| 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 | 77.8 | Confident | 86.4 | Confident | 86 Ų | 86 | 19.5 Ų | 19.5 | 42% | 0.424 | 11% | 0.105 | S | C | . | . | 0 | 112.8 | 0 | -83.1 | 165.3 | 141.5 | 0 | 0 | 106.5 | V3 F4 E5 D25 L27 I28 | M1-V3 PolarHBondContact O-N 2.85Å; M1-F4 HydrophobicContact CB-CB 4.03Å; M1-F4 WeakPolarHBondContact O-CB 3.45Å; M1-F4 PolarHBondContact O-N 2.76Å; M1-E5 PolarHBondContact O-N 3.23Å; M1-D25 PolarHBondContact N-O 3.01Å; M1-L27 HydrophobicContact CE-CD1 4.35Å; M1-L27 HydrophobicContact CE-CD2 4.45Å; M1-L27 HydrophobicContact CE-CG 4.19Å; M1-L27 HydrophobicContact SD-CD1 4.45Å; M1-L27 HydrophobicContact SD-CD2 4.01Å; M1-L27 HydrophobicContact SD-CG 3.69Å; M1-I28 HydrophobicContact CE-CG2 4.42Å | |||
| 2 | P | 77.7 | Confident | 86.6 | Confident | 66 Ų | 66 | 19.3 Ų | 19.3 | 43% | 0.429 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -53.1 | -59.5 | -159.1 | -29.1 | 35.4 | 0 | 0 | 0 | 114.6 | F4 E5 D6 K194 | P2-F4 PolarHBondContact O-N 3.1Å; P2-F4 VanDerWaalsContact O-N 3.12Å; P2-E5 PolarHBondContact O-N 3.5Å; P2-E5 VanDerWaalsContact O-N 3.1Å; P2-D6 PolarHBondContact O-N 2.78Å; P2-K194 HydrophobicContact CG-CD 4.37Å |
| 3 | V | 86.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.9 | -32 | 179.9 | 65.6 | 0 | 0 | 0 | 0 | 114 | M1 V7 V99 V166 Q168 K194 V196 | M1-V3 PolarHBondContact O-N 2.85Å; V3-V7 WeakPolarHBondContact O-CG2 3.17Å; V3-V7 PolarHBondContact O-N 3.12Å; V3-V99 HydrophobicContact CG2-CG1 4.04Å; V3-V99 HydrophobicContact CG2-CG2 3.94Å; V3-V166 HydrophobicContact CG1-CG2 4.4Å; V3-V166 HydrophobicContact CG2-CB 4.26Å; V3-V166 HydrophobicContact CG2-CG2 3.96Å; V3-Q168 HydrophobicContact CB-CG 3.9Å; V3-Q168 HydrophobicContact CG2-CG 3.89Å; V3-K194 WeakPolarHBondContact CG1-O 3.17Å; V3-V196 HydrophobicContact CG1-CB 3.8Å; V3-V196 HydrophobicContact CG1-CG2 3.32Å |
| 4 | F | 88.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -74.4 | -43.3 | -180 | -178.7 | -98.8 | 0 | 0 | 0 | 110.5 | M1 P2 V7 T8 L24 L27 I198 L204 | M1-F4 HydrophobicContact CB-CB 4.03Å; M1-F4 WeakPolarHBondContact O-CB 3.45Å; M1-F4 PolarHBondContact O-N 2.76Å; P2-F4 PolarHBondContact O-N 3.1Å; P2-F4 VanDerWaalsContact O-N 3.12Å; F4-V7 PolarHBondContact O-N 3.36Å; F4-T8 HydrophobicContact CD1-CG2 4.17Å; F4-T8 HydrophobicContact CE1-CG2 3.77Å; F4-T8 HydrophobicContact CE2-CG2 4.25Å; F4-T8 HydrophobicContact CZ-CG2 3.81Å; F4-T8 WeakPolarHBondContact O-CG2 3.37Å; F4-T8 PolarHBondContact O-N 3.15Å; F4-T8 PolarHBondContact O-OG1 3.35Å; F4-L24 HydrophobicContact CE1-CB 4.18Å; F4-L24 HydrophobicContact CE1-CD2 4.25Å; F4-L24 HydrophobicContact CE1-CG 4.22Å; F4-L24 WeakPolarHBondContact CE1-O 3.43Å; F4-L24 HydrophobicContact CZ-CD2 4.38Å; F4-L27 HydrophobicContact CD2-CB 4.34Å; F4-L27 HydrophobicContact CD2-CD2 4.1Å; F4-L27 HydrophobicContact CE1-CB 4.21Å; F4-L27 HydrophobicContact CE2-CB 3.99Å; F4-L27 HydrophobicContact CE2-CD2 4.38Å; F4-L27 HydrophobicContact CZ-CB 3.92Å; F4-I198 HydrophobicContact CD2-CD1 4.03Å; F4-I198 HydrophobicContact CD2-CG1 4.04Å; F4-I198 HydrophobicContact CE2-CD1 4.15Å; F4-I198 HydrophobicContact CE2-CG1 4.13Å; F4-L204 HydrophobicContact CE2-CD2 3.78Å; F4-L204 HydrophobicContact CZ-CD2 4.07Å |
| 5 | E | 87.8 | Confident | 86.6 | Confident | 11 Ų | 11 | 29.9 Ų | 29.9 | 5% | 0.051 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.7 | -40 | 177.2 | -175.4 | 171 | -176.4 | 0 | 0 | 112.2 | M1 P2 V7 T8 R9 H427 | M1-E5 PolarHBondContact O-N 3.23Å; P2-E5 PolarHBondContact O-N 3.5Å; P2-E5 VanDerWaalsContact O-N 3.1Å; E5-V7 VanDerWaalsContact C-N 3.29Å; E5-V7 PolarHBondContact O-N 3.22Å; E5-T8 WeakPolarHBondContact CA-OG1 2.8Å; E5-T8 PolarHBondContact O-N 3.44Å; E5-T8 PolarHBondContact O-OG1 3.26Å; E5-R9 HydrophobicContact CG-CG 4.23Å; E5-R9 WeakPolarHBondContact O-CB 3.21Å; E5-R9 WeakPolarHBondContact O-CG 3.35Å; E5-R9 PolarHBondContact O-N 3.12Å; E5-R9 IonicContact OE1-CZ 3.21Å; E5-R9 VanDerWaalsContact OE1-CZ 3.27Å; E5-R9 IonicContact OE1-NE 2.92Å; E5-R9 PolarHBondContact OE1-NE 3.36Å; E5-R9 IonicContact OE1-NH2 2.76Å; E5-R9 PolarHBondContact OE1-NH2 3.49Å; E5-H427 IonicContact OE1-CD2 3.77Å |
| 6 | D | 85.9 | Confident | 86.6 | Confident | 11 Ų | 11 | 30.8 Ų | 30.8 | 6% | 0.059 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.6 | -47.8 | 173.8 | -59.7 | -28.2 | 0 | 0 | 0 | 110.4 | P2 A10 P96 Q168 H427 | P2-D6 PolarHBondContact O-N 2.78Å; D6-A10 WeakPolarHBondContact O-CB 3.34Å; D6-A10 PolarHBondContact O-N 2.75Å; D6-A10 VanDerWaalsContact O-N 3.09Å; D6-P96 HydrophobicContact CB-CG 4.13Å; D6-P96 WeakPolarHBondContact O-CG 3.49Å; D6-Q168 PolarHBondContact OD2-NE2 3.16Å; D6-H427 IonicContact OD1-CE1 3.41Å; D6-H427 PolarHBondContact OD1-CE1 3.36Å; D6-H427 IonicContact OD1-NE2 2.64Å |
| 7 | V | 89.4 | Confident | 86.3 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.8 | -46.7 | 179.1 | 168.2 | 0 | 0 | 0 | 0 | 111.7 | V3 F4 E5 L11 V95 V99 L113 V166 | V3-V7 WeakPolarHBondContact O-CG2 3.17Å; V3-V7 PolarHBondContact O-N 3.12Å; F4-V7 PolarHBondContact O-N 3.36Å; E5-V7 VanDerWaalsContact C-N 3.29Å; E5-V7 PolarHBondContact O-N 3.22Å; V7-L11 VanDerWaalsContact O-CB 3.24Å; V7-L11 WeakPolarHBondContact O-CB 3.24Å; V7-L11 PolarHBondContact O-N 3.32Å; V7-V95 HydrophobicContact CG1-CG1 4.3Å; V7-V95 HydrophobicContact CG2-CB 4.47Å; V7-V95 HydrophobicContact CG2-CG1 4.35Å; V7-V99 HydrophobicContact CG2-CB 4.49Å; V7-V99 HydrophobicContact CG2-CG1 3.94Å; V7-V99 HydrophobicContact CG2-CG2 4.34Å; V7-L113 HydrophobicContact CG1-CD1 3.52Å; V7-V166 HydrophobicContact CG2-CG1 4.47Å |
| 8 | T | 91.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.4 | -36.3 | -176.7 | 58 | 0 | 0 | 0 | 0 | 112.2 | F4 E5 L11 V12 L24 L204 | F4-T8 HydrophobicContact CD1-CG2 4.17Å; F4-T8 HydrophobicContact CE1-CG2 3.77Å; F4-T8 HydrophobicContact CE2-CG2 4.25Å; F4-T8 HydrophobicContact CZ-CG2 3.81Å; F4-T8 WeakPolarHBondContact O-CG2 3.37Å; F4-T8 PolarHBondContact O-N 3.15Å; F4-T8 PolarHBondContact O-OG1 3.35Å; E5-T8 WeakPolarHBondContact CA-OG1 2.8Å; E5-T8 PolarHBondContact O-N 3.44Å; E5-T8 PolarHBondContact O-OG1 3.26Å; T8-L11 PolarHBondContact O-N 3.16Å; T8-V12 WeakPolarHBondContact O-CG2 3.38Å; T8-V12 PolarHBondContact O-N 3.47Å; T8-L24 WeakPolarHBondContact CB-O 3.12Å; T8-L24 WeakPolarHBondContact CG2-O 2.93Å; T8-L24 PolarHBondContact OG1-O 3.07Å; T8-L204 VanDerWaalsContact CB-O 3.29Å; T8-L204 WeakPolarHBondContact CB-O 3.36Å; T8-L204 HydrophobicContact CG2-CB 4.11Å; T8-L204 HydrophobicContact CG2-CD2 4.33Å; T8-L204 WeakPolarHBondContact CG2-O 3.19Å |
| 9 | R | 89.2 | Confident | 85.4 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 11% | 0.109 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.8 | -42.9 | 175.7 | -72.4 | -175.8 | 179.7 | -71.8 | -8.4 | 112.5 | E5 V12 R13 P23 W49 G50 H427 | E5-R9 HydrophobicContact CG-CG 4.23Å; E5-R9 WeakPolarHBondContact O-CB 3.21Å; E5-R9 WeakPolarHBondContact O-CG 3.35Å; E5-R9 PolarHBondContact O-N 3.12Å; E5-R9 IonicContact OE1-CZ 3.21Å; E5-R9 VanDerWaalsContact OE1-CZ 3.27Å; E5-R9 IonicContact OE1-NE 2.92Å; E5-R9 PolarHBondContact OE1-NE 3.36Å; E5-R9 IonicContact OE1-NH2 2.76Å; E5-R9 PolarHBondContact OE1-NH2 3.49Å; R9-V12 PolarHBondContact O-N 3.45Å; R9-R13 PolarHBondContact O-N 2.54Å; R9-R13 VanDerWaalsContact O-N 3.14Å; R9-P23 HydrophobicContact CG-CB 3.94Å; R9-P23 HydrophobicContact CG-CG 3.85Å; R9-W49 VanDerWaalsContact NH2-C 3.28Å; R9-G50 PolarHBondContact NH2-O 2.76Å; R9-H427 VanDerWaalsContact CD-CG 3.43Å |
| 10 | A | 86.9 | Confident | 85.3 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D6 V12 R13 E14 P96 | D6-A10 WeakPolarHBondContact O-CB 3.34Å; D6-A10 PolarHBondContact O-N 2.75Å; D6-A10 VanDerWaalsContact O-N 3.09Å; A10-V12 VanDerWaalsContact C-N 3.33Å; A10-V12 PolarHBondContact O-N 3.29Å; A10-R13 WeakPolarHBondContact O-CB 3.18Å; A10-R13 PolarHBondContact O-N 3.05Å; A10-R13 VanDerWaalsContact O-N 3.14Å; A10-E14 PolarHBondContact O-N 3.28Å; A10-P96 HydrophobicContact CB-CG 3.74Å |
| 11 | L | 90 | Very high | 85.5 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.6 | -42.5 | 176.1 | 172.8 | 153.5 | 0 | 0 | 0 | 112.6 | V7 T8 E14 L15 V93 V115 V158 L204 A205 | V7-L11 VanDerWaalsContact O-CB 3.24Å; V7-L11 WeakPolarHBondContact O-CB 3.24Å; V7-L11 PolarHBondContact O-N 3.32Å; T8-L11 PolarHBondContact O-N 3.16Å; L11-E14 PolarHBondContact O-N 2.88Å; L11-L15 HydrophobicContact CD1-CD1 4.49Å; L11-L15 HydrophobicContact CD2-CD1 3.62Å; L11-L15 HydrophobicContact CD2-CG 4.44Å; L11-L15 HydrophobicContact CG-CD1 3.81Å; L11-L15 HydrophobicContact CG-CG 4.37Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.41Å; L11-V93 HydrophobicContact CB-CG1 4.12Å; L11-V93 HydrophobicContact CD1-CG1 4.43Å; L11-V93 HydrophobicContact CG-CG1 4.03Å; L11-V115 HydrophobicContact CD1-CG1 3.95Å; L11-V158 HydrophobicContact CD2-CG1 4.31Å; L11-L204 HydrophobicContact CD1-CB 4.11Å; L11-L204 HydrophobicContact CD1-CD1 3.62Å; L11-A205 HydrophobicContact CD2-CB 3.97Å |
| 12 | V | 89.1 | Confident | 86.2 | Confident | 17 Ų | 17 | 41.2 Ų | 41.2 | 10% | 0.103 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.7 | -40.3 | 177.8 | 166.4 | 0 | 0 | 0 | 0 | 111.5 | T8 R9 A10 E14 N16 L21 P23 A205 | T8-V12 WeakPolarHBondContact O-CG2 3.38Å; T8-V12 PolarHBondContact O-N 3.47Å; R9-V12 PolarHBondContact O-N 3.45Å; A10-V12 VanDerWaalsContact C-N 3.33Å; A10-V12 PolarHBondContact O-N 3.29Å; V12-E14 VanDerWaalsContact C-N 3.3Å; V12-E14 PolarHBondContact O-N 3.35Å; V12-N16 CarbonylContact O-C 3.3Å; V12-N16 PolarHBondContact O-N 3.1Å; V12-L21 HydrophobicContact CG1-CB 4.2Å; V12-L21 HydrophobicContact CG1-CG 4.49Å; V12-L21 VanDerWaalsContact CG1-O 3.26Å; V12-L21 WeakPolarHBondContact CG1-O 3.3Å; V12-L21 HydrophobicContact CG2-CD2 3.95Å; V12-L21 HydrophobicContact CG2-CG 4.01Å; V12-P23 HydrophobicContact CG2-CB 3.83Å; V12-P23 HydrophobicContact CG2-CG 4.43Å; V12-A205 HydrophobicContact CG2-CB 3.59Å |
| 13 | R | 86.4 | Confident | 86.9 | Confident | 73 Ų | 73 | 39.1 Ų | 39.1 | 28% | 0.275 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62 | -37.1 | 176.4 | -85.7 | 178.1 | 40.4 | -107.1 | -1.1 | 112.5 | R9 A10 D378 D424 | R9-R13 PolarHBondContact O-N 2.54Å; R9-R13 VanDerWaalsContact O-N 3.14Å; A10-R13 WeakPolarHBondContact O-CB 3.18Å; A10-R13 PolarHBondContact O-N 3.05Å; A10-R13 VanDerWaalsContact O-N 3.14Å; R13-D378 PolarHBondContact NH2-O 3.44Å; R13-D424 IonicContact CZ-OD1 3.1Å; R13-D424 IonicContact NH1-OD1 2.72Å; R13-D424 PolarHBondContact NH1-OD1 3.4Å; R13-D424 IonicContact NH2-OD1 2.77Å |
| 14 | E | 87.1 | Confident | 87.3 | Confident | 90 Ų | 90 | 39.1 Ų | 39.1 | 42% | 0.421 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -75.7 | -49 | 177.6 | -170.3 | -179.9 | 152.5 | 0 | 0 | 112.2 | A10 L11 V12 V93 E94 | A10-E14 PolarHBondContact O-N 3.28Å; L11-E14 PolarHBondContact O-N 2.88Å; V12-E14 VanDerWaalsContact C-N 3.3Å; V12-E14 PolarHBondContact O-N 3.35Å; E14-V93 HydrophobicContact CB-CG1 4.17Å; E14-V93 HydrophobicContact CG-CG1 4.31Å; E14-V93 WeakPolarHBondContact OE2-CG1 3.41Å; E14-E94 PolarHBondContact OE2-N 2.86Å |
| 15 | L | 86.5 | Confident | 87.2 | Confident | 53 Ų | 53 | 41.2 Ų | 41.2 | 28% | 0.277 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -76.4 | -33.1 | -174 | -69.9 | -178.2 | 0 | 0 | 0 | 113.9 | L11 L21 V93 V115 V158 | L11-L15 HydrophobicContact CD1-CD1 4.49Å; L11-L15 HydrophobicContact CD2-CD1 3.62Å; L11-L15 HydrophobicContact CD2-CG 4.44Å; L11-L15 HydrophobicContact CG-CD1 3.81Å; L11-L15 HydrophobicContact CG-CG 4.37Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.41Å; L15-L21 HydrophobicContact CB-CD2 4.5Å; L15-V93 HydrophobicContact CD1-CG2 4.25Å; L15-V93 HydrophobicContact CD2-CG2 3.77Å; L15-V93 HydrophobicContact CG-CG2 4.09Å; L15-V115 HydrophobicContact CD1-CG2 4.26Å; L15-V158 HydrophobicContact CD1-CG1 3.96Å; L15-V158 HydrophobicContact CD1-CG2 4.28Å |
| 16 | N | 86.1 | Confident | 87.3 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 24% | 0.235 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -143.5 | 64.6 | -174.7 | -163.8 | -142.2 | 0 | 0 | 0 | 111.7 | V12 R18 G19 D20 L21 R207 | V12-N16 CarbonylContact O-C 3.3Å; V12-N16 PolarHBondContact O-N 3.1Å; N16-R18 PolarHBondContact O-N 2.94Å; N16-G19 PolarHBondContact O-N 2.67Å; N16-G19 WeakPolarHBondContact OD1-CA 3.38Å; N16-D20 PolarHBondContact OD1-N 3.29Å; N16-L21 HydrophobicContact CB-CB 3.85Å; N16-L21 HydrophobicContact CB-CD2 4.03Å; N16-L21 WeakPolarHBondContact OD1-CB 3.35Å; N16-L21 PolarHBondContact OD1-N 3.1Å; N16-R207 PolarHBondContact OD1-NH2 3.09Å |
| 17 | P | 81.8 | Confident | 87.5 | Confident | 89 Ų | 89 | 42.3 Ų | 42.3 | 58% | 0.578 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 124.6 | -177.7 | 24.3 | -33.9 | 0 | 0 | 0 | 110.6 | G19 | P17-G19 PolarHBondContact O-N 2.69Š|
| 18 | R | 74.1 | Confident | 87.6 | Confident | 198 Ų | 198 | 47.9 Ų | 47.9 | 75% | 0.747 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 23.5 | -178.3 | -46.2 | -177.5 | 76.8 | -165.9 | 4.3 | 114.4 | N16 | N16-R18 PolarHBondContact O-N 2.94Š|
| 19 | G | 81.2 | Confident | 87.5 | Confident | 39 Ų | 39 | 50.5 Ų | 50.5 | 40% | 0.402 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -96.9 | -170.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N16 P17 | N16-G19 PolarHBondContact O-N 2.67Å; N16-G19 WeakPolarHBondContact OD1-CA 3.38Å; P17-G19 PolarHBondContact O-N 2.69Å |
| 20 | D | 84.1 | Confident | 87.6 | Confident | 107 Ų | 107 | 50.2 Ų | 50.2 | 57% | 0.572 | 26% | 0.261 | S | S | * | . | trans | -103.5 | 13.4 | -176 | 56.5 | -51.4 | 0 | 0 | 0 | 113.4 | N16 T22 R207 | N16-D20 PolarHBondContact OD1-N 3.29Å; D20-T22 PolarHBondContact O-N 3.03Å; D20-R207 IonicContact OD1-CZ 3.95Å; D20-R207 IonicContact OD1-NH1 2.75Å; D20-R207 PolarHBondContact OD1-NH1 3.34Å; D20-R207 IonicContact OD2-NH1 3.27Å; D20-R207 PolarHBondContact OD2-NH1 3.41Å | ||
| 21 | L | 89.6 | Confident | 87.8 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 126.1 | 171.4 | -173.1 | 66.8 | 0 | 0 | 0 | 109.6 | V12 L15 N16 V158 A205 R207 | V12-L21 HydrophobicContact CG1-CB 4.2Å; V12-L21 HydrophobicContact CG1-CG 4.49Å; V12-L21 VanDerWaalsContact CG1-O 3.26Å; V12-L21 WeakPolarHBondContact CG1-O 3.3Å; V12-L21 HydrophobicContact CG2-CD2 3.95Å; V12-L21 HydrophobicContact CG2-CG 4.01Å; L15-L21 HydrophobicContact CB-CD2 4.5Å; N16-L21 HydrophobicContact CB-CB 3.85Å; N16-L21 HydrophobicContact CB-CD2 4.03Å; N16-L21 WeakPolarHBondContact OD1-CB 3.35Å; N16-L21 PolarHBondContact OD1-N 3.1Å; L21-V158 HydrophobicContact CD1-CG2 4.42Å; L21-V158 HydrophobicContact CD2-CG2 4.27Å; L21-A205 HydrophobicContact CD1-CB 4.07Å; L21-A205 HydrophobicContact CD2-CB 3.96Å; L21-A205 HydrophobicContact CG-CB 3.85Å; L21-R207 HydrophobicContact CD1-CB 4.22Å |
| 22 | T | 92.1 | Very high | 88 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 9% | 0.092 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 123.4 | -175.2 | -57.6 | 0 | 0 | 0 | 0 | 110.6 | D20 R52 Y53 A205 Y206 | D20-T22 PolarHBondContact O-N 3.03Å; T22-R52 HydrophobicContact CG2-CB 3.74Å; T22-R52 HydrophobicContact CG2-CG 4.46Å; T22-Y53 HydrophobicContact CG2-CD2 4.25Å; T22-A205 CarbonylContact O-C 3.51Å; T22-A205 VanDerWaalsContact O-CA 3.24Å; T22-A205 WeakPolarHBondContact O-CA 3.31Å; T22-A205 WeakPolarHBondContact O-CB 3.4Å; T22-Y206 WeakPolarHBondContact CA-O 3.35Å; T22-Y206 WeakPolarHBondContact CB-O 3.24Å; T22-Y206 HydrophobicContact CG2-CE1 4.05Å; T22-Y206 HydrophobicContact CG2-CE2 4.1Å; T22-Y206 PolarHBondContact N-O 3.41Å; T22-Y206 PolarHBondContact O-N 3.43Å |
| 23 | P | 93.1 | Very high | 88.3 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 143.5 | 174.8 | 29.1 | -32.2 | 0 | 0 | 0 | 110.7 | R9 V12 | R9-P23 HydrophobicContact CG-CB 3.94Å; R9-P23 HydrophobicContact CG-CG 3.85Å; V12-P23 HydrophobicContact CG2-CB 3.83Å; V12-P23 HydrophobicContact CG2-CG 4.43Å |
| 24 | L | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 129.9 | 173.4 | -168.4 | 68.3 | 0 | 0 | 0 | 110.2 | F4 T8 S26 F30 F33 V203 L204 Y206 | F4-L24 HydrophobicContact CE1-CB 4.18Å; F4-L24 HydrophobicContact CE1-CD2 4.25Å; F4-L24 HydrophobicContact CE1-CG 4.22Å; F4-L24 WeakPolarHBondContact CE1-O 3.43Å; F4-L24 HydrophobicContact CZ-CD2 4.38Å; T8-L24 WeakPolarHBondContact CB-O 3.12Å; T8-L24 WeakPolarHBondContact CG2-O 2.93Å; T8-L24 PolarHBondContact OG1-O 3.07Å; L24-S26 VanDerWaalsContact CD2-O 3.29Å; L24-S26 WeakPolarHBondContact CD2-O 3.3Å; L24-S26 WeakPolarHBondContact CG-O 3.1Å; L24-F30 HydrophobicContact CD2-CB 3.8Å; L24-F33 HydrophobicContact CD1-CB 4.46Å; L24-F33 HydrophobicContact CD1-CD1 4.2Å; L24-F33 HydrophobicContact CD1-CD2 3.6Å; L24-F33 HydrophobicContact CD1-CE1 4.33Å; L24-F33 HydrophobicContact CD1-CE2 3.76Å; L24-F33 HydrophobicContact CD1-CG 3.83Å; L24-F33 HydrophobicContact CD1-CZ 4.12Å; L24-V203 HydrophobicContact CD2-CB 4.45Å; L24-V203 VanDerWaalsContact CD2-O 3.23Å; L24-V203 WeakPolarHBondContact CD2-O 3.24Å; L24-L204 WeakPolarHBondContact CB-O 3.34Å; L24-L204 PolarHBondContact N-O 2.86Å; L24-Y206 HydrophobicContact CB-CE1 4.44Å; L24-Y206 HydrophobicContact CD1-CD1 4.37Å; L24-Y206 HydrophobicContact CD1-CE1 3.83Å |
| 25 | D | 87.3 | Confident | 88.8 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -85.5 | -21.5 | -175.3 | 63.8 | -54.6 | 0 | 0 | 0 | 113.5 | M1 | M1-D25 PolarHBondContact N-O 3.01Š|
| 26 | S | 89 | Confident | 89.1 | Confident | 18 Ų | 18 | 53 Ų | 53 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | trans | -150.6 | 138.5 | -177.5 | -170.8 | 0 | 0 | 0 | 0 | 112.5 | L24 I28 | L24-S26 VanDerWaalsContact CD2-O 3.29Å; L24-S26 WeakPolarHBondContact CD2-O 3.3Å; L24-S26 WeakPolarHBondContact CG-O 3.1Å; S26-I28 WeakPolarHBondContact OG-CG1 3.37Å | ||
| 27 | L | 90.7 | Very high | 89.5 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 14% | 0.141 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -82.2 | -9.3 | 178.2 | 66.6 | 84.9 | 0 | 0 | 0 | 114 | M1 F4 D29 F30 V196 | M1-L27 HydrophobicContact CE-CD1 4.35Å; M1-L27 HydrophobicContact CE-CD2 4.45Å; M1-L27 HydrophobicContact CE-CG 4.19Å; M1-L27 HydrophobicContact SD-CD1 4.45Å; M1-L27 HydrophobicContact SD-CD2 4.01Å; M1-L27 HydrophobicContact SD-CG 3.69Å; F4-L27 HydrophobicContact CD2-CB 4.34Å; F4-L27 HydrophobicContact CD2-CD2 4.1Å; F4-L27 HydrophobicContact CE1-CB 4.21Å; F4-L27 HydrophobicContact CE2-CB 3.99Å; F4-L27 HydrophobicContact CE2-CD2 4.38Å; F4-L27 HydrophobicContact CZ-CB 3.92Å; L27-D29 PolarHBondContact O-N 3.31Å; L27-D29 VanDerWaalsContact O-N 3.09Å; L27-F30 HydrophobicContact CB-CD1 4.44Å; L27-F30 WeakPolarHBondContact O-CD1 3.33Å; L27-F30 PolarHBondContact O-N 3.38Å; L27-V196 HydrophobicContact CD2-CG1 3.15Å |
| 28 | I | 90.3 | Very high | 90.1 | Very high | 119 Ų | 119 | 47.2 Ų | 47.2 | 61% | 0.61 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -34.9 | -173.5 | 60.3 | -177.2 | 0 | 0 | 0 | 112.9 | M1 S26 | M1-I28 HydrophobicContact CE-CG2 4.42Å; S26-I28 WeakPolarHBondContact OG-CG1 3.37Å |
| 29 | D | 89.3 | Confident | 91.1 | Very high | 54 Ų | 54 | 37.8 Ų | 37.8 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 21.5 | -173.8 | -72.9 | -49.5 | 0 | 0 | 0 | 112.6 | L27 K31 H32 F33 R55 | L27-D29 PolarHBondContact O-N 3.31Å; L27-D29 VanDerWaalsContact O-N 3.09Å; D29-K31 PolarHBondContact O-N 3.28Å; D29-H32 PolarHBondContact O-N 2.83Å; D29-F33 HydrophobicContact CB-CE2 4.48Å; D29-F33 WeakPolarHBondContact O-CD2 3.44Å; D29-R55 IonicContact OD1-CZ 3.97Å; D29-R55 IonicContact OD1-NH1 3.17Å; D29-R55 PolarHBondContact OD1-NH1 3.37Å |
| 30 | F | 92.1 | Very high | 91.4 | Very high | 23 Ų | 23 | 37 Ų | 37 | 10% | 0.101 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -53.9 | -28.4 | -174.4 | 76.2 | -109.3 | 0 | 0 | 0 | 113.2 | L24 L27 H32 F33 P199 C202 V203 | L24-F30 HydrophobicContact CD2-CB 3.8Å; L27-F30 HydrophobicContact CB-CD1 4.44Å; L27-F30 WeakPolarHBondContact O-CD1 3.33Å; L27-F30 PolarHBondContact O-N 3.38Å; F30-H32 PolarHBondContact O-N 3.34Å; F30-F33 PolarHBondContact O-N 2.93Å; F30-F33 VanDerWaalsContact O-N 3.16Å; F30-P199 HydrophobicContact CE1-CG 4.34Å; F30-C202 HydrophobicContact CD1-CB 4.33Å; F30-C202 VanDerWaalsContact CD1-SG 3.58Å; F30-C202 HydrophobicContact CD2-CB 4.48Å; F30-C202 HydrophobicContact CE1-CB 4.45Å; F30-C202 HydrophobicContact CG-CB 4.41Å; F30-V203 HydrophobicContact CB-CB 4.21Å; F30-V203 HydrophobicContact CD2-CG2 4.45Å; F30-V203 WeakPolarHBondContact O-CG2 3.35Å |
| 31 | K | 92 | Very high | 91.6 | Very high | 137 Ų | 137 | 35.7 Ų | 35.7 | 60% | 0.596 | 17% | 0.171 | S | C | * | . | G | 310 helix | trans | -65.2 | -26.1 | 179.3 | -63.8 | -177.8 | -174.1 | 175.8 | 0 | 113.1 | D29 F33 | D29-K31 PolarHBondContact O-N 3.28Å; K31-F33 VanDerWaalsContact C-N 3.26Å |
| 32 | H | 93.4 | Very high | 91.4 | Very high | 54 Ų | 54 | 37 Ų | 37 | 25% | 0.25 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -85.5 | 3.8 | 177.7 | -70.8 | -91.2 | 0 | 0 | 0 | 113.3 | D29 F30 C37 R55 T56 | D29-H32 PolarHBondContact O-N 2.83Å; F30-H32 PolarHBondContact O-N 3.34Å; H32-C37 WeakPolarHBondContact O-CB 3.3Å; H32-R55 HydrophobicContact CB-CB 3.71Å; H32-R55 PolarHBondContact CD2-NH1 3.21Å; H32-R55 VanDerWaalsContact CE1-CZ 3.47Å; H32-R55 PolarHBondContact CE1-NH2 2.89Å; H32-R55 PolarHBondContact ND1-NH2 3.3Å; H32-R55 PolarHBondContact NE2-NH1 3.2Å; H32-R55 VanDerWaalsContact NE2-NH1 3.17Å; H32-R55 PolarHBondContact NE2-NH2 3.24Å; H32-T56 PolarHBondContact ND1-O 2.77Å |
| 33 | F | 94.2 | Very high | 91 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 5% | 0.048 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -116.8 | 23.7 | 174 | -64 | -88.4 | 0 | 0 | 0 | 111.6 | L24 D29 F30 K31 V39 R55 V203 Y206 | L24-F33 HydrophobicContact CD1-CB 4.46Å; L24-F33 HydrophobicContact CD1-CD1 4.2Å; L24-F33 HydrophobicContact CD1-CD2 3.6Å; L24-F33 HydrophobicContact CD1-CE1 4.33Å; L24-F33 HydrophobicContact CD1-CE2 3.76Å; L24-F33 HydrophobicContact CD1-CG 3.83Å; L24-F33 HydrophobicContact CD1-CZ 4.12Å; D29-F33 HydrophobicContact CB-CE2 4.48Å; D29-F33 WeakPolarHBondContact O-CD2 3.44Å; F30-F33 PolarHBondContact O-N 2.93Å; F30-F33 VanDerWaalsContact O-N 3.16Å; K31-F33 VanDerWaalsContact C-N 3.26Å; F33-V39 HydrophobicContact CD1-CG1 3.88Å; F33-V39 HydrophobicContact CE1-CG1 3.85Å; F33-R55 HydrophobicContact CE2-CB 4.27Å; F33-R55 HydrophobicContact CZ-CB 4.32Å; F33-V203 HydrophobicContact CB-CG1 4.21Å; F33-Y206 HydrophobicContact CB-CD1 4.04Å; F33-Y206 HydrophobicContact CB-CE1 4.42Å; F33-Y206 HydrophobicContact CB-CG 4.3Å; F33-Y206 AromaticContact CD1-CD1 3.91Å; F33-Y206 HydrophobicContact CD1-CD1 3.91Å; F33-Y206 HydrophobicContact CD1-CD2 4.19Å; F33-Y206 AromaticContact CD1-CE1 3.5Å; F33-Y206 HydrophobicContact CD1-CE1 3.5Å; F33-Y206 AromaticContact CD1-CE2 3.8Å; F33-Y206 HydrophobicContact CD1-CE2 3.8Å; F33-Y206 HydrophobicContact CD1-CG 4.24Å; F33-Y206 AromaticContact CD1-CZ 3.44Å; F33-Y206 VanDerWaalsContact CD1-CZ 3.44Å; F33-Y206 AromaticContact CE1-CE1 3.98Å; F33-Y206 HydrophobicContact CE1-CE1 3.98Å; F33-Y206 HydrophobicContact CE1-CE2 4.22Å; F33-Y206 AromaticContact CE1-CZ 3.65Å; F33-Y206 WeakPolarHBondContact CE1-OH 3.45Å; F33-Y206 HydrophobicContact CG-CD1 4.25Å; F33-Y206 HydrophobicContact CG-CE1 4.13Å |
| 34 | R | 93.4 | Very high | 90.6 | Very high | 93 Ų | 93 | 40.9 Ų | 40.9 | 35% | 0.351 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -81.1 | 161.7 | 173.7 | -77 | -176.7 | 166.9 | -177.8 | 0.6 | 111.2 | F36 C37 V154 E159 G201 V203 | R34-F36 PolarHBondContact O-N 3.4Å; R34-C37 WeakPolarHBondContact O-CB 3.46Å; R34-C37 PolarHBondContact O-N 2.9Å; R34-C37 PolarHBondContact O-SG 3.04Å; R34-V154 VanDerWaalsContact O-CB 3.3Å; R34-V154 WeakPolarHBondContact O-CB 3.49Å; R34-E159 IonicContact NE-OE1 3.81Å; R34-E159 PolarHBondContact NE-OE1 3.29Å; R34-G201 PolarHBondContact NH2-O 3.45Å; R34-V203 HydrophobicContact CG-CG2 3.82Å |
| 35 | P | 92.6 | Very high | 90.3 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 140.8 | 174 | -29.3 | 37.9 | 0 | 0 | 0 | 112.3 | C37 L85 L118 V120 V154 A157 | P35-C37 VanDerWaalsContact C-N 3.26Å; P35-C37 PolarHBondContact O-N 3.44Å; P35-L85 HydrophobicContact CB-CD1 4.22Å; P35-L85 HydrophobicContact CB-CD2 3.46Å; P35-L85 VanDerWaalsContact CB-CD2 3.46Å; P35-L85 HydrophobicContact CG-CD1 4.28Å; P35-L85 HydrophobicContact CG-CD2 4.03Å; P35-L118 HydrophobicContact CG-CB 3.91Å; P35-V120 HydrophobicContact CB-CG2 3.99Å; P35-V154 WeakPolarHBondContact CA-O 3.27Å; P35-A157 HydrophobicContact CG-CB 4.13Å |
| 36 | F | 91.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | -11.4 | -170.5 | -57.7 | -71 | 0 | 0 | 0 | 117.2 | R34 T59 L60 F81 M84 L85 V120 L128 V154 | R34-F36 PolarHBondContact O-N 3.4Å; F36-T59 CarbonylContact O-C 3.39Å; F36-T59 VanDerWaalsContact O-CA 3.29Å; F36-T59 WeakPolarHBondContact O-CA 3.38Å; F36-T59 WeakPolarHBondContact O-CB 3.46Å; F36-L60 HydrophobicContact CD1-CB 4.36Å; F36-L60 HydrophobicContact CD1-CD2 4.1Å; F36-L60 HydrophobicContact CE1-CD2 4.5Å; F36-L60 PolarHBondContact O-N 2.81Å; F36-F81 HydrophobicContact CD2-CD1 4.32Å; F36-F81 HydrophobicContact CD2-CE1 4.39Å; F36-M84 HydrophobicContact CE2-CB 3.99Å; F36-M84 HydrophobicContact CE2-SD 4.49Å; F36-M84 HydrophobicContact CZ-CB 4.06Å; F36-M84 HydrophobicContact CZ-SD 4.25Å; F36-L85 HydrophobicContact CD2-CD2 4.32Å; F36-L85 HydrophobicContact CE2-CD2 3.86Å; F36-V120 HydrophobicContact CD1-CG2 4.25Å; F36-V120 HydrophobicContact CD2-CG2 4.33Å; F36-V120 HydrophobicContact CE1-CG1 3.7Å; F36-V120 HydrophobicContact CE1-CG2 3.94Å; F36-V120 HydrophobicContact CE2-CG1 4.41Å; F36-V120 HydrophobicContact CE2-CG2 4.02Å; F36-V120 HydrophobicContact CG-CG2 4.45Å; F36-V120 HydrophobicContact CZ-CB 4.29Å; F36-V120 HydrophobicContact CZ-CG1 3.53Å; F36-V120 HydrophobicContact CZ-CG2 3.83Å; F36-L128 HydrophobicContact CE1-CD1 4.07Å; F36-L128 HydrophobicContact CZ-CD1 4.46Å; F36-V154 PolarHBondContact N-O 2.83Å |
| 37 | C | 94.6 | Very high | 90 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 8% | 0.081 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 143.7 | 174.3 | -67.1 | 0 | 0 | 0 | 0 | 111.3 | H32 R34 P35 V154 | H32-C37 WeakPolarHBondContact O-CB 3.3Å; R34-C37 WeakPolarHBondContact O-CB 3.46Å; R34-C37 PolarHBondContact O-N 2.9Å; R34-C37 PolarHBondContact O-SG 3.04Å; P35-C37 VanDerWaalsContact C-N 3.26Å; P35-C37 PolarHBondContact O-N 3.44Å; C37-V154 HydrophobicContact CB-CG2 4.32Å; C37-V154 PolarHBondContact O-N 3.48Å |
