464 L465 | L457-A462 HydrophobicContact CB-CB 4.06Å; L457-A462 HydrophobicContact CD2-CB 3.78Å; L457-A462 HydrophobicContact CG-CB 4.5Å; L457-A462 VanDerWaalsContact O-CB 3.32Å; L457-A462 WeakPolarHBondContact O-CB 3.42Å; L457-A462 PolarHBondContact O-N 2.93Å; T460-A462 PolarHBondContact O-N 2.74Å; A462-S464 PolarHBondContact O-N 2.94Å; A462-S464 VanDerWaalsContact O-N 3.16Å; A462-L465 VanDerWaalsContact O-CB 3.3Å; A462-L465 WeakPolarHBondContact O-CB 3.39Å; A462-L465 WeakPolarHBondContact O-CG 3.31Å; A462-L465 PolarHBondContact O-N 3.28Å |
| 463 | S | 73.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -64.4 | -13.5 | 174.3 | -35.8 | 0 | 0 | 0 | 0 | 112.6 | L325 D461 L465 V466 H702 | L325-S463 WeakPolarHBondContact CD2-O 3.42Å; D461-S463 PolarHBondContact O-N 3.38Å; D461-S463 VanDerWaalsContact O-N 3.11Å; S463-L465 PolarHBondContact O-N 2.75Å; S463-V466 WeakPolarHBondContact O-CB 3.5Å; S463-V466 WeakPolarHBondContact O-CG2 3.48Å; S463-V466 PolarHBondContact O-N 2.88Å; S463-V466 VanDerWaalsContact O-N 3.11Å; S463-H702 VanDerWaalsContact CB-NE2 3.33Å; S463-H702 WeakPolarHBondContact CB-NE2 3.36Å; S463-H702 PolarHBondContact OG-CD2 3.11Å; S463-H702 PolarHBondContact OG-NE2 2.87Å |
| 464 | S | 69.7 | Low | 81.2 | Confident | 26 Ų | 26 | 31.2 Ų | 31.2 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -63.3 | -21.3 | 170.2 | 75.9 | 0 | 0 | 0 | 0 | 112.6 | L325 D461 A462 V466 C467 | L325-S464 WeakPolarHBondContact O-CB 3.42Å; D461-S464 PolarHBondContact O-N 3.09Å; D461-S464 VanDerWaalsContact O-N 3.13Å; D461-S464 PolarHBondContact O-OG 3.35Å; A462-S464 PolarHBondContact O-N 2.94Å; A462-S464 VanDerWaalsContact O-N 3.16Å; S464-V466 PolarHBondContact O-N 3.16Å; S464-C467 WeakPolarHBondContact O-CB 3.44Å; S464-C467 PolarHBondContact O-N 3.46Å |
| 465 | L | 73.2 | Confident | 80.8 | Confident | 94 Ų | 94 | 31.5 Ų | 31.5 | 49% | 0.492 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -64 | -20.1 | 174.6 | -68.9 | 169.4 | 0 | 0 | 0 | 112.6 | A462 S463 C467 Y468 | A462-L465 VanDerWaalsContact O-CB 3.3Å; A462-L465 WeakPolarHBondContact O-CB 3.39Å; A462-L465 WeakPolarHBondContact O-CG 3.31Å; A462-L465 PolarHBondContact O-N 3.28Å; S463-L465 PolarHBondContact O-N 2.75Å; L465-C467 PolarHBondContact O-N 2.93Å; L465-Y468 HydrophobicContact CD2-CD2 4.13Å; L465-Y468 HydrophobicContact CD2-CE2 4.13Å; L465-Y468 WeakPolarHBondContact O-CB 3.22Å; L465-Y468 PolarHBondContact O-N 2.98Å; L465-Y468 VanDerWaalsContact O-N 3.07Å |
| 466 | V | 74.3 | Confident | 80.4 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -64.5 | -26 | 178.8 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | L325 S463 S464 Y468 I469 Q682 V686 Y701 | L325-V466 HydrophobicContact CD2-CB 4.08Å; L325-V466 HydrophobicContact CD2-CG1 4.47Å; S463-V466 WeakPolarHBondContact O-CB 3.5Å; S463-V466 WeakPolarHBondContact O-CG2 3.48Å; S463-V466 PolarHBondContact O-N 2.88Å; S463-V466 VanDerWaalsContact O-N 3.11Å; S464-V466 PolarHBondContact O-N 3.16Å; V466-Y468 PolarHBondContact O-N 2.89Å; V466-Y468 VanDerWaalsContact O-N 3.14Å; V466-I469 HydrophobicContact CG1-CD1 4.38Å; V466-I469 WeakPolarHBondContact O-CB 3.45Å; V466-I469 PolarHBondContact O-N 3.04Å; V466-Q682 HydrophobicContact CG2-CB 3.68Å; V466-Q682 HydrophobicContact CG2-CG 3.71Å; V466-V686 HydrophobicContact CG1-CG2 3.1Å; V466-Y701 HydrophobicContact CG1-CE1 4.44Å |
| 467 | C | 69.2 | Low | 79.9 | Confident | 32 Ų | 32 | 25 Ų | 25 | 22% | 0.216 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -58.7 | -23.6 | 171.9 | -73.5 | 0 | 0 | 0 | 0 | 114.1 | L325 S464 L465 I469 | L325-C467 WeakPolarHBondContact CB-SG 3.49Å; S464-C467 WeakPolarHBondContact O-CB 3.44Å; S464-C467 PolarHBondContact O-N 3.46Å; L465-C467 PolarHBondContact O-N 2.93Å; C467-I469 VanDerWaalsContact C-N 3.32Å |
| 468 | Y | 73.6 | Confident | 79.6 | Confident | 156 Ų | 156 | 23.3 Ų | 23.3 | 61% | 0.612 | 12% | 0.122 | S | C | * | . | G | 310 helix | trans | -83.2 | -11.5 | 178.3 | -62.5 | -64.7 | 0 | 0 | 0 | 112.9 | L465 V466 T470 V866 | L465-Y468 HydrophobicContact CD2-CD2 4.13Å; L465-Y468 HydrophobicContact CD2-CE2 4.13Å; L465-Y468 WeakPolarHBondContact O-CB 3.22Å; L465-Y468 PolarHBondContact O-N 2.98Å; L465-Y468 VanDerWaalsContact O-N 3.07Å; V466-Y468 PolarHBondContact O-N 2.89Å; V466-Y468 VanDerWaalsContact O-N 3.14Å; Y468-T470 PolarHBondContact O-N 3.11Å; Y468-V866 WeakPolarHBondContact O-CG1 2.98Å |
| 469 | I | 75.9 | Confident | 79.4 | Confident | 18 Ų | 18 | 23.3 Ų | 23.3 | 9% | 0.092 | 12% | 0.123 | C | C | . | . | trans | -76.8 | 103.8 | 173.2 | -58.1 | 178.5 | 0 | 0 | 0 | 106.9 | V466 C467 T473 I683 | V466-I469 HydrophobicContact CG1-CD1 4.38Å; V466-I469 WeakPolarHBondContact O-CB 3.45Å; V466-I469 PolarHBondContact O-N 3.04Å; C467-I469 VanDerWaalsContact C-N 3.32Å; I469-T473 WeakPolarHBondContact CG2-OG1 3.47Å; I469-I683 HydrophobicContact CD1-CG1 3.95Å | ||
| 470 | T | 77.1 | Confident | 79.2 | Confident | 22 Ų | 22 | 23 Ų | 23 | 14% | 0.135 | 12% | 0.12 | C | C | . | . | trans | -87.6 | 165.6 | 174.6 | 69.8 | 0 | 0 | 0 | 0 | 111 | Y468 F472 T473 E474 R869 | Y468-T470 PolarHBondContact O-N 3.11Å; T470-F472 PolarHBondContact O-N 2.88Å; T470-F472 VanDerWaalsContact O-N 3.16Å; T470-T473 PolarHBondContact N-OG1 3.31Å; T470-T473 PolarHBondContact O-N 3.44Å; T470-T473 PolarHBondContact O-OG1 2.7Å; T470-E474 PolarHBondContact O-N 3.27Å; T470-R869 HydrophobicContact CG2-CG 4.24Å; T470-R869 WeakPolarHBondContact OG1-CG 3.4Å | ||
| 471 | R | 77.8 | Confident | 79 | Confident | 15 Ų | 15 | 21.3 Ų | 21.3 | 6% | 0.057 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -50.5 | -38.1 | 174.7 | -170.5 | -179.7 | -176.8 | 162.7 | 10.3 | 114 | T473 E474 E475 E692 Q803 D885 | R471-T473 VanDerWaalsContact C-N 3.33Å; R471-T473 PolarHBondContact O-N 3.03Å; R471-E474 PolarHBondContact O-N 3.43Å; R471-E475 HydrophobicContact CG-CG 3.99Å; R471-E475 IonicContact CZ-OE1 3Å; R471-E475 VanDerWaalsContact CZ-OE1 3.25Å; R471-E475 IonicContact NE-OE1 3.78Å; R471-E475 PolarHBondContact NE-OE1 3.27Å; R471-E475 IonicContact NH2-OE1 2.72Å; R471-E475 PolarHBondContact NH2-OE1 2.89Å; R471-E475 WeakPolarHBondContact O-CB 3.43Å; R471-E475 WeakPolarHBondContact O-CG 3.37Å; R471-E475 PolarHBondContact O-N 2.99Å; R471-E692 IonicContact NH2-OE1 2.8Å; R471-Q803 VanDerWaalsContact NH1-NE2 3.1Å; R471-D885 WeakPolarHBondContact CB-O 3.41Å; R471-D885 WeakPolarHBondContact CD-O 3.46Å |
| 472 | F | 83.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -51.8 | -51.8 | 174.1 | 177.3 | -101.5 | 0 | 0 | 0 | 112.3 | T470 A476 F835 I838 Q839 R869 M872 D885 | T470-F472 PolarHBondContact O-N 2.88Å; T470-F472 VanDerWaalsContact O-N 3.16Å; F472-A476 VanDerWaalsContact O-CB 3.25Å; F472-A476 WeakPolarHBondContact O-CB 3.3Å; F472-A476 PolarHBondContact O-N 2.96Å; F472-A476 VanDerWaalsContact O-N 3.1Å; F472-F835 HydrophobicContact CB-CZ 4.36Å; F472-F835 AromaticContact CD2-CE1 3.69Å; F472-F835 HydrophobicContact CD2-CE1 3.69Å; F472-F835 HydrophobicContact CD2-CE2 4.12Å; F472-F835 AromaticContact CD2-CZ 3.38Å; F472-F835 HydrophobicContact CD2-CZ 3.38Å; F472-F835 HydrophobicContact CE2-CE1 4.12Å; F472-F835 HydrophobicContact CE2-CZ 4.05Å; F472-F835 HydrophobicContact CG-CZ 4.3Å; F472-I838 HydrophobicContact CZ-CG2 4.45Å; F472-Q839 HydrophobicContact CD2-CB 4.27Å; F472-Q839 HydrophobicContact CD2-CG 3.98Å; F472-Q839 HydrophobicContact CE2-CB 3.49Å; F472-Q839 VanDerWaalsContact CE2-CB 3.49Å; F472-Q839 HydrophobicContact CE2-CG 3.57Å; F472-Q839 HydrophobicContact CZ-CB 4.05Å; F472-Q839 HydrophobicContact CZ-CG 4.07Å; F472-Q839 PolarHBondContact O-NE2 3.38Å; F472-R869 HydrophobicContact CD1-CB 4.07Å; F472-R869 HydrophobicContact CD1-CG 4.42Å; F472-M872 HydrophobicContact CD2-CE 4.17Å; F472-M872 HydrophobicContact CE2-CE 4.21Å; F472-M872 HydrophobicContact CG-CE 4.43Å; F472-D885 WeakPolarHBondContact CB-OD1 3.42Å; F472-D885 PolarHBondContact N-OD1 3.4Å |
| 473 | T | 80.9 | Confident | 79.5 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 3% | 0.025 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -71.4 | -38.5 | -177.1 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | I469 T470 R471 F477 L865 V866 R869 | I469-T473 WeakPolarHBondContact CG2-OG1 3.47Å; T470-T473 PolarHBondContact N-OG1 3.31Å; T470-T473 PolarHBondContact O-N 3.44Å; T470-T473 PolarHBondContact O-OG1 2.7Å; R471-T473 VanDerWaalsContact C-N 3.33Å; R471-T473 PolarHBondContact O-N 3.03Å; T473-F477 WeakPolarHBondContact O-CB 3.24Å; T473-F477 PolarHBondContact O-N 3.43Å; T473-L865 HydrophobicContact CG2-CB 3.94Å; T473-V866 HydrophobicContact CG2-CG2 4.05Å; T473-R869 HydrophobicContact CG2-CB 4.34Å |
| 474 | E | 78.9 | Confident | 80 | Confident | 18 Ų | 18 | 24 Ų | 24 | 8% | 0.084 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.8 | -51.9 | 177.3 | -171.9 | -163.8 | 145.6 | 0 | 0 | 111.8 | T470 R471 A476 F477 A478 I687 | T470-E474 PolarHBondContact O-N 3.27Å; R471-E474 PolarHBondContact O-N 3.43Å; E474-A476 PolarHBondContact O-N 2.78Å; E474-F477 PolarHBondContact O-N 3.5Å; E474-A478 WeakPolarHBondContact O-CB 3.4Å; E474-A478 PolarHBondContact O-N 2.88Å; E474-I687 HydrophobicContact CG-CD1 4.17Å; E474-I687 HydrophobicContact CG-CG1 3.34Å; E474-I687 VanDerWaalsContact OE1-CA 3.3Å; E474-I687 WeakPolarHBondContact OE1-CA 3.4Å; E474-I687 WeakPolarHBondContact OE1-CG1 3.48Å |
| 475 | E | 83.7 | Confident | 80.6 | Confident | 5 Ų | 5 | 24.6 Ų | 24.6 | 2% | 0.023 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.9 | -36.1 | -179.1 | -70.5 | -168.8 | 168 | 0 | 0 | 112 | R471 F477 S479 I802 Q803 F804 R807 | R471-E475 HydrophobicContact CG-CG 3.99Å; R471-E475 IonicContact CZ-OE1 3Å; R471-E475 VanDerWaalsContact CZ-OE1 3.25Å; R471-E475 IonicContact NE-OE1 3.78Å; R471-E475 PolarHBondContact NE-OE1 3.27Å; R471-E475 IonicContact NH2-OE1 2.72Å; R471-E475 PolarHBondContact NH2-OE1 2.89Å; R471-E475 WeakPolarHBondContact O-CB 3.43Å; R471-E475 WeakPolarHBondContact O-CG 3.37Å; R471-E475 PolarHBondContact O-N 2.99Å; E475-F477 VanDerWaalsContact C-N 3.34Å; E475-S479 VanDerWaalsContact O-CB 3.26Å; E475-S479 WeakPolarHBondContact O-CB 3.31Å; E475-S479 PolarHBondContact O-N 2.61Å; E475-S479 PolarHBondContact O-OG 3.48Å; E475-I802 HydrophobicContact CB-CG2 3.8Å; E475-I802 HydrophobicContact CG-CG2 3.89Å; E475-Q803 WeakPolarHBondContact OE1-CB 3.42Å; E475-Q803 PolarHBondContact OE1-N 2.82Å; E475-F804 HydrophobicContact CB-CB 4.21Å; E475-F804 PolarHBondContact OE2-N 3.46Å; E475-R807 IonicContact OE2-CZ 2.69Å; E475-R807 IonicContact OE2-NH2 3.01Å; E475-R807 PolarHBondContact OE2-NH2 3.21Å |
| 476 | A | 84.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.7 | -42.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F472 E474 S479 L480 Q839 L865 | F472-A476 VanDerWaalsContact O-CB 3.25Å; F472-A476 WeakPolarHBondContact O-CB 3.3Å; F472-A476 PolarHBondContact O-N 2.96Å; F472-A476 VanDerWaalsContact O-N 3.1Å; E474-A476 PolarHBondContact O-N 2.78Å; A476-S479 WeakPolarHBondContact CA-OG 3.42Å; A476-S479 PolarHBondContact O-OG 3.42Å; A476-L480 VanDerWaalsContact O-CB 3.3Å; A476-L480 WeakPolarHBondContact O-CB 3.24Å; A476-L480 PolarHBondContact O-N 3.45Å; A476-Q839 HydrophobicContact CB-CG 4.19Å; A476-L865 HydrophobicContact CB-CD1 4.4Å |
| 477 | F | 82.9 | Confident | 82.1 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.8 | -47.2 | 176.9 | -174.5 | -100.6 | 0 | 0 | 0 | 112 | T473 E474 E475 S479 L480 I481 I683 T727 F858 V862 | T473-F477 WeakPolarHBondContact O-CB 3.24Å; T473-F477 PolarHBondContact O-N 3.43Å; E474-F477 PolarHBondContact O-N 3.5Å; E475-F477 VanDerWaalsContact C-N 3.34Å; F477-S479 PolarHBondContact O-N 3.37Å; F477-L480 WeakPolarHBondContact O-CB 3.39Å; F477-L480 PolarHBondContact O-N 3.08Å; F477-I481 HydrophobicContact CD1-CG1 4.22Å; F477-I481 HydrophobicContact CE1-CD1 4.41Å; F477-I481 HydrophobicContact CE1-CG1 3.91Å; F477-I481 HydrophobicContact CE2-CD1 4.37Å; F477-I481 HydrophobicContact CE2-CG1 4.47Å; F477-I481 HydrophobicContact CZ-CD1 4.06Å; F477-I481 HydrophobicContact CZ-CG1 4.06Å; F477-I481 WeakPolarHBondContact O-CG1 3.49Å; F477-I481 PolarHBondContact O-N 3.1Å; F477-I683 HydrophobicContact CB-CG2 4.38Å; F477-I683 HydrophobicContact CD1-CB 4.33Å; F477-I683 HydrophobicContact CD1-CD1 4.32Å; F477-I683 HydrophobicContact CD1-CG2 3.41Å; F477-I683 VanDerWaalsContact CD1-CG2 3.41Å; F477-I683 HydrophobicContact CD2-CD1 4.31Å; F477-I683 HydrophobicContact CE1-CB 4.36Å; F477-I683 HydrophobicContact CE1-CD1 4.37Å; F477-I683 HydrophobicContact CE1-CG2 3.86Å; F477-I683 HydrophobicContact CE2-CD1 4.37Å; F477-I683 HydrophobicContact CG-CD1 4.26Å; F477-I683 HydrophobicContact CG-CG2 4.06Å; F477-I683 HydrophobicContact CZ-CD1 4.39Å; F477-T727 HydrophobicContact CE1-CG2 3.98Å; F477-F858 HydrophobicContact CD2-CZ 4.41Å; F477-F858 AromaticContact CE2-CE1 3.79Å; F477-F858 HydrophobicContact CE2-CE1 3.79Å; F477-F858 AromaticContact CE2-CZ 3.83Å; F477-F858 HydrophobicContact CE2-CZ 3.83Å; F477-V862 HydrophobicContact CD2-CG2 4.07Å; F477-V862 HydrophobicContact CE2-CG2 4.23Å |
| 478 | A | 82.3 | Confident | 82.6 | Confident | 8 Ų | 8 | 27.4 Ų | 27.4 | 7% | 0.066 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E474 I481 C482 I687 I802 | E474-A478 WeakPolarHBondContact O-CB 3.4Å; E474-A478 PolarHBondContact O-N 2.88Å; A478-I481 PolarHBondContact O-N 2.97Å; A478-C482 PolarHBondContact O-N 3.24Å; A478-C482 PolarHBondContact O-SG 3.17Å; A478-I687 HydrophobicContact CB-CD1 4.24Å; A478-I802 HydrophobicContact CB-CD1 3.99Å |
| 479 | S | 85.8 | Confident | 83.2 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.007 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 176.9 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | E475 A476 F477 I481 C482 I483 L843 | E475-S479 VanDerWaalsContact O-CB 3.26Å; E475-S479 WeakPolarHBondContact O-CB 3.31Å; E475-S479 PolarHBondContact O-N 2.61Å; E475-S479 PolarHBondContact O-OG 3.48Å; A476-S479 WeakPolarHBondContact CA-OG 3.42Å; A476-S479 PolarHBondContact O-OG 3.42Å; F477-S479 PolarHBondContact O-N 3.37Å; S479-I481 PolarHBondContact O-N 3.32Å; S479-C482 PolarHBondContact O-N 3.24Å; S479-I483 VanDerWaalsContact O-CG1 3.26Å; S479-I483 WeakPolarHBondContact O-CG1 3.36Å; S479-I483 PolarHBondContact O-N 3.45Å; S479-L843 WeakPolarHBondContact OG-CD1 3.31Å |
| 480 | L | 85.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.8 | -50.3 | 174.1 | 178.6 | 70.1 | 0 | 0 | 0 | 111.3 | A476 F477 C482 I483 I484 L843 L846 W847 F858 | A476-L480 VanDerWaalsContact O-CB 3.3Å; A476-L480 WeakPolarHBondContact O-CB 3.24Å; A476-L480 PolarHBondContact O-N 3.45Å; F477-L480 WeakPolarHBondContact O-CB 3.39Å; F477-L480 PolarHBondContact O-N 3.08Å; L480-C482 VanDerWaalsContact C-N 3.32Å; L480-C482 PolarHBondContact O-N 3.14Å; L480-I483 PolarHBondContact O-N 3.12Å; L480-I484 HydrophobicContact CD1-CD1 4.21Å; L480-I484 HydrophobicContact CD2-CD1 4.43Å; L480-I484 HydrophobicContact CG-CD1 3.81Å; L480-I484 WeakPolarHBondContact O-CB 3.25Å; L480-I484 WeakPolarHBondContact O-CD1 3.32Å; L480-I484 WeakPolarHBondContact O-CG1 3.15Å; L480-I484 PolarHBondContact O-N 2.66Å; L480-L843 HydrophobicContact CB-CD1 4.17Å; L480-L843 HydrophobicContact CB-CG 4.48Å; L480-L843 HydrophobicContact CD1-CG 4.4Å; L480-L846 HydrophobicContact CD1-CB 4.41Å; L480-L846 HydrophobicContact CD2-CB 3.82Å; L480-L846 HydrophobicContact CD2-CD1 4.14Å; L480-L846 HydrophobicContact CD2-CG 4.49Å; L480-W847 HydrophobicContact CD1-CB 4.32Å; L480-W847 HydrophobicContact CD1-CE3 3.88Å; L480-F858 HydrophobicContact CD2-CE2 3.7Å; L480-F858 HydrophobicContact CD2-CZ 3.83Å |
| 481 | I | 84.4 | Confident | 84.3 | Confident | 23 Ų | 23 | 26 Ų | 26 | 12% | 0.118 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.3 | -40 | 178.9 | -58.6 | -65.5 | 0 | 0 | 0 | 111.2 | F477 A478 S479 I483 I484 F485 V728 | F477-I481 HydrophobicContact CD1-CG1 4.22Å; F477-I481 HydrophobicContact CE1-CD1 4.41Å; F477-I481 HydrophobicContact CE1-CG1 3.91Å; F477-I481 HydrophobicContact CE2-CD1 4.37Å; F477-I481 HydrophobicContact CE2-CG1 4.47Å; F477-I481 HydrophobicContact CZ-CD1 4.06Å; F477-I481 HydrophobicContact CZ-CG1 4.06Å; F477-I481 WeakPolarHBondContact O-CG1 3.49Å; F477-I481 PolarHBondContact O-N 3.1Å; A478-I481 PolarHBondContact O-N 2.97Å; S479-I481 PolarHBondContact O-N 3.32Å; I481-I483 PolarHBondContact O-N 3.08Å; I481-I484 HydrophobicContact CD1-CD1 4.2Å; I481-I484 WeakPolarHBondContact O-CB 3.29Å; I481-I484 PolarHBondContact O-N 3.31Å; I481-F485 HydrophobicContact CG2-CD2 3.83Å; I481-F485 HydrophobicContact CG2-CE2 3.9Å; I481-F485 WeakPolarHBondContact O-CD2 3.34Å; I481-F485 PolarHBondContact O-N 3.26Å; I481-V728 HydrophobicContact CG2-CG2 3.68Å |
| 482 | C | 84.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.9 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | A478 S479 L480 I484 F485 I486 S798 L799 | A478-C482 PolarHBondContact O-N 3.24Å; A478-C482 PolarHBondContact O-SG 3.17Å; S479-C482 PolarHBondContact O-N 3.24Å; L480-C482 VanDerWaalsContact C-N 3.32Å; L480-C482 PolarHBondContact O-N 3.14Å; C482-I484 VanDerWaalsContact C-N 3.3Å; C482-I484 PolarHBondContact O-N 3.26Å; C482-F485 PolarHBondContact O-N 3.04Å; C482-I486 WeakPolarHBondContact O-CG1 3.35Å; C482-I486 PolarHBondContact O-N 3.08Å; C482-S798 PolarHBondContact SG-OG 2.86Å; C482-L799 HydrophobicContact CB-CD1 4.4Å; C482-L799 HydrophobicContact CB-CD2 3.93Å; C482-L799 HydrophobicContact CB-CG 3.8Å |
| 483 | I | 87.4 | Confident | 84.7 | Confident | 59 Ų | 59 | 27.8 Ų | 27.8 | 30% | 0.303 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 176.9 | -65.1 | 165.2 | 0 | 0 | 0 | 110.5 | S479 L480 I481 F485 I486 Y487 L843 W847 | S479-I483 VanDerWaalsContact O-CG1 3.26Å; S479-I483 WeakPolarHBondContact O-CG1 3.36Å; S479-I483 PolarHBondContact O-N 3.45Å; L480-I483 PolarHBondContact O-N 3.12Å; I481-I483 PolarHBondContact O-N 3.08Å; I483-F485 PolarHBondContact O-N 3.44Å; I483-I486 PolarHBondContact O-N 3.39Å; I483-Y487 WeakPolarHBondContact O-CB 3.41Å; I483-Y487 PolarHBondContact O-N 3.31Å; I483-L843 HydrophobicContact CD1-CD1 4.38Å; I483-L843 HydrophobicContact CD1-CD2 3.94Å; I483-W847 HydrophobicContact CB-CZ3 4.21Å; I483-W847 HydrophobicContact CG2-CE3 4.14Å; I483-W847 HydrophobicContact CG2-CH2 4.04Å; I483-W847 HydrophobicContact CG2-CZ3 3.55Å |
| 484 | I | 84.8 | Confident | 85 | Confident | 13 Ų | 13 | 33.6 Ų | 33.6 | 7% | 0.067 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 175.1 | -72.4 | 165.8 | 0 | 0 | 0 | 111 | L480 I481 C482 Y487 E488 W847 K850 | L480-I484 HydrophobicContact CD1-CD1 4.21Å; L480-I484 HydrophobicContact CD2-CD1 4.43Å; L480-I484 HydrophobicContact CG-CD1 3.81Å; L480-I484 WeakPolarHBondContact O-CB 3.25Å; L480-I484 WeakPolarHBondContact O-CD1 3.32Å; L480-I484 WeakPolarHBondContact O-CG1 3.15Å; L480-I484 PolarHBondContact O-N 2.66Å; I481-I484 HydrophobicContact CD1-CD1 4.2Å; I481-I484 WeakPolarHBondContact O-CB 3.29Å; I481-I484 PolarHBondContact O-N 3.31Å; C482-I484 VanDerWaalsContact C-N 3.3Å; C482-I484 PolarHBondContact O-N 3.26Å; I484-Y487 PolarHBondContact O-N 3.12Å; I484-E488 WeakPolarHBondContact O-CB 3.16Å; I484-E488 PolarHBondContact O-N 3.25Å; I484-W847 HydrophobicContact CB-CZ3 4.26Å; I484-W847 HydrophobicContact CG1-CE3 4.03Å; I484-W847 HydrophobicContact CG1-CH2 4.25Å; I484-W847 HydrophobicContact CG1-CZ3 3.44Å; I484-W847 VanDerWaalsContact CG1-CZ3 3.44Å; I484-K850 HydrophobicContact CD1-CD 3.34Å; I484-K850 VanDerWaalsContact CD1-CE 3.48Å; I484-K850 VanDerWaalsContact CD1-NZ 3.34Å; I484-K850 HydrophobicContact CG1-CD 3.86Å |
| 485 | F | 82.6 | Confident | 85.2 | Confident | 39 Ų | 39 | 38 Ų | 38 | 17% | 0.171 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 179.9 | -97.2 | -102.3 | 0 | 0 | 0 | 112.1 | I481 C482 I483 E488 A489 V728 | I481-F485 HydrophobicContact CG2-CD2 3.83Å; I481-F485 HydrophobicContact CG2-CE2 3.9Å; I481-F485 WeakPolarHBondContact O-CD2 3.34Å; I481-F485 PolarHBondContact O-N 3.26Å; C482-F485 PolarHBondContact O-N 3.04Å; I483-F485 PolarHBondContact O-N 3.44Å; F485-E488 PolarHBondContact O-N 3.33Å; F485-A489 WeakPolarHBondContact O-CB 3.43Å; F485-A489 PolarHBondContact O-N 2.84Å; F485-V728 HydrophobicContact CD2-CG2 4Å; F485-V728 HydrophobicContact CE2-CB 4.48Å; F485-V728 HydrophobicContact CE2-CG2 4.11Å; F485-V728 HydrophobicContact CG-CG2 4.4Å |
| 486 | I | 88.8 | Confident | 85.2 | Confident | 37 Ų | 37 | 38.4 Ų | 38.4 | 19% | 0.19 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 175.4 | -70.7 | 169.2 | 0 | 0 | 0 | 110.5 | C482 I483 A489 L490 L792 L799 | C482-I486 WeakPolarHBondContact O-CG1 3.35Å; C482-I486 PolarHBondContact O-N 3.08Å; I483-I486 PolarHBondContact O-N 3.39Å; I486-A489 PolarHBondContact O-N 3.15Å; I486-L490 HydrophobicContact CG2-CD1 4.19Å; I486-L490 WeakPolarHBondContact O-CG 3.31Å; I486-L490 PolarHBondContact O-N 3.4Å; I486-L490 VanDerWaalsContact O-N 3.15Å; I486-L792 HydrophobicContact CB-CD1 4.25Å; I486-L792 HydrophobicContact CG1-CD1 4.22Å; I486-L792 HydrophobicContact CG2-CD1 3.76Å; I486-L799 HydrophobicContact CD1-CD1 3.4Å |
| 487 | Y | 88.4 | Confident | 85 | Confident | 113 Ų | 113 | 39.4 Ų | 39.4 | 44% | 0.443 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 178 | 175.7 | -95.4 | 0 | 0 | 0 | 112 | I483 I484 A489 L490 E491 W847 | I483-Y487 WeakPolarHBondContact O-CB 3.41Å; I483-Y487 PolarHBondContact O-N 3.31Å; I484-Y487 PolarHBondContact O-N 3.12Å; Y487-A489 VanDerWaalsContact C-N 3.33Å; Y487-A489 PolarHBondContact O-N 2.94Å; Y487-L490 PolarHBondContact O-N 2.95Å; Y487-E491 HydrophobicContact CE1-CB 4.4Å; Y487-E491 VanDerWaalsContact CE1-OE2 3.28Å; Y487-E491 WeakPolarHBondContact CE1-OE2 3.35Å; Y487-E491 WeakPolarHBondContact O-CB 3.11Å; Y487-E491 PolarHBondContact O-N 3.32Å; Y487-W847 HydrophobicContact CD1-CH2 4.11Å; Y487-W847 HydrophobicContact CD1-CZ2 4.17Å; Y487-W847 HydrophobicContact CD2-CH2 4.31Å; Y487-W847 HydrophobicContact CD2-CZ2 4.05Å; Y487-W847 AromaticContact CG-CH2 3.75Å; Y487-W847 HydrophobicContact CG-CH2 3.75Å; Y487-W847 AromaticContact CG-CZ2 3.87Å; Y487-W847 HydrophobicContact CG-CZ2 3.87Å |
| 488 | E | 81.7 | Confident | 85 | Confident | 39 Ų | 39 | 46.5 Ų | 46.5 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -37.5 | -179.5 | -170.7 | -178.1 | 154.6 | 0 | 0 | 112 | I484 F485 L490 E491 K492 | I484-E488 WeakPolarHBondContact O-CB 3.16Å; I484-E488 PolarHBondContact O-N 3.25Å; F485-E488 PolarHBondContact O-N 3.33Å; E488-L490 VanDerWaalsContact C-N 3.35Å; E488-E491 PolarHBondContact O-N 3.01Å; E488-K492 HydrophobicContact CG-CD 4.27Å; E488-K492 WeakPolarHBondContact O-CB 3.46Å; E488-K492 WeakPolarHBondContact O-CG 3.06Å; E488-K492 PolarHBondContact O-N 3.05Å; E488-K492 WeakPolarHBondContact OE1-CE 3.26Å; E488-K492 IonicContact OE1-NZ 3.14Å; E488-K492 PolarHBondContact OE1-NZ 3.46Å |
| 489 | A | 85.1 | Confident | 84.7 | Confident | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | F485 I486 Y487 L493 F791 L792 | F485-A489 WeakPolarHBondContact O-CB 3.43Å; F485-A489 PolarHBondContact O-N 2.84Å; I486-A489 PolarHBondContact O-N 3.15Å; Y487-A489 VanDerWaalsContact C-N 3.33Å; Y487-A489 PolarHBondContact O-N 2.94Å; A489-L493 PolarHBondContact O-N 3.43Å; A489-F791 HydrophobicContact CB-CB 4.18Å; A489-L792 HydrophobicContact CB-CB 4.25Å |
| 490 | L | 90.1 | Very high | 84.5 | Confident | 68 Ų | 68 | 54 Ų | 54 | 36% | 0.356 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.5 | -41.9 | 176.3 | -68.6 | 172 | 0 | 0 | 0 | 112.1 | I486 Y487 E488 K492 L493 L494 F582 L792 | I486-L490 HydrophobicContact CG2-CD1 4.19Å; I486-L490 WeakPolarHBondContact O-CG 3.31Å; I486-L490 PolarHBondContact O-N 3.4Å; I486-L490 VanDerWaalsContact O-N 3.15Å; Y487-L490 PolarHBondContact O-N 2.95Å; E488-L490 VanDerWaalsContact C-N 3.35Å; L490-K492 VanDerWaalsContact C-N 3.34Å; L490-K492 PolarHBondContact O-N 2.96Å; L490-L493 WeakPolarHBondContact O-CB 3.18Å; L490-L493 PolarHBondContact O-N 3.23Å; L490-L493 VanDerWaalsContact O-N 3.16Å; L490-L494 WeakPolarHBondContact O-CG 2.94Å; L490-L494 PolarHBondContact O-N 3.33Å; L490-F582 HydrophobicContact CD2-CE1 4.36Å; L490-F582 HydrophobicContact CD2-CZ 4.28Å; L490-L792 HydrophobicContact CG-CD1 4.47Å |
| 491 | E | 86.6 | Confident | 84.1 | Confident | 98 Ų | 98 | 56.3 Ų | 56.3 | 46% | 0.458 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 176.8 | -175 | -179.4 | -168.8 | 0 | 0 | 111.1 | Y487 E488 L493 L494 H495 | Y487-E491 HydrophobicContact CE1-CB 4.4Å; Y487-E491 VanDerWaalsContact CE1-OE2 3.28Å; Y487-E491 WeakPolarHBondContact CE1-OE2 3.35Å; Y487-E491 WeakPolarHBondContact O-CB 3.11Å; Y487-E491 PolarHBondContact O-N 3.32Å; E488-E491 PolarHBondContact O-N 3.01Å; E491-L493 VanDerWaalsContact C-N 3.32Å; E491-L493 PolarHBondContact O-N 2.88Å; E491-L494 PolarHBondContact O-N 2.99Å; E491-H495 WeakPolarHBondContact O-CB 3.46Å; E491-H495 PolarHBondContact O-N 2.94Å |
| 492 | K | 82.4 | Confident | 83.6 | Confident | 34 Ų | 34 | 60.3 Ų | 60.3 | 15% | 0.148 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.4 | -34.9 | 175.4 | -77 | 171.6 | 169.7 | 166.5 | 0 | 113 | E488 L490 L496 Y788 | E488-K492 HydrophobicContact CG-CD 4.27Å; E488-K492 WeakPolarHBondContact O-CB 3.46Å; E488-K492 WeakPolarHBondContact O-CG 3.06Å; E488-K492 PolarHBondContact O-N 3.05Å; E488-K492 WeakPolarHBondContact OE1-CE 3.26Å; E488-K492 IonicContact OE1-NZ 3.14Å; E488-K492 PolarHBondContact OE1-NZ 3.46Å; L490-K492 VanDerWaalsContact C-N 3.34Å; L490-K492 PolarHBondContact O-N 2.96Å; K492-L496 PolarHBondContact O-N 3.1Å; K492-Y788 HydrophobicContact CB-CD2 4.08Å; K492-Y788 HydrophobicContact CB-CE1 4.3Å; K492-Y788 HydrophobicContact CB-CE2 3.81Å; K492-Y788 HydrophobicContact CB-CG 4.43Å; K492-Y788 HydrophobicContact CD-CD1 4.18Å; K492-Y788 HydrophobicContact CD-CE1 3.72Å |
| 493 | L | 86.6 | Confident | 83.1 | Confident | 17 Ų | 17 | 62 Ų | 62 | 9% | 0.089 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 173.4 | -177.6 | 67.2 | 0 | 0 | 0 | 111.4 | A489 L490 E491 L496 G497 V579 F582 | A489-L493 PolarHBondContact O-N 3.43Å; L490-L493 WeakPolarHBondContact O-CB 3.18Å; L490-L493 PolarHBondContact O-N 3.23Å; L490-L493 VanDerWaalsContact O-N 3.16Å; E491-L493 VanDerWaalsContact C-N 3.32Å; E491-L493 PolarHBondContact O-N 2.88Å; L493-L496 WeakPolarHBondContact O-CB 3.38Å; L493-L496 PolarHBondContact O-N 3.48Å; L493-G497 PolarHBondContact O-N 3.33Å; L493-V579 HydrophobicContact CD1-CG2 4.2Å; L493-F582 HydrophobicContact CD1-CB 4.26Å; L493-F582 HydrophobicContact CD1-CD2 4.49Å; L493-F582 HydrophobicContact CD1-CG 4.3Å; L493-F582 HydrophobicContact CD2-CD1 3.69Å; L493-F582 HydrophobicContact CD2-CD2 4.39Å; L493-F582 HydrophobicContact CD2-CE1 3.88Å; L493-F582 HydrophobicContact CD2-CG 3.97Å; L493-F582 HydrophobicContact CD2-CZ 4.3Å |
| 494 | L | 87.6 | Confident | 82.2 | Confident | 126 Ų | 126 | 66.8 Ų | 66.8 | 66% | 0.66 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.3 | -43.3 | 176.7 | -69.6 | 173.6 | 0 | 0 | 0 | 111.8 | L490 E491 L496 G497 E498 | L490-L494 WeakPolarHBondContact O-CG 2.94Å; L490-L494 PolarHBondContact O-N 3.33Å; E491-L494 PolarHBondContact O-N 2.99Å; L494-L496 PolarHBondContact O-N 3.32Å; L494-G497 VanDerWaalsContact O-CA 3.31Å; L494-G497 WeakPolarHBondContact O-CA 3.34Å; L494-G497 PolarHBondContact O-N 2.84Å; L494-E498 PolarHBondContact O-N 3.37Å; L494-E498 VanDerWaalsContact O-N 3.13Å |
| 495 | H | 83.8 | Confident | 81.3 | Confident | 110 Ų | 110 | 73 Ų | 73 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.7 | -33.8 | 174.7 | -174.8 | -95.3 | 0 | 0 | 0 | 111.9 | E491 G497 E498 L499 | E491-H495 WeakPolarHBondContact O-CB 3.46Å; E491-H495 PolarHBondContact O-N 2.94Å; H495-G497 VanDerWaalsContact C-N 3.3Å; H495-G497 PolarHBondContact O-N 3.49Å; H495-E498 PolarHBondContact O-N 3.43Å; H495-L499 WeakPolarHBondContact CE1-CD1 3.41Å; H495-L499 PolarHBondContact O-N 2.99Å |
| 496 | L | 82.3 | Confident | 80.4 | Confident | 15 Ų | 15 | 75.6 Ų | 75.6 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.4 | -31.6 | 172.8 | -167.7 | 64.7 | 0 | 0 | 0 | 112.6 | K492 L493 L494 E498 L499 Y500 C578 P633 P785 | K492-L496 PolarHBondContact O-N 3.1Å; L493-L496 WeakPolarHBondContact O-CB 3.38Å; L493-L496 PolarHBondContact O-N 3.48Å; L494-L496 PolarHBondContact O-N 3.32Å; L496-E498 VanDerWaalsContact C-N 3.32Å; L496-L499 PolarHBondContact O-N 3.47Å; L496-Y500 HydrophobicContact CD1-CD2 3.48Å; L496-Y500 VanDerWaalsContact CD1-CD2 3.48Å; L496-Y500 HydrophobicContact CD1-CE2 3.45Å; L496-Y500 VanDerWaalsContact CD1-CE2 3.45Å; L496-Y500 HydrophobicContact CG-CD2 4.04Å; L496-Y500 HydrophobicContact CG-CE2 4.44Å; L496-Y500 PolarHBondContact O-N 3.29Å; L496-C578 HydrophobicContact CD2-CB 3.6Å; L496-C578 VanDerWaalsContact CD2-SG 3.59Å; L496-P633 HydrophobicContact CD1-CB 4.42Å; L496-P633 HydrophobicContact CD1-CG 3.86Å; L496-P633 HydrophobicContact CD2-CG 3.98Å; L496-P785 HydrophobicContact CD2-CG 4.08Å |
| 497 | G | 81.4 | Confident | 79.1 | Confident | 21 Ų | 21 | 78.8 Ų | 78.8 | 22% | 0.216 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.6 | -28.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L493 L494 H495 Y500 L575 | L493-G497 PolarHBondContact O-N 3.33Å; L494-G497 VanDerWaalsContact O-CA 3.31Å; L494-G497 WeakPolarHBondContact O-CA 3.34Å; L494-G497 PolarHBondContact O-N 2.84Å; H495-G497 VanDerWaalsContact C-N 3.3Å; H495-G497 PolarHBondContact O-N 3.49Å; G497-Y500 CarbonylContact O-C 3.54Å; G497-L575 VanDerWaalsContact CA-CD1 3.45Å |
| 498 | E | 82.1 | Confident | 77.8 | Confident | 152 Ų | 152 | 80.1 Ų | 80.1 | 71% | 0.71 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -77.9 | -37.4 | 172.3 | -63.8 | -176.8 | 171.3 | 0 | 0 | 112 | L494 H495 L496 | L494-E498 PolarHBondContact O-N 3.37Å; L494-E498 VanDerWaalsContact O-N 3.13Å; H495-E498 PolarHBondContact O-N 3.43Å; L496-E498 VanDerWaalsContact C-N 3.32Å |
| 499 | L | 76.9 | Confident | 77 | Confident | 102 Ų | 102 | 85.8 Ų | 85.8 | 53% | 0.534 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.3 | -36.6 | 176.4 | -107.3 | 142.8 | 0 | 0 | 0 | 113.3 | H495 L496 P501 | H495-L499 WeakPolarHBondContact CE1-CD1 3.41Å; H495-L499 PolarHBondContact O-N 2.99Å; L496-L499 PolarHBondContact O-N 3.47Å; L499-P501 VanDerWaalsContact C-CD 3.41Å; L499-P501 WeakPolarHBondContact O-CD 3.5Å |
| 500 | Y | 80.4 | Confident | 76 | Confident | 66 Ų | 66 | 92 Ų | 92 | 26% | 0.259 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -119.9 | 71.4 | 178.3 | -61.1 | -78.4 | 0 | 0 | 0 | 110 | L496 G497 V571 V574 | L496-Y500 HydrophobicContact CD1-CD2 3.48Å; L496-Y500 VanDerWaalsContact CD1-CD2 3.48Å; L496-Y500 HydrophobicContact CD1-CE2 3.45Å; L496-Y500 VanDerWaalsContact CD1-CE2 3.45Å; L496-Y500 HydrophobicContact CG-CD2 4.04Å; L496-Y500 HydrophobicContact CG-CE2 4.44Å; L496-Y500 PolarHBondContact O-N 3.29Å; G497-Y500 CarbonylContact O-C 3.54Å; Y500-V571 HydrophobicContact CD1-CB 4.43Å; Y500-V571 HydrophobicContact CD1-CG2 4.48Å; Y500-V574 HydrophobicContact CD1-CB 4.45Å; Y500-V574 HydrophobicContact CD1-CG1 4.11Å; Y500-V574 HydrophobicContact CD2-CG1 4.22Å; Y500-V574 HydrophobicContact CE1-CG1 4.36Å; Y500-V574 HydrophobicContact CE2-CG1 4.48Å; Y500-V574 HydrophobicContact CG-CG1 4.02Å |
| 501 | P | 77.9 | Confident | 74.4 | Confident | 47 Ų | 47 | 95.4 Ų | 95.4 | 31% | 0.305 | 48% | 0.478 | S | S | . | . | trans | -65.5 | 144.6 | -177 | 27.1 | -33.4 | 0 | 0 | 0 | 110.8 | L499 Y570 | L499-P501 VanDerWaalsContact C-CD 3.41Å; L499-P501 WeakPolarHBondContact O-CD 3.5Å; P501-Y570 HydrophobicContact CB-CE1 4.03Å; P501-Y570 HydrophobicContact CG-CD1 4.04Å; P501-Y570 HydrophobicContact CG-CE1 3.73Å; P501-Y570 VanDerWaalsContact O-CD1 3.24Å; P501-Y570 WeakPolarHBondContact O-CD1 3.37Å | ||
| 502 | F | 75.1 | Confident | 73 | Confident | 108 Ų | 108 | 97.6 Ų | 97.6 | 47% | 0.474 | 50% | 0.498 | S | S | . | . | trans | -85.2 | 139.1 | 175 | 74.3 | -84.4 | 0 | 0 | 0 | 111 | K504 | F502-K504 HydrophobicContact CD2-CG 3.81Å; F502-K504 HydrophobicContact CE2-CD 4Å; F502-K504 VanDerWaalsContact CE2-CE 3.47Å; F502-K504 HydrophobicContact CE2-CG 3.24Å; F502-K504 HydrophobicContact CZ-CD 4.03Å; F502-K504 HydrophobicContact CZ-CG 3.79Å; F502-K504 PolarHBondContact O-N 3.41Å | ||
| 503 | N | 72.6 | Confident | 71.9 | Confident | 36 Ų | 36 | 99.5 Ų | 99.5 | 19% | 0.193 | 51% | 0.513 | C | S | . | . | trans | -77 | 112.1 | 178 | -168.3 | -6.6 | 0 | 0 | 0 | 110.5 | N505 Y514 T562 Y570 | N503-N505 PolarHBondContact OD1-N 3.04Å; N503-Y514 WeakPolarHBondContact ND2-CE2 3.27Å; N503-Y514 PolarHBondContact ND2-OH 3.38Å; N503-Y514 VanDerWaalsContact ND2-OH 3.12Å; N503-T562 PolarHBondContact ND2-O 3.21Å; N503-Y570 HydrophobicContact CB-CD1 4.34Å; N503-Y570 HydrophobicContact CB-CD2 4.03Å; N503-Y570 HydrophobicContact CB-CE2 4.29Å; N503-Y570 HydrophobicContact CB-CG 4.09Å | ||
| 504 | K | 70.2 | Confident | 70.8 | Confident | 160 Ų | 160 | 103 Ų | 103 | 70% | 0.696 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -80.9 | -16.6 | 176.6 | -74.5 | 179 | 178.6 | 178.6 | 0 | 113.9 | F502 | F502-K504 HydrophobicContact CD2-CG 3.81Å; F502-K504 HydrophobicContact CE2-CD 4Å; F502-K504 VanDerWaalsContact CE2-CE 3.47Å; F502-K504 HydrophobicContact CE2-CG 3.24Å; F502-K504 HydrophobicContact CZ-CD 4.03Å; F502-K504 HydrophobicContact CZ-CG 3.79Å; F502-K504 PolarHBondContact O-N 3.41Å |
| 505 | N | 65.8 | Low | 70 | Confident | 144 Ų | 144 | 100.6 Ų | 100.6 | 77% | 0.77 | 52% | 0.519 | S | S | * | . | trans | -106.9 | 30.3 | -167.1 | -71.2 | -9.6 | 0 | 0 | 0 | 113.2 | N503 N507 | N503-N505 PolarHBondContact OD1-N 3.04Å; N505-N507 PolarHBondContact O-N 3.14Å | ||
| 506 | N | 61.8 | Low | 69.7 | Low | 93 Ų | 93 | 97.4 Ų | 97.4 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | trans | -78.8 | 113.1 | -179.1 | -158.8 | 10.8 | 0 | 0 | 0 | 110.7 | ||||
| 507 | N | 63 | Low | 69.5 | Low | 104 Ų | 104 | 98.7 Ų | 98.7 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | trans | -102.6 | 110.5 | 175.6 | -126.1 | -21.1 | 0 | 0 | 0 | 108.2 | N505 D509 K510 | N505-N507 PolarHBondContact O-N 3.14Å; N507-D509 PolarHBondContact O-N 3.4Å; N507-D509 VanDerWaalsContact O-N 3.1Å; N507-K510 PolarHBondContact O-N 3.32Å | ||
| 508 | L | 61.3 | Low | 69.6 | Low | 140 Ų | 140 | 98.3 Ų | 98.3 | 73% | 0.733 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -58.6 | -27.9 | -171.9 | -133.2 | 78.4 | 0 | 0 | 0 | 112.9 | K510 | L508-K510 PolarHBondContact O-N 3.39Š|
| 509 | D | 65.2 | Low | 69.5 | Low | 158 Ų | 158 | 94 Ų | 94 | 85% | 0.845 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -73 | -9.6 | 179.8 | -63.1 | -26.1 | 0 | 0 | 0 | 114.2 | N507 | N507-D509 PolarHBondContact O-N 3.4Å; N507-D509 VanDerWaalsContact O-N 3.1Å |
| 510 | K | 62.9 | Low | 69.7 | Low | 134 Ų | 134 | 93.6 Ų | 93.6 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -115.3 | 35.5 | -174.6 | -76.9 | -169 | -177.2 | -178.9 | 0 | 113.7 | N507 L508 T512 T513 | N507-K510 PolarHBondContact O-N 3.32Å; L508-K510 PolarHBondContact O-N 3.39Å; K510-T512 VanDerWaalsContact C-N 3.25Å; K510-T512 PolarHBondContact O-N 2.79Å; K510-T512 VanDerWaalsContact O-N 3.15Å; K510-T513 WeakPolarHBondContact CB-OG1 3.4Å; K510-T513 PolarHBondContact O-N 3.5Å; K510-T513 VanDerWaalsContact O-N 3.08Å; K510-T513 PolarHBondContact O-OG1 2.95Å |
| 511 | L | 56.2 | Low | 69.6 | Low | 139 Ų | 139 | 91.4 Ų | 91.4 | 73% | 0.728 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -54.6 | -34 | -175.5 | -142.4 | 78.3 | 0 | 0 | 0 | 114.3 | ||
| 512 | T | 57.5 | Low | 69.3 | Low | 143 Ų | 143 | 94.2 Ų | 94.2 | 88% | 0.877 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -80.9 | -12.4 | -178.4 | 48.2 | 0 | 0 | 0 | 0 | 114.5 | K510 | K510-T512 VanDerWaalsContact C-N 3.25Å; K510-T512 PolarHBondContact O-N 2.79Å; K510-T512 VanDerWaalsContact O-N 3.15Å |
| 513 | T | 58.9 | Low | 69.2 | Low | 75 Ų | 75 | 96.2 Ų | 96.2 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -100 | 4.6 | 177.3 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | K510 S515 T562 | K510-T513 WeakPolarHBondContact CB-OG1 3.4Å; K510-T513 PolarHBondContact O-N 3.5Å; K510-T513 VanDerWaalsContact O-N 3.08Å; K510-T513 PolarHBondContact O-OG1 2.95Å; T513-S515 PolarHBondContact O-N 3.38Å; T513-S515 VanDerWaalsContact O-N 3.09Å; T513-T562 PolarHBondContact O-OG1 2.96Å; T513-T562 VanDerWaalsContact O-OG1 3.11Å |
| 514 | Y | 64.6 | Low | 69.2 | Low | 90 Ų | 90 | 97.2 Ų | 97.2 | 35% | 0.353 | 53% | 0.533 | S | S | . | . | trans | -79.8 | 88.4 | 178.2 | -158.3 | -96.7 | 0 | 0 | 0 | 109.8 | N503 A563 | N503-Y514 WeakPolarHBondContact ND2-CE2 3.27Å; N503-Y514 PolarHBondContact ND2-OH 3.38Å; N503-Y514 VanDerWaalsContact ND2-OH 3.12Å; Y514-A563 HydrophobicContact CD1-CB 3.7Å; Y514-A563 HydrophobicContact CD2-CB 4.24Å; Y514-A563 HydrophobicContact CE1-CB 3.45Å; Y514-A563 VanDerWaalsContact CE1-CB 3.45Å; Y514-A563 HydrophobicContact CE2-CB 4.03Å; Y514-A563 HydrophobicContact CG-CB 4.09Å | ||
| 515 | S | 70.6 | Confident | 69.5 | Low | 75 Ų | 75 | 94.4 Ų | 94.4 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | trans | -139.7 | 152.8 | 177.2 | 60.1 | 0 | 0 | 0 | 0 | 110.3 | T513 G561 A563 | T513-S515 PolarHBondContact O-N 3.38Å; T513-S515 VanDerWaalsContact O-N 3.09Å; S515-G561 CarbonylContact O-C 3.56Å; S515-G561 VanDerWaalsContact O-CA 3.27Å; S515-G561 WeakPolarHBondContact O-CA 3.29Å; S515-A563 PolarHBondContact O-N 2.95Å | ||
| 516 | C | 77.6 | Confident | 70 | Confident | 43 Ų | 43 | 94.6 Ų | 94.6 | 29% | 0.291 | 53% | 0.531 | S | S | . | . | trans | -131.1 | 115 | 169.8 | -175.1 | 0 | 0 | 0 | 0 | 107.4 | A563 C564 P569 | C516-A563 HydrophobicContact CB-CB 4.13Å; C516-C564 WeakPolarHBondContact CA-SG 3.46Å; C516-C564 HydrophobicContact CB-CB 4.16Å; C516-C564 WeakPolarHBondContact CB-SG 3.37Å; C516-C564 WeakPolarHBondContact SG-CA 3.26Å; C516-C564 WeakPolarHBondContact SG-CB 3.11Å; C516-C564 CovalentContact SG-SG 2.03Å; C516-C564 PolarHBondContact SG-SG 3.26Å; C516-P569 HydrophobicContact CB-CB 4.08Å | ||
| 517 | A | 78.1 | Confident | 70.5 | Confident | 43 Ų | 43 | 92 Ų | 92 | 36% | 0.355 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 142.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V560 | A517-V560 PolarHBondContact N-O 2.82Å; A517-V560 VanDerWaalsContact N-O 3.15Å; A517-V560 PolarHBondContact O-N 2.84Å |
| 518 | C | 82.4 | Confident | 71.1 | Confident | 12 Ų | 12 | 87.5 Ų | 87.5 | 8% | 0.081 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 129.5 | 165.3 | -175.9 | 0 | 0 | 0 | 0 | 108 | W544 C552 F559 | C518-W544 WeakPolarHBondContact O-CB 3.23Å; C518-C552 HydrophobicContact CB-CB 3.76Å; C518-C552 WeakPolarHBondContact CB-SG 3.45Å; C518-C552 WeakPolarHBondContact SG-CB 3.36Å; C518-C552 CovalentContact SG-SG 2.01Å; C518-C552 PolarHBondContact SG-SG 2.94Å; C518-F559 HydrophobicContact CB-CD1 4.46Å; C518-F559 HydrophobicContact CB-CE1 4.3Å |