| 38 | L | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 134.9 | 174.9 | -61.9 | 171.2 | 0 | 0 | 0 | 110 | T56 Y58 L63 F140 Y152 V153 | L38-T56 WeakPolarHBondContact CB-OG1 3.38Å; L38-T56 WeakPolarHBondContact O-CB 3.09Å; L38-T56 WeakPolarHBondContact O-CG2 3.27Å; L38-T56 PolarHBondContact O-N 3.41Å; L38-T56 PolarHBondContact O-OG1 2.98Å; L38-Y58 WeakPolarHBondContact CB-O 3.39Å; L38-Y58 PolarHBondContact N-O 2.88Å; L38-L63 HydrophobicContact CD1-CD1 3.31Å; L38-L63 HydrophobicContact CD1-CD2 4.32Å; L38-L63 HydrophobicContact CD1-CG 3.69Å; L38-F140 HydrophobicContact CD1-CE1 4.44Å; L38-Y152 WeakPolarHBondContact CA-O 3.36Å; L38-V153 HydrophobicContact CD2-CB 4.36Å; L38-V153 HydrophobicContact CD2-CG2 3.49Å; L38-V153 VanDerWaalsContact CD2-CG2 3.49Å |
| 39 | V | 94.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 151.6 | 178.6 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | F33 Y53 V54 Y152 V154 V208 | F33-V39 HydrophobicContact CD1-CG1 3.88Å; F33-V39 HydrophobicContact CE1-CG1 3.85Å; V39-Y53 HydrophobicContact CG2-CD1 3.8Å; V39-Y53 HydrophobicContact CG2-CG 3.92Å; V39-V54 WeakPolarHBondContact CA-O 3.45Å; V39-V54 WeakPolarHBondContact CB-O 3.28Å; V39-Y152 PolarHBondContact N-O 3.34Å; V39-Y152 PolarHBondContact O-N 3.03Å; V39-V154 HydrophobicContact CG1-CG2 4.2Å; V39-V208 HydrophobicContact CG2-CG1 3.85Å |
| 40 | L | 89.2 | Confident | 89.4 | Confident | 23 Ų | 23 | 33.6 Ų | 33.6 | 12% | 0.12 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 145.8 | 176 | -62.2 | 175.2 | 0 | 0 | 0 | 109.5 | K42 Y53 V54 T56 M144 N150 L151 | L40-K42 PolarHBondContact O-N 2.77Å; L40-Y53 CarbonylContact O-C 3.54Å; L40-Y53 WeakPolarHBondContact O-CA 3.38Å; L40-Y53 WeakPolarHBondContact O-CB 3.47Å; L40-V54 HydrophobicContact CB-CG2 3.8Å; L40-V54 PolarHBondContact N-O 3.48Å; L40-V54 PolarHBondContact O-N 3.22Å; L40-T56 HydrophobicContact CD1-CG2 4.22Å; L40-T56 HydrophobicContact CG-CG2 3.86Å; L40-M144 HydrophobicContact CD1-SD 4.24Å; L40-M144 HydrophobicContact CD2-SD 4.09Å; L40-N150 WeakPolarHBondContact CD2-O 3.21Å; L40-L151 HydrophobicContact CD2-CD2 3.45Å; L40-L151 VanDerWaalsContact CD2-CD2 3.45Å |
| 41 | R | 86.8 | Confident | 88.9 | Confident | 78 Ų | 78 | 33.2 Ų | 33.2 | 29% | 0.294 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 125 | 170.8 | -175.2 | 77 | 72.7 | -178.2 | 2 | 108.4 | R43 Y53 Y152 | R41-R43 PolarHBondContact O-N 2.79Å; R41-Y53 HydrophobicContact CB-CD1 4.44Å; R41-Y53 HydrophobicContact CB-CE1 4.45Å; R41-Y53 VanDerWaalsContact CZ-CZ 3.46Å; R41-Y53 PolarHBondContact NH1-OH 2.93Å; R41-Y53 PolarHBondContact NH2-OH 2.85Å; R41-Y53 VanDerWaalsContact NH2-OH 3.14Å; R41-Y152 HydrophobicContact CB-CE2 3.94Å |
| 42 | K | 85.6 | Confident | 88.5 | Confident | 39 Ų | 39 | 27.8 Ų | 27.8 | 17% | 0.17 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 132.3 | 174 | -176.3 | -177.9 | 179.3 | -177.8 | 0 | 108.9 | L40 K44 S45 A51 R52 V54 E301 E305 | L40-K42 PolarHBondContact O-N 2.77Å; K42-K44 PolarHBondContact O-N 3.04Å; K42-S45 VanDerWaalsContact O-CB 3.31Å; K42-S45 WeakPolarHBondContact O-CB 3.43Å; K42-S45 PolarHBondContact O-N 3.23Å; K42-S45 PolarHBondContact O-OG 2.96Å; K42-A51 HydrophobicContact CD-CB 4.38Å; K42-A51 WeakPolarHBondContact CD-O 3.48Å; K42-R52 PolarHBondContact N-O 3.11Å; K42-V54 HydrophobicContact CB-CG1 3.96Å; K42-V54 HydrophobicContact CG-CG1 4.09Å; K42-E301 IonicContact NZ-OE1 2.67Å; K42-E301 PolarHBondContact NZ-OE1 3.37Å; K42-E305 WeakPolarHBondContact CE-OE1 3.49Å; K42-E305 WeakPolarHBondContact CG-OE1 3.43Å |
| 43 | R | 84.6 | Confident | 88.3 | Confident | 54 Ų | 54 | 26 Ų | 26 | 20% | 0.204 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 133 | -176.4 | -179.7 | 175.5 | -169.5 | 107.7 | 5.6 | 109.2 | R41 S45 E305 L308 D309 D331 L334 | R41-R43 PolarHBondContact O-N 2.79Å; R43-S45 PolarHBondContact O-N 2.84Å; R43-S45 VanDerWaalsContact O-N 3.09Å; R43-E305 HydrophobicContact CB-CG 4.44Å; R43-L308 PolarHBondContact NH1-O 2.93Å; R43-D309 WeakPolarHBondContact CD-OD1 3.29Å; R43-D309 IonicContact NH1-OD1 2.78Å; R43-D331 IonicContact CZ-OD1 2.64Å; R43-D331 IonicContact CZ-OD2 3.61Å; R43-D331 IonicContact NE-OD1 3.5Å; R43-D331 PolarHBondContact NE-OD1 3.32Å; R43-D331 IonicContact NE-OD2 3.7Å; R43-D331 VanDerWaalsContact NH2-CG 3.26Å; R43-D331 IonicContact NH2-OD1 3.45Å; R43-D331 PolarHBondContact NH2-OD1 3.48Å; R43-D331 IonicContact NH2-OD2 3.4Å; R43-D331 PolarHBondContact NH2-OD2 3.09Å; R43-L334 HydrophobicContact CB-CD2 4.34Å; R43-L334 HydrophobicContact CG-CD2 3.97Å |
| 44 | K | 85.3 | Confident | 88.1 | Confident | 65 Ų | 65 | 27.9 Ų | 27.9 | 28% | 0.283 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 28.7 | -177 | -57.6 | -64.8 | -68.2 | -167.8 | 0 | 113.5 | K42 E268 D331 L334 | K42-K44 PolarHBondContact O-N 3.04Å; K44-E268 WeakPolarHBondContact CE-OE2 3.45Å; K44-E268 IonicContact NZ-OE1 3.39Å; K44-E268 PolarHBondContact NZ-OE1 2.79Å; K44-E268 IonicContact NZ-OE2 2.61Å; K44-E268 PolarHBondContact NZ-OE2 3.14Å; K44-D331 HydrophobicContact CD-CB 3.87Å; K44-D331 WeakPolarHBondContact CE-O 3.3Å; K44-D331 HydrophobicContact CG-CB 4.1Å; K44-D331 WeakPolarHBondContact CG-O 3.5Å; K44-L334 HydrophobicContact CB-CD2 4.47Å; K44-L334 HydrophobicContact CG-CD2 4.35Å |
| 45 | S | 85.4 | Confident | 88 | Confident | 22 Ų | 22 | 27.2 Ų | 27.2 | 15% | 0.154 | 13% | 0.13 | C | C | . | . | trans | -68.8 | 155.9 | 169.5 | 54.8 | 0 | 0 | 0 | 0 | 111.8 | K42 R43 R52 | K42-S45 VanDerWaalsContact O-CB 3.31Å; K42-S45 WeakPolarHBondContact O-CB 3.43Å; K42-S45 PolarHBondContact O-N 3.23Å; K42-S45 PolarHBondContact O-OG 2.96Å; R43-S45 PolarHBondContact O-N 2.84Å; R43-S45 VanDerWaalsContact O-N 3.09Å; S45-R52 VanDerWaalsContact C-NH1 3.27Å; S45-R52 PolarHBondContact O-NH1 3.03Å; S45-R52 PolarHBondContact OG-NH1 3.37Å; S45-R52 PolarHBondContact OG-O 3.04Å | ||
| 46 | T | 85.6 | Confident | 88 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | trans | -121.4 | 170.2 | 176.1 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | F48 W49 E264 | T46-F48 HydrophobicContact CG2-CB 4.41Å; T46-F48 WeakPolarHBondContact OG1-CD2 3.24Å; T46-F48 PolarHBondContact OG1-N 2.84Å; T46-W49 HydrophobicContact CG2-CD2 3.41Å; T46-W49 VanDerWaalsContact CG2-CD2 3.41Å; T46-W49 HydrophobicContact CG2-CE3 3.81Å; T46-W49 HydrophobicContact CG2-CG 3.8Å; T46-W49 HydrophobicContact CG2-CH2 4.12Å; T46-W49 HydrophobicContact CG2-CZ2 3.74Å; T46-W49 HydrophobicContact CG2-CZ3 4.15Å; T46-W49 WeakPolarHBondContact CG2-O 3.3Å; T46-E264 WeakPolarHBondContact CB-OE1 3.48Å; T46-E264 PolarHBondContact OG1-OE1 3.46Å | ||
| 47 | L | 84.4 | Confident | 87.9 | Confident | 56 Ų | 56 | 32.8 Ų | 32.8 | 29% | 0.293 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -82.7 | -24.4 | 169.1 | -63.5 | 175.6 | 0 | 0 | 0 | 111.4 | M254 | L47-M254 HydrophobicContact CD1-CB 3.94Å; L47-M254 HydrophobicContact CD1-CG 4.34Å; L47-M254 HydrophobicContact CD1-SD 3.95Å; L47-M254 HydrophobicContact CG-SD 4.43Å |
| 48 | F | 86.9 | Confident | 87.8 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -83.1 | -18.9 | -165.9 | -56.4 | -65.2 | 0 | 0 | 0 | 114.6 | T46 E256 T260 L261 F375 H427 C430 | T46-F48 HydrophobicContact CG2-CB 4.41Å; T46-F48 WeakPolarHBondContact OG1-CD2 3.24Å; T46-F48 PolarHBondContact OG1-N 2.84Å; F48-E256 HydrophobicContact CD1-CG 4.35Å; F48-E256 HydrophobicContact CE1-CG 4.01Å; F48-T260 HydrophobicContact CE2-CG2 4.43Å; F48-T260 HydrophobicContact CZ-CG2 4.1Å; F48-L261 HydrophobicContact CB-CD1 4.25Å; F48-L261 HydrophobicContact CD1-CB 4.35Å; F48-L261 HydrophobicContact CD2-CB 3.94Å; F48-L261 HydrophobicContact CD2-CD1 3.5Å; F48-L261 HydrophobicContact CD2-CG 4.29Å; F48-L261 HydrophobicContact CE1-CB 4.03Å; F48-L261 HydrophobicContact CE2-CB 3.64Å; F48-L261 HydrophobicContact CE2-CD1 4.03Å; F48-L261 HydrophobicContact CE2-CG 4.45Å; F48-L261 HydrophobicContact CG-CB 4.31Å; F48-L261 HydrophobicContact CG-CD1 3.89Å; F48-L261 HydrophobicContact CZ-CB 3.68Å; F48-F375 AromaticContact CD1-CZ 3.75Å; F48-F375 HydrophobicContact CD1-CZ 3.75Å; F48-F375 HydrophobicContact CE1-CE1 4.13Å; F48-F375 AromaticContact CE1-CZ 3.65Å; F48-F375 HydrophobicContact CE1-CZ 3.65Å; F48-H427 VanDerWaalsContact O-CA 3.24Å; F48-H427 WeakPolarHBondContact O-CA 3.41Å; F48-H427 WeakPolarHBondContact O-CB 3.42Å; F48-C430 HydrophobicContact CB-CB 3.88Å |
| 49 | W | 86.9 | Confident | 87.7 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -162 | 167.2 | 176.2 | 63.9 | 84.5 | 0 | 0 | 0 | 112.2 | R9 T46 L261 Y335 A339 E342 C430 A431 A434 | R9-W49 VanDerWaalsContact NH2-C 3.28Å; T46-W49 HydrophobicContact CG2-CD2 3.41Å; T46-W49 VanDerWaalsContact CG2-CD2 3.41Å; T46-W49 HydrophobicContact CG2-CE3 3.81Å; T46-W49 HydrophobicContact CG2-CG 3.8Å; T46-W49 HydrophobicContact CG2-CH2 4.12Å; T46-W49 HydrophobicContact CG2-CZ2 3.74Å; T46-W49 HydrophobicContact CG2-CZ3 4.15Å; T46-W49 WeakPolarHBondContact CG2-O 3.3Å; W49-L261 HydrophobicContact CH2-CD1 4.33Å; W49-L261 HydrophobicContact CZ3-CD1 3.72Å; W49-Y335 HydrophobicContact CH2-CE1 4.15Å; W49-Y335 HydrophobicContact CH2-CE2 4.24Å; W49-Y335 AromaticContact CH2-CZ 3.6Å; W49-Y335 WeakPolarHBondContact CH2-OH 3.34Å; W49-Y335 HydrophobicContact CZ2-CE1 4.11Å; W49-Y335 AromaticContact CZ2-CE2 3.96Å; W49-Y335 HydrophobicContact CZ2-CE2 3.96Å; W49-Y335 AromaticContact CZ2-CZ 3.66Å; W49-A339 HydrophobicContact CH2-CB 4.45Å; W49-A339 HydrophobicContact CZ2-CB 3.67Å; W49-E342 HydrophobicContact CB-CG 4.15Å; W49-E342 HydrophobicContact CG-CG 4.06Å; W49-C430 HydrophobicContact CE3-CB 3.69Å; W49-C430 HydrophobicContact CZ3-CB 3.95Å; W49-A431 HydrophobicContact CB-CB 4.23Å; W49-A431 HydrophobicContact CD2-CB 4.01Å; W49-A431 HydrophobicContact CE3-CB 4.28Å; W49-A431 HydrophobicContact CG-CB 3.98Å; W49-A434 HydrophobicContact CH2-CB 3.46Å; W49-A434 VanDerWaalsContact CH2-CB 3.46Å; W49-A434 HydrophobicContact CZ2-CB 3.99Å; W49-A434 HydrophobicContact CZ3-CB 4.16Å |
| 50 | G | 84.6 | Confident | 87.6 | Confident | 10 Ų | 10 | 36.5 Ų | 36.5 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 61.3 | -170.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R9 E342 | R9-G50 PolarHBondContact NH2-O 2.76Å; G50-E342 VanDerWaalsContact CA-OE1 3.25Å; G50-E342 WeakPolarHBondContact CA-OE1 3.42Å |
| 51 | A | 81.4 | Confident | 87.5 | Confident | 15 Ų | 15 | 37 Ų | 37 | 12% | 0.124 | 18% | 0.178 | C | C | . | . | trans | -75.8 | 135 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K42 | K42-A51 HydrophobicContact CD-CB 4.38Å; K42-A51 WeakPolarHBondContact CD-O 3.48Å | ||
| 52 | R | 82.9 | Confident | 87.7 | Confident | 23 Ų | 23 | 37.3 Ų | 37.3 | 9% | 0.087 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -88.4 | -32.3 | 176.4 | -170.3 | 60.9 | 173.1 | 169.3 | -2.9 | 113.6 | T22 K42 S45 M254 | T22-R52 HydrophobicContact CG2-CB 3.74Å; T22-R52 HydrophobicContact CG2-CG 4.46Å; K42-R52 PolarHBondContact N-O 3.11Å; S45-R52 VanDerWaalsContact C-NH1 3.27Å; S45-R52 PolarHBondContact O-NH1 3.03Å; S45-R52 PolarHBondContact OG-NH1 3.37Å; S45-R52 PolarHBondContact OG-O 3.04Å; R52-M254 PolarHBondContact NH2-SD 3.49Å; R52-M254 VanDerWaalsContact NH2-SD 3.43Å |
| 53 | Y | 89.1 | Confident | 87.9 | Confident | 15 Ų | 15 | 35.5 Ų | 35.5 | 6% | 0.059 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 152.5 | -179.7 | -59.9 | -90.9 | 0 | 0 | 0 | 110.8 | T22 V39 L40 R41 Y152 Y206 V208 | T22-Y53 HydrophobicContact CG2-CD2 4.25Å; V39-Y53 HydrophobicContact CG2-CD1 3.8Å; V39-Y53 HydrophobicContact CG2-CG 3.92Å; L40-Y53 CarbonylContact O-C 3.54Å; L40-Y53 WeakPolarHBondContact O-CA 3.38Å; L40-Y53 WeakPolarHBondContact O-CB 3.47Å; R41-Y53 HydrophobicContact CB-CD1 4.44Å; R41-Y53 HydrophobicContact CB-CE1 4.45Å; R41-Y53 VanDerWaalsContact CZ-CZ 3.46Å; R41-Y53 PolarHBondContact NH1-OH 2.93Å; R41-Y53 PolarHBondContact NH2-OH 2.85Å; R41-Y53 VanDerWaalsContact NH2-OH 3.14Å; Y53-Y152 HydrophobicContact CD1-CD2 4.09Å; Y53-Y152 HydrophobicContact CD1-CG 4.31Å; Y53-Y152 AromaticContact CE1-CD1 3.97Å; Y53-Y152 HydrophobicContact CE1-CD1 3.97Å; Y53-Y152 AromaticContact CE1-CD2 3.6Å; Y53-Y152 HydrophobicContact CE1-CD2 3.6Å; Y53-Y152 HydrophobicContact CE1-CE1 4.3Å; Y53-Y152 AromaticContact CE1-CE2 3.95Å; Y53-Y152 HydrophobicContact CE1-CE2 3.95Å; Y53-Y152 AromaticContact CE1-CG 3.62Å; Y53-Y152 HydrophobicContact CE1-CG 3.62Å; Y53-Y206 AromaticContact CD2-CE2 3.84Å; Y53-Y206 HydrophobicContact CD2-CE2 3.84Å; Y53-Y206 HydrophobicContact CG-CE2 4.4Å; Y53-V208 HydrophobicContact CD2-CG2 4.5Å; Y53-V208 HydrophobicContact CE1-CG2 3.77Å; Y53-V208 HydrophobicContact CE2-CG2 3.7Å; Y53-V208 WeakPolarHBondContact OH-CG2 3.39Å |
| 54 | V | 89.8 | Confident | 88.1 | Confident | 52 Ų | 52 | 33.5 Ų | 33.5 | 32% | 0.315 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 146.2 | 174.9 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | V39 L40 K42 | V39-V54 WeakPolarHBondContact CA-O 3.45Å; V39-V54 WeakPolarHBondContact CB-O 3.28Å; L40-V54 HydrophobicContact CB-CG2 3.8Å; L40-V54 PolarHBondContact N-O 3.48Å; L40-V54 PolarHBondContact O-N 3.22Å; K42-V54 HydrophobicContact CB-CG1 3.96Å; K42-V54 HydrophobicContact CG-CG1 4.09Å |
| 55 | R | 91.8 | Very high | 88.1 | Confident | 79 Ų | 79 | 34 Ų | 34 | 30% | 0.298 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 154.9 | 178.9 | 58.9 | 169.1 | -79.6 | 170.5 | -1.3 | 112.2 | D29 H32 F33 D57 | D29-R55 IonicContact OD1-CZ 3.97Å; D29-R55 IonicContact OD1-NH1 3.17Å; D29-R55 PolarHBondContact OD1-NH1 3.37Å; H32-R55 HydrophobicContact CB-CB 3.71Å; H32-R55 PolarHBondContact CD2-NH1 3.21Å; H32-R55 VanDerWaalsContact CE1-CZ 3.47Å; H32-R55 PolarHBondContact CE1-NH2 2.89Å; H32-R55 PolarHBondContact ND1-NH2 3.3Å; H32-R55 PolarHBondContact NE2-NH1 3.2Å; H32-R55 VanDerWaalsContact NE2-NH1 3.17Å; H32-R55 PolarHBondContact NE2-NH2 3.24Å; F33-R55 HydrophobicContact CE2-CB 4.27Å; F33-R55 HydrophobicContact CZ-CB 4.32Å; R55-D57 IonicContact CZ-OD1 2.85Å; R55-D57 IonicContact NE-OD1 3.57Å; R55-D57 IonicContact NH2-OD1 2.68Å; R55-D57 PolarHBondContact NH2-OD1 3.44Å |
| 56 | T | 92.2 | Very high | 87.5 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.067 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 170.3 | 158.1 | 75.9 | 0 | 0 | 0 | 0 | 109 | H32 L38 L40 Y58 F140 | H32-T56 PolarHBondContact ND1-O 2.77Å; L38-T56 WeakPolarHBondContact CB-OG1 3.38Å; L38-T56 WeakPolarHBondContact O-CB 3.09Å; L38-T56 WeakPolarHBondContact O-CG2 3.27Å; L38-T56 PolarHBondContact O-N 3.41Å; L38-T56 PolarHBondContact O-OG1 2.98Å; L40-T56 HydrophobicContact CD1-CG2 4.22Å; L40-T56 HydrophobicContact CG-CG2 3.86Å; T56-Y58 PolarHBondContact O-N 2.73Å; T56-Y58 PolarHBondContact OG1-N 3.13Å; T56-Y58 PolarHBondContact OG1-O 3.34Å; T56-F140 HydrophobicContact CG2-CE2 4.38Å; T56-F140 HydrophobicContact CG2-CZ 3.93Å |
| 57 | D | 91.1 | Very high | 86.3 | Confident | 111 Ų | 111 | 38.9 Ų | 38.9 | 59% | 0.594 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 2.4 | 177.1 | -59.7 | -38 | 0 | 0 | 0 | 112.8 | R55 | R55-D57 IonicContact CZ-OD1 2.85Å; R55-D57 IonicContact NE-OD1 3.57Å; R55-D57 IonicContact NH2-OD1 2.68Å; R55-D57 PolarHBondContact NH2-OD1 3.44Å |
| 58 | Y | 91.6 | Very high | 84.6 | Confident | 69 Ų | 69 | 42.1 Ų | 42.1 | 27% | 0.271 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 149.8 | -171.1 | -55.8 | -78.3 | 0 | 0 | 0 | 112 | L38 T56 D62 H138 F140 | L38-Y58 WeakPolarHBondContact CB-O 3.39Å; L38-Y58 PolarHBondContact N-O 2.88Å; T56-Y58 PolarHBondContact O-N 2.73Å; T56-Y58 PolarHBondContact OG1-N 3.13Å; T56-Y58 PolarHBondContact OG1-O 3.34Å; Y58-D62 HydrophobicContact CD1-CB 4.32Å; Y58-H138 AromaticContact CD1-CE1 3.69Å; Y58-H138 AromaticContact CD1-NE2 3.68Å; Y58-H138 AromaticContact CE1-CE1 3.4Å; Y58-H138 VanDerWaalsContact CE1-CE1 3.4Å; Y58-H138 WeakPolarHBondContact CE1-CE1 3.23Å; Y58-H138 AromaticContact CE1-NE2 3.66Å; Y58-H138 AromaticContact CZ-CE1 3.84Å; Y58-F140 HydrophobicContact CD2-CB 3.99Å; Y58-F140 AromaticContact CD2-CD1 3.54Å; Y58-F140 HydrophobicContact CD2-CD1 3.54Å; Y58-F140 AromaticContact CD2-CD2 3.82Å; Y58-F140 HydrophobicContact CD2-CD2 3.82Å; Y58-F140 AromaticContact CD2-CE1 3.9Å; Y58-F140 HydrophobicContact CD2-CE1 3.9Å; Y58-F140 HydrophobicContact CD2-CE2 4.15Å; Y58-F140 AromaticContact CD2-CG 3.5Å; Y58-F140 HydrophobicContact CD2-CG 3.5Å; Y58-F140 VanDerWaalsContact CD2-CG 3.5Å; Y58-F140 HydrophobicContact CD2-CZ 4.19Å; Y58-F140 HydrophobicContact CE2-CB 3.46Å; Y58-F140 VanDerWaalsContact CE2-CB 3.46Å; Y58-F140 AromaticContact CE2-CD1 3.93Å; Y58-F140 HydrophobicContact CE2-CD1 3.93Å; Y58-F140 AromaticContact CE2-CD2 3.6Å; Y58-F140 HydrophobicContact CE2-CD2 3.6Å; Y58-F140 HydrophobicContact CE2-CE2 4.3Å; Y58-F140 AromaticContact CE2-CG 3.38Å; Y58-F140 HydrophobicContact CE2-CG 3.38Å; Y58-F140 HydrophobicContact CG-CD1 4.13Å; Y58-F140 HydrophobicContact CG-CG 4.41Å |
| 59 | T | 92.4 | Very high | 82.5 | Confident | 22 Ų | 22 | 43.9 Ų | 43.9 | 14% | 0.135 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 166.3 | 165.9 | 70 | 0 | 0 | 0 | 0 | 109.8 | F36 L61 D62 | F36-T59 CarbonylContact O-C 3.39Å; F36-T59 VanDerWaalsContact O-CA 3.29Å; F36-T59 WeakPolarHBondContact O-CA 3.38Å; F36-T59 WeakPolarHBondContact O-CB 3.46Å; T59-L61 PolarHBondContact O-N 3.29Å; T59-L61 PolarHBondContact OG1-N 3.27Å; T59-D62 WeakPolarHBondContact CA-OD2 3.23Å; T59-D62 WeakPolarHBondContact CB-OD2 3.46Å; T59-D62 PolarHBondContact N-OD2 2.98Å; T59-D62 PolarHBondContact O-N 3.24Å; T59-D62 VanDerWaalsContact OG1-CG 3.28Å; T59-D62 PolarHBondContact OG1-N 3.17Å; T59-D62 PolarHBondContact OG1-OD2 3.35Å |
| 60 | L | 91.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -38.4 | 173.1 | 178.2 | 63.3 | 0 | 0 | 0 | 111.3 | F36 D62 L63 L64 V153 L211 W219 I221 | F36-L60 HydrophobicContact CD1-CB 4.36Å; F36-L60 HydrophobicContact CD1-CD2 4.1Å; F36-L60 HydrophobicContact CE1-CD2 4.5Å; F36-L60 PolarHBondContact O-N 2.81Å; L60-D62 VanDerWaalsContact C-N 3.31Å; L60-D62 PolarHBondContact O-N 3.15Å; L60-L63 PolarHBondContact O-N 3.42Å; L60-L63 VanDerWaalsContact O-N 3.17Å; L60-L64 WeakPolarHBondContact O-CG 3.46Å; L60-V153 HydrophobicContact CB-CG1 4.32Å; L60-V153 HydrophobicContact CD1-CG2 4.41Å; L60-V153 HydrophobicContact CD2-CG1 4.39Å; L60-L211 HydrophobicContact CD1-CD1 4.19Å; L60-L211 HydrophobicContact CD1-CD2 4.43Å; L60-W219 HydrophobicContact CD1-CE3 4.32Å; L60-W219 HydrophobicContact CD1-CH2 4.39Å; L60-W219 HydrophobicContact CD1-CZ3 4.11Å; L60-W219 HydrophobicContact CD2-CH2 3.76Å; L60-W219 HydrophobicContact CD2-CZ3 3.77Å; L60-W219 HydrophobicContact CG-CH2 4.39Å; L60-W219 HydrophobicContact CG-CZ3 4.46Å; L60-I221 HydrophobicContact CD2-CD1 4Å |
| 61 | L | 88.8 | Confident | 78.2 | Confident | 34 Ų | 34 | 51.5 Ų | 51.5 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -66.6 | -32.8 | -177.4 | -60 | 179.2 | 0 | 0 | 0 | 112.4 | T59 L63 L64 F81 L128 | T59-L61 PolarHBondContact O-N 3.29Å; T59-L61 PolarHBondContact OG1-N 3.27Å; L61-L63 PolarHBondContact O-N 3.3Å; L61-L64 HydrophobicContact CD2-CD1 4.12Å; L61-L64 PolarHBondContact O-N 2.79Å; L61-F81 HydrophobicContact CD1-CD1 4.42Å; L61-F81 HydrophobicContact CD1-CE1 3.76Å; L61-F81 HydrophobicContact CD1-CE2 4.16Å; L61-F81 HydrophobicContact CD1-CZ 3.63Å; L61-L128 HydrophobicContact CD2-CD1 3.88Å; L61-L128 HydrophobicContact CD2-CD2 4.03Å |
| 62 | D | 89.6 | Confident | 76.4 | Confident | 84 Ų | 84 | 51.7 Ų | 51.7 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -66.9 | -24.8 | 177 | -56.9 | -49 | 0 | 0 | 0 | 112.1 | Y58 T59 L60 H138 | Y58-D62 HydrophobicContact CD1-CB 4.32Å; T59-D62 WeakPolarHBondContact CA-OD2 3.23Å; T59-D62 WeakPolarHBondContact CB-OD2 3.46Å; T59-D62 PolarHBondContact N-OD2 2.98Å; T59-D62 PolarHBondContact O-N 3.24Å; T59-D62 VanDerWaalsContact OG1-CG 3.28Å; T59-D62 PolarHBondContact OG1-N 3.17Å; T59-D62 PolarHBondContact OG1-OD2 3.35Å; L60-D62 VanDerWaalsContact C-N 3.31Å; L60-D62 PolarHBondContact O-N 3.15Å; D62-H138 PolarHBondContact O-CD2 3.46Å |
| 63 | L | 89.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -85 | -10 | 177.7 | -56.6 | -170.3 | 0 | 0 | 0 | 113.8 | L38 L60 L61 L134 S135 F140 L141 | L38-L63 HydrophobicContact CD1-CD1 3.31Å; L38-L63 HydrophobicContact CD1-CD2 4.32Å; L38-L63 HydrophobicContact CD1-CG 3.69Å; L60-L63 PolarHBondContact O-N 3.42Å; L60-L63 VanDerWaalsContact O-N 3.17Å; L61-L63 PolarHBondContact O-N 3.3Å; L63-L134 HydrophobicContact CB-CD2 3.73Å; L63-L134 HydrophobicContact CD1-CD2 4.47Å; L63-L134 CarbonylContact O-C 3.57Å; L63-L134 WeakPolarHBondContact O-CA 3.48Å; L63-S135 WeakPolarHBondContact O-CB 3.36Å; L63-S135 PolarHBondContact O-N 3.28Å; L63-S135 PolarHBondContact O-OG 2.85Å; L63-F140 HydrophobicContact CD2-CD1 4.15Å; L63-L141 HydrophobicContact CD1-CD1 4.22Å; L63-L141 HydrophobicContact CD2-CB 4.41Å |
| 64 | L | 88.3 | Confident | 71.5 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.063 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -91.6 | 143.8 | -174.4 | -65.1 | 175.7 | 0 | 0 | 0 | 111.7 | L60 L61 L128 R132 K133 L134 S135 W219 | L60-L64 WeakPolarHBondContact O-CG 3.46Å; L61-L64 HydrophobicContact CD2-CD1 4.12Å; L61-L64 PolarHBondContact O-N 2.79Å; L64-L128 HydrophobicContact CD1-CD2 4.18Å; L64-R132 HydrophobicContact CB-CB 4.09Å; L64-R132 HydrophobicContact CD1-CB 4.22Å; L64-R132 HydrophobicContact CD2-CB 4.25Å; L64-R132 HydrophobicContact CG-CB 4.41Å; L64-K133 WeakPolarHBondContact CA-O 3.43Å; L64-L134 HydrophobicContact CD2-CD2 3.91Å; L64-S135 PolarHBondContact O-OG 3.17Å; L64-W219 HydrophobicContact CD1-CZ2 4.05Å; L64-W219 HydrophobicContact CD2-CD2 4.44Å; L64-W219 HydrophobicContact CD2-CZ2 3.63Å; L64-W219 VanDerWaalsContact CD2-NE1 3.31Å; L64-W219 HydrophobicContact CG-CZ2 4.5Å |
| 65 | E | 86.3 | Confident | 69 | Low | 75 Ų | 75 | 64 Ų | 64 | 35% | 0.35 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 147.1 | 168.6 | -66 | 179.6 | 170.3 | 0 | 0 | 109.9 | R132 K133 S135 | E65-R132 WeakPolarHBondContact O-CD 3.27Å; E65-R132 WeakPolarHBondContact O-CG 3.33Å; E65-K133 PolarHBondContact N-O 2.61Å; E65-S135 PolarHBondContact N-OG 3.5Å |
| 66 | P | 73.6 | Confident | 66.3 | Low | 116 Ų | 116 | 66.5 Ų | 66.5 | 75% | 0.753 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 141.2 | 175.2 | 22.4 | -30.5 | 0 | 0 | 0 | 111.2 | ||
| 67 | G | 59.9 | Low | 63.6 | Low | 14 Ų | 14 | 68.8 Ų | 68.8 | 14% | 0.144 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 166.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S69 | G67-S69 VanDerWaalsContact C-N 3.26Å; G67-S69 PolarHBondContact O-N 2.68Å |
| 68 | S | 47.5 | Very low | 60.9 | Low | 123 Ų | 123 | 69.3 Ų | 69.3 | 86% | 0.86 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -79.6 | -2.8 | -178.1 | -30.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 69 | S | 42.9 | Very low | 58.4 | Low | 44 Ų | 44 | 70 Ų | 70 | 31% | 0.308 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -86.5 | 132.6 | -175.9 | 26.6 | 0 | 0 | 0 | 0 | 112.1 | G67 S71 D72 | G67-S69 VanDerWaalsContact C-N 3.26Å; G67-S69 PolarHBondContact O-N 2.68Å; S69-S71 PolarHBondContact O-N 3.47Å; S69-S71 VanDerWaalsContact O-N 3.13Å; S69-D72 WeakPolarHBondContact O-CB 3.3Å; S69-D72 PolarHBondContact O-N 3.19Å; S69-D72 VanDerWaalsContact OG-CG 3.3Å; S69-D72 PolarHBondContact OG-OD1 3.45Å; S69-D72 PolarHBondContact OG-OD2 3.44Å |
| 70 | P | 39.7 | Very low | 56.2 | Low | 112 Ų | 112 | 70.9 Ų | 70.9 | 73% | 0.727 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -67.8 | -10.5 | -179 | 23.6 | -31.3 | 0 | 0 | 0 | 114.7 | D72 | P70-D72 PolarHBondContact O-N 2.99Š|
| 71 | S | 42.9 | Very low | 54.3 | Low | 70 Ų | 70 | 75.8 Ų | 75.8 | 49% | 0.49 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -68.6 | -19.2 | 167.9 | 45.5 | 0 | 0 | 0 | 0 | 113.3 | S69 | S69-S71 PolarHBondContact O-N 3.47Å; S69-S71 VanDerWaalsContact O-N 3.13Å |
| 72 | D | 42.4 | Very low | 52.9 | Low | 20 Ų | 20 | 82.6 Ų | 82.6 | 11% | 0.107 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -84.5 | -15.5 | -172.4 | -65 | 28.1 | 0 | 0 | 0 | 112.3 | S69 P70 T74 F79 R132 | S69-D72 WeakPolarHBondContact O-CB 3.3Å; S69-D72 PolarHBondContact O-N 3.19Å; S69-D72 VanDerWaalsContact OG-CG 3.3Å; S69-D72 PolarHBondContact OG-OD1 3.45Å; S69-D72 PolarHBondContact OG-OD2 3.44Å; P70-D72 PolarHBondContact O-N 2.99Å; D72-T74 VanDerWaalsContact C-N 3.34Å; D72-T74 PolarHBondContact O-N 2.88Å; D72-F79 VanDerWaalsContact OD1-CE2 3.27Å; D72-F79 WeakPolarHBondContact OD1-CE2 3.37Å; D72-R132 IonicContact OD2-CZ 3.43Å; D72-R132 IonicContact OD2-NH2 3.04Å; D72-R132 PolarHBondContact OD2-NH2 3.45Å |
| 73 | L | 36.4 | Very low | 51.7 | Low | 156 Ų | 156 | 85.1 Ų | 85.1 | 82% | 0.817 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -78.9 | -14.7 | -175.5 | -71.6 | 167.7 | 0 | 0 | 0 | 113.9 | ||
| 74 | T | 33.9 | Very low | 50.8 | Low | 121 Ų | 121 | 86.4 Ų | 86.4 | 74% | 0.742 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -110.2 | -8.8 | 178.7 | 18.1 | 0 | 0 | 0 | 0 | 113.8 | D72 S76 | D72-T74 VanDerWaalsContact C-N 3.34Å; D72-T74 PolarHBondContact O-N 2.88Å; T74-S76 PolarHBondContact O-N 2.88Å |
| 75 | D | 37.4 | Very low | 50.4 | Low | 70 Ų | 70 | 87.3 Ų | 87.3 | 37% | 0.374 | 51% | 0.512 | S | S | . | . | trans | -103.1 | 49.3 | -175.9 | -104.6 | -17.3 | 0 | 0 | 0 | 112.3 | G77 N78 F79 | D75-G77 PolarHBondContact O-N 3.47Å; D75-N78 WeakPolarHBondContact OD1-CB 3.05Å; D75-F79 HydrophobicContact CB-CD2 4.38Å | ||
| 76 | S | 33.9 | Very low | 50 | Low | 133 Ų | 133 | 87.8 Ų | 87.8 | 93% | 0.93 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 23 | 163.2 | 69 | 0 | 0 | 0 | 0 | 113 | T74 | T74-S76 PolarHBondContact O-N 2.88Š|
| 77 | G | 35.7 | Very low | 50.5 | Low | 58 Ų | 58 | 86.5 Ų | 86.5 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -161.5 | -13.7 | -176 | 0 | 0 | 0 | 0 | 0 | 116.9 | D75 | D75-G77 PolarHBondContact O-N 3.47Š|
| 78 | N | 34 | Very low | 51.5 | Low | 123 Ų | 123 | 91.4 Ų | 91.4 | 66% | 0.658 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.2 | 31.3 | -166.4 | -84.8 | -33.7 | 0 | 0 | 0 | 117.7 | D75 S80 | D75-N78 WeakPolarHBondContact OD1-CB 3.05Å; N78-S80 PolarHBondContact O-N 3.2Å |
| 79 | F | 39.9 | Very low | 53.1 | Low | 84 Ų | 84 | 89.4 Ų | 89.4 | 37% | 0.368 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -61.9 | 94.5 | 149.8 | -112.6 | -90.7 | 0 | 0 | 0 | 106.3 | D72 D75 F81 M84 | D72-F79 VanDerWaalsContact OD1-CE2 3.27Å; D72-F79 WeakPolarHBondContact OD1-CE2 3.37Å; D75-F79 HydrophobicContact CB-CD2 4.38Å; F79-F81 PolarHBondContact O-N 3.02Å; F79-M84 HydrophobicContact CD1-CE 3.91Å; F79-M84 HydrophobicContact CE1-CE 4.43Å |
| 80 | S | 46.3 | Very low | 54.6 | Low | 39 Ų | 39 | 91.3 Ų | 91.3 | 27% | 0.273 | 51% | 0.513 | S | S | . | . | trans | -64.2 | 112.3 | -158.3 | 99.8 | 0 | 0 | 0 | 0 | 108.9 | N78 K82 N83 | N78-S80 PolarHBondContact O-N 3.2Å; S80-K82 PolarHBondContact O-N 2.94Å; S80-N83 PolarHBondContact O-N 2.82Å; S80-N83 PolarHBondContact OG-N 2.76Å; S80-N83 PolarHBondContact OG-ND2 2.93Å; S80-N83 PolarHBondContact OG-OD1 3.21Å | ||
| 81 | F | 51.8 | Low | 56.5 | Low | 103 Ų | 103 | 87.1 Ų | 87.1 | 45% | 0.452 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -46.7 | -30.6 | 177.1 | -93.1 | -95.7 | 0 | 0 | 0 | 111.3 | F36 L61 F79 N83 M84 L85 | F36-F81 HydrophobicContact CD2-CD1 4.32Å; F36-F81 HydrophobicContact CD2-CE1 4.39Å; L61-F81 HydrophobicContact CD1-CD1 4.42Å; L61-F81 HydrophobicContact CD1-CE1 3.76Å; L61-F81 HydrophobicContact CD1-CE2 4.16Å; L61-F81 HydrophobicContact CD1-CZ 3.63Å; F79-F81 PolarHBondContact O-N 3.02Å; F81-N83 PolarHBondContact O-N 3.08Å; F81-M84 PolarHBondContact O-N 3.05Å; F81-L85 WeakPolarHBondContact O-CG 3.48Å |
| 82 | K | 58.8 | Low | 58.4 | Low | 177 Ų | 177 | 89 Ų | 89 | 77% | 0.77 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -64.6 | -31.5 | 177.4 | -70.6 | -178.5 | 177.2 | 178.9 | 0 | 114.2 | S80 M84 L85 | S80-K82 PolarHBondContact O-N 2.94Å; K82-M84 PolarHBondContact O-N 3.25Å; K82-L85 PolarHBondContact O-N 2.98Å |
| 83 | N | 63.8 | Low | 60.3 | Low | 137 Ų | 137 | 88.2 Ų | 88.2 | 73% | 0.733 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -75.9 | -13.3 | -178.1 | -65.6 | -13.2 | 0 | 0 | 0 | 113 | S80 F81 | S80-N83 PolarHBondContact O-N 2.82Å; S80-N83 PolarHBondContact OG-N 2.76Å; S80-N83 PolarHBondContact OG-ND2 2.93Å; S80-N83 PolarHBondContact OG-OD1 3.21Å; F81-N83 PolarHBondContact O-N 3.08Å |
| 84 | M | 71.9 | Confident | 62.6 | Low | 28 Ų | 28 | 86.8 Ų | 86.8 | 14% | 0.138 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -101.3 | 0.8 | 179.6 | -63.6 | -174.4 | 176.3 | 0 | 0 | 113.1 | F36 F79 F81 K82 A121 A124 L128 | F36-M84 HydrophobicContact CE2-CB 3.99Å; F36-M84 HydrophobicContact CE2-SD 4.49Å; F36-M84 HydrophobicContact CZ-CB 4.06Å; F36-M84 HydrophobicContact CZ-SD 4.25Å; F79-M84 HydrophobicContact CD1-CE 3.91Å; F79-M84 HydrophobicContact CE1-CE 4.43Å; F81-M84 PolarHBondContact O-N 3.05Å; K82-M84 PolarHBondContact O-N 3.25Å; M84-A121 WeakPolarHBondContact O-CB 3.44Å; M84-A121 PolarHBondContact O-N 3.32Å; M84-A124 HydrophobicContact CB-CB 3.77Å; M84-A124 HydrophobicContact CG-CB 3.82Å; M84-A124 HydrophobicContact SD-CB 4.45Å; M84-L128 HydrophobicContact CE-CD2 4.31Å; M84-L128 HydrophobicContact SD-CD1 4.29Å |
| 85 | L | 79 | Confident | 64.9 | Low | 31 Ų | 31 | 81.6 Ų | 81.6 | 16% | 0.162 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 129.6 | -175.7 | -60.2 | 178.3 | 0 | 0 | 0 | 110.8 | P35 F36 F81 K82 S119 V120 | P35-L85 HydrophobicContact CB-CD1 4.22Å; P35-L85 HydrophobicContact CB-CD2 3.46Å; P35-L85 VanDerWaalsContact CB-CD2 3.46Å; P35-L85 HydrophobicContact CG-CD1 4.28Å; P35-L85 HydrophobicContact CG-CD2 4.03Å; F36-L85 HydrophobicContact CD2-CD2 4.32Å; F36-L85 HydrophobicContact CE2-CD2 3.86Å; F81-L85 WeakPolarHBondContact O-CG 3.48Å; K82-L85 PolarHBondContact O-N 2.98Å; L85-S119 CarbonylContact C-O 3.58Å; L85-S119 VanDerWaalsContact CA-O 3.23Å; L85-S119 WeakPolarHBondContact CA-O 3.44Å; L85-V120 HydrophobicContact CD2-CG2 4Å |
| 86 | D | 78.9 | Confident | 66.9 | Low | 84 Ų | 84 | 78.3 Ų | 78.3 | 45% | 0.449 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 134.7 | 168.1 | -65.1 | -37.2 | 0 | 0 | 0 | 108.6 | L118 S119 | D86-L118 WeakPolarHBondContact O-CA 3.46Å; D86-S119 PolarHBondContact N-O 3.16Å; D86-S119 PolarHBondContact O-N 2.75Å |
| 87 | V | 83.8 | Confident | 68.9 | Low | 90 Ų | 90 | 77.9 Ų | 77.9 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.8 | 179.4 | -173.8 | 0 | 0 | 0 | 0 | 109 | L118 | V87-L118 HydrophobicContact CB-CD2 4.14Å; V87-L118 HydrophobicContact CG1-CD2 3.87Å; V87-L118 HydrophobicContact CG2-CD2 3.57Å |
| 88 | Q | 80.6 | Confident | 70.5 | Confident | 116 Ų | 116 | 76.8 Ų | 76.8 | 54% | 0.542 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.9 | 176.5 | -173.2 | 173.5 | 0.5 | 0 | 0 | 110.1 | Q116 T117 | Q88-Q116 CarbonylContact O-C 3.49Å; Q88-Q116 WeakPolarHBondContact O-CA 3.44Å; Q88-T117 PolarHBondContact N-O 2.88Å; Q88-T117 PolarHBondContact O-N 2.88Å |
| 89 | V | 81 | Confident | 72.6 | Confident | 81 Ų | 81 | 71 Ų | 71 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 123.3 | 172.9 | 179 | 0 | 0 | 0 | 0 | 108.3 | ||
| 90 | Q | 73.4 | Confident | 74.6 | Confident | 85 Ų | 85 | 70.1 Ų | 70.1 | 40% | 0.397 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -23.6 | 178.3 | -65 | -67.4 | -6.4 | 0 | 0 | 112 | V115 T117 | Q90-V115 HydrophobicContact CB-CG2 3.89Å; Q90-V115 PolarHBondContact N-O 3.04Å; Q90-T117 WeakPolarHBondContact CG-OG1 3.48Å; Q90-T117 PolarHBondContact NE2-OG1 2.83Å |
| 91 | G | 81.1 | Confident | 76.3 | Confident | 24 Ų | 24 | 68.2 Ų | 68.2 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 98.9 | -140.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | E114 V115 | G91-E114 WeakPolarHBondContact O-CA 3.4Å; G91-V115 PolarHBondContact N-O 3.14Å; G91-V115 PolarHBondContact O-N 3.41Å |
| 92 | L | 82.6 | Confident | 77.7 | Confident | 110 Ų | 110 | 67.3 Ų | 67.3 | 58% | 0.576 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 139.2 | -176.6 | -66.1 | 176.2 | 0 | 0 | 0 | 111 | L113 E114 | L92-L113 CarbonylContact C-O 3.35Å; L92-L113 WeakPolarHBondContact CA-O 3.47Å; L92-E114 HydrophobicContact CD2-CB 3.98Å; L92-E114 HydrophobicContact CD2-CG 4.44Å |
| 93 | V | 82.8 | Confident | 78.6 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140.6 | 176 | -173.8 | 0 | 0 | 0 | 0 | 108.5 | L11 E14 L15 T112 L113 V115 | L11-V93 HydrophobicContact CB-CG1 4.12Å; L11-V93 HydrophobicContact CD1-CG1 4.43Å; L11-V93 HydrophobicContact CG-CG1 4.03Å; E14-V93 HydrophobicContact CB-CG1 4.17Å; E14-V93 HydrophobicContact CG-CG1 4.31Å; E14-V93 WeakPolarHBondContact OE2-CG1 3.41Å; L15-V93 HydrophobicContact CD1-CG2 4.25Å; L15-V93 HydrophobicContact CD2-CG2 3.77Å; L15-V93 HydrophobicContact CG-CG2 4.09Å; V93-T112 CarbonylContact O-C 3.49Å; V93-T112 WeakPolarHBondContact O-CA 3.13Å; V93-L113 PolarHBondContact N-O 3.14Å; V93-L113 PolarHBondContact O-N 2.84Å; V93-V115 HydrophobicContact CG2-CG1 4.37Å; V93-V115 HydrophobicContact CG2-CG2 3.57Å |
| 94 | E | 82.9 | Confident | 79 | Confident | 126 Ų | 126 | 57.8 Ų | 57.8 | 59% | 0.589 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 139.7 | 177.6 | -69.8 | -171.7 | 166.8 | 0 | 0 | 111.3 | E14 T112 | E14-E94 PolarHBondContact OE2-N 2.86Å; E94-T112 HydrophobicContact CG-CG2 4.37Å |
| 95 | V | 82.9 | Confident | 79 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 158.9 | 168.2 | -63.3 | 0 | 0 | 0 | 0 | 110.2 | V7 K97 V99 V101 S111 L113 | V7-V95 HydrophobicContact CG1-CG1 4.3Å; V7-V95 HydrophobicContact CG2-CB 4.47Å; V7-V95 HydrophobicContact CG2-CG1 4.35Å; V95-K97 PolarHBondContact O-N 2.96Å; V95-V99 HydrophobicContact CB-CB 4.46Å; V95-V99 HydrophobicContact CB-CG1 4.48Å; V95-V99 HydrophobicContact CG2-CB 4.33Å; V95-V99 HydrophobicContact CG2-CG1 4.4Å; V95-V101 HydrophobicContact CB-CG2 4.42Å; V95-V101 HydrophobicContact CG1-CG2 3.81Å; V95-V101 HydrophobicContact CG2-CG2 3.76Å; V95-S111 WeakPolarHBondContact CG2-O 3.37Å; V95-S111 PolarHBondContact N-O 2.96Å; V95-L113 HydrophobicContact CG1-CB 4.43Å; V95-L113 HydrophobicContact CG1-CD1 3.45Å; V95-L113 VanDerWaalsContact CG1-CD1 3.45Å; V95-L113 HydrophobicContact CG1-CD2 4.46Å; V95-L113 HydrophobicContact CG1-CG 3.45Å; V95-L113 VanDerWaalsContact CG1-CG 3.45Å |
| 96 | P | 80.1 | Confident | 78.6 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -49.2 | 141.4 | 172.8 | -27.7 | 34.1 | 0 | 0 | 0 | 111.7 | D6 A10 T98 V99 D424 | D6-P96 HydrophobicContact CB-CG 4.13Å; D6-P96 WeakPolarHBondContact O-CG 3.49Å; A10-P96 HydrophobicContact CB-CG 3.74Å; P96-T98 PolarHBondContact O-N 3.27Å; P96-T98 VanDerWaalsContact O-N 3.08Å; P96-V99 HydrophobicContact CB-CB 4.47Å; P96-V99 HydrophobicContact CB-CG2 4.06Å; P96-V99 HydrophobicContact CG-CG2 4.34Å; P96-V99 WeakPolarHBondContact O-CA 3.42Å; P96-V99 WeakPolarHBondContact O-CB 3.37Å; P96-V99 PolarHBondContact O-N 3.04Å; P96-D424 VanDerWaalsContact CA-OD2 3.27Å; P96-D424 WeakPolarHBondContact CA-OD2 3.03Å; P96-D424 HydrophobicContact CB-CB 4.18Å; P96-D424 WeakPolarHBondContact CB-OD2 3.37Å; P96-D424 HydrophobicContact CG-CB 4.33Å |
| 97 | K | 75.3 | Confident | 77.8 | Confident | 124 Ų | 124 | 65.6 Ų | 65.6 | 54% | 0.539 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -25.1 | -175.9 | -70 | 175.9 | -179.5 | 168.4 | 0 | 113.3 | V95 V99 E380 | V95-K97 PolarHBondContact O-N 2.96Å; K97-V99 PolarHBondContact O-N 3.32Å; K97-E380 VanDerWaalsContact CD-OE2 3.23Å; K97-E380 WeakPolarHBondContact CD-OE2 3.18Å; K97-E380 IonicContact NZ-OE1 3.83Å; K97-E380 PolarHBondContact NZ-OE1 2.69Å; K97-E380 IonicContact NZ-OE2 3.35Å; K97-E380 PolarHBondContact NZ-OE2 3.29Å |
| 98 | T | 69.2 | Low | 76.7 | Confident | 36 Ų | 36 | 65 Ų | 65 | 22% | 0.221 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -10.8 | 174.9 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | P96 T169 | P96-T98 PolarHBondContact O-N 3.27Å; P96-T98 VanDerWaalsContact O-N 3.08Å; T98-T169 WeakPolarHBondContact O-CB 3.41Å; T98-T169 PolarHBondContact O-N 2.91Å; T98-T169 PolarHBondContact O-OG1 2.84Å |
| 99 | V | 79.3 | Confident | 76.6 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.012 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 139.1 | -176.2 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | V3 V7 V95 P96 K97 V166 E167 Q168 | V3-V99 HydrophobicContact CG2-CG1 4.04Å; V3-V99 HydrophobicContact CG2-CG2 3.94Å; V7-V99 HydrophobicContact CG2-CB 4.49Å; V7-V99 HydrophobicContact CG2-CG1 3.94Å; V7-V99 HydrophobicContact CG2-CG2 4.34Å; V95-V99 HydrophobicContact CB-CB 4.46Å; V95-V99 HydrophobicContact CB-CG1 4.48Å; V95-V99 HydrophobicContact CG2-CB 4.33Å; V95-V99 HydrophobicContact CG2-CG1 4.4Å; P96-V99 HydrophobicContact CB-CB 4.47Å; P96-V99 HydrophobicContact CB-CG2 4.06Å; P96-V99 HydrophobicContact CG-CG2 4.34Å; P96-V99 WeakPolarHBondContact O-CA 3.42Å; P96-V99 WeakPolarHBondContact O-CB 3.37Å; P96-V99 PolarHBondContact O-N 3.04Å; K97-V99 PolarHBondContact O-N 3.32Å; V99-V166 HydrophobicContact CG1-CB 3.83Å; V99-V166 HydrophobicContact CG1-CG1 4.27Å; V99-E167 CarbonylContact C-O 3.6Å; V99-E167 WeakPolarHBondContact CA-O 3.39Å; V99-Q168 HydrophobicContact CG2-CG 4.44Å |
| 100 | K | 81.7 | Confident | 76.4 | Confident | 64 Ų | 64 | 61.4 Ų | 61.4 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 140.3 | 171.4 | -59.2 | -58.7 | -179.8 | -163.5 | 0 | 111 | Q109 V166 E167 T169 | K100-Q109 HydrophobicContact CB-CB 4.46Å; K100-Q109 HydrophobicContact CB-CG 4.4Å; K100-V166 WeakPolarHBondContact O-CA 3.48Å; K100-E167 HydrophobicContact CB-CG 3.98Å; K100-E167 PolarHBondContact N-O 3.12Å; K100-E167 PolarHBondContact O-N 2.99Å; K100-T169 HydrophobicContact CG-CG2 4.09Å; K100-T169 WeakPolarHBondContact CG-OG1 3.4Å |
| 101 | V | 81.8 | Confident | 76.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128 | 175.4 | -172.3 | 0 | 0 | 0 | 0 | 109.9 | V95 S110 L113 V164 V166 | V95-V101 HydrophobicContact CB-CG2 4.42Å; V95-V101 HydrophobicContact CG1-CG2 3.81Å; V95-V101 HydrophobicContact CG2-CG2 3.76Å; V101-S110 WeakPolarHBondContact CB-O 3.49Å; V101-S110 PolarHBondContact N-O 3.38Å; V101-S110 PolarHBondContact O-N 3.44Å; V101-L113 HydrophobicContact CB-CD2 4.46Å; V101-L113 HydrophobicContact CG1-CD2 3.68Å; V101-L113 HydrophobicContact CG2-CD2 3.88Å; V101-L113 HydrophobicContact CG2-CG 4.21Å; V101-V164 HydrophobicContact CG1-CB 3.95Å; V101-V164 HydrophobicContact CG1-CG1 4.14Å; V101-V166 HydrophobicContact CG2-CG1 4.29Å |
| 102 | K | 81.5 | Confident | 76.9 | Confident | 84 Ų | 84 | 61.1 Ų | 61.1 | 37% | 0.365 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 153.2 | 170.9 | -70.3 | 176.3 | 174.6 | 159.5 | 0 | 110.4 | T165 E167 | K102-T165 PolarHBondContact N-O 3.38Å; K102-T165 PolarHBondContact O-N 3.13Å; K102-E167 WeakPolarHBondContact CE-OE1 3.31Å; K102-E167 IonicContact NZ-OE1 3.7Å; K102-E167 PolarHBondContact NZ-OE1 3.39Å; K102-E167 IonicContact NZ-OE2 2.85Å; K102-E167 PolarHBondContact NZ-OE2 3.36Å |
| 103 | G | 76.8 | Confident | 77 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 67% | 0.67 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 111.3 | -16.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 104 | T | 73.4 | Confident | 77.3 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -118.6 | -8.3 | -173 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | Q162 V164 | T104-Q162 HydrophobicContact CG2-CG 3.85Å; T104-Q162 VanDerWaalsContact CG2-NE2 3.3Å; T104-V164 HydrophobicContact CG2-CG1 3.63Å |
| 105 | A | 71 | Confident | 77.7 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 35% | 0.347 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -125.2 | 26.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L107 S108 | A105-L107 PolarHBondContact O-N 2.82Å; A105-S108 WeakPolarHBondContact O-CB 3.25Å; A105-S108 PolarHBondContact O-N 3.06Å; A105-S108 VanDerWaalsContact O-N 3.07Å |
| 106 | G | 71 | Confident | 78 | Confident | 71 Ų | 71 | 53.9 Ų | 53.9 | 73% | 0.732 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | -125.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | S108 | G106-S108 VanDerWaalsContact C-N 3.28Š|
| 107 | L | 60.7 | Low | 78.5 | Confident | 194 Ų | 194 | 54 Ų | 54 | 100% | 1.016 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -12.2 | 174 | -67.6 | 173.6 | 0 | 0 | 0 | 113.1 | A105 | A105-L107 PolarHBondContact O-N 2.82Š|
| 108 | S | 62.6 | Low | 79.2 | Confident | 79 Ų | 79 | 49 Ų | 49 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -86.7 | 163.3 | 178.3 | -167.8 | 0 | 0 | 0 | 0 | 111.5 | A105 G106 | A105-S108 WeakPolarHBondContact O-CB 3.25Å; A105-S108 PolarHBondContact O-N 3.06Å; A105-S108 VanDerWaalsContact O-N 3.07Å; G106-S108 VanDerWaalsContact C-N 3.28Å |
| 109 | Q | 77.8 | Confident | 80.2 | Confident | 95 Ų | 95 | 48.6 Ų | 48.6 | 44% | 0.444 | 30% | 0.303 | S | S | . | . | trans | -93.5 | 150.4 | 170.5 | -63.3 | 167.8 | 3.7 | 0 | 0 | 109.7 | K100 | K100-Q109 HydrophobicContact CB-CB 4.46Å; K100-Q109 HydrophobicContact CB-CG 4.4Å | ||
| 110 | S | 77.2 | Confident | 80.8 | Confident | 25 Ų | 25 | 49.1 Ų | 49.1 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -113.7 | 155.9 | 171 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | V101 T112 | V101-S110 WeakPolarHBondContact CB-O 3.49Å; V101-S110 PolarHBondContact N-O 3.38Å; V101-S110 PolarHBondContact O-N 3.44Å; S110-T112 PolarHBondContact OG-N 3.13Å; S110-T112 PolarHBondContact OG-O 2.72Å; S110-T112 PolarHBondContact OG-OG1 3.04Å |
| 111 | S | 80.7 | Confident | 81 | Confident | 70 Ų | 70 | 46.4 Ų | 46.4 | 49% | 0.49 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -106.3 | 7.7 | 172.5 | 58.1 | 0 | 0 | 0 | 0 | 112.9 | V95 | V95-S111 WeakPolarHBondContact CG2-O 3.37Å; V95-S111 PolarHBondContact N-O 2.96Å |
| 112 | T | 83.1 | Confident | 81.3 | Confident | 33 Ų | 33 | 50 Ų | 50 | 20% | 0.202 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 149.6 | -176.2 | 61.9 | 0 | 0 | 0 | 0 | 113 | V93 E94 S110 | V93-T112 CarbonylContact O-C 3.49Å; V93-T112 WeakPolarHBondContact O-CA 3.13Å; E94-T112 HydrophobicContact CG-CG2 4.37Å; S110-T112 PolarHBondContact OG-N 3.13Å; S110-T112 PolarHBondContact OG-O 2.72Å; S110-T112 PolarHBondContact OG-OG1 3.04Å |
| 113 | L | 86 | Confident | 81.5 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 135.1 | 173.5 | -70.8 | 178.6 | 0 | 0 | 0 | 111.1 | V7 L92 V93 V95 V101 V115 V164 | V7-L113 HydrophobicContact CG1-CD1 3.52Å; L92-L113 CarbonylContact C-O 3.35Å; L92-L113 WeakPolarHBondContact CA-O 3.47Å; V93-L113 PolarHBondContact N-O 3.14Å; V93-L113 PolarHBondContact O-N 2.84Å; V95-L113 HydrophobicContact CG1-CB 4.43Å; V95-L113 HydrophobicContact CG1-CD1 3.45Å; V95-L113 VanDerWaalsContact CG1-CD1 3.45Å; V95-L113 HydrophobicContact CG1-CD2 4.46Å; V95-L113 HydrophobicContact CG1-CG 3.45Å; V95-L113 VanDerWaalsContact CG1-CG 3.45Å; V101-L113 HydrophobicContact CB-CD2 4.46Å; V101-L113 HydrophobicContact CG1-CD2 3.68Å; V101-L113 HydrophobicContact CG2-CD2 3.88Å; V101-L113 HydrophobicContact CG2-CG 4.21Å; L113-V115 HydrophobicContact CB-CG1 4.39Å; L113-V164 HydrophobicContact CD2-CB 4.1Å; L113-V164 HydrophobicContact CD2-CG1 4Å; L113-V164 HydrophobicContact CD2-CG2 3.63Å |
| 114 | E | 88.4 | Confident | 81.9 | Confident | 63 Ų | 63 | 47 Ų | 47 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 124.8 | 173.6 | -167.1 | -176.1 | 171.8 | 0 | 0 | 110.3 | G91 L92 K161 Q162 | G91-E114 WeakPolarHBondContact O-CA 3.4Å; L92-E114 HydrophobicContact CD2-CB 3.98Å; L92-E114 HydrophobicContact CD2-CG 4.44Å; E114-K161 HydrophobicContact CB-CB 4.12Å; E114-K161 HydrophobicContact CG-CB 3.89Å; E114-K161 HydrophobicContact CG-CG 4.17Å; E114-K161 VanDerWaalsContact O-CB 3.32Å; E114-K161 WeakPolarHBondContact O-CB 3.33Å; E114-K161 PolarHBondContact O-N 3.19Å; E114-Q162 PolarHBondContact OE2-NE2 2.85Å |
| 115 | V | 91.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 154.5 | -174.2 | -51.4 | 0 | 0 | 0 | 0 | 112.6 | L11 L15 Q90 G91 V93 L113 V158 E159 L204 | L11-V115 HydrophobicContact CD1-CG1 3.95Å; L15-V115 HydrophobicContact CD1-CG2 4.26Å; Q90-V115 HydrophobicContact CB-CG2 3.89Å; Q90-V115 PolarHBondContact N-O 3.04Å; G91-V115 PolarHBondContact N-O 3.14Å; G91-V115 PolarHBondContact O-N 3.41Å; V93-V115 HydrophobicContact CG2-CG1 4.37Å; V93-V115 HydrophobicContact CG2-CG2 3.57Å; L113-V115 HydrophobicContact CB-CG1 4.39Å; V115-V158 HydrophobicContact CB-CG1 3.89Å; V115-V158 HydrophobicContact CG2-CG1 3.94Å; V115-E159 WeakPolarHBondContact CA-O 3.35Å; V115-L204 HydrophobicContact CG1-CD1 3.8Å |
| 116 | Q | 88.8 | Confident | 83.4 | Confident | 28 Ų | 28 | 45.6 Ų | 45.6 | 13% | 0.131 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.6 | 174.5 | 62.3 | 174.6 | 31.6 | 0 | 0 | 109.8 | Q88 V158 E159 K161 | Q88-Q116 CarbonylContact O-C 3.49Å; Q88-Q116 WeakPolarHBondContact O-CA 3.44Å; Q116-V158 CarbonylContact O-C 3.59Å; Q116-V158 WeakPolarHBondContact O-CA 3.4Å; Q116-E159 HydrophobicContact CG-CB 4.32Å; Q116-E159 PolarHBondContact N-O 2.83Å; Q116-E159 PolarHBondContact O-N 3.38Å; Q116-K161 HydrophobicContact CB-CD 4.3Å; Q116-K161 HydrophobicContact CG-CD 4.18Å |
| 117 | T | 91.2 | Very high | 84.1 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.5 | 174.3 | -58.9 | 0 | 0 | 0 | 0 | 109.6 | Q88 Q90 E156 A157 | Q88-T117 PolarHBondContact N-O 2.88Å; Q88-T117 PolarHBondContact O-N 2.88Å; Q90-T117 WeakPolarHBondContact CG-OG1 3.48Å; Q90-T117 PolarHBondContact NE2-OG1 2.83Å; T117-E156 HydrophobicContact CG2-CG 3.32Å; T117-A157 CarbonylContact C-O 3.5Å; T117-A157 WeakPolarHBondContact CA-O 3.3Å |
| 118 | L | 90.6 | Very high | 85.4 | Confident | 19 Ų | 19 | 36.8 Ų | 36.8 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.8 | 166.5 | -56 | -176 | 0 | 0 | 0 | 108.1 | P35 D86 V87 E156 A157 E159 | P35-L118 HydrophobicContact CG-CB 3.91Å; D86-L118 WeakPolarHBondContact O-CA 3.46Å; V87-L118 HydrophobicContact CB-CD2 4.14Å; V87-L118 HydrophobicContact CG1-CD2 3.87Å; V87-L118 HydrophobicContact CG2-CD2 3.57Å; L118-E156 CarbonylContact O-C 3.56Å; L118-E156 VanDerWaalsContact O-CA 3.25Å; L118-E156 WeakPolarHBondContact O-CA 3.49Å; L118-A157 PolarHBondContact N-O 3.33Å; L118-A157 PolarHBondContact O-N 3.21Å; L118-E159 HydrophobicContact CD1-CG 4.23Å; L118-E159 WeakPolarHBondContact CD1-OE1 3.42Å; L118-E159 WeakPolarHBondContact CD1-OE2 3.31Å; L118-E159 HydrophobicContact CG-CG 4.49Å |
| 119 | S | 90.4 | Very high | 86.5 | Confident | 27 Ų | 27 | 35.6 Ų | 35.6 | 19% | 0.189 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.8 | 177.7 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | L85 D86 A121 M155 | L85-S119 CarbonylContact C-O 3.58Å; L85-S119 VanDerWaalsContact CA-O 3.23Å; L85-S119 WeakPolarHBondContact CA-O 3.44Å; D86-S119 PolarHBondContact N-O 3.16Å; D86-S119 PolarHBondContact O-N 2.75Å; S119-A121 PolarHBondContact O-N 2.88Å; S119-M155 WeakPolarHBondContact CA-O 3.28Å |
| 120 | V | 90.2 | Very high | 86.9 | Confident | 13 Ų | 13 | 39 Ų | 39 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 122.8 | 174.9 | 175.4 | 0 | 0 | 0 | 0 | 109.4 | P35 F36 L85 L125 M155 | P35-V120 HydrophobicContact CB-CG2 3.99Å; F36-V120 HydrophobicContact CD1-CG2 4.25Å; F36-V120 HydrophobicContact CD2-CG2 4.33Å; F36-V120 HydrophobicContact CE1-CG1 3.7Å; F36-V120 HydrophobicContact CE1-CG2 3.94Å; F36-V120 HydrophobicContact CE2-CG1 4.41Å; F36-V120 HydrophobicContact CE2-CG2 4.02Å; F36-V120 HydrophobicContact CG-CG2 4.45Å; F36-V120 HydrophobicContact CZ-CB 4.29Å; F36-V120 HydrophobicContact CZ-CG1 3.53Å; F36-V120 HydrophobicContact CZ-CG2 3.83Å; L85-V120 HydrophobicContact CD2-CG2 4Å; V120-L125 HydrophobicContact CG1-CB 4.28Å; V120-M155 HydrophobicContact CB-CE 3.84Å; V120-M155 HydrophobicContact CG1-CE 4.01Å; V120-M155 HydrophobicContact CG2-CE 4.16Å; V120-M155 PolarHBondContact N-O 3.22Å |
| 121 | A | 87.6 | Confident | 87.4 | Confident | 6 Ų | 6 | 42.2 Ų | 42.2 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | trans | -61.4 | 128.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | M84 S119 S123 A124 L125 | M84-A121 WeakPolarHBondContact O-CB 3.44Å; M84-A121 PolarHBondContact O-N 3.32Å; S119-A121 PolarHBondContact O-N 2.88Å; A121-S123 VanDerWaalsContact C-N 3.26Å; A121-S123 PolarHBondContact O-N 3Å; A121-A124 HydrophobicContact CB-CB 4.07Å; A121-A124 WeakPolarHBondContact O-CB 3.49Å; A121-A124 PolarHBondContact O-N 2.97Å; A121-A124 VanDerWaalsContact O-N 3.07Å; A121-L125 PolarHBondContact O-N 3.17Å | ||
| 122 | P | 87.1 | Confident | 87.7 | Confident | 76 Ų | 76 | 40.5 Ų | 40.5 | 49% | 0.494 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -56.7 | -39.1 | -179.1 | -27.4 | 34.7 | 0 | 0 | 0 | 113.2 | A124 L125 E126 | P122-A124 PolarHBondContact O-N 3.28Å; P122-L125 PolarHBondContact O-N 3.03Å; P122-E126 WeakPolarHBondContact O-CG 3.21Å; P122-E126 PolarHBondContact O-N 3.02Å |
| 123 | S | 85.6 | Confident | 87.9 | Confident | 77 Ų | 77 | 43.8 Ų | 43.8 | 54% | 0.538 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 177.2 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | A121 E126 N127 | A121-S123 VanDerWaalsContact C-N 3.26Å; A121-S123 PolarHBondContact O-N 3Å; S123-E126 PolarHBondContact O-N 3.44Å; S123-N127 WeakPolarHBondContact O-CB 3.2Å; S123-N127 PolarHBondContact O-N 3.1Å; S123-N127 PolarHBondContact O-ND2 3.14Å; S123-N127 PolarHBondContact O-OD1 3.32Å |
| 124 | A | 86.4 | Confident | 88.1 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | M84 A121 P122 N127 L128 | M84-A124 HydrophobicContact CB-CB 3.77Å; M84-A124 HydrophobicContact CG-CB 3.82Å; M84-A124 HydrophobicContact SD-CB 4.45Å; A121-A124 HydrophobicContact CB-CB 4.07Å; A121-A124 WeakPolarHBondContact O-CB 3.49Å; A121-A124 PolarHBondContact O-N 2.97Å; A121-A124 VanDerWaalsContact O-N 3.07Å; P122-A124 PolarHBondContact O-N 3.28Å; A124-N127 PolarHBondContact O-N 3.27Å; A124-L128 WeakPolarHBondContact O-CG 3.46Å; A124-L128 PolarHBondContact O-N 3.35Å |
| 125 | L | 87.7 | Confident | 88.1 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.3 | -42.3 | 177.4 | -177.4 | 64.8 | 0 | 0 | 0 | 112.3 | V120 A121 P122 L128 K129 M155 W219 I221 | V120-L125 HydrophobicContact CG1-CB 4.28Å; A121-L125 PolarHBondContact O-N 3.17Å; P122-L125 PolarHBondContact O-N 3.03Å; L125-L128 PolarHBondContact O-N 2.82Å; L125-K129 WeakPolarHBondContact O-CG 3.36Å; L125-K129 PolarHBondContact O-N 2.85Å; L125-K129 VanDerWaalsContact O-N 3.15Å; L125-M155 HydrophobicContact CD2-CE 3.81Å; L125-W219 HydrophobicContact CD1-CH2 4.03Å; L125-W219 HydrophobicContact CD1-CZ3 3.97Å; L125-I221 HydrophobicContact CD1-CD1 3.9Å; L125-I221 HydrophobicContact CD1-CG1 4.49Å; L125-I221 HydrophobicContact CD2-CB 4.37Å |
| 126 | E | 86.5 | Confident | 87.7 | Confident | 57 Ų | 57 | 43.4 Ų | 43.4 | 27% | 0.266 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.1 | -36.4 | 176.9 | -66.9 | -56.2 | 145.8 | 0 | 0 | 112.5 | P122 S123 K129 K130 Y223 | P122-E126 WeakPolarHBondContact O-CG 3.21Å; P122-E126 PolarHBondContact O-N 3.02Å; S123-E126 PolarHBondContact O-N 3.44Å; E126-K129 VanDerWaalsContact CD-CE 3.45Å; E126-K129 WeakPolarHBondContact OE1-CE 3.47Å; E126-K129 IonicContact OE1-NZ 2.72Å; E126-K129 PolarHBondContact OE1-NZ 3.2Å; E126-K129 WeakPolarHBondContact OE2-CE 3.47Å; E126-K129 IonicContact OE2-NZ 2.81Å; E126-K129 PolarHBondContact OE2-NZ 2.95Å; E126-K130 WeakPolarHBondContact O-CG 3.35Å; E126-K130 PolarHBondContact O-N 2.81Å; E126-Y223 PolarHBondContact OE1-OH 2.82Å |
| 127 | N | 87.6 | Confident | 87.6 | Confident | 77 Ų | 77 | 49.5 Ų | 49.5 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -47.3 | 175.5 | -68.5 | -13.9 | 0 | 0 | 0 | 111.2 | S123 A124 K129 K130 E131 | S123-N127 WeakPolarHBondContact O-CB 3.2Å; S123-N127 PolarHBondContact O-N 3.1Å; S123-N127 PolarHBondContact O-ND2 3.14Å; S123-N127 PolarHBondContact O-OD1 3.32Å; A124-N127 PolarHBondContact O-N 3.27Å; N127-K129 VanDerWaalsContact C-N 3.3Å; N127-K129 PolarHBondContact O-N 3.22Å; N127-K130 PolarHBondContact O-N 2.68Å; N127-E131 WeakPolarHBondContact O-CB 3.12Å; N127-E131 WeakPolarHBondContact O-CG 3.44Å; N127-E131 PolarHBondContact O-N 3.19Å |
| 128 | L | 87.3 | Confident | 87.6 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.5 | -42.6 | 177.1 | -74.1 | 174.1 | 0 | 0 | 0 | 112.3 | F36 L61 L64 M84 A124 L125 K130 E131 R132 W219 | F36-L128 HydrophobicContact CE1-CD1 4.07Å; F36-L128 HydrophobicContact CZ-CD1 4.46Å; L61-L128 HydrophobicContact CD2-CD1 3.88Å; L61-L128 HydrophobicContact CD2-CD2 4.03Å; L64-L128 HydrophobicContact CD1-CD2 4.18Å; M84-L128 HydrophobicContact CE-CD2 4.31Å; M84-L128 HydrophobicContact SD-CD1 4.29Å; A124-L128 WeakPolarHBondContact O-CG 3.46Å; A124-L128 PolarHBondContact O-N 3.35Å; L125-L128 PolarHBondContact O-N 2.82Å; L128-K130 VanDerWaalsContact C-N 3.32Å; L128-K130 PolarHBondContact O-N 3.02Å; L128-E131 PolarHBondContact O-N 3.32Å; L128-R132 PolarHBondContact O-N 3.27Å; L128-W219 HydrophobicContact CB-CH2 4.15Å; L128-W219 HydrophobicContact CB-CZ2 4.11Å |