| 519 | V | 81.2 | Confident | 71.7 | Confident | 62 Ų | 62 | 83.9 Ų | 83.9 | 38% | 0.376 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 160.1 | -179.5 | -132.4 | 0 | 0 | 0 | 0 | 109.8 | E558 V560 | V519-E558 PolarHBondContact N-O 3.38Å; V519-E558 PolarHBondContact O-N 3.42Å; V519-V560 HydrophobicContact CB-CG2 4.47Å; V519-V560 HydrophobicContact CG2-CB 3.64Å; V519-V560 HydrophobicContact CG2-CG2 3.59Å |
| 520 | E | 80.4 | Confident | 72.2 | Confident | 93 Ų | 93 | 83 Ų | 83 | 44% | 0.435 | 48% | 0.475 | S | S | . | . | trans | -60.1 | 134 | 173 | -172.6 | 176.9 | -177.3 | 0 | 0 | 110.5 | S522 A539 W544 | E520-S522 PolarHBondContact O-N 3.39Å; E520-A539 VanDerWaalsContact OE1-CB 3.26Å; E520-A539 WeakPolarHBondContact OE1-CB 3.38Å; E520-W544 HydrophobicContact CB-CD2 4.45Å; E520-W544 HydrophobicContact CB-CZ2 4.07Å; E520-W544 HydrophobicContact CG-CZ2 4.13Å | ||
| 521 | P | 79.4 | Confident | 72.9 | Confident | 20 Ų | 20 | 79.6 Ų | 79.6 | 13% | 0.13 | 46% | 0.46 | C | S | . | . | trans | -60.3 | 131.4 | 175.8 | -18.6 | 29.6 | 0 | 0 | 0 | 111 | D523 W532 R556 | P521-D523 VanDerWaalsContact C-N 3.29Å; P521-D523 PolarHBondContact O-N 3.4Å; P521-W532 HydrophobicContact CG-CH2 4.37Å; P521-R556 WeakPolarHBondContact CG-O 3.31Å | ||
| 522 | S | 71.3 | Confident | 74 | Confident | 106 Ų | 106 | 74 Ų | 74 | 74% | 0.741 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -67.8 | -29.4 | -178.7 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | E520 | E520-S522 PolarHBondContact O-N 3.39Š|
| 523 | D | 73.2 | Confident | 74.9 | Confident | 150 Ų | 150 | 74 Ų | 74 | 80% | 0.802 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -131.7 | 93.6 | 175.9 | -78.8 | -41.4 | 0 | 0 | 0 | 111.1 | P521 T525 | P521-D523 VanDerWaalsContact C-N 3.29Å; P521-D523 PolarHBondContact O-N 3.4Å; D523-T525 PolarHBondContact O-N 2.92Å |
| 524 | P | 72 | Confident | 75.8 | Confident | 57 Ų | 57 | 75.7 Ų | 75.7 | 37% | 0.37 | 43% | 0.429 | S | S | . | . | trans | -71.9 | 124.9 | -179.2 | 28 | -33.5 | 0 | 0 | 0 | 111.4 | V529 W532 | P524-V529 HydrophobicContact CB-CG2 3.85Å; P524-V529 HydrophobicContact CG-CG2 4.06Å; P524-W532 HydrophobicContact CB-CH2 4.47Å; P524-W532 HydrophobicContact CB-CZ3 4.13Å | ||
| 525 | T | 75.7 | Confident | 76.4 | Confident | 101 Ų | 101 | 75.2 Ų | 75.2 | 62% | 0.62 | 43% | 0.433 | S | S | * | . | trans | -63.3 | 149.1 | 175 | -15.7 | 0 | 0 | 0 | 0 | 110.8 | D523 G527 T528 V529 | D523-T525 PolarHBondContact O-N 2.92Å; T525-G527 PolarHBondContact O-N 3.33Å; T525-T528 WeakPolarHBondContact O-CA 3.09Å; T525-T528 WeakPolarHBondContact O-CB 3.21Å; T525-T528 PolarHBondContact O-N 2.93Å; T525-T528 PolarHBondContact O-OG1 3.48Å; T525-T528 PolarHBondContact OG1-OG1 3.31Å; T525-V529 PolarHBondContact O-N 2.98Å | ||
| 526 | N | 76.2 | Confident | 76.8 | Confident | 149 Ų | 149 | 78.7 Ų | 78.7 | 80% | 0.797 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -50.7 | -29.8 | 177.8 | -79.2 | -4.1 | 0 | 0 | 0 | 114 | K530 | N526-K530 WeakPolarHBondContact O-CB 3.29Å; N526-K530 PolarHBondContact O-N 3.48Å |
| 527 | G | 72.5 | Confident | 76.6 | Confident | 39 Ų | 39 | 79 Ų | 79 | 40% | 0.402 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -75.4 | -23.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | T525 F531 R556 | T525-G527 PolarHBondContact O-N 3.33Å; G527-F531 WeakPolarHBondContact O-CB 3.34Å; G527-F531 PolarHBondContact O-N 2.91Å; G527-R556 PolarHBondContact O-NH1 3.12Å |
| 528 | T | 74.9 | Confident | 76.3 | Confident | 8 Ų | 8 | 80.4 Ų | 80.4 | 5% | 0.049 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -81.3 | -44.6 | 178.8 | -44.2 | 0 | 0 | 0 | 0 | 110 | T525 K530 F531 W532 R556 | T525-T528 WeakPolarHBondContact O-CA 3.09Å; T525-T528 WeakPolarHBondContact O-CB 3.21Å; T525-T528 PolarHBondContact O-N 2.93Å; T525-T528 PolarHBondContact O-OG1 3.48Å; T525-T528 PolarHBondContact OG1-OG1 3.31Å; T528-K530 VanDerWaalsContact C-N 3.34Å; T528-K530 PolarHBondContact O-N 3.21Å; T528-F531 WeakPolarHBondContact O-CB 3.23Å; T528-F531 PolarHBondContact O-N 3.06Å; T528-F531 VanDerWaalsContact O-N 3.13Å; T528-W532 HydrophobicContact CG2-CD2 4.45Å; T528-W532 HydrophobicContact CG2-CH2 4.11Å; T528-W532 HydrophobicContact CG2-CZ2 3.83Å; T528-W532 PolarHBondContact O-N 2.85Å; T528-R556 HydrophobicContact CG2-CB 3.63Å; T528-R556 HydrophobicContact CG2-CG 4.16Å; T528-R556 PolarHBondContact OG1-NH1 3.08Å |
| 529 | V | 74.4 | Confident | 75.6 | Confident | 64 Ų | 64 | 80.6 Ų | 80.6 | 39% | 0.388 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 172.7 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | P524 T525 F531 W532 E533 | P524-V529 HydrophobicContact CB-CG2 3.85Å; P524-V529 HydrophobicContact CG-CG2 4.06Å; T525-V529 PolarHBondContact O-N 2.98Å; V529-F531 VanDerWaalsContact C-N 3.28Å; V529-F531 PolarHBondContact O-N 2.91Å; V529-W532 PolarHBondContact O-N 3.42Å; V529-E533 WeakPolarHBondContact O-CB 3.46Å; V529-E533 PolarHBondContact O-N 3.04Å |
| 530 | K | 75.8 | Confident | 74.9 | Confident | 140 Ų | 140 | 82.6 Ų | 82.6 | 61% | 0.609 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.1 | -32 | 176.7 | -165.8 | 175.6 | -174.6 | 178.2 | 0 | 113.1 | N526 T528 V534 | N526-K530 WeakPolarHBondContact O-CB 3.29Å; N526-K530 PolarHBondContact O-N 3.48Å; T528-K530 VanDerWaalsContact C-N 3.34Å; T528-K530 PolarHBondContact O-N 3.21Å; K530-V534 WeakPolarHBondContact O-CB 3.28Å; K530-V534 WeakPolarHBondContact O-CG2 3.13Å; K530-V534 PolarHBondContact O-N 3.45Å |
| 531 | F | 77.4 | Confident | 74.4 | Confident | 63 Ų | 63 | 84.8 Ų | 84.8 | 28% | 0.276 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.3 | -43.4 | 176.6 | 173.7 | -97 | 0 | 0 | 0 | 111.8 | G527 T528 V529 E533 V534 N535 | G527-F531 WeakPolarHBondContact O-CB 3.34Å; G527-F531 PolarHBondContact O-N 2.91Å; T528-F531 WeakPolarHBondContact O-CB 3.23Å; T528-F531 PolarHBondContact O-N 3.06Å; T528-F531 VanDerWaalsContact O-N 3.13Å; V529-F531 VanDerWaalsContact C-N 3.28Å; V529-F531 PolarHBondContact O-N 2.91Å; F531-E533 VanDerWaalsContact C-N 3.35Å; F531-V534 PolarHBondContact O-N 3.28Å; F531-N535 WeakPolarHBondContact CE2-ND2 3.31Å; F531-N535 WeakPolarHBondContact CZ-ND2 3.31Å; F531-N535 WeakPolarHBondContact O-CB 3.34Å; F531-N535 PolarHBondContact O-N 3.3Å; F531-N535 VanDerWaalsContact O-N 3.11Å |
| 532 | W | 79.1 | Confident | 74.1 | Confident | 21 Ų | 21 | 84.2 Ų | 84.2 | 8% | 0.08 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 174.9 | -67.2 | -24.7 | 0 | 0 | 0 | 112.1 | P521 P524 T528 V529 N535 N536 I537 A539 W544 K555 | P521-W532 HydrophobicContact CG-CH2 4.37Å; P524-W532 HydrophobicContact CB-CH2 4.47Å; P524-W532 HydrophobicContact CB-CZ3 4.13Å; T528-W532 HydrophobicContact CG2-CD2 4.45Å; T528-W532 HydrophobicContact CG2-CH2 4.11Å; T528-W532 HydrophobicContact CG2-CZ2 3.83Å; T528-W532 PolarHBondContact O-N 2.85Å; V529-W532 PolarHBondContact O-N 3.42Å; W532-N535 PolarHBondContact O-N 3.15Å; W532-N536 PolarHBondContact O-N 3.5Å; W532-I537 WeakPolarHBondContact CB-O 3.25Å; W532-I537 PolarHBondContact O-N 3.47Å; W532-A539 HydrophobicContact CE3-CB 4.5Å; W532-A539 HydrophobicContact CH2-CB 4.44Å; W532-A539 HydrophobicContact CZ3-CB 4.18Å; W532-W544 HydrophobicContact CZ2-CH2 4.21Å; W532-K555 PolarHBondContact NE1-O 3.45Å |
| 533 | E | 76.7 | Confident | 74.3 | Confident | 144 Ų | 144 | 88.5 Ų | 88.5 | 67% | 0.673 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66 | -42.6 | 176 | -166.8 | 176.2 | -159.6 | 0 | 0 | 112.5 | V529 F531 N535 N536 | V529-E533 WeakPolarHBondContact O-CB 3.46Å; V529-E533 PolarHBondContact O-N 3.04Å; F531-E533 VanDerWaalsContact C-N 3.35Å; E533-N535 VanDerWaalsContact C-N 3.3Å; E533-N535 PolarHBondContact O-N 3.32Å; E533-N536 PolarHBondContact O-N 3.02Å |
| 534 | V | 78.5 | Confident | 74.5 | Confident | 109 Ų | 109 | 82.8 Ų | 82.8 | 66% | 0.661 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65.6 | -32.7 | 176.7 | 167.2 | 0 | 0 | 0 | 0 | 112.3 | K530 F531 | K530-V534 WeakPolarHBondContact O-CB 3.28Å; K530-V534 WeakPolarHBondContact O-CG2 3.13Å; K530-V534 PolarHBondContact O-N 3.45Å; F531-V534 PolarHBondContact O-N 3.28Å |
| 535 | N | 76.1 | Confident | 74.4 | Confident | 80 Ų | 80 | 88.9 Ų | 88.9 | 43% | 0.428 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 4.2 | -178.5 | -68.7 | -21.7 | 0 | 0 | 0 | 113.7 | F531 W532 E533 I537 | F531-N535 WeakPolarHBondContact CE2-ND2 3.31Å; F531-N535 WeakPolarHBondContact CZ-ND2 3.31Å; F531-N535 WeakPolarHBondContact O-CB 3.34Å; F531-N535 PolarHBondContact O-N 3.3Å; F531-N535 VanDerWaalsContact O-N 3.11Å; W532-N535 PolarHBondContact O-N 3.15Å; E533-N535 VanDerWaalsContact C-N 3.3Å; E533-N535 PolarHBondContact O-N 3.32Å; N535-I537 VanDerWaalsContact C-N 3.27Å; N535-I537 HydrophobicContact CB-CD1 3.65Å; N535-I537 HydrophobicContact CB-CG1 3.79Å; N535-I537 PolarHBondContact O-N 2.9Å |
| 536 | N | 78.9 | Confident | 74.3 | Confident | 149 Ų | 149 | 88.1 Ų | 88.1 | 80% | 0.797 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 42.6 | -173.2 | -83.2 | -20.1 | 0 | 0 | 0 | 113.2 | W532 E533 | W532-N536 PolarHBondContact O-N 3.5Å; E533-N536 PolarHBondContact O-N 3.02Å |
| 537 | I | 74.7 | Confident | 74.2 | Confident | 50 Ų | 50 | 82.8 Ų | 82.8 | 26% | 0.256 | 44% | 0.44 | S | S | . | . | trans | -104.5 | 124 | 180 | -57.9 | 173.6 | 0 | 0 | 0 | 109.1 | W532 N535 I542 | W532-I537 WeakPolarHBondContact CB-O 3.25Å; W532-I537 PolarHBondContact O-N 3.47Å; N535-I537 VanDerWaalsContact C-N 3.27Å; N535-I537 HydrophobicContact CB-CD1 3.65Å; N535-I537 HydrophobicContact CB-CG1 3.79Å; N535-I537 PolarHBondContact O-N 2.9Å; I537-I542 HydrophobicContact CG2-CD1 3.66Å; I537-I542 HydrophobicContact CG2-CG1 3.94Å | ||
| 538 | T | 71.9 | Confident | 74.3 | Confident | 72 Ų | 72 | 87.4 Ų | 87.4 | 44% | 0.442 | 45% | 0.451 | S | S | . | . | trans | -93.9 | 131.2 | 172.6 | -31.3 | 0 | 0 | 0 | 0 | 109.6 | S540 E541 | T538-S540 PolarHBondContact O-N 3.22Å; T538-S540 VanDerWaalsContact O-N 3.14Å; T538-E541 WeakPolarHBondContact CB-OE2 3.4Å; T538-E541 PolarHBondContact O-N 3.33Å; T538-E541 PolarHBondContact OG1-OE2 3.04Å | ||
| 539 | A | 66.8 | Low | 74.1 | Confident | 15 Ų | 15 | 90 Ų | 90 | 12% | 0.124 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -59.4 | -28.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E520 W532 W544 | E520-A539 VanDerWaalsContact OE1-CB 3.26Å; E520-A539 WeakPolarHBondContact OE1-CB 3.38Å; W532-A539 HydrophobicContact CE3-CB 4.5Å; W532-A539 HydrophobicContact CH2-CB 4.44Å; W532-A539 HydrophobicContact CZ3-CB 4.18Å; A539-W544 PolarHBondContact O-NE1 2.96Å |
| 540 | S | 66.8 | Low | 74.1 | Confident | 105 Ų | 105 | 94.7 Ų | 94.7 | 73% | 0.734 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -79.5 | -14.4 | 176.9 | 53.9 | 0 | 0 | 0 | 0 | 114.9 | T538 I542 | T538-S540 PolarHBondContact O-N 3.22Å; T538-S540 VanDerWaalsContact O-N 3.14Å; S540-I542 VanDerWaalsContact C-N 3.35Å |
| 541 | E | 70.1 | Confident | 74 | Confident | 138 Ų | 138 | 91.2 Ų | 91.2 | 65% | 0.645 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -86.5 | -10.9 | 175.8 | -70.8 | 174.7 | 144.6 | 0 | 0 | 112.2 | T538 | T538-E541 WeakPolarHBondContact CB-OE2 3.4Å; T538-E541 PolarHBondContact O-N 3.33Å; T538-E541 PolarHBondContact OG1-OE2 3.04Å |
| 542 | I | 72.9 | Confident | 74 | Confident | 9 Ų | 9 | 88.2 Ų | 88.2 | 5% | 0.046 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -86.1 | 118.5 | 178.9 | -59.2 | 168.6 | 0 | 0 | 0 | 109 | I537 S540 W544 L547 K555 | I537-I542 HydrophobicContact CG2-CD1 3.66Å; I537-I542 HydrophobicContact CG2-CG1 3.94Å; S540-I542 VanDerWaalsContact C-N 3.35Å; I542-W544 VanDerWaalsContact C-N 3.34Å; I542-W544 HydrophobicContact CB-CD2 4.41Å; I542-W544 HydrophobicContact CB-CZ2 4.19Å; I542-W544 HydrophobicContact CD1-CH2 4.01Å; I542-W544 HydrophobicContact CD1-CZ2 3.77Å; I542-W544 HydrophobicContact CG2-CD2 3.85Å; I542-W544 HydrophobicContact CG2-CE3 4.08Å; I542-W544 HydrophobicContact CG2-CG 4.29Å; I542-W544 HydrophobicContact CG2-CH2 4.4Å; I542-W544 HydrophobicContact CG2-CZ2 4.17Å; I542-W544 HydrophobicContact CG2-CZ3 4.34Å; I542-W544 PolarHBondContact O-N 3.49Å; I542-W544 PolarHBondContact O-NE1 2.89Å; I542-L547 HydrophobicContact CG2-CD1 3.42Å; I542-L547 VanDerWaalsContact CG2-CD1 3.42Å; I542-L547 HydrophobicContact CG2-CD2 4.44Å; I542-K555 HydrophobicContact CD1-CB 4.4Å; I542-K555 HydrophobicContact CD1-CD 3.85Å; I542-K555 HydrophobicContact CG1-CD 4.04Å; I542-K555 HydrophobicContact CG2-CD 3.93Å |
| 543 | Y | 75.8 | Confident | 73.9 | Confident | 196 Ų | 196 | 91.7 Ų | 91.7 | 77% | 0.769 | 48% | 0.477 | S | S | * | . | trans | -76.5 | 82.7 | 169.7 | -91.4 | -90.7 | 0 | 0 | 0 | 111 | E545 A546 L547 | Y543-E545 VanDerWaalsContact C-N 3.26Å; Y543-E545 PolarHBondContact O-N 2.97Å; Y543-A546 PolarHBondContact O-N 3.44Å; Y543-A546 VanDerWaalsContact O-N 3.08Å; Y543-L547 WeakPolarHBondContact O-CD1 3.39Å | ||
| 544 | W | 76.6 | Confident | 74 | Confident | 29 Ų | 29 | 91.3 Ų | 91.3 | 11% | 0.11 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -50.6 | -38 | -175.8 | -65.3 | 102.1 | 0 | 0 | 0 | 114.6 | C518 E520 W532 A539 I542 A546 L547 G557 | C518-W544 WeakPolarHBondContact O-CB 3.23Å; E520-W544 HydrophobicContact CB-CD2 4.45Å; E520-W544 HydrophobicContact CB-CZ2 4.07Å; E520-W544 HydrophobicContact CG-CZ2 4.13Å; W532-W544 HydrophobicContact CZ2-CH2 4.21Å; A539-W544 PolarHBondContact O-NE1 2.96Å; I542-W544 VanDerWaalsContact C-N 3.34Å; I542-W544 HydrophobicContact CB-CD2 4.41Å; I542-W544 HydrophobicContact CB-CZ2 4.19Å; I542-W544 HydrophobicContact CD1-CH2 4.01Å; I542-W544 HydrophobicContact CD1-CZ2 3.77Å; I542-W544 HydrophobicContact CG2-CD2 3.85Å; I542-W544 HydrophobicContact CG2-CE3 4.08Å; I542-W544 HydrophobicContact CG2-CG 4.29Å; I542-W544 HydrophobicContact CG2-CH2 4.4Å; I542-W544 HydrophobicContact CG2-CZ2 4.17Å; I542-W544 HydrophobicContact CG2-CZ3 4.34Å; I542-W544 PolarHBondContact O-N 3.49Å; I542-W544 PolarHBondContact O-NE1 2.89Å; W544-A546 PolarHBondContact O-N 3.27Å; W544-L547 VanDerWaalsContact CA-CD1 3.43Å; W544-L547 HydrophobicContact CE3-CD1 4.34Å; W544-G557 VanDerWaalsContact CZ3-CA 3.44Å |
| 545 | E | 69.8 | Low | 73.8 | Confident | 186 Ų | 186 | 89.4 Ų | 89.4 | 87% | 0.869 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -76.2 | -18.8 | -178.1 | -63.4 | -179 | 168.8 | 0 | 0 | 114.6 | Y543 | Y543-E545 VanDerWaalsContact C-N 3.26Å; Y543-E545 PolarHBondContact O-N 2.97Å |
| 546 | A | 73.9 | Confident | 73.8 | Confident | 85 Ų | 85 | 90.9 Ų | 90.9 | 70% | 0.702 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -103.4 | 2.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y543 W544 | Y543-A546 PolarHBondContact O-N 3.44Å; Y543-A546 VanDerWaalsContact O-N 3.08Å; W544-A546 PolarHBondContact O-N 3.27Å |
| 547 | L | 74.5 | Confident | 73.7 | Confident | 36 Ų | 36 | 84.6 Ų | 84.6 | 19% | 0.188 | 43% | 0.428 | C | S | . | . | trans | -81 | 141.5 | 179.4 | -72 | 124.5 | 0 | 0 | 0 | 111.9 | I542 Y543 W544 D551 K555 | I542-L547 HydrophobicContact CG2-CD1 3.42Å; I542-L547 VanDerWaalsContact CG2-CD1 3.42Å; I542-L547 HydrophobicContact CG2-CD2 4.44Å; Y543-L547 WeakPolarHBondContact O-CD1 3.39Å; W544-L547 VanDerWaalsContact CA-CD1 3.43Å; W544-L547 HydrophobicContact CE3-CD1 4.34Å; L547-D551 HydrophobicContact CB-CB 4.31Å; L547-D551 HydrophobicContact CD2-CB 3.46Å; L547-D551 VanDerWaalsContact CD2-CB 3.46Å; L547-D551 HydrophobicContact CG-CB 4.46Å; L547-K555 HydrophobicContact CD2-CD 3.9Å | ||
| 548 | E | 73.9 | Confident | 74 | Confident | 136 Ų | 136 | 86.8 Ų | 86.8 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | trans | -68.4 | 158.1 | 163.9 | -65.5 | -168.2 | 174.6 | 0 | 0 | 110.7 | K550 D551 C552 | E548-K550 PolarHBondContact O-N 2.8Å; E548-K550 VanDerWaalsContact O-N 3.13Å; E548-D551 PolarHBondContact O-N 3.07Å; E548-D551 VanDerWaalsContact O-N 3.09Å; E548-C552 PolarHBondContact O-N 2.94Å | ||
| 549 | V | 71.6 | Confident | 74.3 | Confident | 64 Ų | 64 | 85.2 Ų | 85.2 | 39% | 0.388 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -53.2 | -37.6 | -179.9 | 179.4 | 0 | 0 | 0 | 0 | 112.2 | I553 F559 P569 | V549-I553 HydrophobicContact CG1-CD1 4.2Å; V549-I553 WeakPolarHBondContact O-CG1 3.39Å; V549-I553 PolarHBondContact O-N 3.06Å; V549-F559 HydrophobicContact CG1-CE1 4.39Å; V549-F559 HydrophobicContact CG1-CZ 3.83Å; V549-P569 HydrophobicContact CG2-CG 3.69Å |
| 550 | K | 73.3 | Confident | 74.8 | Confident | 162 Ų | 162 | 88.4 Ų | 88.4 | 70% | 0.704 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.2 | -46.3 | 178.9 | -70.2 | -179.8 | -176.4 | 166.8 | 0 | 112.1 | E548 C552 I553 E554 | E548-K550 PolarHBondContact O-N 2.8Å; E548-K550 VanDerWaalsContact O-N 3.13Å; K550-C552 VanDerWaalsContact C-N 3.29Å; K550-C552 PolarHBondContact O-N 3.02Å; K550-I553 PolarHBondContact O-N 2.87Å; K550-E554 WeakPolarHBondContact O-CB 3.46Å; K550-E554 PolarHBondContact O-N 2.94Å |
| 551 | D | 75.3 | Confident | 75.2 | Confident | 67 Ų | 67 | 85 Ų | 85 | 36% | 0.358 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.7 | -32.9 | -178.8 | -57.5 | -18.1 | 0 | 0 | 0 | 111 | L547 E548 E554 K555 | L547-D551 HydrophobicContact CB-CB 4.31Å; L547-D551 HydrophobicContact CD2-CB 3.46Å; L547-D551 VanDerWaalsContact CD2-CB 3.46Å; L547-D551 HydrophobicContact CG-CB 4.46Å; E548-D551 PolarHBondContact O-N 3.07Å; E548-D551 VanDerWaalsContact O-N 3.09Å; D551-E554 PolarHBondContact O-N 3.44Å; D551-K555 WeakPolarHBondContact O-CB 3.49Å; D551-K555 WeakPolarHBondContact O-CG 3.4Å; D551-K555 PolarHBondContact O-N 3.33Å |
| 552 | C | 77.5 | Confident | 75.2 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 171.9 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | C518 E548 K550 K555 R556 G557 F559 | C518-C552 HydrophobicContact CB-CB 3.76Å; C518-C552 WeakPolarHBondContact CB-SG 3.45Å; C518-C552 WeakPolarHBondContact SG-CB 3.36Å; C518-C552 CovalentContact SG-SG 2.01Å; C518-C552 PolarHBondContact SG-SG 2.94Å; E548-C552 PolarHBondContact O-N 2.94Å; K550-C552 VanDerWaalsContact C-N 3.29Å; K550-C552 PolarHBondContact O-N 3.02Å; C552-K555 PolarHBondContact O-N 3.32Å; C552-R556 PolarHBondContact O-N 2.92Å; C552-R556 VanDerWaalsContact O-N 3.13Å; C552-G557 PolarHBondContact O-N 2.96Å; C552-F559 HydrophobicContact CB-CE1 4.1Å; C552-F559 HydrophobicContact CB-CZ 3.94Å; C552-F559 VanDerWaalsContact SG-CE1 3.51Å; C552-F559 VanDerWaalsContact SG-CZ 3.52Å |
| 553 | I | 76.7 | Confident | 74.9 | Confident | 94 Ų | 94 | 82.6 Ų | 82.6 | 48% | 0.482 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.1 | -41.8 | 178 | -66.1 | 165.8 | 0 | 0 | 0 | 110.9 | V549 K550 K555 R556 F559 | V549-I553 HydrophobicContact CG1-CD1 4.2Å; V549-I553 WeakPolarHBondContact O-CG1 3.39Å; V549-I553 PolarHBondContact O-N 3.06Å; K550-I553 PolarHBondContact O-N 2.87Å; I553-K555 VanDerWaalsContact C-N 3.32Å; I553-K555 PolarHBondContact O-N 3.49Å; I553-R556 PolarHBondContact O-N 2.7Å; I553-F559 HydrophobicContact CD1-CE2 4.25Å; I553-F559 HydrophobicContact CD1-CZ 4.45Å; I553-F559 HydrophobicContact CG1-CE2 3.78Å; I553-F559 HydrophobicContact CG1-CZ 4.02Å |
| 554 | E | 77.8 | Confident | 74.7 | Confident | 136 Ų | 136 | 74.1 Ų | 74.1 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.7 | -39.5 | 178.6 | -171.6 | 172.1 | -172.8 | 0 | 0 | 111.9 | K550 D551 R556 | K550-E554 WeakPolarHBondContact O-CB 3.46Å; K550-E554 PolarHBondContact O-N 2.94Å; D551-E554 PolarHBondContact O-N 3.44Å; E554-R556 PolarHBondContact O-N 3.39Å |
| 555 | K | 75.6 | Confident | 74.3 | Confident | 69 Ų | 69 | 73.3 Ų | 73.3 | 30% | 0.3 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 4.3 | 174.7 | -64.5 | -167.7 | -176.3 | -171 | 0 | 114.1 | W532 I542 L547 D551 C552 I553 | W532-K555 PolarHBondContact NE1-O 3.45Å; I542-K555 HydrophobicContact CD1-CB 4.4Å; I542-K555 HydrophobicContact CD1-CD 3.85Å; I542-K555 HydrophobicContact CG1-CD 4.04Å; I542-K555 HydrophobicContact CG2-CD 3.93Å; L547-K555 HydrophobicContact CD2-CD 3.9Å; D551-K555 WeakPolarHBondContact O-CB 3.49Å; D551-K555 WeakPolarHBondContact O-CG 3.4Å; D551-K555 PolarHBondContact O-N 3.33Å; C552-K555 PolarHBondContact O-N 3.32Å; I553-K555 VanDerWaalsContact C-N 3.32Å; I553-K555 PolarHBondContact O-N 3.49Å |
| 556 | R | 75.8 | Confident | 74.1 | Confident | 111 Ų | 111 | 70.4 Ų | 70.4 | 42% | 0.419 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 43.9 | -179.4 | -57.6 | -175.1 | 175.4 | -152.9 | 0.6 | 114 | P521 G527 T528 C552 I553 E554 | P521-R556 WeakPolarHBondContact CG-O 3.31Å; G527-R556 PolarHBondContact O-NH1 3.12Å; T528-R556 HydrophobicContact CG2-CB 3.63Å; T528-R556 HydrophobicContact CG2-CG 4.16Å; T528-R556 PolarHBondContact OG1-NH1 3.08Å; C552-R556 PolarHBondContact O-N 2.92Å; C552-R556 VanDerWaalsContact O-N 3.13Å; I553-R556 PolarHBondContact O-N 2.7Å; E554-R556 PolarHBondContact O-N 3.39Å |
| 557 | G | 76.9 | Confident | 73.5 | Confident | 17 Ų | 17 | 74.4 Ų | 74.4 | 18% | 0.175 | 39% | 0.391 | C | S | . | . | trans | -74.7 | 161.9 | 170 | 0 | 0 | 0 | 0 | 0 | 113.3 | W544 C552 | W544-G557 VanDerWaalsContact CZ3-CA 3.44Å; C552-G557 PolarHBondContact O-N 2.96Å | ||
| 558 | E | 79.5 | Confident | 73.3 | Confident | 95 Ų | 95 | 73.3 Ų | 73.3 | 44% | 0.444 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 134.8 | 175.7 | -168.4 | 174.9 | 178.8 | 0 | 0 | 110.1 | V519 V560 | V519-E558 PolarHBondContact N-O 3.38Å; V519-E558 PolarHBondContact O-N 3.42Å; E558-V560 HydrophobicContact CG-CG2 4.43Å |
| 559 | F | 79.4 | Confident | 73.2 | Confident | 40 Ų | 40 | 69.1 Ų | 69.1 | 18% | 0.175 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 115.7 | 177.6 | -69 | -71.1 | 0 | 0 | 0 | 110.3 | C518 V549 C552 I553 C564 | C518-F559 HydrophobicContact CB-CD1 4.46Å; C518-F559 HydrophobicContact CB-CE1 4.3Å; V549-F559 HydrophobicContact CG1-CE1 4.39Å; V549-F559 HydrophobicContact CG1-CZ 3.83Å; C552-F559 HydrophobicContact CB-CE1 4.1Å; C552-F559 HydrophobicContact CB-CZ 3.94Å; C552-F559 VanDerWaalsContact SG-CE1 3.51Å; C552-F559 VanDerWaalsContact SG-CZ 3.52Å; I553-F559 HydrophobicContact CD1-CE2 4.25Å; I553-F559 HydrophobicContact CD1-CZ 4.45Å; I553-F559 HydrophobicContact CG1-CE2 3.78Å; I553-F559 HydrophobicContact CG1-CZ 4.02Å; F559-C564 HydrophobicContact CB-CB 3.94Å |
| 560 | V | 77.2 | Confident | 73.2 | Confident | 81 Ų | 81 | 68.9 Ų | 68.9 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127 | -178.7 | -177.3 | 0 | 0 | 0 | 0 | 110 | A517 V519 E558 C564 | A517-V560 PolarHBondContact N-O 2.82Å; A517-V560 VanDerWaalsContact N-O 3.15Å; A517-V560 PolarHBondContact O-N 2.84Å; V519-V560 HydrophobicContact CB-CG2 4.47Å; V519-V560 HydrophobicContact CG2-CB 3.64Å; V519-V560 HydrophobicContact CG2-CG2 3.59Å; E558-V560 HydrophobicContact CG-CG2 4.43Å; V560-C564 PolarHBondContact O-SG 3.47Å |
| 561 | G | 75.1 | Confident | 72.9 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 149.6 | 158.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S515 A563 C564 | S515-G561 CarbonylContact O-C 3.56Å; S515-G561 VanDerWaalsContact O-CA 3.27Å; S515-G561 WeakPolarHBondContact O-CA 3.29Å; G561-A563 PolarHBondContact O-N 2.71Å; G561-C564 PolarHBondContact O-N 2.89Å; G561-C564 VanDerWaalsContact O-N 3.14Å |
| 562 | T | 69.5 | Low | 72.6 | Confident | 88 Ų | 88 | 65.1 Ų | 65.1 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -15.8 | 178.1 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | N503 T513 | N503-T562 PolarHBondContact ND2-O 3.21Å; T513-T562 PolarHBondContact O-OG1 2.96Å; T513-T562 VanDerWaalsContact O-OG1 3.11Å |
| 563 | A | 67.3 | Low | 72.6 | Confident | 7 Ų | 7 | 70.1 Ų | 70.1 | 6% | 0.058 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 4.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y514 S515 C516 G561 Y570 | Y514-A563 HydrophobicContact CD1-CB 3.7Å; Y514-A563 HydrophobicContact CD2-CB 4.24Å; Y514-A563 HydrophobicContact CE1-CB 3.45Å; Y514-A563 VanDerWaalsContact CE1-CB 3.45Å; Y514-A563 HydrophobicContact CE2-CB 4.03Å; Y514-A563 HydrophobicContact CG-CB 4.09Å; S515-A563 PolarHBondContact O-N 2.95Å; C516-A563 HydrophobicContact CB-CB 4.13Å; G561-A563 PolarHBondContact O-N 2.71Å; A563-Y570 VanDerWaalsContact O-CD2 3.27Å; A563-Y570 WeakPolarHBondContact O-CD2 3.34Å; A563-Y570 PolarHBondContact O-N 3.48Å |
| 564 | C | 72.2 | Confident | 73 | Confident | 18 Ų | 18 | 65.6 Ų | 65.6 | 12% | 0.122 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 135.5 | 175.6 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | C516 F559 V560 G561 Y570 | C516-C564 WeakPolarHBondContact CA-SG 3.46Å; C516-C564 HydrophobicContact CB-CB 4.16Å; C516-C564 WeakPolarHBondContact CB-SG 3.37Å; C516-C564 WeakPolarHBondContact SG-CA 3.26Å; C516-C564 WeakPolarHBondContact SG-CB 3.11Å; C516-C564 CovalentContact SG-SG 2.03Å; C516-C564 PolarHBondContact SG-SG 3.26Å; F559-C564 HydrophobicContact CB-CB 3.94Å; V560-C564 PolarHBondContact O-SG 3.47Å; G561-C564 PolarHBondContact O-N 2.89Å; G561-C564 VanDerWaalsContact O-N 3.14Å; C564-Y570 VanDerWaalsContact C-CE2 3.48Å; C564-Y570 VanDerWaalsContact O-CE2 3.25Å; C564-Y570 WeakPolarHBondContact O-CE2 3.46Å |
| 565 | G | 68.4 | Low | 73.3 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 12% | 0.124 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -179.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q567 G568 | G565-Q567 PolarHBondContact O-N 3.15Å; G565-Q567 VanDerWaalsContact O-N 3.1Å; G565-G568 WeakPolarHBondContact CA-O 3.22Å; G565-G568 PolarHBondContact N-O 3.36Å; G565-G568 PolarHBondContact O-N 3.3Å |
| 566 | P | 64.4 | Low | 73.9 | Confident | 125 Ų | 125 | 63.2 Ų | 63.2 | 81% | 0.812 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -12.6 | -173.8 | 22.8 | -31.9 | 0 | 0 | 0 | 115.7 | ||
| 567 | Q | 62.2 | Low | 74.6 | Confident | 170 Ų | 170 | 59 Ų | 59 | 79% | 0.794 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.2 | 3.2 | -179.9 | -63.1 | -171.6 | -2 | 0 | 0 | 114.1 | G565 | G565-Q567 PolarHBondContact O-N 3.15Å; G565-Q567 VanDerWaalsContact O-N 3.1Å |
| 568 | G | 69.6 | Low | 75.2 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 13% | 0.134 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.7 | -179.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G565 | G565-G568 WeakPolarHBondContact CA-O 3.22Å; G565-G568 PolarHBondContact N-O 3.36Å; G565-G568 PolarHBondContact O-N 3.3Å |
| 569 | P | 70.9 | Confident | 75.8 | Confident | 48 Ų | 48 | 56 Ų | 56 | 31% | 0.312 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 143 | 178.3 | 26.5 | -33.1 | 0 | 0 | 0 | 112.3 | C516 V549 V571 | C516-P569 HydrophobicContact CB-CB 4.08Å; V549-P569 HydrophobicContact CG2-CG 3.69Å; P569-V571 PolarHBondContact O-N 3.02Å |
| 570 | Y | 71.6 | Confident | 76.4 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 23% | 0.227 | 34% | 0.336 | C | S | . | . | trans | -65 | 123.7 | 171.5 | -72.5 | -66.9 | 0 | 0 | 0 | 110 | P501 N503 A563 C564 P572 | P501-Y570 HydrophobicContact CB-CE1 4.03Å; P501-Y570 HydrophobicContact CG-CD1 4.04Å; P501-Y570 HydrophobicContact CG-CE1 3.73Å; P501-Y570 VanDerWaalsContact O-CD1 3.24Å; P501-Y570 WeakPolarHBondContact O-CD1 3.37Å; N503-Y570 HydrophobicContact CB-CD1 4.34Å; N503-Y570 HydrophobicContact CB-CD2 4.03Å; N503-Y570 HydrophobicContact CB-CE2 4.29Å; N503-Y570 HydrophobicContact CB-CG 4.09Å; A563-Y570 VanDerWaalsContact O-CD2 3.27Å; A563-Y570 WeakPolarHBondContact O-CD2 3.34Å; A563-Y570 PolarHBondContact O-N 3.48Å; C564-Y570 VanDerWaalsContact C-CE2 3.48Å; C564-Y570 VanDerWaalsContact O-CE2 3.25Å; C564-Y570 WeakPolarHBondContact O-CE2 3.46Å; Y570-P572 WeakPolarHBondContact O-CD 3.14Å | ||
| 571 | V | 68 | Low | 77.1 | Confident | 63 Ų | 63 | 54.8 Ų | 54.8 | 38% | 0.382 | 31% | 0.313 | S | S | . | . | trans | -94.2 | 110 | 170.2 | -167.2 | 0 | 0 | 0 | 0 | 107.8 | Y500 P569 V574 P631 | Y500-V571 HydrophobicContact CD1-CB 4.43Å; Y500-V571 HydrophobicContact CD1-CG2 4.48Å; P569-V571 PolarHBondContact O-N 3.02Å; V571-V574 HydrophobicContact CB-CG2 4.2Å; V571-V574 HydrophobicContact CG1-CG2 3.49Å; V571-V574 VanDerWaalsContact CG1-CG2 3.49Å; V571-P631 HydrophobicContact CG1-CG 4.46Å | ||
| 572 | P | 69.6 | Low | 78 | Confident | 87 Ų | 87 | 53.1 Ų | 53.1 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -65.8 | 154.2 | -179.5 | 27.4 | -33.3 | 0 | 0 | 0 | 111.4 | Y570 V574 | Y570-P572 WeakPolarHBondContact O-CD 3.14Å; P572-V574 PolarHBondContact O-N 3.28Å |
| 573 | D | 76.9 | Confident | 79.1 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 65.7 | -15.4 | 168.4 | -50.5 | -35.3 | 0 | 0 | 0 | 118.4 | L575 F576 W577 | D573-L575 PolarHBondContact O-N 2.96Å; D573-F576 PolarHBondContact O-N 3.44Å; D573-W577 VanDerWaalsContact O-CB 3.31Å; D573-W577 WeakPolarHBondContact O-CB 3.45Å; D573-W577 PolarHBondContact O-N 3.25Å |
| 574 | V | 84.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -44.9 | -179 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | Y500 V571 P572 W577 C578 I630 P631 | Y500-V574 HydrophobicContact CD1-CB 4.45Å; Y500-V574 HydrophobicContact CD1-CG1 4.11Å; Y500-V574 HydrophobicContact CD2-CG1 4.22Å; Y500-V574 HydrophobicContact CE1-CG1 4.36Å; Y500-V574 HydrophobicContact CE2-CG1 4.48Å; Y500-V574 HydrophobicContact CG-CG1 4.02Å; V571-V574 HydrophobicContact CB-CG2 4.2Å; V571-V574 HydrophobicContact CG1-CG2 3.49Å; V571-V574 VanDerWaalsContact CG1-CG2 3.49Å; P572-V574 PolarHBondContact O-N 3.28Å; V574-W577 PolarHBondContact O-N 3.14Å; V574-C578 WeakPolarHBondContact O-CB 3.32Å; V574-C578 PolarHBondContact O-N 3.38Å; V574-C578 PolarHBondContact O-SG 2.91Å; V574-I630 HydrophobicContact CG2-CG2 4.38Å; V574-P631 HydrophobicContact CG2-CG 4.03Å |
| 575 | L | 85.5 | Confident | 81.4 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -49.2 | -179.3 | 179.4 | 59 | 0 | 0 | 0 | 111.9 | G497 D573 W577 C578 V579 | G497-L575 VanDerWaalsContact CA-CD1 3.45Å; D573-L575 PolarHBondContact O-N 2.96Å; L575-W577 VanDerWaalsContact C-N 3.29Å; L575-W577 PolarHBondContact O-N 3.41Å; L575-C578 PolarHBondContact O-N 3.05Å; L575-V579 HydrophobicContact CD1-CG2 4.4Å; L575-V579 WeakPolarHBondContact O-CG2 3.11Å; L575-V579 PolarHBondContact O-N 3.45Å |
| 576 | F | 88.1 | Confident | 82.5 | Confident | 124 Ų | 124 | 55.7 Ų | 55.7 | 54% | 0.544 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 178.9 | -66.5 | -64.7 | 0 | 0 | 0 | 111 | D573 C578 V579 I580 | D573-F576 PolarHBondContact O-N 3.44Å; F576-C578 PolarHBondContact O-N 3.43Å; F576-V579 PolarHBondContact O-N 2.87Å; F576-I580 VanDerWaalsContact O-CG1 3.25Å; F576-I580 WeakPolarHBondContact O-CG1 3.36Å; F576-I580 PolarHBondContact O-N 3.49Å |
| 577 | W | 90.5 | Very high | 83.9 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 9% | 0.087 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 175.6 | -173.4 | -121.4 | 0 | 0 | 0 | 112.6 | D573 V574 L575 V579 I580 L581 V624 D625 L628 I630 | D573-W577 VanDerWaalsContact O-CB 3.31Å; D573-W577 WeakPolarHBondContact O-CB 3.45Å; D573-W577 PolarHBondContact O-N 3.25Å; V574-W577 PolarHBondContact O-N 3.14Å; L575-W577 VanDerWaalsContact C-N 3.29Å; L575-W577 PolarHBondContact O-N 3.41Å; W577-V579 PolarHBondContact O-N 3.02Å; W577-I580 HydrophobicContact CE3-CB 4.44Å; W577-I580 HydrophobicContact CE3-CD1 4.43Å; W577-I580 HydrophobicContact CE3-CG2 4.41Å; W577-I580 HydrophobicContact CZ3-CG2 3.99Å; W577-I580 PolarHBondContact O-N 2.68Å; W577-L581 HydrophobicContact CD2-CD1 4.5Å; W577-L581 HydrophobicContact CD2-CG 4.33Å; W577-L581 HydrophobicContact CH2-CD2 4.09Å; W577-L581 HydrophobicContact CH2-CG 4.35Å; W577-L581 HydrophobicContact CZ2-CD1 4.08Å; W577-L581 HydrophobicContact CZ2-CD2 3.61Å; W577-L581 HydrophobicContact CZ2-CG 3.77Å; W577-L581 WeakPolarHBondContact O-CG 3.42Å; W577-L581 PolarHBondContact O-N 3.11Å; W577-V624 HydrophobicContact CH2-CG1 3.63Å; W577-V624 HydrophobicContact CZ2-CG1 3.96Å; W577-D625 PolarHBondContact NE1-OD1 3.35Å; W577-L628 HydrophobicContact CE3-CD1 4.07Å; W577-L628 HydrophobicContact CH2-CD1 3.15Å; W577-L628 HydrophobicContact CH2-CG 4.4Å; W577-L628 HydrophobicContact CZ2-CD1 3.6Å; W577-L628 HydrophobicContact CZ3-CD1 3.38Å; W577-I630 HydrophobicContact CB-CD1 4.16Å; W577-I630 HydrophobicContact CB-CG2 4.11Å; W577-I630 HydrophobicContact CD2-CD1 3.87Å; W577-I630 HydrophobicContact CE3-CD1 4.19Å; W577-I630 HydrophobicContact CG-CB 4.19Å; W577-I630 HydrophobicContact CG-CD1 3.81Å; W577-I630 HydrophobicContact CG-CG2 4.05Å |
| 578 | C | 89.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 176.4 | -67.3 | 0 | 0 | 0 | 0 | 112.4 | L496 V574 L575 F576 L581 F582 P633 P785 | L496-C578 HydrophobicContact CD2-CB 3.6Å; L496-C578 VanDerWaalsContact CD2-SG 3.59Å; V574-C578 WeakPolarHBondContact O-CB 3.32Å; V574-C578 PolarHBondContact O-N 3.38Å; V574-C578 PolarHBondContact O-SG 2.91Å; L575-C578 PolarHBondContact O-N 3.05Å; F576-C578 PolarHBondContact O-N 3.43Å; C578-L581 PolarHBondContact O-N 3.38Å; C578-F582 VanDerWaalsContact O-CB 3.28Å; C578-F582 WeakPolarHBondContact O-CB 3.42Å; C578-F582 PolarHBondContact O-N 2.85Å; C578-P633 VanDerWaalsContact SG-CD 3.56Å; C578-P785 HydrophobicContact CB-CB 4.12Å; C578-P785 HydrophobicContact CB-CG 3.66Å; C578-P785 WeakPolarHBondContact O-CB 3.34Å; C578-P785 VanDerWaalsContact SG-CG 3.58Å |
| 579 | V | 91.5 | Very high | 86.3 | Confident | 49 Ų | 49 | 49 Ų | 49 | 30% | 0.297 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 176.4 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L493 L575 F576 W577 F582 F583 | L493-V579 HydrophobicContact CD1-CG2 4.2Å; L575-V579 HydrophobicContact CD1-CG2 4.4Å; L575-V579 WeakPolarHBondContact O-CG2 3.11Å; L575-V579 PolarHBondContact O-N 3.45Å; F576-V579 PolarHBondContact O-N 2.87Å; W577-V579 PolarHBondContact O-N 3.02Å; V579-F582 PolarHBondContact O-N 3.02Å; V579-F583 HydrophobicContact CG1-CD2 3.72Å; V579-F583 HydrophobicContact CG1-CE2 3.83Å; V579-F583 WeakPolarHBondContact O-CD2 3.41Å; V579-F583 PolarHBondContact O-N 3.07Å |
| 580 | I | 93 | Very high | 87.2 | Confident | 94 Ų | 94 | 48.3 Ų | 48.3 | 48% | 0.482 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.5 | -50.7 | 176.1 | -70.1 | 164.7 | 0 | 0 | 0 | 110.4 | F576 W577 F582 S584 | F576-I580 VanDerWaalsContact O-CG1 3.25Å; F576-I580 WeakPolarHBondContact O-CG1 3.36Å; F576-I580 PolarHBondContact O-N 3.49Å; W577-I580 HydrophobicContact CE3-CB 4.44Å; W577-I580 HydrophobicContact CE3-CD1 4.43Å; W577-I580 HydrophobicContact CE3-CG2 4.41Å; W577-I580 HydrophobicContact CZ3-CG2 3.99Å; W577-I580 PolarHBondContact O-N 2.68Å; I580-F582 VanDerWaalsContact C-N 3.3Å; I580-F582 PolarHBondContact O-N 2.97Å; I580-S584 WeakPolarHBondContact O-CB 3.31Å; I580-S584 PolarHBondContact O-N 3.09Å |
| 581 | L | 91.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 177.7 | -77.1 | 177.7 | 0 | 0 | 0 | 111.9 | W577 C578 T585 M621 D625 P783 P785 V786 | W577-L581 HydrophobicContact CD2-CD1 4.5Å; W577-L581 HydrophobicContact CD2-CG 4.33Å; W577-L581 HydrophobicContact CH2-CD2 4.09Å; W577-L581 HydrophobicContact CH2-CG 4.35Å; W577-L581 HydrophobicContact CZ2-CD1 4.08Å; W577-L581 HydrophobicContact CZ2-CD2 3.61Å; W577-L581 HydrophobicContact CZ2-CG 3.77Å; W577-L581 WeakPolarHBondContact O-CG 3.42Å; W577-L581 PolarHBondContact O-N 3.11Å; C578-L581 PolarHBondContact O-N 3.38Å; L581-T585 VanDerWaalsContact O-CB 3.29Å; L581-T585 WeakPolarHBondContact O-CB 3.47Å; L581-T585 PolarHBondContact O-N 2.94Å; L581-T585 PolarHBondContact O-OG1 2.89Å; L581-M621 HydrophobicContact CD2-CB 4.37Å; L581-M621 HydrophobicContact CD2-SD 4.27Å; L581-D625 HydrophobicContact CD1-CB 4.28Å; L581-P783 HydrophobicContact CD1-CB 4.42Å; L581-P783 HydrophobicContact CD1-CG 4.28Å; L581-P785 HydrophobicContact CB-CB 4.26Å; L581-V786 HydrophobicContact CB-CG2 4.13Å; L581-V786 HydrophobicContact CD1-CG2 4.42Å; L581-V786 HydrophobicContact CD2-CG2 4.18Å; L581-V786 HydrophobicContact CG-CG2 4.5Å |
| 582 | F | 92.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.6 | -56.9 | 179.4 | 177.7 | -92.6 | 0 | 0 | 0 | 112.1 | L490 L493 C578 V579 I580 T585 V586 Y788 L792 | L490-F582 HydrophobicContact CD2-CE1 4.36Å; L490-F582 HydrophobicContact CD2-CZ 4.28Å; L493-F582 HydrophobicContact CD1-CB 4.26Å; L493-F582 HydrophobicContact CD1-CD2 4.49Å; L493-F582 HydrophobicContact CD1-CG 4.3Å; L493-F582 HydrophobicContact CD2-CD1 3.69Å; L493-F582 HydrophobicContact CD2-CD2 4.39Å; L493-F582 HydrophobicContact CD2-CE1 3.88Å; L493-F582 HydrophobicContact CD2-CG 3.97Å; L493-F582 HydrophobicContact CD2-CZ 4.3Å; C578-F582 VanDerWaalsContact O-CB 3.28Å; C578-F582 WeakPolarHBondContact O-CB 3.42Å; C578-F582 PolarHBondContact O-N 2.85Å; V579-F582 PolarHBondContact O-N 3.02Å; I580-F582 VanDerWaalsContact C-N 3.3Å; I580-F582 PolarHBondContact O-N 2.97Å; F582-T585 PolarHBondContact O-N 2.81Å; F582-V586 PolarHBondContact O-N 2.74Å; F582-Y788 WeakPolarHBondContact CE2-O 3.28Å; F582-L792 HydrophobicContact CE1-CD2 3.5Å; F582-L792 HydrophobicContact CE2-CB 4.4Å; F582-L792 HydrophobicContact CZ-CB 3.92Å; F582-L792 HydrophobicContact CZ-CD2 3.48Å; F582-L792 VanDerWaalsContact CZ-CD2 3.48Å; F582-L792 HydrophobicContact CZ-CG 4.2Å |
| 583 | F | 94.3 | Very high | 89.8 | Confident | 105 Ų | 105 | 48.1 Ų | 48.1 | 46% | 0.461 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.5 | -36.8 | -177.6 | -76.1 | -68.4 | 0 | 0 | 0 | 112.7 | V579 T585 V586 V587 | V579-F583 HydrophobicContact CG1-CD2 3.72Å; V579-F583 HydrophobicContact CG1-CE2 3.83Å; V579-F583 WeakPolarHBondContact O-CD2 3.41Å; V579-F583 PolarHBondContact O-N 3.07Å; F583-T585 VanDerWaalsContact C-N 3.28Å; F583-T585 PolarHBondContact O-N 3.41Å; F583-V586 PolarHBondContact O-N 3.45Å; F583-V586 VanDerWaalsContact O-N 3.17Å; F583-V587 WeakPolarHBondContact O-CG2 3.43Å; F583-V587 PolarHBondContact O-N 3.48Å |
| 584 | S | 93.9 | Very high | 90.1 | Very high | 46 Ų | 46 | 48.5 Ų | 48.5 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63 | -37.3 | 177.3 | -167.7 | 0 | 0 | 0 | 0 | 111.6 | I580 V586 V587 M588 M621 | I580-S584 WeakPolarHBondContact O-CB 3.31Å; I580-S584 PolarHBondContact O-N 3.09Å; S584-V586 PolarHBondContact O-N 3.31Å; S584-V587 PolarHBondContact O-N 3.27Å; S584-M588 WeakPolarHBondContact O-CB 3.36Å; S584-M588 PolarHBondContact O-N 2.62Å; S584-M621 WeakPolarHBondContact OG-CE 3.49Å |