| 129 | K | 85.9 | Confident | 87.6 | Confident | 54 Ų | 54 | 53.9 Ų | 53.9 | 24% | 0.235 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.7 | -33.3 | 177.4 | -74.4 | -174.9 | -59.7 | 173.8 | 0 | 113.3 | L125 E126 N127 W219 D220 | L125-K129 WeakPolarHBondContact O-CG 3.36Å; L125-K129 PolarHBondContact O-N 2.85Å; L125-K129 VanDerWaalsContact O-N 3.15Å; E126-K129 VanDerWaalsContact CD-CE 3.45Å; E126-K129 WeakPolarHBondContact OE1-CE 3.47Å; E126-K129 IonicContact OE1-NZ 2.72Å; E126-K129 PolarHBondContact OE1-NZ 3.2Å; E126-K129 WeakPolarHBondContact OE2-CE 3.47Å; E126-K129 IonicContact OE2-NZ 2.81Å; E126-K129 PolarHBondContact OE2-NZ 2.95Å; N127-K129 VanDerWaalsContact C-N 3.3Å; N127-K129 PolarHBondContact O-N 3.22Å; K129-W219 HydrophobicContact CG-CD2 4.41Å; K129-W219 HydrophobicContact CG-CE3 4.24Å; K129-W219 HydrophobicContact CG-CH2 3.74Å; K129-W219 HydrophobicContact CG-CZ2 3.91Å; K129-W219 HydrophobicContact CG-CZ3 3.9Å; K129-D220 HydrophobicContact CD-CB 4.13Å |
| 130 | K | 86.1 | Confident | 87.6 | Confident | 165 Ų | 165 | 53.5 Ų | 53.5 | 72% | 0.717 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -78 | -36.4 | 179.1 | -72.7 | 172.9 | -175.3 | 173.9 | 0 | 112 | E126 N127 L128 | E126-K130 WeakPolarHBondContact O-CG 3.35Å; E126-K130 PolarHBondContact O-N 2.81Å; N127-K130 PolarHBondContact O-N 2.68Å; L128-K130 VanDerWaalsContact C-N 3.32Å; L128-K130 PolarHBondContact O-N 3.02Å |
| 131 | E | 86.6 | Confident | 87.6 | Confident | 93 Ų | 93 | 52.9 Ų | 52.9 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -90.5 | -30.9 | -170.7 | -68.7 | 167.9 | -167.6 | 0 | 0 | 113.2 | N127 L128 | N127-E131 WeakPolarHBondContact O-CB 3.12Å; N127-E131 WeakPolarHBondContact O-CG 3.44Å; N127-E131 PolarHBondContact O-N 3.19Å; L128-E131 PolarHBondContact O-N 3.32Å |
| 132 | R | 86.8 | Confident | 87.6 | Confident | 34 Ų | 34 | 55.4 Ų | 55.4 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | trans | -132.8 | 133.3 | -166.6 | -57.4 | -173.8 | 179.7 | 180 | -1 | 113 | L64 E65 D72 L128 W219 | L64-R132 HydrophobicContact CB-CB 4.09Å; L64-R132 HydrophobicContact CD1-CB 4.22Å; L64-R132 HydrophobicContact CD2-CB 4.25Å; L64-R132 HydrophobicContact CG-CB 4.41Å; E65-R132 WeakPolarHBondContact O-CD 3.27Å; E65-R132 WeakPolarHBondContact O-CG 3.33Å; D72-R132 IonicContact OD2-CZ 3.43Å; D72-R132 IonicContact OD2-NH2 3.04Å; D72-R132 PolarHBondContact OD2-NH2 3.45Å; L128-R132 PolarHBondContact O-N 3.27Å; R132-W219 PolarHBondContact O-NE1 2.85Å | ||
| 133 | K | 89.2 | Confident | 87.6 | Confident | 103 Ų | 103 | 57.1 Ų | 57.1 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -95.6 | 165.1 | 170.6 | -66.9 | -178.2 | -178.8 | 177 | 0 | 110.4 | L64 E65 L218 | L64-K133 WeakPolarHBondContact CA-O 3.43Å; E65-K133 PolarHBondContact N-O 2.61Å; K133-L218 HydrophobicContact CG-CD2 4.44Å |
| 134 | L | 89.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 139.8 | 171.1 | -66.3 | 168.4 | 0 | 0 | 0 | 110.7 | L63 L64 A136 L141 V213 N217 W219 | L63-L134 HydrophobicContact CB-CD2 3.73Å; L63-L134 HydrophobicContact CD1-CD2 4.47Å; L63-L134 CarbonylContact O-C 3.57Å; L63-L134 WeakPolarHBondContact O-CA 3.48Å; L64-L134 HydrophobicContact CD2-CD2 3.91Å; L134-A136 PolarHBondContact O-N 3.47Å; L134-L141 HydrophobicContact CB-CD2 3.85Å; L134-L141 HydrophobicContact CD1-CD2 4.19Å; L134-L141 HydrophobicContact CD2-CD2 4.46Å; L134-L141 HydrophobicContact CG-CD2 4.4Å; L134-V213 HydrophobicContact CD1-CB 4.29Å; L134-V213 HydrophobicContact CD1-CG1 3.88Å; L134-V213 HydrophobicContact CD1-CG2 3.57Å; L134-N217 HydrophobicContact CB-CB 4.01Å; L134-N217 PolarHBondContact N-O 2.89Å; L134-N217 WeakPolarHBondContact O-CB 3.37Å; L134-N217 PolarHBondContact O-ND2 3.39Å; L134-N217 VanDerWaalsContact O-ND2 3.13Å; L134-W219 HydrophobicContact CD1-CB 3.66Å; L134-W219 HydrophobicContact CD1-CG 4.09Å; L134-W219 HydrophobicContact CD2-CG 4.35Å; L134-W219 HydrophobicContact CG-CB 4.01Å; L134-W219 HydrophobicContact CG-CG 3.88Å |
| 135 | S | 88.6 | Confident | 87.7 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 16% | 0.161 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 118 | 177.8 | -66.6 | 0 | 0 | 0 | 0 | 110.9 | L63 L64 E65 D137 H138 | L63-S135 WeakPolarHBondContact O-CB 3.36Å; L63-S135 PolarHBondContact O-N 3.28Å; L63-S135 PolarHBondContact O-OG 2.85Å; L64-S135 PolarHBondContact O-OG 3.17Å; E65-S135 PolarHBondContact N-OG 3.5Å; S135-D137 PolarHBondContact O-N 3.33Å; S135-H138 PolarHBondContact O-N 3.26Å |
| 136 | A | 83.3 | Confident | 87.5 | Confident | 39 Ų | 39 | 65.3 Ų | 65.3 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -32.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L134 N142 N217 | L134-A136 PolarHBondContact O-N 3.47Å; A136-N142 PolarHBondContact O-ND2 3.07Å; A136-N142 PolarHBondContact O-OD1 3.06Å; A136-N217 VanDerWaalsContact CA-ND2 3.34Å; A136-N217 WeakPolarHBondContact CA-ND2 3.17Å; A136-N217 VanDerWaalsContact CB-ND2 3.29Å; A136-N217 WeakPolarHBondContact CB-ND2 3.09Å; A136-N217 PolarHBondContact N-ND2 2.81Å |
| 137 | D | 86.3 | Confident | 87.3 | Confident | 156 Ų | 156 | 66.6 Ų | 66.6 | 83% | 0.834 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.8 | -171.2 | -63.3 | -24.8 | 0 | 0 | 0 | 113.3 | S135 S139 | S135-D137 PolarHBondContact O-N 3.33Å; D137-S139 PolarHBondContact O-N 3.1Å |
| 138 | H | 89.9 | Confident | 87.1 | Confident | 30 Ų | 30 | 66.8 Ų | 66.8 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | trans | -70.5 | 115.4 | -179.2 | -164.5 | -56.4 | 0 | 0 | 0 | 110.8 | Y58 D62 S135 F140 L141 N142 | Y58-H138 AromaticContact CD1-CE1 3.69Å; Y58-H138 AromaticContact CD1-NE2 3.68Å; Y58-H138 AromaticContact CE1-CE1 3.4Å; Y58-H138 VanDerWaalsContact CE1-CE1 3.4Å; Y58-H138 WeakPolarHBondContact CE1-CE1 3.23Å; Y58-H138 AromaticContact CE1-NE2 3.66Å; Y58-H138 AromaticContact CZ-CE1 3.84Å; D62-H138 PolarHBondContact O-CD2 3.46Å; S135-H138 PolarHBondContact O-N 3.26Å; H138-F140 PolarHBondContact ND1-N 3.32Å; H138-F140 PolarHBondContact O-N 3.29Å; H138-L141 HydrophobicContact CB-CB 4.03Å; H138-L141 PolarHBondContact O-N 3.39Å; H138-N142 PolarHBondContact O-N 3.37Å; H138-N142 PolarHBondContact O-ND2 3.22Å | ||
| 139 | S | 91.2 | Very high | 87 | Confident | 85 Ų | 85 | 68.8 Ų | 68.8 | 59% | 0.594 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -56 | -52.1 | -174.5 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | D137 L141 N142 E143 | D137-S139 PolarHBondContact O-N 3.1Å; S139-L141 PolarHBondContact O-N 2.93Å; S139-N142 PolarHBondContact O-N 2.97Å; S139-E143 PolarHBondContact O-N 3.32Å |
| 140 | F | 90.9 | Very high | 87.2 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 9% | 0.088 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.3 | -47.7 | 177.2 | 170.3 | -101.3 | 0 | 0 | 0 | 112.5 | L38 T56 Y58 L63 H138 N142 E143 M144 L151 | L38-F140 HydrophobicContact CD1-CE1 4.44Å; T56-F140 HydrophobicContact CG2-CE2 4.38Å; T56-F140 HydrophobicContact CG2-CZ 3.93Å; Y58-F140 HydrophobicContact CD2-CB 3.99Å; Y58-F140 AromaticContact CD2-CD1 3.54Å; Y58-F140 HydrophobicContact CD2-CD1 3.54Å; Y58-F140 AromaticContact CD2-CD2 3.82Å; Y58-F140 HydrophobicContact CD2-CD2 3.82Å; Y58-F140 AromaticContact CD2-CE1 3.9Å; Y58-F140 HydrophobicContact CD2-CE1 3.9Å; Y58-F140 HydrophobicContact CD2-CE2 4.15Å; Y58-F140 AromaticContact CD2-CG 3.5Å; Y58-F140 HydrophobicContact CD2-CG 3.5Å; Y58-F140 VanDerWaalsContact CD2-CG 3.5Å; Y58-F140 HydrophobicContact CD2-CZ 4.19Å; Y58-F140 HydrophobicContact CE2-CB 3.46Å; Y58-F140 VanDerWaalsContact CE2-CB 3.46Å; Y58-F140 AromaticContact CE2-CD1 3.93Å; Y58-F140 HydrophobicContact CE2-CD1 3.93Å; Y58-F140 AromaticContact CE2-CD2 3.6Å; Y58-F140 HydrophobicContact CE2-CD2 3.6Å; Y58-F140 HydrophobicContact CE2-CE2 4.3Å; Y58-F140 AromaticContact CE2-CG 3.38Å; Y58-F140 HydrophobicContact CE2-CG 3.38Å; Y58-F140 HydrophobicContact CG-CD1 4.13Å; Y58-F140 HydrophobicContact CG-CG 4.41Å; L63-F140 HydrophobicContact CD2-CD1 4.15Å; H138-F140 PolarHBondContact ND1-N 3.32Å; H138-F140 PolarHBondContact O-N 3.29Å; F140-N142 VanDerWaalsContact C-N 3.29Å; F140-N142 PolarHBondContact O-N 3.39Å; F140-E143 PolarHBondContact O-N 2.96Å; F140-M144 HydrophobicContact CD1-CG 4.28Å; F140-M144 HydrophobicContact CD2-CE 4.16Å; F140-M144 HydrophobicContact CD2-CG 4.04Å; F140-M144 HydrophobicContact CD2-SD 4.5Å; F140-M144 HydrophobicContact CE1-CG 3.94Å; F140-M144 HydrophobicContact CE2-CE 3.9Å; F140-M144 HydrophobicContact CE2-CG 3.67Å; F140-M144 HydrophobicContact CE2-SD 3.8Å; F140-M144 HydrophobicContact CG-CG 4.33Å; F140-M144 HydrophobicContact CZ-CG 3.61Å; F140-M144 HydrophobicContact CZ-SD 4.01Å; F140-M144 VanDerWaalsContact O-CG 3.23Å; F140-M144 WeakPolarHBondContact O-CG 3.07Å; F140-M144 PolarHBondContact O-N 3.19Å; F140-L151 HydrophobicContact CE1-CD2 4.23Å; F140-L151 HydrophobicContact CZ-CD2 4.08Å |
| 141 | L | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -39.8 | -179.9 | -176.7 | 61.1 | 0 | 0 | 0 | 111.8 | L63 L134 H138 S139 M144 R145 L151 F232 | L63-L141 HydrophobicContact CD1-CD1 4.22Å; L63-L141 HydrophobicContact CD2-CB 4.41Å; L134-L141 HydrophobicContact CB-CD2 3.85Å; L134-L141 HydrophobicContact CD1-CD2 4.19Å; L134-L141 HydrophobicContact CD2-CD2 4.46Å; L134-L141 HydrophobicContact CG-CD2 4.4Å; H138-L141 HydrophobicContact CB-CB 4.03Å; H138-L141 PolarHBondContact O-N 3.39Å; S139-L141 PolarHBondContact O-N 2.93Å; L141-M144 PolarHBondContact O-N 3.5Å; L141-R145 VanDerWaalsContact O-CB 3.23Å; L141-R145 WeakPolarHBondContact O-CB 3.37Å; L141-R145 PolarHBondContact O-N 3.1Å; L141-L151 HydrophobicContact CD1-CD1 3.96Å; L141-F232 HydrophobicContact CD1-CE1 3.92Å; L141-F232 HydrophobicContact CD1-CZ 3.79Å |
| 142 | N | 87.2 | Confident | 87.8 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 32% | 0.316 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 177.2 | -75 | -34.8 | 0 | 0 | 0 | 112.6 | A136 H138 S139 F140 R145 Y146 | A136-N142 PolarHBondContact O-ND2 3.07Å; A136-N142 PolarHBondContact O-OD1 3.06Å; H138-N142 PolarHBondContact O-N 3.37Å; H138-N142 PolarHBondContact O-ND2 3.22Å; S139-N142 PolarHBondContact O-N 2.97Å; F140-N142 VanDerWaalsContact C-N 3.29Å; F140-N142 PolarHBondContact O-N 3.39Å; N142-R145 PolarHBondContact O-N 3.13Å; N142-R145 PolarHBondContact OD1-NH1 3.03Å; N142-Y146 WeakPolarHBondContact O-CB 3.18Å; N142-Y146 PolarHBondContact O-N 3.36Å |
| 143 | E | 88.1 | Confident | 88.2 | Confident | 111 Ų | 111 | 55.6 Ų | 55.6 | 52% | 0.519 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 174 | -171.7 | 177.7 | 174.7 | 0 | 0 | 111.3 | S139 F140 R145 Y146 H147 | S139-E143 PolarHBondContact O-N 3.32Å; F140-E143 PolarHBondContact O-N 2.96Å; E143-R145 VanDerWaalsContact C-N 3.31Å; E143-R145 PolarHBondContact O-N 3.48Å; E143-Y146 PolarHBondContact O-N 2.84Å; E143-H147 PolarHBondContact O-CD2 3.12Å; E143-H147 VanDerWaalsContact O-CD2 3.24Å; E143-H147 PolarHBondContact O-N 2.99Å |
| 144 | M | 89 | Confident | 88.5 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 5% | 0.054 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 176.9 | -63.2 | -61.3 | 107.9 | 0 | 0 | 111.8 | L40 F140 L141 E148 K149 L151 F232 | L40-M144 HydrophobicContact CD1-SD 4.24Å; L40-M144 HydrophobicContact CD2-SD 4.09Å; F140-M144 HydrophobicContact CD1-CG 4.28Å; F140-M144 HydrophobicContact CD2-CE 4.16Å; F140-M144 HydrophobicContact CD2-CG 4.04Å; F140-M144 HydrophobicContact CD2-SD 4.5Å; F140-M144 HydrophobicContact CE1-CG 3.94Å; F140-M144 HydrophobicContact CE2-CE 3.9Å; F140-M144 HydrophobicContact CE2-CG 3.67Å; F140-M144 HydrophobicContact CE2-SD 3.8Å; F140-M144 HydrophobicContact CG-CG 4.33Å; F140-M144 HydrophobicContact CZ-CG 3.61Å; F140-M144 HydrophobicContact CZ-SD 4.01Å; F140-M144 VanDerWaalsContact O-CG 3.23Å; F140-M144 WeakPolarHBondContact O-CG 3.07Å; F140-M144 PolarHBondContact O-N 3.19Å; L141-M144 PolarHBondContact O-N 3.5Å; M144-E148 PolarHBondContact O-N 2.83Å; M144-K149 HydrophobicContact CE-CD 4.29Å; M144-K149 PolarHBondContact O-N 3.08Å; M144-K149 HydrophobicContact SD-CB 3.97Å; M144-K149 HydrophobicContact SD-CD 3.84Å; M144-K149 HydrophobicContact SD-CG 4.43Å; M144-L151 HydrophobicContact CB-CD1 4.36Å; M144-L151 HydrophobicContact CB-CD2 4.24Å; M144-L151 HydrophobicContact CB-CG 4.46Å; M144-L151 HydrophobicContact CG-CD2 3.94Å; M144-L151 HydrophobicContact SD-CD2 4.34Å; M144-F232 VanDerWaalsContact C-CE2 3.42Å; M144-F232 HydrophobicContact CB-CE2 3.85Å; M144-F232 HydrophobicContact CB-CZ 4.04Å; M144-F232 WeakPolarHBondContact O-CE2 3.35Å |
| 145 | R | 85.5 | Confident | 88.6 | Confident | 63 Ų | 63 | 51.3 Ų | 51.3 | 24% | 0.238 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 174.2 | -178.3 | -176.2 | -70.7 | 153.6 | -12.9 | 111.8 | L141 N142 E143 H147 E148 N217 F232 | L141-R145 VanDerWaalsContact O-CB 3.23Å; L141-R145 WeakPolarHBondContact O-CB 3.37Å; L141-R145 PolarHBondContact O-N 3.1Å; N142-R145 PolarHBondContact O-N 3.13Å; N142-R145 PolarHBondContact OD1-NH1 3.03Å; E143-R145 VanDerWaalsContact C-N 3.31Å; E143-R145 PolarHBondContact O-N 3.48Å; R145-H147 VanDerWaalsContact C-N 3.32Å; R145-H147 PolarHBondContact O-N 2.93Å; R145-E148 PolarHBondContact O-N 3.04Å; R145-N217 PolarHBondContact NH2-OD1 3.41Å; R145-F232 HydrophobicContact CB-CD1 3.79Å; R145-F232 HydrophobicContact CB-CE1 3.67Å; R145-F232 HydrophobicContact CB-CE2 4.4Å; R145-F232 HydrophobicContact CB-CG 4.21Å; R145-F232 HydrophobicContact CB-CZ 4Å; R145-F232 HydrophobicContact CG-CD1 3.78Å; R145-F232 HydrophobicContact CG-CE1 4.12Å; R145-F232 HydrophobicContact CG-CG 4.24Å |
| 146 | Y | 82.3 | Confident | 88.8 | Confident | 189 Ų | 189 | 52.6 Ų | 52.6 | 74% | 0.741 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.3 | -40 | 179.1 | 177 | -101.1 | 0 | 0 | 0 | 112.1 | N142 E143 E148 | N142-Y146 WeakPolarHBondContact O-CB 3.18Å; N142-Y146 PolarHBondContact O-N 3.36Å; E143-Y146 PolarHBondContact O-N 2.84Å; Y146-E148 VanDerWaalsContact C-N 3.31Å |
| 147 | H | 82 | Confident | 89.4 | Confident | 83 Ų | 83 | 50.7 Ų | 50.7 | 38% | 0.384 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 3.4 | 177.4 | -69 | -62.9 | 0 | 0 | 0 | 114.2 | E143 R145 K149 | E143-H147 PolarHBondContact O-CD2 3.12Å; E143-H147 VanDerWaalsContact O-CD2 3.24Å; E143-H147 PolarHBondContact O-N 2.99Å; R145-H147 VanDerWaalsContact C-N 3.32Å; R145-H147 PolarHBondContact O-N 2.93Å; H147-K149 HydrophobicContact CB-CG 4.01Å; H147-K149 PolarHBondContact O-N 3.1Å; H147-K149 VanDerWaalsContact O-N 3.12Å |
| 148 | E | 84.1 | Confident | 89.7 | Confident | 81 Ų | 81 | 43.4 Ų | 43.4 | 38% | 0.379 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 33.9 | -177 | -57.2 | -179.6 | 146.1 | 0 | 0 | 112.8 | M144 R145 Y146 K234 | M144-E148 PolarHBondContact O-N 2.83Å; R145-E148 PolarHBondContact O-N 3.04Å; Y146-E148 VanDerWaalsContact C-N 3.31Å; E148-K234 WeakPolarHBondContact OE1-CA 3.07Å |
| 149 | K | 86.1 | Confident | 89.9 | Confident | 46 Ų | 46 | 42.5 Ų | 42.5 | 20% | 0.2 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 133.8 | -179.1 | -75.3 | -167.6 | 176.1 | -167.5 | 0 | 110.7 | M144 H147 L151 F232 D309 | M144-K149 HydrophobicContact CE-CD 4.29Å; M144-K149 PolarHBondContact O-N 3.08Å; M144-K149 HydrophobicContact SD-CB 3.97Å; M144-K149 HydrophobicContact SD-CD 3.84Å; M144-K149 HydrophobicContact SD-CG 4.43Å; H147-K149 HydrophobicContact CB-CG 4.01Å; H147-K149 PolarHBondContact O-N 3.1Å; H147-K149 VanDerWaalsContact O-N 3.12Å; K149-L151 PolarHBondContact O-N 3.22Å; K149-F232 WeakPolarHBondContact O-CD2 3.34Å; K149-F232 WeakPolarHBondContact O-CE2 3.3Å; K149-D309 PolarHBondContact NZ-O 3.03Å; K149-D309 IonicContact NZ-OD2 3.78Å; K149-D309 PolarHBondContact NZ-OD2 3.08Å |
| 150 | N | 89.4 | Confident | 89.9 | Confident | 44 Ų | 44 | 38.7 Ų | 38.7 | 24% | 0.235 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -72.2 | 128.3 | 175 | -77.2 | -19.7 | 0 | 0 | 0 | 111 | L40 Y152 L210 Q230 T231 | L40-N150 WeakPolarHBondContact CD2-O 3.21Å; N150-Y152 HydrophobicContact CB-CD2 4.49Å; N150-Y152 HydrophobicContact CB-CE2 3.64Å; N150-L210 HydrophobicContact CB-CD1 3.91Å; N150-Q230 WeakPolarHBondContact OD1-CA 3.38Å; N150-T231 WeakPolarHBondContact CA-OG1 3.35Å; N150-T231 PolarHBondContact OD1-N 3.41Å |
| 151 | L | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.7 | 174.2 | -62.7 | -178 | 0 | 0 | 0 | 109.8 | L40 F140 L141 M144 K149 L211 T231 F232 | L40-L151 HydrophobicContact CD2-CD2 3.45Å; L40-L151 VanDerWaalsContact CD2-CD2 3.45Å; F140-L151 HydrophobicContact CE1-CD2 4.23Å; F140-L151 HydrophobicContact CZ-CD2 4.08Å; L141-L151 HydrophobicContact CD1-CD1 3.96Å; M144-L151 HydrophobicContact CB-CD1 4.36Å; M144-L151 HydrophobicContact CB-CD2 4.24Å; M144-L151 HydrophobicContact CB-CG 4.46Å; M144-L151 HydrophobicContact CG-CD2 3.94Å; M144-L151 HydrophobicContact SD-CD2 4.34Å; K149-L151 PolarHBondContact O-N 3.22Å; L151-L211 HydrophobicContact CB-CB 4.25Å; L151-L211 HydrophobicContact CB-CD2 4.3Å; L151-L211 HydrophobicContact CD1-CD2 4.23Å; L151-L211 PolarHBondContact O-N 2.98Å; L151-T231 HydrophobicContact CB-CG2 3.96Å; L151-T231 HydrophobicContact CD1-CG2 4.36Å; L151-T231 HydrophobicContact CG-CG2 4.12Å; L151-T231 PolarHBondContact N-OG1 3.15Å; L151-T231 PolarHBondContact O-OG1 3.05Å; L151-F232 HydrophobicContact CD1-CE2 4.3Å; L151-F232 HydrophobicContact CD1-CZ 3.89Å; L151-F232 HydrophobicContact CG-CE2 4.3Å; L151-F232 HydrophobicContact CG-CZ 4.39Å |
| 152 | Y | 93.5 | Very high | 89.7 | Confident | 25 Ų | 25 | 44 Ų | 44 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140.4 | 176.5 | -60.3 | -94.2 | 0 | 0 | 0 | 109.4 | L38 V39 R41 Y53 N150 V208 R209 L210 | L38-Y152 WeakPolarHBondContact CA-O 3.36Å; V39-Y152 PolarHBondContact N-O 3.34Å; V39-Y152 PolarHBondContact O-N 3.03Å; R41-Y152 HydrophobicContact CB-CE2 3.94Å; Y53-Y152 HydrophobicContact CD1-CD2 4.09Å; Y53-Y152 HydrophobicContact CD1-CG 4.31Å; Y53-Y152 AromaticContact CE1-CD1 3.97Å; Y53-Y152 HydrophobicContact CE1-CD1 3.97Å; Y53-Y152 AromaticContact CE1-CD2 3.6Å; Y53-Y152 HydrophobicContact CE1-CD2 3.6Å; Y53-Y152 HydrophobicContact CE1-CE1 4.3Å; Y53-Y152 AromaticContact CE1-CE2 3.95Å; Y53-Y152 HydrophobicContact CE1-CE2 3.95Å; Y53-Y152 AromaticContact CE1-CG 3.62Å; Y53-Y152 HydrophobicContact CE1-CG 3.62Å; N150-Y152 HydrophobicContact CB-CD2 4.49Å; N150-Y152 HydrophobicContact CB-CE2 3.64Å; Y152-V208 HydrophobicContact CD1-CG2 3.91Å; Y152-V208 HydrophobicContact CG-CG2 4.15Å; Y152-R209 WeakPolarHBondContact CA-O 3.5Å; Y152-L210 HydrophobicContact CD1-CB 4.23Å; Y152-L210 HydrophobicContact CD1-CD1 4.04Å; Y152-L210 HydrophobicContact CE1-CB 4.13Å; Y152-L210 HydrophobicContact CE1-CD1 3.6Å; Y152-L210 HydrophobicContact CE1-CG 4.48Å; Y152-L210 HydrophobicContact CE2-CD1 4.3Å |
| 153 | V | 94.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.9 | 178.4 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | L38 L60 M155 V208 R209 L211 I221 | L38-V153 HydrophobicContact CD2-CB 4.36Å; L38-V153 HydrophobicContact CD2-CG2 3.49Å; L38-V153 VanDerWaalsContact CD2-CG2 3.49Å; L60-V153 HydrophobicContact CB-CG1 4.32Å; L60-V153 HydrophobicContact CD1-CG2 4.41Å; L60-V153 HydrophobicContact CD2-CG1 4.39Å; V153-M155 HydrophobicContact CB-SD 4.13Å; V153-M155 HydrophobicContact CG1-SD 3.8Å; V153-M155 PolarHBondContact O-N 2.96Å; V153-V208 CarbonylContact O-C 3.56Å; V153-V208 WeakPolarHBondContact O-CA 3.49Å; V153-V208 WeakPolarHBondContact O-CB 3.43Å; V153-R209 PolarHBondContact N-O 3.41Å; V153-R209 PolarHBondContact O-N 3.39Å; V153-L211 HydrophobicContact CG2-CB 4.02Å; V153-I221 HydrophobicContact CB-CD1 3.98Å; V153-I221 HydrophobicContact CG1-CD1 4.13Å; V153-I221 HydrophobicContact CG2-CD1 3.83Å |
| 154 | V | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 117.7 | 171.1 | -179.3 | 0 | 0 | 0 | 0 | 109 | R34 P35 F36 C37 V39 Y206 V208 | R34-V154 VanDerWaalsContact O-CB 3.3Å; R34-V154 WeakPolarHBondContact O-CB 3.49Å; P35-V154 WeakPolarHBondContact CA-O 3.27Å; F36-V154 PolarHBondContact N-O 2.83Å; C37-V154 HydrophobicContact CB-CG2 4.32Å; C37-V154 PolarHBondContact O-N 3.48Å; V39-V154 HydrophobicContact CG1-CG2 4.2Å; V154-Y206 HydrophobicContact CG2-CD2 4.23Å; V154-V208 HydrophobicContact CG2-CG1 4.03Å |
| 155 | M | 91.8 | Very high | 89.9 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 6% | 0.064 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -25.2 | -177.8 | -61.9 | -54 | -63.3 | 0 | 0 | 112.5 | S119 V120 L125 V153 R207 R209 I221 | S119-M155 WeakPolarHBondContact CA-O 3.28Å; V120-M155 HydrophobicContact CB-CE 3.84Å; V120-M155 HydrophobicContact CG1-CE 4.01Å; V120-M155 HydrophobicContact CG2-CE 4.16Å; V120-M155 PolarHBondContact N-O 3.22Å; L125-M155 HydrophobicContact CD2-CE 3.81Å; V153-M155 HydrophobicContact CB-SD 4.13Å; V153-M155 HydrophobicContact CG1-SD 3.8Å; V153-M155 PolarHBondContact O-N 2.96Å; M155-R207 PolarHBondContact N-O 2.88Å; M155-R209 HydrophobicContact CG-CB 3.8Å; M155-R209 HydrophobicContact CG-CG 4.04Å; M155-I221 HydrophobicContact CE-CD1 4.4Å; M155-I221 HydrophobicContact CE-CG2 4.5Å; M155-I221 HydrophobicContact CG-CG2 4.48Å; M155-I221 HydrophobicContact SD-CD1 3.83Å; M155-I221 HydrophobicContact SD-CG2 4.11Å |
| 156 | E | 93.4 | Very high | 89.9 | Confident | 49 Ų | 49 | 40.5 Ų | 40.5 | 23% | 0.229 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 141.8 | 179.9 | 176 | -175.9 | 91.3 | 0 | 0 | 109.1 | T117 L118 Y206 R207 | T117-E156 HydrophobicContact CG2-CG 3.32Å; L118-E156 CarbonylContact O-C 3.56Å; L118-E156 VanDerWaalsContact O-CA 3.25Å; L118-E156 WeakPolarHBondContact O-CA 3.49Å; E156-Y206 CarbonylContact O-C 3.54Å; E156-Y206 WeakPolarHBondContact O-CA 3.35Å; E156-R207 HydrophobicContact CB-CB 4.09Å; E156-R207 PolarHBondContact N-O 3.5Å; E156-R207 PolarHBondContact O-N 3.23Å; E156-R207 IonicContact OE1-CZ 2.62Å; E156-R207 IonicContact OE1-NE 3.89Å; E156-R207 PolarHBondContact OE1-NE 3.03Å; E156-R207 VanDerWaalsContact OE1-NE 3.1Å; E156-R207 IonicContact OE1-NH2 2.72Å |
| 157 | A | 94.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 134.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P35 T117 L118 V203 A205 | P35-A157 HydrophobicContact CG-CB 4.13Å; T117-A157 CarbonylContact C-O 3.5Å; T117-A157 WeakPolarHBondContact CA-O 3.3Å; L118-A157 PolarHBondContact N-O 3.33Å; L118-A157 PolarHBondContact O-N 3.21Å; A157-V203 HydrophobicContact CB-CG1 4.23Å; A157-V203 HydrophobicContact CB-CG2 4.4Å; A157-A205 CarbonylContact C-O 3.56Å; A157-A205 WeakPolarHBondContact CA-O 3.32Å |
| 158 | V | 93.6 | Very high | 89.5 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.7 | 170.3 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | L11 L15 L21 V115 Q116 L204 A205 | L11-V158 HydrophobicContact CD2-CG1 4.31Å; L15-V158 HydrophobicContact CD1-CG1 3.96Å; L15-V158 HydrophobicContact CD1-CG2 4.28Å; L21-V158 HydrophobicContact CD1-CG2 4.42Å; L21-V158 HydrophobicContact CD2-CG2 4.27Å; V115-V158 HydrophobicContact CB-CG1 3.89Å; V115-V158 HydrophobicContact CG2-CG1 3.94Å; Q116-V158 CarbonylContact O-C 3.59Å; Q116-V158 WeakPolarHBondContact O-CA 3.4Å; V158-L204 PolarHBondContact O-N 2.95Å; V158-A205 HydrophobicContact CB-CB 4.31Å; V158-A205 HydrophobicContact CG2-CB 4.46Å; V158-A205 PolarHBondContact N-O 2.85Å; V158-A205 PolarHBondContact O-N 3.46Å |
| 159 | E | 93.4 | Very high | 88.5 | Confident | 10 Ų | 10 | 29.6 Ų | 29.6 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 149 | -177.6 | -64.3 | -170.6 | 159.2 | 0 | 0 | 112.5 | R34 V115 Q116 L118 K161 C202 V203 | R34-E159 IonicContact NE-OE1 3.81Å; R34-E159 PolarHBondContact NE-OE1 3.29Å; V115-E159 WeakPolarHBondContact CA-O 3.35Å; Q116-E159 HydrophobicContact CG-CB 4.32Å; Q116-E159 PolarHBondContact N-O 2.83Å; Q116-E159 PolarHBondContact O-N 3.38Å; L118-E159 HydrophobicContact CD1-CG 4.23Å; L118-E159 WeakPolarHBondContact CD1-OE1 3.42Å; L118-E159 WeakPolarHBondContact CD1-OE2 3.31Å; L118-E159 HydrophobicContact CG-CG 4.49Å; E159-K161 PolarHBondContact O-N 3.37Å; E159-C202 CarbonylContact C-O 3.55Å; E159-C202 WeakPolarHBondContact CA-O 3.43Å; E159-V203 HydrophobicContact CG-CG2 4.12Å |
| 160 | A | 91.6 | Very high | 86.6 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 125.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q162 I198 G201 C202 L204 | A160-Q162 VanDerWaalsContact C-N 3.31Å; A160-Q162 PolarHBondContact O-N 3.48Å; A160-I198 HydrophobicContact CB-CG2 3.76Å; A160-G201 PolarHBondContact O-N 3.44Å; A160-C202 PolarHBondContact N-O 3.09Å; A160-L204 HydrophobicContact CB-CD1 4.25Å |
| 161 | K | 88.8 | Confident | 84.1 | Confident | 64 Ų | 64 | 34.9 Ų | 34.9 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -70.2 | -30.4 | -178 | -172.3 | 66.2 | 176 | -164.1 | 0 | 113.1 | E114 Q116 E159 K200 | E114-K161 HydrophobicContact CB-CB 4.12Å; E114-K161 HydrophobicContact CG-CB 3.89Å; E114-K161 HydrophobicContact CG-CG 4.17Å; E114-K161 VanDerWaalsContact O-CB 3.32Å; E114-K161 WeakPolarHBondContact O-CB 3.33Å; E114-K161 PolarHBondContact O-N 3.19Å; Q116-K161 HydrophobicContact CB-CD 4.3Å; Q116-K161 HydrophobicContact CG-CD 4.18Å; E159-K161 PolarHBondContact O-N 3.37Å; K161-K200 VanDerWaalsContact O-CE 3.31Å; K161-K200 WeakPolarHBondContact O-CE 3.45Å; K161-K200 WeakPolarHBondContact O-CG 3.21Å |
| 162 | Q | 87.9 | Confident | 81.3 | Confident | 68 Ų | 68 | 36 Ų | 36 | 32% | 0.318 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -139.5 | 162.1 | -175.3 | 58.6 | -167.1 | -24.1 | 0 | 0 | 110.6 | T104 E114 A160 V164 | T104-Q162 HydrophobicContact CG2-CG 3.85Å; T104-Q162 VanDerWaalsContact CG2-NE2 3.3Å; E114-Q162 PolarHBondContact OE2-NE2 2.85Å; A160-Q162 VanDerWaalsContact C-N 3.31Å; A160-Q162 PolarHBondContact O-N 3.48Å; Q162-V164 HydrophobicContact CG-CG1 4.03Å |
| 163 | E | 91.4 | Very high | 78.4 | Confident | 125 Ų | 125 | 41.1 Ų | 41.1 | 58% | 0.584 | 23% | 0.229 | S | C | * | . | trans | -74.5 | 131.9 | 174.5 | 179.8 | 175 | -133.2 | 0 | 0 | 109.7 | T197 I198 | E163-T197 HydrophobicContact CG-CG2 3.96Å; E163-I198 WeakPolarHBondContact CA-O 3.27Å | ||
| 164 | V | 88.8 | Confident | 75.4 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 150.3 | -178 | -60.8 | 0 | 0 | 0 | 0 | 109.9 | V101 T104 L113 Q162 T197 I198 | V101-V164 HydrophobicContact CG1-CB 3.95Å; V101-V164 HydrophobicContact CG1-CG1 4.14Å; T104-V164 HydrophobicContact CG2-CG1 3.63Å; L113-V164 HydrophobicContact CD2-CB 4.1Å; L113-V164 HydrophobicContact CD2-CG1 4Å; L113-V164 HydrophobicContact CD2-CG2 3.63Å; Q162-V164 HydrophobicContact CG-CG1 4.03Å; V164-T197 CarbonylContact O-C 3.53Å; V164-T197 WeakPolarHBondContact O-CA 3.14Å; V164-I198 HydrophobicContact CG2-CB 3.7Å; V164-I198 HydrophobicContact CG2-CD1 4.13Å; V164-I198 HydrophobicContact CG2-CG1 4.29Å; V164-I198 HydrophobicContact CG2-CG2 4.3Å; V164-I198 PolarHBondContact N-O 3.35Å; V164-I198 PolarHBondContact O-N 3.29Å |
| 165 | T | 88.3 | Confident | 72.7 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 26% | 0.258 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.1 | 169.4 | -55.9 | 0 | 0 | 0 | 0 | 108.5 | K102 A195 V196 T197 | K102-T165 PolarHBondContact N-O 3.38Å; K102-T165 PolarHBondContact O-N 3.13Å; T165-A195 HydrophobicContact CG2-CB 4.22Å; T165-V196 WeakPolarHBondContact CA-O 3.47Å; T165-T197 PolarHBondContact OG1-OG1 2.71Å |
| 166 | V | 85.6 | Confident | 70.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132.4 | 174.8 | -65 | 0 | 0 | 0 | 0 | 109.5 | V3 V7 V99 K100 V101 A195 V196 I198 | V3-V166 HydrophobicContact CG1-CG2 4.4Å; V3-V166 HydrophobicContact CG2-CB 4.26Å; V3-V166 HydrophobicContact CG2-CG2 3.96Å; V7-V166 HydrophobicContact CG2-CG1 4.47Å; V99-V166 HydrophobicContact CG1-CB 3.83Å; V99-V166 HydrophobicContact CG1-CG1 4.27Å; K100-V166 WeakPolarHBondContact O-CA 3.48Å; V101-V166 HydrophobicContact CG2-CG1 4.29Å; V166-A195 CarbonylContact O-C 3.57Å; V166-A195 VanDerWaalsContact O-CA 3.3Å; V166-A195 WeakPolarHBondContact O-CA 3.26Å; V166-V196 HydrophobicContact CG2-CB 4.1Å; V166-V196 WeakPolarHBondContact CG2-O 3.4Å; V166-V196 PolarHBondContact N-O 3.47Å; V166-V196 PolarHBondContact O-N 3.18Å; V166-I198 HydrophobicContact CG1-CD1 3.95Å; V166-I198 HydrophobicContact CG2-CD1 3.88Å; V166-I198 HydrophobicContact CG2-CG1 4.23Å |
| 167 | E | 82.5 | Confident | 67.7 | Low | 30 Ų | 30 | 58 Ų | 58 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.1 | 176.7 | 64.4 | -172.7 | 178.5 | 0 | 0 | 109.9 | V99 K100 K102 T169 A195 | V99-E167 CarbonylContact C-O 3.6Å; V99-E167 WeakPolarHBondContact CA-O 3.39Å; K100-E167 HydrophobicContact CB-CG 3.98Å; K100-E167 PolarHBondContact N-O 3.12Å; K100-E167 PolarHBondContact O-N 2.99Å; K102-E167 WeakPolarHBondContact CE-OE1 3.31Å; K102-E167 IonicContact NZ-OE1 3.7Å; K102-E167 PolarHBondContact NZ-OE1 3.39Å; K102-E167 IonicContact NZ-OE2 2.85Å; K102-E167 PolarHBondContact NZ-OE2 3.36Å; E167-T169 PolarHBondContact O-N 2.92Å; E167-A195 HydrophobicContact CB-CB 4.25Å |
| 168 | Q | 72.7 | Confident | 65.7 | Low | 59 Ų | 59 | 60.6 Ų | 60.6 | 28% | 0.276 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 123.2 | 164.4 | -85.9 | 173.2 | -3.6 | 0 | 0 | 108 | V3 D6 V99 G170 | V3-Q168 HydrophobicContact CB-CG 3.9Å; V3-Q168 HydrophobicContact CG2-CG 3.89Å; D6-Q168 PolarHBondContact OD2-NE2 3.16Å; V99-Q168 HydrophobicContact CG2-CG 4.44Å; Q168-G170 PolarHBondContact O-N 3.36Å |
| 169 | T | 63.3 | Low | 64.1 | Low | 35 Ų | 35 | 64.3 Ų | 64.3 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | trans | -72 | 116.4 | 176.3 | -26 | 0 | 0 | 0 | 0 | 108 | T98 K100 E167 N171 | T98-T169 WeakPolarHBondContact O-CB 3.41Å; T98-T169 PolarHBondContact O-N 2.91Å; T98-T169 PolarHBondContact O-OG1 2.84Å; K100-T169 HydrophobicContact CG-CG2 4.09Å; K100-T169 WeakPolarHBondContact CG-OG1 3.4Å; E167-T169 PolarHBondContact O-N 2.92Å; T169-N171 HydrophobicContact CG2-CB 4.02Å; T169-N171 PolarHBondContact O-N 3.38Å | ||
| 170 | G | 45.6 | Very low | 62.5 | Low | 69 Ų | 69 | 64 Ų | 64 | 71% | 0.711 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 8.7 | 164 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q168 | Q168-G170 PolarHBondContact O-N 3.36Š|
| 171 | N | 37.8 | Very low | 61.1 | Low | 131 Ų | 131 | 64.2 Ų | 64.2 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.3 | 44 | -166.8 | -150.7 | 12.9 | 0 | 0 | 0 | 111.4 | T169 N173 | T169-N171 HydrophobicContact CG2-CB 4.02Å; T169-N171 PolarHBondContact O-N 3.38Å; N171-N173 PolarHBondContact O-N 3.11Å; N171-N173 VanDerWaalsContact O-N 3.12Å |
| 172 | A | 33 | Very low | 59.8 | Low | 25 Ų | 25 | 65 Ų | 65 | 21% | 0.207 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -66.2 | 105.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | A174 F176 | A172-A174 PolarHBondContact O-N 3.48Å; A172-F176 HydrophobicContact CB-CD2 3.46Å; A172-F176 VanDerWaalsContact CB-CD2 3.46Å; A172-F176 HydrophobicContact CB-CE2 3.77Å; A172-F176 HydrophobicContact CB-CG 4.21Å; A172-F176 WeakPolarHBondContact O-CD2 3.3Å |
| 173 | N | 33.1 | Very low | 58.9 | Low | 131 Ų | 131 | 67.5 Ų | 67.5 | 70% | 0.701 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 21.5 | 96.9 | 165.1 | -63.5 | -19.1 | 0 | 0 | 0 | 116.1 | N171 I175 | N171-N173 PolarHBondContact O-N 3.11Å; N171-N173 VanDerWaalsContact O-N 3.12Å; N173-I175 WeakPolarHBondContact O-CA 3.39Å; N173-I175 WeakPolarHBondContact O-CB 3.17Å; N173-I175 WeakPolarHBondContact O-CG1 3.29Å; N173-I175 PolarHBondContact O-N 3.4Å |
| 174 | A | 32.8 | Very low | 57.6 | Low | 110 Ų | 110 | 62.6 Ų | 62.6 | 91% | 0.909 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 38.8 | 13.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 121 | A172 | A172-A174 PolarHBondContact O-N 3.48Š|
| 175 | I | 37.6 | Very low | 56.2 | Low | 96 Ų | 96 | 65.7 Ų | 65.7 | 49% | 0.492 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.4 | -34.3 | -163.4 | -62.3 | 168.2 | 0 | 0 | 0 | 108.5 | N173 S177 E411 | N173-I175 WeakPolarHBondContact O-CA 3.39Å; N173-I175 WeakPolarHBondContact O-CB 3.17Å; N173-I175 WeakPolarHBondContact O-CG1 3.29Å; N173-I175 PolarHBondContact O-N 3.4Å; I175-S177 VanDerWaalsContact C-N 3.34Å; I175-S177 PolarHBondContact O-N 3.17Å; I175-S177 VanDerWaalsContact O-N 3.16Å; I175-E411 WeakPolarHBondContact CG2-OE1 3.49Å; I175-E411 WeakPolarHBondContact CG2-OE2 3.49Å |
| 176 | F | 38.8 | Very low | 54.9 | Low | 116 Ų | 116 | 64.9 Ų | 64.9 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | trans | -86.6 | 30.6 | -175.5 | -71.8 | -85.7 | 0 | 0 | 0 | 116.6 | A172 L178 | A172-F176 HydrophobicContact CB-CD2 3.46Å; A172-F176 VanDerWaalsContact CB-CD2 3.46Å; A172-F176 HydrophobicContact CB-CE2 3.77Å; A172-F176 HydrophobicContact CB-CG 4.21Å; A172-F176 WeakPolarHBondContact O-CD2 3.3Å; F176-L178 PolarHBondContact O-N 2.75Å | ||
| 177 | S | 41.1 | Very low | 53 | Low | 94 Ų | 94 | 73.7 Ų | 73.7 | 66% | 0.657 | 45% | 0.454 | S | S | * | . | trans | -77.5 | 119.9 | 159.4 | 56.7 | 0 | 0 | 0 | 0 | 107.5 | I175 P179 | I175-S177 VanDerWaalsContact C-N 3.34Å; I175-S177 PolarHBondContact O-N 3.17Å; I175-S177 VanDerWaalsContact O-N 3.16Å; S177-P179 WeakPolarHBondContact O-CD 3.44Å | ||
| 178 | L | 51.3 | Low | 51 | Low | 55 Ų | 55 | 73.9 Ų | 73.9 | 29% | 0.288 | 46% | 0.464 | S | S | . | . | trans | -89.1 | 83.8 | 163 | -72.3 | 173.8 | 0 | 0 | 0 | 108.4 | F176 S180 L181 | F176-L178 PolarHBondContact O-N 2.75Å; L178-S180 PolarHBondContact O-N 3.31Å; L178-S180 VanDerWaalsContact O-N 3.1Å; L178-L181 HydrophobicContact CB-CD1 4.49Å; L178-L181 HydrophobicContact CB-CG 4.47Å; L178-L181 HydrophobicContact CD1-CD1 4.34Å; L178-L181 PolarHBondContact O-N 3.01Å | ||
| 179 | P | 60.6 | Low | 49.4 | Very low | 82 Ų | 82 | 74.4 Ų | 74.4 | 53% | 0.532 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.7 | -22.2 | 174.8 | 25.9 | -34.9 | 0 | 0 | 0 | 111.6 | S177 L181 A182 L183 | S177-P179 WeakPolarHBondContact O-CD 3.44Å; P179-L181 VanDerWaalsContact C-N 3.34Å; P179-L181 PolarHBondContact O-N 2.98Å; P179-A182 PolarHBondContact O-N 2.99Å; P179-L183 WeakPolarHBondContact O-CG 3.43Å; P179-L183 PolarHBondContact O-N 2.64Å; P179-L183 VanDerWaalsContact O-N 3.1Å |
| 180 | S | 58.9 | Low | 48.3 | Very low | 3 Ų | 3 | 77.9 Ų | 77.9 | 2% | 0.021 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -57.6 | -37.7 | 178 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | L178 A182 L183 L184 | L178-S180 PolarHBondContact O-N 3.31Å; L178-S180 VanDerWaalsContact O-N 3.1Å; S180-A182 PolarHBondContact O-N 3.33Å; S180-L183 PolarHBondContact O-N 3.4Å; S180-L184 WeakPolarHBondContact O-CG 3.49Å; S180-L184 PolarHBondContact O-N 3.46Å; S180-L184 VanDerWaalsContact O-N 3.09Å |
| 181 | L | 62.3 | Low | 47.9 | Very low | 9 Ų | 9 | 81.4 Ų | 81.4 | 5% | 0.047 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 177.8 | -71.8 | 176.9 | 0 | 0 | 0 | 112.4 | L178 P179 L184 L186 I350 A403 L407 | L178-L181 HydrophobicContact CB-CD1 4.49Å; L178-L181 HydrophobicContact CB-CG 4.47Å; L178-L181 HydrophobicContact CD1-CD1 4.34Å; L178-L181 PolarHBondContact O-N 3.01Å; P179-L181 VanDerWaalsContact C-N 3.34Å; P179-L181 PolarHBondContact O-N 2.98Å; L181-L184 PolarHBondContact O-N 2.99Å; L181-L186 HydrophobicContact CD2-CD1 4.49Å; L181-L186 PolarHBondContact O-N 3Å; L181-L186 VanDerWaalsContact O-O 3.08Å; L181-I350 HydrophobicContact CD2-CD1 4.19Å; L181-A403 HydrophobicContact CD2-CB 3.92Å; L181-A403 HydrophobicContact CG-CB 4.46Å; L181-L407 HydrophobicContact CD1-CD2 4.2Å; L181-L407 HydrophobicContact CD2-CD1 4.12Å |
| 182 | A | 63.2 | Low | 48.1 | Very low | 81 Ų | 81 | 80.3 Ų | 80.3 | 67% | 0.669 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.2 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P179 S180 L184 G185 | P179-A182 PolarHBondContact O-N 2.99Å; S180-A182 PolarHBondContact O-N 3.33Å; A182-L184 VanDerWaalsContact C-N 3.25Å; A182-L184 PolarHBondContact O-N 3.45Å; A182-G185 PolarHBondContact O-N 3.13Å; A182-G185 VanDerWaalsContact O-N 3.15Å |
| 183 | L | 67.3 | Low | 49 | Very low | 121 Ų | 121 | 85.3 Ų | 85.3 | 63% | 0.634 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -32.4 | 175.9 | -70.4 | 169.8 | 0 | 0 | 0 | 112.7 | P179 S180 G185 T399 | P179-L183 WeakPolarHBondContact O-CG 3.43Å; P179-L183 PolarHBondContact O-N 2.64Å; P179-L183 VanDerWaalsContact O-N 3.1Å; S180-L183 PolarHBondContact O-N 3.4Å; L183-G185 PolarHBondContact O-N 2.88Å; L183-T399 HydrophobicContact CB-CG2 4.09Å; L183-T399 HydrophobicContact CD1-CG2 4.3Å |
| 184 | L | 65.4 | Low | 50.6 | Low | 21 Ų | 21 | 82.9 Ų | 82.9 | 11% | 0.11 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 1.8 | 179.1 | -67.4 | 170.6 | 0 | 0 | 0 | 113.9 | S180 L181 A182 L186 K353 T399 L400 A403 | S180-L184 WeakPolarHBondContact O-CG 3.49Å; S180-L184 PolarHBondContact O-N 3.46Å; S180-L184 VanDerWaalsContact O-N 3.09Å; L181-L184 PolarHBondContact O-N 2.99Å; A182-L184 VanDerWaalsContact C-N 3.25Å; A182-L184 PolarHBondContact O-N 3.45Å; L184-L186 HydrophobicContact CB-CB 4.49Å; L184-L186 HydrophobicContact CB-CD1 4.12Å; L184-L186 HydrophobicContact CB-CG 4.12Å; L184-L186 HydrophobicContact CD1-CD1 4.44Å; L184-L186 PolarHBondContact O-N 3.35Å; L184-L186 VanDerWaalsContact O-N 3.12Å; L184-K353 PolarHBondContact O-NZ 3.44Å; L184-T399 HydrophobicContact CD1-CG2 4.22Å; L184-T399 HydrophobicContact CD2-CG2 4.13Å; L184-T399 HydrophobicContact CG-CG2 3.88Å; L184-L400 HydrophobicContact CD1-CD2 3.9Å; L184-L400 HydrophobicContact CD2-CD2 3.56Å; L184-L400 HydrophobicContact CD2-CG 3.86Å; L184-L400 HydrophobicContact CG-CD2 4.36Å; L184-A403 HydrophobicContact CD1-CB 3.81Å |
| 185 | G | 58.4 | Low | 52.9 | Low | 69 Ų | 69 | 80 Ų | 80 | 71% | 0.711 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 16.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A182 L183 Q187 | A182-G185 PolarHBondContact O-N 3.13Å; A182-G185 VanDerWaalsContact O-N 3.15Å; L183-G185 PolarHBondContact O-N 2.88Å; G185-Q187 PolarHBondContact O-N 3.41Å |
| 186 | L | 61.7 | Low | 55.3 | Low | 26 Ų | 26 | 76.3 Ų | 76.3 | 14% | 0.136 | 45% | 0.452 | C | S | . | . | trans | -88.1 | 108.9 | 174.7 | -67.4 | 174.3 | 0 | 0 | 0 | 106.1 | L181 L184 G188 K349 I350 | L181-L186 HydrophobicContact CD2-CD1 4.49Å; L181-L186 PolarHBondContact O-N 3Å; L181-L186 VanDerWaalsContact O-O 3.08Å; L184-L186 HydrophobicContact CB-CB 4.49Å; L184-L186 HydrophobicContact CB-CD1 4.12Å; L184-L186 HydrophobicContact CB-CG 4.12Å; L184-L186 HydrophobicContact CD1-CD1 4.44Å; L184-L186 PolarHBondContact O-N 3.35Å; L184-L186 VanDerWaalsContact O-N 3.12Å; L186-G188 PolarHBondContact O-N 2.79Å; L186-K349 HydrophobicContact CD2-CD 4.42Å; L186-I350 HydrophobicContact CD1-CD1 4.11Å; L186-I350 HydrophobicContact CD1-CG1 3.73Å | ||
| 187 | Q | 45.6 | Very low | 57.8 | Low | 184 Ų | 184 | 74 Ų | 74 | 86% | 0.86 | 45% | 0.448 | S | S | * | . | trans | -68.3 | 86.2 | 174.8 | -166.9 | 172.8 | 7.4 | 0 | 0 | 108.4 | G185 S189 | G185-Q187 PolarHBondContact O-N 3.41Å; Q187-S189 VanDerWaalsContact C-N 3.27Å; Q187-S189 PolarHBondContact O-N 3.16Å | ||
| 188 | G | 40.8 | Very low | 60.2 | Low | 35 Ų | 35 | 69.5 Ų | 69.5 | 36% | 0.361 | 42% | 0.416 | S | S | . | . | trans | -66 | 93.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107 | L186 L190 | L186-G188 PolarHBondContact O-N 2.79Å; G188-L190 PolarHBondContact O-N 2.99Å | ||
| 189 | S | 38.6 | Very low | 62.2 | Low | 70 Ų | 70 | 68.9 Ų | 68.9 | 49% | 0.49 | 42% | 0.416 | S | S | . | . | trans | -66.5 | 74.6 | 155.2 | 176 | 0 | 0 | 0 | 0 | 107.3 | Q187 N191 N192 | Q187-S189 VanDerWaalsContact C-N 3.27Å; Q187-S189 PolarHBondContact O-N 3.16Å; S189-N191 PolarHBondContact O-N 3.41Å; S189-N191 VanDerWaalsContact O-N 3.1Å; S189-N192 PolarHBondContact O-N 2.86Å | ||
| 190 | L | 40.9 | Very low | 63.7 | Low | 108 Ų | 108 | 72.4 Ų | 72.4 | 57% | 0.565 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 12.5 | 164.1 | -131.4 | 129 | 0 | 0 | 0 | 110.5 | G188 | G188-L190 PolarHBondContact O-N 2.99Š|
| 191 | N | 37 | Very low | 65.2 | Low | 143 Ų | 143 | 72.7 Ų | 72.7 | 77% | 0.765 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 14.9 | 167.1 | -87.9 | 7.1 | 0 | 0 | 0 | 112.9 | S189 N193 | S189-N191 PolarHBondContact O-N 3.41Å; S189-N191 VanDerWaalsContact O-N 3.1Å; N191-N193 PolarHBondContact O-N 2.78Å |
| 192 | N | 42.8 | Very low | 66.7 | Low | 107 Ų | 107 | 72.2 Ų | 72.2 | 57% | 0.572 | 42% | 0.424 | S | S | * | . | trans | -73.4 | 89.9 | 156.1 | -82.2 | -6.2 | 0 | 0 | 0 | 106.4 | S189 K194 | S189-N192 PolarHBondContact O-N 2.86Å; N192-K194 HydrophobicContact CB-CG 3.99Å; N192-K194 PolarHBondContact O-N 3.44Å | ||
| 193 | N | 49.9 | Very low | 68.2 | Low | 130 Ų | 130 | 68.4 Ų | 68.4 | 70% | 0.695 | 39% | 0.392 | S | S | * | . | trans | -54.6 | 84.1 | 154.6 | -79.2 | -0.4 | 0 | 0 | 0 | 106.2 | N191 A195 | N191-N193 PolarHBondContact O-N 2.78Å; N193-A195 PolarHBondContact O-N 3.25Å | ||
| 194 | K | 67.8 | Low | 69.5 | Low | 80 Ų | 80 | 62.6 Ų | 62.6 | 35% | 0.348 | 36% | 0.362 | S | S | . | . | trans | -74.9 | 70.9 | 173.1 | -67.8 | -179.9 | -172.3 | 167.8 | 0 | 105.4 | P2 V3 N192 | P2-K194 HydrophobicContact CG-CD 4.37Å; V3-K194 WeakPolarHBondContact CG1-O 3.17Å; N192-K194 HydrophobicContact CB-CG 3.99Å; N192-K194 PolarHBondContact O-N 3.44Å | ||
| 195 | A | 80.8 | Confident | 70.9 | Confident | 51 Ų | 51 | 61.6 Ų | 61.6 | 42% | 0.421 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 132.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | T165 V166 E167 N193 | T165-A195 HydrophobicContact CG2-CB 4.22Å; V166-A195 CarbonylContact O-C 3.57Å; V166-A195 VanDerWaalsContact O-CA 3.3Å; V166-A195 WeakPolarHBondContact O-CA 3.26Å; E167-A195 HydrophobicContact CB-CB 4.25Å; N193-A195 PolarHBondContact O-N 3.25Å |
| 196 | V | 88.3 | Confident | 72.6 | Confident | 18 Ų | 18 | 58.4 Ų | 58.4 | 11% | 0.109 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.7 | 178.6 | 173.8 | 0 | 0 | 0 | 0 | 107.7 | V3 L27 T165 V166 | V3-V196 HydrophobicContact CG1-CB 3.8Å; V3-V196 HydrophobicContact CG1-CG2 3.32Å; L27-V196 HydrophobicContact CD2-CG1 3.15Å; T165-V196 WeakPolarHBondContact CA-O 3.47Å; V166-V196 HydrophobicContact CG2-CB 4.1Å; V166-V196 WeakPolarHBondContact CG2-O 3.4Å; V166-V196 PolarHBondContact N-O 3.47Å; V166-V196 PolarHBondContact O-N 3.18Å |
| 197 | T | 90.8 | Very high | 74.1 | Confident | 67 Ų | 67 | 59.1 Ų | 59.1 | 41% | 0.411 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 117.8 | 172.3 | -57.1 | 0 | 0 | 0 | 0 | 108.6 | E163 V164 T165 P199 | E163-T197 HydrophobicContact CG-CG2 3.96Å; V164-T197 CarbonylContact O-C 3.53Å; V164-T197 WeakPolarHBondContact O-CA 3.14Å; T165-T197 PolarHBondContact OG1-OG1 2.71Å; T197-P199 WeakPolarHBondContact O-CD 3.36Å |
| 198 | I | 92.1 | Very high | 76.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 111.3 | 175.1 | -59.1 | 176.6 | 0 | 0 | 0 | 107.1 | F4 A160 E163 V164 V166 C202 L204 | F4-I198 HydrophobicContact CD2-CD1 4.03Å; F4-I198 HydrophobicContact CD2-CG1 4.04Å; F4-I198 HydrophobicContact CE2-CD1 4.15Å; F4-I198 HydrophobicContact CE2-CG1 4.13Å; A160-I198 HydrophobicContact CB-CG2 3.76Å; E163-I198 WeakPolarHBondContact CA-O 3.27Å; V164-I198 HydrophobicContact CG2-CB 3.7Å; V164-I198 HydrophobicContact CG2-CD1 4.13Å; V164-I198 HydrophobicContact CG2-CG1 4.29Å; V164-I198 HydrophobicContact CG2-CG2 4.3Å; V164-I198 PolarHBondContact N-O 3.35Å; V164-I198 PolarHBondContact O-N 3.29Å; V166-I198 HydrophobicContact CG1-CD1 3.95Å; V166-I198 HydrophobicContact CG2-CD1 3.88Å; V166-I198 HydrophobicContact CG2-CG1 4.23Å; I198-C202 HydrophobicContact CG2-CB 3.7Å; I198-L204 HydrophobicContact CD1-CD2 4.39Å; I198-L204 HydrophobicContact CG2-CD2 4.04Å |
| 199 | P | 93 | Very high | 78.8 | Confident | 42 Ų | 42 | 51.1 Ų | 51.1 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | trans | -67 | 156.9 | 179.3 | -20.2 | 33.1 | 0 | 0 | 0 | 112.1 | F30 T197 G201 C202 | F30-P199 HydrophobicContact CE1-CG 4.34Å; T197-P199 WeakPolarHBondContact O-CD 3.36Å; P199-G201 PolarHBondContact O-N 2.79Å; P199-C202 WeakPolarHBondContact O-CB 3.48Å; P199-C202 PolarHBondContact O-N 2.85Å; P199-C202 VanDerWaalsContact O-N 3.1Å | ||
| 200 | K | 92.1 | Very high | 81.3 | Confident | 155 Ų | 155 | 48 Ų | 48 | 67% | 0.674 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 131.8 | 167.7 | 179.7 | 173 | -176.8 | -177.5 | 0 | 110.9 | K161 C202 | K161-K200 VanDerWaalsContact O-CE 3.31Å; K161-K200 WeakPolarHBondContact O-CE 3.45Å; K161-K200 WeakPolarHBondContact O-CG 3.21Å; K200-C202 VanDerWaalsContact C-N 3.29Å |
| 201 | G | 89.8 | Confident | 83.8 | Confident | 9 Ų | 9 | 42.9 Ų | 42.9 | 9% | 0.093 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 21.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R34 A160 P199 | R34-G201 PolarHBondContact NH2-O 3.45Å; A160-G201 PolarHBondContact O-N 3.44Å; P199-G201 PolarHBondContact O-N 2.79Å |
| 202 | C | 94.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -74.7 | 130.6 | 169.4 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | F30 E159 A160 I198 P199 K200 | F30-C202 HydrophobicContact CD1-CB 4.33Å; F30-C202 VanDerWaalsContact CD1-SG 3.58Å; F30-C202 HydrophobicContact CD2-CB 4.48Å; F30-C202 HydrophobicContact CE1-CB 4.45Å; F30-C202 HydrophobicContact CG-CB 4.41Å; E159-C202 CarbonylContact C-O 3.55Å; E159-C202 WeakPolarHBondContact CA-O 3.43Å; A160-C202 PolarHBondContact N-O 3.09Å; I198-C202 HydrophobicContact CG2-CB 3.7Å; P199-C202 WeakPolarHBondContact O-CB 3.48Å; P199-C202 PolarHBondContact O-N 2.85Å; P199-C202 VanDerWaalsContact O-N 3.1Å; K200-C202 VanDerWaalsContact C-N 3.29Å | ||
| 203 | V | 95 | Very high | 88.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 126.4 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 109 | L24 F30 F33 R34 A157 E159 | L24-V203 HydrophobicContact CD2-CB 4.45Å; L24-V203 VanDerWaalsContact CD2-O 3.23Å; L24-V203 WeakPolarHBondContact CD2-O 3.24Å; F30-V203 HydrophobicContact CB-CB 4.21Å; F30-V203 HydrophobicContact CD2-CG2 4.45Å; F30-V203 WeakPolarHBondContact O-CG2 3.35Å; F33-V203 HydrophobicContact CB-CG1 4.21Å; R34-V203 HydrophobicContact CG-CG2 3.82Å; A157-V203 HydrophobicContact CB-CG1 4.23Å; A157-V203 HydrophobicContact CB-CG2 4.4Å; E159-V203 HydrophobicContact CG-CG2 4.12Å |
| 204 | L | 94.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -39.2 | 178.8 | -58.5 | 179.2 | 0 | 0 | 0 | 111.1 | F4 T8 L11 L24 V115 V158 A160 I198 | F4-L204 HydrophobicContact CE2-CD2 3.78Å; F4-L204 HydrophobicContact CZ-CD2 4.07Å; T8-L204 VanDerWaalsContact CB-O 3.29Å; T8-L204 WeakPolarHBondContact CB-O 3.36Å; T8-L204 HydrophobicContact CG2-CB 4.11Å; T8-L204 HydrophobicContact CG2-CD2 4.33Å; T8-L204 WeakPolarHBondContact CG2-O 3.19Å; L11-L204 HydrophobicContact CD1-CB 4.11Å; L11-L204 HydrophobicContact CD1-CD1 3.62Å; L24-L204 WeakPolarHBondContact CB-O 3.34Å; L24-L204 PolarHBondContact N-O 2.86Å; V115-L204 HydrophobicContact CG1-CD1 3.8Å; V158-L204 PolarHBondContact O-N 2.95Å; A160-L204 HydrophobicContact CB-CD1 4.25Å; I198-L204 HydrophobicContact CD1-CD2 4.39Å; I198-L204 HydrophobicContact CG2-CD2 4.04Å |
| 205 | A | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 156.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | L11 V12 L21 T22 A157 V158 | L11-A205 HydrophobicContact CD2-CB 3.97Å; V12-A205 HydrophobicContact CG2-CB 3.59Å; L21-A205 HydrophobicContact CD1-CB 4.07Å; L21-A205 HydrophobicContact CD2-CB 3.96Å; L21-A205 HydrophobicContact CG-CB 3.85Å; T22-A205 CarbonylContact O-C 3.51Å; T22-A205 VanDerWaalsContact O-CA 3.24Å; T22-A205 WeakPolarHBondContact O-CA 3.31Å; T22-A205 WeakPolarHBondContact O-CB 3.4Å; A157-A205 CarbonylContact C-O 3.56Å; A157-A205 WeakPolarHBondContact CA-O 3.32Å; V158-A205 HydrophobicContact CB-CB 4.31Å; V158-A205 HydrophobicContact CG2-CB 4.46Å; V158-A205 PolarHBondContact N-O 2.85Å; V158-A205 PolarHBondContact O-N 3.46Å |
| 206 | Y | 95.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 152.9 | -178.3 | 62.1 | -85.2 | 0 | 0 | 0 | 111.5 | T22 L24 F33 Y53 V154 E156 V208 | T22-Y206 WeakPolarHBondContact CA-O 3.35Å; T22-Y206 WeakPolarHBondContact CB-O 3.24Å; T22-Y206 HydrophobicContact CG2-CE1 4.05Å; T22-Y206 HydrophobicContact CG2-CE2 4.1Å; T22-Y206 PolarHBondContact N-O 3.41Å; T22-Y206 PolarHBondContact O-N 3.43Å; L24-Y206 HydrophobicContact CB-CE1 4.44Å; L24-Y206 HydrophobicContact CD1-CD1 4.37Å; L24-Y206 HydrophobicContact CD1-CE1 3.83Å; F33-Y206 HydrophobicContact CB-CD1 4.04Å; F33-Y206 HydrophobicContact CB-CE1 4.42Å; F33-Y206 HydrophobicContact CB-CG 4.3Å; F33-Y206 AromaticContact CD1-CD1 3.91Å; F33-Y206 HydrophobicContact CD1-CD1 3.91Å; F33-Y206 HydrophobicContact CD1-CD2 4.19Å; F33-Y206 AromaticContact CD1-CE1 3.5Å; F33-Y206 HydrophobicContact CD1-CE1 3.5Å; F33-Y206 AromaticContact CD1-CE2 3.8Å; F33-Y206 HydrophobicContact CD1-CE2 3.8Å; F33-Y206 HydrophobicContact CD1-CG 4.24Å; F33-Y206 AromaticContact CD1-CZ 3.44Å; F33-Y206 VanDerWaalsContact CD1-CZ 3.44Å; F33-Y206 AromaticContact CE1-CE1 3.98Å; F33-Y206 HydrophobicContact CE1-CE1 3.98Å; F33-Y206 HydrophobicContact CE1-CE2 4.22Å; F33-Y206 AromaticContact CE1-CZ 3.65Å; F33-Y206 WeakPolarHBondContact CE1-OH 3.45Å; F33-Y206 HydrophobicContact CG-CD1 4.25Å; F33-Y206 HydrophobicContact CG-CE1 4.13Å; Y53-Y206 AromaticContact CD2-CE2 3.84Å; Y53-Y206 HydrophobicContact CD2-CE2 3.84Å; Y53-Y206 HydrophobicContact CG-CE2 4.4Å; V154-Y206 HydrophobicContact CG2-CD2 4.23Å; E156-Y206 CarbonylContact O-C 3.54Å; E156-Y206 WeakPolarHBondContact O-CA 3.35Å; Y206-V208 HydrophobicContact CD2-CG1 3.57Å; Y206-V208 HydrophobicContact CE2-CG1 3.75Å |
| 207 | R | 93.4 | Very high | 90.5 | Very high | 42 Ų | 42 | 40.6 Ų | 40.6 | 16% | 0.158 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 132.8 | 176.6 | -176.5 | -173.5 | -56.1 | -72.2 | -0.4 | 108.9 | N16 D20 L21 M155 E156 | N16-R207 PolarHBondContact OD1-NH2 3.09Å; D20-R207 IonicContact OD1-CZ 3.95Å; D20-R207 IonicContact OD1-NH1 2.75Å; D20-R207 PolarHBondContact OD1-NH1 3.34Å; D20-R207 IonicContact OD2-NH1 3.27Å; D20-R207 PolarHBondContact OD2-NH1 3.41Å; L21-R207 HydrophobicContact CD1-CB 4.22Å; M155-R207 PolarHBondContact N-O 2.88Å; E156-R207 HydrophobicContact CB-CB 4.09Å; E156-R207 PolarHBondContact N-O 3.5Å; E156-R207 PolarHBondContact O-N 3.23Å; E156-R207 IonicContact OE1-CZ 2.62Å; E156-R207 IonicContact OE1-NE 3.89Å; E156-R207 PolarHBondContact OE1-NE 3.03Å; E156-R207 VanDerWaalsContact OE1-NE 3.1Å; E156-R207 IonicContact OE1-NH2 2.72Å |
| 208 | V | 92.8 | Very high | 90.4 | Very high | 12 Ų | 12 | 41.4 Ų | 41.4 | 7% | 0.073 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 154.6 | -178.7 | -49.6 | 0 | 0 | 0 | 0 | 111.6 | V39 Y53 Y152 V153 V154 Y206 | V39-V208 HydrophobicContact CG2-CG1 3.85Å; Y53-V208 HydrophobicContact CD2-CG2 4.5Å; Y53-V208 HydrophobicContact CE1-CG2 3.77Å; Y53-V208 HydrophobicContact CE2-CG2 3.7Å; Y53-V208 WeakPolarHBondContact OH-CG2 3.39Å; Y152-V208 HydrophobicContact CD1-CG2 3.91Å; Y152-V208 HydrophobicContact CG-CG2 4.15Å; V153-V208 CarbonylContact O-C 3.56Å; V153-V208 WeakPolarHBondContact O-CA 3.49Å; V153-V208 WeakPolarHBondContact O-CB 3.43Å; V154-V208 HydrophobicContact CG2-CG1 4.03Å; Y206-V208 HydrophobicContact CD2-CG1 3.57Å; Y206-V208 HydrophobicContact CE2-CG1 3.75Å |
| 209 | R | 91.7 | Very high | 90.4 | Very high | 39 Ų | 39 | 42 Ų | 42 | 15% | 0.147 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 147.4 | 168.6 | -76.8 | 165.6 | 49.5 | -171 | -3 | 109.8 | Y152 V153 M155 L211 I221 P222 Y223 | Y152-R209 WeakPolarHBondContact CA-O 3.5Å; V153-R209 PolarHBondContact N-O 3.41Å; V153-R209 PolarHBondContact O-N 3.39Å; M155-R209 HydrophobicContact CG-CB 3.8Å; M155-R209 HydrophobicContact CG-CG 4.04Å; R209-L211 PolarHBondContact O-N 3.48Å; R209-I221 HydrophobicContact CB-CG2 3.39Å; R209-I221 HydrophobicContact CG-CG2 4.44Å; R209-I221 PolarHBondContact NH2-O 2.83Å; R209-P222 VanDerWaalsContact CZ-O 3.23Å; R209-P222 PolarHBondContact NE-O 2.93Å; R209-P222 PolarHBondContact NH2-O 2.94Å; R209-Y223 VanDerWaalsContact CZ-CA 3.44Å; R209-Y223 VanDerWaalsContact NH2-CD1 3.26Å; R209-Y223 VanDerWaalsContact NH2-N 3.15Å |
| 210 | L | 92.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 127.5 | 179.4 | -174.8 | 74.1 | 0 | 0 | 0 | 109.4 | N150 Y152 R212 P222 C225 M229 T231 | N150-L210 HydrophobicContact CB-CD1 3.91Å; Y152-L210 HydrophobicContact CD1-CB 4.23Å; Y152-L210 HydrophobicContact CD1-CD1 4.04Å; Y152-L210 HydrophobicContact CE1-CB 4.13Å; Y152-L210 HydrophobicContact CE1-CD1 3.6Å; Y152-L210 HydrophobicContact CE1-CG 4.48Å; Y152-L210 HydrophobicContact CE2-CD1 4.3Å; L210-R212 HydrophobicContact CD2-CG 4.48Å; L210-P222 VanDerWaalsContact O-CD 3.3Å; L210-P222 WeakPolarHBondContact O-CD 3.44Å; L210-C225 PolarHBondContact N-SG 3Å; L210-M229 HydrophobicContact CD2-CB 3.45Å; L210-M229 VanDerWaalsContact CD2-CB 3.45Å; L210-T231 VanDerWaalsContact CD1-OG1 3.29Å; L210-T231 WeakPolarHBondContact CD1-OG1 3.26Å |
| 211 | L | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -76.9 | 132.3 | 166.9 | 178 | 63.9 | 0 | 0 | 0 | 108.2 | L60 L151 V153 R209 V213 W219 I221 T231 | L60-L211 HydrophobicContact CD1-CD1 4.19Å; L60-L211 HydrophobicContact CD1-CD2 4.43Å; L151-L211 HydrophobicContact CB-CB 4.25Å; L151-L211 HydrophobicContact CB-CD2 4.3Å; L151-L211 HydrophobicContact CD1-CD2 4.23Å; L151-L211 PolarHBondContact O-N 2.98Å; V153-L211 HydrophobicContact CG2-CB 4.02Å; R209-L211 PolarHBondContact O-N 3.48Å; L211-V213 HydrophobicContact CD2-CG2 4.48Å; L211-V213 HydrophobicContact CG-CG2 4.37Å; L211-W219 HydrophobicContact CD1-CB 4.26Å; L211-W219 HydrophobicContact CD1-CD2 4.41Å; L211-W219 HydrophobicContact CD1-CE3 3.69Å; L211-W219 HydrophobicContact CD1-CZ3 4.48Å; L211-I221 HydrophobicContact CD1-CG1 4.05Å; L211-T231 WeakPolarHBondContact O-CA 3.46Å; L211-T231 WeakPolarHBondContact O-CB 3.2Å; L211-T231 WeakPolarHBondContact O-CG2 3.42Å; L211-T231 PolarHBondContact O-OG1 3.14Å | ||