| 585 | T | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 173.7 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | L581 F582 F583 S589 T617 V786 V790 | L581-T585 VanDerWaalsContact O-CB 3.29Å; L581-T585 WeakPolarHBondContact O-CB 3.47Å; L581-T585 PolarHBondContact O-N 2.94Å; L581-T585 PolarHBondContact O-OG1 2.89Å; F582-T585 PolarHBondContact O-N 2.81Å; F583-T585 VanDerWaalsContact C-N 3.28Å; F583-T585 PolarHBondContact O-N 3.41Å; T585-S589 VanDerWaalsContact O-CB 3.28Å; T585-S589 WeakPolarHBondContact O-CB 3.43Å; T585-S589 PolarHBondContact O-N 2.56Å; T585-S589 PolarHBondContact O-OG 3.14Å; T585-T617 HydrophobicContact CG2-CG2 3.86Å; T585-T617 WeakPolarHBondContact O-CG2 3.44Å; T585-V786 HydrophobicContact CG2-CG1 4.1Å; T585-V790 HydrophobicContact CG2-CG2 3.63Å |
| 586 | V | 92.1 | Very high | 89.6 | Confident | 28 Ų | 28 | 49.9 Ų | 49.9 | 17% | 0.17 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.8 | -50 | 178.7 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | F582 F583 S584 S589 A590 G789 L792 | F582-V586 PolarHBondContact O-N 2.74Å; F583-V586 PolarHBondContact O-N 3.45Å; F583-V586 VanDerWaalsContact O-N 3.17Å; S584-V586 PolarHBondContact O-N 3.31Å; V586-S589 PolarHBondContact O-N 2.79Å; V586-A590 WeakPolarHBondContact O-CB 3.34Å; V586-A590 PolarHBondContact O-N 3.3Å; V586-G789 VanDerWaalsContact CG2-O 3.23Å; V586-G789 WeakPolarHBondContact CG2-O 3.31Å; V586-L792 HydrophobicContact CG2-CB 4.07Å; V586-L792 HydrophobicContact CG2-CD2 3.78Å; V586-L792 HydrophobicContact CG2-CG 4.25Å |
| 587 | V | 93.7 | Very high | 88.9 | Confident | 100 Ų | 100 | 50.5 Ų | 50.5 | 61% | 0.606 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.8 | -45.8 | -178.3 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | F583 S584 S589 A590 F591 | F583-V587 WeakPolarHBondContact O-CG2 3.43Å; F583-V587 PolarHBondContact O-N 3.48Å; S584-V587 PolarHBondContact O-N 3.27Å; V587-S589 PolarHBondContact O-N 2.86Å; V587-A590 PolarHBondContact O-N 3.48Å; V587-F591 WeakPolarHBondContact O-CB 3.3Å; V587-F591 PolarHBondContact O-N 2.82Å |
| 588 | M | 93.1 | Very high | 88.4 | Confident | 68 Ų | 68 | 50.7 Ų | 50.7 | 34% | 0.335 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 178.3 | -174.7 | 65.7 | 70.5 | 0 | 0 | 111.7 | S584 F591 L592 T617 M621 | S584-M588 WeakPolarHBondContact O-CB 3.36Å; S584-M588 PolarHBondContact O-N 2.62Å; M588-F591 PolarHBondContact O-N 2.67Å; M588-L592 HydrophobicContact CG-CD1 4.03Å; M588-L592 HydrophobicContact CG-CG 4.42Å; M588-L592 WeakPolarHBondContact O-CB 3.27Å; M588-L592 WeakPolarHBondContact O-CG 3.06Å; M588-L592 PolarHBondContact O-N 3.1Å; M588-L592 HydrophobicContact SD-CD1 4.23Å; M588-L592 HydrophobicContact SD-CG 4.22Å; M588-T617 HydrophobicContact CB-CG2 3.72Å; M588-T617 HydrophobicContact CG-CG2 3.8Å; M588-M621 HydrophobicContact CB-CE 4.16Å; M588-M621 HydrophobicContact CE-CE 4.34Å; M588-M621 HydrophobicContact CG-CE 4.43Å |
| 589 | S | 89.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 177.5 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | T585 V586 V587 K593 T617 | T585-S589 VanDerWaalsContact O-CB 3.28Å; T585-S589 WeakPolarHBondContact O-CB 3.43Å; T585-S589 PolarHBondContact O-N 2.56Å; T585-S589 PolarHBondContact O-OG 3.14Å; V586-S589 PolarHBondContact O-N 2.79Å; V587-S589 PolarHBondContact O-N 2.86Å; S589-K593 WeakPolarHBondContact O-CB 3.44Å; S589-K593 PolarHBondContact O-N 3.22Å; S589-K593 VanDerWaalsContact O-N 3.12Å; S589-T617 WeakPolarHBondContact OG-CG2 3.43Å; S589-T617 PolarHBondContact OG-OG1 3.01Å |
| 590 | A | 88.9 | Confident | 87.3 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -49 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V586 V587 K593 E594 Y793 | V586-A590 WeakPolarHBondContact O-CB 3.34Å; V586-A590 PolarHBondContact O-N 3.3Å; V587-A590 PolarHBondContact O-N 3.48Å; A590-K593 PolarHBondContact O-N 2.89Å; A590-K593 VanDerWaalsContact O-N 3.15Å; A590-E594 WeakPolarHBondContact O-CG 3.29Å; A590-E594 PolarHBondContact O-N 3.47Å; A590-Y793 HydrophobicContact CB-CE2 4.37Å |
| 591 | F | 91 | Very high | 86.8 | Confident | 123 Ų | 123 | 66 Ų | 66 | 54% | 0.539 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 179.5 | 179.3 | -100.2 | 0 | 0 | 0 | 112.6 | V587 M588 K593 E594 F595 | V587-F591 WeakPolarHBondContact O-CB 3.3Å; V587-F591 PolarHBondContact O-N 2.82Å; M588-F591 PolarHBondContact O-N 2.67Å; F591-K593 PolarHBondContact O-N 3.03Å; F591-E594 PolarHBondContact O-N 3.21Å; F591-F595 PolarHBondContact O-N 2.95Å |
| 592 | L | 88.8 | Confident | 86.2 | Confident | 21 Ų | 21 | 70 Ų | 70 | 11% | 0.11 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.3 | -27.9 | 177.5 | -71.3 | 176.7 | 0 | 0 | 0 | 112.2 | M588 F595 I609 A613 I616 | M588-L592 HydrophobicContact CG-CD1 4.03Å; M588-L592 HydrophobicContact CG-CG 4.42Å; M588-L592 WeakPolarHBondContact O-CB 3.27Å; M588-L592 WeakPolarHBondContact O-CG 3.06Å; M588-L592 PolarHBondContact O-N 3.1Å; M588-L592 HydrophobicContact SD-CD1 4.23Å; M588-L592 HydrophobicContact SD-CG 4.22Å; L592-F595 VanDerWaalsContact O-CB 3.27Å; L592-F595 WeakPolarHBondContact O-CB 3.33Å; L592-I609 HydrophobicContact CD2-CG2 3.95Å; L592-A613 HydrophobicContact CB-CB 3.52Å; L592-A613 WeakPolarHBondContact CD1-O 3.44Å; L592-I616 HydrophobicContact CD1-CB 4.31Å; L592-I616 HydrophobicContact CD1-CG2 4.03Å |
| 593 | K | 83.8 | Confident | 85.4 | Confident | 61 Ų | 61 | 74.8 Ų | 74.8 | 27% | 0.265 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -75.2 | -43.8 | 174.1 | -155.4 | 76.5 | -167.8 | 168.3 | 0 | 112 | S589 A590 F591 F595 K596 S610 A613 Y793 | S589-K593 WeakPolarHBondContact O-CB 3.44Å; S589-K593 PolarHBondContact O-N 3.22Å; S589-K593 VanDerWaalsContact O-N 3.12Å; A590-K593 PolarHBondContact O-N 2.89Å; A590-K593 VanDerWaalsContact O-N 3.15Å; F591-K593 PolarHBondContact O-N 3.03Å; K593-F595 PolarHBondContact O-N 3.32Å; K593-K596 VanDerWaalsContact O-CB 3.3Å; K593-K596 WeakPolarHBondContact O-CB 3.41Å; K593-K596 PolarHBondContact O-N 3.27Å; K593-S610 PolarHBondContact NZ-O 3.49Å; K593-S610 PolarHBondContact O-OG 3.12Å; K593-A613 HydrophobicContact CD-CB 4.37Å; K593-Y793 WeakPolarHBondContact CB-OH 3.35Å; K593-Y793 WeakPolarHBondContact CG-OH 3.3Å |
| 594 | E | 83.6 | Confident | 84.4 | Confident | 113 Ų | 113 | 76.7 Ų | 76.7 | 53% | 0.528 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.3 | -22.4 | 175.8 | -73.5 | -178.3 | 178.3 | 0 | 0 | 113.3 | A590 F591 K596 F597 | A590-E594 WeakPolarHBondContact O-CG 3.29Å; A590-E594 PolarHBondContact O-N 3.47Å; F591-E594 PolarHBondContact O-N 3.21Å; E594-K596 PolarHBondContact O-N 2.97Å; E594-F597 PolarHBondContact O-N 2.96Å |
| 595 | F | 82.9 | Confident | 83.9 | Confident | 28 Ų | 28 | 77.4 Ų | 77.4 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -51.2 | -26.4 | 170.4 | -163.4 | -102.1 | 0 | 0 | 0 | 112.4 | F591 L592 K593 F597 S598 F601 R606 I609 | F591-F595 PolarHBondContact O-N 2.95Å; L592-F595 VanDerWaalsContact O-CB 3.27Å; L592-F595 WeakPolarHBondContact O-CB 3.33Å; K593-F595 PolarHBondContact O-N 3.32Å; F595-F597 PolarHBondContact O-N 3.25Å; F595-F597 VanDerWaalsContact O-N 3.15Å; F595-S598 VanDerWaalsContact O-CB 3.26Å; F595-S598 WeakPolarHBondContact O-CB 3.41Å; F595-S598 PolarHBondContact O-N 3.42Å; F595-F601 HydrophobicContact CE1-CB 4.29Å; F595-F601 AromaticContact CE1-CD2 3.89Å; F595-F601 HydrophobicContact CE1-CD2 3.89Å; F595-F601 HydrophobicContact CE1-CE2 4.43Å; F595-F601 HydrophobicContact CE1-CG 4.09Å; F595-F601 AromaticContact CE2-CD2 3.62Å; F595-F601 HydrophobicContact CE2-CD2 3.62Å; F595-F601 AromaticContact CE2-CE2 3.57Å; F595-F601 HydrophobicContact CE2-CE2 3.57Å; F595-F601 HydrophobicContact CE2-CZ 4.49Å; F595-F601 HydrophobicContact CZ-CB 4.27Å; F595-F601 HydrophobicContact CZ-CD1 4.3Å; F595-F601 AromaticContact CZ-CD2 3.05Å; F595-F601 HydrophobicContact CZ-CD2 3.05Å; F595-F601 HydrophobicContact CZ-CE1 4.45Å; F595-F601 AromaticContact CZ-CE2 3.26Å; F595-F601 HydrophobicContact CZ-CE2 3.26Å; F595-F601 AromaticContact CZ-CG 3.62Å; F595-F601 HydrophobicContact CZ-CG 3.62Å; F595-F601 AromaticContact CZ-CZ 3.98Å; F595-F601 HydrophobicContact CZ-CZ 3.98Å; F595-R606 HydrophobicContact CD1-CG 4.14Å; F595-R606 HydrophobicContact CE1-CG 4.49Å; F595-R606 VanDerWaalsContact O-CD 3.29Å; F595-R606 WeakPolarHBondContact O-CD 3.41Å; F595-R606 WeakPolarHBondContact O-CG 3.38Å; F595-I609 HydrophobicContact CD1-CB 4.13Å; F595-I609 HydrophobicContact CD1-CG2 3.84Å; F595-I609 HydrophobicContact CE1-CB 4.21Å; F595-I609 HydrophobicContact CE1-CD1 3.77Å; F595-I609 HydrophobicContact CE1-CG2 4.12Å; F595-I609 HydrophobicContact CG-CG2 4.44Å; F595-I609 HydrophobicContact CZ-CD1 4.29Å |
| 596 | K | 75.9 | Confident | 83.3 | Confident | 31 Ų | 31 | 80 Ų | 80 | 14% | 0.135 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -54.7 | -28.2 | 172.4 | -164.5 | 173.9 | -180 | -179.5 | 0 | 114.3 | K593 E594 R606 S610 E740 | K593-K596 VanDerWaalsContact O-CB 3.3Å; K593-K596 WeakPolarHBondContact O-CB 3.41Å; K593-K596 PolarHBondContact O-N 3.27Å; E594-K596 PolarHBondContact O-N 2.97Å; K596-R606 WeakPolarHBondContact O-CD 3.41Å; K596-R606 PolarHBondContact O-NE 3.41Å; K596-R606 PolarHBondContact O-NH1 2.98Å; K596-R606 PolarHBondContact O-NH2 3.07Å; K596-S610 WeakPolarHBondContact CB-OG 3.49Å; K596-E740 WeakPolarHBondContact CE-OE2 3.11Å; K596-E740 IonicContact NZ-OE1 2.79Å; K596-E740 PolarHBondContact NZ-OE1 3.35Å; K596-E740 IonicContact NZ-OE2 3.1Å; K596-E740 PolarHBondContact NZ-OE2 2.88Å |
| 597 | F | 74.7 | Confident | 82.6 | Confident | 136 Ų | 136 | 80.7 Ų | 80.7 | 60% | 0.596 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -101.5 | -1.3 | -179.3 | -56.3 | -69.8 | 0 | 0 | 0 | 112.8 | E594 F595 | E594-F597 PolarHBondContact O-N 2.96Å; F595-F597 PolarHBondContact O-N 3.25Å; F595-F597 VanDerWaalsContact O-N 3.15Å |
| 598 | S | 78.6 | Confident | 82 | Confident | 27 Ų | 27 | 79.4 Ų | 79.4 | 19% | 0.189 | 39% | 0.392 | C | S | . | . | trans | -68 | 147.4 | 178 | -169.7 | 0 | 0 | 0 | 0 | 111.7 | F595 Y600 R606 | F595-S598 VanDerWaalsContact O-CB 3.26Å; F595-S598 WeakPolarHBondContact O-CB 3.41Å; F595-S598 PolarHBondContact O-N 3.42Å; S598-Y600 WeakPolarHBondContact OG-CD2 3.31Å; S598-R606 WeakPolarHBondContact O-CD 3.47Å; S598-R606 PolarHBondContact O-NH1 3.49Å; S598-R606 VanDerWaalsContact O-NH1 3.16Å | ||
| 599 | N | 78.1 | Confident | 81.6 | Confident | 154 Ų | 154 | 78.2 Ų | 78.2 | 82% | 0.824 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -95.6 | -4.7 | 178.6 | -64.8 | -26.7 | 0 | 0 | 0 | 113.1 | ||
| 600 | Y | 80.6 | Confident | 81.2 | Confident | 208 Ų | 208 | 78.2 Ų | 78.2 | 82% | 0.816 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -78.9 | -17.6 | -171.4 | -63.5 | -66 | 0 | 0 | 0 | 114.7 | S598 | S598-Y600 WeakPolarHBondContact OG-CD2 3.31Š|
| 601 | F | 81.6 | Confident | 80.9 | Confident | 104 Ų | 104 | 78.2 Ų | 78.2 | 46% | 0.456 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -126.5 | 155.4 | -173 | -72.1 | -93.3 | 0 | 0 | 0 | 113.3 | F595 V605 | F595-F601 HydrophobicContact CE1-CB 4.29Å; F595-F601 AromaticContact CE1-CD2 3.89Å; F595-F601 HydrophobicContact CE1-CD2 3.89Å; F595-F601 HydrophobicContact CE1-CE2 4.43Å; F595-F601 HydrophobicContact CE1-CG 4.09Å; F595-F601 AromaticContact CE2-CD2 3.62Å; F595-F601 HydrophobicContact CE2-CD2 3.62Å; F595-F601 AromaticContact CE2-CE2 3.57Å; F595-F601 HydrophobicContact CE2-CE2 3.57Å; F595-F601 HydrophobicContact CE2-CZ 4.49Å; F595-F601 HydrophobicContact CZ-CB 4.27Å; F595-F601 HydrophobicContact CZ-CD1 4.3Å; F595-F601 AromaticContact CZ-CD2 3.05Å; F595-F601 HydrophobicContact CZ-CD2 3.05Å; F595-F601 HydrophobicContact CZ-CE1 4.45Å; F595-F601 AromaticContact CZ-CE2 3.26Å; F595-F601 HydrophobicContact CZ-CE2 3.26Å; F595-F601 AromaticContact CZ-CG 3.62Å; F595-F601 HydrophobicContact CZ-CG 3.62Å; F595-F601 AromaticContact CZ-CZ 3.98Å; F595-F601 HydrophobicContact CZ-CZ 3.98Å; F601-V605 HydrophobicContact CD1-CG1 4.39Å |
| 602 | P | 81 | Confident | 80.6 | Confident | 85 Ų | 85 | 74.1 Ų | 74.1 | 55% | 0.552 | 36% | 0.364 | S | S | * | . | trans | -57.1 | 143.9 | 172.9 | -22.5 | 32.8 | 0 | 0 | 0 | 112.2 | K604 V605 R606 | P602-K604 VanDerWaalsContact C-N 3.27Å; P602-K604 PolarHBondContact O-N 3.29Å; P602-K604 VanDerWaalsContact O-N 3.14Å; P602-V605 HydrophobicContact CB-CG2 4.46Å; P602-V605 PolarHBondContact O-N 3.07Å; P602-V605 VanDerWaalsContact O-N 3.07Å; P602-R606 WeakPolarHBondContact O-CB 3.01Å; P602-R606 PolarHBondContact O-N 2.83Å | ||
| 603 | T | 73.9 | Confident | 80.5 | Confident | 99 Ų | 99 | 73.1 Ų | 73.1 | 61% | 0.607 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -52.7 | -40.1 | -175.4 | 52 | 0 | 0 | 0 | 0 | 113.6 | S607 | T603-S607 WeakPolarHBondContact O-CB 3.21Å; T603-S607 PolarHBondContact O-N 3.28Å |
| 604 | K | 74.4 | Confident | 80.5 | Confident | 146 Ų | 146 | 70.7 Ų | 70.7 | 64% | 0.635 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64 | -48.6 | 177.1 | -71 | -170.7 | 176.5 | -179.4 | 0 | 113.1 | P602 R606 S607 I608 | P602-K604 VanDerWaalsContact C-N 3.27Å; P602-K604 PolarHBondContact O-N 3.29Å; P602-K604 VanDerWaalsContact O-N 3.14Å; K604-R606 VanDerWaalsContact C-N 3.31Å; K604-R606 PolarHBondContact O-N 3.23Å; K604-S607 PolarHBondContact O-N 3.24Å; K604-I608 VanDerWaalsContact O-CG1 3.28Å; K604-I608 WeakPolarHBondContact O-CG1 3.42Å; K604-I608 PolarHBondContact O-N 2.66Å |
| 605 | V | 81.9 | Confident | 80.7 | Confident | 61 Ų | 61 | 68.1 Ų | 68.1 | 37% | 0.37 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | -179.9 | 176.7 | 0 | 0 | 0 | 0 | 109.9 | F601 P602 S607 I608 I609 | F601-V605 HydrophobicContact CD1-CG1 4.39Å; P602-V605 HydrophobicContact CB-CG2 4.46Å; P602-V605 PolarHBondContact O-N 3.07Å; P602-V605 VanDerWaalsContact O-N 3.07Å; V605-S607 PolarHBondContact O-N 3.47Å; V605-I608 PolarHBondContact O-N 3.15Å; V605-I609 HydrophobicContact CG1-CD1 3.69Å; V605-I609 HydrophobicContact CG1-CG1 4.39Å; V605-I609 WeakPolarHBondContact O-CG1 3.46Å; V605-I609 PolarHBondContact O-N 2.87Å |
| 606 | R | 81.7 | Confident | 81 | Confident | 53 Ų | 53 | 69.6 Ų | 69.6 | 20% | 0.2 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 177.5 | -171.7 | -177.4 | 68.1 | 153 | 8.5 | 112.9 | F595 K596 S598 P602 K604 S610 | F595-R606 HydrophobicContact CD1-CG 4.14Å; F595-R606 HydrophobicContact CE1-CG 4.49Å; F595-R606 VanDerWaalsContact O-CD 3.29Å; F595-R606 WeakPolarHBondContact O-CD 3.41Å; F595-R606 WeakPolarHBondContact O-CG 3.38Å; K596-R606 WeakPolarHBondContact O-CD 3.41Å; K596-R606 PolarHBondContact O-NE 3.41Å; K596-R606 PolarHBondContact O-NH1 2.98Å; K596-R606 PolarHBondContact O-NH2 3.07Å; S598-R606 WeakPolarHBondContact O-CD 3.47Å; S598-R606 PolarHBondContact O-NH1 3.49Å; S598-R606 VanDerWaalsContact O-NH1 3.16Å; P602-R606 WeakPolarHBondContact O-CB 3.01Å; P602-R606 PolarHBondContact O-N 2.83Å; K604-R606 VanDerWaalsContact C-N 3.31Å; K604-R606 PolarHBondContact O-N 3.23Å; R606-S610 WeakPolarHBondContact O-CB 3.34Å; R606-S610 PolarHBondContact O-N 3.08Å; R606-S610 VanDerWaalsContact O-N 3.1Å |
| 607 | S | 75.7 | Confident | 81.7 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 31% | 0.308 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.4 | -48.6 | 175.9 | -163.8 | 0 | 0 | 0 | 0 | 111.2 | T603 K604 V605 I609 S610 D611 | T603-S607 WeakPolarHBondContact O-CB 3.21Å; T603-S607 PolarHBondContact O-N 3.28Å; K604-S607 PolarHBondContact O-N 3.24Å; V605-S607 PolarHBondContact O-N 3.47Å; S607-I609 PolarHBondContact O-N 3.39Å; S607-S610 PolarHBondContact O-N 2.88Å; S607-D611 WeakPolarHBondContact O-CB 3.41Å; S607-D611 PolarHBondContact O-N 3.42Å; S607-D611 PolarHBondContact OG-OD2 3.33Å |
| 608 | I | 81.8 | Confident | 82.4 | Confident | 72 Ų | 72 | 62 Ų | 62 | 37% | 0.369 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.1 | -48.3 | -179.7 | -68.1 | 168.8 | 0 | 0 | 0 | 110.8 | L356 K604 V605 S610 D611 F612 | L356-I608 HydrophobicContact CD2-CD1 3.93Å; L356-I608 HydrophobicContact CD2-CG1 4.04Å; K604-I608 VanDerWaalsContact O-CG1 3.28Å; K604-I608 WeakPolarHBondContact O-CG1 3.42Å; K604-I608 PolarHBondContact O-N 2.66Å; V605-I608 PolarHBondContact O-N 3.15Å; I608-S610 VanDerWaalsContact C-N 3.33Å; I608-S610 PolarHBondContact O-N 3.4Å; I608-D611 PolarHBondContact O-N 2.86Å; I608-F612 HydrophobicContact CG2-CD2 3.83Å; I608-F612 HydrophobicContact CG2-CE2 4.1Å; I608-F612 VanDerWaalsContact O-CD2 3.31Å; I608-F612 WeakPolarHBondContact O-CD2 3.39Å; I608-F612 PolarHBondContact O-N 3.03Å |
| 609 | I | 85 | Confident | 82.9 | Confident | 44 Ų | 44 | 65.7 Ų | 65.7 | 23% | 0.226 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 179.9 | -69.5 | 172.4 | 0 | 0 | 0 | 111.2 | L592 F595 V605 S607 D611 F612 A613 | L592-I609 HydrophobicContact CD2-CG2 3.95Å; F595-I609 HydrophobicContact CD1-CB 4.13Å; F595-I609 HydrophobicContact CD1-CG2 3.84Å; F595-I609 HydrophobicContact CE1-CB 4.21Å; F595-I609 HydrophobicContact CE1-CD1 3.77Å; F595-I609 HydrophobicContact CE1-CG2 4.12Å; F595-I609 HydrophobicContact CG-CG2 4.44Å; F595-I609 HydrophobicContact CZ-CD1 4.29Å; V605-I609 HydrophobicContact CG1-CD1 3.69Å; V605-I609 HydrophobicContact CG1-CG1 4.39Å; V605-I609 WeakPolarHBondContact O-CG1 3.46Å; V605-I609 PolarHBondContact O-N 2.87Å; S607-I609 PolarHBondContact O-N 3.39Å; I609-D611 VanDerWaalsContact C-N 3.35Å; I609-F612 PolarHBondContact O-N 3.3Å; I609-A613 WeakPolarHBondContact O-CA 3.31Å; I609-A613 PolarHBondContact O-N 3.23Å |
| 610 | S | 82.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.9 | -33.9 | 177.3 | -172.3 | 0 | 0 | 0 | 0 | 112.9 | K593 K596 R606 S607 I608 A613 | K593-S610 PolarHBondContact NZ-O 3.49Å; K593-S610 PolarHBondContact O-OG 3.12Å; K596-S610 WeakPolarHBondContact CB-OG 3.49Å; R606-S610 WeakPolarHBondContact O-CB 3.34Å; R606-S610 PolarHBondContact O-N 3.08Å; R606-S610 VanDerWaalsContact O-N 3.1Å; S607-S610 PolarHBondContact O-N 2.88Å; I608-S610 VanDerWaalsContact C-N 3.33Å; I608-S610 PolarHBondContact O-N 3.4Å; S610-A613 WeakPolarHBondContact O-CB 3.5Å |
| 611 | D | 80.9 | Confident | 84.1 | Confident | 33 Ų | 33 | 51.7 Ų | 51.7 | 18% | 0.176 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.3 | -37.9 | 178.4 | -66.5 | -25.8 | 0 | 0 | 0 | 111.4 | A360 S607 I608 I609 | A360-D611 HydrophobicContact CB-CB 4.17Å; S607-D611 WeakPolarHBondContact O-CB 3.41Å; S607-D611 PolarHBondContact O-N 3.42Å; S607-D611 PolarHBondContact OG-OD2 3.33Å; I608-D611 PolarHBondContact O-N 2.86Å; I609-D611 VanDerWaalsContact C-N 3.35Å |
| 612 | F | 85.4 | Confident | 84.5 | Confident | 36 Ų | 36 | 48 Ų | 48 | 16% | 0.158 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -88 | 2.5 | 175.8 | -75.3 | -82.9 | 0 | 0 | 0 | 114.5 | L356 A360 L363 I608 I609 V614 F615 I616 | L356-F612 HydrophobicContact CG-CE2 4.47Å; A360-F612 VanDerWaalsContact CA-CE1 3.43Å; A360-F612 HydrophobicContact CB-CD1 3.78Å; A360-F612 HydrophobicContact CB-CD2 3.82Å; A360-F612 HydrophobicContact CB-CE1 3.58Å; A360-F612 HydrophobicContact CB-CE2 3.61Å; A360-F612 HydrophobicContact CB-CG 3.91Å; A360-F612 HydrophobicContact CB-CZ 3.48Å; A360-F612 VanDerWaalsContact CB-CZ 3.48Å; L363-F612 HydrophobicContact CD1-CE1 4.39Å; I608-F612 HydrophobicContact CG2-CD2 3.83Å; I608-F612 HydrophobicContact CG2-CE2 4.1Å; I608-F612 VanDerWaalsContact O-CD2 3.31Å; I608-F612 WeakPolarHBondContact O-CD2 3.39Å; I608-F612 PolarHBondContact O-N 3.03Å; I609-F612 PolarHBondContact O-N 3.3Å; F612-V614 PolarHBondContact O-N 3.17Å; F612-F615 HydrophobicContact CD1-CD1 4.38Å; F612-F615 PolarHBondContact O-N 3.15Å; F612-F615 VanDerWaalsContact O-N 3.12Å; F612-I616 HydrophobicContact CB-CD1 3.63Å; F612-I616 HydrophobicContact CB-CG1 4.02Å; F612-I616 WeakPolarHBondContact O-CG1 3.5Å; F612-I616 PolarHBondContact O-N 3.49Å |
| 613 | A | 86.3 | Confident | 85 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -46.5 | -55.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L592 K593 I609 S610 I616 T617 | L592-A613 HydrophobicContact CB-CB 3.52Å; L592-A613 WeakPolarHBondContact CD1-O 3.44Å; K593-A613 HydrophobicContact CD-CB 4.37Å; I609-A613 WeakPolarHBondContact O-CA 3.31Å; I609-A613 PolarHBondContact O-N 3.23Å; S610-A613 WeakPolarHBondContact O-CB 3.5Å; A613-I616 PolarHBondContact O-N 3.08Å; A613-T617 PolarHBondContact O-N 3.48Å; A613-T617 PolarHBondContact O-OG1 3.34Å |
| 614 | V | 84.7 | Confident | 85.9 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.7 | -37.9 | -175.4 | -174.8 | 0 | 0 | 0 | 0 | 112 | F364 F612 T617 I618 V790 Y793 | F364-V614 HydrophobicContact CD2-CB 3.51Å; F364-V614 HydrophobicContact CD2-CG1 3.58Å; F364-V614 HydrophobicContact CD2-CG2 4.14Å; F364-V614 HydrophobicContact CE2-CB 3.67Å; F364-V614 HydrophobicContact CE2-CG1 3.49Å; F364-V614 VanDerWaalsContact CE2-CG1 3.49Å; F364-V614 HydrophobicContact CE2-CG2 3.89Å; F364-V614 HydrophobicContact CG-CB 4.4Å; F364-V614 HydrophobicContact CZ-CG2 4.44Å; F612-V614 PolarHBondContact O-N 3.17Å; V614-T617 PolarHBondContact O-N 3.34Å; V614-I618 HydrophobicContact CG1-CD1 4.35Å; V614-I618 WeakPolarHBondContact O-CG1 3.42Å; V614-I618 PolarHBondContact O-N 3.45Å; V614-V790 HydrophobicContact CG1-CG1 3.7Å; V614-V790 HydrophobicContact CG1-CG2 4.05Å; V614-Y793 HydrophobicContact CG2-CD1 4.07Å; V614-Y793 HydrophobicContact CG2-CE1 3.59Å |
| 615 | F | 87.4 | Confident | 86.7 | Confident | 60 Ų | 60 | 40.5 Ų | 40.5 | 26% | 0.263 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.4 | -44.2 | 177 | 178.2 | -100.4 | 0 | 0 | 0 | 111.5 | L363 F612 T617 I618 L619 | L363-F615 HydrophobicContact CB-CD2 4.15Å; L363-F615 HydrophobicContact CB-CE2 4.33Å; F612-F615 HydrophobicContact CD1-CD1 4.38Å; F612-F615 PolarHBondContact O-N 3.15Å; F612-F615 VanDerWaalsContact O-N 3.12Å; F615-T617 VanDerWaalsContact C-N 3.32Å; F615-T617 PolarHBondContact O-N 3.1Å; F615-I618 PolarHBondContact O-N 3.03Å; F615-L619 PolarHBondContact O-N 3.3Å |
| 616 | I | 89.8 | Confident | 87 | Confident | 59 Ų | 59 | 45.5 Ų | 45.5 | 30% | 0.303 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60 | -43.8 | 174.8 | -69.4 | 168 | 0 | 0 | 0 | 110 | L592 F612 A613 I618 L619 T620 | L592-I616 HydrophobicContact CD1-CB 4.31Å; L592-I616 HydrophobicContact CD1-CG2 4.03Å; F612-I616 HydrophobicContact CB-CD1 3.63Å; F612-I616 HydrophobicContact CB-CG1 4.02Å; F612-I616 WeakPolarHBondContact O-CG1 3.5Å; F612-I616 PolarHBondContact O-N 3.49Å; A613-I616 PolarHBondContact O-N 3.08Å; I616-I618 PolarHBondContact O-N 2.64Å; I616-L619 PolarHBondContact O-N 3.39Å; I616-T620 HydrophobicContact CG2-CG2 4.16Å; I616-T620 VanDerWaalsContact O-CG2 3.31Å; I616-T620 WeakPolarHBondContact O-CG2 3.45Å; I616-T620 PolarHBondContact O-N 3.07Å; I616-T620 PolarHBondContact O-OG1 2.94Å; I616-T620 VanDerWaalsContact O-OG1 3.12Å |
| 617 | T | 90.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60 | -44.3 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 112.7 | T585 M588 S589 A613 V614 F615 L619 T620 M621 | T585-T617 HydrophobicContact CG2-CG2 3.86Å; T585-T617 WeakPolarHBondContact O-CG2 3.44Å; M588-T617 HydrophobicContact CB-CG2 3.72Å; M588-T617 HydrophobicContact CG-CG2 3.8Å; S589-T617 WeakPolarHBondContact OG-CG2 3.43Å; S589-T617 PolarHBondContact OG-OG1 3.01Å; A613-T617 PolarHBondContact O-N 3.48Å; A613-T617 PolarHBondContact O-OG1 3.34Å; V614-T617 PolarHBondContact O-N 3.34Å; F615-T617 VanDerWaalsContact C-N 3.32Å; F615-T617 PolarHBondContact O-N 3.1Å; T617-L619 VanDerWaalsContact C-N 3.34Å; T617-L619 PolarHBondContact O-N 3Å; T617-T620 WeakPolarHBondContact CA-OG1 3.45Å; T617-T620 PolarHBondContact O-N 3.14Å; T617-T620 PolarHBondContact O-OG1 3.49Å; T617-M621 HydrophobicContact CG2-CG 4.11Å; T617-M621 WeakPolarHBondContact O-CB 3.34Å; T617-M621 VanDerWaalsContact O-CG 3.23Å; T617-M621 WeakPolarHBondContact O-CG 3.19Å; T617-M621 PolarHBondContact O-N 3.48Å |
| 618 | I | 89.1 | Confident | 88 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 177.8 | -66 | 166.9 | 0 | 0 | 0 | 109.7 | C367 V614 F615 I616 T620 M621 V622 V786 V790 | C367-I618 HydrophobicContact CB-CD1 3.63Å; V614-I618 HydrophobicContact CG1-CD1 4.35Å; V614-I618 WeakPolarHBondContact O-CG1 3.42Å; V614-I618 PolarHBondContact O-N 3.45Å; F615-I618 PolarHBondContact O-N 3.03Å; I616-I618 PolarHBondContact O-N 2.64Å; I618-T620 PolarHBondContact O-N 3.37Å; I618-M621 PolarHBondContact O-N 3.21Å; I618-V622 HydrophobicContact CG2-CG2 4.18Å; I618-V622 WeakPolarHBondContact O-CB 3.35Å; I618-V622 WeakPolarHBondContact O-CG2 3.33Å; I618-V622 PolarHBondContact O-N 3.48Å; I618-V786 HydrophobicContact CG1-CG1 4.32Å; I618-V786 HydrophobicContact CG2-CG1 4.48Å; I618-V790 HydrophobicContact CD1-CG2 4.03Å; I618-V790 HydrophobicContact CG1-CG2 3.78Å |
| 619 | L | 89.3 | Confident | 87.9 | Confident | 104 Ų | 104 | 48.8 Ų | 48.8 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | -179.5 | -175.1 | 67.4 | 0 | 0 | 0 | 112 | F615 I616 T617 L623 | F615-L619 PolarHBondContact O-N 3.3Å; I616-L619 PolarHBondContact O-N 3.39Å; T617-L619 VanDerWaalsContact C-N 3.34Å; T617-L619 PolarHBondContact O-N 3Å; L619-L623 WeakPolarHBondContact O-CB 3.38Å; L619-L623 PolarHBondContact O-N 2.96Å |
| 620 | T | 91.7 | Very high | 87.9 | Confident | 56 Ų | 56 | 48.8 Ų | 48.8 | 34% | 0.344 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.9 | -43.3 | 179.4 | 56.1 | 0 | 0 | 0 | 0 | 111.7 | I616 T617 I618 L623 V624 | I616-T620 HydrophobicContact CG2-CG2 4.16Å; I616-T620 VanDerWaalsContact O-CG2 3.31Å; I616-T620 WeakPolarHBondContact O-CG2 3.45Å; I616-T620 PolarHBondContact O-N 3.07Å; I616-T620 PolarHBondContact O-OG1 2.94Å; I616-T620 VanDerWaalsContact O-OG1 3.12Å; T617-T620 WeakPolarHBondContact CA-OG1 3.45Å; T617-T620 PolarHBondContact O-N 3.14Å; T617-T620 PolarHBondContact O-OG1 3.49Å; I618-T620 PolarHBondContact O-N 3.37Å; T620-L623 PolarHBondContact O-N 3.13Å; T620-V624 VanDerWaalsContact O-CG2 3.29Å; T620-V624 WeakPolarHBondContact O-CG2 3.49Å; T620-V624 PolarHBondContact O-N 3.46Å |
| 621 | M | 91.9 | Very high | 87.6 | Confident | 11 Ų | 11 | 53 Ų | 53 | 5% | 0.054 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.5 | -35.3 | 179.1 | -66.2 | -64.6 | 153.6 | 0 | 0 | 112.5 | L581 S584 M588 T617 I618 V624 D625 V786 | L581-M621 HydrophobicContact CD2-CB 4.37Å; L581-M621 HydrophobicContact CD2-SD 4.27Å; S584-M621 WeakPolarHBondContact OG-CE 3.49Å; M588-M621 HydrophobicContact CB-CE 4.16Å; M588-M621 HydrophobicContact CE-CE 4.34Å; M588-M621 HydrophobicContact CG-CE 4.43Å; T617-M621 HydrophobicContact CG2-CG 4.11Å; T617-M621 WeakPolarHBondContact O-CB 3.34Å; T617-M621 VanDerWaalsContact O-CG 3.23Å; T617-M621 WeakPolarHBondContact O-CG 3.19Å; T617-M621 PolarHBondContact O-N 3.48Å; I618-M621 PolarHBondContact O-N 3.21Å; M621-V624 PolarHBondContact O-N 3.19Å; M621-D625 WeakPolarHBondContact O-CB 3.44Å; M621-D625 PolarHBondContact O-N 3.27Å; M621-V786 HydrophobicContact CB-CG1 4.03Å; M621-V786 HydrophobicContact CB-CG2 3.61Å; M621-V786 HydrophobicContact CG-CG2 4.48Å |
| 622 | V | 90.5 | Very high | 87.6 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 171.1 | 171.2 | 0 | 0 | 0 | 0 | 111 | I618 V624 D625 Y626 F781 I782 | I618-V622 HydrophobicContact CG2-CG2 4.18Å; I618-V622 WeakPolarHBondContact O-CB 3.35Å; I618-V622 WeakPolarHBondContact O-CG2 3.33Å; I618-V622 PolarHBondContact O-N 3.48Å; V622-V624 VanDerWaalsContact C-N 3.34Å; V622-D625 PolarHBondContact O-N 3.3Å; V622-Y626 WeakPolarHBondContact O-CB 3.41Å; V622-Y626 PolarHBondContact O-N 3.47Å; V622-F781 HydrophobicContact CG1-CB 4.41Å; V622-I782 HydrophobicContact CG2-CB 4.45Å; V622-I782 HydrophobicContact CG2-CG1 4.23Å; V622-I782 HydrophobicContact CG2-CG2 4.32Å |
| 623 | L | 91.3 | Very high | 87.4 | Confident | 114 Ų | 114 | 51.1 Ų | 51.1 | 60% | 0.597 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.4 | -38.9 | 177.9 | -170.8 | 146.6 | 0 | 0 | 0 | 111.6 | L619 T620 Y626 A627 | L619-L623 WeakPolarHBondContact O-CB 3.38Å; L619-L623 PolarHBondContact O-N 2.96Å; T620-L623 PolarHBondContact O-N 3.13Å; L623-Y626 PolarHBondContact O-N 2.87Å; L623-A627 VanDerWaalsContact O-CB 3.3Å; L623-A627 WeakPolarHBondContact O-CB 3.37Å; L623-A627 PolarHBondContact O-N 3.04Å |
| 624 | V | 92.1 | Very high | 87.2 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 35% | 0.352 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 175.5 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | W577 T620 M621 V622 Y626 A627 L628 | W577-V624 HydrophobicContact CH2-CG1 3.63Å; W577-V624 HydrophobicContact CZ2-CG1 3.96Å; T620-V624 VanDerWaalsContact O-CG2 3.29Å; T620-V624 WeakPolarHBondContact O-CG2 3.49Å; T620-V624 PolarHBondContact O-N 3.46Å; M621-V624 PolarHBondContact O-N 3.19Å; V622-V624 VanDerWaalsContact C-N 3.34Å; V624-Y626 VanDerWaalsContact C-N 3.33Å; V624-Y626 PolarHBondContact O-N 2.95Å; V624-A627 PolarHBondContact O-N 3.25Å; V624-L628 HydrophobicContact CG1-CD1 4.33Å; V624-L628 PolarHBondContact O-N 3.11Å |
| 625 | D | 90.9 | Very high | 86.5 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.011 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 174.5 | -174.9 | 69.2 | 0 | 0 | 0 | 111.6 | W577 L581 M621 V622 G629 S632 P783 | W577-D625 PolarHBondContact NE1-OD1 3.35Å; L581-D625 HydrophobicContact CD1-CB 4.28Å; M621-D625 WeakPolarHBondContact O-CB 3.44Å; M621-D625 PolarHBondContact O-N 3.27Å; V622-D625 PolarHBondContact O-N 3.3Å; D625-G629 PolarHBondContact O-N 3.24Å; D625-G629 VanDerWaalsContact O-N 3.08Å; D625-S632 VanDerWaalsContact CG-OG 3.27Å; D625-S632 WeakPolarHBondContact OD1-CB 3.38Å; D625-S632 PolarHBondContact OD1-OG 3.41Å; D625-S632 PolarHBondContact OD2-OG 2.85Å; D625-P783 HydrophobicContact CB-CG 4.2Å |
| 626 | Y | 88.6 | Confident | 85.4 | Confident | 165 Ų | 165 | 60.3 Ų | 60.3 | 65% | 0.647 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.5 | -40.6 | 175.3 | -176.6 | -101.6 | 0 | 0 | 0 | 112.5 | V622 L623 V624 F781 | V622-Y626 WeakPolarHBondContact O-CB 3.41Å; V622-Y626 PolarHBondContact O-N 3.47Å; L623-Y626 PolarHBondContact O-N 2.87Å; V624-Y626 VanDerWaalsContact C-N 3.33Å; V624-Y626 PolarHBondContact O-N 2.95Å; Y626-F781 HydrophobicContact CD2-CD1 4.38Å; Y626-F781 HydrophobicContact CE2-CE1 4.38Å |
| 627 | A | 90.2 | Very high | 84.3 | Confident | 77 Ų | 77 | 58 Ų | 58 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -69.1 | -35.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L623 V624 | L623-A627 VanDerWaalsContact O-CB 3.3Å; L623-A627 WeakPolarHBondContact O-CB 3.37Å; L623-A627 PolarHBondContact O-N 3.04Å; V624-A627 PolarHBondContact O-N 3.25Å |
| 628 | L | 88.4 | Confident | 83 | Confident | 101 Ų | 101 | 60.6 Ų | 60.6 | 53% | 0.529 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -84.4 | -21.6 | 178.5 | -66.8 | -179.3 | 0 | 0 | 0 | 113.6 | W577 V624 I630 | W577-L628 HydrophobicContact CE3-CD1 4.07Å; W577-L628 HydrophobicContact CH2-CD1 3.15Å; W577-L628 HydrophobicContact CH2-CG 4.4Å; W577-L628 HydrophobicContact CZ2-CD1 3.6Å; W577-L628 HydrophobicContact CZ3-CD1 3.38Å; V624-L628 HydrophobicContact CG1-CD1 4.33Å; V624-L628 PolarHBondContact O-N 3.11Å; L628-I630 HydrophobicContact CB-CD1 4.47Å; L628-I630 HydrophobicContact CB-CG1 4.41Å; L628-I630 PolarHBondContact O-N 3.1Å; L628-I630 VanDerWaalsContact O-N 3.15Å |
| 629 | G | 80.2 | Confident | 81.8 | Confident | 61 Ų | 61 | 65 Ų | 65 | 63% | 0.629 | 36% | 0.362 | S | S | * | . | trans | 66.8 | 15 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | D625 | D625-G629 PolarHBondContact O-N 3.24Å; D625-G629 VanDerWaalsContact O-N 3.08Å | ||
| 630 | I | 83.8 | Confident | 80.8 | Confident | 44 Ų | 44 | 64.1 Ų | 64.1 | 23% | 0.226 | 36% | 0.36 | C | S | . | . | trans | -71.3 | 137.2 | 176.7 | -60.4 | 173.3 | 0 | 0 | 0 | 108.8 | V574 W577 L628 S632 | V574-I630 HydrophobicContact CG2-CG2 4.38Å; W577-I630 HydrophobicContact CB-CD1 4.16Å; W577-I630 HydrophobicContact CB-CG2 4.11Å; W577-I630 HydrophobicContact CD2-CD1 3.87Å; W577-I630 HydrophobicContact CE3-CD1 4.19Å; W577-I630 HydrophobicContact CG-CB 4.19Å; W577-I630 HydrophobicContact CG-CD1 3.81Å; W577-I630 HydrophobicContact CG-CG2 4.05Å; L628-I630 HydrophobicContact CB-CD1 4.47Å; L628-I630 HydrophobicContact CB-CG1 4.41Å; L628-I630 PolarHBondContact O-N 3.1Å; L628-I630 VanDerWaalsContact O-N 3.15Å; I630-S632 VanDerWaalsContact C-N 3.28Å; I630-S632 PolarHBondContact O-N 2.83Å | ||
| 631 | P | 75.6 | Confident | 79.8 | Confident | 87 Ų | 87 | 66 Ų | 66 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | trans | -71.9 | 79.6 | -178.5 | 29.3 | -35 | 0 | 0 | 0 | 111.8 | V571 V574 | V571-P631 HydrophobicContact CG1-CG 4.46Å; V574-P631 HydrophobicContact CG2-CG 4.03Å | ||
| 632 | S | 81.5 | Confident | 78.7 | Confident | 10 Ų | 10 | 71.1 Ų | 71.1 | 7% | 0.07 | 39% | 0.386 | C | S | . | . | trans | -77.9 | 151.4 | 172.8 | 65.5 | 0 | 0 | 0 | 0 | 111.5 | D625 I630 K634 | D625-S632 VanDerWaalsContact CG-OG 3.27Å; D625-S632 WeakPolarHBondContact OD1-CB 3.38Å; D625-S632 PolarHBondContact OD1-OG 3.41Å; D625-S632 PolarHBondContact OD2-OG 2.85Å; I630-S632 VanDerWaalsContact C-N 3.28Å; I630-S632 PolarHBondContact O-N 2.83Å; S632-K634 PolarHBondContact O-N 2.98Å; S632-K634 VanDerWaalsContact O-N 3.12Å | ||
| 633 | P | 81.4 | Confident | 77.9 | Confident | 21 Ų | 21 | 70.9 Ų | 70.9 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | trans | -69.4 | 111.3 | 176.5 | 29.5 | -35.5 | 0 | 0 | 0 | 109.9 | L496 C578 M784 P785 | L496-P633 HydrophobicContact CD1-CB 4.42Å; L496-P633 HydrophobicContact CD1-CG 3.86Å; L496-P633 HydrophobicContact CD2-CG 3.98Å; C578-P633 VanDerWaalsContact SG-CD 3.56Å; P633-M784 WeakPolarHBondContact O-CB 3.48Å; P633-M784 WeakPolarHBondContact O-CG 3.41Å; P633-M784 PolarHBondContact O-N 2.9Å; P633-P785 HydrophobicContact CG-CG 4.17Å | ||
| 634 | K | 81.4 | Confident | 76.8 | Confident | 76 Ų | 76 | 68.1 Ų | 68.1 | 33% | 0.33 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -94 | 156.3 | -178 | -75.2 | 166.8 | -179 | -177.2 | 0 | 112.5 | S632 K636 K780 | S632-K634 PolarHBondContact O-N 2.98Å; S632-K634 VanDerWaalsContact O-N 3.12Å; K634-K636 PolarHBondContact O-N 3.39Å; K634-K636 VanDerWaalsContact O-N 3.11Å; K634-K780 VanDerWaalsContact CB-O 3.27Å; K634-K780 WeakPolarHBondContact CB-O 3.45Å; K634-K780 VanDerWaalsContact CD-O 3.29Å; K634-K780 WeakPolarHBondContact CD-O 3.07Å; K634-K780 WeakPolarHBondContact CG-O 3.47Å |
| 635 | L | 70.4 | Confident | 75.6 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | trans | -60.3 | 111.8 | 177.5 | -165.4 | 73.3 | 0 | 0 | 0 | 110.9 | I374 V637 I782 L787 | I374-L635 HydrophobicContact CB-CD1 4.34Å; I374-L635 HydrophobicContact CD1-CD1 4.06Å; I374-L635 HydrophobicContact CD1-CD2 3.7Å; I374-L635 HydrophobicContact CD1-CG 4.06Å; I374-L635 HydrophobicContact CG2-CD1 3.89Å; L635-V637 HydrophobicContact CD2-CG2 3.7Å; L635-V637 HydrophobicContact CG-CG2 3.82Å; L635-V637 PolarHBondContact O-N 3.21Å; L635-V637 VanDerWaalsContact O-N 3.14Å; L635-I782 PolarHBondContact N-O 3.3Å; L635-I782 VanDerWaalsContact N-O 3.12Å; L635-L787 HydrophobicContact CD1-CD1 4.23Å | ||
| 636 | K | 64.3 | Low | 74.3 | Confident | 181 Ų | 181 | 77.8 Ų | 77.8 | 79% | 0.787 | 41% | 0.414 | S | S | * | . | trans | -81.5 | 91 | 177.1 | -66.9 | -179.1 | -174.9 | 173.1 | 0 | 109.6 | K634 | K634-K636 PolarHBondContact O-N 3.39Å; K634-K636 VanDerWaalsContact O-N 3.11Å | ||
| 637 | V | 66.1 | Low | 73 | Confident | 12 Ų | 12 | 76.1 Ų | 76.1 | 7% | 0.073 | 42% | 0.416 | C | S | . | . | trans | -98.8 | 127.5 | 172.4 | -163.8 | 0 | 0 | 0 | 0 | 109.2 | I374 L635 T776 L779 | I374-V637 HydrophobicContact CD1-CG2 4.08Å; L635-V637 HydrophobicContact CD2-CG2 3.7Å; L635-V637 HydrophobicContact CG-CG2 3.82Å; L635-V637 PolarHBondContact O-N 3.21Å; L635-V637 VanDerWaalsContact O-N 3.14Å; V637-T776 HydrophobicContact CB-CG2 3.81Å; V637-T776 HydrophobicContact CG1-CG2 3.43Å; V637-T776 VanDerWaalsContact CG1-CG2 3.43Å; V637-L779 HydrophobicContact CG2-CB 4.48Å | ||
| 638 | P | 64.1 | Low | 72 | Confident | 53 Ų | 53 | 74.7 Ų | 74.7 | 34% | 0.344 | 39% | 0.394 | S | S | . | . | trans | -69.3 | 142.8 | 178 | 26.4 | -32.4 | 0 | 0 | 0 | 111.3 | I391 | I391-P638 HydrophobicContact CD1-CB 3.84Å; I391-P638 HydrophobicContact CD1-CG 3.49Å; I391-P638 VanDerWaalsContact CD1-CG 3.49Å; I391-P638 HydrophobicContact CG1-CB 4.14Å; I391-P638 HydrophobicContact CG1-CG 3.21Å | ||
| 639 | N | 64.2 | Low | 71.2 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 54% | 0.54 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -85.2 | -6.9 | -170.9 | -57.5 | -38.8 | 0 | 0 | 0 | 114.1 | K780 | N639-K780 PolarHBondContact ND2-NZ 3.35Å; N639-K780 WeakPolarHBondContact OD1-CE 3.01Å; N639-K780 PolarHBondContact OD1-NZ 3.46Å |
| 640 | V | 68.6 | Low | 71.1 | Confident | 85 Ų | 85 | 72.8 Ų | 72.8 | 52% | 0.515 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -129.7 | 125.3 | -170.9 | -169 | 0 | 0 | 0 | 0 | 109.8 | I391 K642 | I391-V640 WeakPolarHBondContact CD1-O 3.31Å; V640-K642 HydrophobicContact CG1-CD 3.91Å; V640-K642 HydrophobicContact CG1-CG 3.9Å; V640-K642 PolarHBondContact O-N 3.22Å |
| 641 | F | 70.2 | Confident | 71.1 | Confident | 95 Ų | 95 | 77.1 Ų | 77.1 | 42% | 0.417 | 40% | 0.399 | S | S | . | . | trans | -76 | 85.8 | 174.7 | -169.1 | -100.5 | 0 | 0 | 0 | 110.2 | I391 F395 W650 V773 | I391-F641 HydrophobicContact CG2-CD2 4.22Å; I391-F641 HydrophobicContact CG2-CE2 4.45Å; F395-F641 HydrophobicContact CB-CE2 4.09Å; F395-F641 HydrophobicContact CB-CZ 4.35Å; F395-F641 HydrophobicContact CD1-CZ 4.44Å; F395-F641 AromaticContact CD2-CE2 3.89Å; F395-F641 HydrophobicContact CD2-CE2 3.89Å; F395-F641 AromaticContact CD2-CZ 3.6Å; F395-F641 HydrophobicContact CD2-CZ 3.6Å; F395-F641 AromaticContact CE2-CZ 3.95Å; F395-F641 HydrophobicContact CE2-CZ 3.95Å; F395-F641 HydrophobicContact CG-CE2 4.08Å; F395-F641 AromaticContact CG-CZ 3.88Å; F395-F641 HydrophobicContact CG-CZ 3.88Å; F395-F641 HydrophobicContact CZ-CZ 4.49Å; F641-W650 HydrophobicContact CD1-CZ2 4.17Å; F641-W650 HydrophobicContact CE1-CH2 4.06Å; F641-W650 AromaticContact CE1-CZ2 3.48Å; F641-W650 HydrophobicContact CE1-CZ2 3.48Å; F641-W650 VanDerWaalsContact CE1-CZ2 3.48Å; F641-W650 HydrophobicContact CE2-CH2 4.3Å; F641-W650 HydrophobicContact CE2-CZ2 4.47Å; F641-W650 AromaticContact CZ-CH2 3.73Å; F641-W650 HydrophobicContact CZ-CH2 3.73Å; F641-W650 AromaticContact CZ-CZ2 3.66Å; F641-W650 HydrophobicContact CZ-CZ2 3.66Å; F641-V773 HydrophobicContact CB-CG1 4.29Å; F641-V773 HydrophobicContact CD2-CG1 4.49Å; F641-V773 HydrophobicContact CD2-CG2 4.33Å | ||
| 642 | K | 68.6 | Low | 71.4 | Confident | 119 Ų | 119 | 74 Ų | 74 | 52% | 0.517 | 38% | 0.377 | S | S | . | . | trans | -139.1 | 150.3 | 174.8 | -76.8 | -179.4 | -179 | -171.9 | 0 | 110.5 | I391 V640 | I391-K642 WeakPolarHBondContact CD1-O 3.36Å; V640-K642 HydrophobicContact CG1-CD 3.91Å; V640-K642 HydrophobicContact CG1-CG 3.9Å; V640-K642 PolarHBondContact O-N 3.22Å | ||
| 643 | P | 73 | Confident | 71.3 | Confident | 22 Ų | 22 | 77.1 Ų | 77.1 | 14% | 0.143 | 40% | 0.399 | C | S | . | . | trans | -54.5 | 144.9 | 166.6 | -20.9 | 32.2 | 0 | 0 | 0 | 110.2 | R645 R648 W650 | P643-R645 PolarHBondContact O-N 3.04Å; P643-R645 VanDerWaalsContact O-N 3.1Å; P643-R648 HydrophobicContact CB-CG 4.2Å; P643-W650 HydrophobicContact CG-CD2 4.46Å; P643-W650 HydrophobicContact CG-CZ2 4.38Å | ||
| 644 | T | 68.5 | Low | 70.9 | Confident | 55 Ų | 55 | 78.6 Ų | 78.6 | 34% | 0.337 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -61.5 | -24.6 | -172.9 | -55.6 | 0 | 0 | 0 | 0 | 113.7 | G386 S389 E392 | G386-T644 WeakPolarHBondContact O-CB 3.39Å; G386-T644 VanDerWaalsContact O-CG2 3.22Å; G386-T644 WeakPolarHBondContact O-CG2 3.36Å; S389-T644 WeakPolarHBondContact CB-OG1 3.19Å; S389-T644 WeakPolarHBondContact OG-CG2 3.33Å; E392-T644 VanDerWaalsContact CD-OG1 3.26Å; E392-T644 PolarHBondContact OE1-N 3.44Å; E392-T644 PolarHBondContact OE1-OG1 3.34Å; E392-T644 PolarHBondContact OE2-OG1 2.91Å |
| 645 | R | 67.6 | Low | 70.3 | Confident | 121 Ų | 121 | 80.4 Ų | 80.4 | 46% | 0.457 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -114.8 | 132.2 | 170.4 | -76.9 | -178.7 | 66.4 | 149.5 | -0.8 | 110.3 | P643 D647 | P643-R645 PolarHBondContact O-N 3.04Å; P643-R645 VanDerWaalsContact O-N 3.1Å; R645-D647 IonicContact CZ-OD2 2.85Å; R645-D647 IonicContact NE-OD2 2.78Å; R645-D647 PolarHBondContact NE-OD2 2.99Å; R645-D647 IonicContact NH2-OD2 2.71Å; R645-D647 PolarHBondContact NH2-OD2 3.28Å; R645-D647 PolarHBondContact O-N 3.5Å |
| 646 | D | 63 | Low | 70.4 | Confident | 143 Ų | 143 | 81.9 Ų | 81.9 | 77% | 0.765 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.9 | 176.6 | -65.2 | -47.7 | 0 | 0 | 0 | 113 | R648 | D646-R648 PolarHBondContact O-N 2.96Š|
| 647 | D | 62.9 | Low | 70.8 | Confident | 129 Ų | 129 | 78.6 Ų | 78.6 | 69% | 0.69 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -5.2 | -178.5 | -55.4 | -36.5 | 0 | 0 | 0 | 114.6 | R645 | R645-D647 IonicContact CZ-OD2 2.85Å; R645-D647 IonicContact NE-OD2 2.78Å; R645-D647 PolarHBondContact NE-OD2 2.99Å; R645-D647 IonicContact NH2-OD2 2.71Å; R645-D647 PolarHBondContact NH2-OD2 3.28Å; R645-D647 PolarHBondContact O-N 3.5Å |
| 648 | R | 68 | Low | 71.6 | Confident | 47 Ų | 47 | 78.9 Ų | 78.9 | 18% | 0.177 | 44% | 0.436 | C | S | . | . | trans | -131.6 | 146.6 | -172.6 | 76.4 | 172.8 | -170 | 143.9 | -1.6 | 114.7 | E392 P643 D646 | E392-R648 IonicContact OE1-NH2 3.53Å; E392-R648 PolarHBondContact OE1-NH2 3.3Å; P643-R648 HydrophobicContact CB-CG 4.2Å; D646-R648 PolarHBondContact O-N 2.96Å | ||
| 649 | G | 72.6 | Confident | 72.5 | Confident | 48 Ų | 48 | 78.9 Ų | 78.9 | 50% | 0.495 | 44% | 0.436 | S | S | . | . | trans | -84 | 177.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L651 | G649-L651 VanDerWaalsContact C-N 3.31Å; G649-L651 PolarHBondContact O-N 2.87Å | ||
| 650 | W | 77.8 | Confident | 73.4 | Confident | 75 Ų | 75 | 83.2 Ų | 83.2 | 28% | 0.284 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -72.7 | -17.9 | 178.3 | -71.7 | 95.4 | 0 | 0 | 0 | 114.1 | F395 F641 P643 M718 L720 | F395-W650 HydrophobicContact CD1-CE3 4.18Å; F395-W650 AromaticContact CD1-CH2 3.85Å; F395-W650 HydrophobicContact CD1-CH2 3.85Å; F395-W650 AromaticContact CD1-CZ3 3.46Å; F395-W650 HydrophobicContact CD1-CZ3 3.46Å; F395-W650 VanDerWaalsContact CD1-CZ3 3.46Å; F395-W650 HydrophobicContact CE1-CE3 4.15Å; F395-W650 HydrophobicContact CE1-CH2 4.34Å; F395-W650 AromaticContact CE1-CZ3 3.87Å; F395-W650 HydrophobicContact CE1-CZ3 3.87Å; F395-W650 HydrophobicContact CG-CH2 4.28Å; F395-W650 HydrophobicContact CG-CZ3 4.29Å; F641-W650 HydrophobicContact CD1-CZ2 4.17Å; F641-W650 HydrophobicContact CE1-CH2 4.06Å; F641-W650 AromaticContact CE1-CZ2 3.48Å; F641-W650 HydrophobicContact CE1-CZ2 3.48Å; F641-W650 VanDerWaalsContact CE1-CZ2 3.48Å; F641-W650 HydrophobicContact CE2-CH2 4.3Å; F641-W650 HydrophobicContact CE2-CZ2 4.47Å; F641-W650 AromaticContact CZ-CH2 3.73Å; F641-W650 HydrophobicContact CZ-CH2 3.73Å; F641-W650 AromaticContact CZ-CZ2 3.66Å; F641-W650 HydrophobicContact CZ-CZ2 3.66Å; P643-W650 HydrophobicContact CG-CD2 4.46Å; P643-W650 HydrophobicContact CG-CZ2 4.38Å; W650-M718 CarbonylContact O-C 3.53Å; W650-M718 VanDerWaalsContact O-C 3.28Å; W650-M718 WeakPolarHBondContact O-CA 3.42Å; W650-L720 HydrophobicContact CE3-CD2 4.35Å; W650-L720 HydrophobicContact CZ3-CD2 3.89Å |
| 651 | L | 82.5 | Confident | 74.2 | Confident | 135 Ų | 135 | 85.2 Ų | 85.2 | 71% | 0.707 | 44% | 0.443 | S | S | * | . | trans | -102.6 | 130.2 | -179.7 | -158.4 | 96.4 | 0 | 0 | 0 | 110.6 | G649 V717 | G649-L651 VanDerWaalsContact C-N 3.31Å; G649-L651 PolarHBondContact O-N 2.87Å; L651-V717 HydrophobicContact CD1-CG1 3.59Å; L651-V717 HydrophobicContact CG-CG1 4.08Å | ||
| 652 | I | 83.3 | Confident | 74.7 | Confident | 22 Ų | 22 | 81.1 Ų | 81.1 | 11% | 0.113 | 43% | 0.426 | C | S | . | . | trans | -106.9 | 135.3 | 177.8 | -61.4 | 160.6 | 0 | 0 | 0 | 109.7 | L440 V717 | L440-I652 HydrophobicContact CB-CD1 4.15Å; L440-I652 HydrophobicContact CB-CG2 4.35Å; L440-I652 HydrophobicContact CD2-CD1 3.92Å; L440-I652 HydrophobicContact CG-CD1 4.47Å; I652-V717 PolarHBondContact N-O 3.49Å | ||
| 653 | S | 78.6 | Confident | 75.4 | Confident | 75 Ų | 75 | 76.6 Ų | 76.6 | 52% | 0.524 | 41% | 0.411 | S | S | . | . | trans | -76.2 | 130.8 | 173 | 55.6 | 0 | 0 | 0 | 0 | 110.9 | G656 | S653-G656 PolarHBondContact O-N 3.32Š| ||
| 654 | P | 72.4 | Confident | 76.1 | Confident | 51 Ų | 51 | 79.9 Ų | 79.9 | 33% | 0.331 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -65.8 | -41.9 | -175.8 | 22.5 | -31.6 | 0 | 0 | 0 | 112.7 | S441 T444 C445 L448 | S441-P654 PolarHBondContact OG-O 3.24Å; T444-P654 HydrophobicContact CG2-CB 4.1Å; C445-P654 PolarHBondContact SG-O 3.44Å; L448-P654 HydrophobicContact CD1-CB 4.06Å |
| 655 | L | 70.2 | Confident | 77 | Confident | 115 Ų | 115 | 81.9 Ų | 81.9 | 60% | 0.602 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -78 | -24.4 | -179.2 | -87.3 | 78.7 | 0 | 0 | 0 | 113.6 | N658 | L655-N658 PolarHBondContact O-N 2.67Š|
| 656 | G | 72 | Confident | 78 | Confident | 35 Ų | 35 | 76.3 Ų | 76.3 | 36% | 0.361 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.9 | -150.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | S653 | S653-G656 PolarHBondContact O-N 3.32Š|
| 657 | P | 73.5 | Confident | 79.4 | Confident | 113 Ų | 113 | 71.8 Ų | 71.8 | 73% | 0.734 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 6.1 | 168 | 34.5 | -35.6 | 0 | 0 | 0 | 113.3 | S438 | S438-P657 WeakPolarHBondContact OG-CD 3.43Å; S438-P657 WeakPolarHBondContact OG-CG 3.43Å |
| 658 | N | 81.1 | Confident | 80.6 | Confident | 18 Ų | 18 | 71.8 Ų | 71.8 | 10% | 0.096 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -83.1 | 148.9 | -174.7 | -69.5 | -21 | 0 | 0 | 0 | 111 | S438 S441 L655 | S438-N658 WeakPolarHBondContact CB-OD1 3.42Å; S438-N658 PolarHBondContact N-OD1 3.23Å; S438-N658 PolarHBondContact O-ND2 3.19Å; S438-N658 VanDerWaalsContact O-ND2 3.15Å; S438-N658 PolarHBondContact OG-ND2 3.44Å; S438-N658 PolarHBondContact OG-OD1 3.44Å; S441-N658 PolarHBondContact OG-ND2 3.08Å; L655-N658 PolarHBondContact O-N 2.67Å |
| 659 | P | 83.5 | Confident | 81.6 | Confident | 53 Ų | 53 | 71.7 Ų | 71.7 | 34% | 0.344 | 40% | 0.399 | S | S | . | . | trans | -60.8 | 143.5 | 173.5 | -21.4 | 31.5 | 0 | 0 | 0 | 112.3 | W661 T662 | P659-W661 VanDerWaalsContact CB-CD1 3.42Å; P659-W661 HydrophobicContact CB-CD2 4.2Å; P659-W661 HydrophobicContact CB-CG 4.09Å; P659-W661 HydrophobicContact CB-CZ2 4.21Å; P659-W661 HydrophobicContact CG-CZ2 4.02Å; P659-W661 PolarHBondContact O-N 3.01Å; P659-W661 VanDerWaalsContact O-N 3.11Å; P659-T662 HydrophobicContact CB-CG2 4.31Å; P659-T662 HydrophobicContact CG-CG2 4.34Å; P659-T662 WeakPolarHBondContact O-CB 3.28Å; P659-T662 WeakPolarHBondContact O-CG2 3.41Å; P659-T662 PolarHBondContact O-N 2.8Å; P659-T662 PolarHBondContact O-OG1 3.02Å | ||
| 660 | W | 83.3 | Confident | 82.5 | Confident | 192 Ų | 192 | 69.4 Ų | 69.4 | 73% | 0.727 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -30.8 | -178.1 | 71.5 | -90.7 | 0 | 0 | 0 | 114 | T662 A663 | W660-T662 PolarHBondContact O-N 3.09Å; W660-A663 WeakPolarHBondContact O-CB 3.16Å; W660-A663 PolarHBondContact O-N 2.81Å |
| 661 | W | 84.6 | Confident | 83 | Confident | 126 Ų | 126 | 70.3 Ų | 70.3 | 48% | 0.477 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -24.3 | 178.3 | 59.6 | -103 | 0 | 0 | 0 | 112.9 | P659 A663 V664 I665 | P659-W661 VanDerWaalsContact CB-CD1 3.42Å; P659-W661 HydrophobicContact CB-CD2 4.2Å; P659-W661 HydrophobicContact CB-CG 4.09Å; P659-W661 HydrophobicContact CB-CZ2 4.21Å; P659-W661 HydrophobicContact CG-CZ2 4.02Å; P659-W661 PolarHBondContact O-N 3.01Å; P659-W661 VanDerWaalsContact O-N 3.11Å; W661-A663 VanDerWaalsContact C-N 3.26Å; W661-A663 PolarHBondContact O-N 3.49Å; W661-V664 PolarHBondContact O-N 2.97Å; W661-I665 HydrophobicContact CE3-CD1 3.54Å; W661-I665 HydrophobicContact CE3-CG1 4.32Å; W661-I665 HydrophobicContact CZ3-CD1 3.74Å; W661-I665 PolarHBondContact O-N 3.14Å |
| 662 | T | 82.6 | Confident | 83.2 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 6% | 0.055 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.1 | -34.5 | 177 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | L437 P659 W660 V664 I665 T666 | L437-T662 HydrophobicContact CD1-CG2 4.43Å; L437-T662 HydrophobicContact CD2-CG2 4.09Å; P659-T662 HydrophobicContact CB-CG2 4.31Å; P659-T662 HydrophobicContact CG-CG2 4.34Å; P659-T662 WeakPolarHBondContact O-CB 3.28Å; P659-T662 WeakPolarHBondContact O-CG2 3.41Å; P659-T662 PolarHBondContact O-N 2.8Å; P659-T662 PolarHBondContact O-OG1 3.02Å; W660-T662 PolarHBondContact O-N 3.09Å; T662-V664 PolarHBondContact O-N 2.96Å; T662-I665 PolarHBondContact O-N 3.27Å; T662-T666 VanDerWaalsContact O-CG2 3.29Å; T662-T666 WeakPolarHBondContact O-CG2 3.19Å; T662-T666 PolarHBondContact O-N 3.35Å; T662-T666 PolarHBondContact O-OG1 3.16Å |
| 663 | A | 83.4 | Confident | 83.5 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 21% | 0.207 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.7 | -26.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | W449 W660 W661 T666 | W449-A663 PolarHBondContact NE1-O 2.99Å; W660-A663 WeakPolarHBondContact O-CB 3.16Å; W660-A663 PolarHBondContact O-N 2.81Å; W661-A663 VanDerWaalsContact C-N 3.26Å; W661-A663 PolarHBondContact O-N 3.49Å; A663-T666 VanDerWaalsContact C-OG1 3.27Å; A663-T666 WeakPolarHBondContact CA-OG1 3.25Å; A663-T666 PolarHBondContact O-OG1 3.28Å |
| 664 | V | 87.3 | Confident | 84 | Confident | 91 Ų | 91 | 62.3 Ų | 62.3 | 55% | 0.552 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -82 | -43.3 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | W661 T662 T666 V667 | W661-V664 PolarHBondContact O-N 2.97Å; T662-V664 PolarHBondContact O-N 2.96Å; V664-T666 PolarHBondContact O-N 3.42Å; V664-V667 WeakPolarHBondContact O-CB 3.18Å; V664-V667 VanDerWaalsContact O-CG2 3.28Å; V664-V667 WeakPolarHBondContact O-CG2 3.48Å; V664-V667 PolarHBondContact O-N 2.85Å |
| 665 | I | 87.8 | Confident | 84.8 | Confident | 96 Ų | 96 | 62.2 Ų | 62.2 | 49% | 0.492 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.6 | -29.6 | 179.5 | -64.1 | -174.5 | 0 | 0 | 0 | 111.7 | W661 T662 V667 I668 P669 | W661-I665 HydrophobicContact CE3-CD1 3.54Å; W661-I665 HydrophobicContact CE3-CG1 4.32Å; W661-I665 HydrophobicContact CZ3-CD1 3.74Å; W661-I665 PolarHBondContact O-N 3.14Å; T662-I665 PolarHBondContact O-N 3.27Å; I665-V667 PolarHBondContact O-N 3.17Å; I665-I668 PolarHBondContact O-N 3.06Å; I665-P669 WeakPolarHBondContact O-CD 3.49Å |
| 666 | T | 88.4 | Confident | 85.5 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -13.1 | 177.1 | 45 | 0 | 0 | 0 | 0 | 114.9 | L442 C445 I446 T662 A663 V664 I668 P669 A670 | L442-T666 HydrophobicContact CD1-CG2 3.3Å; L442-T666 HydrophobicContact CG-CG2 3.86Å; C445-T666 HydrophobicContact CB-CG2 4.42Å; I446-T666 HydrophobicContact CD1-CG2 4.15Å; I446-T666 HydrophobicContact CG1-CG2 3.57Å; T662-T666 VanDerWaalsContact O-CG2 3.29Å; T662-T666 WeakPolarHBondContact O-CG2 3.19Å; T662-T666 PolarHBondContact O-N 3.35Å; T662-T666 PolarHBondContact O-OG1 3.16Å; A663-T666 VanDerWaalsContact C-OG1 3.27Å; A663-T666 WeakPolarHBondContact CA-OG1 3.25Å; A663-T666 PolarHBondContact O-OG1 3.28Å; V664-T666 PolarHBondContact O-N 3.42Å; T666-I668 PolarHBondContact O-N 2.75Å; T666-P669 WeakPolarHBondContact O-CD 3.28Å; T666-A670 WeakPolarHBondContact O-CB 3.47Å; T666-A670 PolarHBondContact O-N 2.99Å |
| 667 | V | 90.8 | Very high | 86.3 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.6 | -35.2 | 173.3 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | W449 V664 I665 A670 L671 | W449-V667 HydrophobicContact CD2-CG2 3.66Å; W449-V667 HydrophobicContact CE3-CG2 4.06Å; W449-V667 HydrophobicContact CG-CG2 4.07Å; W449-V667 HydrophobicContact CH2-CG2 4.24Å; W449-V667 HydrophobicContact CZ2-CG2 3.84Å; W449-V667 HydrophobicContact CZ3-CG2 4.33Å; V664-V667 WeakPolarHBondContact O-CB 3.18Å; V664-V667 VanDerWaalsContact O-CG2 3.28Å; V664-V667 WeakPolarHBondContact O-CG2 3.48Å; V664-V667 PolarHBondContact O-N 2.85Å; I665-V667 PolarHBondContact O-N 3.17Å; V667-A670 PolarHBondContact O-N 3.3Å; V667-L671 WeakPolarHBondContact O-CB 3.23Å; V667-L671 PolarHBondContact O-N 2.99Å |
| 668 | I | 89.1 | Confident | 87 | Confident | 129 Ų | 129 | 51 Ų | 51 | 66% | 0.662 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -68 | -54.8 | -178.4 | -62.7 | 167.6 | 0 | 0 | 0 | 111.2 | I665 T666 A670 L671 L672 | I665-I668 PolarHBondContact O-N 3.06Å; T666-I668 PolarHBondContact O-N 2.75Å; I668-A670 PolarHBondContact O-N 2.68Å; I668-L671 PolarHBondContact O-N 3.42Å; I668-L672 PolarHBondContact O-N 3.27Å |
| 669 | P | 88.1 | Confident | 87.2 | Confident | 44 Ų | 44 | 50.6 Ų | 50.6 | 29% | 0.286 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.5 | -35.7 | 170.9 | -25.2 | 31.9 | 0 | 0 | 0 | 113.5 | F424 I446 I665 T666 L672 C673 | F424-P669 HydrophobicContact CE2-CB 4.37Å; F424-P669 HydrophobicContact CZ-CB 4.11Å; I446-P669 HydrophobicContact CD1-CB 4.14Å; I446-P669 HydrophobicContact CG1-CB 4.41Å; I665-P669 WeakPolarHBondContact O-CD 3.49Å; T666-P669 WeakPolarHBondContact O-CD 3.28Å; P669-L672 PolarHBondContact O-N 3.37Å; P669-C673 WeakPolarHBondContact O-CB 3.22Å; P669-C673 PolarHBondContact O-N 3.26Å |
| 670 | A | 91.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I446 W449 T450 T666 V667 I668 L672 C673 T674 | I446-A670 HydrophobicContact CG2-CB 4.21Å; W449-A670 HydrophobicContact CB-CB 3.49Å; W449-A670 VanDerWaalsContact CB-CB 3.49Å; T450-A670 HydrophobicContact CG2-CB 3.84Å; T450-A670 WeakPolarHBondContact CG2-O 3.41Å; T666-A670 WeakPolarHBondContact O-CB 3.47Å; T666-A670 PolarHBondContact O-N 2.99Å; V667-A670 PolarHBondContact O-N 3.3Å; I668-A670 PolarHBondContact O-N 2.68Å; A670-L672 VanDerWaalsContact C-N 3.33Å; A670-L672 PolarHBondContact O-N 2.98Å; A670-C673 PolarHBondContact O-N 3.27Å; A670-T674 WeakPolarHBondContact O-CB 3.24Å; A670-T674 PolarHBondContact O-N 3.5Å; A670-T674 PolarHBondContact O-OG1 2.84Å |
| 671 | L | 89.7 | Confident | 87.5 | Confident | 94 Ų | 94 | 39.5 Ų | 39.5 | 49% | 0.492 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61 | -44.7 | 175.3 | -175 | 150.7 | 0 | 0 | 0 | 111 | L453 V667 I668 T674 I675 | L453-L671 HydrophobicContact CD1-CB 4.33Å; V667-L671 WeakPolarHBondContact O-CB 3.23Å; V667-L671 PolarHBondContact O-N 2.99Å; I668-L671 PolarHBondContact O-N 3.42Å; L671-T674 WeakPolarHBondContact O-CB 3.35Å; L671-T674 PolarHBondContact O-N 3.44Å; L671-I675 HydrophobicContact CD2-CD1 3.64Å; L671-I675 HydrophobicContact CD2-CG1 4.45Å; L671-I675 WeakPolarHBondContact O-CG1 3.05Å; L671-I675 PolarHBondContact O-N 3.23Å |
| 672 | L | 86.4 | Confident | 87.6 | Confident | 56 Ų | 56 | 33.5 Ų | 33.5 | 29% | 0.293 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.7 | -45.9 | 177.4 | -168.5 | 147.6 | 0 | 0 | 0 | 111.9 | F424 I668 P669 A670 T674 I675 L676 I856 | F424-L672 HydrophobicContact CD2-CD2 4.34Å; F424-L672 HydrophobicContact CE2-CD2 4.48Å; I668-L672 PolarHBondContact O-N 3.27Å; P669-L672 PolarHBondContact O-N 3.37Å; A670-L672 VanDerWaalsContact C-N 3.33Å; A670-L672 PolarHBondContact O-N 2.98Å; L672-T674 VanDerWaalsContact C-N 3.3Å; L672-T674 PolarHBondContact O-N 2.9Å; L672-I675 PolarHBondContact O-N 2.99Å; L672-L676 PolarHBondContact O-N 3.49Å; L672-I856 HydrophobicContact CD1-CG2 3.47Å; L672-I856 VanDerWaalsContact CD1-CG2 3.47Å; L672-I856 HydrophobicContact CD2-CG2 3.31Å; L672-I856 HydrophobicContact CG-CG2 4.03Å |
| 673 | C | 88.2 | Confident | 87.7 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.027 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -37.8 | 177.5 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | F424 T450 P669 A670 L676 I677 W722 | F424-C673 HydrophobicContact CE1-CB 4.48Å; F424-C673 HydrophobicContact CE2-CB 4.25Å; F424-C673 HydrophobicContact CZ-CB 4.09Å; T450-C673 HydrophobicContact CG2-CB 3.63Å; P669-C673 WeakPolarHBondContact O-CB 3.22Å; P669-C673 PolarHBondContact O-N 3.26Å; A670-C673 PolarHBondContact O-N 3.27Å; C673-L676 WeakPolarHBondContact O-CB 3.24Å; C673-L676 PolarHBondContact O-N 3.03Å; C673-I677 WeakPolarHBondContact O-CD1 3.36Å; C673-I677 WeakPolarHBondContact O-CG1 3.26Å; C673-I677 PolarHBondContact O-N 3.49Å; C673-I677 VanDerWaalsContact SG-CD1 3.58Å; C673-W722 VanDerWaalsContact SG-CZ3 3.57Å |
| 674 | T | 90.7 | Very high | 87.9 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.4 | -45.9 | 175.3 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | L453 L457 A670 L671 L672 L676 I677 F678 | L453-T674 HydrophobicContact CB-CG2 3.81Å; L457-T674 HydrophobicContact CD1-CG2 3.71Å; A670-T674 WeakPolarHBondContact O-CB 3.24Å; A670-T674 PolarHBondContact O-N 3.5Å; A670-T674 PolarHBondContact O-OG1 2.84Å; L671-T674 WeakPolarHBondContact O-CB 3.35Å; L671-T674 PolarHBondContact O-N 3.44Å; L672-T674 VanDerWaalsContact C-N 3.3Å; L672-T674 PolarHBondContact O-N 2.9Å; T674-L676 VanDerWaalsContact C-N 3.3Å; T674-L676 PolarHBondContact O-N 2.7Å; T674-I677 PolarHBondContact O-N 3.1Å; T674-F678 VanDerWaalsContact O-CB 3.23Å; T674-F678 WeakPolarHBondContact O-CB 3.37Å; T674-F678 PolarHBondContact O-N 3.36Å |
| 675 | I | 87.6 | Confident | 87.8 | Confident | 48 Ų | 48 | 27.8 Ų | 27.8 | 25% | 0.246 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.4 | -41.9 | 177 | -65.1 | 170.1 | 0 | 0 | 0 | 110.4 | L671 L672 F678 M679 P859 M860 | L671-I675 HydrophobicContact CD2-CD1 3.64Å; L671-I675 HydrophobicContact CD2-CG1 4.45Å; L671-I675 WeakPolarHBondContact O-CG1 3.05Å; L671-I675 PolarHBondContact O-N 3.23Å; L672-I675 PolarHBondContact O-N 2.99Å; I675-F678 PolarHBondContact O-N 3.39Å; I675-M679 HydrophobicContact CG2-CG 4.3Å; I675-M679 WeakPolarHBondContact O-CB 3.45Å; I675-M679 VanDerWaalsContact O-CG 3.26Å; I675-M679 WeakPolarHBondContact O-CG 3.24Å; I675-M679 PolarHBondContact O-N 2.94Å; I675-P859 HydrophobicContact CG2-CB 3.86Å; I675-M860 HydrophobicContact CD1-SD 4.2Å; I675-M860 HydrophobicContact CG2-SD 4.48Å |
| 676 | L | 85.9 | Confident | 87.6 | Confident | 6 Ų | 6 | 24.2 Ų | 24.2 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.2 | -51.5 | 177.5 | -171.6 | 152.5 | 0 | 0 | 0 | 111.8 | P420 V421 L672 C673 T674 F678 M679 D680 P859 | P420-L676 HydrophobicContact CB-CD1 3.75Å; P420-L676 HydrophobicContact CB-CD2 4.25Å; P420-L676 HydrophobicContact CB-CG 4.27Å; V421-L676 HydrophobicContact CG2-CD2 3.73Å; L672-L676 PolarHBondContact O-N 3.49Å; C673-L676 WeakPolarHBondContact O-CB 3.24Å; C673-L676 PolarHBondContact O-N 3.03Å; T674-L676 VanDerWaalsContact C-N 3.3Å; T674-L676 PolarHBondContact O-N 2.7Å; L676-F678 VanDerWaalsContact C-N 3.34Å; L676-F678 PolarHBondContact O-N 2.65Å; L676-M679 PolarHBondContact O-N 3.13Å; L676-D680 PolarHBondContact O-N 3.06Å; L676-P859 HydrophobicContact CB-CG 3.61Å; L676-P859 HydrophobicContact CD1-CG 4.04Å; L676-P859 HydrophobicContact CG-CG 3.75Å |
| 677 | I | 88.3 | Confident | 87.4 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | -179 | -66.4 | 156.2 | 0 | 0 | 0 | 111 | C673 T674 Q681 V708 L712 V724 | C673-I677 WeakPolarHBondContact O-CD1 3.36Å; C673-I677 WeakPolarHBondContact O-CG1 3.26Å; C673-I677 PolarHBondContact O-N 3.49Å; C673-I677 VanDerWaalsContact SG-CD1 3.58Å; T674-I677 PolarHBondContact O-N 3.1Å; I677-Q681 VanDerWaalsContact O-CB 3.24Å; I677-Q681 WeakPolarHBondContact O-CB 3.33Å; I677-Q681 PolarHBondContact O-N 2.86Å; I677-V708 HydrophobicContact CG2-CG1 3.84Å; I677-L712 HydrophobicContact CD1-CD1 3.18Å; I677-L712 HydrophobicContact CG1-CD1 4.36Å; I677-V724 HydrophobicContact CG1-CG2 3.92Å; I677-V724 HydrophobicContact CG2-CG1 4.38Å; I677-V724 HydrophobicContact CG2-CG2 4.26Å |
| 678 | F | 88.8 | Confident | 87.1 | Confident | 21 Ų | 21 | 22.5 Ų | 22.5 | 9% | 0.092 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.3 | -48.3 | 176.8 | 178.2 | -95.7 | 0 | 0 | 0 | 111.5 | L457 T674 I675 L676 Q682 L705 | L457-F678 HydrophobicContact CD1-CB 4.42Å; L457-F678 HydrophobicContact CD1-CD2 3.96Å; L457-F678 HydrophobicContact CD1-CG 4.31Å; T674-F678 VanDerWaalsContact O-CB 3.23Å; T674-F678 WeakPolarHBondContact O-CB 3.37Å; T674-F678 PolarHBondContact O-N 3.36Å; I675-F678 PolarHBondContact O-N 3.39Å; L676-F678 VanDerWaalsContact C-N 3.34Å; L676-F678 PolarHBondContact O-N 2.65Å; F678-Q682 HydrophobicContact CD2-CG 4.09Å; F678-Q682 HydrophobicContact CE1-CG 4.27Å; F678-Q682 HydrophobicContact CE2-CG 3.83Å; F678-Q682 HydrophobicContact CG-CG 4.43Å; F678-Q682 HydrophobicContact CZ-CG 3.93Å; F678-Q682 WeakPolarHBondContact O-CB 3.36Å; F678-Q682 VanDerWaalsContact O-CG 3.24Å; F678-Q682 WeakPolarHBondContact O-CG 3.09Å; F678-Q682 PolarHBondContact O-N 3.04Å; F678-L705 HydrophobicContact CD2-CD1 4.16Å; F678-L705 HydrophobicContact CD2-CD2 3.69Å; F678-L705 HydrophobicContact CE2-CD2 3.87Å |
| 679 | M | 84.4 | Confident | 86.8 | Confident | 9 Ų | 9 | 17.6 Ų | 17.6 | 4% | 0.044 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.3 | -47.6 | -179.6 | -68.5 | -63.2 | -77.5 | 0 | 0 | 111.7 | I675 L676 Q681 Q682 I683 P859 V862 L863 | I675-M679 HydrophobicContact CG2-CG 4.3Å; I675-M679 WeakPolarHBondContact O-CB 3.45Å; I675-M679 VanDerWaalsContact O-CG 3.26Å; I675-M679 WeakPolarHBondContact O-CG 3.24Å; I675-M679 PolarHBondContact O-N 2.94Å; L676-M679 PolarHBondContact O-N 3.13Å; M679-Q681 PolarHBondContact O-N 3.15Å; M679-Q682 PolarHBondContact O-N 3.41Å; M679-I683 HydrophobicContact CB-CD1 4.42Å; M679-I683 HydrophobicContact CE-CD1 4.24Å; M679-I683 WeakPolarHBondContact O-CB 3.41Å; M679-I683 WeakPolarHBondContact O-CD1 3.4Å; M679-I683 WeakPolarHBondContact O-CG1 3.39Å; M679-I683 PolarHBondContact O-N 3.38Å; M679-P859 HydrophobicContact CB-CB 4.42Å; M679-P859 HydrophobicContact CG-CB 4.15Å; M679-V862 HydrophobicContact CE-CB 3.74Å; M679-V862 HydrophobicContact CE-CG1 3.57Å; M679-L863 HydrophobicContact CE-CD2 3.76Å; M679-L863 HydrophobicContact CE-CG 3.78Å; M679-L863 HydrophobicContact SD-CD2 3.86Å; M679-L863 HydrophobicContact SD-CG 4.09Å |
| 680 | D | 84.6 | Confident | 86.3 | Confident | 12 Ų | 12 | 17.5 Ų | 17.5 | 6% | 0.064 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 179.4 | -84.7 | 4.3 | 0 | 0 | 0 | 111.4 | L676 T684 V724 | L676-D680 PolarHBondContact O-N 3.06Å; D680-T684 WeakPolarHBondContact O-CB 3.4Å; D680-T684 PolarHBondContact O-N 3.08Å; D680-T684 PolarHBondContact O-OG1 3.41Å; D680-V724 HydrophobicContact CB-CG1 3.59Å |
| 681 | Q | 89.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.6 | -48.8 | 179.9 | -175.5 | 63.2 | 32.6 | 0 | 0 | 112.2 | Y404 I677 M679 T684 A685 V708 | Y404-Q681 PolarHBondContact OH-NE2 3.29Å; Y404-Q681 VanDerWaalsContact OH-NE2 3.12Å; I677-Q681 VanDerWaalsContact O-CB 3.24Å; I677-Q681 WeakPolarHBondContact O-CB 3.33Å; I677-Q681 PolarHBondContact O-N 2.86Å; M679-Q681 PolarHBondContact O-N 3.15Å; Q681-T684 PolarHBondContact O-N 3.21Å; Q681-A685 WeakPolarHBondContact O-CB 3.48Å; Q681-A685 PolarHBondContact O-N 3.28Å; Q681-V708 HydrophobicContact CG-CG2 4.49Å |
| 682 | Q | 87.3 | Confident | 84.4 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.5 | -41 | -173.7 | -66.6 | -59.2 | -14.9 | 0 | 0 | 112.3 | V466 F678 M679 T684 A685 V686 | V466-Q682 HydrophobicContact CG2-CB 3.68Å; V466-Q682 HydrophobicContact CG2-CG 3.71Å; F678-Q682 HydrophobicContact CD2-CG 4.09Å; F678-Q682 HydrophobicContact CE1-CG 4.27Å; F678-Q682 HydrophobicContact CE2-CG 3.83Å; F678-Q682 HydrophobicContact CG-CG 4.43Å; F678-Q682 HydrophobicContact CZ-CG 3.93Å; F678-Q682 WeakPolarHBondContact O-CB 3.36Å; F678-Q682 VanDerWaalsContact O-CG 3.24Å; F678-Q682 WeakPolarHBondContact O-CG 3.09Å; F678-Q682 PolarHBondContact O-N 3.04Å; M679-Q682 PolarHBondContact O-N 3.41Å; Q682-T684 VanDerWaalsContact C-N 3.31Å; Q682-T684 PolarHBondContact O-N 3.03Å; Q682-A685 PolarHBondContact O-N 3.42Å; Q682-V686 WeakPolarHBondContact O-CG2 3.39Å; Q682-V686 PolarHBondContact O-N 3Å |
| 683 | I | 84.6 | Confident | 84 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 175.9 | -64.9 | 165.1 | 0 | 0 | 0 | 110 | I469 F477 M679 A685 V686 I687 V862 | I469-I683 HydrophobicContact CD1-CG1 3.95Å; F477-I683 HydrophobicContact CB-CG2 4.38Å; F477-I683 HydrophobicContact CD1-CB 4.33Å; F477-I683 HydrophobicContact CD1-CD1 4.32Å; F477-I683 HydrophobicContact CD1-CG2 3.41Å; F477-I683 VanDerWaalsContact CD1-CG2 3.41Å; F477-I683 HydrophobicContact CD2-CD1 4.31Å; F477-I683 HydrophobicContact CE1-CB 4.36Å; F477-I683 HydrophobicContact CE1-CD1 4.37Å; F477-I683 HydrophobicContact CE1-CG2 3.86Å; F477-I683 HydrophobicContact CE2-CD1 4.37Å; F477-I683 HydrophobicContact CG-CD1 4.26Å; F477-I683 HydrophobicContact CG-CG2 4.06Å; F477-I683 HydrophobicContact CZ-CD1 4.39Å; M679-I683 HydrophobicContact CB-CD1 4.42Å; M679-I683 HydrophobicContact CE-CD1 4.24Å; M679-I683 WeakPolarHBondContact O-CB 3.41Å; M679-I683 WeakPolarHBondContact O-CD1 3.4Å; M679-I683 WeakPolarHBondContact O-CG1 3.39Å; M679-I683 PolarHBondContact O-N 3.38Å; I683-A685 VanDerWaalsContact C-N 3.34Å; I683-A685 PolarHBondContact O-N 3.49Å; I683-V686 PolarHBondContact O-N 3.47Å; I683-I687 HydrophobicContact CG2-CD1 3.75Å; I683-I687 HydrophobicContact CG2-CG1 4.37Å; I683-I687 VanDerWaalsContact O-CG1 3.26Å; I683-I687 WeakPolarHBondContact O-CG1 3.27Å; I683-I687 PolarHBondContact O-N 3.35Å; I683-V862 HydrophobicContact CD1-CG1 3.74Å |
| 684 | T | 86.7 | Confident | 83.5 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 177.1 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | T413 D680 Q681 Q682 V686 I687 I688 A725 T727 | T413-T684 HydrophobicContact CG2-CG2 4.08Å; D680-T684 WeakPolarHBondContact O-CB 3.4Å; D680-T684 PolarHBondContact O-N 3.08Å; D680-T684 PolarHBondContact O-OG1 3.41Å; Q681-T684 PolarHBondContact O-N 3.21Å; Q682-T684 VanDerWaalsContact C-N 3.31Å; Q682-T684 PolarHBondContact O-N 3.03Å; T684-V686 PolarHBondContact O-N 2.86Å; T684-I687 PolarHBondContact O-N 2.91Å; T684-I688 HydrophobicContact CG2-CD1 3.88Å; T684-I688 WeakPolarHBondContact O-CD1 3.4Å; T684-I688 WeakPolarHBondContact O-CG1 3.26Å; T684-I688 PolarHBondContact O-N 3.38Å; T684-I688 VanDerWaalsContact O-N 3.15Å; T684-A725 HydrophobicContact CG2-CB 3.79Å; T684-T727 HydrophobicContact CG2-CG2 4.05Å; T684-T727 WeakPolarHBondContact OG1-CG2 3.4Å |
| 685 | A | 86.1 | Confident | 83 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q681 Q682 I683 I688 N689 Y701 | Q681-A685 WeakPolarHBondContact O-CB 3.48Å; Q681-A685 PolarHBondContact O-N 3.28Å; Q682-A685 PolarHBondContact O-N 3.42Å; I683-A685 VanDerWaalsContact C-N 3.34Å; I683-A685 PolarHBondContact O-N 3.49Å; A685-I688 PolarHBondContact O-N 3.05Å; A685-N689 VanDerWaalsContact O-CB 3.24Å; A685-N689 WeakPolarHBondContact O-CB 3.25Å; A685-N689 PolarHBondContact O-N 2.93Å; A685-N689 PolarHBondContact O-ND2 2.94Å; A685-N689 VanDerWaalsContact O-ND2 3.08Å; A685-Y701 HydrophobicContact CB-CD1 3.72Å; A685-Y701 HydrophobicContact CB-CE1 3.76Å |
| 686 | V | 82.8 | Confident | 82.4 | Confident | 21 Ų | 21 | 37 Ų | 37 | 13% | 0.127 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -46 | 175.6 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | V466 Q682 I683 T684 I688 N689 R690 Y701 | V466-V686 HydrophobicContact CG1-CG2 3.1Å; Q682-V686 WeakPolarHBondContact O-CG2 3.39Å; Q682-V686 PolarHBondContact O-N 3Å; I683-V686 PolarHBondContact O-N 3.47Å; T684-V686 PolarHBondContact O-N 2.86Å; V686-I688 VanDerWaalsContact C-N 3.27Å; V686-I688 PolarHBondContact O-N 3.49Å; V686-N689 CarbonylContact O-C 3.59Å; V686-N689 PolarHBondContact O-N 3.3Å; V686-N689 VanDerWaalsContact O-N 3.16Å; V686-R690 PolarHBondContact O-N 3.08Å; V686-Y701 HydrophobicContact CG2-CE1 4.06Å |
| 687 | I | 83.8 | Confident | 82.1 | Confident | 15 Ų | 15 | 37.6 Ų | 37.6 | 8% | 0.077 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.2 | -41.3 | 180 | -67.1 | 163.2 | 0 | 0 | 0 | 111.6 | E474 A478 I683 T684 R690 T727 I731 | E474-I687 HydrophobicContact CG-CD1 4.17Å; E474-I687 HydrophobicContact CG-CG1 3.34Å; E474-I687 VanDerWaalsContact OE1-CA 3.3Å; E474-I687 WeakPolarHBondContact OE1-CA 3.4Å; E474-I687 WeakPolarHBondContact OE1-CG1 3.48Å; A478-I687 HydrophobicContact CB-CD1 4.24Å; I683-I687 HydrophobicContact CG2-CD1 3.75Å; I683-I687 HydrophobicContact CG2-CG1 4.37Å; I683-I687 VanDerWaalsContact O-CG1 3.26Å; I683-I687 WeakPolarHBondContact O-CG1 3.27Å; I683-I687 PolarHBondContact O-N 3.35Å; T684-I687 PolarHBondContact O-N 2.91Å; I687-R690 WeakPolarHBondContact O-CB 3.49Å; I687-T727 HydrophobicContact CD1-CG2 4.01Å; I687-I731 HydrophobicContact CG2-CD1 3.82Å; I687-I731 HydrophobicContact CG2-CG1 3.78Å |
| 688 | I | 84.8 | Confident | 81.2 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.7 | -41.8 | 179.5 | -64.3 | 163 | 0 | 0 | 0 | 110.5 | Q410 L412 T413 T684 A685 V686 R690 N693 L695 V734 | Q410-I688 HydrophobicContact CG-CG2 3.89Å; L412-I688 HydrophobicContact CB-CG2 4.14Å; L412-I688 HydrophobicContact CD1-CG2 4.45Å; T413-I688 HydrophobicContact CG2-CD1 4.16Å; T413-I688 WeakPolarHBondContact OG1-CD1 3.05Å; T684-I688 HydrophobicContact CG2-CD1 3.88Å; T684-I688 WeakPolarHBondContact O-CD1 3.4Å; T684-I688 WeakPolarHBondContact O-CG1 3.26Å; T684-I688 PolarHBondContact O-N 3.38Å; T684-I688 VanDerWaalsContact O-N 3.15Å; A685-I688 PolarHBondContact O-N 3.05Å; V686-I688 VanDerWaalsContact C-N 3.27Å; V686-I688 PolarHBondContact O-N 3.49Å; I688-R690 PolarHBondContact O-N 3.25Å; I688-N693 PolarHBondContact O-ND2 3.45Å; I688-L695 WeakPolarHBondContact O-CD1 3.34Å; I688-V734 HydrophobicContact CG1-CG2 4.36Å; I688-V734 HydrophobicContact CG2-CG2 3.87Å |
| 689 | N | 82.6 | Confident | 80.6 | Confident | 27 Ų | 27 | 38.1 Ų | 38.1 | 14% | 0.144 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 16.9 | -176 | -64.7 | -24.2 | 0 | 0 | 0 | 114.1 | Q410 A685 V686 K691 C699 | Q410-N689 PolarHBondContact NE2-OD1 3.03Å; A685-N689 VanDerWaalsContact O-CB 3.24Å; A685-N689 WeakPolarHBondContact O-CB 3.25Å; A685-N689 PolarHBondContact O-N 2.93Å; A685-N689 PolarHBondContact O-ND2 2.94Å; A685-N689 VanDerWaalsContact O-ND2 3.08Å; V686-N689 CarbonylContact O-C 3.59Å; V686-N689 PolarHBondContact O-N 3.3Å; V686-N689 VanDerWaalsContact O-N 3.16Å; N689-K691 PolarHBondContact O-N 3.49Å; N689-C699 HydrophobicContact CB-CB 4.48Å; N689-C699 VanDerWaalsContact ND2-CB 3.31Å; N689-C699 WeakPolarHBondContact ND2-CB 3.4Å |
| 690 | R | 77.4 | Confident | 80.6 | Confident | 41 Ų | 41 | 37.8 Ų | 37.8 | 16% | 0.155 | 18% | 0.181 | C | C | . | . | trans | -59.8 | 135.1 | 179.9 | -158.9 | 162.5 | -168.9 | -115.3 | -38.7 | 111.5 | V686 I687 I688 E692 N693 | V686-R690 PolarHBondContact O-N 3.08Å; I687-R690 WeakPolarHBondContact O-CB 3.49Å; I688-R690 PolarHBondContact O-N 3.25Å; R690-E692 HydrophobicContact CG-CB 4.19Å; R690-E692 HydrophobicContact CG-CG 4.3Å; R690-E692 IonicContact CZ-OE1 2.75Å; R690-E692 IonicContact CZ-OE2 2.77Å; R690-E692 IonicContact NH1-OE1 3.94Å; R690-E692 PolarHBondContact NH1-OE1 3.18Å; R690-E692 IonicContact NH1-OE2 3.74Å; R690-E692 PolarHBondContact NH1-OE2 2.84Å; R690-E692 IonicContact NH2-OE1 3.63Å; R690-E692 PolarHBondContact NH2-OE1 3.28Å; R690-E692 IonicContact NH2-OE2 3.31Å; R690-E692 PolarHBondContact NH2-OE2 3.23Å; R690-E692 PolarHBondContact O-N 3.48Å; R690-E692 VanDerWaalsContact O-N 3.11Å; R690-N693 VanDerWaalsContact O-CB 3.3Å; R690-N693 WeakPolarHBondContact O-CB 3.34Å; R690-N693 PolarHBondContact O-N 3.27Å | ||
| 691 | K | 70.9 | Confident | 80.8 | Confident | 168 Ų | 168 | 38 Ų | 38 | 73% | 0.73 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -57.7 | -28.5 | 177.2 | -68.2 | -178.4 | -178.4 | 173.6 | 0 | 112.8 | N689 N693 K694 | N689-K691 PolarHBondContact O-N 3.49Å; K691-N693 PolarHBondContact O-N 3.03Å; K691-K694 PolarHBondContact O-N 3.21Å |
| 692 | E | 71.7 | Confident | 80.8 | Confident | 79 Ų | 79 | 38.3 Ų | 38.3 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -58.6 | -30 | 174.2 | -67.8 | -169.7 | 175.8 | 0 | 0 | 113.4 | R471 R690 K694 F752 L887 | R471-E692 IonicContact NH2-OE1 2.8Å; R690-E692 HydrophobicContact CG-CB 4.19Å; R690-E692 HydrophobicContact CG-CG 4.3Å; R690-E692 IonicContact CZ-OE1 2.75Å; R690-E692 IonicContact CZ-OE2 2.77Å; R690-E692 IonicContact NH1-OE1 3.94Å; R690-E692 PolarHBondContact NH1-OE1 3.18Å; R690-E692 IonicContact NH1-OE2 3.74Å; R690-E692 PolarHBondContact NH1-OE2 2.84Å; R690-E692 IonicContact NH2-OE1 3.63Å; R690-E692 PolarHBondContact NH2-OE1 3.28Å; R690-E692 IonicContact NH2-OE2 3.31Å; R690-E692 PolarHBondContact NH2-OE2 3.23Å; R690-E692 PolarHBondContact O-N 3.48Å; R690-E692 VanDerWaalsContact O-N 3.11Å; E692-K694 PolarHBondContact O-N 3.2Å; E692-F752 WeakPolarHBondContact O-CE1 3.38Å; E692-L887 HydrophobicContact CG-CD1 3.89Å; E692-L887 WeakPolarHBondContact OE1-CD1 3.49Å |
| 693 | N | 76.8 | Confident | 80.9 | Confident | 28 Ų | 28 | 39.5 Ų | 39.5 | 15% | 0.15 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -75 | -7.7 | 179.6 | -71.9 | -22.9 | 0 | 0 | 0 | 112.6 | I688 R690 K691 L695 I755 | I688-N693 PolarHBondContact O-ND2 3.45Å; R690-N693 VanDerWaalsContact O-CB 3.3Å; R690-N693 WeakPolarHBondContact O-CB 3.34Å; R690-N693 PolarHBondContact O-N 3.27Å; K691-N693 PolarHBondContact O-N 3.03Å; N693-L695 HydrophobicContact CB-CD1 4.47Å; N693-L695 HydrophobicContact CB-CD2 4.46Å; N693-L695 HydrophobicContact CB-CG 4Å; N693-L695 PolarHBondContact O-N 2.92Å; N693-I755 HydrophobicContact CB-CD1 3.4Å; N693-I755 WeakPolarHBondContact O-CD1 3.46Å |
| 694 | K | 78.3 | Confident | 81.2 | Confident | 117 Ų | 117 | 39.4 Ų | 39.4 | 51% | 0.509 | 19% | 0.188 | S | C | . | . | trans | 46.5 | 44.7 | -180 | -60.3 | -177.9 | -177.6 | 179.4 | 0 | 112.5 | K691 E692 F752 | K691-K694 PolarHBondContact O-N 3.21Å; E692-K694 PolarHBondContact O-N 3.2Å; K694-F752 HydrophobicContact CB-CE1 4.25Å; K694-F752 HydrophobicContact CD-CD1 4.04Å; K694-F752 HydrophobicContact CD-CE1 4.14Å; K694-F752 HydrophobicContact CG-CD1 4.44Å; K694-F752 HydrophobicContact CG-CE1 4.09Å; K694-F752 PolarHBondContact NZ-O 3.31Å | ||
| 695 | L | 80.9 | Confident | 81.4 | Confident | 43 Ų | 43 | 39.3 Ų | 39.3 | 23% | 0.225 | 19% | 0.187 | C | C | . | . | trans | -65.1 | 137.5 | 175.9 | -68.4 | 178.3 | 0 | 0 | 0 | 110 | L412 I688 N693 I755 E757 | L412-L695 HydrophobicContact CD1-CD2 4.11Å; I688-L695 WeakPolarHBondContact O-CD1 3.34Å; N693-L695 HydrophobicContact CB-CD1 4.47Å; N693-L695 HydrophobicContact CB-CD2 4.46Å; N693-L695 HydrophobicContact CB-CG 4Å; N693-L695 PolarHBondContact O-N 2.92Å; L695-I755 HydrophobicContact CD2-CB 4.06Å; L695-I755 HydrophobicContact CD2-CG2 4.24Å; L695-E757 VanDerWaalsContact CA-OE1 3.28Å; L695-E757 WeakPolarHBondContact CA-OE1 3.45Å; L695-E757 WeakPolarHBondContact CB-OE1 3.22Å; L695-E757 HydrophobicContact CD2-CG 3.87Å; L695-E757 WeakPolarHBondContact CD2-OE1 3.33Å | ||
| 696 | K | 75.5 | Confident | 81.7 | Confident | 181 Ų | 181 | 40.8 Ų | 40.8 | 79% | 0.787 | 20% | 0.195 | S | C | * | . | trans | -103.9 | -34.3 | -171.7 | -69.1 | -174.4 | 179.8 | -178.1 | 0 | 112.1 | E757 | K696-E757 PolarHBondContact N-OE1 3.05Š| ||
| 697 | K | 79.1 | Confident | 82.2 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 9% | 0.087 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -91.7 | 118.5 | 178.9 | -60.1 | 163.4 | -168.1 | 177.4 | 0 | 107.1 | H345 D349 D352 E757 | H345-K697 HydrophobicContact CB-CD 4.05Å; H345-K697 HydrophobicContact CB-CG 4.11Å; D349-K697 VanDerWaalsContact OD1-CD 3.28Å; D349-K697 WeakPolarHBondContact OD1-CD 3.26Å; D349-K697 WeakPolarHBondContact OD1-CE 3.41Å; D349-K697 IonicContact OD1-NZ 3.59Å; D349-K697 PolarHBondContact OD1-NZ 2.91Å; D352-K697 IonicContact OD2-NZ 3.28Å; D352-K697 PolarHBondContact OD2-NZ 3.45Å; K697-E757 WeakPolarHBondContact CB-OE2 3.4Å; K697-E757 HydrophobicContact CD-CB 3.9Å; K697-E757 WeakPolarHBondContact CD-OE2 3.33Å; K697-E757 WeakPolarHBondContact CG-OE2 3.39Å; K697-E757 PolarHBondContact N-OE1 3.41Å; K697-E757 PolarHBondContact N-OE2 3.16Å; K697-E757 PolarHBondContact NZ-O 2.8Å |
| 698 | G | 69 | Low | 82.6 | Confident | 24 Ų | 24 | 40.3 Ų | 40.3 | 25% | 0.247 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -51.4 | 160.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 699 | C | 75.9 | Confident | 83 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -92 | 167.9 | -171.1 | 74.5 | 0 | 0 | 0 | 0 | 113 | E324 R341 N689 Y701 | E324-C699 VanDerWaalsContact CD-SG 3.54Å; E324-C699 PolarHBondContact OE1-N 3.17Å; E324-C699 PolarHBondContact OE2-SG 3.45Å; R341-C699 PolarHBondContact NH1-O 3.15Å; N689-C699 HydrophobicContact CB-CB 4.48Å; N689-C699 VanDerWaalsContact ND2-CB 3.31Å; N689-C699 WeakPolarHBondContact ND2-CB 3.4Å; C699-Y701 HydrophobicContact CB-CE2 4.38Å; C699-Y701 WeakPolarHBondContact SG-CE2 3.37Å |
| 700 | G | 84.9 | Confident | 83.6 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | trans | -144.6 | 87.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | D338 D704 | D338-G700 WeakPolarHBondContact OD2-CA 3.06Å; G700-D704 VanDerWaalsContact O-CG 3.25Å; G700-D704 PolarHBondContact O-N 3.22Å | ||
| 701 | Y | 87.4 | Confident | 84.3 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 6% | 0.059 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.8 | -37 | -178.6 | -63.7 | -80.2 | 0 | 0 | 0 | 113.2 | L325 D338 V466 A685 V686 C699 L705 | L325-Y701 HydrophobicContact CD1-CE2 4.08Å; L325-Y701 HydrophobicContact CD2-CD2 3.81Å; L325-Y701 HydrophobicContact CD2-CE2 3.91Å; L325-Y701 HydrophobicContact CD2-CG 4.43Å; L325-Y701 HydrophobicContact CG-CD2 4.24Å; L325-Y701 HydrophobicContact CG-CE2 4.03Å; D338-Y701 PolarHBondContact OD2-N 2.92Å; V466-Y701 HydrophobicContact CG1-CE1 4.44Å; A685-Y701 HydrophobicContact CB-CD1 3.72Å; A685-Y701 HydrophobicContact CB-CE1 3.76Å; V686-Y701 HydrophobicContact CG2-CE1 4.06Å; C699-Y701 HydrophobicContact CB-CE2 4.38Å; C699-Y701 WeakPolarHBondContact SG-CE2 3.37Å; Y701-L705 PolarHBondContact O-N 3.33Å |