| 212 | R | 90.1 | Very high | 90.1 | Very high | 64 Ų | 64 | 34.8 Ų | 34.8 | 24% | 0.242 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 139.5 | 168.7 | -58.1 | -169.5 | -59.7 | 175.6 | -5.4 | 110.6 | L210 F214 W219 D220 P222 | L210-R212 HydrophobicContact CD2-CG 4.48Å; R212-F214 HydrophobicContact CB-CE2 4.12Å; R212-F214 HydrophobicContact CB-CZ 3.98Å; R212-W219 WeakPolarHBondContact O-CA 3.29Å; R212-W219 WeakPolarHBondContact O-CB 3.25Å; R212-D220 WeakPolarHBondContact CB-OD1 3.42Å; R212-D220 IonicContact CZ-OD1 3.37Å; R212-D220 IonicContact CZ-OD2 3.65Å; R212-D220 PolarHBondContact N-O 3.05Å; R212-D220 IonicContact NE-OD1 2.78Å; R212-D220 PolarHBondContact NE-OD1 3.13Å; R212-D220 IonicContact NE-OD2 3.83Å; R212-D220 VanDerWaalsContact NH2-CG 3.33Å; R212-D220 IonicContact NH2-OD1 3.17Å; R212-D220 PolarHBondContact NH2-OD1 3.45Å; R212-D220 VanDerWaalsContact NH2-OD1 3.17Å; R212-D220 IonicContact NH2-OD2 2.68Å; R212-D220 PolarHBondContact NH2-OD2 3.12Å; R212-D220 PolarHBondContact O-N 3.36Å; R212-P222 HydrophobicContact CG-CG 4.05Å |
| 213 | V | 89.1 | Confident | 89.5 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.8 | 179 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | L134 L211 T231 F232 P233 | L134-V213 HydrophobicContact CD1-CB 4.29Å; L134-V213 HydrophobicContact CD1-CG1 3.88Å; L134-V213 HydrophobicContact CD1-CG2 3.57Å; L211-V213 HydrophobicContact CD2-CG2 4.48Å; L211-V213 HydrophobicContact CG-CG2 4.37Å; V213-T231 HydrophobicContact CG2-CG2 4.05Å; V213-T231 PolarHBondContact N-O 3.35Å; V213-F232 HydrophobicContact CB-CD1 3.94Å; V213-F232 HydrophobicContact CB-CE1 4.01Å; V213-F232 HydrophobicContact CG1-CD1 4.37Å; V213-F232 HydrophobicContact CG1-CE1 4.33Å; V213-F232 HydrophobicContact CG2-CD1 4.13Å; V213-F232 HydrophobicContact CG2-CE1 3.74Å; V213-P233 VanDerWaalsContact O-CD 3.3Å; V213-P233 WeakPolarHBondContact O-CD 3.47Å |
| 214 | F | 85.2 | Confident | 88.7 | Confident | 85 Ų | 85 | 48 Ų | 48 | 37% | 0.373 | 22% | 0.222 | S | C | . | . | trans | -113.3 | -178.9 | 179.4 | -54.3 | -80.8 | 0 | 0 | 0 | 110.8 | R212 N217 L218 D220 | R212-F214 HydrophobicContact CB-CE2 4.12Å; R212-F214 HydrophobicContact CB-CZ 3.98Å; F214-N217 PolarHBondContact O-N 3.14Å; F214-L218 HydrophobicContact CB-CB 4.24Å; F214-L218 PolarHBondContact N-O 3.42Å; F214-D220 HydrophobicContact CE2-CB 4.3Å; F214-D220 WeakPolarHBondContact CE2-OD1 3.5Å | ||
| 215 | L | 78.2 | Confident | 87.8 | Confident | 135 Ų | 135 | 50.6 Ų | 50.6 | 71% | 0.707 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -53.8 | 149.6 | 169.9 | -77.6 | 135.7 | 0 | 0 | 0 | 111 | N217 L218 | L215-N217 PolarHBondContact O-N 3.09Å; L215-L218 PolarHBondContact O-N 3.01Å |
| 216 | F | 79.6 | Confident | 86.8 | Confident | 166 Ų | 166 | 54.6 Ų | 54.6 | 73% | 0.728 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | 59.7 | 29 | -179.1 | -46 | -66.9 | 0 | 0 | 0 | 114.7 | L218 | F216-L218 PolarHBondContact O-N 2.93Å; F216-L218 VanDerWaalsContact O-N 3.09Å |
| 217 | N | 84.6 | Confident | 85.7 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | 56.9 | 23.9 | 179.2 | -64.8 | -27.3 | 0 | 0 | 0 | 114.1 | L134 A136 R145 F214 L215 | L134-N217 HydrophobicContact CB-CB 4.01Å; L134-N217 PolarHBondContact N-O 2.89Å; L134-N217 WeakPolarHBondContact O-CB 3.37Å; L134-N217 PolarHBondContact O-ND2 3.39Å; L134-N217 VanDerWaalsContact O-ND2 3.13Å; A136-N217 VanDerWaalsContact CA-ND2 3.34Å; A136-N217 WeakPolarHBondContact CA-ND2 3.17Å; A136-N217 VanDerWaalsContact CB-ND2 3.29Å; A136-N217 WeakPolarHBondContact CB-ND2 3.09Å; A136-N217 PolarHBondContact N-ND2 2.81Å; R145-N217 PolarHBondContact NH2-OD1 3.41Å; F214-N217 PolarHBondContact O-N 3.14Å; L215-N217 PolarHBondContact O-N 3.09Å |
| 218 | L | 87.9 | Confident | 84.8 | Confident | 84 Ų | 84 | 62.9 Ų | 62.9 | 44% | 0.44 | 32% | 0.316 | S | S | . | . | trans | -70.1 | 148.5 | 166.7 | -64.2 | 174.8 | 0 | 0 | 0 | 108.9 | K133 F214 L215 F216 | K133-L218 HydrophobicContact CG-CD2 4.44Å; F214-L218 HydrophobicContact CB-CB 4.24Å; F214-L218 PolarHBondContact N-O 3.42Å; L215-L218 PolarHBondContact O-N 3.01Å; F216-L218 PolarHBondContact O-N 2.93Å; F216-L218 VanDerWaalsContact O-N 3.09Å | ||
| 219 | W | 92 | Very high | 84.1 | Confident | 14 Ų | 14 | 65 Ų | 65 | 5% | 0.053 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 154.3 | -175.3 | 64.3 | -80.8 | 0 | 0 | 0 | 111.4 | L60 L64 L125 L128 K129 R132 L134 L211 R212 I221 | L60-W219 HydrophobicContact CD1-CE3 4.32Å; L60-W219 HydrophobicContact CD1-CH2 4.39Å; L60-W219 HydrophobicContact CD1-CZ3 4.11Å; L60-W219 HydrophobicContact CD2-CH2 3.76Å; L60-W219 HydrophobicContact CD2-CZ3 3.77Å; L60-W219 HydrophobicContact CG-CH2 4.39Å; L60-W219 HydrophobicContact CG-CZ3 4.46Å; L64-W219 HydrophobicContact CD1-CZ2 4.05Å; L64-W219 HydrophobicContact CD2-CD2 4.44Å; L64-W219 HydrophobicContact CD2-CZ2 3.63Å; L64-W219 VanDerWaalsContact CD2-NE1 3.31Å; L64-W219 HydrophobicContact CG-CZ2 4.5Å; L125-W219 HydrophobicContact CD1-CH2 4.03Å; L125-W219 HydrophobicContact CD1-CZ3 3.97Å; L128-W219 HydrophobicContact CB-CH2 4.15Å; L128-W219 HydrophobicContact CB-CZ2 4.11Å; K129-W219 HydrophobicContact CG-CD2 4.41Å; K129-W219 HydrophobicContact CG-CE3 4.24Å; K129-W219 HydrophobicContact CG-CH2 3.74Å; K129-W219 HydrophobicContact CG-CZ2 3.91Å; K129-W219 HydrophobicContact CG-CZ3 3.9Å; R132-W219 PolarHBondContact O-NE1 2.85Å; L134-W219 HydrophobicContact CD1-CB 3.66Å; L134-W219 HydrophobicContact CD1-CG 4.09Å; L134-W219 HydrophobicContact CD2-CG 4.35Å; L134-W219 HydrophobicContact CG-CB 4.01Å; L134-W219 HydrophobicContact CG-CG 3.88Å; L211-W219 HydrophobicContact CD1-CB 4.26Å; L211-W219 HydrophobicContact CD1-CD2 4.41Å; L211-W219 HydrophobicContact CD1-CE3 3.69Å; L211-W219 HydrophobicContact CD1-CZ3 4.48Å; R212-W219 WeakPolarHBondContact O-CA 3.29Å; R212-W219 WeakPolarHBondContact O-CB 3.25Å; W219-I221 HydrophobicContact CE3-CG1 4.3Å; W219-I221 HydrophobicContact CZ3-CD1 4.06Å; W219-I221 HydrophobicContact CZ3-CG1 4.03Å |
| 220 | D | 91.5 | Very high | 83.7 | Confident | 36 Ų | 36 | 66.7 Ų | 66.7 | 19% | 0.193 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 167.6 | 168 | 77.8 | -6.9 | 0 | 0 | 0 | 111.9 | K129 R212 F214 | K129-D220 HydrophobicContact CD-CB 4.13Å; R212-D220 WeakPolarHBondContact CB-OD1 3.42Å; R212-D220 IonicContact CZ-OD1 3.37Å; R212-D220 IonicContact CZ-OD2 3.65Å; R212-D220 PolarHBondContact N-O 3.05Å; R212-D220 IonicContact NE-OD1 2.78Å; R212-D220 PolarHBondContact NE-OD1 3.13Å; R212-D220 IonicContact NE-OD2 3.83Å; R212-D220 VanDerWaalsContact NH2-CG 3.33Å; R212-D220 IonicContact NH2-OD1 3.17Å; R212-D220 PolarHBondContact NH2-OD1 3.45Å; R212-D220 VanDerWaalsContact NH2-OD1 3.17Å; R212-D220 IonicContact NH2-OD2 2.68Å; R212-D220 PolarHBondContact NH2-OD2 3.12Å; R212-D220 PolarHBondContact O-N 3.36Å; F214-D220 HydrophobicContact CE2-CB 4.3Å; F214-D220 WeakPolarHBondContact CE2-OD1 3.5Å |
| 221 | I | 91.6 | Very high | 83.4 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | trans | -123.2 | 100 | 172.8 | -57.9 | 179.7 | 0 | 0 | 0 | 106.2 | L60 L125 V153 M155 R209 L211 W219 | L60-I221 HydrophobicContact CD2-CD1 4Å; L125-I221 HydrophobicContact CD1-CD1 3.9Å; L125-I221 HydrophobicContact CD1-CG1 4.49Å; L125-I221 HydrophobicContact CD2-CB 4.37Å; V153-I221 HydrophobicContact CB-CD1 3.98Å; V153-I221 HydrophobicContact CG1-CD1 4.13Å; V153-I221 HydrophobicContact CG2-CD1 3.83Å; M155-I221 HydrophobicContact CE-CD1 4.4Å; M155-I221 HydrophobicContact CE-CG2 4.5Å; M155-I221 HydrophobicContact CG-CG2 4.48Å; M155-I221 HydrophobicContact SD-CD1 3.83Å; M155-I221 HydrophobicContact SD-CG2 4.11Å; R209-I221 HydrophobicContact CB-CG2 3.39Å; R209-I221 HydrophobicContact CG-CG2 4.44Å; R209-I221 PolarHBondContact NH2-O 2.83Å; L211-I221 HydrophobicContact CD1-CG1 4.05Å; W219-I221 HydrophobicContact CE3-CG1 4.3Å; W219-I221 HydrophobicContact CZ3-CD1 4.06Å; W219-I221 HydrophobicContact CZ3-CG1 4.03Å | ||
| 222 | P | 87 | Confident | 83.1 | Confident | 14 Ų | 14 | 66.7 Ų | 66.7 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | trans | -59.8 | 139.9 | -178.4 | -26.1 | 36.6 | 0 | 0 | 0 | 112.3 | R209 L210 R212 I224 M229 | R209-P222 VanDerWaalsContact CZ-O 3.23Å; R209-P222 PolarHBondContact NE-O 2.93Å; R209-P222 PolarHBondContact NH2-O 2.94Å; L210-P222 VanDerWaalsContact O-CD 3.3Å; L210-P222 WeakPolarHBondContact O-CD 3.44Å; R212-P222 HydrophobicContact CG-CG 4.05Å; P222-I224 VanDerWaalsContact C-N 3.3Å; P222-I224 WeakPolarHBondContact CB-O 3.4Å; P222-M229 HydrophobicContact CG-SD 4.31Å | ||
| 223 | Y | 80.8 | Confident | 82.6 | Confident | 136 Ų | 136 | 66.8 Ų | 66.8 | 53% | 0.533 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -64.3 | -36.6 | 176 | -66.4 | -80.3 | 0 | 0 | 0 | 112.4 | E126 R209 | E126-Y223 PolarHBondContact OE1-OH 2.82Å; R209-Y223 VanDerWaalsContact CZ-CA 3.44Å; R209-Y223 VanDerWaalsContact NH2-CD1 3.26Å; R209-Y223 VanDerWaalsContact NH2-N 3.15Å |
| 224 | I | 79.2 | Confident | 81.9 | Confident | 141 Ų | 141 | 72.1 Ų | 72.1 | 72% | 0.723 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -112.3 | 116.6 | 174.5 | -59.3 | 172.9 | 0 | 0 | 0 | 106.8 | P222 | P222-I224 VanDerWaalsContact C-N 3.3Å; P222-I224 WeakPolarHBondContact CB-O 3.4Å |
| 225 | C | 73.8 | Confident | 80.9 | Confident | 55 Ų | 55 | 74.8 Ų | 74.8 | 37% | 0.372 | 38% | 0.384 | S | S | . | . | trans | -85 | 137.5 | 172.2 | -68.2 | 0 | 0 | 0 | 0 | 109 | L210 | L210-C225 PolarHBondContact N-SG 3Š| ||
| 226 | N | 74.1 | Confident | 80.2 | Confident | 85 Ų | 85 | 76.6 Ų | 76.6 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | trans | -114.4 | 138.8 | 172.4 | 177.6 | -33.9 | 0 | 0 | 0 | 108 | S228 M229 | N226-S228 VanDerWaalsContact CG-OG 3.28Å; N226-S228 PolarHBondContact O-N 2.92Å; N226-S228 VanDerWaalsContact O-N 3.14Å; N226-S228 WeakPolarHBondContact OD1-CB 3.33Å; N226-S228 PolarHBondContact OD1-N 2.79Å; N226-S228 PolarHBondContact OD1-OG 2.99Å; N226-M229 HydrophobicContact CB-CE 4.01Å; N226-M229 HydrophobicContact CB-CG 4Å; N226-M229 HydrophobicContact CB-SD 4.19Å; N226-M229 VanDerWaalsContact O-CB 3.28Å; N226-M229 WeakPolarHBondContact O-CB 3.37Å; N226-M229 PolarHBondContact O-N 2.7Å | ||
| 227 | D | 71.4 | Confident | 78.9 | Confident | 122 Ų | 122 | 80.2 Ų | 80.2 | 65% | 0.652 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21 | -176.8 | -59.7 | -39.3 | 0 | 0 | 0 | 113.5 | M229 | D227-M229 VanDerWaalsContact C-N 3.33Š|
| 228 | S | 74.6 | Confident | 76.8 | Confident | 94 Ų | 94 | 85.8 Ų | 85.8 | 66% | 0.657 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -12.3 | 173.8 | 64.4 | 0 | 0 | 0 | 0 | 114.1 | N226 | N226-S228 VanDerWaalsContact CG-OG 3.28Å; N226-S228 PolarHBondContact O-N 2.92Å; N226-S228 VanDerWaalsContact O-N 3.14Å; N226-S228 WeakPolarHBondContact OD1-CB 3.33Å; N226-S228 PolarHBondContact OD1-N 2.79Å; N226-S228 PolarHBondContact OD1-OG 2.99Å |
| 229 | M | 79.2 | Confident | 74.7 | Confident | 56 Ų | 56 | 86.7 Ų | 86.7 | 28% | 0.276 | 44% | 0.436 | S | S | . | . | trans | -73.5 | 143.8 | 179.4 | -67.7 | -179.9 | 178.4 | 0 | 0 | 111.1 | L210 P222 N226 D227 | L210-M229 HydrophobicContact CD2-CB 3.45Å; L210-M229 VanDerWaalsContact CD2-CB 3.45Å; P222-M229 HydrophobicContact CG-SD 4.31Å; N226-M229 HydrophobicContact CB-CE 4.01Å; N226-M229 HydrophobicContact CB-CG 4Å; N226-M229 HydrophobicContact CB-SD 4.19Å; N226-M229 VanDerWaalsContact O-CB 3.28Å; N226-M229 WeakPolarHBondContact O-CB 3.37Å; N226-M229 PolarHBondContact O-N 2.7Å; D227-M229 VanDerWaalsContact C-N 3.33Å | ||
| 230 | Q | 83.5 | Confident | 72.1 | Confident | 75 Ų | 75 | 92.5 Ų | 92.5 | 35% | 0.35 | 48% | 0.477 | S | S | . | . | trans | -119.6 | 150.4 | 171.8 | -68.9 | -170.6 | -30.5 | 0 | 0 | 110.1 | N150 | N150-Q230 WeakPolarHBondContact OD1-CA 3.38Š| ||
| 231 | T | 85.9 | Confident | 69.6 | Low | 1 Ų | 1 | 95.4 Ų | 95.4 | 1% | 0.006 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -64.9 | -43.8 | 176 | -68.4 | 0 | 0 | 0 | 0 | 111.6 | N150 L151 L210 L211 V213 | N150-T231 WeakPolarHBondContact CA-OG1 3.35Å; N150-T231 PolarHBondContact OD1-N 3.41Å; L151-T231 HydrophobicContact CB-CG2 3.96Å; L151-T231 HydrophobicContact CD1-CG2 4.36Å; L151-T231 HydrophobicContact CG-CG2 4.12Å; L151-T231 PolarHBondContact N-OG1 3.15Å; L151-T231 PolarHBondContact O-OG1 3.05Å; L210-T231 VanDerWaalsContact CD1-OG1 3.29Å; L210-T231 WeakPolarHBondContact CD1-OG1 3.26Å; L211-T231 WeakPolarHBondContact O-CA 3.46Å; L211-T231 WeakPolarHBondContact O-CB 3.2Å; L211-T231 WeakPolarHBondContact O-CG2 3.42Å; L211-T231 PolarHBondContact O-OG1 3.14Å; V213-T231 HydrophobicContact CG2-CG2 4.05Å; V213-T231 PolarHBondContact N-O 3.35Å |
| 232 | F | 85.9 | Confident | 66.7 | Low | 4 Ų | 4 | 99.8 Ų | 99.8 | 2% | 0.018 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -110 | 142 | -176.1 | -60.1 | -71.2 | 0 | 0 | 0 | 111.1 | L141 M144 R145 K149 L151 V213 | L141-F232 HydrophobicContact CD1-CE1 3.92Å; L141-F232 HydrophobicContact CD1-CZ 3.79Å; M144-F232 VanDerWaalsContact C-CE2 3.42Å; M144-F232 HydrophobicContact CB-CE2 3.85Å; M144-F232 HydrophobicContact CB-CZ 4.04Å; M144-F232 WeakPolarHBondContact O-CE2 3.35Å; R145-F232 HydrophobicContact CB-CD1 3.79Å; R145-F232 HydrophobicContact CB-CE1 3.67Å; R145-F232 HydrophobicContact CB-CE2 4.4Å; R145-F232 HydrophobicContact CB-CG 4.21Å; R145-F232 HydrophobicContact CB-CZ 4Å; R145-F232 HydrophobicContact CG-CD1 3.78Å; R145-F232 HydrophobicContact CG-CE1 4.12Å; R145-F232 HydrophobicContact CG-CG 4.24Å; K149-F232 WeakPolarHBondContact O-CD2 3.34Å; K149-F232 WeakPolarHBondContact O-CE2 3.3Å; L151-F232 HydrophobicContact CD1-CE2 4.3Å; L151-F232 HydrophobicContact CD1-CZ 3.89Å; L151-F232 HydrophobicContact CG-CE2 4.3Å; L151-F232 HydrophobicContact CG-CZ 4.39Å; V213-F232 HydrophobicContact CB-CD1 3.94Å; V213-F232 HydrophobicContact CB-CE1 4.01Å; V213-F232 HydrophobicContact CG1-CD1 4.37Å; V213-F232 HydrophobicContact CG1-CE1 4.33Å; V213-F232 HydrophobicContact CG2-CD1 4.13Å; V213-F232 HydrophobicContact CG2-CE1 3.74Å |
| 233 | P | 79.1 | Confident | 64.1 | Low | 65 Ų | 65 | 108.3 Ų | 108.3 | 42% | 0.422 | 57% | 0.573 | S | S | . | * | trans | -64.7 | 143.1 | 169.7 | -16.6 | 31.1 | 0 | 0 | 0 | 110 | V213 I235 | V213-P233 VanDerWaalsContact O-CD 3.3Å; V213-P233 WeakPolarHBondContact O-CD 3.47Å; P233-I235 PolarHBondContact O-N 3.31Å | ||
| 234 | K | 75.3 | Confident | 61.7 | Low | 118 Ų | 118 | 109.6 Ų | 109.6 | 51% | 0.513 | 59% | 0.587 | S | S | . | * | trans | -70.3 | 92.9 | 174.3 | -66.1 | -178.5 | -176.2 | 176.6 | 0 | 110.2 | E148 R236 | E148-K234 WeakPolarHBondContact OE1-CA 3.07Å; K234-R236 PolarHBondContact O-N 2.93Å; K234-R236 VanDerWaalsContact O-N 3.15Å | ||
| 235 | I | 64.3 | Low | 59.3 | Low | 140 Ų | 140 | 107.8 Ų | 107.8 | 72% | 0.718 | 59% | 0.587 | S | S | * | * | trans | -85.2 | 87.2 | 176.6 | -55.6 | -171.4 | 0 | 0 | 0 | 108.3 | P233 | P233-I235 PolarHBondContact O-N 3.31Š| ||
| 236 | R | 63.3 | Low | 57.3 | Low | 174 Ų | 174 | 110.4 Ų | 110.4 | 66% | 0.657 | 60% | 0.603 | S | S | * | * | trans | -83.6 | 132.6 | 171.4 | -65.4 | -171.2 | 176.3 | 165.4 | -3 | 109.8 | K234 V238 | K234-R236 PolarHBondContact O-N 2.93Å; K234-R236 VanDerWaalsContact O-N 3.15Å; R236-V238 PolarHBondContact O-N 3.23Å | ||
| 237 | R | 52.2 | Low | 55.2 | Low | 242 Ų | 242 | 112.5 Ų | 112.5 | 91% | 0.913 | 62% | 0.619 | S | S | * | * | trans | -60.4 | 126.9 | 165 | -72.9 | 180 | -179.8 | 178.3 | -0.1 | 107.8 | P239 | R237-P239 WeakPolarHBondContact O-CD 3.23Å; R237-P239 VanDerWaalsContact O-N 3.09Å | ||
| 238 | V | 40.9 | Very low | 53 | Low | 143 Ų | 143 | 115.5 Ų | 115.5 | 87% | 0.867 | 63% | 0.629 | S | S | * | * | trans | -56.6 | 112.4 | -177.8 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | R236 | R236-V238 PolarHBondContact O-N 3.23Š| ||
| 239 | P | 44.2 | Very low | 50.7 | Low | 103 Ų | 103 | 119.4 Ų | 119.4 | 67% | 0.669 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -88 | 139.9 | 167.7 | 9.4 | 10.7 | 0 | 0 | 0 | 108.4 | R237 S241 | R237-P239 WeakPolarHBondContact O-CD 3.23Å; R237-P239 VanDerWaalsContact O-N 3.09Å; P239-S241 PolarHBondContact O-N 3.16Å |
| 240 | C | 37.3 | Very low | 48.4 | Very low | 136 Ų | 136 | 123.5 Ų | 123.5 | 92% | 0.919 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 122.3 | 160.9 | -66.8 | 0 | 0 | 0 | 0 | 108.4 | ||
| 241 | S | 39.2 | Very low | 45.9 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -55 | 134.1 | -162.6 | -176.9 | 0 | 0 | 0 | 0 | 117.2 | P239 | P239-S241 PolarHBondContact O-N 3.16Š|
| 242 | A | 29.7 | Very low | 43.2 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 78% | 0.777 | 70% | 0.704 | S | S | * | * | -156.8 | 127.6 | 124.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 243 | F | 32.9 | Very low | 40.9 | Very low | 194 Ų | 194 | 135 Ų | 135 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | trans | -62.2 | 138.3 | -164.9 | -70.3 | -95.8 | 0 | 0 | 0 | 114.7 | ||||
| 244 | I | 30 | Very low | 39.4 | Very low | 163 Ų | 163 | 137 Ų | 137 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | trans | -127.8 | 116.4 | 155.1 | -58.6 | 175.9 | 0 | 0 | 0 | 107.2 | ||||
| 245 | S | 28.5 | Very low | 38.7 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | trans | -61 | 141.7 | 179.2 | -49.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 246 | P | 32.4 | Very low | 39 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | trans | -78.4 | 137.2 | 171.1 | -1.1 | 18.3 | 0 | 0 | 0 | 111.2 | ||||
| 247 | T | 29.1 | Very low | 40.2 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | trans | -38 | 139.5 | 167.3 | -40 | 0 | 0 | 0 | 0 | 113.9 | M249 | T247-M249 PolarHBondContact O-N 3.49Š| ||
| 248 | Q | 25.9 | Very low | 41.9 | Very low | 186 Ų | 186 | 114.7 Ų | 114.7 | 87% | 0.869 | 66% | 0.658 | S | S | * | * | trans | -48.5 | 118.8 | 169.7 | -83.4 | 166.2 | -42.4 | 0 | 0 | 111 | ||||
| 249 | M | 26.4 | Very low | 44.3 | Very low | 175 Ų | 175 | 114.3 Ų | 114.3 | 86% | 0.862 | 64% | 0.644 | S | S | * | * | trans | -91.9 | 121.1 | 162.6 | -63.8 | -110.1 | 85.7 | 0 | 0 | 106.6 | T247 S251 | T247-M249 PolarHBondContact O-N 3.49Å; M249-S251 PolarHBondContact O-N 2.93Å; M249-S251 VanDerWaalsContact O-N 3.08Å | ||
| 250 | I | 29.8 | Very low | 46.4 | Very low | 142 Ų | 142 | 110.9 Ų | 110.9 | 73% | 0.728 | 62% | 0.622 | S | S | * | * | trans | -70.8 | 106.2 | 177.3 | -61.4 | 173.3 | 0 | 0 | 0 | 107.1 | ||||
| 251 | S | 30.9 | Very low | 49 | Very low | 119 Ų | 119 | 104.4 Ų | 104.4 | 83% | 0.832 | 58% | 0.578 | S | S | * | * | trans | -70.9 | 118.1 | 162.2 | 168.2 | 0 | 0 | 0 | 0 | 107.9 | M249 | M249-S251 PolarHBondContact O-N 2.93Å; M249-S251 VanDerWaalsContact O-N 3.08Å | ||
| 252 | G | 30.6 | Very low | 51.5 | Low | 43 Ų | 43 | 103 Ų | 103 | 44% | 0.443 | 56% | 0.56 | S | S | . | * | trans | -147.9 | 119.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | M254 | G252-M254 PolarHBondContact O-N 2.91Å; G252-M254 VanDerWaalsContact O-N 3.1Å | ||
| 253 | E | 36.5 | Very low | 54.4 | Low | 160 Ų | 160 | 102.4 Ų | 102.4 | 75% | 0.748 | 54% | 0.541 | S | S | * | . | trans | -49.1 | 118.1 | 163.4 | -70.5 | 175.3 | 149.1 | 0 | 0 | 107.3 | H255 | E253-H255 VanDerWaalsContact C-N 3.33Å; E253-H255 PolarHBondContact O-N 3.03Å; E253-H255 IonicContact OE2-NE2 2.82Å | ||
| 254 | M | 48.6 | Very low | 57.2 | Low | 106 Ų | 106 | 94.2 Ų | 94.2 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | trans | -70.4 | 90.6 | -176.3 | -82.8 | -169.4 | 161.1 | 0 | 0 | 109.6 | L47 R52 G252 | L47-M254 HydrophobicContact CD1-CB 3.94Å; L47-M254 HydrophobicContact CD1-CG 4.34Å; L47-M254 HydrophobicContact CD1-SD 3.95Å; L47-M254 HydrophobicContact CG-SD 4.43Å; R52-M254 PolarHBondContact NH2-SD 3.49Å; R52-M254 VanDerWaalsContact NH2-SD 3.43Å; G252-M254 PolarHBondContact O-N 2.91Å; G252-M254 VanDerWaalsContact O-N 3.1Å | ||
| 255 | H | 59.1 | Low | 60.2 | Low | 83 Ų | 83 | 86.6 Ų | 86.6 | 38% | 0.384 | 47% | 0.466 | S | S | . | . | trans | -84.1 | 128.1 | 170.9 | -71.5 | -61 | 0 | 0 | 0 | 110.2 | E253 D257 T260 | E253-H255 VanDerWaalsContact C-N 3.33Å; E253-H255 PolarHBondContact O-N 3.03Å; E253-H255 IonicContact OE2-NE2 2.82Å; H255-D257 PolarHBondContact O-N 3.06Å; H255-T260 VanDerWaalsContact O-CB 3.28Å; H255-T260 WeakPolarHBondContact O-CB 3.29Å; H255-T260 WeakPolarHBondContact O-CG2 3.38Å; H255-T260 PolarHBondContact O-OG1 2.75Å; H255-T260 VanDerWaalsContact O-OG1 3.11Å | ||
| 256 | E | 72.4 | Confident | 63.2 | Low | 68 Ų | 68 | 86.3 Ų | 86.3 | 32% | 0.318 | 45% | 0.453 | S | S | . | . | trans | -77.9 | 75.3 | 170.1 | -160 | -171.8 | -153.8 | 0 | 0 | 109.2 | F48 R426 | F48-E256 HydrophobicContact CD1-CG 4.35Å; F48-E256 HydrophobicContact CE1-CG 4.01Å; E256-R426 IonicContact OE1-NH2 2.59Å; E256-R426 PolarHBondContact OE1-NH2 2.87Å; E256-R426 IonicContact OE2-NH2 2.93Å; E256-R426 PolarHBondContact OE2-NH2 2.88Å | ||
| 257 | D | 87.2 | Confident | 66 | Low | 43 Ų | 43 | 85.3 Ų | 85.3 | 23% | 0.23 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -131.6 | 164.8 | 175.1 | 69.5 | 14.2 | 0 | 0 | 0 | 112.2 | H255 K259 T260 L261 | H255-D257 PolarHBondContact O-N 3.06Å; D257-K259 VanDerWaalsContact C-N 3.25Å; D257-K259 PolarHBondContact O-N 3.5Å; D257-K259 PolarHBondContact OD1-N 3.33Å; D257-T260 PolarHBondContact O-N 2.85Å; D257-T260 WeakPolarHBondContact OD1-CB 3.34Å; D257-T260 PolarHBondContact OD1-N 2.93Å; D257-T260 PolarHBondContact OD1-OG1 3.29Å; D257-L261 PolarHBondContact O-N 3.37Å |
| 258 | F | 88.3 | Confident | 69 | Low | 13 Ų | 13 | 80 Ų | 80 | 6% | 0.057 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.7 | -32 | -177.6 | -179.2 | -112.1 | 0 | 0 | 0 | 112.5 | T260 L261 K262 E368 L371 E372 F375 | F258-T260 VanDerWaalsContact C-N 3.32Å; F258-T260 PolarHBondContact O-N 2.89Å; F258-L261 HydrophobicContact CD2-CD2 4.1Å; F258-L261 HydrophobicContact CE2-CD2 4.25Å; F258-L261 PolarHBondContact O-N 2.89Å; F258-K262 HydrophobicContact CE1-CD 4.17Å; F258-K262 WeakPolarHBondContact O-CB 3.18Å; F258-K262 PolarHBondContact O-N 3.06Å; F258-E368 HydrophobicContact CE1-CG 4.43Å; F258-E368 HydrophobicContact CZ-CG 3.79Å; F258-L371 HydrophobicContact CD2-CB 3.72Å; F258-L371 HydrophobicContact CE2-CB 3.49Å; F258-L371 VanDerWaalsContact CE2-CB 3.49Å; F258-L371 HydrophobicContact CE2-CD1 4.12Å; F258-L371 HydrophobicContact CE2-CG 4.45Å; F258-L371 HydrophobicContact CZ-CB 4.33Å; F258-E372 HydrophobicContact CD1-CB 3.73Å; F258-E372 HydrophobicContact CD1-CG 3.85Å; F258-E372 HydrophobicContact CE1-CB 3.55Å; F258-E372 HydrophobicContact CE1-CG 3.87Å; F258-E372 HydrophobicContact CG-CB 4.47Å; F258-E372 HydrophobicContact CZ-CB 4.17Å; F258-F375 HydrophobicContact CB-CB 3.92Å; F258-F375 HydrophobicContact CB-CD1 4.26Å; F258-F375 HydrophobicContact CB-CD2 3.77Å; F258-F375 HydrophobicContact CB-CE2 4.35Å; F258-F375 HydrophobicContact CB-CG 3.71Å; F258-F375 AromaticContact CD2-CD2 3.91Å; F258-F375 HydrophobicContact CD2-CD2 3.91Å; F258-F375 HydrophobicContact CD2-CE2 4.21Å; F258-F375 HydrophobicContact CG-CD2 4.31Å |
| 259 | K | 91 | Very high | 72.1 | Confident | 134 Ų | 134 | 72.3 Ų | 72.3 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.4 | -43.6 | 178.1 | -179.3 | 178.7 | 170.6 | -174.6 | 0 | 110.5 | D257 K262 E263 | D257-K259 VanDerWaalsContact C-N 3.25Å; D257-K259 PolarHBondContact O-N 3.5Å; D257-K259 PolarHBondContact OD1-N 3.33Å; K259-K262 PolarHBondContact O-N 2.93Å; K259-E263 WeakPolarHBondContact CE-OE1 3.44Å; K259-E263 IonicContact NZ-OE1 2.87Å; K259-E263 WeakPolarHBondContact O-CB 3.25Å; K259-E263 WeakPolarHBondContact O-CG 3.24Å; K259-E263 PolarHBondContact O-N 3.46Å |
| 260 | T | 89 | Confident | 75.2 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 177.9 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | F48 H255 D257 F258 E263 E264 | F48-T260 HydrophobicContact CE2-CG2 4.43Å; F48-T260 HydrophobicContact CZ-CG2 4.1Å; H255-T260 VanDerWaalsContact O-CB 3.28Å; H255-T260 WeakPolarHBondContact O-CB 3.29Å; H255-T260 WeakPolarHBondContact O-CG2 3.38Å; H255-T260 PolarHBondContact O-OG1 2.75Å; H255-T260 VanDerWaalsContact O-OG1 3.11Å; D257-T260 PolarHBondContact O-N 2.85Å; D257-T260 WeakPolarHBondContact OD1-CB 3.34Å; D257-T260 PolarHBondContact OD1-N 2.93Å; D257-T260 PolarHBondContact OD1-OG1 3.29Å; F258-T260 VanDerWaalsContact C-N 3.32Å; F258-T260 PolarHBondContact O-N 2.89Å; T260-E263 PolarHBondContact O-N 2.93Å; T260-E264 VanDerWaalsContact O-CB 3.28Å; T260-E264 WeakPolarHBondContact O-CB 3.23Å; T260-E264 PolarHBondContact O-N 3.13Å |
| 261 | L | 90.9 | Very high | 78.1 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.4 | -48.8 | 172.2 | 172.2 | 63.4 | 0 | 0 | 0 | 111.4 | F48 W49 D257 F258 E263 E264 V265 L371 F375 C430 Y433 | F48-L261 HydrophobicContact CB-CD1 4.25Å; F48-L261 HydrophobicContact CD1-CB 4.35Å; F48-L261 HydrophobicContact CD2-CB 3.94Å; F48-L261 HydrophobicContact CD2-CD1 3.5Å; F48-L261 HydrophobicContact CD2-CG 4.29Å; F48-L261 HydrophobicContact CE1-CB 4.03Å; F48-L261 HydrophobicContact CE2-CB 3.64Å; F48-L261 HydrophobicContact CE2-CD1 4.03Å; F48-L261 HydrophobicContact CE2-CG 4.45Å; F48-L261 HydrophobicContact CG-CB 4.31Å; F48-L261 HydrophobicContact CG-CD1 3.89Å; F48-L261 HydrophobicContact CZ-CB 3.68Å; W49-L261 HydrophobicContact CH2-CD1 4.33Å; W49-L261 HydrophobicContact CZ3-CD1 3.72Å; D257-L261 PolarHBondContact O-N 3.37Å; F258-L261 HydrophobicContact CD2-CD2 4.1Å; F258-L261 HydrophobicContact CE2-CD2 4.25Å; F258-L261 PolarHBondContact O-N 2.89Å; L261-E263 PolarHBondContact O-N 3.28Å; L261-E264 PolarHBondContact O-N 3.34Å; L261-V265 HydrophobicContact CD1-CG2 3.96Å; L261-V265 WeakPolarHBondContact O-CG2 3.43Å; L261-V265 PolarHBondContact O-N 2.74Å; L261-L371 HydrophobicContact CD2-CD1 4.26Å; L261-F375 HydrophobicContact CD2-CE2 3.97Å; L261-C430 HydrophobicContact CD1-CB 4.45Å; L261-C430 HydrophobicContact CD2-CB 4.01Å; L261-Y433 HydrophobicContact CD2-CD1 4.13Å; L261-Y433 HydrophobicContact CG-CD1 4.18Å; L261-Y433 HydrophobicContact CG-CE1 4.37Å |