| 702 | H | 89.4 | Confident | 85.4 | Confident | 8 Ų | 8 | 33.6 Ų | 33.6 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74 | -39 | -178.6 | -61.6 | 84.5 | 0 | 0 | 0 | 110.8 | L335 D338 V458 D461 S463 L705 L706 | L335-H702 HydrophobicContact CB-CB 4.27Å; L335-H702 HydrophobicContact CD1-CB 4.3Å; D338-H702 VanDerWaalsContact OD2-CB 3.31Å; D338-H702 WeakPolarHBondContact OD2-CB 3.39Å; D338-H702 IonicContact OD2-CG 2.65Å; D338-H702 PolarHBondContact OD2-N 2.69Å; D338-H702 IonicContact OD2-ND1 2.98Å; D338-H702 PolarHBondContact OD2-ND1 3.15Å; V458-H702 HydrophobicContact CG1-CB 4.34Å; D461-H702 IonicContact OD1-NE2 2.68Å; S463-H702 VanDerWaalsContact CB-NE2 3.33Å; S463-H702 WeakPolarHBondContact CB-NE2 3.36Å; S463-H702 PolarHBondContact OG-CD2 3.11Å; S463-H702 PolarHBondContact OG-NE2 2.87Å; H702-L705 PolarHBondContact O-N 2.7Å; H702-L706 WeakPolarHBondContact O-CB 3.16Å; H702-L706 PolarHBondContact O-N 3.06Å |
| 703 | L | 90.3 | Very high | 86.4 | Confident | 25 Ų | 25 | 30.3 Ų | 30.3 | 13% | 0.131 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 178.1 | -175.4 | 59.6 | 0 | 0 | 0 | 111.5 | L335 D338 I339 L706 M707 | L335-L703 HydrophobicContact CD1-CB 4.15Å; L335-L703 HydrophobicContact CD1-CD1 4.04Å; D338-L703 HydrophobicContact CB-CB 4.35Å; I339-L703 HydrophobicContact CG1-CD1 4.22Å; I339-L703 HydrophobicContact CG1-CD2 4.42Å; L703-L706 PolarHBondContact O-N 3.31Å; L703-M707 WeakPolarHBondContact O-CB 3.26Å; L703-M707 PolarHBondContact O-N 2.97Å |
| 704 | D | 91.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 176.3 | -74.1 | -7.8 | 0 | 0 | 0 | 111.8 | Y404 A408 G409 Q410 G700 L706 M707 V708 | Y404-D704 HydrophobicContact CE2-CB 4.43Å; Y404-D704 VanDerWaalsContact OH-CG 3.24Å; Y404-D704 PolarHBondContact OH-OD1 3.29Å; Y404-D704 PolarHBondContact OH-OD2 2.93Å; A408-D704 WeakPolarHBondContact CB-OD1 3.29Å; G409-D704 VanDerWaalsContact CA-OD1 3.3Å; G409-D704 WeakPolarHBondContact CA-OD1 3.19Å; G409-D704 PolarHBondContact N-OD1 3.48Å; Q410-D704 WeakPolarHBondContact CB-OD2 3.49Å; Q410-D704 PolarHBondContact N-OD1 3.36Å; Q410-D704 PolarHBondContact N-OD2 3.44Å; G700-D704 VanDerWaalsContact O-CG 3.25Å; G700-D704 PolarHBondContact O-N 3.22Å; D704-L706 PolarHBondContact O-N 3.33Å; D704-M707 PolarHBondContact O-N 3.13Å; D704-V708 WeakPolarHBondContact O-CG2 3.37Å; D704-V708 PolarHBondContact O-N 3.04Å |
| 705 | L | 90.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 179.1 | -177.5 | 64.4 | 0 | 0 | 0 | 112.2 | L457 V458 F678 Y701 H702 G709 | L457-L705 HydrophobicContact CB-CD2 4.32Å; V458-L705 HydrophobicContact CG2-CB 3.98Å; V458-L705 HydrophobicContact CG2-CD2 3.72Å; V458-L705 HydrophobicContact CG2-CG 3.8Å; F678-L705 HydrophobicContact CD2-CD1 4.16Å; F678-L705 HydrophobicContact CD2-CD2 3.69Å; F678-L705 HydrophobicContact CE2-CD2 3.87Å; Y701-L705 PolarHBondContact O-N 3.33Å; H702-L705 PolarHBondContact O-N 2.7Å; L705-G709 PolarHBondContact O-N 3.44Å |
| 706 | L | 92.8 | Very high | 88.3 | Confident | 30 Ų | 30 | 24.1 Ų | 24.1 | 16% | 0.157 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 175.7 | -178.6 | 70.8 | 0 | 0 | 0 | 111 | L335 I455 V458 H702 L703 D704 V708 G709 I710 | L335-L706 HydrophobicContact CD1-CB 4.47Å; L335-L706 HydrophobicContact CD1-CD2 3.87Å; L335-L706 HydrophobicContact CD2-CD2 3.69Å; L335-L706 HydrophobicContact CG-CD2 4.44Å; I455-L706 HydrophobicContact CG1-CD1 4.19Å; V458-L706 HydrophobicContact CG1-CB 4.39Å; V458-L706 HydrophobicContact CG2-CB 4.18Å; H702-L706 WeakPolarHBondContact O-CB 3.16Å; H702-L706 PolarHBondContact O-N 3.06Å; L703-L706 PolarHBondContact O-N 3.31Å; D704-L706 PolarHBondContact O-N 3.33Å; L706-V708 PolarHBondContact O-N 2.98Å; L706-G709 PolarHBondContact O-N 2.9Å; L706-I710 HydrophobicContact CD1-CD1 4.24Å; L706-I710 HydrophobicContact CD2-CD1 4.47Å; L706-I710 HydrophobicContact CG-CD1 3.94Å; L706-I710 WeakPolarHBondContact O-CG1 3.39Å; L706-I710 PolarHBondContact O-N 3.29Å |
| 707 | M | 92.8 | Very high | 89 | Confident | 24 Ų | 24 | 17.6 Ų | 17.6 | 12% | 0.118 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | -177.2 | -168.2 | 56.5 | -164.4 | 0 | 0 | 111.7 | A403 Y404 C407 L703 D704 I710 M711 | A403-M707 VanDerWaalsContact C-CE 3.41Å; A403-M707 HydrophobicContact CB-CE 3.38Å; A403-M707 VanDerWaalsContact O-CE 3.31Å; A403-M707 WeakPolarHBondContact O-CE 3.33Å; Y404-M707 HydrophobicContact CD2-CB 4.3Å; Y404-M707 HydrophobicContact CD2-CG 4.13Å; C407-M707 HydrophobicContact CB-CE 4.1Å; C407-M707 HydrophobicContact CB-CG 4.19Å; C407-M707 HydrophobicContact CB-SD 3.72Å; L703-M707 WeakPolarHBondContact O-CB 3.26Å; L703-M707 PolarHBondContact O-N 2.97Å; D704-M707 PolarHBondContact O-N 3.13Å; M707-I710 PolarHBondContact O-N 3.11Å; M707-M711 HydrophobicContact CE-CG 3.69Å; M707-M711 HydrophobicContact CE-SD 3.86Å; M707-M711 WeakPolarHBondContact O-CB 3.4Å; M707-M711 WeakPolarHBondContact O-CG 3.24Å; M707-M711 PolarHBondContact O-N 3.43Å |
| 708 | V | 92.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 173.3 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | Y404 L415 I677 Q681 D704 L706 I710 M711 L712 | Y404-V708 HydrophobicContact CD2-CG2 4.01Å; Y404-V708 HydrophobicContact CE2-CG2 3.77Å; L415-V708 HydrophobicContact CD2-CG2 4.09Å; I677-V708 HydrophobicContact CG2-CG1 3.84Å; Q681-V708 HydrophobicContact CG-CG2 4.49Å; D704-V708 WeakPolarHBondContact O-CG2 3.37Å; D704-V708 PolarHBondContact O-N 3.04Å; L706-V708 PolarHBondContact O-N 2.98Å; V708-I710 PolarHBondContact O-N 3.09Å; V708-M711 PolarHBondContact O-N 2.88Å; V708-L712 VanDerWaalsContact O-CB 3.25Å; V708-L712 WeakPolarHBondContact O-CB 3.11Å; V708-L712 PolarHBondContact O-N 3.3Å |
| 709 | G | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A451 L705 L706 L712 G713 | A451-G709 WeakPolarHBondContact CB-O 3.41Å; L705-G709 PolarHBondContact O-N 3.44Å; L706-G709 PolarHBondContact O-N 2.9Å; G709-L712 PolarHBondContact O-N 2.91Å; G709-G713 PolarHBondContact O-N 3.19Å; G709-G713 VanDerWaalsContact O-N 3.17Å |
| 710 | I | 93.9 | Very high | 90.9 | Very high | 77 Ų | 77 | 17 Ų | 17 | 40% | 0.395 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -63.4 | -49.7 | 176.4 | -68.2 | 169.1 | 0 | 0 | 0 | 110.4 | L706 M707 V708 L712 G713 V714 | L706-I710 HydrophobicContact CD1-CD1 4.24Å; L706-I710 HydrophobicContact CD2-CD1 4.47Å; L706-I710 HydrophobicContact CG-CD1 3.94Å; L706-I710 WeakPolarHBondContact O-CG1 3.39Å; L706-I710 PolarHBondContact O-N 3.29Å; M707-I710 PolarHBondContact O-N 3.11Å; V708-I710 PolarHBondContact O-N 3.09Å; I710-L712 VanDerWaalsContact C-N 3.28Å; I710-L712 PolarHBondContact O-N 3.27Å; I710-G713 PolarHBondContact O-N 3.12Å; I710-G713 VanDerWaalsContact O-N 3.14Å; I710-V714 PolarHBondContact O-N 3.03Å; I710-V714 VanDerWaalsContact O-N 3.07Å |
| 711 | M | 93.4 | Very high | 91.1 | Very high | 14 Ų | 14 | 17.2 Ų | 17.2 | 7% | 0.069 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.4 | -32.4 | -178.9 | -74.2 | -45.4 | -53.9 | 0 | 0 | 112.8 | L399 T400 A403 M707 V708 V714 C715 | L399-M711 HydrophobicContact CD2-CE 4.41Å; L399-M711 HydrophobicContact CG-CE 3.98Å; T400-M711 HydrophobicContact CG2-CB 4.16Å; T400-M711 HydrophobicContact CG2-CE 4Å; A403-M711 HydrophobicContact CB-CE 4.11Å; A403-M711 HydrophobicContact CB-CG 4.06Å; A403-M711 HydrophobicContact CB-SD 3.49Å; A403-M711 WeakPolarHBondContact CB-SD 3.03Å; M707-M711 HydrophobicContact CE-CG 3.69Å; M707-M711 HydrophobicContact CE-SD 3.86Å; M707-M711 WeakPolarHBondContact O-CB 3.4Å; M707-M711 WeakPolarHBondContact O-CG 3.24Å; M707-M711 PolarHBondContact O-N 3.43Å; V708-M711 PolarHBondContact O-N 2.88Å; M711-V714 HydrophobicContact CE-CB 4.27Å; M711-V714 HydrophobicContact CE-CG1 4.28Å; M711-V714 PolarHBondContact O-N 3.32Å; M711-C715 WeakPolarHBondContact O-CB 3.38Å; M711-C715 PolarHBondContact O-N 3.08Å; M711-C715 PolarHBondContact O-SG 3.01Å; M711-C715 VanDerWaalsContact O-SG 3.41Å |
| 712 | L | 92.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 16.5 Ų | 16.5 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 172.4 | -173.8 | 153.2 | 0 | 0 | 0 | 111.5 | G447 T450 A451 I677 V708 G709 I710 V714 C715 S716 W722 | G447-L712 WeakPolarHBondContact O-CD2 3.38Å; T450-L712 WeakPolarHBondContact OG1-CD2 3.44Å; A451-L712 HydrophobicContact CB-CD2 4.37Å; I677-L712 HydrophobicContact CD1-CD1 3.18Å; I677-L712 HydrophobicContact CG1-CD1 4.36Å; V708-L712 VanDerWaalsContact O-CB 3.25Å; V708-L712 WeakPolarHBondContact O-CB 3.11Å; V708-L712 PolarHBondContact O-N 3.3Å; G709-L712 PolarHBondContact O-N 2.91Å; I710-L712 VanDerWaalsContact C-N 3.28Å; I710-L712 PolarHBondContact O-N 3.27Å; L712-V714 PolarHBondContact O-N 3.17Å; L712-C715 PolarHBondContact O-N 3.4Å; L712-S716 WeakPolarHBondContact O-CB 3.27Å; L712-S716 PolarHBondContact O-N 2.98Å; L712-S716 PolarHBondContact O-OG 3.25Å; L712-W722 HydrophobicContact CD1-CB 4.49Å; L712-W722 HydrophobicContact CD1-CG 4.33Å; L712-W722 HydrophobicContact CG-CG 4.21Å |
| 713 | G | 93.1 | Very high | 91.4 | Very high | 10 Ų | 10 | 16.6 Ų | 16.6 | 10% | 0.103 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.3 | -47.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G709 I710 S716 V717 | G709-G713 PolarHBondContact O-N 3.19Å; G709-G713 VanDerWaalsContact O-N 3.17Å; I710-G713 PolarHBondContact O-N 3.12Å; I710-G713 VanDerWaalsContact O-N 3.14Å; G713-S716 WeakPolarHBondContact O-CB 3.32Å; G713-S716 PolarHBondContact O-N 3.41Å; G713-V717 WeakPolarHBondContact O-CG2 3.08Å; G713-V717 PolarHBondContact O-N 3.28Å; G713-V717 VanDerWaalsContact O-N 3.09Å |
| 714 | V | 92.8 | Very high | 91.4 | Very high | 58 Ų | 58 | 15.4 Ų | 15.4 | 35% | 0.352 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -60.4 | -49.6 | 176.8 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | L399 I710 M711 L712 S716 V717 M718 | L399-V714 HydrophobicContact CD2-CG1 4.29Å; I710-V714 PolarHBondContact O-N 3.03Å; I710-V714 VanDerWaalsContact O-N 3.07Å; M711-V714 HydrophobicContact CE-CB 4.27Å; M711-V714 HydrophobicContact CE-CG1 4.28Å; M711-V714 PolarHBondContact O-N 3.32Å; L712-V714 PolarHBondContact O-N 3.17Å; V714-S716 PolarHBondContact O-N 3.46Å; V714-V717 PolarHBondContact O-N 3.21Å; V714-M718 HydrophobicContact CG1-CG 4.48Å; V714-M718 HydrophobicContact CG1-SD 3.84Å; V714-M718 WeakPolarHBondContact O-CG 3.37Å; V714-M718 PolarHBondContact O-N 3.36Å |
| 715 | C | 91.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.2 | -35.6 | 176.6 | -76.2 | 0 | 0 | 0 | 0 | 112.6 | T400 M711 L712 M718 G719 L720 | T400-C715 WeakPolarHBondContact CG2-SG 3.31Å; M711-C715 WeakPolarHBondContact O-CB 3.38Å; M711-C715 PolarHBondContact O-N 3.08Å; M711-C715 PolarHBondContact O-SG 3.01Å; M711-C715 VanDerWaalsContact O-SG 3.41Å; L712-C715 PolarHBondContact O-N 3.4Å; C715-M718 PolarHBondContact O-N 3.17Å; C715-G719 PolarHBondContact O-N 3.47Å; C715-L720 HydrophobicContact CB-CB 4Å; C715-L720 PolarHBondContact O-N 3.41Å |
| 716 | S | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.8 | -37.7 | -179.9 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | T444 G447 L712 G713 V714 W722 | T444-S716 PolarHBondContact OG1-O 3.31Å; G447-S716 VanDerWaalsContact CA-OG 3.24Å; G447-S716 WeakPolarHBondContact CA-OG 3.24Å; L712-S716 WeakPolarHBondContact O-CB 3.27Å; L712-S716 PolarHBondContact O-N 2.98Å; L712-S716 PolarHBondContact O-OG 3.25Å; G713-S716 WeakPolarHBondContact O-CB 3.32Å; G713-S716 PolarHBondContact O-N 3.41Å; V714-S716 PolarHBondContact O-N 3.46Å; S716-W722 PolarHBondContact OG-NE1 3.09Å |
| 717 | V | 90.9 | Very high | 90.9 | Very high | 45 Ų | 45 | 15.3 Ų | 15.3 | 27% | 0.273 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -71 | -36.4 | 174.7 | 174.5 | 0 | 0 | 0 | 0 | 111 | L448 L651 I652 G713 V714 G719 | L448-V717 HydrophobicContact CD2-CG2 4.09Å; L651-V717 HydrophobicContact CD1-CG1 3.59Å; L651-V717 HydrophobicContact CG-CG1 4.08Å; I652-V717 PolarHBondContact N-O 3.49Å; G713-V717 WeakPolarHBondContact O-CG2 3.08Å; G713-V717 PolarHBondContact O-N 3.28Å; G713-V717 VanDerWaalsContact O-N 3.09Å; V714-V717 PolarHBondContact O-N 3.21Å; V717-G719 VanDerWaalsContact C-N 3.31Å |
| 718 | M | 88.1 | Confident | 90.5 | Very high | 41 Ų | 41 | 14.3 Ų | 14.3 | 20% | 0.202 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -81.2 | -7.2 | 178.8 | -64.8 | -177.1 | 76.5 | 0 | 0 | 114.1 | F395 L399 W650 V714 C715 L720 | F395-M718 HydrophobicContact CE1-CE 3.62Å; F395-M718 HydrophobicContact CZ-CE 4.18Å; L399-M718 HydrophobicContact CD2-CE 4.32Å; L399-M718 HydrophobicContact CD2-SD 3.71Å; W650-M718 CarbonylContact O-C 3.53Å; W650-M718 VanDerWaalsContact O-C 3.28Å; W650-M718 WeakPolarHBondContact O-CA 3.42Å; V714-M718 HydrophobicContact CG1-CG 4.48Å; V714-M718 HydrophobicContact CG1-SD 3.84Å; V714-M718 WeakPolarHBondContact O-CG 3.37Å; V714-M718 PolarHBondContact O-N 3.36Å; C715-M718 PolarHBondContact O-N 3.17Å; M718-L720 VanDerWaalsContact C-N 3.31Å; M718-L720 HydrophobicContact CB-CD1 3.83Å; M718-L720 HydrophobicContact CB-CG 3.79Å; M718-L720 HydrophobicContact CE-CD1 4.33Å; M718-L720 PolarHBondContact O-N 3.07Å; M718-L720 HydrophobicContact SD-CD1 4.14Å |
| 719 | G | 85.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 28.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | C715 V717 | C715-G719 PolarHBondContact O-N 3.47Å; V717-G719 VanDerWaalsContact C-N 3.31Å |
| 720 | L | 89.4 | Confident | 90 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | P | Polyproline II helix | trans | -91.6 | 154.1 | 176.6 | -54.3 | 174.9 | 0 | 0 | 0 | 109.6 | E392 F395 L399 R443 W650 C715 M718 | E392-L720 HydrophobicContact CB-CD2 4.03Å; E392-L720 HydrophobicContact CG-CD2 4.43Å; F395-L720 HydrophobicContact CD1-CD1 3.9Å; F395-L720 HydrophobicContact CD1-CD2 3.87Å; F395-L720 HydrophobicContact CE1-CD1 4.11Å; L399-L720 HydrophobicContact CD2-CD1 4.27Å; R443-L720 PolarHBondContact NH2-O 2.87Å; W650-L720 HydrophobicContact CE3-CD2 4.35Å; W650-L720 HydrophobicContact CZ3-CD2 3.89Å; C715-L720 HydrophobicContact CB-CB 4Å; C715-L720 PolarHBondContact O-N 3.41Å; M718-L720 VanDerWaalsContact C-N 3.31Å; M718-L720 HydrophobicContact CB-CD1 3.83Å; M718-L720 HydrophobicContact CB-CG 3.79Å; M718-L720 HydrophobicContact CE-CD1 4.33Å; M718-L720 PolarHBondContact O-N 3.07Å; M718-L720 HydrophobicContact SD-CD1 4.14Å |
| 721 | P | 89.9 | Confident | 89.6 | Confident | 5 Ų | 5 | 12.5 Ų | 12.5 | 3% | 0.032 | 7% | 0.074 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 154.8 | 172.2 | 22.5 | -27.7 | 0 | 0 | 0 | 111.5 | L380 F723 | L380-P721 HydrophobicContact CD2-CB 4.16Å; P721-F723 HydrophobicContact CB-CE2 4.31Å; P721-F723 HydrophobicContact CB-CZ 4.45Å; P721-F723 HydrophobicContact CG-CE2 3.77Å; P721-F723 HydrophobicContact CG-CZ 3.8Å; P721-F723 VanDerWaalsContact O-CD2 3.22Å; P721-F723 WeakPolarHBondContact O-CD2 2.96Å; P721-F723 VanDerWaalsContact O-CE2 3.23Å; P721-F723 WeakPolarHBondContact O-CE2 3.25Å |
| 722 | W | 91.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 12.4 Ų | 12.4 | 0% | 0.004 | 7% | 0.074 | C | C | . | . | P | Polyproline II helix | trans | -84 | 133.3 | 177.5 | -55.4 | -37.6 | 0 | 0 | 0 | 110.4 | V421 F424 R443 I446 C673 L712 S716 | V421-W722 HydrophobicContact CG1-CB 4.17Å; V421-W722 HydrophobicContact CG1-CE3 4.28Å; F424-W722 HydrophobicContact CD1-CH2 4.39Å; F424-W722 AromaticContact CD1-CZ3 3.67Å; F424-W722 HydrophobicContact CD1-CZ3 3.67Å; F424-W722 AromaticContact CE1-CH2 3.8Å; F424-W722 HydrophobicContact CE1-CH2 3.8Å; F424-W722 AromaticContact CE1-CZ3 3.48Å; F424-W722 HydrophobicContact CE1-CZ3 3.48Å; F424-W722 VanDerWaalsContact CE1-CZ3 3.48Å; R443-W722 HydrophobicContact CG-CH2 4.48Å; R443-W722 HydrophobicContact CG-CZ2 3.87Å; I446-W722 HydrophobicContact CB-CH2 4.37Å; I446-W722 HydrophobicContact CG2-CH2 3.78Å; I446-W722 HydrophobicContact CG2-CZ2 4.44Å; C673-W722 VanDerWaalsContact SG-CZ3 3.57Å; L712-W722 HydrophobicContact CD1-CB 4.49Å; L712-W722 HydrophobicContact CD1-CG 4.33Å; L712-W722 HydrophobicContact CG-CG 4.21Å; S716-W722 PolarHBondContact OG-NE1 3.09Å |
| 723 | F | 91.1 | Very high | 88.9 | Confident | 9 Ų | 9 | 12.1 Ų | 12.1 | 4% | 0.039 | 7% | 0.073 | C | C | . | . | trans | -112.7 | 136.8 | -179.7 | -67.7 | -86.2 | 0 | 0 | 0 | 109.8 | S393 A397 T400 L415 P721 | S393-F723 WeakPolarHBondContact O-CZ 3.27Å; A397-F723 HydrophobicContact CB-CD1 4.25Å; A397-F723 HydrophobicContact CB-CE1 3.63Å; A397-F723 HydrophobicContact CB-CE2 4.5Å; A397-F723 HydrophobicContact CB-CZ 3.78Å; A397-F723 VanDerWaalsContact N-CE2 3.29Å; A397-F723 VanDerWaalsContact N-CZ 3.3Å; T400-F723 HydrophobicContact CG2-CB 4.42Å; T400-F723 HydrophobicContact CG2-CD2 4Å; L415-F723 HydrophobicContact CB-CB 4.33Å; P721-F723 HydrophobicContact CB-CE2 4.31Å; P721-F723 HydrophobicContact CB-CZ 4.45Å; P721-F723 HydrophobicContact CG-CE2 3.77Å; P721-F723 HydrophobicContact CG-CZ 3.8Å; P721-F723 VanDerWaalsContact O-CD2 3.22Å; P721-F723 WeakPolarHBondContact O-CD2 2.96Å; P721-F723 VanDerWaalsContact O-CE2 3.23Å; P721-F723 WeakPolarHBondContact O-CE2 3.25Å | ||
| 724 | V | 90 | Very high | 88.6 | Confident | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 163.5 | -179.2 | -172 | 0 | 0 | 0 | 0 | 108.4 | L415 G416 T418 V421 I677 D680 A726 | L415-V724 CarbonylContact C-O 3.28Å; L415-V724 WeakPolarHBondContact CA-O 3.21Å; G416-V724 PolarHBondContact N-O 3.31Å; G416-V724 PolarHBondContact O-N 3.29Å; T418-V724 HydrophobicContact CG2-CB 4.46Å; V421-V724 HydrophobicContact CG2-CG2 4.11Å; I677-V724 HydrophobicContact CG1-CG2 3.92Å; I677-V724 HydrophobicContact CG2-CG1 4.38Å; I677-V724 HydrophobicContact CG2-CG2 4.26Å; D680-V724 HydrophobicContact CB-CG1 3.59Å; V724-A726 PolarHBondContact O-N 3.43Å |
| 725 | A | 90.1 | Very high | 88 | Confident | 2 Ų | 2 | 12.7 Ų | 12.7 | 2% | 0.017 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 125.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T413 L415 T684 | T413-A725 HydrophobicContact CG2-CB 3.38Å; L415-A725 HydrophobicContact CD2-CB 4.48Å; T684-A725 HydrophobicContact CG2-CB 3.79Å |
| 726 | A | 88.6 | Confident | 87.6 | Confident | 13 Ų | 13 | 13.4 Ų | 13.4 | 11% | 0.107 | 8% | 0.077 | C | C | . | . | trans | -94.9 | 111.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | I414 V724 L729 S730 | I414-A726 PolarHBondContact O-N 3.26Å; V724-A726 PolarHBondContact O-N 3.43Å; A726-L729 HydrophobicContact CB-CB 4.04Å; A726-L729 HydrophobicContact CB-CD1 3.89Å; A726-L729 HydrophobicContact CB-CG 4.27Å; A726-S730 VanDerWaalsContact O-CB 3.32Å; A726-S730 WeakPolarHBondContact O-CB 3.24Å; A726-S730 PolarHBondContact O-N 3.24Å; A726-S730 PolarHBondContact O-OG 3.03Å | ||
| 727 | T | 86.4 | Confident | 87.2 | Confident | 14 Ų | 14 | 13.4 Ų | 13.4 | 9% | 0.086 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -56.9 | -54.9 | -176.5 | 41.9 | 0 | 0 | 0 | 0 | 113.3 | F477 T684 I687 L729 S730 I731 | F477-T727 HydrophobicContact CE1-CG2 3.98Å; T684-T727 HydrophobicContact CG2-CG2 4.05Å; T684-T727 WeakPolarHBondContact OG1-CG2 3.4Å; I687-T727 HydrophobicContact CD1-CG2 4.01Å; T727-L729 PolarHBondContact O-N 2.98Å; T727-S730 PolarHBondContact O-N 3.28Å; T727-I731 VanDerWaalsContact O-CG1 3.27Å; T727-I731 WeakPolarHBondContact O-CG1 3.48Å; T727-I731 PolarHBondContact O-N 3.5Å |
| 728 | V | 84.6 | Confident | 86.8 | Confident | 3 Ų | 3 | 15.2 Ų | 15.2 | 2% | 0.018 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | -175.5 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | I481 F485 S730 I731 T732 | I481-V728 HydrophobicContact CG2-CG2 3.68Å; F485-V728 HydrophobicContact CD2-CG2 4Å; F485-V728 HydrophobicContact CE2-CB 4.48Å; F485-V728 HydrophobicContact CE2-CG2 4.11Å; F485-V728 HydrophobicContact CG-CG2 4.4Å; V728-S730 VanDerWaalsContact C-N 3.32Å; V728-S730 PolarHBondContact O-N 3.33Å; V728-I731 PolarHBondContact O-N 3.38Å; V728-T732 WeakPolarHBondContact O-CB 3.41Å; V728-T732 WeakPolarHBondContact O-CG2 3.27Å; V728-T732 PolarHBondContact O-N 3.49Å; V728-T732 PolarHBondContact O-OG1 3.48Å |
| 729 | L | 86 | Confident | 86 | Confident | 10 Ų | 10 | 15.4 Ų | 15.4 | 5% | 0.052 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.3 | -37.9 | 177 | -68.2 | 173.2 | 0 | 0 | 0 | 111.5 | A368 I414 A726 T727 T732 H733 | A368-L729 HydrophobicContact CB-CD2 4.2Å; I414-L729 HydrophobicContact CB-CB 4.35Å; I414-L729 HydrophobicContact CG2-CB 4.37Å; A726-L729 HydrophobicContact CB-CB 4.04Å; A726-L729 HydrophobicContact CB-CD1 3.89Å; A726-L729 HydrophobicContact CB-CG 4.27Å; T727-L729 PolarHBondContact O-N 2.98Å; L729-T732 VanDerWaalsContact CA-OG1 3.31Å; L729-T732 WeakPolarHBondContact CA-OG1 3.42Å; L729-T732 PolarHBondContact O-OG1 3.25Å; L729-H733 WeakPolarHBondContact O-CB 3.16Å; L729-H733 PolarHBondContact O-N 3.46Å |
| 730 | S | 89.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -71.7 | -40.6 | 177.2 | -53 | 0 | 0 | 0 | 0 | 112.5 | I414 A726 T727 V728 T732 H733 V734 | I414-S730 PolarHBondContact N-OG 2.94Å; A726-S730 VanDerWaalsContact O-CB 3.32Å; A726-S730 WeakPolarHBondContact O-CB 3.24Å; A726-S730 PolarHBondContact O-N 3.24Å; A726-S730 PolarHBondContact O-OG 3.03Å; T727-S730 PolarHBondContact O-N 3.28Å; V728-S730 VanDerWaalsContact C-N 3.32Å; V728-S730 PolarHBondContact O-N 3.33Å; S730-T732 PolarHBondContact O-N 3Å; S730-H733 WeakPolarHBondContact O-CB 3.47Å; S730-H733 PolarHBondContact O-N 2.83Å; S730-V734 VanDerWaalsContact O-CG2 3.29Å; S730-V734 WeakPolarHBondContact O-CG2 3.33Å; S730-V734 PolarHBondContact O-N 3.39Å |
| 731 | I | 85.2 | Confident | 83.9 | Confident | 30 Ų | 30 | 19.2 Ų | 19.2 | 15% | 0.154 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | 175.6 | -67 | 163.9 | 0 | 0 | 0 | 110.6 | I687 T727 V728 H733 V734 N735 | I687-I731 HydrophobicContact CG2-CD1 3.82Å; I687-I731 HydrophobicContact CG2-CG1 3.78Å; T727-I731 VanDerWaalsContact O-CG1 3.27Å; T727-I731 WeakPolarHBondContact O-CG1 3.48Å; T727-I731 PolarHBondContact O-N 3.5Å; V728-I731 PolarHBondContact O-N 3.38Å; I731-H733 VanDerWaalsContact C-N 3.32Å; I731-H733 PolarHBondContact O-N 2.96Å; I731-V734 PolarHBondContact O-N 2.67Å; I731-N735 WeakPolarHBondContact O-CB 3.34Å; I731-N735 VanDerWaalsContact O-CG 3.3Å; I731-N735 PolarHBondContact O-N 2.83Å; I731-N735 PolarHBondContact O-ND2 3.24Å |
| 732 | T | 82.8 | Confident | 82.2 | Confident | 13 Ų | 13 | 27.2 Ų | 27.2 | 8% | 0.08 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.1 | -36.2 | 176.7 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | V728 L729 S730 N735 S736 M794 | V728-T732 WeakPolarHBondContact O-CB 3.41Å; V728-T732 WeakPolarHBondContact O-CG2 3.27Å; V728-T732 PolarHBondContact O-N 3.49Å; V728-T732 PolarHBondContact O-OG1 3.48Å; L729-T732 VanDerWaalsContact CA-OG1 3.31Å; L729-T732 WeakPolarHBondContact CA-OG1 3.42Å; L729-T732 PolarHBondContact O-OG1 3.25Å; S730-T732 PolarHBondContact O-N 3Å; T732-N735 PolarHBondContact O-N 3.35Å; T732-S736 PolarHBondContact O-N 3.13Å; T732-M794 HydrophobicContact CG2-CB 4.27Å; T732-M794 HydrophobicContact CG2-CG 4.2Å; T732-M794 HydrophobicContact CG2-SD 4.35Å |
| 733 | H | 87.6 | Confident | 80 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -48.8 | 171.9 | -178.4 | -154 | 0 | 0 | 0 | 112.1 | L365 L412 I414 L729 S730 I731 N735 S736 L737 T761 | L365-H733 HydrophobicContact CD1-CB 3.68Å; L365-H733 WeakPolarHBondContact CD1-CD2 3.46Å; L365-H733 HydrophobicContact CD2-CB 4.08Å; L412-H733 PolarHBondContact O-ND1 2.91Å; I414-H733 HydrophobicContact CD1-CB 3.76Å; I414-H733 HydrophobicContact CG1-CB 4.36Å; L729-H733 WeakPolarHBondContact O-CB 3.16Å; L729-H733 PolarHBondContact O-N 3.46Å; S730-H733 WeakPolarHBondContact O-CB 3.47Å; S730-H733 PolarHBondContact O-N 2.83Å; I731-H733 VanDerWaalsContact C-N 3.32Å; I731-H733 PolarHBondContact O-N 2.96Å; H733-N735 PolarHBondContact O-N 3.16Å; H733-S736 PolarHBondContact O-N 3.11Å; H733-S736 PolarHBondContact O-OG 2.92Å; H733-L737 WeakPolarHBondContact NE2-CD1 3.37Å; H733-L737 PolarHBondContact O-N 2.98Å; H733-T761 PolarHBondContact CE1-OG1 3.16Å; H733-T761 VanDerWaalsContact CE1-OG1 3.32Å; H733-T761 PolarHBondContact NE2-OG1 3.16Å |
| 734 | V | 86.9 | Confident | 78.1 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.7 | -46.5 | 175.8 | 173 | 0 | 0 | 0 | 0 | 111.4 | L412 I688 S730 I731 S736 L737 K738 I755 | L412-V734 HydrophobicContact CB-CG2 4.17Å; L412-V734 HydrophobicContact CD1-CG2 4.25Å; I688-V734 HydrophobicContact CG1-CG2 4.36Å; I688-V734 HydrophobicContact CG2-CG2 3.87Å; S730-V734 VanDerWaalsContact O-CG2 3.29Å; S730-V734 WeakPolarHBondContact O-CG2 3.33Å; S730-V734 PolarHBondContact O-N 3.39Å; I731-V734 PolarHBondContact O-N 2.67Å; V734-S736 VanDerWaalsContact C-N 3.26Å; V734-S736 PolarHBondContact O-N 3.05Å; V734-L737 PolarHBondContact O-N 2.94Å; V734-K738 PolarHBondContact O-N 3.37Å; V734-I755 HydrophobicContact CG1-CD1 3.28Å; V734-I755 HydrophobicContact CG1-CG1 4.08Å; V734-I755 HydrophobicContact CG1-CG2 4.45Å |
| 735 | N | 81.8 | Confident | 76.2 | Confident | 76 Ų | 76 | 35.3 Ų | 35.3 | 41% | 0.406 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63 | -30.9 | 178.9 | -76.4 | -25 | 0 | 0 | 0 | 113 | I731 T732 H733 L737 K738 | I731-N735 WeakPolarHBondContact O-CB 3.34Å; I731-N735 VanDerWaalsContact O-CG 3.3Å; I731-N735 PolarHBondContact O-N 2.83Å; I731-N735 PolarHBondContact O-ND2 3.24Å; T732-N735 PolarHBondContact O-N 3.35Å; H733-N735 PolarHBondContact O-N 3.16Å; N735-L737 VanDerWaalsContact C-N 3.28Å; N735-L737 PolarHBondContact O-N 3.23Å; N735-K738 WeakPolarHBondContact O-CB 3.43Å |
| 736 | S | 81.6 | Confident | 74.2 | Confident | 16 Ų | 16 | 36.9 Ų | 36.9 | 11% | 0.112 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.2 | -20.9 | 175.6 | 75.3 | 0 | 0 | 0 | 0 | 113.5 | Q357 S361 T732 H733 V734 | Q357-S736 PolarHBondContact NE2-O 3.33Å; S361-S736 WeakPolarHBondContact CB-OG 3.27Å; S361-S736 PolarHBondContact OG-OG 3.45Å; T732-S736 PolarHBondContact O-N 3.13Å; H733-S736 PolarHBondContact O-N 3.11Å; H733-S736 PolarHBondContact O-OG 2.92Å; V734-S736 VanDerWaalsContact C-N 3.26Å; V734-S736 PolarHBondContact O-N 3.05Å |
| 737 | L | 84.8 | Confident | 72.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 9.9 | -178.1 | -66.1 | 170.9 | 0 | 0 | 0 | 113.5 | L412 H733 V734 N735 L739 I755 R756 Q758 | L412-L737 HydrophobicContact CD2-CD1 3.62Å; H733-L737 WeakPolarHBondContact NE2-CD1 3.37Å; H733-L737 PolarHBondContact O-N 2.98Å; V734-L737 PolarHBondContact O-N 2.94Å; N735-L737 VanDerWaalsContact C-N 3.28Å; N735-L737 PolarHBondContact O-N 3.23Å; L737-L739 PolarHBondContact O-N 2.69Å; L737-I755 HydrophobicContact CB-CG2 3.99Å; L737-R756 PolarHBondContact O-N 2.96Å; L737-Q758 VanDerWaalsContact CD1-NE2 3.26Å |
| 738 | K | 81.8 | Confident | 70.8 | Confident | 82 Ų | 82 | 38.9 Ų | 38.9 | 36% | 0.357 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 124.9 | 176.2 | 170.9 | 146 | -174 | -175.8 | 0 | 110.7 | Q357 V734 N735 F752 | Q357-K738 PolarHBondContact NE2-O 2.99Å; Q357-K738 VanDerWaalsContact NE2-O 3.15Å; V734-K738 PolarHBondContact O-N 3.37Å; N735-K738 WeakPolarHBondContact O-CB 3.43Å; K738-F752 HydrophobicContact CB-CE2 4.27Å; K738-F752 HydrophobicContact CD-CD2 3.84Å; K738-F752 HydrophobicContact CD-CE2 3.65Å; K738-F752 HydrophobicContact CG-CD2 3.72Å; K738-F752 HydrophobicContact CG-CE2 3.49Å; K738-F752 VanDerWaalsContact CG-CE2 3.49Å |
| 739 | L | 71.9 | Confident | 69.3 | Low | 45 Ų | 45 | 44.7 Ų | 44.7 | 24% | 0.236 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 127.7 | 172.7 | -63.7 | 177.5 | 0 | 0 | 0 | 111.2 | Q357 L737 F752 L753 G754 R756 | Q357-L739 VanDerWaalsContact OE1-CD2 3.31Å; L737-L739 PolarHBondContact O-N 2.69Å; L739-F752 VanDerWaalsContact O-CD2 3.28Å; L739-F752 WeakPolarHBondContact O-CD2 3.24Å; L739-L753 PolarHBondContact O-N 3.44Å; L739-L753 VanDerWaalsContact O-N 3.11Å; L739-G754 WeakPolarHBondContact CA-O 3.35Å; L739-G754 WeakPolarHBondContact CB-O 3.32Å; L739-G754 PolarHBondContact N-O 3.19Å; L739-R756 HydrophobicContact CD1-CG 3.49Å; L739-R756 VanDerWaalsContact CD1-CG 3.49Å; L739-R756 HydrophobicContact CD2-CG 4.01Å; L739-R756 VanDerWaalsContact CD2-CZ 3.44Å; L739-R756 HydrophobicContact CG-CG 3.78Å |
| 740 | E | 70.4 | Confident | 68 | Low | 56 Ų | 56 | 47 Ų | 47 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 147.3 | 170.7 | -72.1 | 169.2 | -153.1 | 0 | 0 | 108.5 | K596 E742 P750 | K596-E740 WeakPolarHBondContact CE-OE2 3.11Å; K596-E740 IonicContact NZ-OE1 2.79Å; K596-E740 PolarHBondContact NZ-OE1 3.35Å; K596-E740 IonicContact NZ-OE2 3.1Å; K596-E740 PolarHBondContact NZ-OE2 2.88Å; E740-E742 PolarHBondContact O-N 3.38Å; E740-P750 HydrophobicContact CB-CB 4.39Å |
| 741 | S | 60 | Low | 66.8 | Low | 24 Ų | 24 | 50.7 Ų | 50.7 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | trans | -64.8 | 127.3 | -176 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | S744 P750 K751 | S741-S744 PolarHBondContact OG-OG 3.48Å; S741-P750 WeakPolarHBondContact OG-CA 3.15Å; S741-K751 PolarHBondContact N-O 3.18Å; S741-K751 PolarHBondContact OG-N 2.98Å | ||
| 742 | E | 54.1 | Low | 66.2 | Low | 174 Ų | 174 | 51.1 Ų | 51.1 | 81% | 0.813 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -79.1 | -24.1 | 178 | -65.1 | -170 | 169.9 | 0 | 0 | 113.4 | E740 | E740-E742 PolarHBondContact O-N 3.38Š|
| 743 | C | 46.4 | Very low | 65.6 | Low | 119 Ų | 119 | 55.5 Ų | 55.5 | 80% | 0.804 | 31% | 0.306 | S | S | * | . | trans | -121 | 76.8 | -177.8 | -64.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 744 | S | 49.4 | Very low | 65.2 | Low | 41 Ų | 41 | 55.7 Ų | 55.7 | 29% | 0.287 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 138 | 160.1 | -63.9 | 0 | 0 | 0 | 0 | 108.7 | S741 E748 Q749 P750 | S741-S744 PolarHBondContact OG-OG 3.48Å; S744-E748 WeakPolarHBondContact CB-O 3.33Å; S744-E748 PolarHBondContact OG-O 2.97Å; S744-Q749 PolarHBondContact OG-O 3.23Å; S744-P750 WeakPolarHBondContact OG-CA 3.48Å |
| 745 | A | 51.6 | Low | 65.1 | Low | 21 Ų | 21 | 56.3 Ų | 56.3 | 17% | 0.174 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 152.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | G747 E748 | A745-G747 PolarHBondContact O-N 3.07Å; A745-G747 VanDerWaalsContact O-N 3.13Å; A745-E748 PolarHBondContact O-N 3.28Å |
| 746 | P | 46.4 | Very low | 65.2 | Low | 34 Ų | 34 | 56.2 Ų | 56.2 | 22% | 0.221 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | 126 | 173.8 | -24.8 | 34.6 | 0 | 0 | 0 | 109.9 | P37 K172 | P37-P746 VanDerWaalsContact CG-C 3.46Å; P37-P746 HydrophobicContact CG-CB 3.48Å; P37-P746 VanDerWaalsContact CG-CB 3.48Å; P37-P746 WeakPolarHBondContact CG-O 3.41Å; K172-P746 HydrophobicContact CD-CG 3.92Å |
| 747 | G | 51.9 | Low | 65.4 | Low | 41 Ų | 41 | 55.8 Ų | 55.8 | 42% | 0.423 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -11.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | A745 | A745-G747 PolarHBondContact O-N 3.07Å; A745-G747 VanDerWaalsContact O-N 3.13Å |
| 748 | E | 51.7 | Low | 65.5 | Low | 28 Ų | 28 | 55.8 Ų | 55.8 | 13% | 0.131 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -94.7 | 131 | 178.5 | -170.6 | 171.5 | -175.9 | 0 | 0 | 110.8 | K22 S744 A745 K751 | K22-E748 IonicContact NZ-OE2 3.15Å; K22-E748 PolarHBondContact NZ-OE2 3.39Å; S744-E748 WeakPolarHBondContact CB-O 3.33Å; S744-E748 PolarHBondContact OG-O 2.97Å; A745-E748 PolarHBondContact O-N 3.28Å; E748-K751 WeakPolarHBondContact OE1-CE 3.3Å; E748-K751 IonicContact OE1-NZ 3.83Å; E748-K751 PolarHBondContact OE1-NZ 3.4Å |
| 749 | Q | 54.8 | Low | 65.9 | Low | 126 Ų | 126 | 52.2 Ų | 52.2 | 59% | 0.589 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 153.2 | 174.5 | -70 | -68.7 | -19.5 | 0 | 0 | 110.5 | S744 K751 | S744-Q749 PolarHBondContact OG-O 3.23Å; Q749-K751 PolarHBondContact O-N 3.31Å |
| 750 | P | 59 | Low | 66.8 | Low | 57 Ų | 57 | 51.6 Ų | 51.6 | 37% | 0.37 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 120.5 | 179.3 | 25.7 | -32.9 | 0 | 0 | 0 | 110.6 | E740 S741 S744 | E740-P750 HydrophobicContact CB-CB 4.39Å; S741-P750 WeakPolarHBondContact OG-CA 3.15Å; S744-P750 WeakPolarHBondContact OG-CA 3.48Å |
| 751 | K | 62.8 | Low | 67.8 | Low | 78 Ų | 78 | 49 Ų | 49 | 34% | 0.339 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 138.1 | 177.1 | -79.6 | 176.7 | 169.9 | 162.7 | 0 | 110.1 | S741 E748 Q749 L753 | S741-K751 PolarHBondContact N-O 3.18Å; S741-K751 PolarHBondContact OG-N 2.98Å; E748-K751 WeakPolarHBondContact OE1-CE 3.3Å; E748-K751 IonicContact OE1-NZ 3.83Å; E748-K751 PolarHBondContact OE1-NZ 3.4Å; Q749-K751 PolarHBondContact O-N 3.31Å; K751-L753 PolarHBondContact O-N 3.03Å |
| 752 | F | 73.8 | Confident | 69.2 | Low | 40 Ų | 40 | 47.9 Ų | 47.9 | 18% | 0.175 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 111.4 | 170.4 | 175.3 | -115.9 | 0 | 0 | 0 | 109.9 | E692 K694 K738 L739 G754 I755 | E692-F752 WeakPolarHBondContact O-CE1 3.38Å; K694-F752 HydrophobicContact CB-CE1 4.25Å; K694-F752 HydrophobicContact CD-CD1 4.04Å; K694-F752 HydrophobicContact CD-CE1 4.14Å; K694-F752 HydrophobicContact CG-CD1 4.44Å; K694-F752 HydrophobicContact CG-CE1 4.09Å; K694-F752 PolarHBondContact NZ-O 3.31Å; K738-F752 HydrophobicContact CB-CE2 4.27Å; K738-F752 HydrophobicContact CD-CD2 3.84Å; K738-F752 HydrophobicContact CD-CE2 3.65Å; K738-F752 HydrophobicContact CG-CD2 3.72Å; K738-F752 HydrophobicContact CG-CE2 3.49Å; K738-F752 VanDerWaalsContact CG-CE2 3.49Å; L739-F752 VanDerWaalsContact O-CD2 3.28Å; L739-F752 WeakPolarHBondContact O-CD2 3.24Å; F752-G754 VanDerWaalsContact CE2-O 3.27Å; F752-G754 WeakPolarHBondContact CE2-O 3.23Å; F752-I755 HydrophobicContact CE2-CG1 4.33Å; F752-I755 HydrophobicContact CZ-CD1 4.09Å; F752-I755 HydrophobicContact CZ-CG1 4.07Å |
| 753 | L | 68.4 | Low | 71 | Confident | 104 Ų | 104 | 41.2 Ų | 41.2 | 55% | 0.545 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -27 | -176 | -73.8 | 166.4 | 0 | 0 | 0 | 112.6 | L739 K751 | L739-L753 PolarHBondContact O-N 3.44Å; L739-L753 VanDerWaalsContact O-N 3.11Å; K751-L753 PolarHBondContact O-N 3.03Å |
| 754 | G | 79.4 | Confident | 73.2 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 140.1 | -171.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L739 F752 | L739-G754 WeakPolarHBondContact CA-O 3.35Å; L739-G754 WeakPolarHBondContact CB-O 3.32Å; L739-G754 PolarHBondContact N-O 3.19Å; F752-G754 VanDerWaalsContact CE2-O 3.27Å; F752-G754 WeakPolarHBondContact CE2-O 3.23Å |
| 755 | I | 84.9 | Confident | 75.2 | Confident | 16 Ų | 16 | 36.9 Ų | 36.9 | 8% | 0.082 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143.6 | 178 | -75.3 | 143.4 | 0 | 0 | 0 | 110.3 | L412 N693 L695 V734 L737 F752 E757 | L412-I755 HydrophobicContact CD1-CG2 4.09Å; N693-I755 HydrophobicContact CB-CD1 3.4Å; N693-I755 WeakPolarHBondContact O-CD1 3.46Å; L695-I755 HydrophobicContact CD2-CB 4.06Å; L695-I755 HydrophobicContact CD2-CG2 4.24Å; V734-I755 HydrophobicContact CG1-CD1 3.28Å; V734-I755 HydrophobicContact CG1-CG1 4.08Å; V734-I755 HydrophobicContact CG1-CG2 4.45Å; L737-I755 HydrophobicContact CB-CG2 3.99Å; F752-I755 HydrophobicContact CE2-CG1 4.33Å; F752-I755 HydrophobicContact CZ-CD1 4.09Å; F752-I755 HydrophobicContact CZ-CG1 4.07Å; I755-E757 PolarHBondContact O-N 2.97Å |
| 756 | R | 84.6 | Confident | 77.1 | Confident | 73 Ų | 73 | 36 Ų | 36 | 28% | 0.275 | 19% | 0.191 | S | C | . | . | trans | -73.4 | 114.1 | 170.4 | -72.6 | -168.4 | 175.8 | 134.1 | 11.2 | 110.3 | S355 Q357 L737 L739 | S355-R756 PolarHBondContact OG-NH1 2.75Å; Q357-R756 VanDerWaalsContact OE1-NH1 3.09Å; L737-R756 PolarHBondContact O-N 2.96Å; L739-R756 HydrophobicContact CD1-CG 3.49Å; L739-R756 VanDerWaalsContact CD1-CG 3.49Å; L739-R756 HydrophobicContact CD2-CG 4.01Å; L739-R756 VanDerWaalsContact CD2-CZ 3.44Å; L739-R756 HydrophobicContact CG-CG 3.78Å | ||
| 757 | E | 85.3 | Confident | 79.3 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | trans | -89.6 | 115.1 | 174.6 | -67.5 | 163.5 | 160.9 | 0 | 0 | 110 | L412 L695 K696 K697 I755 | L412-E757 HydrophobicContact CD1-CG 4.43Å; L695-E757 VanDerWaalsContact CA-OE1 3.28Å; L695-E757 WeakPolarHBondContact CA-OE1 3.45Å; L695-E757 WeakPolarHBondContact CB-OE1 3.22Å; L695-E757 HydrophobicContact CD2-CG 3.87Å; L695-E757 WeakPolarHBondContact CD2-OE1 3.33Å; K696-E757 PolarHBondContact N-OE1 3.05Å; K697-E757 WeakPolarHBondContact CB-OE2 3.4Å; K697-E757 HydrophobicContact CD-CB 3.9Å; K697-E757 WeakPolarHBondContact CD-OE2 3.33Å; K697-E757 WeakPolarHBondContact CG-OE2 3.39Å; K697-E757 PolarHBondContact N-OE1 3.41Å; K697-E757 PolarHBondContact N-OE2 3.16Å; K697-E757 PolarHBondContact NZ-O 2.8Å; I755-E757 PolarHBondContact O-N 2.97Å | ||
| 758 | Q | 88.1 | Confident | 81 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -149.4 | 162.4 | -178.3 | 53.3 | 64.9 | 48.1 | 0 | 0 | 110.9 | D349 A353 L737 T761 | D349-Q758 WeakPolarHBondContact O-CB 3.28Å; A353-Q758 HydrophobicContact CB-CB 4.16Å; L737-Q758 VanDerWaalsContact CD1-NE2 3.26Å; Q758-T761 VanDerWaalsContact CD-OG1 3.28Å; Q758-T761 PolarHBondContact NE2-OG1 2.99Å; Q758-T761 PolarHBondContact OE1-OG1 3.01Å; Q758-T761 VanDerWaalsContact OE1-OG1 3.13Å | ||
| 759 | R | 90 | Very high | 82.7 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 2% | 0.023 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -105.1 | -20.7 | 179.9 | -69.4 | 176.7 | -178.9 | -89.7 | 0.7 | 113.9 | D349 S405 L406 A408 P411 L763 | D349-R759 HydrophobicContact CB-CB 4.46Å; D349-R759 HydrophobicContact CB-CG 3.95Å; D349-R759 WeakPolarHBondContact OD2-CD 3.47Å; D349-R759 IonicContact OD2-CZ 3.05Å; D349-R759 IonicContact OD2-NE 2.73Å; D349-R759 PolarHBondContact OD2-NE 2.88Å; D349-R759 IonicContact OD2-NH2 3.59Å; S405-R759 PolarHBondContact O-NH1 2.87Å; L406-R759 PolarHBondContact O-NH1 3.26Å; A408-R759 PolarHBondContact O-NH1 2.95Å; A408-R759 PolarHBondContact O-NH2 3.48Å; P411-R759 HydrophobicContact CB-CB 4.36Å; P411-R759 HydrophobicContact CB-CG 3.62Å; P411-R759 HydrophobicContact CG-CG 3.7Å; R759-L763 PolarHBondContact O-N 3.37Å |
| 760 | V | 90.6 | Very high | 84.1 | Confident | 32 Ų | 32 | 33.9 Ų | 33.9 | 19% | 0.194 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.1 | -38 | -167 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | Y350 A353 L763 M764 | Y350-V760 HydrophobicContact CD1-CG2 3.59Å; Y350-V760 HydrophobicContact CE1-CG2 4.09Å; Y350-V760 HydrophobicContact CG-CG2 4.42Å; A353-V760 HydrophobicContact CB-CB 3.57Å; A353-V760 HydrophobicContact CB-CG1 4.26Å; A353-V760 HydrophobicContact CB-CG2 3.45Å; A353-V760 VanDerWaalsContact CB-CG2 3.45Å; V760-L763 PolarHBondContact O-N 3.01Å; V760-M764 HydrophobicContact CG1-CE 4.21Å; V760-M764 HydrophobicContact CG1-CG 3.92Å; V760-M764 WeakPolarHBondContact O-CB 3.42Å; V760-M764 WeakPolarHBondContact O-CG 3.45Å; V760-M764 PolarHBondContact O-N 2.94Å |
| 761 | T | 90.7 | Very high | 85.3 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -46.9 | 179.7 | 61.9 | 0 | 0 | 0 | 0 | 110.8 | C358 F362 H733 Q758 L763 M764 I765 | C358-T761 HydrophobicContact CB-CG2 3.97Å; F362-T761 HydrophobicContact CB-CG2 4.45Å; H733-T761 PolarHBondContact CE1-OG1 3.16Å; H733-T761 VanDerWaalsContact CE1-OG1 3.32Å; H733-T761 PolarHBondContact NE2-OG1 3.16Å; Q758-T761 VanDerWaalsContact CD-OG1 3.28Å; Q758-T761 PolarHBondContact NE2-OG1 2.99Å; Q758-T761 PolarHBondContact OE1-OG1 3.01Å; Q758-T761 VanDerWaalsContact OE1-OG1 3.13Å; T761-L763 PolarHBondContact O-N 2.72Å; T761-M764 PolarHBondContact O-N 3.47Å; T761-I765 VanDerWaalsContact O-CD1 3.3Å; T761-I765 WeakPolarHBondContact O-CD1 3.09Å; T761-I765 WeakPolarHBondContact O-CG1 3.48Å; T761-I765 PolarHBondContact O-N 2.94Å |
| 762 | G | 89.8 | Confident | 86.1 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.8 | -49.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | S405 M764 I765 F766 | S405-G762 VanDerWaalsContact OG-C 3.26Å; G762-M764 PolarHBondContact O-N 3.09Å; G762-I765 PolarHBondContact O-N 3.25Å; G762-F766 WeakPolarHBondContact O-CD2 3.21Å; G762-F766 PolarHBondContact O-N 2.99Å; G762-F766 VanDerWaalsContact O-N 3.15Å |
| 763 | L | 92.4 | Very high | 86.2 | Confident | 35 Ų | 35 | 28.5 Ų | 28.5 | 18% | 0.183 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 176.7 | -177.8 | 135.8 | 0 | 0 | 0 | 112.2 | S405 L406 R759 V760 T761 F766 M767 | S405-L763 PolarHBondContact OG-N 3.4Å; L406-L763 HydrophobicContact CD1-CD1 4.4Å; L406-L763 HydrophobicContact CD2-CD1 3.46Å; L406-L763 VanDerWaalsContact CD2-CD1 3.46Å; L406-L763 HydrophobicContact CG-CD1 3.83Å; R759-L763 PolarHBondContact O-N 3.37Å; V760-L763 PolarHBondContact O-N 3.01Å; T761-L763 PolarHBondContact O-N 2.72Å; L763-F766 PolarHBondContact O-N 3.01Å; L763-M767 WeakPolarHBondContact O-CB 3.46Å; L763-M767 PolarHBondContact O-N 3.38Å |
| 764 | M | 91.6 | Very high | 86.5 | Confident | 69 Ų | 69 | 32.3 Ų | 32.3 | 34% | 0.34 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -67.5 | -38.2 | 179.7 | -71.4 | -63.4 | 179 | 0 | 0 | 112.5 | F362 V760 T761 G762 M767 L768 | F362-M764 HydrophobicContact CB-CB 4.36Å; F362-M764 HydrophobicContact CD1-CB 4.44Å; F362-M764 HydrophobicContact CD2-CB 4.37Å; F362-M764 HydrophobicContact CG-CB 4.18Å; V760-M764 HydrophobicContact CG1-CE 4.21Å; V760-M764 HydrophobicContact CG1-CG 3.92Å; V760-M764 WeakPolarHBondContact O-CB 3.42Å; V760-M764 WeakPolarHBondContact O-CG 3.45Å; V760-M764 PolarHBondContact O-N 2.94Å; T761-M764 PolarHBondContact O-N 3.47Å; G762-M764 PolarHBondContact O-N 3.09Å; M764-M767 HydrophobicContact SD-SD 4.5Å; M764-L768 VanDerWaalsContact O-CB 3.25Å; M764-L768 WeakPolarHBondContact O-CB 3.38Å; M764-L768 WeakPolarHBondContact O-CD1 3.21Å; M764-L768 WeakPolarHBondContact O-CG 3.41Å; M764-L768 PolarHBondContact O-N 2.95Å |
| 765 | I | 91.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.3 | -53.3 | 175.6 | -68.7 | 155.5 | 0 | 0 | 0 | 109.7 | F362 L365 C369 I414 T761 G762 L768 M769 | F362-I765 HydrophobicContact CB-CG1 3.96Å; L365-I765 HydrophobicContact CB-CD1 3.43Å; L365-I765 VanDerWaalsContact CB-CD1 3.43Å; L365-I765 HydrophobicContact CB-CG1 3.94Å; L365-I765 HydrophobicContact CD1-CD1 3.75Å; L365-I765 HydrophobicContact CG-CD1 4.23Å; C369-I765 HydrophobicContact CB-CG2 4.28Å; I414-I765 HydrophobicContact CD1-CD1 4.26Å; T761-I765 VanDerWaalsContact O-CD1 3.3Å; T761-I765 WeakPolarHBondContact O-CD1 3.09Å; T761-I765 WeakPolarHBondContact O-CG1 3.48Å; T761-I765 PolarHBondContact O-N 2.94Å; G762-I765 PolarHBondContact O-N 3.25Å; I765-L768 PolarHBondContact O-N 3Å; I765-M769 HydrophobicContact CG2-SD 4.1Å; I765-M769 VanDerWaalsContact O-CG 3.29Å; I765-M769 WeakPolarHBondContact O-CG 3.41Å; I765-M769 PolarHBondContact O-N 3.45Å |
| 766 | F | 92.2 | Very high | 85.6 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.6 | -29.3 | -175.8 | -68.1 | -65 | 0 | 0 | 0 | 113.4 | A397 S398 G401 I402 I414 L415 G762 L763 M769 G770 | A397-F766 VanDerWaalsContact O-CD1 3.24Å; A397-F766 WeakPolarHBondContact O-CD1 3.4Å; S398-F766 WeakPolarHBondContact CB-O 3.25Å; S398-F766 PolarHBondContact OG-O 3.13Å; G401-F766 VanDerWaalsContact CA-CE2 3.42Å; G401-F766 VanDerWaalsContact CA-CG 3.41Å; I402-F766 HydrophobicContact CG1-CB 3.86Å; I414-F766 HydrophobicContact CG2-CE2 4.34Å; I414-F766 HydrophobicContact CG2-CZ 3.7Å; L415-F766 HydrophobicContact CB-CZ 4.41Å; L415-F766 WeakPolarHBondContact O-CZ 3.44Å; G762-F766 WeakPolarHBondContact O-CD2 3.21Å; G762-F766 PolarHBondContact O-N 2.99Å; G762-F766 VanDerWaalsContact O-N 3.15Å; L763-F766 PolarHBondContact O-N 3.01Å; F766-M769 HydrophobicContact CD1-SD 3.75Å; F766-M769 HydrophobicContact CE1-SD 4.09Å; F766-G770 PolarHBondContact O-N 3Å |
| 767 | M | 91.1 | Very high | 85.2 | Confident | 110 Ų | 110 | 36.8 Ų | 36.8 | 54% | 0.542 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.3 | -45.1 | 169.5 | -168.8 | 178.9 | -157.6 | 0 | 0 | 111.1 | L763 M764 G770 S771 | L763-M767 WeakPolarHBondContact O-CB 3.46Å; L763-M767 PolarHBondContact O-N 3.38Å; M764-M767 HydrophobicContact SD-SD 4.5Å; M767-G770 PolarHBondContact O-N 2.83Å; M767-S771 PolarHBondContact O-N 3.3Å |
| 768 | L | 88.6 | Confident | 84.7 | Confident | 47 Ų | 47 | 40.8 Ų | 40.8 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 175.4 | -75.3 | 168 | 0 | 0 | 0 | 111.6 | F362 Y366 M764 I765 G770 S771 S772 | F362-L768 HydrophobicContact CD2-CD1 3.69Å; F362-L768 HydrophobicContact CE2-CD1 3.73Å; Y366-L768 HydrophobicContact CD2-CB 3.63Å; Y366-L768 HydrophobicContact CE2-CB 3.88Å; Y366-L768 HydrophobicContact CG-CB 4.36Å; M764-L768 VanDerWaalsContact O-CB 3.25Å; M764-L768 WeakPolarHBondContact O-CB 3.38Å; M764-L768 WeakPolarHBondContact O-CD1 3.21Å; M764-L768 WeakPolarHBondContact O-CG 3.41Å; M764-L768 PolarHBondContact O-N 2.95Å; I765-L768 PolarHBondContact O-N 3Å; L768-G770 VanDerWaalsContact C-N 3.34Å; L768-G770 PolarHBondContact O-N 3.5Å; L768-S771 WeakPolarHBondContact CA-OG 3.3Å; L768-S771 CarbonylContact O-C 3.46Å; L768-S771 PolarHBondContact O-N 3.38Å; L768-S771 VanDerWaalsContact O-N 3.16Å; L768-S771 PolarHBondContact O-OG 3.22Å; L768-S772 PolarHBondContact O-N 3.43Å |
| 769 | M | 86.9 | Confident | 84.1 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -43.2 | 173.8 | -71.7 | 176.7 | 96.4 | 0 | 0 | 112.1 | Y366 C369 V373 L394 A397 I765 F766 S772 | Y366-M769 HydrophobicContact CD2-CG 4.08Å; Y366-M769 HydrophobicContact CE2-CG 4.28Å; C369-M769 HydrophobicContact CB-CE 3.92Å; C369-M769 HydrophobicContact CB-SD 3.97Å; C369-M769 WeakPolarHBondContact O-CE 3.19Å; V373-M769 HydrophobicContact CB-CE 4.07Å; V373-M769 HydrophobicContact CG1-CE 4.43Å; V373-M769 HydrophobicContact CG2-CE 3.74Å; L394-M769 HydrophobicContact CD1-CB 4.4Å; A397-M769 HydrophobicContact CB-CE 4.4Å; I765-M769 HydrophobicContact CG2-SD 4.1Å; I765-M769 VanDerWaalsContact O-CG 3.29Å; I765-M769 WeakPolarHBondContact O-CG 3.41Å; I765-M769 PolarHBondContact O-N 3.45Å; F766-M769 HydrophobicContact CD1-SD 3.75Å; F766-M769 HydrophobicContact CE1-SD 4.09Å; M769-S772 WeakPolarHBondContact O-CB 3.31Å; M769-S772 PolarHBondContact O-N 2.87Å; M769-S772 PolarHBondContact O-OG 3.29Å |
| 770 | G | 85.2 | Confident | 83.6 | Confident | 27 Ų | 27 | 44.5 Ų | 44.5 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63 | -41.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S398 F766 M767 L768 S772 | S398-G770 VanDerWaalsContact OG-CA 3.31Å; S398-G770 WeakPolarHBondContact OG-CA 3.44Å; S398-G770 PolarHBondContact OG-N 3.43Å; F766-G770 PolarHBondContact O-N 3Å; M767-G770 PolarHBondContact O-N 2.83Å; L768-G770 VanDerWaalsContact C-N 3.34Å; L768-G770 PolarHBondContact O-N 3.5Å; G770-S772 VanDerWaalsContact C-N 3.25Å; G770-S772 PolarHBondContact O-N 3.06Å |
| 771 | S | 82.8 | Confident | 83.3 | Confident | 39 Ų | 39 | 47.4 Ų | 47.4 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.3 | -17.1 | 177.4 | 77.3 | 0 | 0 | 0 | 0 | 114.2 | M767 L768 V773 F774 M775 | M767-S771 PolarHBondContact O-N 3.3Å; L768-S771 WeakPolarHBondContact CA-OG 3.3Å; L768-S771 CarbonylContact O-C 3.46Å; L768-S771 PolarHBondContact O-N 3.38Å; L768-S771 VanDerWaalsContact O-N 3.16Å; L768-S771 PolarHBondContact O-OG 3.22Å; S771-V773 PolarHBondContact O-N 3.18Å; S771-V773 VanDerWaalsContact O-N 3.12Å; S771-F774 WeakPolarHBondContact O-CB 3.35Å; S771-F774 PolarHBondContact O-N 2.01Å; S771-M775 PolarHBondContact O-N 2.93Å |
| 772 | S | 80.8 | Confident | 83 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -20.4 | -173.8 | 73.4 | 0 | 0 | 0 | 0 | 113.9 | Y366 M370 L394 L768 M769 G770 F774 M775 T776 | Y366-S772 VanDerWaalsContact OH-CB 3.27Å; Y366-S772 WeakPolarHBondContact OH-CB 3.48Å; M370-S772 WeakPolarHBondContact CE-OG 3.35Å; L394-S772 WeakPolarHBondContact CD2-OG 3.31Å; L768-S772 PolarHBondContact O-N 3.43Å; M769-S772 WeakPolarHBondContact O-CB 3.31Å; M769-S772 PolarHBondContact O-N 2.87Å; M769-S772 PolarHBondContact O-OG 3.29Å; G770-S772 VanDerWaalsContact C-N 3.25Å; G770-S772 PolarHBondContact O-N 3.06Å; S772-F774 VanDerWaalsContact C-N 3.26Å; S772-F774 PolarHBondContact O-N 3.28Å; S772-M775 CarbonylContact O-C 3.55Å; S772-M775 PolarHBondContact O-N 3.47Å; S772-M775 VanDerWaalsContact O-N 3.09Å; S772-T776 PolarHBondContact O-N 3.28Å; S772-T776 VanDerWaalsContact O-N 3.13Å |
| 773 | V | 75.3 | Confident | 82.8 | Confident | 23 Ų | 23 | 48.7 Ų | 48.7 | 14% | 0.139 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -38.4 | 170.3 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | L394 F641 S771 T776 | L394-V773 HydrophobicContact CD2-CG2 3.55Å; F641-V773 HydrophobicContact CB-CG1 4.29Å; F641-V773 HydrophobicContact CD2-CG1 4.49Å; F641-V773 HydrophobicContact CD2-CG2 4.33Å; S771-V773 PolarHBondContact O-N 3.18Å; S771-V773 VanDerWaalsContact O-N 3.12Å; V773-T776 WeakPolarHBondContact O-CG2 3.48Å; V773-T776 PolarHBondContact O-OG1 2.97Å |
| 774 | F | 75.7 | Confident | 82.4 | Confident | 184 Ų | 184 | 49 Ų | 49 | 81% | 0.807 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -29.1 | 175 | -58.7 | -70.4 | 0 | 0 | 0 | 112.2 | S771 S772 T776 | S771-F774 WeakPolarHBondContact O-CB 3.35Å; S771-F774 PolarHBondContact O-N 2.01Å; S772-F774 VanDerWaalsContact C-N 3.26Å; S772-F774 PolarHBondContact O-N 3.28Å; F774-T776 VanDerWaalsContact C-N 3.27Å; F774-T776 PolarHBondContact O-N 2.92Å |
| 775 | M | 72.5 | Confident | 82.3 | Confident | 88 Ų | 88 | 45.8 Ų | 45.8 | 43% | 0.433 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 9.3 | 178 | -60.5 | -173.7 | 79.1 | 0 | 0 | 113.8 | S771 S772 S777 V778 L779 | S771-M775 PolarHBondContact O-N 2.93Å; S772-M775 CarbonylContact O-C 3.55Å; S772-M775 PolarHBondContact O-N 3.47Å; S772-M775 VanDerWaalsContact O-N 3.09Å; M775-S777 PolarHBondContact O-N 2.97Å; M775-V778 PolarHBondContact O-N 2.79Å; M775-L779 HydrophobicContact CB-CD1 3.61Å; M775-L779 WeakPolarHBondContact O-CD1 3.45Å; M775-L779 PolarHBondContact O-N 3.49Å |
| 776 | T | 72.6 | Confident | 82.2 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 9% | 0.092 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -51.1 | -29.8 | -177.3 | 38.8 | 0 | 0 | 0 | 0 | 114.4 | V637 S772 V773 F774 V778 L779 K780 | V637-T776 HydrophobicContact CB-CG2 3.81Å; V637-T776 HydrophobicContact CG1-CG2 3.43Å; V637-T776 VanDerWaalsContact CG1-CG2 3.43Å; S772-T776 PolarHBondContact O-N 3.28Å; S772-T776 VanDerWaalsContact O-N 3.13Å; V773-T776 WeakPolarHBondContact O-CG2 3.48Å; V773-T776 PolarHBondContact O-OG1 2.97Å; F774-T776 VanDerWaalsContact C-N 3.27Å; F774-T776 PolarHBondContact O-N 2.92Å; T776-V778 VanDerWaalsContact C-N 3.3Å; T776-V778 PolarHBondContact O-N 3.42Å; T776-L779 PolarHBondContact O-N 2.91Å; T776-K780 VanDerWaalsContact O-CG 3.29Å; T776-K780 WeakPolarHBondContact O-CG 3.36Å; T776-K780 PolarHBondContact O-N 3.32Å |
| 777 | S | 75 | Confident | 81.8 | Confident | 85 Ų | 85 | 46.1 Ų | 46.1 | 59% | 0.594 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62 | -34.5 | 175.3 | -166.5 | 0 | 0 | 0 | 0 | 113.5 | M775 F781 | M775-S777 PolarHBondContact O-N 2.97Å; S777-F781 VanDerWaalsContact O-CD2 3.3Å; S777-F781 WeakPolarHBondContact O-CD2 3.39Å; S777-F781 WeakPolarHBondContact O-CE2 3.28Å |
| 778 | V | 76.2 | Confident | 81.6 | Confident | 91 Ų | 91 | 42.1 Ų | 42.1 | 55% | 0.552 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -83.5 | -39.4 | -179.9 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | M775 T776 K780 F781 | M775-V778 PolarHBondContact O-N 2.79Å; T776-V778 VanDerWaalsContact C-N 3.3Å; T776-V778 PolarHBondContact O-N 3.42Å; V778-K780 VanDerWaalsContact C-N 3.32Å; V778-K780 PolarHBondContact O-N 3.1Å; V778-F781 PolarHBondContact O-N 2.03Å |
| 779 | L | 75 | Confident | 81.6 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.5 | -25.6 | -173.9 | -81 | 80.6 | 0 | 0 | 0 | 114.2 | M370 V637 M775 T776 F781 I782 | M370-L779 HydrophobicContact CE-CD2 2.96Å; M370-L779 HydrophobicContact CE-CG 4.43Å; M370-L779 HydrophobicContact SD-CD2 3.16Å; M370-L779 WeakPolarHBondContact SD-CD2 3.4Å; M370-L779 HydrophobicContact SD-CG 4.39Å; V637-L779 HydrophobicContact CG2-CB 4.48Å; M775-L779 HydrophobicContact CB-CD1 3.61Å; M775-L779 WeakPolarHBondContact O-CD1 3.45Å; M775-L779 PolarHBondContact O-N 3.49Å; T776-L779 PolarHBondContact O-N 2.91Å; L779-F781 PolarHBondContact O-N 3.15Å; L779-F781 VanDerWaalsContact O-N 3.17Å; L779-I782 PolarHBondContact O-N 3.14Å; L779-I782 VanDerWaalsContact O-N 3.08Å |
| 780 | K | 79 | Confident | 81.5 | Confident | 78 Ų | 78 | 40 Ų | 40 | 34% | 0.339 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.7 | 172.9 | -77.6 | 172.8 | -173.2 | 175 | 0 | 113.2 | K634 N639 T776 V778 I782 | K634-K780 VanDerWaalsContact CB-O 3.27Å; K634-K780 WeakPolarHBondContact CB-O 3.45Å; K634-K780 VanDerWaalsContact CD-O 3.29Å; K634-K780 WeakPolarHBondContact CD-O 3.07Å; K634-K780 WeakPolarHBondContact CG-O 3.47Å; N639-K780 PolarHBondContact ND2-NZ 3.35Å; N639-K780 WeakPolarHBondContact OD1-CE 3.01Å; N639-K780 PolarHBondContact OD1-NZ 3.46Å; T776-K780 VanDerWaalsContact O-CG 3.29Å; T776-K780 WeakPolarHBondContact O-CG 3.36Å; T776-K780 PolarHBondContact O-N 3.32Å; V778-K780 VanDerWaalsContact C-N 3.32Å; V778-K780 PolarHBondContact O-N 3.1Å; K780-I782 VanDerWaalsContact C-N 3.32Å |
| 781 | F | 83.5 | Confident | 81.5 | Confident | 93 Ų | 93 | 39.2 Ų | 39.2 | 41% | 0.408 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -10.5 | 177.1 | -64.8 | -69.1 | 0 | 0 | 0 | 113.2 | V622 Y626 S777 V778 L779 P783 | V622-F781 HydrophobicContact CG1-CB 4.41Å; Y626-F781 HydrophobicContact CD2-CD1 4.38Å; Y626-F781 HydrophobicContact CE2-CE1 4.38Å; S777-F781 VanDerWaalsContact O-CD2 3.3Å; S777-F781 WeakPolarHBondContact O-CD2 3.39Å; S777-F781 WeakPolarHBondContact O-CE2 3.28Å; V778-F781 PolarHBondContact O-N 2.03Å; L779-F781 PolarHBondContact O-N 3.15Å; L779-F781 VanDerWaalsContact O-N 3.17Å; F781-P783 VanDerWaalsContact O-CD 3.3Å; F781-P783 WeakPolarHBondContact O-CD 3Å |
| 782 | I | 85.1 | Confident | 81.8 | Confident | 30 Ų | 30 | 38.4 Ų | 38.4 | 15% | 0.154 | 20% | 0.195 | C | C | . | . | trans | -80.2 | 117.3 | -178.5 | -55.3 | 177.2 | 0 | 0 | 0 | 109.7 | V622 L635 L779 K780 L787 | V622-I782 HydrophobicContact CG2-CB 4.45Å; V622-I782 HydrophobicContact CG2-CG1 4.23Å; V622-I782 HydrophobicContact CG2-CG2 4.32Å; L635-I782 PolarHBondContact N-O 3.3Å; L635-I782 VanDerWaalsContact N-O 3.12Å; L779-I782 PolarHBondContact O-N 3.14Å; L779-I782 VanDerWaalsContact O-N 3.08Å; K780-I782 VanDerWaalsContact C-N 3.32Å; I782-L787 HydrophobicContact CG2-CD1 3.96Å; I782-L787 HydrophobicContact CG2-CD2 4.03Å; I782-L787 HydrophobicContact CG2-CG 3.92Å | ||
| 783 | P | 86.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -77.5 | 137.9 | 178.1 | 34.1 | -34.7 | 0 | 0 | 0 | 110.2 | L581 D625 F781 P785 V786 | L581-P783 HydrophobicContact CD1-CB 4.42Å; L581-P783 HydrophobicContact CD1-CG 4.28Å; D625-P783 HydrophobicContact CB-CG 4.2Å; F781-P783 VanDerWaalsContact O-CD 3.3Å; F781-P783 WeakPolarHBondContact O-CD 3Å; P783-P785 VanDerWaalsContact C-CD 3.42Å; P783-V786 HydrophobicContact CG-CB 4.09Å; P783-V786 HydrophobicContact CG-CG2 3.58Å; P783-V786 PolarHBondContact O-N 3.47Å |
| 784 | M | 83.8 | Confident | 82.5 | Confident | 42 Ų | 42 | 38.7 Ų | 38.7 | 21% | 0.207 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.8 | -37.9 | 179.6 | -67.1 | -171.3 | 177.8 | 0 | 0 | 114.3 | P633 V786 L787 Y788 | P633-M784 WeakPolarHBondContact O-CB 3.48Å; P633-M784 WeakPolarHBondContact O-CG 3.41Å; P633-M784 PolarHBondContact O-N 2.9Å; M784-V786 VanDerWaalsContact C-N 3.26Å; M784-V786 PolarHBondContact O-N 2.98Å; M784-L787 WeakPolarHBondContact O-CB 3.32Å; M784-L787 PolarHBondContact O-N 3.06Å; M784-Y788 HydrophobicContact CB-CE2 4.19Å; M784-Y788 PolarHBondContact O-N 3.42Å |
| 785 | P | 88.9 | Confident | 83 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.5 | -33.2 | 179.3 | -25.4 | 34.3 | 0 | 0 | 0 | 113.9 | L496 C578 L581 P633 P783 Y788 G789 | L496-P785 HydrophobicContact CD2-CG 4.08Å; C578-P785 HydrophobicContact CB-CB 4.12Å; C578-P785 HydrophobicContact CB-CG 3.66Å; C578-P785 WeakPolarHBondContact O-CB 3.34Å; C578-P785 VanDerWaalsContact SG-CG 3.58Å; L581-P785 HydrophobicContact CB-CB 4.26Å; P633-P785 HydrophobicContact CG-CG 4.17Å; P783-P785 VanDerWaalsContact C-CD 3.42Å; P785-Y788 PolarHBondContact O-N 3.35Å; P785-G789 PolarHBondContact O-N 3.21Å |
| 786 | V | 89.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.7 | -43.6 | 175.2 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | L581 T585 I618 M621 P783 M784 Y788 G789 V790 | L581-V786 HydrophobicContact CB-CG2 4.13Å; L581-V786 HydrophobicContact CD1-CG2 4.42Å; L581-V786 HydrophobicContact CD2-CG2 4.18Å; L581-V786 HydrophobicContact CG-CG2 4.5Å; T585-V786 HydrophobicContact CG2-CG1 4.1Å; I618-V786 HydrophobicContact CG1-CG1 4.32Å; I618-V786 HydrophobicContact CG2-CG1 4.48Å; M621-V786 HydrophobicContact CB-CG1 4.03Å; M621-V786 HydrophobicContact CB-CG2 3.61Å; M621-V786 HydrophobicContact CG-CG2 4.48Å; P783-V786 HydrophobicContact CG-CB 4.09Å; P783-V786 HydrophobicContact CG-CG2 3.58Å; P783-V786 PolarHBondContact O-N 3.47Å; M784-V786 VanDerWaalsContact C-N 3.26Å; M784-V786 PolarHBondContact O-N 2.98Å; V786-Y788 VanDerWaalsContact C-N 3.33Å; V786-Y788 PolarHBondContact O-N 3.41Å; V786-G789 PolarHBondContact O-N 2.98Å; V786-G789 VanDerWaalsContact O-N 3.15Å; V786-V790 WeakPolarHBondContact O-CG2 3.3Å; V786-V790 PolarHBondContact O-N 3.33Å |
| 787 | L | 84.6 | Confident | 84.1 | Confident | 10 Ų | 10 | 29.3 Ų | 29.3 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 177.1 | -62.2 | 171.4 | 0 | 0 | 0 | 111.9 | L635 I782 M784 G789 V790 F791 | L635-L787 HydrophobicContact CD1-CD1 4.23Å; I782-L787 HydrophobicContact CG2-CD1 3.96Å; I782-L787 HydrophobicContact CG2-CD2 4.03Å; I782-L787 HydrophobicContact CG2-CG 3.92Å; M784-L787 WeakPolarHBondContact O-CB 3.32Å; M784-L787 PolarHBondContact O-N 3.06Å; L787-G789 VanDerWaalsContact C-N 3.34Å; L787-V790 PolarHBondContact O-N 2.89Å; L787-F791 WeakPolarHBondContact O-CG 3.49Å; L787-F791 PolarHBondContact O-N 3.26Å |
| 788 | Y | 86.8 | Confident | 84.5 | Confident | 25 Ų | 25 | 25.7 Ų | 25.7 | 10% | 0.098 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.4 | -37.2 | 173.5 | -58 | -22.1 | 0 | 0 | 0 | 111.9 | K492 F582 M784 P785 V786 F791 L792 | K492-Y788 HydrophobicContact CB-CD2 4.08Å; K492-Y788 HydrophobicContact CB-CE1 4.3Å; K492-Y788 HydrophobicContact CB-CE2 3.81Å; K492-Y788 HydrophobicContact CB-CG 4.43Å; K492-Y788 HydrophobicContact CD-CD1 4.18Å; K492-Y788 HydrophobicContact CD-CE1 3.72Å; F582-Y788 WeakPolarHBondContact CE2-O 3.28Å; M784-Y788 HydrophobicContact CB-CE2 4.19Å; M784-Y788 PolarHBondContact O-N 3.42Å; P785-Y788 PolarHBondContact O-N 3.35Å; V786-Y788 VanDerWaalsContact C-N 3.33Å; V786-Y788 PolarHBondContact O-N 3.41Å; Y788-F791 HydrophobicContact CD1-CD2 4.17Å; Y788-F791 HydrophobicContact CD1-CE2 4.35Å; Y788-F791 WeakPolarHBondContact O-CB 3.45Å; Y788-F791 PolarHBondContact O-N 3.25Å; Y788-L792 PolarHBondContact O-N 2.84Å |
| 789 | G | 88.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V586 P785 V786 L787 F791 L792 Y793 | V586-G789 VanDerWaalsContact CG2-O 3.23Å; V586-G789 WeakPolarHBondContact CG2-O 3.31Å; P785-G789 PolarHBondContact O-N 3.21Å; V786-G789 PolarHBondContact O-N 2.98Å; V786-G789 VanDerWaalsContact O-N 3.15Å; L787-G789 VanDerWaalsContact C-N 3.34Å; G789-F791 VanDerWaalsContact C-N 3.33Å; G789-F791 PolarHBondContact O-N 3.09Å; G789-L792 PolarHBondContact O-N 2.9Å; G789-Y793 PolarHBondContact O-N 3.5Å |
| 790 | V | 85.3 | Confident | 84.9 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 173.1 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | T585 V614 I618 V786 L787 Y793 M794 | T585-V790 HydrophobicContact CG2-CG2 3.63Å; V614-V790 HydrophobicContact CG1-CG1 3.7Å; V614-V790 HydrophobicContact CG1-CG2 4.05Å; I618-V790 HydrophobicContact CD1-CG2 4.03Å; I618-V790 HydrophobicContact CG1-CG2 3.78Å; V786-V790 WeakPolarHBondContact O-CG2 3.3Å; V786-V790 PolarHBondContact O-N 3.33Å; L787-V790 PolarHBondContact O-N 2.89Å; V790-Y793 PolarHBondContact O-N 2.8Å; V790-M794 HydrophobicContact CG1-CE 4.1Å; V790-M794 HydrophobicContact CG1-CG 4.36Å; V790-M794 HydrophobicContact CG1-SD 4.37Å; V790-M794 WeakPolarHBondContact O-CG 3.32Å; V790-M794 PolarHBondContact O-N 3.34Å |
| 791 | F | 83.9 | Confident | 84.5 | Confident | 11 Ų | 11 | 28.3 Ų | 28.3 | 5% | 0.048 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 174.5 | -69.7 | -13.8 | 0 | 0 | 0 | 112.9 | S371 P372 A489 L787 Y788 G789 Y793 M794 G795 | S371-F791 WeakPolarHBondContact OG-CE2 3.42Å; S371-F791 WeakPolarHBondContact OG-CZ 3.1Å; P372-F791 HydrophobicContact CB-CZ 4.39Å; P372-F791 VanDerWaalsContact CD-CZ 3.41Å; P372-F791 HydrophobicContact CG-CE1 3.67Å; P372-F791 HydrophobicContact CG-CZ 3.46Å; P372-F791 VanDerWaalsContact CG-CZ 3.46Å; A489-F791 HydrophobicContact CB-CB 4.18Å; L787-F791 WeakPolarHBondContact O-CG 3.49Å; L787-F791 PolarHBondContact O-N 3.26Å; Y788-F791 HydrophobicContact CD1-CD2 4.17Å; Y788-F791 HydrophobicContact CD1-CE2 4.35Å; Y788-F791 WeakPolarHBondContact O-CB 3.45Å; Y788-F791 PolarHBondContact O-N 3.25Å; G789-F791 VanDerWaalsContact C-N 3.33Å; G789-F791 PolarHBondContact O-N 3.09Å; F791-Y793 VanDerWaalsContact C-N 3.31Å; F791-Y793 PolarHBondContact O-N 3.48Å; F791-M794 HydrophobicContact CD1-CE 3.52Å; F791-M794 HydrophobicContact CE1-CE 4.08Å; F791-M794 PolarHBondContact O-N 3.21Å; F791-G795 PolarHBondContact O-N 2.84Å |
| 792 | L | 88.4 | Confident | 84.5 | Confident | 23 Ų | 23 | 24.6 Ų | 24.6 | 12% | 0.12 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 176.1 | -175.2 | 68.3 | 0 | 0 | 0 | 110.8 | I486 A489 L490 F582 V586 Y788 G789 G795 A796 | I486-L792 HydrophobicContact CB-CD1 4.25Å; I486-L792 HydrophobicContact CG1-CD1 4.22Å; I486-L792 HydrophobicContact CG2-CD1 3.76Å; A489-L792 HydrophobicContact CB-CB 4.25Å; L490-L792 HydrophobicContact CG-CD1 4.47Å; F582-L792 HydrophobicContact CE1-CD2 3.5Å; F582-L792 HydrophobicContact CE2-CB 4.4Å; F582-L792 HydrophobicContact CZ-CB 3.92Å; F582-L792 HydrophobicContact CZ-CD2 3.48Å; F582-L792 VanDerWaalsContact CZ-CD2 3.48Å; F582-L792 HydrophobicContact CZ-CG 4.2Å; V586-L792 HydrophobicContact CG2-CB 4.07Å; V586-L792 HydrophobicContact CG2-CD2 3.78Å; V586-L792 HydrophobicContact CG2-CG 4.25Å; Y788-L792 PolarHBondContact O-N 2.84Å; G789-L792 PolarHBondContact O-N 2.9Å; L792-G795 PolarHBondContact O-N 2.8Å; L792-A796 WeakPolarHBondContact O-CB 3.49Å; L792-A796 PolarHBondContact O-N 2.99Å |
| 793 | Y | 87.9 | Confident | 84.3 | Confident | 26 Ų | 26 | 24.8 Ų | 24.8 | 10% | 0.102 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.8 | -46.2 | 176 | 171.2 | -101 | 0 | 0 | 0 | 112.4 | A590 K593 V614 G789 V790 F791 G795 A796 S797 | A590-Y793 HydrophobicContact CB-CE2 4.37Å; K593-Y793 WeakPolarHBondContact CB-OH 3.35Å; K593-Y793 WeakPolarHBondContact CG-OH 3.3Å; V614-Y793 HydrophobicContact CG2-CD1 4.07Å; V614-Y793 HydrophobicContact CG2-CE1 3.59Å; G789-Y793 PolarHBondContact O-N 3.5Å; V790-Y793 PolarHBondContact O-N 2.8Å; F791-Y793 VanDerWaalsContact C-N 3.31Å; F791-Y793 PolarHBondContact O-N 3.48Å; Y793-G795 PolarHBondContact O-N 2.8Å; Y793-A796 PolarHBondContact O-N 2.87Å; Y793-S797 VanDerWaalsContact O-CB 3.29Å; Y793-S797 WeakPolarHBondContact O-CB 3.25Å; Y793-S797 PolarHBondContact O-N 3.04Å |
| 794 | M | 83.9 | Confident | 84.3 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 178.9 | -73.7 | -170.6 | -60.5 | 0 | 0 | 111.9 | F364 A368 T732 V790 F791 S797 S798 | F364-M794 HydrophobicContact CE2-SD 4.24Å; F364-M794 HydrophobicContact CZ-CG 4.39Å; F364-M794 HydrophobicContact CZ-SD 3.96Å; A368-M794 HydrophobicContact CB-CE 3.99Å; A368-M794 HydrophobicContact CB-SD 3.75Å; T732-M794 HydrophobicContact CG2-CB 4.27Å; T732-M794 HydrophobicContact CG2-CG 4.2Å; T732-M794 HydrophobicContact CG2-SD 4.35Å; V790-M794 HydrophobicContact CG1-CE 4.1Å; V790-M794 HydrophobicContact CG1-CG 4.36Å; V790-M794 HydrophobicContact CG1-SD 4.37Å; V790-M794 WeakPolarHBondContact O-CG 3.32Å; V790-M794 PolarHBondContact O-N 3.34Å; F791-M794 HydrophobicContact CD1-CE 3.52Å; F791-M794 HydrophobicContact CE1-CE 4.08Å; F791-M794 PolarHBondContact O-N 3.21Å; M794-S797 PolarHBondContact O-N 3.46Å; M794-S798 PolarHBondContact O-N 3.34Å; M794-S798 VanDerWaalsContact O-N 3.1Å; M794-S798 PolarHBondContact O-OG 2.73Å; M794-S798 VanDerWaalsContact O-OG 3.07Å |
| 795 | G | 85.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | F791 L792 Y793 S798 | F791-G795 PolarHBondContact O-N 2.84Å; L792-G795 PolarHBondContact O-N 2.8Å; Y793-G795 PolarHBondContact O-N 2.8Å; G795-S798 PolarHBondContact O-OG 3.35Å |
| 796 | A | 85.9 | Confident | 84.2 | Confident | 50 Ų | 50 | 28.7 Ų | 28.7 | 41% | 0.413 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -70.1 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L792 Y793 S798 L799 | L792-A796 WeakPolarHBondContact O-CB 3.49Å; L792-A796 PolarHBondContact O-N 2.99Å; Y793-A796 PolarHBondContact O-N 2.87Å; A796-S798 VanDerWaalsContact C-N 3.31Å; A796-S798 PolarHBondContact O-N 2.69Å; A796-L799 PolarHBondContact O-N 2.71Å |
| 797 | S | 83.8 | Confident | 84 | Confident | 41 Ų | 41 | 28.8 Ų | 28.8 | 29% | 0.287 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.6 | -30.3 | 179.8 | -176.3 | 0 | 0 | 0 | 0 | 112.7 | Y793 M794 | Y793-S797 VanDerWaalsContact O-CB 3.29Å; Y793-S797 WeakPolarHBondContact O-CB 3.25Å; Y793-S797 PolarHBondContact O-N 3.04Å; M794-S797 PolarHBondContact O-N 3.46Å |
| 798 | S | 82.3 | Confident | 84.1 | Confident | 8 Ų | 8 | 31 Ų | 31 | 6% | 0.056 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -75.3 | -24.1 | 177 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | C482 M794 G795 A796 | C482-S798 PolarHBondContact SG-OG 2.86Å; M794-S798 PolarHBondContact O-N 3.34Å; M794-S798 VanDerWaalsContact O-N 3.1Å; M794-S798 PolarHBondContact O-OG 2.73Å; M794-S798 VanDerWaalsContact O-OG 3.07Å; G795-S798 PolarHBondContact O-OG 3.35Å; A796-S798 VanDerWaalsContact C-N 3.31Å; A796-S798 PolarHBondContact O-N 2.69Å |
| 799 | L | 82.6 | Confident | 84 | Confident | 18 Ų | 18 | 33 Ų | 33 | 9% | 0.094 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.4 | -34.6 | 175.1 | -78.6 | 162.1 | 0 | 0 | 0 | 113.1 | C482 I486 A796 G801 I802 F805 | C482-L799 HydrophobicContact CB-CD1 4.4Å; C482-L799 HydrophobicContact CB-CD2 3.93Å; C482-L799 HydrophobicContact CB-CG 3.8Å; I486-L799 HydrophobicContact CD1-CD1 3.4Å; A796-L799 PolarHBondContact O-N 2.71Å; L799-G801 PolarHBondContact O-N 2.92Å; L799-I802 PolarHBondContact O-N 2.85Å; L799-F805 HydrophobicContact CD2-CD2 4.19Å |
| 800 | R | 77.3 | Confident | 83.8 | Confident | 161 Ų | 161 | 33.5 Ų | 33.5 | 61% | 0.608 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -9.3 | -176.4 | -165 | 172.8 | 68.6 | 171 | -0.5 | 114.3 | ||
| 801 | G | 71.4 | Confident | 83.8 | Confident | 52 Ų | 52 | 37.7 Ų | 37.7 | 54% | 0.536 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 2.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | L799 | L799-G801 PolarHBondContact O-N 2.92Š|
| 802 | I | 82 | Confident | 83.7 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | trans | -101.7 | 123.8 | -174.1 | -56.2 | 176.9 | 0 | 0 | 0 | 109.2 | E475 A478 L799 F804 F805 D806 | E475-I802 HydrophobicContact CB-CG2 3.8Å; E475-I802 HydrophobicContact CG-CG2 3.89Å; A478-I802 HydrophobicContact CB-CD1 3.99Å; L799-I802 PolarHBondContact O-N 2.85Å; I802-F804 VanDerWaalsContact C-N 3.26Å; I802-F804 HydrophobicContact CG2-CB 3.9Å; I802-F804 PolarHBondContact O-N 3.3Å; I802-F805 WeakPolarHBondContact O-CB 3.46Å; I802-F805 PolarHBondContact O-N 3.43Å; I802-D806 PolarHBondContact O-N 3.44Å | ||
| 803 | Q | 82.3 | Confident | 83.4 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -29.9 | -179.6 | -79.2 | -175.3 | -0.9 | 0 | 0 | 113 | R471 E475 F805 D806 R807 | R471-Q803 VanDerWaalsContact NH1-NE2 3.1Å; E475-Q803 WeakPolarHBondContact OE1-CB 3.42Å; E475-Q803 PolarHBondContact OE1-N 2.82Å; Q803-F805 PolarHBondContact O-N 3.06Å; Q803-D806 PolarHBondContact O-N 3.29Å; Q803-R807 WeakPolarHBondContact O-CB 3.44Å; Q803-R807 WeakPolarHBondContact O-CG 3.29Å; Q803-R807 PolarHBondContact O-N 3.24Å; Q803-R807 PolarHBondContact O-NE 3.07Å |
| 804 | F | 86.5 | Confident | 83 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.022 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -52.9 | -42.9 | 170 | 173.6 | -114.4 | 0 | 0 | 0 | 112.3 | E475 I802 R807 L808 Q839 L840 L843 | E475-F804 HydrophobicContact CB-CB 4.21Å; E475-F804 PolarHBondContact OE2-N 3.46Å; I802-F804 VanDerWaalsContact C-N 3.26Å; I802-F804 HydrophobicContact CG2-CB 3.9Å; I802-F804 PolarHBondContact O-N 3.3Å; F804-R807 PolarHBondContact O-N 3.16Å; F804-L808 WeakPolarHBondContact O-CB 3.48Å; F804-L808 PolarHBondContact O-N 2.7Å; F804-Q839 HydrophobicContact CD2-CB 4.07Å; F804-Q839 HydrophobicContact CD2-CG 3.73Å; F804-Q839 HydrophobicContact CE2-CB 3.79Å; F804-Q839 HydrophobicContact CE2-CG 3.76Å; F804-Q839 HydrophobicContact CG-CG 4.46Å; F804-L840 HydrophobicContact CE2-CB 4.43Å; F804-L840 HydrophobicContact CZ-CB 4.19Å; F804-L840 HydrophobicContact CZ-CD1 4.09Å; F804-L843 HydrophobicContact CE1-CD1 4.09Å |
| 805 | F | 85.8 | Confident | 82.5 | Confident | 78 Ų | 78 | 48.7 Ų | 48.7 | 34% | 0.342 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.4 | -41.4 | 178.8 | -168.8 | -98.7 | 0 | 0 | 0 | 111.4 | L799 I802 Q803 R807 L808 T809 | L799-F805 HydrophobicContact CD2-CD2 4.19Å; I802-F805 WeakPolarHBondContact O-CB 3.46Å; I802-F805 PolarHBondContact O-N 3.43Å; Q803-F805 PolarHBondContact O-N 3.06Å; F805-R807 VanDerWaalsContact C-N 3.31Å; F805-R807 PolarHBondContact O-N 3.3Å; F805-L808 HydrophobicContact CD2-CD2 4.46Å; F805-L808 WeakPolarHBondContact O-CA 3.41Å; F805-L808 WeakPolarHBondContact O-CB 3.46Å; F805-L808 PolarHBondContact O-N 2.61Å; F805-L808 VanDerWaalsContact O-N 3.08Å; F805-T809 HydrophobicContact CD1-CG2 4.06Å; F805-T809 HydrophobicContact CE1-CG2 3.74Å; F805-T809 HydrophobicContact CZ-CG2 4.24Å; F805-T809 WeakPolarHBondContact O-CG2 3.37Å; F805-T809 PolarHBondContact O-N 3.01Å |
| 806 | D | 83.6 | Confident | 82.1 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 22% | 0.219 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 173.7 | -63.9 | -26 | 0 | 0 | 0 | 110.8 | I802 Q803 L808 T809 L810 F821 | I802-D806 PolarHBondContact O-N 3.44Å; Q803-D806 PolarHBondContact O-N 3.29Å; D806-L808 VanDerWaalsContact C-N 3.3Å; D806-L808 PolarHBondContact O-N 3.3Å; D806-T809 PolarHBondContact O-N 3.22Å; D806-T809 VanDerWaalsContact O-N 3.15Å; D806-T809 PolarHBondContact O-OG1 3.26Å; D806-L810 WeakPolarHBondContact O-CG 3.47Å; D806-L810 PolarHBondContact O-N 3.42Å; D806-L810 VanDerWaalsContact O-N 3.12Å; D806-F821 HydrophobicContact CB-CE2 4.33Å; D806-F821 HydrophobicContact CB-CZ 4.04Å |
| 807 | R | 86.8 | Confident | 81.4 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.2 | -32 | 175.8 | -66 | 177.8 | -74.7 | -174.3 | -3.2 | 112.9 | E475 Q803 F804 F805 L810 Y823 T836 | E475-R807 IonicContact OE2-CZ 2.69Å; E475-R807 IonicContact OE2-NH2 3.01Å; E475-R807 PolarHBondContact OE2-NH2 3.21Å; Q803-R807 WeakPolarHBondContact O-CB 3.44Å; Q803-R807 WeakPolarHBondContact O-CG 3.29Å; Q803-R807 PolarHBondContact O-N 3.24Å; Q803-R807 PolarHBondContact O-NE 3.07Å; F804-R807 PolarHBondContact O-N 3.16Å; F805-R807 VanDerWaalsContact C-N 3.31Å; F805-R807 PolarHBondContact O-N 3.3Å; R807-L810 WeakPolarHBondContact O-CB 3.49Å; R807-L810 PolarHBondContact O-N 2.88Å; R807-Y823 HydrophobicContact CG-CE2 4.25Å; R807-Y823 WeakPolarHBondContact CG-OH 3.15Å; R807-T836 HydrophobicContact CB-CG2 3.44Å; R807-T836 VanDerWaalsContact CB-CG2 3.44Å; R807-T836 HydrophobicContact CG-CG2 4.32Å |
| 808 | L | 86.9 | Confident | 80.7 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 29% | 0.293 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.5 | -41.2 | 172.5 | -172.1 | 67.5 | 0 | 0 | 0 | 111 | F804 F805 D806 L810 F811 L840 | F804-L808 WeakPolarHBondContact O-CB 3.48Å; F804-L808 PolarHBondContact O-N 2.7Å; F805-L808 HydrophobicContact CD2-CD2 4.46Å; F805-L808 WeakPolarHBondContact O-CA 3.41Å; F805-L808 WeakPolarHBondContact O-CB 3.46Å; F805-L808 PolarHBondContact O-N 2.61Å; F805-L808 VanDerWaalsContact O-N 3.08Å; D806-L808 VanDerWaalsContact C-N 3.3Å; D806-L808 PolarHBondContact O-N 3.3Å; L808-L810 PolarHBondContact O-N 2.78Å; L808-F811 HydrophobicContact CD1-CD2 4.28Å; L808-F811 WeakPolarHBondContact O-CB 3.29Å; L808-F811 PolarHBondContact O-N 3.42Å; L808-L840 HydrophobicContact CD1-CD2 4.29Å |
| 809 | T | 84.1 | Confident | 80.1 | Confident | 68 Ų | 68 | 62.7 Ų | 62.7 | 42% | 0.417 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.9 | -26.9 | 176.3 | 62.3 | 0 | 0 | 0 | 0 | 112.9 | F805 D806 F811 G812 M813 | F805-T809 HydrophobicContact CD1-CG2 4.06Å; F805-T809 HydrophobicContact CE1-CG2 3.74Å; F805-T809 HydrophobicContact CZ-CG2 4.24Å; F805-T809 WeakPolarHBondContact O-CG2 3.37Å; F805-T809 PolarHBondContact O-N 3.01Å; D806-T809 PolarHBondContact O-N 3.22Å; D806-T809 VanDerWaalsContact O-N 3.15Å; D806-T809 PolarHBondContact O-OG1 3.26Å; T809-F811 PolarHBondContact O-N 3.39Å; T809-G812 PolarHBondContact O-N 3.38Å; T809-M813 PolarHBondContact O-N 3.24Å |
| 810 | L | 84 | Confident | 78.9 | Confident | 10 Ų | 10 | 69.7 Ų | 69.7 | 5% | 0.052 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -60.4 | -25.8 | 173.7 | -67.3 | 176.4 | 0 | 0 | 0 | 113.3 | D806 R807 L808 G812 M813 Q818 P819 F821 Y823 L824 | D806-L810 WeakPolarHBondContact O-CG 3.47Å; D806-L810 PolarHBondContact O-N 3.42Å; D806-L810 VanDerWaalsContact O-N 3.12Å; R807-L810 WeakPolarHBondContact O-CB 3.49Å; R807-L810 PolarHBondContact O-N 2.88Å; L808-L810 PolarHBondContact O-N 2.78Å; L810-G812 VanDerWaalsContact C-N 3.29Å; L810-G812 PolarHBondContact O-N 3.24Å; L810-M813 HydrophobicContact CD2-SD 4.42Å; L810-M813 PolarHBondContact O-N 3.43Å; L810-Q818 HydrophobicContact CD2-CG 3.91Å; L810-P819 HydrophobicContact CD2-CG 4.38Å; L810-F821 HydrophobicContact CD1-CD2 4.38Å; L810-F821 HydrophobicContact CD1-CE2 4.49Å; L810-F821 HydrophobicContact CD2-CE2 4.3Å; L810-Y823 HydrophobicContact CD1-CE2 4.47Å; L810-L824 HydrophobicContact CD1-CD1 4.36Å; L810-L824 HydrophobicContact CD1-CD2 4.19Å |
| 811 | F | 84.4 | Confident | 78.5 | Confident | 92 Ų | 92 | 65 Ų | 65 | 40% | 0.404 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -65 | -33.5 | 173.2 | -80.6 | -78.1 | 0 | 0 | 0 | 113.1 | L808 T809 H833 T836 I837 | L808-F811 HydrophobicContact CD1-CD2 4.28Å; L808-F811 WeakPolarHBondContact O-CB 3.29Å; L808-F811 PolarHBondContact O-N 3.42Å; T809-F811 PolarHBondContact O-N 3.39Å; F811-H833 AromaticContact CD1-CE1 3.79Å; F811-H833 AromaticContact CD1-ND1 3.37Å; F811-H833 WeakPolarHBondContact CD1-ND1 3.42Å; F811-H833 AromaticContact CD2-ND1 3.93Å; F811-H833 HydrophobicContact CE1-CB 3.68Å; F811-H833 AromaticContact CE1-CE1 3.94Å; F811-H833 AromaticContact CE1-CG 3.53Å; F811-H833 AromaticContact CE1-ND1 3.08Å; F811-H833 WeakPolarHBondContact CE1-ND1 3.39Å; F811-H833 AromaticContact CE2-ND1 3.69Å; F811-H833 AromaticContact CG-ND1 3.78Å; F811-H833 HydrophobicContact CZ-CB 3.66Å; F811-H833 AromaticContact CZ-CG 3.77Å; F811-H833 AromaticContact CZ-ND1 3.24Å; F811-H833 WeakPolarHBondContact CZ-ND1 3.48Å; F811-T836 WeakPolarHBondContact CE2-OG1 3.28Å; F811-T836 VanDerWaalsContact CZ-OG1 3.24Å; F811-T836 WeakPolarHBondContact CZ-OG1 3.44Å; F811-I837 HydrophobicContact CE1-CD1 4.31Å; F811-I837 HydrophobicContact CE1-CG1 4.47Å; F811-I837 HydrophobicContact CZ-CD1 4.08Å; F811-I837 HydrophobicContact CZ-CG1 3.82Å |
| 812 | G | 82.1 | Confident | 78.1 | Confident | 75 Ų | 75 | 66.2 Ų | 66.2 | 77% | 0.773 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -89.3 | -4.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T809 L810 | T809-G812 PolarHBondContact O-N 3.38Å; L810-G812 VanDerWaalsContact C-N 3.29Å; L810-G812 PolarHBondContact O-N 3.24Å |
| 813 | M | 81.9 | Confident | 77.4 | Confident | 73 Ų | 73 | 66.1 Ų | 66.1 | 36% | 0.36 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -99.5 | 126 | -173.2 | -159.2 | 172.1 | -151.2 | 0 | 0 | 110.7 | T809 L810 H817 P819 | T809-M813 PolarHBondContact O-N 3.24Å; L810-M813 HydrophobicContact CD2-SD 4.42Å; L810-M813 PolarHBondContact O-N 3.43Å; M813-H817 HydrophobicContact CE-CB 3.81Å; M813-H817 WeakPolarHBondContact CE-O 3.44Å; M813-H817 HydrophobicContact CG-CB 4.26Å; M813-P819 WeakPolarHBondContact SD-CD 3.21Å; M813-P819 HydrophobicContact SD-CG 4.49Å |
| 814 | P | 80.9 | Confident | 76.7 | Confident | 81 Ų | 81 | 66.2 Ų | 66.2 | 53% | 0.526 | 37% | 0.371 | S | S | . | . | trans | -67.1 | 141.1 | 173.2 | 28.3 | -33.6 | 0 | 0 | 0 | 109.7 | K816 H817 | P814-K816 PolarHBondContact O-N 3.49Å; P814-H817 HydrophobicContact CG-CB 4.44Å; P814-H817 PolarHBondContact O-N 2.91Å | ||
| 815 | G | 72.9 | Confident | 75.6 | Confident | 63 Ų | 63 | 76.2 Ų | 76.2 | 65% | 0.649 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -15.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 816 | K | 75.6 | Confident | 74.7 | Confident | 163 Ų | 163 | 75.3 Ų | 75.3 | 71% | 0.709 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -29.6 | 173.2 | -68.6 | -171.3 | 178.8 | -173.3 | 0 | 114.3 | P814 | P814-K816 PolarHBondContact O-N 3.49Š|