| 262 | K | 92 | Very high | 80.9 | Confident | 68 Ų | 68 | 57.8 Ų | 57.8 | 30% | 0.296 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | -178.8 | -173.9 | 169.5 | -174.2 | 156.4 | 0 | 111.7 | F258 K259 E264 Q266 E368 | F258-K262 HydrophobicContact CE1-CD 4.17Å; F258-K262 WeakPolarHBondContact O-CB 3.18Å; F258-K262 PolarHBondContact O-N 3.06Å; K259-K262 PolarHBondContact O-N 2.93Å; K262-E264 VanDerWaalsContact C-N 3.35Å; K262-Q266 WeakPolarHBondContact O-CB 3.48Å; K262-Q266 PolarHBondContact O-N 3.21Å; K262-E368 WeakPolarHBondContact CE-OE1 3.32Å; K262-E368 IonicContact NZ-OE1 3.96Å; K262-E368 PolarHBondContact NZ-OE1 2.89Å |
| 263 | E | 91.1 | Very high | 83.8 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 38% | 0.379 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 176.4 | -71.7 | 179.2 | -173.8 | 0 | 0 | 112.1 | K259 T260 L261 R267 | K259-E263 WeakPolarHBondContact CE-OE1 3.44Å; K259-E263 IonicContact NZ-OE1 2.87Å; K259-E263 WeakPolarHBondContact O-CB 3.25Å; K259-E263 WeakPolarHBondContact O-CG 3.24Å; K259-E263 PolarHBondContact O-N 3.46Å; T260-E263 PolarHBondContact O-N 2.93Å; L261-E263 PolarHBondContact O-N 3.28Å; E263-R267 WeakPolarHBondContact O-CG 3.45Å; E263-R267 PolarHBondContact O-N 3.11Å; E263-R267 PolarHBondContact O-NH1 2.64Å |
| 264 | E | 91.9 | Very high | 86.3 | Confident | 22 Ų | 22 | 59 Ų | 59 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -56.1 | 175.2 | -170.4 | 179.2 | 103.2 | 0 | 0 | 111.5 | T46 T260 L261 K262 Q266 R267 E268 Y335 | T46-E264 WeakPolarHBondContact CB-OE1 3.48Å; T46-E264 PolarHBondContact OG1-OE1 3.46Å; T260-E264 VanDerWaalsContact O-CB 3.28Å; T260-E264 WeakPolarHBondContact O-CB 3.23Å; T260-E264 PolarHBondContact O-N 3.13Å; L261-E264 PolarHBondContact O-N 3.34Å; K262-E264 VanDerWaalsContact C-N 3.35Å; E264-Q266 VanDerWaalsContact C-N 3.26Å; E264-Q266 PolarHBondContact O-N 3.17Å; E264-R267 PolarHBondContact O-N 3.08Å; E264-E268 WeakPolarHBondContact O-CG 3.35Å; E264-E268 PolarHBondContact O-N 2.82Å; E264-Y335 HydrophobicContact CG-CE2 4.11Å; E264-Y335 WeakPolarHBondContact CG-OH 3.25Å; E264-Y335 WeakPolarHBondContact OE1-CE2 3.45Å; E264-Y335 PolarHBondContact OE1-OH 2.63Å |
| 265 | V | 92.8 | Very high | 88.1 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.6 | -41.3 | 177.7 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | L261 R267 E268 T269 Y335 F336 Y433 A434 | L261-V265 HydrophobicContact CD1-CG2 3.96Å; L261-V265 WeakPolarHBondContact O-CG2 3.43Å; L261-V265 PolarHBondContact O-N 2.74Å; V265-R267 PolarHBondContact O-N 3.27Å; V265-E268 PolarHBondContact O-N 3.4Å; V265-T269 HydrophobicContact CG1-CG2 4.21Å; V265-T269 WeakPolarHBondContact O-CG2 3.5Å; V265-T269 PolarHBondContact O-N 3.07Å; V265-T269 PolarHBondContact O-OG1 3.41Å; V265-Y335 HydrophobicContact CG2-CE1 4.36Å; V265-F336 HydrophobicContact CG1-CE1 4.3Å; V265-Y433 HydrophobicContact CB-CE1 4.02Å; V265-Y433 HydrophobicContact CG1-CE1 4.11Å; V265-Y433 HydrophobicContact CG2-CD1 4.03Å; V265-Y433 HydrophobicContact CG2-CE1 3.9Å; V265-A434 HydrophobicContact CG2-CB 3.86Å |
| 266 | Q | 92 | Very high | 89.5 | Confident | 97 Ų | 97 | 53.7 Ų | 53.7 | 45% | 0.453 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 178.7 | -177.9 | 173.7 | -12.7 | 0 | 0 | 112.3 | K262 E264 E268 T269 Q270 | K262-Q266 WeakPolarHBondContact O-CB 3.48Å; K262-Q266 PolarHBondContact O-N 3.21Å; E264-Q266 VanDerWaalsContact C-N 3.26Å; E264-Q266 PolarHBondContact O-N 3.17Å; Q266-E268 VanDerWaalsContact C-N 3.32Å; Q266-E268 PolarHBondContact O-N 3.33Å; Q266-T269 WeakPolarHBondContact CA-OG1 3.39Å; Q266-T269 PolarHBondContact O-N 3.43Å; Q266-T269 PolarHBondContact O-OG1 3.46Å; Q266-Q270 VanDerWaalsContact O-CG 3.3Å; Q266-Q270 WeakPolarHBondContact O-CG 3.36Å; Q266-Q270 PolarHBondContact O-N 2.83Å |
| 267 | R | 91.3 | Very high | 90.2 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 34% | 0.336 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 177.2 | -73.9 | -175.8 | -57.2 | -95.9 | 5.7 | 111.8 | E263 E264 V265 Q270 E271 | E263-R267 WeakPolarHBondContact O-CG 3.45Å; E263-R267 PolarHBondContact O-N 3.11Å; E263-R267 PolarHBondContact O-NH1 2.64Å; E264-R267 PolarHBondContact O-N 3.08Å; V265-R267 PolarHBondContact O-N 3.27Å; R267-Q270 WeakPolarHBondContact O-CB 3.34Å; R267-Q270 PolarHBondContact O-N 3.31Å; R267-E271 PolarHBondContact O-N 3.01Å |
| 268 | E | 91.9 | Very high | 90.1 | Very high | 18 Ų | 18 | 56.1 Ų | 56.1 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.1 | -39.1 | 179.5 | -54.2 | -52.8 | 148.5 | 0 | 0 | 111.8 | K44 E264 V265 Q266 Q270 E271 V272 A332 Y335 F336 | K44-E268 WeakPolarHBondContact CE-OE2 3.45Å; K44-E268 IonicContact NZ-OE1 3.39Å; K44-E268 PolarHBondContact NZ-OE1 2.79Å; K44-E268 IonicContact NZ-OE2 2.61Å; K44-E268 PolarHBondContact NZ-OE2 3.14Å; E264-E268 WeakPolarHBondContact O-CG 3.35Å; E264-E268 PolarHBondContact O-N 2.82Å; V265-E268 PolarHBondContact O-N 3.4Å; Q266-E268 VanDerWaalsContact C-N 3.32Å; Q266-E268 PolarHBondContact O-N 3.33Å; E268-Q270 VanDerWaalsContact C-N 3.29Å; E268-Q270 PolarHBondContact O-N 2.86Å; E268-E271 PolarHBondContact O-N 2.98Å; E268-V272 PolarHBondContact O-N 3.17Å; E268-A332 HydrophobicContact CB-CB 4.24Å; E268-A332 WeakPolarHBondContact OE2-CA 3.36Å; E268-A332 WeakPolarHBondContact OE2-CB 3.45Å; E268-Y335 HydrophobicContact CB-CD1 3.9Å; E268-Y335 HydrophobicContact CB-CE1 4.27Å; E268-Y335 HydrophobicContact CB-CG 4.46Å; E268-Y335 HydrophobicContact CG-CD1 3.63Å; E268-Y335 HydrophobicContact CG-CD2 4.31Å; E268-Y335 HydrophobicContact CG-CE1 3.91Å; E268-Y335 HydrophobicContact CG-CG 3.82Å; E268-F336 HydrophobicContact CB-CE2 3.77Å; E268-F336 HydrophobicContact CB-CZ 3.74Å |
| 269 | T | 90.3 | Very high | 90 | Very high | 24 Ų | 24 | 55.6 Ų | 55.6 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -36.2 | 173.2 | 57.8 | 0 | 0 | 0 | 0 | 112.3 | V265 Q266 E271 V272 E273 F336 L441 | V265-T269 HydrophobicContact CG1-CG2 4.21Å; V265-T269 WeakPolarHBondContact O-CG2 3.5Å; V265-T269 PolarHBondContact O-N 3.07Å; V265-T269 PolarHBondContact O-OG1 3.41Å; Q266-T269 WeakPolarHBondContact CA-OG1 3.39Å; Q266-T269 PolarHBondContact O-N 3.43Å; Q266-T269 PolarHBondContact O-OG1 3.46Å; T269-E271 VanDerWaalsContact C-N 3.34Å; T269-E271 PolarHBondContact O-N 3.13Å; T269-V272 PolarHBondContact O-N 3.4Å; T269-E273 WeakPolarHBondContact O-CB 3.46Å; T269-E273 PolarHBondContact O-N 3.44Å; T269-F336 HydrophobicContact CG2-CE1 4.39Å; T269-F336 HydrophobicContact CG2-CE2 4.45Å; T269-F336 HydrophobicContact CG2-CZ 3.64Å; T269-L441 HydrophobicContact CG2-CD2 4.49Å; T269-L441 VanDerWaalsContact O-CD2 3.29Å; T269-L441 WeakPolarHBondContact O-CD2 3.05Å |
| 270 | Q | 92.3 | Very high | 89.9 | Confident | 88 Ų | 88 | 51.2 Ų | 51.2 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 176.5 | -75.1 | 172.2 | -9.7 | 0 | 0 | 112.1 | Q266 R267 E268 E273 K274 | Q266-Q270 VanDerWaalsContact O-CG 3.3Å; Q266-Q270 WeakPolarHBondContact O-CG 3.36Å; Q266-Q270 PolarHBondContact O-N 2.83Å; R267-Q270 WeakPolarHBondContact O-CB 3.34Å; R267-Q270 PolarHBondContact O-N 3.31Å; E268-Q270 VanDerWaalsContact C-N 3.29Å; E268-Q270 PolarHBondContact O-N 2.86Å; Q270-E273 PolarHBondContact O-N 2.97Å; Q270-K274 WeakPolarHBondContact O-CG 3.31Å; Q270-K274 PolarHBondContact O-N 3.48Å |
| 271 | E | 90.3 | Very high | 89.9 | Confident | 42 Ų | 42 | 52.8 Ų | 52.8 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 174.8 | -67.1 | -51.7 | 135.5 | 0 | 0 | 112.1 | R267 E268 T269 K274 D328 A332 | R267-E271 PolarHBondContact O-N 3.01Å; E268-E271 PolarHBondContact O-N 2.98Å; T269-E271 VanDerWaalsContact C-N 3.34Å; T269-E271 PolarHBondContact O-N 3.13Å; E271-K274 IonicContact OE1-NZ 3.76Å; E271-K274 PolarHBondContact OE1-NZ 3.47Å; E271-K274 WeakPolarHBondContact OE2-CE 3.36Å; E271-K274 IonicContact OE2-NZ 2.64Å; E271-K274 PolarHBondContact OE2-NZ 2.88Å; E271-D328 HydrophobicContact CG-CB 4.45Å; E271-A332 HydrophobicContact CB-CB 3.78Å |
| 272 | V | 89.8 | Confident | 89.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.5 | -32.6 | 175.5 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | E268 T269 K274 L275 L283 A332 F336 L438 L441 L442 | E268-V272 PolarHBondContact O-N 3.17Å; T269-V272 PolarHBondContact O-N 3.4Å; V272-K274 VanDerWaalsContact C-N 3.26Å; V272-K274 PolarHBondContact O-N 3.25Å; V272-L275 HydrophobicContact CG1-CD1 4.28Å; V272-L275 VanDerWaalsContact O-CB 3.28Å; V272-L275 WeakPolarHBondContact O-CB 3.48Å; V272-L275 VanDerWaalsContact O-CG 3.29Å; V272-L275 WeakPolarHBondContact O-CG 3.28Å; V272-L275 PolarHBondContact O-N 3.1Å; V272-L275 VanDerWaalsContact O-N 3.13Å; V272-L283 HydrophobicContact CG1-CD2 4.32Å; V272-A332 HydrophobicContact CG2-CB 3.8Å; V272-F336 HydrophobicContact CG2-CD2 4.31Å; V272-F336 HydrophobicContact CG2-CE2 4.01Å; V272-L438 HydrophobicContact CB-CD1 4.46Å; V272-L438 HydrophobicContact CG1-CD1 3.91Å; V272-L438 HydrophobicContact CG2-CD1 4.24Å; V272-L441 HydrophobicContact CB-CD2 3.91Å; V272-L441 HydrophobicContact CG1-CD2 3.9Å; V272-L442 HydrophobicContact CG1-CD2 3.83Å |
| 273 | E | 91.3 | Very high | 89.6 | Confident | 88 Ų | 88 | 50.8 Ų | 50.8 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67 | -26.9 | -179.8 | -171.9 | 165.9 | -147 | 0 | 0 | 112.9 | T269 Q270 L275 R280 L441 | T269-E273 WeakPolarHBondContact O-CB 3.46Å; T269-E273 PolarHBondContact O-N 3.44Å; Q270-E273 PolarHBondContact O-N 2.97Å; E273-L275 PolarHBondContact O-N 2.96Å; E273-L275 VanDerWaalsContact O-N 3.17Å; E273-R280 PolarHBondContact O-NH2 2.89Å; E273-R280 VanDerWaalsContact O-NH2 3.16Å; E273-L441 HydrophobicContact CB-CD1 4.07Å; E273-L441 HydrophobicContact CB-CD2 4.21Å; E273-L441 HydrophobicContact CG-CD1 4.06Å |
| 274 | K | 89.4 | Confident | 89.6 | Confident | 140 Ų | 140 | 48.3 Ų | 48.3 | 61% | 0.609 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -17.9 | 173.2 | -67.8 | 170.9 | -166.6 | 174.4 | 0 | 113.3 | Q270 E271 V272 | Q270-K274 WeakPolarHBondContact O-CG 3.31Å; Q270-K274 PolarHBondContact O-N 3.48Å; E271-K274 IonicContact OE1-NZ 3.76Å; E271-K274 PolarHBondContact OE1-NZ 3.47Å; E271-K274 WeakPolarHBondContact OE2-CE 3.36Å; E271-K274 IonicContact OE2-NZ 2.64Å; E271-K274 PolarHBondContact OE2-NZ 2.88Å; V272-K274 VanDerWaalsContact C-N 3.26Å; V272-K274 PolarHBondContact O-N 3.25Å |
| 275 | L | 86.3 | Confident | 89.5 | Confident | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -65.9 | 147.3 | 173.8 | -59.8 | 179.3 | 0 | 0 | 0 | 110.8 | V272 E273 R280 L283 V323 L325 A329 | V272-L275 HydrophobicContact CG1-CD1 4.28Å; V272-L275 VanDerWaalsContact O-CB 3.28Å; V272-L275 WeakPolarHBondContact O-CB 3.48Å; V272-L275 VanDerWaalsContact O-CG 3.29Å; V272-L275 WeakPolarHBondContact O-CG 3.28Å; V272-L275 PolarHBondContact O-N 3.1Å; V272-L275 VanDerWaalsContact O-N 3.13Å; E273-L275 PolarHBondContact O-N 2.96Å; E273-L275 VanDerWaalsContact O-N 3.17Å; L275-R280 HydrophobicContact CB-CG 3.87Å; L275-R280 PolarHBondContact O-NE 3.05Å; L275-R280 PolarHBondContact O-NH2 3.27Å; L275-R280 VanDerWaalsContact O-NH2 3.08Å; L275-L283 HydrophobicContact CD1-CD2 4.08Å; L275-V323 HydrophobicContact CD2-CG1 4.33Å; L275-L325 HydrophobicContact CD1-CD2 4.03Å; L275-L325 HydrophobicContact CD2-CD2 3.77Å; L275-A329 HydrophobicContact CD2-CB 4.22Å |
| 276 | S | 87.3 | Confident | 89.3 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 44% | 0.441 | 28% | 0.284 | S | S | . | . | trans | -60.6 | 154.7 | 174.7 | 72.5 | 0 | 0 | 0 | 0 | 110.9 | V278 G279 R280 | S276-V278 PolarHBondContact O-N 3.39Å; S276-G279 WeakPolarHBondContact O-CA 3.18Å; S276-G279 PolarHBondContact O-N 3.03Å; S276-G279 PolarHBondContact OG-N 3.15Å; S276-R280 PolarHBondContact O-N 3.47Å | ||
| 277 | P | 87.4 | Confident | 89.1 | Confident | 61 Ų | 61 | 49 Ų | 49 | 40% | 0.396 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.8 | -36.3 | 176.8 | -27 | 35.3 | 0 | 0 | 0 | 113.2 | S281 | P277-S281 WeakPolarHBondContact O-CB 3.35Å; P277-S281 PolarHBondContact O-N 3.35Å; P277-S281 PolarHBondContact O-OG 3.04Å |
| 278 | V | 86.7 | Confident | 89 | Confident | 101 Ų | 101 | 46.6 Ų | 46.6 | 61% | 0.612 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.4 | -45.3 | 174.1 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | S276 R280 S281 S282 | S276-V278 PolarHBondContact O-N 3.39Å; V278-R280 PolarHBondContact O-N 2.79Å; V278-S281 WeakPolarHBondContact O-CB 3.31Å; V278-S281 PolarHBondContact O-N 2.99Å; V278-S281 VanDerWaalsContact O-N 3.15Å; V278-S282 PolarHBondContact O-N 3.18Å |
| 279 | G | 85.8 | Confident | 88.8 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67 | -36.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S276 S281 S282 L283 | S276-G279 WeakPolarHBondContact O-CA 3.18Å; S276-G279 PolarHBondContact O-N 3.03Å; S276-G279 PolarHBondContact OG-N 3.15Å; G279-S281 VanDerWaalsContact C-N 3.34Å; G279-S282 PolarHBondContact O-N 2.85Å; G279-L283 WeakPolarHBondContact O-CB 3.41Å; G279-L283 PolarHBondContact O-N 3.43Å |
| 280 | R | 88.6 | Confident | 88.7 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 16% | 0.158 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 170.2 | -72.4 | -178.2 | -105.3 | 171.1 | -13.1 | 111.9 | E273 L275 S276 V278 L283 L284 L442 | E273-R280 PolarHBondContact O-NH2 2.89Å; E273-R280 VanDerWaalsContact O-NH2 3.16Å; L275-R280 HydrophobicContact CB-CG 3.87Å; L275-R280 PolarHBondContact O-NE 3.05Å; L275-R280 PolarHBondContact O-NH2 3.27Å; L275-R280 VanDerWaalsContact O-NH2 3.08Å; S276-R280 PolarHBondContact O-N 3.47Å; V278-R280 PolarHBondContact O-N 2.79Å; R280-L283 PolarHBondContact O-N 3.37Å; R280-L284 WeakPolarHBondContact O-CB 3.44Å; R280-L284 PolarHBondContact O-N 3.05Å; R280-L442 HydrophobicContact CB-CD2 3.81Å; R280-L442 HydrophobicContact CG-CD2 3.91Å |
| 281 | S | 88.1 | Confident | 88.5 | Confident | 65 Ų | 65 | 46.4 Ų | 46.4 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 177 | -55.3 | 0 | 0 | 0 | 0 | 112 | P277 V278 G279 L284 T285 | P277-S281 WeakPolarHBondContact O-CB 3.35Å; P277-S281 PolarHBondContact O-N 3.35Å; P277-S281 PolarHBondContact O-OG 3.04Å; V278-S281 WeakPolarHBondContact O-CB 3.31Å; V278-S281 PolarHBondContact O-N 2.99Å; V278-S281 VanDerWaalsContact O-N 3.15Å; G279-S281 VanDerWaalsContact C-N 3.34Å; S281-L284 PolarHBondContact O-N 2.89Å; S281-T285 PolarHBondContact O-N 2.9Å; S281-T285 PolarHBondContact O-OG1 3.43Å |
| 282 | S | 89.1 | Confident | 88.2 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 175.4 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | V278 G279 L284 T285 S286 P320 D322 | V278-S282 PolarHBondContact O-N 3.18Å; G279-S282 PolarHBondContact O-N 2.85Å; S282-L284 PolarHBondContact O-N 2.77Å; S282-T285 WeakPolarHBondContact O-CB 3.38Å; S282-T285 PolarHBondContact O-N 3.02Å; S282-T285 VanDerWaalsContact O-N 3.16Å; S282-S286 PolarHBondContact O-N 2.78Å; S282-S286 PolarHBondContact O-OG 2.89Å; S282-P320 VanDerWaalsContact OG-CB 3.24Å; S282-P320 WeakPolarHBondContact OG-CB 3.19Å; S282-D322 WeakPolarHBondContact CB-OD2 3.48Å; S282-D322 PolarHBondContact OG-OD1 3.44Å; S282-D322 PolarHBondContact OG-OD2 2.91Å |
| 283 | L | 88.6 | Confident | 88.1 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 174.4 | -179.4 | 61 | 0 | 0 | 0 | 112.4 | V272 L275 G279 R280 T285 S286 L287 L319 P320 I333 L442 | V272-L283 HydrophobicContact CG1-CD2 4.32Å; L275-L283 HydrophobicContact CD1-CD2 4.08Å; G279-L283 WeakPolarHBondContact O-CB 3.41Å; G279-L283 PolarHBondContact O-N 3.43Å; R280-L283 PolarHBondContact O-N 3.37Å; L283-T285 VanDerWaalsContact C-N 3.28Å; L283-T285 PolarHBondContact O-N 2.84Å; L283-S286 PolarHBondContact O-N 3.44Å; L283-L287 HydrophobicContact CD1-CD1 4.28Å; L283-L287 HydrophobicContact CD1-CG 4.28Å; L283-L287 HydrophobicContact CG-CD1 4.12Å; L283-L287 WeakPolarHBondContact O-CB 3.43Å; L283-L287 WeakPolarHBondContact O-CG 3.46Å; L283-L287 PolarHBondContact O-N 3.04Å; L283-L319 HydrophobicContact CD1-CD2 4.41Å; L283-P320 HydrophobicContact CB-CG 4.37Å; L283-I333 HydrophobicContact CD1-CD1 4.13Å; L283-I333 HydrophobicContact CD2-CD1 3.99Å; L283-I333 HydrophobicContact CD2-CG1 4.1Å; L283-L442 HydrophobicContact CD2-CD1 4.23Å; L283-L442 HydrophobicContact CD2-CD2 4.14Å; L283-L442 HydrophobicContact CG-CD1 4.21Å |
| 284 | L | 90.9 | Very high | 87.9 | Confident | 28 Ų | 28 | 48 Ų | 48 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 176.2 | -176.1 | 57.8 | 0 | 0 | 0 | 111.7 | R280 S281 S282 L287 S288 L355 L439 L442 | R280-L284 WeakPolarHBondContact O-CB 3.44Å; R280-L284 PolarHBondContact O-N 3.05Å; S281-L284 PolarHBondContact O-N 2.89Å; S282-L284 PolarHBondContact O-N 2.77Å; L284-L287 PolarHBondContact O-N 2.88Å; L284-S288 VanDerWaalsContact O-CB 3.28Å; L284-S288 WeakPolarHBondContact O-CB 3.24Å; L284-S288 PolarHBondContact O-N 3.32Å; L284-S288 PolarHBondContact O-OG 3.25Å; L284-L355 HydrophobicContact CD1-CD1 4.24Å; L284-L355 HydrophobicContact CD1-CD2 4.09Å; L284-L439 HydrophobicContact CD1-CD2 4.21Å; L284-L442 HydrophobicContact CB-CB 4.06Å; L284-L442 HydrophobicContact CB-CD1 4.38Å; L284-L442 HydrophobicContact CD1-CB 3.93Å; L284-L442 HydrophobicContact CD1-CD1 4.32Å; L284-L442 HydrophobicContact CD2-CB 4.34Å; L284-L442 HydrophobicContact CG-CB 4.32Å |
| 285 | T | 88.9 | Confident | 87.8 | Confident | 101 Ų | 101 | 49.1 Ų | 49.1 | 62% | 0.62 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.5 | -47.8 | 179 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | S281 S282 L283 S288 H289 | S281-T285 PolarHBondContact O-N 2.9Å; S281-T285 PolarHBondContact O-OG1 3.43Å; S282-T285 WeakPolarHBondContact O-CB 3.38Å; S282-T285 PolarHBondContact O-N 3.02Å; S282-T285 VanDerWaalsContact O-N 3.16Å; L283-T285 VanDerWaalsContact C-N 3.28Å; L283-T285 PolarHBondContact O-N 2.84Å; T285-S288 PolarHBondContact O-N 2.93Å; T285-H289 PolarHBondContact O-N 3.49Å; T285-H289 VanDerWaalsContact O-N 3.14Å |
| 286 | S | 88.6 | Confident | 88 | Confident | 29 Ų | 29 | 52.2 Ų | 52.2 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 174.4 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | S282 L283 H289 L290 A318 | S282-S286 PolarHBondContact O-N 2.78Å; S282-S286 PolarHBondContact O-OG 2.89Å; L283-S286 PolarHBondContact O-N 3.44Å; S286-H289 PolarHBondContact O-N 2.75Å; S286-L290 WeakPolarHBondContact O-CG 3.26Å; S286-L290 PolarHBondContact O-N 2.62Å; S286-A318 WeakPolarHBondContact CB-O 3.34Å; S286-A318 PolarHBondContact OG-O 3.26Å |
| 287 | L | 89.1 | Confident | 88.1 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | 178.2 | -77.4 | 175.4 | 0 | 0 | 0 | 111.6 | L283 L284 H289 L290 L291 L337 L438 L442 | L283-L287 HydrophobicContact CD1-CD1 4.28Å; L283-L287 HydrophobicContact CD1-CG 4.28Å; L283-L287 HydrophobicContact CG-CD1 4.12Å; L283-L287 WeakPolarHBondContact O-CB 3.43Å; L283-L287 WeakPolarHBondContact O-CG 3.46Å; L283-L287 PolarHBondContact O-N 3.04Å; L284-L287 PolarHBondContact O-N 2.88Å; L287-H289 PolarHBondContact O-N 3.16Å; L287-L290 CarbonylContact O-C 3.56Å; L287-L290 WeakPolarHBondContact O-CA 3.44Å; L287-L290 PolarHBondContact O-N 3.33Å; L287-L291 VanDerWaalsContact O-CG 3.3Å; L287-L291 WeakPolarHBondContact O-CG 3.36Å; L287-L291 PolarHBondContact O-N 2.67Å; L287-L337 HydrophobicContact CD2-CD2 4.01Å; L287-L438 HydrophobicContact CD1-CD2 3.84Å; L287-L442 HydrophobicContact CD1-CD1 3.75Å |
| 288 | S | 87.9 | Confident | 88.1 | Confident | 39 Ų | 39 | 50.5 Ų | 50.5 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.2 | -37 | 179.1 | -59.3 | 0 | 0 | 0 | 0 | 112 | L284 T285 | L284-S288 VanDerWaalsContact O-CB 3.28Å; L284-S288 WeakPolarHBondContact O-CB 3.24Å; L284-S288 PolarHBondContact O-N 3.32Å; L284-S288 PolarHBondContact O-OG 3.25Å; T285-S288 PolarHBondContact O-N 2.93Å |
| 289 | H | 87.9 | Confident | 88.2 | Confident | 118 Ų | 118 | 49 Ų | 49 | 55% | 0.546 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.1 | -35.8 | 173.6 | -180 | -90.7 | 0 | 0 | 0 | 112.6 | T285 S286 L287 K293 | T285-H289 PolarHBondContact O-N 3.49Å; T285-H289 VanDerWaalsContact O-N 3.14Å; S286-H289 PolarHBondContact O-N 2.75Å; L287-H289 PolarHBondContact O-N 3.16Å; H289-K293 PolarHBondContact CE1-NZ 3.09Å |
| 290 | L | 88.9 | Confident | 88.4 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -81.7 | -30.1 | -179 | -66.4 | 171.1 | 0 | 0 | 0 | 114.1 | S286 L287 G292 K293 E296 L297 L300 A318 | S286-L290 WeakPolarHBondContact O-CG 3.26Å; S286-L290 PolarHBondContact O-N 2.62Å; L287-L290 CarbonylContact O-C 3.56Å; L287-L290 WeakPolarHBondContact O-CA 3.44Å; L287-L290 PolarHBondContact O-N 3.33Å; L290-G292 PolarHBondContact O-N 3.03Å; L290-K293 CarbonylContact O-C 3.54Å; L290-K293 VanDerWaalsContact O-C 3.3Å; L290-K293 WeakPolarHBondContact O-CA 3.16Å; L290-K293 PolarHBondContact O-N 2.99Å; L290-E296 HydrophobicContact CD2-CB 3.79Å; L290-L297 HydrophobicContact CB-CD1 3.94Å; L290-L297 HydrophobicContact CD1-CD1 4.43Å; L290-L300 HydrophobicContact CD1-CD2 3.48Å; L290-L300 VanDerWaalsContact CD1-CD2 3.48Å; L290-A318 HydrophobicContact CD1-CB 4.07Å |
| 291 | L | 87.9 | Confident | 88.5 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -30.8 | 178.5 | -72.8 | 175 | 0 | 0 | 0 | 111.6 | L287 K293 L340 L348 V352 L355 L439 | L287-L291 VanDerWaalsContact O-CG 3.3Å; L287-L291 WeakPolarHBondContact O-CG 3.36Å; L287-L291 PolarHBondContact O-N 2.67Å; L291-K293 PolarHBondContact O-N 3.5Å; L291-L340 HydrophobicContact CD2-CD1 4.07Å; L291-L340 HydrophobicContact CD2-CD2 4.01Å; L291-L348 HydrophobicContact CD2-CB 4.49Å; L291-L348 HydrophobicContact CD2-CD2 3.63Å; L291-L348 WeakPolarHBondContact O-CB 3.39Å; L291-V352 HydrophobicContact CB-CG2 3.5Å; L291-V352 VanDerWaalsContact CB-CG2 3.5Å; L291-V352 HydrophobicContact CD1-CG2 3.94Å; L291-V352 HydrophobicContact CG-CG2 4.38Å; L291-L355 HydrophobicContact CD1-CD1 4.28Å; L291-L439 HydrophobicContact CD1-CD1 4.06Å; L291-L439 HydrophobicContact CD1-CD2 4.23Å |
| 292 | G | 82.8 | Confident | 88.4 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 42% | 0.423 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -11.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L290 | L290-G292 PolarHBondContact O-N 3.03Š|
| 293 | K | 89 | Confident | 88.4 | Confident | 84 Ų | 84 | 55.4 Ų | 55.4 | 37% | 0.365 | 28% | 0.282 | S | S | . | . | trans | -139.3 | 81.7 | -168.7 | -58.3 | -176.3 | -173 | 175.4 | 0 | 112 | H289 L290 L291 K295 E296 L297 | H289-K293 PolarHBondContact CE1-NZ 3.09Å; L290-K293 CarbonylContact O-C 3.54Å; L290-K293 VanDerWaalsContact O-C 3.3Å; L290-K293 WeakPolarHBondContact O-CA 3.16Å; L290-K293 PolarHBondContact O-N 2.99Å; L291-K293 PolarHBondContact O-N 3.5Å; K293-K295 VanDerWaalsContact C-N 3.27Å; K293-K295 PolarHBondContact O-N 2.75Å; K293-K295 VanDerWaalsContact O-N 3.1Å; K293-E296 HydrophobicContact CB-CB 4.19Å; K293-E296 HydrophobicContact CB-CG 4.23Å; K293-E296 HydrophobicContact CD-CG 4.16Å; K293-E296 WeakPolarHBondContact CD-OE1 3.46Å; K293-E296 VanDerWaalsContact CD-OE2 3.27Å; K293-E296 WeakPolarHBondContact CD-OE2 3.42Å; K293-E296 IonicContact NZ-OE1 3.69Å; K293-E296 PolarHBondContact NZ-OE1 3.4Å; K293-E296 IonicContact NZ-OE2 2.88Å; K293-E296 PolarHBondContact NZ-OE2 3.48Å; K293-E296 PolarHBondContact O-N 2.71Å; K293-L297 PolarHBondContact O-N 3Å; K293-L297 VanDerWaalsContact O-N 3.17Å | ||
| 294 | K | 87.3 | Confident | 88.3 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -52 | -38.4 | -176.1 | -176.6 | 167.3 | -178.2 | 159.1 | 0 | 114.6 | L297 Q298 T341 L343 E345 L348 | K294-L297 WeakPolarHBondContact O-CB 3.33Å; K294-L297 PolarHBondContact O-N 3.25Å; K294-Q298 HydrophobicContact CG-CG 4.48Å; K294-Q298 WeakPolarHBondContact O-CG 3.08Å; K294-Q298 PolarHBondContact O-N 3.15Å; K294-T341 VanDerWaalsContact CE-O 3.25Å; K294-T341 WeakPolarHBondContact CE-O 3.49Å; K294-T341 PolarHBondContact NZ-O 3.28Å; K294-L343 PolarHBondContact NZ-O 3.2Å; K294-E345 HydrophobicContact CB-CG 3.8Å; K294-E345 HydrophobicContact CD-CG 3.77Å; K294-E345 HydrophobicContact CG-CG 4.38Å; K294-L348 HydrophobicContact CB-CD1 4.14Å; K294-L348 HydrophobicContact CD-CD1 4.42Å; K294-L348 HydrophobicContact CG-CD1 4.26Å |
| 295 | K | 87.5 | Confident | 88.1 | Confident | 164 Ų | 164 | 55.6 Ų | 55.6 | 71% | 0.713 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.9 | -40.8 | 178.5 | -66.3 | -178.2 | -178.1 | 177.6 | 0 | 113.2 | K293 L297 Q298 D299 | K293-K295 VanDerWaalsContact C-N 3.27Å; K293-K295 PolarHBondContact O-N 2.75Å; K293-K295 VanDerWaalsContact O-N 3.1Å; K295-L297 VanDerWaalsContact C-N 3.3Å; K295-Q298 PolarHBondContact O-N 2.88Å; K295-D299 WeakPolarHBondContact O-CB 3.46Å; K295-D299 PolarHBondContact O-N 3.3Å |
| 296 | E | 90.1 | Very high | 87.9 | Confident | 82 Ų | 82 | 52 Ų | 52 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.6 | -33.8 | 176.6 | -66.6 | -176.9 | -162.2 | 0 | 0 | 110.7 | L290 K293 L300 | L290-E296 HydrophobicContact CD2-CB 3.79Å; K293-E296 HydrophobicContact CB-CB 4.19Å; K293-E296 HydrophobicContact CB-CG 4.23Å; K293-E296 HydrophobicContact CD-CG 4.16Å; K293-E296 WeakPolarHBondContact CD-OE1 3.46Å; K293-E296 VanDerWaalsContact CD-OE2 3.27Å; K293-E296 WeakPolarHBondContact CD-OE2 3.42Å; K293-E296 IonicContact NZ-OE1 3.69Å; K293-E296 PolarHBondContact NZ-OE1 3.4Å; K293-E296 IonicContact NZ-OE2 2.88Å; K293-E296 PolarHBondContact NZ-OE2 3.48Å; K293-E296 PolarHBondContact O-N 2.71Å; E296-L300 WeakPolarHBondContact O-CB 3.16Å; E296-L300 PolarHBondContact O-N 3.48Å |
| 297 | L | 89.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 174.5 | -168.9 | 71.3 | 0 | 0 | 0 | 112.2 | L290 K293 K294 K295 L300 E301 L337 L340 T341 L348 | L290-L297 HydrophobicContact CB-CD1 3.94Å; L290-L297 HydrophobicContact CD1-CD1 4.43Å; K293-L297 PolarHBondContact O-N 3Å; K293-L297 VanDerWaalsContact O-N 3.17Å; K294-L297 WeakPolarHBondContact O-CB 3.33Å; K294-L297 PolarHBondContact O-N 3.25Å; K295-L297 VanDerWaalsContact C-N 3.3Å; L297-L300 WeakPolarHBondContact O-CB 3.16Å; L297-L300 PolarHBondContact O-N 3.26Å; L297-E301 PolarHBondContact O-N 3.2Å; L297-L337 HydrophobicContact CD1-CD2 3.45Å; L297-L337 VanDerWaalsContact CD1-CD2 3.45Å; L297-L337 HydrophobicContact CG-CD2 4.27Å; L297-L340 HydrophobicContact CD2-CB 3.86Å; L297-T341 HydrophobicContact CD2-CG2 4.02Å; L297-T341 HydrophobicContact CG-CG2 4Å; L297-L348 HydrophobicContact CD2-CD1 4.14Å; L297-L348 HydrophobicContact CD2-CD2 4.5Å |
| 298 | Q | 87.7 | Confident | 87.5 | Confident | 87 Ų | 87 | 51.5 Ų | 51.5 | 41% | 0.407 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 176.2 | -72.8 | 177.1 | -34.8 | 0 | 0 | 112.4 | K294 K295 L300 E301 Q302 T341 | K294-Q298 HydrophobicContact CG-CG 4.48Å; K294-Q298 WeakPolarHBondContact O-CG 3.08Å; K294-Q298 PolarHBondContact O-N 3.15Å; K295-Q298 PolarHBondContact O-N 2.88Å; Q298-L300 VanDerWaalsContact C-N 3.29Å; Q298-L300 PolarHBondContact O-N 3.27Å; Q298-E301 PolarHBondContact O-N 2.99Å; Q298-Q302 WeakPolarHBondContact O-CB 3.15Å; Q298-Q302 PolarHBondContact O-N 3.3Å; Q298-T341 HydrophobicContact CB-CG2 4.5Å; Q298-T341 HydrophobicContact CG-CG2 3.69Å |