| 817 | H | 72.7 | Confident | 74.2 | Confident | 134 Ų | 134 | 73.5 Ų | 73.5 | 62% | 0.62 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -100.7 | 5.2 | -177.2 | -65.1 | 80.2 | 0 | 0 | 0 | 112.1 | M813 P814 | M813-H817 HydrophobicContact CE-CB 3.81Å; M813-H817 WeakPolarHBondContact CE-O 3.44Å; M813-H817 HydrophobicContact CG-CB 4.26Å; P814-H817 HydrophobicContact CG-CB 4.44Å; P814-H817 PolarHBondContact O-N 2.91Å |
| 818 | Q | 69.3 | Low | 73.8 | Confident | 47 Ų | 47 | 77 Ų | 77 | 22% | 0.22 | 42% | 0.419 | C | S | . | . | trans | -62.6 | 127.9 | -173.2 | -173.2 | 164.7 | -9.4 | 0 | 0 | 110.9 | L810 L824 L829 | L810-Q818 HydrophobicContact CD2-CG 3.91Å; Q818-L824 HydrophobicContact CG-CD1 3.86Å; Q818-L829 VanDerWaalsContact NE2-CD2 3.31Å | ||
| 819 | P | 69.1 | Low | 73.4 | Confident | 50 Ų | 50 | 77.6 Ų | 77.6 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | trans | -70.1 | 149.9 | 176.8 | 28.9 | -36.8 | 0 | 0 | 0 | 111.3 | L810 M813 F821 L824 | L810-P819 HydrophobicContact CD2-CG 4.38Å; M813-P819 WeakPolarHBondContact SD-CD 3.21Å; M813-P819 HydrophobicContact SD-CG 4.49Å; P819-F821 HydrophobicContact CB-CE2 4.24Å; P819-F821 HydrophobicContact CB-CZ 4.29Å; P819-F821 HydrophobicContact CG-CD2 3.8Å; P819-F821 HydrophobicContact CG-CE1 4.45Å; P819-F821 HydrophobicContact CG-CE2 3.31Å; P819-F821 HydrophobicContact CG-CZ 3.68Å; P819-F821 PolarHBondContact O-N 3.41Å; P819-L824 WeakPolarHBondContact O-CD1 3.29Å | ||
| 820 | D | 57.8 | Low | 73.3 | Confident | 165 Ų | 165 | 85 Ų | 85 | 88% | 0.882 | 44% | 0.443 | S | S | * | . | trans | -75.1 | 65.6 | -179.6 | -62.7 | -33.4 | 0 | 0 | 0 | 112.5 | ||||
| 821 | F | 68 | Low | 73.3 | Confident | 61 Ų | 61 | 87.7 Ų | 87.7 | 27% | 0.268 | 45% | 0.454 | S | S | . | . | trans | -73.3 | 134.8 | 170 | -59 | -59.3 | 0 | 0 | 0 | 110.5 | D806 L810 P819 Y823 L824 | D806-F821 HydrophobicContact CB-CE2 4.33Å; D806-F821 HydrophobicContact CB-CZ 4.04Å; L810-F821 HydrophobicContact CD1-CD2 4.38Å; L810-F821 HydrophobicContact CD1-CE2 4.49Å; L810-F821 HydrophobicContact CD2-CE2 4.3Å; P819-F821 HydrophobicContact CB-CE2 4.24Å; P819-F821 HydrophobicContact CB-CZ 4.29Å; P819-F821 HydrophobicContact CG-CD2 3.8Å; P819-F821 HydrophobicContact CG-CE1 4.45Å; P819-F821 HydrophobicContact CG-CE2 3.31Å; P819-F821 HydrophobicContact CG-CZ 3.68Å; P819-F821 PolarHBondContact O-N 3.41Å; F821-Y823 HydrophobicContact CB-CD1 3.88Å; F821-Y823 HydrophobicContact CB-CE1 3.42Å; F821-Y823 VanDerWaalsContact CB-CE1 3.42Å; F821-Y823 HydrophobicContact CB-CE2 4.13Å; F821-Y823 HydrophobicContact CB-CG 4.41Å; F821-Y823 HydrophobicContact CD1-CE1 4.4Å; F821-Y823 HydrophobicContact CD2-CE1 4.25Å; F821-Y823 HydrophobicContact CD2-CE2 4.47Å; F821-Y823 AromaticContact CD2-CZ 3.73Å; F821-Y823 WeakPolarHBondContact CD2-OH 3.47Å; F821-Y823 AromaticContact CG-CE1 3.82Å; F821-Y823 HydrophobicContact CG-CE1 3.82Å; F821-Y823 AromaticContact CG-CZ 3.77Å; F821-Y823 PolarHBondContact O-N 3.05Å; F821-Y823 VanDerWaalsContact O-N 3.14Å; F821-L824 HydrophobicContact CB-CD1 3.82Å; F821-L824 HydrophobicContact CB-CG 4.12Å; F821-L824 HydrophobicContact CD2-CD1 3.78Å; F821-L824 HydrophobicContact CG-CD1 4.26Å; F821-L824 VanDerWaalsContact O-CB 3.31Å; F821-L824 WeakPolarHBondContact O-CB 3.38Å; F821-L824 PolarHBondContact O-N 3.16Å | ||
| 822 | V | 62.6 | Low | 73.3 | Confident | 79 Ų | 79 | 83.4 Ų | 83.4 | 48% | 0.479 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.6 | -28.9 | -172.4 | -156.6 | 0 | 0 | 0 | 0 | 113.3 | L824 R825 H826 W883 | V822-L824 VanDerWaalsContact C-N 3.27Å; V822-L824 PolarHBondContact O-N 3.02Å; V822-R825 PolarHBondContact O-N 3.36Å; V822-H826 PolarHBondContact O-CD2 3.15Å; V822-W883 HydrophobicContact CG1-CZ3 4.2Å |
| 823 | Y | 68.5 | Low | 73.5 | Confident | 12 Ų | 12 | 82 Ų | 82 | 5% | 0.047 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70 | -22 | 175.9 | 59.5 | -100.2 | 0 | 0 | 0 | 113.5 | R807 L810 F821 R825 H826 V827 V832 L884 | R807-Y823 HydrophobicContact CG-CE2 4.25Å; R807-Y823 WeakPolarHBondContact CG-OH 3.15Å; L810-Y823 HydrophobicContact CD1-CE2 4.47Å; F821-Y823 HydrophobicContact CB-CD1 3.88Å; F821-Y823 HydrophobicContact CB-CE1 3.42Å; F821-Y823 VanDerWaalsContact CB-CE1 3.42Å; F821-Y823 HydrophobicContact CB-CE2 4.13Å; F821-Y823 HydrophobicContact CB-CG 4.41Å; F821-Y823 HydrophobicContact CD1-CE1 4.4Å; F821-Y823 HydrophobicContact CD2-CE1 4.25Å; F821-Y823 HydrophobicContact CD2-CE2 4.47Å; F821-Y823 AromaticContact CD2-CZ 3.73Å; F821-Y823 WeakPolarHBondContact CD2-OH 3.47Å; F821-Y823 AromaticContact CG-CE1 3.82Å; F821-Y823 HydrophobicContact CG-CE1 3.82Å; F821-Y823 AromaticContact CG-CZ 3.77Å; F821-Y823 PolarHBondContact O-N 3.05Å; F821-Y823 VanDerWaalsContact O-N 3.14Å; Y823-R825 PolarHBondContact O-N 3.35Å; Y823-H826 PolarHBondContact O-N 3.34Å; Y823-V827 PolarHBondContact O-N 3.24Å; Y823-V832 HydrophobicContact CE2-CG1 4.4Å; Y823-L884 HydrophobicContact CD2-CD2 4.4Å |
| 824 | L | 66.4 | Low | 73.9 | Confident | 35 Ų | 35 | 82 Ų | 82 | 18% | 0.183 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -72.5 | -18.8 | 176.9 | -68 | 167.9 | 0 | 0 | 0 | 112.7 | L810 Q818 P819 F821 V822 L829 V832 | L810-L824 HydrophobicContact CD1-CD1 4.36Å; L810-L824 HydrophobicContact CD1-CD2 4.19Å; Q818-L824 HydrophobicContact CG-CD1 3.86Å; P819-L824 WeakPolarHBondContact O-CD1 3.29Å; F821-L824 HydrophobicContact CB-CD1 3.82Å; F821-L824 HydrophobicContact CB-CG 4.12Å; F821-L824 HydrophobicContact CD2-CD1 3.78Å; F821-L824 HydrophobicContact CG-CD1 4.26Å; F821-L824 VanDerWaalsContact O-CB 3.31Å; F821-L824 WeakPolarHBondContact O-CB 3.38Å; F821-L824 PolarHBondContact O-N 3.16Å; V822-L824 VanDerWaalsContact C-N 3.27Å; V822-L824 PolarHBondContact O-N 3.02Å; L824-L829 HydrophobicContact CD2-CD2 3.79Å; L824-V832 HydrophobicContact CD2-CG2 4.49Å |
| 825 | R | 65 | Low | 74.2 | Confident | 215 Ų | 215 | 78.1 Ų | 78.1 | 81% | 0.811 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -76.4 | -33 | 177.1 | -169.2 | 174.9 | -176.6 | 170.5 | -0.8 | 112.4 | V822 Y823 | V822-R825 PolarHBondContact O-N 3.36Å; Y823-R825 PolarHBondContact O-N 3.35Å |
| 826 | H | 65.8 | Low | 75 | Confident | 59 Ų | 59 | 75.1 Ų | 75.1 | 27% | 0.273 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -105.7 | -19.2 | -173.2 | -60.1 | -85.7 | 0 | 0 | 0 | 113.6 | V822 Y823 W883 E897 | V822-H826 PolarHBondContact O-CD2 3.15Å; Y823-H826 PolarHBondContact O-N 3.34Å; H826-W883 HydrophobicContact CB-CD2 3.99Å; H826-W883 HydrophobicContact CB-CE3 4.38Å; H826-W883 HydrophobicContact CB-CG 4.26Å; H826-W883 HydrophobicContact CB-CH2 4.47Å; H826-W883 HydrophobicContact CB-CZ2 4.18Å; H826-W883 AromaticContact CD2-CE3 3.89Å; H826-W883 AromaticContact CD2-CH2 3.11Å; H826-W883 WeakPolarHBondContact CD2-CH2 3.32Å; H826-W883 AromaticContact CD2-CZ2 3.59Å; H826-W883 AromaticContact CD2-CZ3 3.26Å; H826-W883 WeakPolarHBondContact CD2-CZ3 3.26Å; H826-W883 AromaticContact CE1-CH2 3.73Å; H826-W883 AromaticContact CE1-CZ2 3.86Å; H826-W883 AromaticContact CG-CE2 3.78Å; H826-W883 AromaticContact CG-CH2 3.63Å; H826-W883 AromaticContact CG-CZ2 3.57Å; H826-W883 AromaticContact CG-CZ3 3.97Å; H826-W883 AromaticContact ND1-CH2 3.98Å; H826-W883 AromaticContact ND1-CZ2 3.76Å; H826-W883 AromaticContact NE2-CH2 3.23Å; H826-W883 WeakPolarHBondContact NE2-CH2 3.34Å; H826-W883 AromaticContact NE2-CZ2 3.81Å; H826-W883 AromaticContact NE2-CZ3 3.76Å; H826-E897 IonicContact CE1-OE1 2.68Å; H826-E897 IonicContact NE2-OE1 3.09Å |
| 827 | V | 73.5 | Confident | 75.8 | Confident | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -120.2 | 127.2 | -178.4 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | Y823 K831 V832 E880 W883 L884 | Y823-V827 PolarHBondContact O-N 3.24Å; V827-K831 HydrophobicContact CG1-CB 3.92Å; V827-V832 HydrophobicContact CB-CG2 4.19Å; V827-V832 HydrophobicContact CG1-CG2 3.86Å; V827-E880 HydrophobicContact CG1-CG 4.42Å; V827-E880 HydrophobicContact CG2-CB 4.42Å; V827-W883 HydrophobicContact CG2-CB 3.83Å; V827-W883 HydrophobicContact CG2-CG 4.39Å; V827-L884 HydrophobicContact CG1-CD1 4.36Å |
| 828 | P | 78.9 | Confident | 76.6 | Confident | 75 Ų | 75 | 67.2 Ų | 67.2 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | trans | -64.8 | 140.7 | 179.5 | 26.4 | -34.2 | 0 | 0 | 0 | 111.4 | R830 K831 V832 | P828-R830 PolarHBondContact O-N 3.46Å; P828-K831 HydrophobicContact CG-CB 4.2Å; P828-K831 HydrophobicContact CG-CG 3.86Å; P828-K831 WeakPolarHBondContact O-CB 3.44Å; P828-K831 PolarHBondContact O-N 3.45Å; P828-V832 PolarHBondContact O-N 3.04Å | ||
| 829 | L | 78.3 | Confident | 77.6 | Confident | 69 Ų | 69 | 65 Ų | 65 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -48.5 | -39.3 | -177.5 | -88.3 | 169.7 | 0 | 0 | 0 | 114.6 | Q818 L824 K831 V832 H833 | Q818-L829 VanDerWaalsContact NE2-CD2 3.31Å; L824-L829 HydrophobicContact CD2-CD2 3.79Å; L829-K831 VanDerWaalsContact C-N 3.28Å; L829-K831 PolarHBondContact O-N 3Å; L829-V832 PolarHBondContact O-N 3.44Å; L829-H833 PolarHBondContact O-CD2 3.47Å; L829-H833 PolarHBondContact O-N 2.81Å |
| 830 | R | 82.4 | Confident | 78.6 | Confident | 225 Ų | 225 | 65.2 Ų | 65.2 | 85% | 0.849 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.3 | -38 | 179.4 | -68.7 | -175.2 | 178.8 | 172.4 | 1 | 112.5 | P828 L834 | P828-R830 PolarHBondContact O-N 3.46Å; R830-L834 WeakPolarHBondContact O-CB 3.26Å; R830-L834 PolarHBondContact O-N 3.37Å |
| 831 | K | 83.1 | Confident | 80.2 | Confident | 66 Ų | 66 | 61 Ų | 61 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73.1 | -39.1 | 178.1 | -71.4 | -76.2 | -166.9 | 154.5 | 0 | 110.9 | V827 P828 L829 L834 F835 I875 F876 E880 | V827-K831 HydrophobicContact CG1-CB 3.92Å; P828-K831 HydrophobicContact CG-CB 4.2Å; P828-K831 HydrophobicContact CG-CG 3.86Å; P828-K831 WeakPolarHBondContact O-CB 3.44Å; P828-K831 PolarHBondContact O-N 3.45Å; L829-K831 VanDerWaalsContact C-N 3.28Å; L829-K831 PolarHBondContact O-N 3Å; K831-L834 PolarHBondContact O-N 3.13Å; K831-F835 WeakPolarHBondContact O-CB 3.43Å; K831-F835 PolarHBondContact O-N 2.86Å; K831-I875 PolarHBondContact NZ-O 2.94Å; K831-F876 HydrophobicContact CB-CE1 4.08Å; K831-F876 HydrophobicContact CD-CD1 4.16Å; K831-F876 HydrophobicContact CD-CE1 3.87Å; K831-E880 IonicContact NZ-OE2 3.71Å |
| 832 | V | 84.3 | Confident | 81.1 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | 172.6 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | Y823 L824 V827 P828 L829 F835 T836 L884 | Y823-V832 HydrophobicContact CE2-CG1 4.4Å; L824-V832 HydrophobicContact CD2-CG2 4.49Å; V827-V832 HydrophobicContact CB-CG2 4.19Å; V827-V832 HydrophobicContact CG1-CG2 3.86Å; P828-V832 PolarHBondContact O-N 3.04Å; L829-V832 PolarHBondContact O-N 3.44Å; V832-F835 WeakPolarHBondContact O-CB 3.3Å; V832-F835 PolarHBondContact O-N 3.12Å; V832-T836 WeakPolarHBondContact O-CG2 3.31Å; V832-T836 PolarHBondContact O-N 3.47Å; V832-T836 PolarHBondContact O-OG1 3.04Å; V832-T836 VanDerWaalsContact O-OG1 3.11Å; V832-L884 HydrophobicContact CG1-CD2 4.43Å; V832-L884 HydrophobicContact CG2-CD2 4.28Å |
| 833 | H | 87.5 | Confident | 82.3 | Confident | 45 Ų | 45 | 55.3 Ų | 55.3 | 21% | 0.208 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 176.4 | -70.7 | -52.9 | 0 | 0 | 0 | 112.3 | F811 L829 F835 T836 I837 | F811-H833 AromaticContact CD1-CE1 3.79Å; F811-H833 AromaticContact CD1-ND1 3.37Å; F811-H833 WeakPolarHBondContact CD1-ND1 3.42Å; F811-H833 AromaticContact CD2-ND1 3.93Å; F811-H833 HydrophobicContact CE1-CB 3.68Å; F811-H833 AromaticContact CE1-CE1 3.94Å; F811-H833 AromaticContact CE1-CG 3.53Å; F811-H833 AromaticContact CE1-ND1 3.08Å; F811-H833 WeakPolarHBondContact CE1-ND1 3.39Å; F811-H833 AromaticContact CE2-ND1 3.69Å; F811-H833 AromaticContact CG-ND1 3.78Å; F811-H833 HydrophobicContact CZ-CB 3.66Å; F811-H833 AromaticContact CZ-CG 3.77Å; F811-H833 AromaticContact CZ-ND1 3.24Å; F811-H833 WeakPolarHBondContact CZ-ND1 3.48Å; L829-H833 PolarHBondContact O-CD2 3.47Å; L829-H833 PolarHBondContact O-N 2.81Å; H833-F835 VanDerWaalsContact C-N 3.33Å; H833-F835 PolarHBondContact O-N 3.34Å; H833-T836 VanDerWaalsContact C-OG1 3.31Å; H833-T836 VanDerWaalsContact CA-OG1 3.27Å; H833-T836 WeakPolarHBondContact CA-OG1 3.48Å; H833-T836 PolarHBondContact O-N 3.06Å; H833-T836 PolarHBondContact O-OG1 2.97Å; H833-I837 VanDerWaalsContact O-CG1 3.3Å; H833-I837 WeakPolarHBondContact O-CG1 3.23Å; H833-I837 PolarHBondContact O-N 3.44Å |
| 834 | L | 88.7 | Confident | 83.4 | Confident | 72 Ų | 72 | 59.1 Ų | 59.1 | 38% | 0.377 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.5 | -46 | 175.5 | -178.2 | 64.3 | 0 | 0 | 0 | 111.6 | R830 K831 T836 I837 I838 I875 F876 | R830-L834 WeakPolarHBondContact O-CB 3.26Å; R830-L834 PolarHBondContact O-N 3.37Å; K831-L834 PolarHBondContact O-N 3.13Å; L834-T836 PolarHBondContact O-N 3.29Å; L834-I837 PolarHBondContact O-N 3.36Å; L834-I838 HydrophobicContact CD1-CD1 4.48Å; L834-I838 HydrophobicContact CG-CD1 4.21Å; L834-I838 WeakPolarHBondContact O-CG1 3Å; L834-I838 PolarHBondContact O-N 3.37Å; L834-I875 HydrophobicContact CD2-CG2 4.24Å; L834-F876 HydrophobicContact CB-CZ 4.36Å; L834-F876 HydrophobicContact CD2-CZ 4.01Å; L834-F876 HydrophobicContact CG-CZ 4.14Å |
| 835 | F | 88.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.7 | -48.7 | 176.8 | -178.9 | -80.7 | 0 | 0 | 0 | 111.5 | F472 K831 V832 H833 I837 I838 Q839 M872 F876 L881 L884 D885 | F472-F835 HydrophobicContact CB-CZ 4.36Å; F472-F835 AromaticContact CD2-CE1 3.69Å; F472-F835 HydrophobicContact CD2-CE1 3.69Å; F472-F835 HydrophobicContact CD2-CE2 4.12Å; F472-F835 AromaticContact CD2-CZ 3.38Å; F472-F835 HydrophobicContact CD2-CZ 3.38Å; F472-F835 HydrophobicContact CE2-CE1 4.12Å; F472-F835 HydrophobicContact CE2-CZ 4.05Å; F472-F835 HydrophobicContact CG-CZ 4.3Å; K831-F835 WeakPolarHBondContact O-CB 3.43Å; K831-F835 PolarHBondContact O-N 2.86Å; V832-F835 WeakPolarHBondContact O-CB 3.3Å; V832-F835 PolarHBondContact O-N 3.12Å; H833-F835 VanDerWaalsContact C-N 3.33Å; H833-F835 PolarHBondContact O-N 3.34Å; F835-I837 VanDerWaalsContact C-N 3.35Å; F835-I837 PolarHBondContact O-N 3.14Å; F835-I838 PolarHBondContact O-N 3.44Å; F835-Q839 PolarHBondContact O-N 3.23Å; F835-M872 HydrophobicContact CD2-CE 3.92Å; F835-M872 HydrophobicContact CD2-SD 3.63Å; F835-M872 HydrophobicContact CE2-CE 3.4Å; F835-M872 HydrophobicContact CE2-SD 3.79Å; F835-M872 HydrophobicContact CZ-CE 4.18Å; F835-F876 HydrophobicContact CB-CE1 4.34Å; F835-F876 HydrophobicContact CB-CZ 4.01Å; F835-L881 HydrophobicContact CD2-CD1 4.41Å; F835-L881 HydrophobicContact CE2-CD1 4.07Å; F835-L884 HydrophobicContact CB-CD1 4.14Å; F835-L884 HydrophobicContact CD2-CB 4.39Å; F835-L884 HydrophobicContact CD2-CD1 3.81Å; F835-L884 HydrophobicContact CE2-CB 4.1Å; F835-L884 HydrophobicContact CE2-CD1 4.34Å; F835-L884 HydrophobicContact CG-CD1 3.98Å; F835-L884 HydrophobicContact CZ-CB 4.29Å; F835-D885 WeakPolarHBondContact CZ-OD1 3.28Å |
| 836 | T | 89.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.9 | -33.6 | 179.2 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | R807 F811 V832 H833 L834 Q839 L840 | R807-T836 HydrophobicContact CB-CG2 3.44Å; R807-T836 VanDerWaalsContact CB-CG2 3.44Å; R807-T836 HydrophobicContact CG-CG2 4.32Å; F811-T836 WeakPolarHBondContact CE2-OG1 3.28Å; F811-T836 VanDerWaalsContact CZ-OG1 3.24Å; F811-T836 WeakPolarHBondContact CZ-OG1 3.44Å; V832-T836 WeakPolarHBondContact O-CG2 3.31Å; V832-T836 PolarHBondContact O-N 3.47Å; V832-T836 PolarHBondContact O-OG1 3.04Å; V832-T836 VanDerWaalsContact O-OG1 3.11Å; H833-T836 VanDerWaalsContact C-OG1 3.31Å; H833-T836 VanDerWaalsContact CA-OG1 3.27Å; H833-T836 WeakPolarHBondContact CA-OG1 3.48Å; H833-T836 PolarHBondContact O-N 3.06Å; H833-T836 PolarHBondContact O-OG1 2.97Å; L834-T836 PolarHBondContact O-N 3.29Å; T836-Q839 PolarHBondContact O-N 3.33Å; T836-L840 VanDerWaalsContact O-CB 3.28Å; T836-L840 WeakPolarHBondContact O-CB 3.43Å; T836-L840 PolarHBondContact O-N 3.22Å |
| 837 | I | 91 | Very high | 86.3 | Confident | 91 Ų | 91 | 51.4 Ų | 51.4 | 47% | 0.467 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 175.5 | -72.8 | 163 | 0 | 0 | 0 | 110.3 | F811 H833 L834 F835 Q839 L840 S841 | F811-I837 HydrophobicContact CE1-CD1 4.31Å; F811-I837 HydrophobicContact CE1-CG1 4.47Å; F811-I837 HydrophobicContact CZ-CD1 4.08Å; F811-I837 HydrophobicContact CZ-CG1 3.82Å; H833-I837 VanDerWaalsContact O-CG1 3.3Å; H833-I837 WeakPolarHBondContact O-CG1 3.23Å; H833-I837 PolarHBondContact O-N 3.44Å; L834-I837 PolarHBondContact O-N 3.36Å; F835-I837 VanDerWaalsContact C-N 3.35Å; F835-I837 PolarHBondContact O-N 3.14Å; I837-Q839 VanDerWaalsContact C-N 3.33Å; I837-Q839 PolarHBondContact O-N 3.27Å; I837-L840 PolarHBondContact O-N 3.48Å; I837-S841 VanDerWaalsContact O-CB 3.31Å; I837-S841 WeakPolarHBondContact O-CB 3.47Å; I837-S841 PolarHBondContact O-N 2.89Å |
| 838 | I | 89.8 | Confident | 86.9 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 20% | 0.2 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 175.1 | -66.3 | 166.3 | 0 | 0 | 0 | 109.7 | F472 L834 F835 S841 C842 F876 | F472-I838 HydrophobicContact CZ-CG2 4.45Å; L834-I838 HydrophobicContact CD1-CD1 4.48Å; L834-I838 HydrophobicContact CG-CD1 4.21Å; L834-I838 WeakPolarHBondContact O-CG1 3Å; L834-I838 PolarHBondContact O-N 3.37Å; F835-I838 PolarHBondContact O-N 3.44Å; I838-S841 PolarHBondContact O-N 3.25Å; I838-C842 PolarHBondContact O-N 3.06Å; I838-C842 PolarHBondContact O-SG 3.19Å; I838-F876 HydrophobicContact CD1-CE2 4.2Å |
| 839 | Q | 89.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 177.5 | -162.5 | 170.9 | -3.9 | 0 | 0 | 112.5 | F472 A476 F804 F835 T836 I837 C842 L843 | F472-Q839 HydrophobicContact CD2-CB 4.27Å; F472-Q839 HydrophobicContact CD2-CG 3.98Å; F472-Q839 HydrophobicContact CE2-CB 3.49Å; F472-Q839 VanDerWaalsContact CE2-CB 3.49Å; F472-Q839 HydrophobicContact CE2-CG 3.57Å; F472-Q839 HydrophobicContact CZ-CB 4.05Å; F472-Q839 HydrophobicContact CZ-CG 4.07Å; F472-Q839 PolarHBondContact O-NE2 3.38Å; A476-Q839 HydrophobicContact CB-CG 4.19Å; F804-Q839 HydrophobicContact CD2-CB 4.07Å; F804-Q839 HydrophobicContact CD2-CG 3.73Å; F804-Q839 HydrophobicContact CE2-CB 3.79Å; F804-Q839 HydrophobicContact CE2-CG 3.76Å; F804-Q839 HydrophobicContact CG-CG 4.46Å; F835-Q839 PolarHBondContact O-N 3.23Å; T836-Q839 PolarHBondContact O-N 3.33Å; I837-Q839 VanDerWaalsContact C-N 3.33Å; I837-Q839 PolarHBondContact O-N 3.27Å; Q839-C842 WeakPolarHBondContact O-CB 3.47Å; Q839-C842 PolarHBondContact O-N 3.4Å; Q839-L843 PolarHBondContact O-N 2.97Å |
| 840 | L | 90.9 | Very high | 87.1 | Confident | 56 Ų | 56 | 53 Ų | 53 | 29% | 0.293 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 178.6 | -179 | 65.1 | 0 | 0 | 0 | 111.6 | F804 L808 T836 I837 C842 L843 I844 | F804-L840 HydrophobicContact CE2-CB 4.43Å; F804-L840 HydrophobicContact CZ-CB 4.19Å; F804-L840 HydrophobicContact CZ-CD1 4.09Å; L808-L840 HydrophobicContact CD1-CD2 4.29Å; T836-L840 VanDerWaalsContact O-CB 3.28Å; T836-L840 WeakPolarHBondContact O-CB 3.43Å; T836-L840 PolarHBondContact O-N 3.22Å; I837-L840 PolarHBondContact O-N 3.48Å; L840-C842 VanDerWaalsContact C-N 3.34Å; L840-C842 PolarHBondContact O-N 3.3Å; L840-L843 PolarHBondContact O-N 3.04Å; L840-I844 HydrophobicContact CD1-CD1 4.4Å; L840-I844 HydrophobicContact CG-CD1 4.04Å; L840-I844 WeakPolarHBondContact O-CG1 3.29Å; L840-I844 PolarHBondContact O-N 3.13Å |
| 841 | S | 90.5 | Very high | 87 | Confident | 75 Ų | 75 | 46.8 Ų | 46.8 | 52% | 0.524 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 175.2 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | I837 I838 L843 I844 L845 | I837-S841 VanDerWaalsContact O-CB 3.31Å; I837-S841 WeakPolarHBondContact O-CB 3.47Å; I837-S841 PolarHBondContact O-N 2.89Å; I838-S841 PolarHBondContact O-N 3.25Å; S841-L843 VanDerWaalsContact C-N 3.33Å; S841-L843 PolarHBondContact O-N 3.11Å; S841-I844 PolarHBondContact O-N 3.4Å; S841-L845 WeakPolarHBondContact O-CB 3.41Å; S841-L845 PolarHBondContact O-N 3.13Å |
| 842 | C | 87.8 | Confident | 86.9 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 174.7 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | I838 Q839 L840 L845 L846 L865 | I838-C842 PolarHBondContact O-N 3.06Å; I838-C842 PolarHBondContact O-SG 3.19Å; Q839-C842 WeakPolarHBondContact O-CB 3.47Å; Q839-C842 PolarHBondContact O-N 3.4Å; L840-C842 VanDerWaalsContact C-N 3.34Å; L840-C842 PolarHBondContact O-N 3.3Å; C842-L845 PolarHBondContact O-N 3.45Å; C842-L846 WeakPolarHBondContact O-CG 3.32Å; C842-L846 PolarHBondContact O-N 2.96Å; C842-L865 HydrophobicContact CB-CD2 3.59Å |
| 843 | L | 88.3 | Confident | 86.4 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 177.3 | -176.7 | 137.2 | 0 | 0 | 0 | 112.3 | S479 L480 I483 F804 Q839 L840 S841 L846 W847 | S479-L843 WeakPolarHBondContact OG-CD1 3.31Å; L480-L843 HydrophobicContact CB-CD1 4.17Å; L480-L843 HydrophobicContact CB-CG 4.48Å; L480-L843 HydrophobicContact CD1-CG 4.4Å; I483-L843 HydrophobicContact CD1-CD1 4.38Å; I483-L843 HydrophobicContact CD1-CD2 3.94Å; F804-L843 HydrophobicContact CE1-CD1 4.09Å; Q839-L843 PolarHBondContact O-N 2.97Å; L840-L843 PolarHBondContact O-N 3.04Å; S841-L843 VanDerWaalsContact C-N 3.33Å; S841-L843 PolarHBondContact O-N 3.11Å; L843-L846 PolarHBondContact O-N 3.48Å; L843-W847 PolarHBondContact O-N 3.08Å |
| 844 | I | 90 | Very high | 85.8 | Confident | 92 Ų | 92 | 57.3 Ų | 57.3 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 174.6 | -69.2 | 166.2 | 0 | 0 | 0 | 110.4 | L840 S841 L846 W847 V848 | L840-I844 HydrophobicContact CD1-CD1 4.4Å; L840-I844 HydrophobicContact CG-CD1 4.04Å; L840-I844 WeakPolarHBondContact O-CG1 3.29Å; L840-I844 PolarHBondContact O-N 3.13Å; S841-I844 PolarHBondContact O-N 3.4Å; I844-L846 VanDerWaalsContact C-N 3.33Å; I844-L846 PolarHBondContact O-N 3.05Å; I844-W847 WeakPolarHBondContact O-CB 3.36Å; I844-W847 PolarHBondContact O-N 3.4Å; I844-W847 VanDerWaalsContact O-N 3.17Å; I844-V848 HydrophobicContact CG2-CG2 4.46Å; I844-V848 WeakPolarHBondContact O-CG2 3.38Å; I844-V848 PolarHBondContact O-N 3.46Å |
| 845 | L | 87.1 | Confident | 85 | Confident | 85 Ų | 85 | 54.5 Ų | 54.5 | 45% | 0.445 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 176.6 | -177.7 | 66.3 | 0 | 0 | 0 | 111.3 | S841 C842 W847 V848 I849 | S841-L845 WeakPolarHBondContact O-CB 3.41Å; S841-L845 PolarHBondContact O-N 3.13Å; C842-L845 PolarHBondContact O-N 3.45Å; L845-W847 VanDerWaalsContact C-N 3.33Å; L845-W847 PolarHBondContact O-N 2.98Å; L845-V848 PolarHBondContact O-N 3.17Å; L845-I849 HydrophobicContact CD1-CD1 4.15Å; L845-I849 HydrophobicContact CG-CD1 4.03Å; L845-I849 WeakPolarHBondContact O-CG1 3.46Å; L845-I849 PolarHBondContact O-N 3.47Å; L845-I849 VanDerWaalsContact O-N 3.08Å |
| 846 | L | 84.3 | Confident | 84.1 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 175.1 | -79.6 | 170.5 | 0 | 0 | 0 | 112.6 | L480 C842 L843 I844 I849 K850 F858 M861 L865 | L480-L846 HydrophobicContact CD1-CB 4.41Å; L480-L846 HydrophobicContact CD2-CB 3.82Å; L480-L846 HydrophobicContact CD2-CD1 4.14Å; L480-L846 HydrophobicContact CD2-CG 4.49Å; C842-L846 WeakPolarHBondContact O-CG 3.32Å; C842-L846 PolarHBondContact O-N 2.96Å; L843-L846 PolarHBondContact O-N 3.48Å; I844-L846 VanDerWaalsContact C-N 3.33Å; I844-L846 PolarHBondContact O-N 3.05Å; L846-I849 PolarHBondContact O-N 3.45Å; L846-K850 WeakPolarHBondContact O-CB 3.49Å; L846-K850 PolarHBondContact O-N 3.43Å; L846-F858 HydrophobicContact CD2-CD2 4.34Å; L846-F858 HydrophobicContact CD2-CE2 4.11Å; L846-M861 HydrophobicContact CD2-CB 3.87Å; L846-M861 HydrophobicContact CD2-CG 3.33Å; L846-M861 HydrophobicContact CG-CG 4.24Å; L846-L865 HydrophobicContact CD1-CD1 3.55Å; L846-L865 HydrophobicContact CD1-CD2 4.23Å; L846-L865 HydrophobicContact CD1-CG 4.15Å |
| 847 | W | 86.6 | Confident | 83.5 | Confident | 60 Ų | 60 | 60.4 Ų | 60.4 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 176.7 | -176 | -89.1 | 0 | 0 | 0 | 112.3 | L480 I483 I484 Y487 L843 I844 L845 I849 K850 T851 | L480-W847 HydrophobicContact CD1-CB 4.32Å; L480-W847 HydrophobicContact CD1-CE3 3.88Å; I483-W847 HydrophobicContact CB-CZ3 4.21Å; I483-W847 HydrophobicContact CG2-CE3 4.14Å; I483-W847 HydrophobicContact CG2-CH2 4.04Å; I483-W847 HydrophobicContact CG2-CZ3 3.55Å; I484-W847 HydrophobicContact CB-CZ3 4.26Å; I484-W847 HydrophobicContact CG1-CE3 4.03Å; I484-W847 HydrophobicContact CG1-CH2 4.25Å; I484-W847 HydrophobicContact CG1-CZ3 3.44Å; I484-W847 VanDerWaalsContact CG1-CZ3 3.44Å; Y487-W847 HydrophobicContact CD1-CH2 4.11Å; Y487-W847 HydrophobicContact CD1-CZ2 4.17Å; Y487-W847 HydrophobicContact CD2-CH2 4.31Å; Y487-W847 HydrophobicContact CD2-CZ2 4.05Å; Y487-W847 AromaticContact CG-CH2 3.75Å; Y487-W847 HydrophobicContact CG-CH2 3.75Å; Y487-W847 AromaticContact CG-CZ2 3.87Å; Y487-W847 HydrophobicContact CG-CZ2 3.87Å; L843-W847 PolarHBondContact O-N 3.08Å; I844-W847 WeakPolarHBondContact O-CB 3.36Å; I844-W847 PolarHBondContact O-N 3.4Å; I844-W847 VanDerWaalsContact O-N 3.17Å; L845-W847 VanDerWaalsContact C-N 3.33Å; L845-W847 PolarHBondContact O-N 2.98Å; W847-I849 VanDerWaalsContact C-N 3.32Å; W847-I849 PolarHBondContact O-N 3.42Å; W847-K850 WeakPolarHBondContact O-CB 3.33Å; W847-K850 PolarHBondContact O-N 3.34Å; W847-T851 PolarHBondContact O-N 3.41Å; W847-T851 VanDerWaalsContact O-N 3.08Å; W847-T851 PolarHBondContact O-OG1 3.34Å |
| 848 | V | 87.6 | Confident | 82.6 | Confident | 83 Ų | 83 | 56.4 Ų | 56.4 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 179.6 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | I844 L845 K850 T851 S852 | I844-V848 HydrophobicContact CG2-CG2 4.46Å; I844-V848 WeakPolarHBondContact O-CG2 3.38Å; I844-V848 PolarHBondContact O-N 3.46Å; L845-V848 PolarHBondContact O-N 3.17Å; V848-K850 VanDerWaalsContact C-N 3.35Å; V848-T851 PolarHBondContact O-N 2.96Å; V848-T851 PolarHBondContact O-OG1 2.88Å; V848-S852 PolarHBondContact O-N 3.44Å |
| 849 | I | 83 | Confident | 81.6 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 178.6 | -67.5 | 169.1 | 0 | 0 | 0 | 110.6 | L845 L846 W847 T851 S852 M861 | L845-I849 HydrophobicContact CD1-CD1 4.15Å; L845-I849 HydrophobicContact CG-CD1 4.03Å; L845-I849 WeakPolarHBondContact O-CG1 3.46Å; L845-I849 PolarHBondContact O-N 3.47Å; L845-I849 VanDerWaalsContact O-N 3.08Å; L846-I849 PolarHBondContact O-N 3.45Å; W847-I849 VanDerWaalsContact C-N 3.32Å; W847-I849 PolarHBondContact O-N 3.42Å; I849-T851 VanDerWaalsContact C-N 3.34Å; I849-T851 PolarHBondContact O-N 2.95Å; I849-S852 WeakPolarHBondContact O-CB 3.42Å; I849-S852 PolarHBondContact O-N 3.08Å; I849-S852 VanDerWaalsContact O-N 3.14Å; I849-S852 PolarHBondContact O-OG 3.2Å; I849-M861 HydrophobicContact CD1-CE 3.41Å; I849-M861 VanDerWaalsContact CD1-CE 3.41Å; I849-M861 HydrophobicContact CD1-CG 4.32Å; I849-M861 HydrophobicContact CD1-SD 4.46Å |
| 850 | K | 78.6 | Confident | 81.1 | Confident | 67 Ų | 67 | 59.7 Ų | 59.7 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 176.8 | -176.3 | -167.1 | 173.7 | -141.6 | 0 | 112.3 | I484 L846 W847 V848 S852 | I484-K850 HydrophobicContact CD1-CD 3.34Å; I484-K850 VanDerWaalsContact CD1-CE 3.48Å; I484-K850 VanDerWaalsContact CD1-NZ 3.34Å; I484-K850 HydrophobicContact CG1-CD 3.86Å; L846-K850 WeakPolarHBondContact O-CB 3.49Å; L846-K850 PolarHBondContact O-N 3.43Å; W847-K850 WeakPolarHBondContact O-CB 3.33Å; W847-K850 PolarHBondContact O-N 3.34Å; V848-K850 VanDerWaalsContact C-N 3.35Å; K850-S852 PolarHBondContact O-N 3.01Å |
| 851 | T | 78.9 | Confident | 80.4 | Confident | 96 Ų | 96 | 59.2 Ų | 59.2 | 59% | 0.589 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -72.2 | -18.9 | 179 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | W847 V848 I849 | W847-T851 PolarHBondContact O-N 3.41Å; W847-T851 VanDerWaalsContact O-N 3.08Å; W847-T851 PolarHBondContact O-OG1 3.34Å; V848-T851 PolarHBondContact O-N 2.96Å; V848-T851 PolarHBondContact O-OG1 2.88Å; I849-T851 VanDerWaalsContact C-N 3.34Å; I849-T851 PolarHBondContact O-N 2.95Å |
| 852 | S | 82 | Confident | 79.6 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -79.6 | 165.2 | 177.7 | 85.3 | 0 | 0 | 0 | 0 | 113.3 | V848 I849 K850 A854 A855 | V848-S852 PolarHBondContact O-N 3.44Å; I849-S852 WeakPolarHBondContact O-CB 3.42Å; I849-S852 PolarHBondContact O-N 3.08Å; I849-S852 VanDerWaalsContact O-N 3.14Å; I849-S852 PolarHBondContact O-OG 3.2Å; K850-S852 PolarHBondContact O-N 3.01Å; S852-A854 PolarHBondContact O-N 3.17Å; S852-A854 VanDerWaalsContact O-N 3.11Å; S852-A854 WeakPolarHBondContact OG-CB 3.3Å; S852-A854 PolarHBondContact OG-N 3.04Å; S852-A854 VanDerWaalsContact OG-N 3.1Å; S852-A855 PolarHBondContact O-N 3.4Å |
| 853 | R | 73.8 | Confident | 79.1 | Confident | 237 Ų | 237 | 59.1 Ų | 59.1 | 89% | 0.894 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -64.3 | -11.8 | 171.2 | -64.3 | -176.8 | -177.6 | 171.5 | 2.3 | 113.4 | A855 | R853-A855 PolarHBondContact O-N 3.46Š|
| 854 | A | 75.1 | Confident | 78.8 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 41% | 0.405 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -83.8 | 8.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S852 I856 V857 | S852-A854 PolarHBondContact O-N 3.17Å; S852-A854 VanDerWaalsContact O-N 3.11Å; S852-A854 WeakPolarHBondContact OG-CB 3.3Å; S852-A854 PolarHBondContact OG-N 3.04Å; S852-A854 VanDerWaalsContact OG-N 3.1Å; A854-I856 PolarHBondContact O-N 2.84Å; A854-V857 PolarHBondContact O-N 3.48Å |
| 855 | A | 70.3 | Confident | 78.2 | Confident | 14 Ų | 14 | 56 Ų | 56 | 12% | 0.116 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -53 | -20 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V423 S852 R853 V857 F858 | V423-A855 HydrophobicContact CG1-CB 4.32Å; S852-A855 PolarHBondContact O-N 3.4Å; R853-A855 PolarHBondContact O-N 3.46Å; A855-V857 PolarHBondContact O-N 3.49Å; A855-F858 WeakPolarHBondContact O-CB 3.45Å; A855-F858 PolarHBondContact O-N 3.05Å; A855-F858 VanDerWaalsContact O-N 3.16Å |
| 856 | I | 71.1 | Confident | 77.7 | Confident | 49 Ų | 49 | 53.6 Ų | 53.6 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -62 | -31 | 174.1 | -54.2 | 168.9 | 0 | 0 | 0 | 111.9 | I427 L672 A854 F858 P859 | I427-I856 HydrophobicContact CD1-CD1 3.28Å; I427-I856 HydrophobicContact CD1-CG1 3.48Å; I427-I856 VanDerWaalsContact CD1-CG1 3.48Å; I427-I856 HydrophobicContact CG1-CD1 4.47Å; I427-I856 HydrophobicContact CG2-CD1 4.16Å; L672-I856 HydrophobicContact CD1-CG2 3.47Å; L672-I856 VanDerWaalsContact CD1-CG2 3.47Å; L672-I856 HydrophobicContact CD2-CG2 3.31Å; L672-I856 HydrophobicContact CG-CG2 4.03Å; A854-I856 PolarHBondContact O-N 2.84Å; I856-F858 PolarHBondContact O-N 2.89Å; I856-P859 WeakPolarHBondContact O-CD 3.47Å |
| 857 | V | 76.9 | Confident | 77.6 | Confident | 75 Ų | 75 | 60 Ų | 60 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -81.8 | 0.6 | -179.4 | -169.9 | 0 | 0 | 0 | 0 | 111.6 | A854 A855 P859 M860 M861 | A854-V857 PolarHBondContact O-N 3.48Å; A855-V857 PolarHBondContact O-N 3.49Å; V857-P859 VanDerWaalsContact C-CD 3.47Å; V857-M860 HydrophobicContact CG1-CB 3.93Å; V857-M860 HydrophobicContact CG1-CG 4.48Å; V857-M860 WeakPolarHBondContact O-CB 3.48Å; V857-M860 PolarHBondContact O-N 3.42Å; V857-M861 PolarHBondContact O-N 2.84Å |
| 858 | F | 71.3 | Confident | 77.4 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -49.6 | -44.8 | -176.4 | 178.7 | -103.1 | 0 | 0 | 0 | 114.5 | P420 F477 L480 L846 A855 I856 M860 M861 V862 | P420-F858 HydrophobicContact CG-CD1 4.37Å; P420-F858 HydrophobicContact CG-CE1 4.48Å; F477-F858 HydrophobicContact CD2-CZ 4.41Å; F477-F858 AromaticContact CE2-CE1 3.79Å; F477-F858 HydrophobicContact CE2-CE1 3.79Å; F477-F858 AromaticContact CE2-CZ 3.83Å; F477-F858 HydrophobicContact CE2-CZ 3.83Å; L480-F858 HydrophobicContact CD2-CE2 3.7Å; L480-F858 HydrophobicContact CD2-CZ 3.83Å; L846-F858 HydrophobicContact CD2-CD2 4.34Å; L846-F858 HydrophobicContact CD2-CE2 4.11Å; A855-F858 WeakPolarHBondContact O-CB 3.45Å; A855-F858 PolarHBondContact O-N 3.05Å; A855-F858 VanDerWaalsContact O-N 3.16Å; I856-F858 PolarHBondContact O-N 2.89Å; F858-M860 PolarHBondContact O-N 3.13Å; F858-M861 WeakPolarHBondContact O-CB 3.35Å; F858-M861 PolarHBondContact O-N 3.47Å; F858-M861 VanDerWaalsContact O-N 3.15Å; F858-V862 PolarHBondContact O-N 2.73Å |
| 859 | P | 70.4 | Confident | 77.2 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.032 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -36.4 | 178.3 | -22.2 | 34.9 | 0 | 0 | 0 | 114.1 | I675 L676 M679 I856 V857 M861 V862 L863 | I675-P859 HydrophobicContact CG2-CB 3.86Å; L676-P859 HydrophobicContact CB-CG 3.61Å; L676-P859 HydrophobicContact CD1-CG 4.04Å; L676-P859 HydrophobicContact CG-CG 3.75Å; M679-P859 HydrophobicContact CB-CB 4.42Å; M679-P859 HydrophobicContact CG-CB 4.15Å; I856-P859 WeakPolarHBondContact O-CD 3.47Å; V857-P859 VanDerWaalsContact C-CD 3.47Å; P859-M861 PolarHBondContact O-N 3.16Å; P859-V862 PolarHBondContact O-N 3.23Å; P859-L863 PolarHBondContact O-N 2.82Å |
| 860 | M | 78.2 | Confident | 77 | Confident | 104 Ų | 104 | 62 Ų | 62 | 51% | 0.512 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.1 | -29.3 | 175.8 | -67.9 | -64.2 | -65.9 | 0 | 0 | 111.5 | I675 V857 F858 L863 A864 | I675-M860 HydrophobicContact CD1-SD 4.2Å; I675-M860 HydrophobicContact CG2-SD 4.48Å; V857-M860 HydrophobicContact CG1-CB 3.93Å; V857-M860 HydrophobicContact CG1-CG 4.48Å; V857-M860 WeakPolarHBondContact O-CB 3.48Å; V857-M860 PolarHBondContact O-N 3.42Å; F858-M860 PolarHBondContact O-N 3.13Å; M860-L863 WeakPolarHBondContact O-CB 3.41Å; M860-L863 PolarHBondContact O-N 3.15Å; M860-L863 HydrophobicContact SD-CD1 4.18Å; M860-A864 PolarHBondContact O-N 3.04Å |
| 861 | M | 75.8 | Confident | 77.1 | Confident | 45 Ų | 45 | 63 Ų | 63 | 22% | 0.222 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -73.6 | -34.4 | 176 | -171.2 | 56 | 72.1 | 0 | 0 | 112.3 | L846 I849 V857 F858 P859 L863 A864 L865 | L846-M861 HydrophobicContact CD2-CB 3.87Å; L846-M861 HydrophobicContact CD2-CG 3.33Å; L846-M861 HydrophobicContact CG-CG 4.24Å; I849-M861 HydrophobicContact CD1-CE 3.41Å; I849-M861 VanDerWaalsContact CD1-CE 3.41Å; I849-M861 HydrophobicContact CD1-CG 4.32Å; I849-M861 HydrophobicContact CD1-SD 4.46Å; V857-M861 PolarHBondContact O-N 2.84Å; F858-M861 WeakPolarHBondContact O-CB 3.35Å; F858-M861 PolarHBondContact O-N 3.47Å; F858-M861 VanDerWaalsContact O-N 3.15Å; P859-M861 PolarHBondContact O-N 3.16Å; M861-L863 VanDerWaalsContact C-N 3.29Å; M861-L863 PolarHBondContact O-N 3.37Å; M861-A864 CarbonylContact O-C 3.54Å; M861-A864 WeakPolarHBondContact O-CA 3.36Å; M861-A864 VanDerWaalsContact O-CB 3.29Å; M861-A864 WeakPolarHBondContact O-CB 3.42Å; M861-A864 PolarHBondContact O-N 3.43Å; M861-A864 HydrophobicContact SD-CB 3.86Å; M861-L865 PolarHBondContact O-N 3.49Å |
| 862 | V | 74.4 | Confident | 77.1 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 173.1 | -177 | 0 | 0 | 0 | 0 | 110.6 | F477 M679 I683 F858 P859 A864 L865 V866 | F477-V862 HydrophobicContact CD2-CG2 4.07Å; F477-V862 HydrophobicContact CE2-CG2 4.23Å; M679-V862 HydrophobicContact CE-CB 3.74Å; M679-V862 HydrophobicContact CE-CG1 3.57Å; I683-V862 HydrophobicContact CD1-CG1 3.74Å; F858-V862 PolarHBondContact O-N 2.73Å; P859-V862 PolarHBondContact O-N 3.23Å; V862-A864 VanDerWaalsContact C-N 3.29Å; V862-A864 PolarHBondContact O-N 3.44Å; V862-L865 VanDerWaalsContact O-CB 3.32Å; V862-L865 WeakPolarHBondContact O-CB 3.33Å; V862-L865 PolarHBondContact O-N 3.32Å; V862-L865 VanDerWaalsContact O-N 3.13Å; V862-V866 PolarHBondContact O-N 3.46Å |
| 863 | L | 77 | Confident | 76.9 | Confident | 78 Ų | 78 | 59.4 Ų | 59.4 | 41% | 0.408 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 169.1 | -70.5 | 171.6 | 0 | 0 | 0 | 112.1 | M679 P859 M860 M861 L865 V866 F867 | M679-L863 HydrophobicContact CE-CD2 3.76Å; M679-L863 HydrophobicContact CE-CG 3.78Å; M679-L863 HydrophobicContact SD-CD2 3.86Å; M679-L863 HydrophobicContact SD-CG 4.09Å; P859-L863 PolarHBondContact O-N 2.82Å; M860-L863 WeakPolarHBondContact O-CB 3.41Å; M860-L863 PolarHBondContact O-N 3.15Å; M860-L863 HydrophobicContact SD-CD1 4.18Å; M861-L863 VanDerWaalsContact C-N 3.29Å; M861-L863 PolarHBondContact O-N 3.37Å; L863-L865 VanDerWaalsContact C-N 3.27Å; L863-L865 PolarHBondContact O-N 2.98Å; L863-V866 WeakPolarHBondContact O-CB 3.41Å; L863-V866 PolarHBondContact O-N 2.83Å; L863-V866 VanDerWaalsContact O-N 3.12Å; L863-F867 PolarHBondContact O-N 3.31Å |
| 864 | A | 81.4 | Confident | 77.1 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 30% | 0.298 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.8 | -30.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | M860 M861 V862 V866 F867 I868 | M860-A864 PolarHBondContact O-N 3.04Å; M861-A864 CarbonylContact O-C 3.54Å; M861-A864 WeakPolarHBondContact O-CA 3.36Å; M861-A864 VanDerWaalsContact O-CB 3.29Å; M861-A864 WeakPolarHBondContact O-CB 3.42Å; M861-A864 PolarHBondContact O-N 3.43Å; M861-A864 HydrophobicContact SD-CB 3.86Å; V862-A864 VanDerWaalsContact C-N 3.29Å; V862-A864 PolarHBondContact O-N 3.44Å; A864-V866 VanDerWaalsContact C-N 3.3Å; A864-V866 PolarHBondContact O-N 3.21Å; A864-F867 WeakPolarHBondContact O-CB 3.49Å; A864-F867 PolarHBondContact O-N 2.88Å; A864-F867 VanDerWaalsContact O-N 3.14Å; A864-I868 WeakPolarHBondContact O-CG1 3.35Å; A864-I868 PolarHBondContact O-N 2.98Å |
| 865 | L | 78.1 | Confident | 77.3 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 171.8 | -67 | -177.2 | 0 | 0 | 0 | 112.5 | T473 A476 C842 L846 M861 V862 L863 F867 I868 R869 | T473-L865 HydrophobicContact CG2-CB 3.94Å; A476-L865 HydrophobicContact CB-CD1 4.4Å; C842-L865 HydrophobicContact CB-CD2 3.59Å; L846-L865 HydrophobicContact CD1-CD1 3.55Å; L846-L865 HydrophobicContact CD1-CD2 4.23Å; L846-L865 HydrophobicContact CD1-CG 4.15Å; M861-L865 PolarHBondContact O-N 3.49Å; V862-L865 VanDerWaalsContact O-CB 3.32Å; V862-L865 WeakPolarHBondContact O-CB 3.33Å; V862-L865 PolarHBondContact O-N 3.32Å; V862-L865 VanDerWaalsContact O-N 3.13Å; L863-L865 VanDerWaalsContact C-N 3.27Å; L863-L865 PolarHBondContact O-N 2.98Å; L865-F867 VanDerWaalsContact C-N 3.26Å; L865-F867 PolarHBondContact O-N 2.85Å; L865-I868 HydrophobicContact CD2-CD1 4.35Å; L865-I868 PolarHBondContact O-N 3.25Å; L865-R869 VanDerWaalsContact O-CB 3.31Å; L865-R869 WeakPolarHBondContact O-CB 3.29Å; L865-R869 PolarHBondContact O-N 3.35Å |
| 866 | V | 76.8 | Confident | 77.7 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 20% | 0.2 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 174.8 | -180 | 0 | 0 | 0 | 0 | 110 | Y468 T473 V862 L863 A864 R869 K870 | Y468-V866 WeakPolarHBondContact O-CG1 2.98Å; T473-V866 HydrophobicContact CG2-CG2 4.05Å; V862-V866 PolarHBondContact O-N 3.46Å; L863-V866 WeakPolarHBondContact O-CB 3.41Å; L863-V866 PolarHBondContact O-N 2.83Å; L863-V866 VanDerWaalsContact O-N 3.12Å; A864-V866 VanDerWaalsContact C-N 3.3Å; A864-V866 PolarHBondContact O-N 3.21Å; V866-R869 WeakPolarHBondContact O-CB 3.12Å; V866-R869 PolarHBondContact O-N 2.95Å; V866-K870 PolarHBondContact O-N 2.86Å |
| 867 | F | 82 | Confident | 78 | Confident | 137 Ų | 137 | 56.8 Ų | 56.8 | 60% | 0.601 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.5 | -43.4 | 174.7 | -171.4 | -102.2 | 0 | 0 | 0 | 112.5 | L863 A864 L865 R869 K870 L871 | L863-F867 PolarHBondContact O-N 3.31Å; A864-F867 WeakPolarHBondContact O-CB 3.49Å; A864-F867 PolarHBondContact O-N 2.88Å; A864-F867 VanDerWaalsContact O-N 3.14Å; L865-F867 VanDerWaalsContact C-N 3.26Å; L865-F867 PolarHBondContact O-N 2.85Å; F867-R869 PolarHBondContact O-N 3.37Å; F867-K870 WeakPolarHBondContact O-CA 3.2Å; F867-K870 WeakPolarHBondContact O-CB 3.45Å; F867-K870 PolarHBondContact O-N 3.4Å; F867-L871 HydrophobicContact CD1-CD1 3.78Å; F867-L871 HydrophobicContact CD1-CG 4.15Å; F867-L871 HydrophobicContact CE1-CD1 3.54Å; F867-L871 HydrophobicContact CE1-CD2 4.2Å; F867-L871 HydrophobicContact CE1-CG 3.86Å; F867-L871 HydrophobicContact CZ-CD1 4.44Å; F867-L871 HydrophobicContact CZ-CD2 4.33Å; F867-L871 HydrophobicContact CZ-CG 4.33Å; F867-L871 PolarHBondContact O-N 3.29Å |
| 868 | I | 83.1 | Confident | 77.6 | Confident | 50 Ų | 50 | 62.2 Ų | 62.2 | 26% | 0.256 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 173.3 | -68.7 | 166.7 | 0 | 0 | 0 | 110.1 | A864 L865 K870 L871 M872 | A864-I868 WeakPolarHBondContact O-CG1 3.35Å; A864-I868 PolarHBondContact O-N 2.98Å; L865-I868 HydrophobicContact CD2-CD1 4.35Å; L865-I868 PolarHBondContact O-N 3.25Å; I868-K870 VanDerWaalsContact C-N 3.31Å; I868-K870 PolarHBondContact O-N 3.46Å; I868-L871 WeakPolarHBondContact O-CB 3.41Å; I868-L871 PolarHBondContact O-N 3.4Å; I868-M872 PolarHBondContact O-N 3.33Å |
| 869 | R | 82.4 | Confident | 77.5 | Confident | 26 Ų | 26 | 67.4 Ų | 67.4 | 10% | 0.098 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 174.7 | 176.8 | 58.4 | -173.6 | 76.3 | 3 | 112 | T470 F472 T473 L865 V866 F867 M872 D873 D885 | T470-R869 HydrophobicContact CG2-CG 4.24Å; T470-R869 WeakPolarHBondContact OG1-CG 3.4Å; F472-R869 HydrophobicContact CD1-CB 4.07Å; F472-R869 HydrophobicContact CD1-CG 4.42Å; T473-R869 HydrophobicContact CG2-CB 4.34Å; L865-R869 VanDerWaalsContact O-CB 3.31Å; L865-R869 WeakPolarHBondContact O-CB 3.29Å; L865-R869 PolarHBondContact O-N 3.35Å; V866-R869 WeakPolarHBondContact O-CB 3.12Å; V866-R869 PolarHBondContact O-N 2.95Å; F867-R869 PolarHBondContact O-N 3.37Å; R869-M872 VanDerWaalsContact O-CB 3.3Å; R869-M872 WeakPolarHBondContact O-CB 3.41Å; R869-M872 PolarHBondContact O-N 3.26Å; R869-D873 IonicContact NH1-OD1 2.97Å; R869-D873 PolarHBondContact NH1-OD1 3.34Å; R869-D885 IonicContact CZ-OD2 3.74Å; R869-D885 IonicContact NE-OD2 3.35Å; R869-D885 PolarHBondContact NE-OD2 3.37Å; R869-D885 IonicContact NH2-OD2 3.02Å; R869-D885 PolarHBondContact NH2-OD2 3.02Å |
| 870 | K | 78.3 | Confident | 77.7 | Confident | 137 Ų | 137 | 68.7 Ų | 68.7 | 60% | 0.596 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.5 | -37.1 | 175.6 | -166 | 67.1 | -173.2 | 154.3 | 0 | 112.5 | V866 F867 I868 M872 D873 | V866-K870 PolarHBondContact O-N 2.86Å; F867-K870 WeakPolarHBondContact O-CA 3.2Å; F867-K870 WeakPolarHBondContact O-CB 3.45Å; F867-K870 PolarHBondContact O-N 3.4Å; I868-K870 VanDerWaalsContact C-N 3.31Å; I868-K870 PolarHBondContact O-N 3.46Å; K870-M872 PolarHBondContact O-N 2.92Å; K870-D873 WeakPolarHBondContact CE-OD2 3.47Å; K870-D873 IonicContact NZ-OD2 2.96Å; K870-D873 PolarHBondContact NZ-OD2 2.88Å; K870-D873 WeakPolarHBondContact O-CB 3.48Å; K870-D873 PolarHBondContact O-N 3.32Å |
| 871 | L | 81.6 | Confident | 77.4 | Confident | 90 Ų | 90 | 64 Ų | 64 | 47% | 0.471 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64 | -25.9 | 173.1 | -72.9 | 173.3 | 0 | 0 | 0 | 112.7 | F867 I868 D873 C874 | F867-L871 HydrophobicContact CD1-CD1 3.78Å; F867-L871 HydrophobicContact CD1-CG 4.15Å; F867-L871 HydrophobicContact CE1-CD1 3.54Å; F867-L871 HydrophobicContact CE1-CD2 4.2Å; F867-L871 HydrophobicContact CE1-CG 3.86Å; F867-L871 HydrophobicContact CZ-CD1 4.44Å; F867-L871 HydrophobicContact CZ-CD2 4.33Å; F867-L871 HydrophobicContact CZ-CG 4.33Å; F867-L871 PolarHBondContact O-N 3.29Å; I868-L871 WeakPolarHBondContact O-CB 3.41Å; I868-L871 PolarHBondContact O-N 3.4Å; L871-D873 PolarHBondContact O-N 3.13Å; L871-C874 WeakPolarHBondContact O-CB 3.33Å; L871-C874 PolarHBondContact O-N 3.3Å; L871-C874 VanDerWaalsContact O-N 3.13Å |
| 872 | M | 79.4 | Confident | 77.1 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -67.7 | -19.2 | 177.7 | -165.8 | 163.8 | 46.8 | 0 | 0 | 113 | F472 F835 I868 R869 K870 C874 I875 F876 L881 | F472-M872 HydrophobicContact CD2-CE 4.17Å; F472-M872 HydrophobicContact CE2-CE 4.21Å; F472-M872 HydrophobicContact CG-CE 4.43Å; F835-M872 HydrophobicContact CD2-CE 3.92Å; F835-M872 HydrophobicContact CD2-SD 3.63Å; F835-M872 HydrophobicContact CE2-CE 3.4Å; F835-M872 HydrophobicContact CE2-SD 3.79Å; F835-M872 HydrophobicContact CZ-CE 4.18Å; I868-M872 PolarHBondContact O-N 3.33Å; R869-M872 VanDerWaalsContact O-CB 3.3Å; R869-M872 WeakPolarHBondContact O-CB 3.41Å; R869-M872 PolarHBondContact O-N 3.26Å; K870-M872 PolarHBondContact O-N 2.92Å; M872-C874 PolarHBondContact O-N 3.05Å; M872-C874 VanDerWaalsContact O-N 3.11Å; M872-I875 PolarHBondContact O-N 3.43Å; M872-F876 HydrophobicContact CG-CD2 3.33Å; M872-F876 HydrophobicContact CG-CE2 3.62Å; M872-F876 HydrophobicContact CG-CG 4.42Å; M872-F876 PolarHBondContact O-N 2.64Å; M872-F876 HydrophobicContact SD-CD2 3.99Å; M872-F876 HydrophobicContact SD-CE2 3.78Å; M872-L881 HydrophobicContact CE-CD1 3.93Å; M872-L881 HydrophobicContact CG-CD1 4.22Å; M872-L881 HydrophobicContact SD-CD1 4.34Å |
| 873 | D | 76.9 | Confident | 76.9 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 32% | 0.321 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -61.2 | -16 | 171.2 | -64.2 | -8.5 | 0 | 0 | 0 | 112.1 | R869 K870 L871 L881 | R869-D873 IonicContact NH1-OD1 2.97Å; R869-D873 PolarHBondContact NH1-OD1 3.34Å; K870-D873 WeakPolarHBondContact CE-OD2 3.47Å; K870-D873 IonicContact NZ-OD2 2.96Å; K870-D873 PolarHBondContact NZ-OD2 2.88Å; K870-D873 WeakPolarHBondContact O-CB 3.48Å; K870-D873 PolarHBondContact O-N 3.32Å; L871-D873 PolarHBondContact O-N 3.13Å; D873-L881 WeakPolarHBondContact OD1-CD2 3.18Å |
| 874 | C | 78.3 | Confident | 76.8 | Confident | 113 Ų | 113 | 61.5 Ų | 61.5 | 76% | 0.764 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -84 | -21.7 | 174.8 | -61.4 | 0 | 0 | 0 | 0 | 113.9 | L871 M872 | L871-C874 WeakPolarHBondContact O-CB 3.33Å; L871-C874 PolarHBondContact O-N 3.3Å; L871-C874 VanDerWaalsContact O-N 3.13Å; M872-C874 PolarHBondContact O-N 3.05Å; M872-C874 VanDerWaalsContact O-N 3.11Å |
| 875 | I | 79.3 | Confident | 76.2 | Confident | 93 Ų | 93 | 60 Ų | 60 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -29.5 | -172.4 | -60.2 | 174.4 | 0 | 0 | 0 | 111.7 | K831 L834 M872 | K831-I875 PolarHBondContact NZ-O 2.94Å; L834-I875 HydrophobicContact CD2-CG2 4.24Å; M872-I875 PolarHBondContact O-N 3.43Å |
| 876 | F | 79.4 | Confident | 75.2 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 4% | 0.035 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -118 | 148.1 | -176.8 | -66 | -93.6 | 0 | 0 | 0 | 110.6 | K831 L834 F835 I838 M872 E880 L881 | K831-F876 HydrophobicContact CB-CE1 4.08Å; K831-F876 HydrophobicContact CD-CD1 4.16Å; K831-F876 HydrophobicContact CD-CE1 3.87Å; L834-F876 HydrophobicContact CB-CZ 4.36Å; L834-F876 HydrophobicContact CD2-CZ 4.01Å; L834-F876 HydrophobicContact CG-CZ 4.14Å; F835-F876 HydrophobicContact CB-CE1 4.34Å; F835-F876 HydrophobicContact CB-CZ 4.01Å; I838-F876 HydrophobicContact CD1-CE2 4.2Å; M872-F876 HydrophobicContact CG-CD2 3.33Å; M872-F876 HydrophobicContact CG-CE2 3.62Å; M872-F876 HydrophobicContact CG-CG 4.42Å; M872-F876 PolarHBondContact O-N 2.64Å; M872-F876 HydrophobicContact SD-CD2 3.99Å; M872-F876 HydrophobicContact SD-CE2 3.78Å; F876-E880 WeakPolarHBondContact CD1-OE2 3.41Å; F876-L881 HydrophobicContact CB-CB 4.47Å; F876-L881 HydrophobicContact CB-CD1 3.99Å; F876-L881 HydrophobicContact CD2-CD1 4.49Å; F876-L881 HydrophobicContact CG-CD1 4.26Å |
| 877 | T | 76.1 | Confident | 73.9 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | trans | -70.4 | 150.4 | 172 | 62.3 | 0 | 0 | 0 | 0 | 109.6 | R879 E880 L881 | T877-R879 PolarHBondContact O-N 2.92Å; T877-E880 PolarHBondContact O-N 3.39Å; T877-E880 VanDerWaalsContact OG1-CG 3.31Å; T877-E880 WeakPolarHBondContact OG1-CG 3.2Å; T877-E880 PolarHBondContact OG1-N 3.07Å; T877-L881 WeakPolarHBondContact O-CB 3.43Å; T877-L881 PolarHBondContact O-N 3.44Å; T877-L881 VanDerWaalsContact O-N 3.15Å | ||
| 878 | K | 69.9 | Low | 71.5 | Confident | 190 Ų | 190 | 61.6 Ų | 61.6 | 83% | 0.826 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -53.2 | -30.3 | 177.6 | -70.4 | -177.4 | 180 | 176.7 | 0 | 112.3 | S882 | K878-S882 PolarHBondContact O-N 3.1Å |
| 879 | R | 69.1 | Low | 69.4 | Low | 115 Ų | 115 | 62 Ų | 62 | 43% | 0.434 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -73.3 | -53.5 | 177.6 | -172.6 | 172.9 | 169.6 | -139.2 | -7.6 | 112.9 | T877 L881 S882 W883 E900 | T877-R879 PolarHBondContact O-N 2.92Å; R879-L881 PolarHBondContact O-N 3.23Å; R879-L881 VanDerWaalsContact O-N 3.08Å; R879-S882 PolarHBondContact O-N 3.11Å; R879-S882 VanDerWaalsContact O-N 3.13Å; R879-S882 PolarHBondContact O-OG 2.65Å; R879-W883 PolarHBondContact O-N 3.14Å; R879-E900 IonicContact CZ-OE1 3.8Å; R879-E900 IonicContact CZ-OE2 3.94Å; R879-E900 IonicContact NE-OE1 3.09Å; R879-E900 IonicContact NE-OE2 3.31Å; R879-E900 PolarHBondContact NE-OE2 3.21Å; R879-E900 VanDerWaalsContact NE-OE2 3.1Å; R879-E900 IonicContact NH1-OE1 3.47Å; R879-E900 PolarHBondContact NH1-OE1 3.28Å; R879-E900 IonicContact NH1-OE2 2.73Å; R879-E900 IonicContact NH2-OE1 3.92Å; R879-E900 PolarHBondContact NH2-OE1 3.36Å; R879-E900 IonicContact NH2-OE2 2.83Å; R879-E900 PolarHBondContact NH2-OE2 2.9Å |
| 880 | E | 74.1 | Confident | 67.1 | Low | 33 Ų | 33 | 68.6 Ų | 68.6 | 15% | 0.154 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -53.3 | -36.6 | 176.3 | -74.2 | 176.4 | 163.3 | 0 | 0 | 111.6 | V827 K831 F876 T877 W883 L884 | V827-E880 HydrophobicContact CG1-CG 4.42Å; V827-E880 HydrophobicContact CG2-CB 4.42Å; K831-E880 IonicContact NZ-OE2 3.71Å; F876-E880 WeakPolarHBondContact CD1-OE2 3.41Å; T877-E880 PolarHBondContact O-N 3.39Å; T877-E880 VanDerWaalsContact OG1-CG 3.31Å; T877-E880 WeakPolarHBondContact OG1-CG 3.2Å; T877-E880 PolarHBondContact OG1-N 3.07Å; E880-W883 PolarHBondContact O-N 3.44Å; E880-L884 WeakPolarHBondContact O-CG 3.44Å; E880-L884 PolarHBondContact O-N 3.14Å |
| 881 | L | 72.4 | Confident | 65 | Low | 6 Ų | 6 | 66.1 Ų | 66.1 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -77.9 | -33.1 | -175.8 | -153.8 | 69 | 0 | 0 | 0 | 113 | F835 M872 D873 F876 T877 R879 W883 L884 D885 | F835-L881 HydrophobicContact CD2-CD1 4.41Å; F835-L881 HydrophobicContact CE2-CD1 4.07Å; M872-L881 HydrophobicContact CE-CD1 3.93Å; M872-L881 HydrophobicContact CG-CD1 4.22Å; M872-L881 HydrophobicContact SD-CD1 4.34Å; D873-L881 WeakPolarHBondContact OD1-CD2 3.18Å; F876-L881 HydrophobicContact CB-CB 4.47Å; F876-L881 HydrophobicContact CB-CD1 3.99Å; F876-L881 HydrophobicContact CD2-CD1 4.49Å; F876-L881 HydrophobicContact CG-CD1 4.26Å; T877-L881 WeakPolarHBondContact O-CB 3.43Å; T877-L881 PolarHBondContact O-N 3.44Å; T877-L881 VanDerWaalsContact O-N 3.15Å; R879-L881 PolarHBondContact O-N 3.23Å; R879-L881 VanDerWaalsContact O-N 3.08Å; L881-W883 VanDerWaalsContact C-N 3.29Å; L881-W883 PolarHBondContact O-N 2.84Å; L881-L884 PolarHBondContact O-N 3.02Å; L881-D885 WeakPolarHBondContact O-CB 3.11Å; L881-D885 PolarHBondContact O-N 3.28Å |
| 882 | S | 68.9 | Low | 62.9 | Low | 31 Ų | 31 | 67.8 Ų | 67.8 | 22% | 0.217 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 171.3 | 69.1 | 0 | 0 | 0 | 0 | 111 | K878 R879 L884 D886 | K878-S882 PolarHBondContact O-N 3.1Å; R879-S882 PolarHBondContact O-N 3.11Å; R879-S882 VanDerWaalsContact O-N 3.13Å; R879-S882 PolarHBondContact O-OG 2.65Å; S882-L884 VanDerWaalsContact C-N 3.35Å; S882-L884 PolarHBondContact O-N 3.04Å; S882-D886 CarbonylContact O-C 3.48Å; S882-D886 VanDerWaalsContact O-CA 3.3Å; S882-D886 WeakPolarHBondContact O-CA 3.41Å; S882-D886 WeakPolarHBondContact O-CB 3.44Å; S882-D886 PolarHBondContact O-N 3.28Å |
| 883 | W | 70.7 | Confident | 61.3 | Low | 43 Ų | 43 | 69.5 Ų | 69.5 | 16% | 0.163 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.4 | -29.7 | 176.1 | -73.1 | 104.9 | 0 | 0 | 0 | 114.5 | V822 H826 V827 R879 E880 L881 K893 E897 | V822-W883 HydrophobicContact CG1-CZ3 4.2Å; H826-W883 HydrophobicContact CB-CD2 3.99Å; H826-W883 HydrophobicContact CB-CE3 4.38Å; H826-W883 HydrophobicContact CB-CG 4.26Å; H826-W883 HydrophobicContact CB-CH2 4.47Å; H826-W883 HydrophobicContact CB-CZ2 4.18Å; H826-W883 AromaticContact CD2-CE3 3.89Å; H826-W883 AromaticContact CD2-CH2 3.11Å; H826-W883 WeakPolarHBondContact CD2-CH2 3.32Å; H826-W883 AromaticContact CD2-CZ2 3.59Å; H826-W883 AromaticContact CD2-CZ3 3.26Å; H826-W883 WeakPolarHBondContact CD2-CZ3 3.26Å; H826-W883 AromaticContact CE1-CH2 3.73Å; H826-W883 AromaticContact CE1-CZ2 3.86Å; H826-W883 AromaticContact CG-CE2 3.78Å; H826-W883 AromaticContact CG-CH2 3.63Å; H826-W883 AromaticContact CG-CZ2 3.57Å; H826-W883 AromaticContact CG-CZ3 3.97Å; H826-W883 AromaticContact ND1-CH2 3.98Å; H826-W883 AromaticContact ND1-CZ2 3.76Å; H826-W883 AromaticContact NE2-CH2 3.23Å; H826-W883 WeakPolarHBondContact NE2-CH2 3.34Å; H826-W883 AromaticContact NE2-CZ2 3.81Å; H826-W883 AromaticContact NE2-CZ3 3.76Å; V827-W883 HydrophobicContact CG2-CB 3.83Å; V827-W883 HydrophobicContact CG2-CG 4.39Å; R879-W883 PolarHBondContact O-N 3.14Å; E880-W883 PolarHBondContact O-N 3.44Å; L881-W883 VanDerWaalsContact C-N 3.29Å; L881-W883 PolarHBondContact O-N 2.84Å; W883-K893 HydrophobicContact CH2-CD 4.15Å; W883-K893 HydrophobicContact CH2-CG 3.96Å; W883-K893 HydrophobicContact CZ3-CD 4.28Å; W883-E897 WeakPolarHBondContact CH2-OE1 3.49Å |
| 884 | L | 73.6 | Confident | 59.8 | Low | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -91.8 | -26.3 | -177.5 | -70 | 171.2 | 0 | 0 | 0 | 113.8 | Y823 V827 V832 F835 E880 L881 S882 | Y823-L884 HydrophobicContact CD2-CD2 4.4Å; V827-L884 HydrophobicContact CG1-CD1 4.36Å; V832-L884 HydrophobicContact CG1-CD2 4.43Å; V832-L884 HydrophobicContact CG2-CD2 4.28Å; F835-L884 HydrophobicContact CB-CD1 4.14Å; F835-L884 HydrophobicContact CD2-CB 4.39Å; F835-L884 HydrophobicContact CD2-CD1 3.81Å; F835-L884 HydrophobicContact CE2-CB 4.1Å; F835-L884 HydrophobicContact CE2-CD1 4.34Å; F835-L884 HydrophobicContact CG-CD1 3.98Å; F835-L884 HydrophobicContact CZ-CB 4.29Å; E880-L884 WeakPolarHBondContact O-CG 3.44Å; E880-L884 PolarHBondContact O-N 3.14Å; L881-L884 PolarHBondContact O-N 3.02Å; S882-L884 VanDerWaalsContact C-N 3.35Å; S882-L884 PolarHBondContact O-N 3.04Å |
| 885 | D | 69.4 | Low | 58.1 | Low | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -118.7 | -29.8 | -175.3 | -72.9 | -43.2 | 0 | 0 | 0 | 115 | R471 F472 F835 R869 L881 | R471-D885 WeakPolarHBondContact CB-O 3.41Å; R471-D885 WeakPolarHBondContact CD-O 3.46Å; F472-D885 WeakPolarHBondContact CB-OD1 3.42Å; F472-D885 PolarHBondContact N-OD1 3.4Å; F835-D885 WeakPolarHBondContact CZ-OD1 3.28Å; R869-D885 IonicContact CZ-OD2 3.74Å; R869-D885 IonicContact NE-OD2 3.35Å; R869-D885 PolarHBondContact NE-OD2 3.37Å; R869-D885 IonicContact NH2-OD2 3.02Å; R869-D885 PolarHBondContact NH2-OD2 3.02Å; L881-D885 WeakPolarHBondContact O-CB 3.11Å; L881-D885 PolarHBondContact O-N 3.28Å |
| 886 | D | 58.3 | Low | 56.5 | Low | 70 Ų | 70 | 70.9 Ų | 70.9 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | trans | -104.3 | 119.6 | 179.2 | -87.2 | -44.2 | 0 | 0 | 0 | 111.2 | H320 S882 M888 | H320-D886 IonicContact CE1-OD1 3.85Å; H320-D886 PolarHBondContact CE1-OD1 3.4Å; H320-D886 IonicContact ND1-OD1 2.74Å; H320-D886 PolarHBondContact ND1-OD1 3.17Å; H320-D886 VanDerWaalsContact ND1-OD1 3.09Å; H320-D886 IonicContact NE2-OD1 3.81Å; S882-D886 CarbonylContact O-C 3.48Å; S882-D886 VanDerWaalsContact O-CA 3.3Å; S882-D886 WeakPolarHBondContact O-CA 3.41Å; S882-D886 WeakPolarHBondContact O-CB 3.44Å; S882-D886 PolarHBondContact O-N 3.28Å; D886-M888 VanDerWaalsContact C-N 3.27Å; D886-M888 PolarHBondContact O-N 3.23Å; D886-M888 VanDerWaalsContact O-N 3.08Å | ||
| 887 | L | 47.9 | Very low | 54.8 | Low | 87 Ų | 87 | 73 Ų | 73 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | trans | -78.7 | 90.6 | 154.7 | -85.1 | 158.1 | 0 | 0 | 0 | 107.6 | E692 | E692-L887 HydrophobicContact CG-CD1 3.89Å; E692-L887 WeakPolarHBondContact OE1-CD1 3.49Å | ||
| 888 | M | 32.8 | Very low | 53.4 | Low | 49 Ų | 49 | 71.9 Ų | 71.9 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | trans | -54.5 | 135.2 | 156.9 | -76.5 | -179.5 | 71.9 | 0 | 0 | 108.6 | D886 E890 K892 K893 L896 | D886-M888 VanDerWaalsContact C-N 3.27Å; D886-M888 PolarHBondContact O-N 3.23Å; D886-M888 VanDerWaalsContact O-N 3.08Å; M888-E890 PolarHBondContact O-N 3.37Å; M888-K892 HydrophobicContact CE-CB 3.45Å; M888-K892 VanDerWaalsContact CE-CB 3.45Å; M888-K892 WeakPolarHBondContact CE-O 3.29Å; M888-K893 HydrophobicContact CB-CB 4.27Å; M888-L896 HydrophobicContact CE-CB 4.22Å; M888-L896 HydrophobicContact CE-CD1 3.19Å; M888-L896 HydrophobicContact CE-CG 4.31Å; M888-L896 HydrophobicContact SD-CD1 3.99Å | ||
| 889 | P | 38.5 | Very low | 52.4 | Low | 58 Ų | 58 | 65.2 Ų | 65.2 | 38% | 0.377 | 33% | 0.329 | S | S | . | . | trans | -56.3 | 139.8 | 166.8 | 24.1 | -30.1 | 0 | 0 | 0 | 108.3 | S891 K892 K893 | P889-S891 PolarHBondContact O-N 3.24Å; P889-K892 HydrophobicContact CG-CB 4.13Å; P889-K892 HydrophobicContact CG-CD 4.45Å; P889-K892 HydrophobicContact CG-CG 4.13Å; P889-K892 PolarHBondContact O-N 3.28Å; P889-K893 PolarHBondContact O-N 2.81Å; P889-K893 VanDerWaalsContact O-N 3.1Å | ||
| 890 | E | 33.9 | Very low | 51.4 | Low | 166 Ų | 166 | 61.3 Ų | 61.3 | 78% | 0.776 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -50 | -27.6 | -176.9 | -69.4 | 177.9 | 161.3 | 0 | 0 | 112.6 | M888 K894 | M888-E890 PolarHBondContact O-N 3.37Å; E890-K894 PolarHBondContact O-N 3.32Å |
| 891 | S | 34.2 | Very low | 50.3 | Low | 84 Ų | 84 | 65.4 Ų | 65.4 | 59% | 0.587 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -68.4 | -42 | 174.7 | 55.2 | 0 | 0 | 0 | 0 | 114.8 | P889 K895 | P889-S891 PolarHBondContact O-N 3.24Å; S891-K895 PolarHBondContact O-N 3.18Å |
| 892 | K | 38.4 | Very low | 49.3 | Very low | 126 Ų | 126 | 71.8 Ų | 71.8 | 55% | 0.548 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -76.5 | -31.2 | 175.1 | -76.1 | -164.7 | 177.4 | -163.9 | 0 | 111.5 | M888 P889 K895 L896 | M888-K892 HydrophobicContact CE-CB 3.45Å; M888-K892 VanDerWaalsContact CE-CB 3.45Å; M888-K892 WeakPolarHBondContact CE-O 3.29Å; P889-K892 HydrophobicContact CG-CB 4.13Å; P889-K892 HydrophobicContact CG-CD 4.45Å; P889-K892 HydrophobicContact CG-CG 4.13Å; P889-K892 PolarHBondContact O-N 3.28Å; K892-K895 PolarHBondContact O-N 3.2Å; K892-L896 PolarHBondContact O-N 3.18Å; K892-L896 VanDerWaalsContact O-N 3.08Å |
| 893 | K | 45.5 | Very low | 48.2 | Very low | 42 Ų | 42 | 76 Ų | 76 | 18% | 0.183 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 177.5 | -175.2 | -175.3 | -175.5 | 168.5 | 0 | 111.9 | W883 M888 P889 L896 E897 | W883-K893 HydrophobicContact CH2-CD 4.15Å; W883-K893 HydrophobicContact CH2-CG 3.96Å; W883-K893 HydrophobicContact CZ3-CD 4.28Å; M888-K893 HydrophobicContact CB-CB 4.27Å; P889-K893 PolarHBondContact O-N 2.81Å; P889-K893 VanDerWaalsContact O-N 3.1Å; K893-L896 PolarHBondContact O-N 3.04Å; K893-E897 WeakPolarHBondContact O-CG 3.42Å; K893-E897 PolarHBondContact O-N 3.3Å |
| 894 | K | 45 | Very low | 47.1 | Very low | 68 Ų | 68 | 79.3 Ų | 79.3 | 30% | 0.296 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 174.6 | -115.8 | 173.7 | 162.7 | -175 | 0 | 112.7 | K297 E890 L896 E897 D898 | K297-K894 HydrophobicContact CD-CD 4Å; K297-K894 VanDerWaalsContact CD-CE 3.46Å; E890-K894 PolarHBondContact O-N 3.32Å; K894-L896 VanDerWaalsContact C-N 3.28Å; K894-L896 PolarHBondContact O-N 2.77Å; K894-E897 PolarHBondContact O-N 2.89Å; K894-D898 WeakPolarHBondContact O-CB 3.41Å; K894-D898 PolarHBondContact O-N 2.99Å; K894-D898 VanDerWaalsContact O-OD2 3.1Å |
| 895 | K | 42.4 | Very low | 45.9 | Very low | 123 Ų | 123 | 85.5 Ų | 85.5 | 54% | 0.535 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.2 | -36.8 | 176.1 | -74.3 | -173.4 | 176.6 | -167.8 | 0 | 112.4 | E314 S891 K892 A899 | E314-K895 IonicContact OE2-NZ 3.73Å; E314-K895 PolarHBondContact OE2-NZ 2.99Å; S891-K895 PolarHBondContact O-N 3.18Å; K892-K895 PolarHBondContact O-N 3.2Å; K895-A899 WeakPolarHBondContact O-CB 3.49Å; K895-A899 PolarHBondContact O-N 3.29Å; K895-A899 VanDerWaalsContact O-N 3.14Å |
| 896 | L | 45.3 | Very low | 44.7 | Very low | 104 Ų | 104 | 88 Ų | 88 | 55% | 0.545 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -79.7 | -34.7 | 179 | -107.2 | 139.5 | 0 | 0 | 0 | 112.9 | M888 K892 K893 K894 E900 | M888-L896 HydrophobicContact CE-CB 4.22Å; M888-L896 HydrophobicContact CE-CD1 3.19Å; M888-L896 HydrophobicContact CE-CG 4.31Å; M888-L896 HydrophobicContact SD-CD1 3.99Å; K892-L896 PolarHBondContact O-N 3.18Å; K892-L896 VanDerWaalsContact O-N 3.08Å; K893-L896 PolarHBondContact O-N 3.04Å; K894-L896 VanDerWaalsContact C-N 3.28Å; K894-L896 PolarHBondContact O-N 2.77Å; L896-E900 WeakPolarHBondContact O-CB 3.47Å; L896-E900 PolarHBondContact O-N 2.94Å |
| 897 | E | 45 | Very low | 44.2 | Very low | 52 Ų | 52 | 89.1 Ų | 89.1 | 24% | 0.243 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 170.5 | -74.4 | 168.5 | -179.1 | 0 | 0 | 111.2 | H826 W883 K893 K894 E900 E901 | H826-E897 IonicContact CE1-OE1 2.68Å; H826-E897 IonicContact NE2-OE1 3.09Å; W883-E897 WeakPolarHBondContact CH2-OE1 3.49Å; K893-E897 WeakPolarHBondContact O-CG 3.42Å; K893-E897 PolarHBondContact O-N 3.3Å; K894-E897 PolarHBondContact O-N 2.89Å; E897-E900 PolarHBondContact O-N 3.21Å; E897-E901 PolarHBondContact O-N 3.36Å |
| 898 | D | 45.8 | Very low | 44.2 | Very low | 57 Ų | 57 | 90.5 Ų | 90.5 | 31% | 0.305 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 179.9 | -62.2 | -22 | 0 | 0 | 0 | 111.9 | K297 K894 E900 E901 E902 | K297-D898 WeakPolarHBondContact CE-OD2 3.45Å; K297-D898 IonicContact NZ-OD1 3.94Å; K297-D898 PolarHBondContact NZ-OD1 3.1Å; K297-D898 IonicContact NZ-OD2 2.56Å; K297-D898 PolarHBondContact NZ-OD2 3Å; K894-D898 WeakPolarHBondContact O-CB 3.41Å; K894-D898 PolarHBondContact O-N 2.99Å; K894-D898 VanDerWaalsContact O-OD2 3.1Å; D898-E900 PolarHBondContact O-N 3.08Å; D898-E901 PolarHBondContact O-N 2.87Å; D898-E902 WeakPolarHBondContact O-CG 2.9Å; D898-E902 PolarHBondContact O-N 3.33Å |
| 899 | A | 48.6 | Very low | 44.8 | Very low | 49 Ų | 49 | 91 Ų | 91 | 41% | 0.405 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.2 | -25 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K895 E903 | K895-A899 WeakPolarHBondContact O-CB 3.49Å; K895-A899 PolarHBondContact O-N 3.29Å; K895-A899 VanDerWaalsContact O-N 3.14Å; A899-E903 WeakPolarHBondContact O-CB 3.37Å; A899-E903 PolarHBondContact O-N 3.19Å |
| 900 | E | 49 | Very low | 45 | Very low | 33 Ų | 33 | 96.2 Ų | 96.2 | 15% | 0.154 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -89.1 | -33.9 | -177.8 | -152.5 | -166.8 | 146.4 | 0 | 0 | 113 | R879 L896 E897 D898 E902 E903 E904 | R879-E900 IonicContact CZ-OE1 3.8Å; R879-E900 IonicContact CZ-OE2 3.94Å; R879-E900 IonicContact NE-OE1 3.09Å; R879-E900 IonicContact NE-OE2 3.31Å; R879-E900 PolarHBondContact NE-OE2 3.21Å; R879-E900 VanDerWaalsContact NE-OE2 3.1Å; R879-E900 IonicContact NH1-OE1 3.47Å; R879-E900 PolarHBondContact NH1-OE1 3.28Å; R879-E900 IonicContact NH1-OE2 2.73Å; R879-E900 IonicContact NH2-OE1 3.92Å; R879-E900 PolarHBondContact NH2-OE1 3.36Å; R879-E900 IonicContact NH2-OE2 2.83Å; R879-E900 PolarHBondContact NH2-OE2 2.9Å; L896-E900 WeakPolarHBondContact O-CB 3.47Å; L896-E900 PolarHBondContact O-N 2.94Å; E897-E900 PolarHBondContact O-N 3.21Å; D898-E900 PolarHBondContact O-N 3.08Å; E900-E902 PolarHBondContact O-N 3.46Å; E900-E903 PolarHBondContact O-N 2.86Å; E900-E904 WeakPolarHBondContact O-CB 3.31Å; E900-E904 PolarHBondContact O-N 3.47Å |
| 901 | E | 51.8 | Low | 45.6 | Very low | 120 Ų | 120 | 95.5 Ų | 95.5 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.7 | -36.1 | 166.2 | -74.6 | -177.2 | 178.7 | 0 | 0 | 110.4 | E897 D898 Q905 | E897-E901 PolarHBondContact O-N 3.36Å; D898-E901 PolarHBondContact O-N 2.87Å; E901-Q905 WeakPolarHBondContact O-CB 3.48Å; E901-Q905 WeakPolarHBondContact O-CG 3.37Å; E901-Q905 PolarHBondContact O-N 2.99Å; E901-Q905 VanDerWaalsContact O-N 3.08Å |
| 902 | E | 50.6 | Low | 45.8 | Very low | 139 Ų | 139 | 98.7 Ų | 98.7 | 65% | 0.65 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.9 | -41.1 | 171.5 | -72.9 | 179.1 | 174.6 | 0 | 0 | 112.3 | D898 E900 S906 | D898-E902 WeakPolarHBondContact O-CG 2.9Å; D898-E902 PolarHBondContact O-N 3.33Å; E900-E902 PolarHBondContact O-N 3.46Å; E902-S906 VanDerWaalsContact O-CB 3.31Å; E902-S906 WeakPolarHBondContact O-CB 3.49Å; E902-S906 PolarHBondContact O-N 2.93Å; E902-S906 PolarHBondContact O-OG 3.34Å |
| 903 | E | 46.3 | Very low | 45.9 | Very low | 121 Ų | 121 | 95.8 Ų | 95.8 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.9 | -44.6 | -180 | -153.7 | 175.8 | -162.5 | 0 | 0 | 111.8 | A899 E900 Q905 S906 I907 | A899-E903 WeakPolarHBondContact O-CB 3.37Å; A899-E903 PolarHBondContact O-N 3.19Å; E900-E903 PolarHBondContact O-N 2.86Å; E903-Q905 PolarHBondContact O-N 3.41Å; E903-S906 WeakPolarHBondContact CA-OG 3.46Å; E903-S906 PolarHBondContact O-N 3.39Å; E903-S906 VanDerWaalsContact O-N 3.14Å; E903-S906 PolarHBondContact O-OG 3.13Å; E903-I907 HydrophobicContact CG-CD1 4.16Å; E903-I907 WeakPolarHBondContact O-CD1 3.36Å; E903-I907 WeakPolarHBondContact O-CG1 3.13Å; E903-I907 PolarHBondContact O-N 3.11Å |
| 904 | E | 46.6 | Very low | 45.3 | Very low | 112 Ų | 112 | 98.6 Ų | 98.6 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 173.8 | -78.5 | -170.5 | 159.4 | 0 | 0 | 111.8 | E900 S906 L908 | E900-E904 WeakPolarHBondContact O-CB 3.31Å; E900-E904 PolarHBondContact O-N 3.47Å; E904-S906 VanDerWaalsContact C-N 3.33Å; E904-L908 WeakPolarHBondContact O-CB 3.33Å; E904-L908 WeakPolarHBondContact O-CD1 3.37Å; E904-L908 WeakPolarHBondContact O-CG 3.5Å; E904-L908 PolarHBondContact O-N 3.45Å |
| 905 | Q | 48.8 | Very low | 44.7 | Very low | 131 Ų | 131 | 101.7 Ų | 101.7 | 61% | 0.612 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.9 | -35.7 | 172.8 | -75.9 | 173.8 | 20.3 | 0 | 0 | 112 | E901 E903 A909 | E901-Q905 WeakPolarHBondContact O-CB 3.48Å; E901-Q905 WeakPolarHBondContact O-CG 3.37Å; E901-Q905 PolarHBondContact O-N 2.99Å; E901-Q905 VanDerWaalsContact O-N 3.08Å; E903-Q905 PolarHBondContact O-N 3.41Å; Q905-A909 VanDerWaalsContact O-CB 3.31Å; Q905-A909 WeakPolarHBondContact O-CB 3.44Å; Q905-A909 PolarHBondContact O-N 3.02Å |
| 906 | S | 43.3 | Very low | 44 | Very low | 56 Ų | 56 | 104.6 Ų | 104.6 | 39% | 0.392 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.4 | -39.7 | 176.7 | 76.9 | 0 | 0 | 0 | 0 | 112.8 | E902 E903 E904 A909 E910 | E902-S906 VanDerWaalsContact O-CB 3.31Å; E902-S906 WeakPolarHBondContact O-CB 3.49Å; E902-S906 PolarHBondContact O-N 2.93Å; E902-S906 PolarHBondContact O-OG 3.34Å; E903-S906 WeakPolarHBondContact CA-OG 3.46Å; E903-S906 PolarHBondContact O-N 3.39Å; E903-S906 VanDerWaalsContact O-N 3.14Å; E903-S906 PolarHBondContact O-OG 3.13Å; E904-S906 VanDerWaalsContact C-N 3.33Å; S906-A909 PolarHBondContact O-N 3.29Å; S906-E910 PolarHBondContact O-N 3.04Å |
| 907 | I | 49.4 | Very low | 43.2 | Very low | 94 Ų | 94 | 105.7 Ų | 105.7 | 48% | 0.482 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.3 | -41 | 177.9 | -65.1 | 162.5 | 0 | 0 | 0 | 110.2 | E903 A909 E910 D911 | E903-I907 HydrophobicContact CG-CD1 4.16Å; E903-I907 WeakPolarHBondContact O-CD1 3.36Å; E903-I907 WeakPolarHBondContact O-CG1 3.13Å; E903-I907 PolarHBondContact O-N 3.11Å; I907-A909 VanDerWaalsContact C-N 3.27Å; I907-A909 PolarHBondContact O-N 3.22Å; I907-E910 PolarHBondContact O-N 3.44Å; I907-D911 PolarHBondContact O-N 3.28Å |
| 908 | L | 48 | Very low | 42.5 | Very low | 116 Ų | 116 | 108.6 Ų | 108.6 | 61% | 0.607 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.5 | -32.3 | 172.1 | -79 | 162 | 0 | 0 | 0 | 112.3 | E904 E912 | E904-L908 WeakPolarHBondContact O-CB 3.33Å; E904-L908 WeakPolarHBondContact O-CD1 3.37Å; E904-L908 WeakPolarHBondContact O-CG 3.5Å; E904-L908 PolarHBondContact O-N 3.45Å; L908-E912 PolarHBondContact O-N 3.24Å |
| 909 | A | 44.3 | Very low | 41.6 | Very low | 61 Ų | 61 | 114.3 Ų | 114.3 | 50% | 0.504 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -75.4 | -30.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q905 S906 I907 | Q905-A909 VanDerWaalsContact O-CB 3.31Å; Q905-A909 WeakPolarHBondContact O-CB 3.44Å; Q905-A909 PolarHBondContact O-N 3.02Å; S906-A909 PolarHBondContact O-N 3.29Å; I907-A909 VanDerWaalsContact C-N 3.27Å; I907-A909 PolarHBondContact O-N 3.22Å |
| 910 | E | 43.5 | Very low | 40.4 | Very low | 166 Ų | 166 | 115.8 Ų | 115.8 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.7 | -37.6 | 175.2 | -77.6 | -168.5 | 156.5 | 0 | 0 | 112.8 | S906 I907 E912 G913 | S906-E910 PolarHBondContact O-N 3.04Å; I907-E910 PolarHBondContact O-N 3.44Å; E910-E912 VanDerWaalsContact C-N 3.29Å; E910-E912 PolarHBondContact O-N 3.21Å; E910-G913 PolarHBondContact O-N 2.79Å |
| 911 | D | 45.5 | Very low | 39.5 | Very low | 151 Ų | 151 | 117.7 Ų | 117.7 | 81% | 0.807 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -72.6 | -20.9 | -179.5 | -127.2 | 13.2 | 0 | 0 | 0 | 112.7 | I907 | I907-D911 PolarHBondContact O-N 3.28Å |
| 912 | E | 38.7 | Very low | 38.5 | Very low | 152 Ų | 152 | 123.1 Ų | 123.1 | 71% | 0.71 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -2.9 | 175.7 | -70.2 | -160 | 163.1 | 0 | 0 | 114.9 | L908 E910 V914 | L908-E912 PolarHBondContact O-N 3.24Å; E910-E912 VanDerWaalsContact C-N 3.29Å; E910-E912 PolarHBondContact O-N 3.21Å; E912-V914 HydrophobicContact CB-CG2 4.33Å; E912-V914 PolarHBondContact O-N 3.45Å |
| 913 | G | 40.7 | Very low | 37.3 | Very low | 65 Ų | 65 | 126.3 Ų | 126.3 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.8 | 34.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | E910 | E910-G913 PolarHBondContact O-N 2.79Š|
| 914 | V | 32.8 | Very low | 36.4 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 61% | 0.612 | 71% | 0.712 | S | S | * | * | trans | -96.6 | 108.2 | -176.8 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | E912 Q916 | E912-V914 HydrophobicContact CB-CG2 4.33Å; E912-V914 PolarHBondContact O-N 3.45Å; V914-Q916 PolarHBondContact O-N 3.46Å | ||
| 915 | V | 32.1 | Very low | 35.7 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | trans | -71.5 | 111.6 | 164.5 | 176.3 | 0 | 0 | 0 | 0 | 108.7 | V917 | V915-V917 PolarHBondContact O-N 3.36Š| ||
| 916 | Q | 28.7 | Very low | 34.8 | Very low | 184 Ų | 184 | 125.3 Ų | 125.3 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | trans | -73.4 | 117.8 | 176.7 | -78.6 | -175.4 | -10.7 | 0 | 0 | 111.8 | V914 | V914-Q916 PolarHBondContact O-N 3.46Š| ||
| 917 | V | 27.4 | Very low | 34.1 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | trans | -109.8 | 131.4 | 154.8 | -177.1 | 0 | 0 | 0 | 0 | 106.5 | V915 L919 | V915-V917 PolarHBondContact O-N 3.36Å; V917-L919 PolarHBondContact O-N 3.27Å | ||
| 918 | P | 31.8 | Very low | 33.2 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | trans | -84.3 | 119.2 | -168.8 | 31.8 | -30.9 | 0 | 0 | 0 | 110.8 | ||||
| 919 | L | 25.3 | Very low | 32.2 | Very low | 176 Ų | 176 | 134 Ų | 134 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -160.9 | 113.4 | 150.7 | -135.1 | 83.4 | 0 | 0 | 0 | 111.7 | V917 | V917-L919 PolarHBondContact O-N 3.27Š| ||
| 920 | G | 25 | Very low | 31.8 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | 49 | 115.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 921 | G | 29.6 | Very low | 31.2 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | 94.4 | 116.7 | 130.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 922 | Y | 29.5 | Very low | 30.6 | Very low | 233 Ų | 233 | 130.9 Ų | 130.9 | 91% | 0.914 | 76% | 0.755 | S | S | * | * | trans | 79.2 | 133.3 | 151.7 | -95.8 | -85 | 0 | 0 | 0 | 122.4 | ||||
| 923 | K | 27.1 | Very low | 30.4 | Very low | 206 Ų | 206 | 131.3 Ų | 131.3 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | trans | 100 | 138.3 | 161.1 | -63.7 | -180 | 176.5 | 179.5 | 0 | 115.7 | ||||
| 924 | G | 27.5 | Very low | 30.1 | Very low | 75 Ų | 75 | 132.8 Ų | 132.8 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | cis | -172.2 | 164.4 | 6.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 925 | I | 30.7 | Very low | 29.9 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -88 | 142 | -171 | -59 | 161.4 | 0 | 0 | 0 | 111.3 | ||
| 926 | P | 30.5 | Very low | 30.1 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 133.2 | 162.4 | 32.8 | -27.9 | 0 | 0 | 0 | 111.7 | ||
| 927 | I | 28.5 | Very low | 30.5 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 125.6 | 176.8 | -63.9 | 164.7 | 0 | 0 | 0 | 108.8 | ||
| 928 | I | 30.9 | Very low | 30.6 | Very low | 149 Ų | 149 | 126.8 Ų | 126.8 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | -108.8 | 131.4 | 168.7 | -62.1 | 172.6 | 0 | 0 | 0 | 108.3 | ||||
| 929 | N | 26.4 | Very low | 30.3 | Very low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | -89.4 | 105.3 | -168.8 | -163.6 | 9.3 | 0 | 0 | 0 | 111.3 | T931 | N929-T931 PolarHBondContact O-N 2.97Å; N929-T931 VanDerWaalsContact O-N 3.17Å | ||
| 930 | I | 36.1 | Very low | 30.5 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 37% | 0.374 | 73% | 0.732 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | 65.4 | -175.3 | -50.7 | 170.4 | 0 | 0 | 0 | 110.3 | E279 E933 | E279-I930 WeakPolarHBondContact OE2-CG2 3.28Å; I930-E933 HydrophobicContact CG2-CB 4.47Å |
| 931 | T | 31 | Very low | 30.6 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 63% | 0.632 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -16.9 | 167.9 | 20.3 | 0 | 0 | 0 | 0 | 113 | N929 | N929-T931 PolarHBondContact O-N 2.97Å; N929-T931 VanDerWaalsContact O-N 3.17Å |
| 932 | D | 31.8 | Very low | 30.5 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -93.2 | -22.1 | -178.1 | -101.3 | -20.5 | 0 | 0 | 0 | 114.7 | S935 | D932-S935 PolarHBondContact O-OG 2.62Š|
| 933 | E | 35.3 | Very low | 30.4 | Very low | 162 Ų | 162 | 133 Ų | 133 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -83.7 | -29.4 | -177.5 | -76.7 | -160 | 146.3 | 0 | 0 | 114.3 | I930 S935 | I930-E933 HydrophobicContact CG2-CB 4.47Å; E933-S935 VanDerWaalsContact C-N 3.33Å; E933-S935 PolarHBondContact O-N 3.11Å |
| 934 | M | 33.5 | Very low | 30.7 | Very low | 95 Ų | 95 | 131 Ų | 131 | 47% | 0.468 | 73% | 0.734 | S | S | . | * | G | 310 helix | trans | -75.9 | -16.7 | -179.8 | -83.3 | -144.1 | -119.6 | 0 | 0 | 115.3 | E279 K936 | E279-M934 HydrophobicContact CB-CE 3.25Å; E279-M934 HydrophobicContact CB-SD 4.24Å; E279-M934 HydrophobicContact CG-CE 3.07Å; E279-M934 WeakPolarHBondContact OE1-CE 3.35Å; M934-K936 PolarHBondContact O-N 3.24Å; M934-K936 VanDerWaalsContact O-N 3.12Å |
| 935 | S | 30.2 | Very low | 30.8 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -70.9 | -4.7 | 178.6 | 70 | 0 | 0 | 0 | 0 | 113.9 | D932 E933 | D932-S935 PolarHBondContact O-OG 2.62Å; E933-S935 VanDerWaalsContact C-N 3.33Å; E933-S935 PolarHBondContact O-N 3.11Å |
| 936 | K | 36.4 | Very low | 30.8 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 61% | 0.613 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -103.4 | 0.5 | -178.5 | -71.1 | -179.6 | -176.6 | 168.2 | 0 | 115.2 | M934 | M934-K936 PolarHBondContact O-N 3.24Å; M934-K936 VanDerWaalsContact O-N 3.12Å |
| 937 | G | 35.6 | Very low | 30.9 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -98.6 | -12.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 938 | S | 29.8 | Very low | 31 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -120.2 | 98.4 | -172.4 | -164.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 939 | F | 26.5 | Very low | 31 | Very low | 223 Ų | 223 | 135.7 Ų | 135.7 | 98% | 0.978 | 76% | 0.756 | S | S | * | * | trans | -142 | 110 | 156.2 | -122 | -86 | 0 | 0 | 0 | 109.7 | ||||
| 940 | G | 29.3 | Very low | 31.2 | Very low | 59 Ų | 59 | 135.8 Ų | 135.8 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | trans | 133.1 | 89.3 | 158 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 941 | N | 26.8 | Very low | 31 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -172.8 | 85.7 | 133.4 | -91.4 | -16.4 | 0 | 0 | 0 | 110.1 | W943 | N941-W943 PolarHBondContact O-N 2.95Š| ||
| 942 | T | 27.9 | Very low | 31 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -76.7 | 106.4 | 159.4 | 26.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 943 | W | 27.8 | Very low | 30.9 | Very low | 232 Ų | 232 | 142.1 Ų | 142.1 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -90 | 128.2 | 159.8 | -88.4 | 67.3 | 0 | 0 | 0 | 108.9 | N941 | N941-W943 PolarHBondContact O-N 2.95Š| ||
| 944 | N | 31.7 | Very low | 30.6 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -65 | 135.3 | 174 | -78.3 | -26.8 | 0 | 0 | 0 | 111.3 | ||||
| 945 | A | 31 | Very low | 30.4 | Very low | 89 Ų | 89 | 144.2 Ų | 144.2 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | trans | -144.7 | 125.9 | 156 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 946 | N | 30.4 | Very low | 30.4 | Very low | 154 Ų | 154 | 148.4 Ų | 148.4 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | trans | 73 | 87.8 | 164.1 | -56.3 | -10.6 | 0 | 0 | 0 | 118.8 | ||||
| 947 | D | 31.5 | Very low | 29.8 | Very low | 240 Ų | 240 | 149.1 Ų | 149.1 | 100% | 1.283 | 86% | 0.855 | S | S | * | * | 174.1 | 0 | 98.9 | -97 | -14.8 | 0 | 0 | 0 | 110.4 |
Retrieved 947 of 947 residues in 384.3 ms
(Link to these results)