| 299 | D | 88.6 | Confident | 87.1 | Confident | 70 Ų | 70 | 51.9 Ų | 51.9 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 174.7 | -180 | 73.1 | 0 | 0 | 0 | 111.4 | K295 K303 | K295-D299 WeakPolarHBondContact O-CB 3.46Å; K295-D299 PolarHBondContact O-N 3.3Å; D299-K303 WeakPolarHBondContact O-CB 3.39Å; D299-K303 VanDerWaalsContact O-CG 3.28Å; D299-K303 WeakPolarHBondContact O-CG 3.49Å; D299-K303 PolarHBondContact O-N 3.24Å; D299-K303 VanDerWaalsContact OD1-CE 3.26Å; D299-K303 WeakPolarHBondContact OD1-CE 3.15Å; D299-K303 IonicContact OD1-NZ 3.69Å; D299-K303 PolarHBondContact OD1-NZ 3.33Å; D299-K303 WeakPolarHBondContact OD2-CD 3.48Å; D299-K303 WeakPolarHBondContact OD2-CE 3.44Å; D299-K303 IonicContact OD2-NZ 2.85Å; D299-K303 PolarHBondContact OD2-NZ 2.88Å |
| 300 | L | 89.7 | Confident | 86.6 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 173.2 | -179.4 | 64.8 | 0 | 0 | 0 | 112.2 | L290 E296 L297 Q298 Q302 K303 L304 L316 A318 L337 | L290-L300 HydrophobicContact CD1-CD2 3.48Å; L290-L300 VanDerWaalsContact CD1-CD2 3.48Å; E296-L300 WeakPolarHBondContact O-CB 3.16Å; E296-L300 PolarHBondContact O-N 3.48Å; L297-L300 WeakPolarHBondContact O-CB 3.16Å; L297-L300 PolarHBondContact O-N 3.26Å; Q298-L300 VanDerWaalsContact C-N 3.29Å; Q298-L300 PolarHBondContact O-N 3.27Å; L300-Q302 VanDerWaalsContact C-N 3.33Å; L300-Q302 PolarHBondContact O-N 3.35Å; L300-K303 PolarHBondContact O-N 3.47Å; L300-L304 WeakPolarHBondContact O-CB 3.4Å; L300-L304 PolarHBondContact O-N 3.16Å; L300-L316 HydrophobicContact CD1-CB 4.1Å; L300-L316 HydrophobicContact CD1-CD1 3.78Å; L300-L316 HydrophobicContact CD1-CD2 4.5Å; L300-L316 HydrophobicContact CD1-CG 4.32Å; L300-A318 HydrophobicContact CD1-CB 3.92Å; L300-A318 HydrophobicContact CD2-CB 4.13Å; L300-L337 HydrophobicContact CD2-CD1 3.92Å; L300-L337 HydrophobicContact CD2-CD2 4.18Å; L300-L337 HydrophobicContact CG-CD1 3.89Å |
| 301 | E | 89.8 | Confident | 85.8 | Confident | 19 Ų | 19 | 55.5 Ų | 55.5 | 9% | 0.089 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.5 | -51.1 | 176 | -173.4 | -165.5 | 162.3 | 0 | 0 | 110.2 | K42 L297 Q298 K303 L304 E305 L334 L337 T341 | K42-E301 IonicContact NZ-OE1 2.67Å; K42-E301 PolarHBondContact NZ-OE1 3.37Å; L297-E301 PolarHBondContact O-N 3.2Å; Q298-E301 PolarHBondContact O-N 2.99Å; E301-K303 PolarHBondContact O-N 3.41Å; E301-L304 PolarHBondContact O-N 2.9Å; E301-E305 WeakPolarHBondContact O-CB 3.07Å; E301-E305 PolarHBondContact O-N 2.82Å; E301-L334 HydrophobicContact CG-CD1 3.9Å; E301-L337 HydrophobicContact CB-CB 4.21Å; E301-L337 HydrophobicContact CG-CB 4.23Å; E301-T341 WeakPolarHBondContact OE2-CB 3.49Å; E301-T341 VanDerWaalsContact OE2-CG2 3.27Å; E301-T341 WeakPolarHBondContact OE2-CG2 3.28Å; E301-T341 PolarHBondContact OE2-OG1 3.49Å |
| 302 | Q | 86.8 | Confident | 85.2 | Confident | 135 Ų | 135 | 61.1 Ų | 61.1 | 63% | 0.631 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.6 | -43 | -176.8 | -171.5 | 175.4 | 28.9 | 0 | 0 | 112.7 | Q298 L300 G306 | Q298-Q302 WeakPolarHBondContact O-CB 3.15Å; Q298-Q302 PolarHBondContact O-N 3.3Å; L300-Q302 VanDerWaalsContact C-N 3.33Å; L300-Q302 PolarHBondContact O-N 3.35Å; Q302-G306 PolarHBondContact O-N 3.13Å |
| 303 | K | 88.1 | Confident | 84.6 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 46% | 0.461 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 177.4 | -74 | 173.4 | 177.1 | 166.1 | 0 | 111.8 | D299 L300 E301 A307 L316 | D299-K303 WeakPolarHBondContact O-CB 3.39Å; D299-K303 VanDerWaalsContact O-CG 3.28Å; D299-K303 WeakPolarHBondContact O-CG 3.49Å; D299-K303 PolarHBondContact O-N 3.24Å; D299-K303 VanDerWaalsContact OD1-CE 3.26Å; D299-K303 WeakPolarHBondContact OD1-CE 3.15Å; D299-K303 IonicContact OD1-NZ 3.69Å; D299-K303 PolarHBondContact OD1-NZ 3.33Å; D299-K303 WeakPolarHBondContact OD2-CD 3.48Å; D299-K303 WeakPolarHBondContact OD2-CE 3.44Å; D299-K303 IonicContact OD2-NZ 2.85Å; D299-K303 PolarHBondContact OD2-NZ 2.88Å; L300-K303 PolarHBondContact O-N 3.47Å; E301-K303 PolarHBondContact O-N 3.41Å; K303-A307 VanDerWaalsContact O-CB 3.31Å; K303-A307 WeakPolarHBondContact O-CB 3.44Å; K303-A307 PolarHBondContact O-N 2.95Å; K303-L316 HydrophobicContact CB-CD2 3.72Å; K303-L316 HydrophobicContact CD-CD2 4.24Å |
| 304 | L | 87.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.4 | -45.8 | 178 | -177.6 | 59.6 | 0 | 0 | 0 | 111.2 | L300 E301 A307 L308 V314 L316 L319 M330 I333 L334 L337 | L300-L304 WeakPolarHBondContact O-CB 3.4Å; L300-L304 PolarHBondContact O-N 3.16Å; E301-L304 PolarHBondContact O-N 2.9Å; L304-A307 PolarHBondContact O-N 2.86Å; L304-L308 HydrophobicContact CD1-CD1 3.87Å; L304-L308 HydrophobicContact CD1-CG 4.12Å; L304-L308 HydrophobicContact CG-CD1 3.88Å; L304-L308 WeakPolarHBondContact O-CB 3.29Å; L304-L308 VanDerWaalsContact O-CG 3.29Å; L304-L308 WeakPolarHBondContact O-CG 3.29Å; L304-L308 PolarHBondContact O-N 3.17Å; L304-V314 HydrophobicContact CD1-CG1 4.04Å; L304-L316 HydrophobicContact CB-CD1 3.86Å; L304-L316 HydrophobicContact CD1-CD1 3.84Å; L304-L316 HydrophobicContact CG-CD1 4.42Å; L304-L319 HydrophobicContact CD1-CD1 4.3Å; L304-M330 HydrophobicContact CD1-CB 4.37Å; L304-M330 HydrophobicContact CD1-CE 3.58Å; L304-I333 HydrophobicContact CD2-CB 4.46Å; L304-I333 HydrophobicContact CD2-CG2 3.99Å; L304-L334 HydrophobicContact CB-CD1 4.39Å; L304-L334 HydrophobicContact CD2-CB 3.88Å; L304-L334 HydrophobicContact CD2-CD1 4.36Å; L304-L334 HydrophobicContact CG-CB 4.28Å; L304-L334 HydrophobicContact CG-CD1 4.34Å; L304-L337 HydrophobicContact CD2-CD1 3.86Å |
| 305 | E | 86.4 | Confident | 82.3 | Confident | 33 Ų | 33 | 69.7 Ų | 69.7 | 15% | 0.154 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.6 | -54.2 | 173.4 | -176.2 | 169.7 | -134.2 | 0 | 0 | 110.2 | K42 R43 E301 A307 L308 D309 L334 | K42-E305 WeakPolarHBondContact CE-OE1 3.49Å; K42-E305 WeakPolarHBondContact CG-OE1 3.43Å; R43-E305 HydrophobicContact CB-CG 4.44Å; E301-E305 WeakPolarHBondContact O-CB 3.07Å; E301-E305 PolarHBondContact O-N 2.82Å; E305-A307 VanDerWaalsContact C-N 3.33Å; E305-A307 PolarHBondContact O-N 3.26Å; E305-L308 PolarHBondContact O-N 3.32Å; E305-D309 VanDerWaalsContact O-CB 3.31Å; E305-D309 WeakPolarHBondContact O-CB 3.28Å; E305-D309 PolarHBondContact O-N 3.36Å; E305-L334 HydrophobicContact CB-CD1 3.98Å; E305-L334 HydrophobicContact CB-CD2 4.15Å; E305-L334 HydrophobicContact CG-CD2 4.4Å |
| 306 | G | 84.2 | Confident | 81.2 | Confident | 26 Ų | 26 | 63.2 Ų | 63.2 | 27% | 0.268 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.5 | -39.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q302 K310 | Q302-G306 PolarHBondContact O-N 3.13Å; G306-K310 VanDerWaalsContact O-CB 3.32Å; G306-K310 WeakPolarHBondContact O-CB 3.33Å; G306-K310 WeakPolarHBondContact O-CD 3.31Å; G306-K310 WeakPolarHBondContact O-CG 3.41Å; G306-K310 PolarHBondContact O-N 2.85Å |
| 307 | A | 85 | Confident | 80 | Confident | 14 Ų | 14 | 66.9 Ų | 66.9 | 12% | 0.116 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.3 | -42.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K303 L304 E305 K310 G311 Q312 V314 | K303-A307 VanDerWaalsContact O-CB 3.31Å; K303-A307 WeakPolarHBondContact O-CB 3.44Å; K303-A307 PolarHBondContact O-N 2.95Å; L304-A307 PolarHBondContact O-N 2.86Å; E305-A307 VanDerWaalsContact C-N 3.33Å; E305-A307 PolarHBondContact O-N 3.26Å; A307-K310 PolarHBondContact O-N 2.98Å; A307-G311 PolarHBondContact O-N 3.22Å; A307-Q312 PolarHBondContact O-N 3.19Å; A307-V314 HydrophobicContact CB-CG1 4.45Å; A307-V314 HydrophobicContact CB-CG2 3.82Å |
| 308 | L | 84.2 | Confident | 78.8 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68 | -35.7 | 177 | -70.1 | 170.8 | 0 | 0 | 0 | 112.2 | R43 L304 E305 G311 K327 M330 L334 | R43-L308 PolarHBondContact NH1-O 2.93Å; L304-L308 HydrophobicContact CD1-CD1 3.87Å; L304-L308 HydrophobicContact CD1-CG 4.12Å; L304-L308 HydrophobicContact CG-CD1 3.88Å; L304-L308 WeakPolarHBondContact O-CB 3.29Å; L304-L308 VanDerWaalsContact O-CG 3.29Å; L304-L308 WeakPolarHBondContact O-CG 3.29Å; L304-L308 PolarHBondContact O-N 3.17Å; E305-L308 PolarHBondContact O-N 3.32Å; L308-G311 PolarHBondContact O-N 2.98Å; L308-K327 HydrophobicContact CD2-CG 4.22Å; L308-M330 HydrophobicContact CD1-CB 4.17Å; L308-M330 HydrophobicContact CD2-CB 3.91Å; L308-L334 HydrophobicContact CD1-CB 4.29Å; L308-L334 HydrophobicContact CD1-CD2 3.98Å |
| 309 | D | 79.1 | Confident | 78 | Confident | 46 Ų | 46 | 64.8 Ų | 64.8 | 25% | 0.246 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.4 | -30.7 | 178.1 | -109.3 | 30 | 0 | 0 | 0 | 113.9 | R43 K149 E305 | R43-D309 WeakPolarHBondContact CD-OD1 3.29Å; R43-D309 IonicContact NH1-OD1 2.78Å; K149-D309 PolarHBondContact NZ-O 3.03Å; K149-D309 IonicContact NZ-OD2 3.78Å; K149-D309 PolarHBondContact NZ-OD2 3.08Å; E305-D309 VanDerWaalsContact O-CB 3.31Å; E305-D309 WeakPolarHBondContact O-CB 3.28Å; E305-D309 PolarHBondContact O-N 3.36Å |
| 310 | K | 77.5 | Confident | 77 | Confident | 137 Ų | 137 | 61.9 Ų | 61.9 | 60% | 0.596 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -89.1 | -6.2 | 174.9 | -66.3 | 173.3 | -177.1 | 178.1 | 0 | 112.7 | G306 A307 Q312 | G306-K310 VanDerWaalsContact O-CB 3.32Å; G306-K310 WeakPolarHBondContact O-CB 3.33Å; G306-K310 WeakPolarHBondContact O-CD 3.31Å; G306-K310 WeakPolarHBondContact O-CG 3.41Å; G306-K310 PolarHBondContact O-N 2.85Å; A307-K310 PolarHBondContact O-N 2.98Å; K310-Q312 HydrophobicContact CB-CG 3.85Å; K310-Q312 PolarHBondContact O-N 3.17Å |
| 311 | G | 73.7 | Confident | 76 | Confident | 64 Ų | 64 | 69.1 Ų | 69.1 | 66% | 0.66 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 25.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A307 L308 | A307-G311 PolarHBondContact O-N 3.22Å; L308-G311 PolarHBondContact O-N 2.98Å |
| 312 | Q | 74.9 | Confident | 74.6 | Confident | 120 Ų | 120 | 73.1 Ų | 73.1 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | trans | -82.2 | 152.8 | -179 | -71.4 | 177.1 | -16.9 | 0 | 0 | 110.8 | A307 K310 V314 | A307-Q312 PolarHBondContact O-N 3.19Å; K310-Q312 HydrophobicContact CB-CG 3.85Å; K310-Q312 PolarHBondContact O-N 3.17Å; Q312-V314 PolarHBondContact O-N 3.33Å | ||
| 313 | K | 69 | Low | 73.7 | Confident | 190 Ų | 190 | 67.8 Ų | 67.8 | 83% | 0.826 | 36% | 0.358 | S | S | * | . | trans | -64.1 | 120.9 | 175.8 | -173.1 | 173.1 | -177.5 | -178.4 | 0 | 109.1 | T315 | K313-T315 PolarHBondContact O-N 2.75Š| ||
| 314 | V | 66.6 | Low | 73 | Confident | 35 Ų | 35 | 71.2 Ų | 71.2 | 21% | 0.212 | 38% | 0.381 | C | S | . | . | trans | -82.2 | 110.3 | -177.2 | -168.4 | 0 | 0 | 0 | 0 | 109.8 | L304 A307 Q312 L316 L319 M330 | L304-V314 HydrophobicContact CD1-CG1 4.04Å; A307-V314 HydrophobicContact CB-CG1 4.45Å; A307-V314 HydrophobicContact CB-CG2 3.82Å; Q312-V314 PolarHBondContact O-N 3.33Å; V314-L316 HydrophobicContact CG1-CB 4.28Å; V314-L316 HydrophobicContact CG1-CD1 3.31Å; V314-L316 HydrophobicContact CG1-CG 3.47Å; V314-L316 VanDerWaalsContact CG1-CG 3.47Å; V314-L319 HydrophobicContact CG1-CD1 4.38Å; V314-M330 HydrophobicContact CB-CE 3.34Å; V314-M330 HydrophobicContact CB-SD 3.93Å; V314-M330 HydrophobicContact CG1-CE 3.27Å; V314-M330 HydrophobicContact CG1-SD 4.48Å; V314-M330 HydrophobicContact CG2-CE 3.59Å; V314-M330 HydrophobicContact CG2-SD 3.76Å | ||
| 315 | T | 62.4 | Low | 72.5 | Confident | 117 Ų | 117 | 72.9 Ų | 72.9 | 72% | 0.718 | 39% | 0.389 | S | S | * | . | trans | -118.1 | 73 | 171.1 | 55.5 | 0 | 0 | 0 | 0 | 108.9 | K313 | K313-T315 PolarHBondContact O-N 2.75Š| ||
| 316 | L | 64.6 | Low | 72.4 | Confident | 29 Ų | 29 | 74.2 Ų | 74.2 | 15% | 0.152 | 40% | 0.402 | C | S | . | . | trans | -94.9 | 122.9 | 179 | -64.1 | 167.2 | 0 | 0 | 0 | 108.7 | L300 K303 L304 V314 A318 L319 | L300-L316 HydrophobicContact CD1-CB 4.1Å; L300-L316 HydrophobicContact CD1-CD1 3.78Å; L300-L316 HydrophobicContact CD1-CD2 4.5Å; L300-L316 HydrophobicContact CD1-CG 4.32Å; K303-L316 HydrophobicContact CB-CD2 3.72Å; K303-L316 HydrophobicContact CD-CD2 4.24Å; L304-L316 HydrophobicContact CB-CD1 3.86Å; L304-L316 HydrophobicContact CD1-CD1 3.84Å; L304-L316 HydrophobicContact CG-CD1 4.42Å; V314-L316 HydrophobicContact CG1-CB 4.28Å; V314-L316 HydrophobicContact CG1-CD1 3.31Å; V314-L316 HydrophobicContact CG1-CG 3.47Å; V314-L316 VanDerWaalsContact CG1-CG 3.47Å; L316-A318 PolarHBondContact O-N 3Å; L316-L319 HydrophobicContact CB-CB 4.34Å; L316-L319 HydrophobicContact CB-CD1 4.08Å; L316-L319 HydrophobicContact CB-CG 4.04Å; L316-L319 HydrophobicContact CD1-CD1 3.87Å; L316-L319 HydrophobicContact CD1-CG 4.45Å; L316-L319 PolarHBondContact O-N 2.79Å | ||
| 317 | E | 63.8 | Low | 72.5 | Confident | 159 Ų | 159 | 78.7 Ų | 78.7 | 74% | 0.743 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27 | -177.9 | -57.8 | -159.6 | 119.6 | 0 | 0 | 113.4 | L319 K321 | E317-L319 VanDerWaalsContact C-N 3.31Å; E317-K321 IonicContact OE1-NZ 3.28Å; E317-K321 PolarHBondContact OE1-NZ 3.48Å |
| 318 | A | 65 | Low | 72.5 | Confident | 31 Ų | 31 | 82.4 Ų | 82.4 | 26% | 0.256 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -14.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S286 L290 L300 L316 | S286-A318 WeakPolarHBondContact CB-O 3.34Å; S286-A318 PolarHBondContact OG-O 3.26Å; L290-A318 HydrophobicContact CD1-CB 4.07Å; L300-A318 HydrophobicContact CD1-CB 3.92Å; L300-A318 HydrophobicContact CD2-CB 4.13Å; L316-A318 PolarHBondContact O-N 3Å |
| 319 | L | 71.6 | Confident | 72.7 | Confident | 12 Ų | 12 | 82 Ų | 82 | 6% | 0.063 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -90.1 | 150.4 | 172.1 | -68.4 | -179.6 | 0 | 0 | 0 | 110.1 | L283 L304 V314 L316 E317 K321 L325 M330 I333 | L283-L319 HydrophobicContact CD1-CD2 4.41Å; L304-L319 HydrophobicContact CD1-CD1 4.3Å; V314-L319 HydrophobicContact CG1-CD1 4.38Å; L316-L319 HydrophobicContact CB-CB 4.34Å; L316-L319 HydrophobicContact CB-CD1 4.08Å; L316-L319 HydrophobicContact CB-CG 4.04Å; L316-L319 HydrophobicContact CD1-CD1 3.87Å; L316-L319 HydrophobicContact CD1-CG 4.45Å; L316-L319 PolarHBondContact O-N 2.79Å; E317-L319 VanDerWaalsContact C-N 3.31Å; L319-K321 PolarHBondContact O-N 2.89Å; L319-L325 HydrophobicContact CB-CD1 4.2Å; L319-L325 HydrophobicContact CD1-CD1 3.92Å; L319-L325 HydrophobicContact CD2-CD1 4.34Å; L319-L325 HydrophobicContact CG-CD1 4.39Å; L319-M330 HydrophobicContact CD1-CE 3.49Å; L319-M330 VanDerWaalsContact CD1-CE 3.49Å; L319-I333 HydrophobicContact CD2-CG2 4.27Å |
| 320 | P | 66.7 | Low | 73.2 | Confident | 8 Ų | 8 | 80.6 Ų | 80.6 | 5% | 0.052 | 42% | 0.423 | C | S | . | . | trans | -58.9 | 110.8 | -178.4 | 25.1 | -36.2 | 0 | 0 | 0 | 111 | S282 L283 D322 V323 L325 | S282-P320 VanDerWaalsContact OG-CB 3.24Å; S282-P320 WeakPolarHBondContact OG-CB 3.19Å; L283-P320 HydrophobicContact CB-CG 4.37Å; P320-D322 VanDerWaalsContact CB-OD1 3.31Å; P320-D322 WeakPolarHBondContact CB-OD1 3.31Å; P320-D322 PolarHBondContact O-N 2.94Å; P320-V323 HydrophobicContact CB-CB 4.1Å; P320-V323 HydrophobicContact CB-CG2 3.8Å; P320-V323 HydrophobicContact CG-CB 4.03Å; P320-V323 HydrophobicContact CG-CG2 4.1Å; P320-V323 PolarHBondContact O-N 3.1Å; P320-L325 HydrophobicContact CG-CD1 4.47Å | ||
| 321 | K | 68.2 | Low | 73.7 | Confident | 160 Ų | 160 | 75 Ų | 75 | 70% | 0.696 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -21.6 | -179.7 | -64.7 | -178.9 | -178.9 | -179.9 | 0 | 112.1 | E317 L319 V323 | E317-K321 IonicContact OE1-NZ 3.28Å; E317-K321 PolarHBondContact OE1-NZ 3.48Å; L319-K321 PolarHBondContact O-N 2.89Å; K321-V323 VanDerWaalsContact C-N 3.3Å |
| 322 | D | 61.9 | Low | 74.6 | Confident | 103 Ų | 103 | 71.9 Ų | 71.9 | 55% | 0.551 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -6.9 | 178.5 | 59.7 | -49 | 0 | 0 | 0 | 113.4 | S282 P320 | S282-D322 WeakPolarHBondContact CB-OD2 3.48Å; S282-D322 PolarHBondContact OG-OD1 3.44Å; S282-D322 PolarHBondContact OG-OD2 2.91Å; P320-D322 VanDerWaalsContact CB-OD1 3.31Å; P320-D322 WeakPolarHBondContact CB-OD1 3.31Å; P320-D322 PolarHBondContact O-N 2.94Å |
| 323 | V | 67.5 | Low | 75.4 | Confident | 24 Ų | 24 | 66.4 Ų | 66.4 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -123.4 | 123.1 | -175.6 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | L275 P320 K321 L325 | L275-V323 HydrophobicContact CD2-CG1 4.33Å; P320-V323 HydrophobicContact CB-CB 4.1Å; P320-V323 HydrophobicContact CB-CG2 3.8Å; P320-V323 HydrophobicContact CG-CB 4.03Å; P320-V323 HydrophobicContact CG-CG2 4.1Å; P320-V323 PolarHBondContact O-N 3.1Å; K321-V323 VanDerWaalsContact C-N 3.3Å; V323-L325 HydrophobicContact CG1-CD2 4.02Å; V323-L325 PolarHBondContact O-N 3.41Å |
| 324 | L | 72.4 | Confident | 76.5 | Confident | 178 Ų | 178 | 57.6 Ų | 57.6 | 93% | 0.932 | 30% | 0.304 | S | S | * | . | trans | -74.6 | 104.4 | 168.6 | -71.2 | 169.4 | 0 | 0 | 0 | 109.2 | ||||
| 325 | L | 77.6 | Confident | 77.7 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | trans | -81.3 | 125.3 | 176.1 | -61.5 | 173.6 | 0 | 0 | 0 | 110.1 | L275 L319 P320 V323 M330 I333 | L275-L325 HydrophobicContact CD1-CD2 4.03Å; L275-L325 HydrophobicContact CD2-CD2 3.77Å; L319-L325 HydrophobicContact CB-CD1 4.2Å; L319-L325 HydrophobicContact CD1-CD1 3.92Å; L319-L325 HydrophobicContact CD2-CD1 4.34Å; L319-L325 HydrophobicContact CG-CD1 4.39Å; P320-L325 HydrophobicContact CG-CD1 4.47Å; V323-L325 HydrophobicContact CG1-CD2 4.02Å; V323-L325 PolarHBondContact O-N 3.41Å; L325-M330 HydrophobicContact CB-CG 3.65Å; L325-M330 HydrophobicContact CB-SD 4.2Å; L325-M330 HydrophobicContact CD1-CE 4.36Å; L325-M330 HydrophobicContact CD1-CG 4.37Å; L325-I333 HydrophobicContact CD1-CD1 3.89Å; L325-I333 HydrophobicContact CD2-CD1 4.18Å | ||
| 326 | S | 85.1 | Confident | 79.3 | Confident | 61 Ų | 61 | 50.7 Ų | 50.7 | 43% | 0.427 | 26% | 0.261 | S | S | . | . | trans | -68.5 | 156 | 168.7 | 67.7 | 0 | 0 | 0 | 0 | 110.1 | D328 A329 M330 | S326-D328 PolarHBondContact O-N 3.03Å; S326-A329 WeakPolarHBondContact O-CB 3.29Å; S326-A329 PolarHBondContact O-N 3.21Å; S326-A329 VanDerWaalsContact O-N 3.07Å; S326-A329 WeakPolarHBondContact OG-CB 3.48Å; S326-A329 PolarHBondContact OG-N 2.92Å; S326-M330 VanDerWaalsContact O-CG 3.29Å; S326-M330 WeakPolarHBondContact O-CG 3.23Å; S326-M330 PolarHBondContact O-N 2.82Å | ||
| 327 | K | 85.1 | Confident | 80.6 | Confident | 121 Ų | 121 | 49.4 Ų | 49.4 | 53% | 0.526 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -54.5 | -40.8 | 177.8 | -170.5 | 179.5 | 179 | -177.9 | 0 | 112.3 | L308 M330 D331 | L308-K327 HydrophobicContact CD2-CG 4.22Å; K327-M330 WeakPolarHBondContact O-CB 3.5Å; K327-M330 PolarHBondContact O-N 2.92Å; K327-D331 PolarHBondContact O-N 2.81Å |
| 328 | D | 86.7 | Confident | 81.9 | Confident | 92 Ų | 92 | 42.3 Ų | 42.3 | 49% | 0.492 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.1 | -38.7 | 179.2 | -55.6 | -25.8 | 0 | 0 | 0 | 111.8 | E271 S326 M330 D331 A332 | E271-D328 HydrophobicContact CG-CB 4.45Å; S326-D328 PolarHBondContact O-N 3.03Å; D328-M330 VanDerWaalsContact C-N 3.35Å; D328-D331 PolarHBondContact O-N 3.39Å; D328-A332 PolarHBondContact O-N 2.94Å |
| 329 | A | 87.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.6 | -37.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L275 S326 A332 I333 | L275-A329 HydrophobicContact CD2-CB 4.22Å; S326-A329 WeakPolarHBondContact O-CB 3.29Å; S326-A329 PolarHBondContact O-N 3.21Å; S326-A329 VanDerWaalsContact O-N 3.07Å; S326-A329 WeakPolarHBondContact OG-CB 3.48Å; S326-A329 PolarHBondContact OG-N 2.92Å; A329-A332 PolarHBondContact O-N 3.11Å; A329-I333 WeakPolarHBondContact O-CD1 3.39Å; A329-I333 VanDerWaalsContact O-CG1 3.23Å; A329-I333 WeakPolarHBondContact O-CG1 3.41Å; A329-I333 PolarHBondContact O-N 3.47Å |
| 330 | M | 88.9 | Confident | 84.4 | Confident | 17 Ų | 17 | 40.2 Ų | 40.2 | 8% | 0.084 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.8 | -37.9 | 175 | -59.1 | -165 | 84.5 | 0 | 0 | 112 | L304 L308 V314 L319 L325 S326 K327 D328 I333 L334 | L304-M330 HydrophobicContact CD1-CB 4.37Å; L304-M330 HydrophobicContact CD1-CE 3.58Å; L308-M330 HydrophobicContact CD1-CB 4.17Å; L308-M330 HydrophobicContact CD2-CB 3.91Å; V314-M330 HydrophobicContact CB-CE 3.34Å; V314-M330 HydrophobicContact CB-SD 3.93Å; V314-M330 HydrophobicContact CG1-CE 3.27Å; V314-M330 HydrophobicContact CG1-SD 4.48Å; V314-M330 HydrophobicContact CG2-CE 3.59Å; V314-M330 HydrophobicContact CG2-SD 3.76Å; L319-M330 HydrophobicContact CD1-CE 3.49Å; L319-M330 VanDerWaalsContact CD1-CE 3.49Å; L325-M330 HydrophobicContact CB-CG 3.65Å; L325-M330 HydrophobicContact CB-SD 4.2Å; L325-M330 HydrophobicContact CD1-CE 4.36Å; L325-M330 HydrophobicContact CD1-CG 4.37Å; S326-M330 VanDerWaalsContact O-CG 3.29Å; S326-M330 WeakPolarHBondContact O-CG 3.23Å; S326-M330 PolarHBondContact O-N 2.82Å; K327-M330 WeakPolarHBondContact O-CB 3.5Å; K327-M330 PolarHBondContact O-N 2.92Å; D328-M330 VanDerWaalsContact C-N 3.35Å; M330-I333 PolarHBondContact O-N 2.81Å; M330-L334 WeakPolarHBondContact O-CB 3.43Å; M330-L334 PolarHBondContact O-N 3.27Å |
| 331 | D | 89.1 | Confident | 85.5 | Confident | 18 Ų | 18 | 40.3 Ų | 40.3 | 10% | 0.096 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 172.9 | -87.5 | -34.2 | 0 | 0 | 0 | 111.8 | R43 K44 K327 D328 L334 Y335 | R43-D331 IonicContact CZ-OD1 2.64Å; R43-D331 IonicContact CZ-OD2 3.61Å; R43-D331 IonicContact NE-OD1 3.5Å; R43-D331 PolarHBondContact NE-OD1 3.32Å; R43-D331 IonicContact NE-OD2 3.7Å; R43-D331 VanDerWaalsContact NH2-CG 3.26Å; R43-D331 IonicContact NH2-OD1 3.45Å; R43-D331 PolarHBondContact NH2-OD1 3.48Å; R43-D331 IonicContact NH2-OD2 3.4Å; R43-D331 PolarHBondContact NH2-OD2 3.09Å; K44-D331 HydrophobicContact CD-CB 3.87Å; K44-D331 WeakPolarHBondContact CE-O 3.3Å; K44-D331 HydrophobicContact CG-CB 4.1Å; K44-D331 WeakPolarHBondContact CG-O 3.5Å; K327-D331 PolarHBondContact O-N 2.81Å; D328-D331 PolarHBondContact O-N 3.39Å; D331-L334 PolarHBondContact O-N 3.43Å; D331-Y335 PolarHBondContact O-N 2.87Å |
| 332 | A | 91.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E268 E271 V272 D328 A329 L334 Y335 F336 | E268-A332 HydrophobicContact CB-CB 4.24Å; E268-A332 WeakPolarHBondContact OE2-CA 3.36Å; E268-A332 WeakPolarHBondContact OE2-CB 3.45Å; E271-A332 HydrophobicContact CB-CB 3.78Å; V272-A332 HydrophobicContact CG2-CB 3.8Å; D328-A332 PolarHBondContact O-N 2.94Å; A329-A332 PolarHBondContact O-N 3.11Å; A332-L334 VanDerWaalsContact C-N 3.34Å; A332-L334 PolarHBondContact O-N 3.35Å; A332-Y335 WeakPolarHBondContact O-CB 3.33Å; A332-Y335 PolarHBondContact O-N 3.32Å; A332-F336 WeakPolarHBondContact O-CD2 3.33Å; A332-F336 PolarHBondContact O-N 3.22Å; A332-F336 VanDerWaalsContact O-N 3.15Å |
| 333 | I | 91.6 | Very high | 87.9 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 173 | -69.3 | 163.6 | 0 | 0 | 0 | 110.2 | L283 L304 L319 L325 A329 M330 Y335 F336 L337 | L283-I333 HydrophobicContact CD1-CD1 4.13Å; L283-I333 HydrophobicContact CD2-CD1 3.99Å; L283-I333 HydrophobicContact CD2-CG1 4.1Å; L304-I333 HydrophobicContact CD2-CB 4.46Å; L304-I333 HydrophobicContact CD2-CG2 3.99Å; L319-I333 HydrophobicContact CD2-CG2 4.27Å; L325-I333 HydrophobicContact CD1-CD1 3.89Å; L325-I333 HydrophobicContact CD2-CD1 4.18Å; A329-I333 WeakPolarHBondContact O-CD1 3.39Å; A329-I333 VanDerWaalsContact O-CG1 3.23Å; A329-I333 WeakPolarHBondContact O-CG1 3.41Å; A329-I333 PolarHBondContact O-N 3.47Å; M330-I333 PolarHBondContact O-N 2.81Å; I333-Y335 VanDerWaalsContact C-N 3.31Å; I333-Y335 PolarHBondContact O-N 2.81Å; I333-F336 PolarHBondContact O-N 2.87Å; I333-L337 HydrophobicContact CG2-CD1 3.99Å; I333-L337 HydrophobicContact CG2-CG 4.15Å; I333-L337 VanDerWaalsContact O-CG 3.31Å; I333-L337 WeakPolarHBondContact O-CG 3.33Å; I333-L337 PolarHBondContact O-N 3.45Å |
| 334 | L | 92.1 | Very high | 88.8 | Confident | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 177.5 | 178.6 | 62.5 | 0 | 0 | 0 | 111.8 | R43 K44 E301 L304 E305 L308 M330 D331 A332 F336 L337 G338 | R43-L334 HydrophobicContact CB-CD2 4.34Å; R43-L334 HydrophobicContact CG-CD2 3.97Å; K44-L334 HydrophobicContact CB-CD2 4.47Å; K44-L334 HydrophobicContact CG-CD2 4.35Å; E301-L334 HydrophobicContact CG-CD1 3.9Å; L304-L334 HydrophobicContact CB-CD1 4.39Å; L304-L334 HydrophobicContact CD2-CB 3.88Å; L304-L334 HydrophobicContact CD2-CD1 4.36Å; L304-L334 HydrophobicContact CG-CB 4.28Å; L304-L334 HydrophobicContact CG-CD1 4.34Å; E305-L334 HydrophobicContact CB-CD1 3.98Å; E305-L334 HydrophobicContact CB-CD2 4.15Å; E305-L334 HydrophobicContact CG-CD2 4.4Å; L308-L334 HydrophobicContact CD1-CB 4.29Å; L308-L334 HydrophobicContact CD1-CD2 3.98Å; M330-L334 WeakPolarHBondContact O-CB 3.43Å; M330-L334 PolarHBondContact O-N 3.27Å; D331-L334 PolarHBondContact O-N 3.43Å; A332-L334 VanDerWaalsContact C-N 3.34Å; A332-L334 PolarHBondContact O-N 3.35Å; L334-F336 PolarHBondContact O-N 3.36Å; L334-L337 PolarHBondContact O-N 3.32Å; L334-G338 PolarHBondContact O-N 2.99Å |
| 335 | Y | 93.1 | Very high | 89.5 | Confident | 7 Ų | 7 | 26.3 Ų | 26.3 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.9 | -50.2 | 175.5 | 174.7 | -96.7 | 0 | 0 | 0 | 112.2 | W49 E264 V265 E268 D331 A332 I333 G338 A339 A434 | W49-Y335 HydrophobicContact CH2-CE1 4.15Å; W49-Y335 HydrophobicContact CH2-CE2 4.24Å; W49-Y335 AromaticContact CH2-CZ 3.6Å; W49-Y335 WeakPolarHBondContact CH2-OH 3.34Å; W49-Y335 HydrophobicContact CZ2-CE1 4.11Å; W49-Y335 AromaticContact CZ2-CE2 3.96Å; W49-Y335 HydrophobicContact CZ2-CE2 3.96Å; W49-Y335 AromaticContact CZ2-CZ 3.66Å; E264-Y335 HydrophobicContact CG-CE2 4.11Å; E264-Y335 WeakPolarHBondContact CG-OH 3.25Å; E264-Y335 WeakPolarHBondContact OE1-CE2 3.45Å; E264-Y335 PolarHBondContact OE1-OH 2.63Å; V265-Y335 HydrophobicContact CG2-CE1 4.36Å; E268-Y335 HydrophobicContact CB-CD1 3.9Å; E268-Y335 HydrophobicContact CB-CE1 4.27Å; E268-Y335 HydrophobicContact CB-CG 4.46Å; E268-Y335 HydrophobicContact CG-CD1 3.63Å; E268-Y335 HydrophobicContact CG-CD2 4.31Å; E268-Y335 HydrophobicContact CG-CE1 3.91Å; E268-Y335 HydrophobicContact CG-CG 3.82Å; D331-Y335 PolarHBondContact O-N 2.87Å; A332-Y335 WeakPolarHBondContact O-CB 3.33Å; A332-Y335 PolarHBondContact O-N 3.32Å; I333-Y335 VanDerWaalsContact C-N 3.31Å; I333-Y335 PolarHBondContact O-N 2.81Å; Y335-G338 PolarHBondContact O-N 3.27Å; Y335-A339 PolarHBondContact O-N 2.9Å; Y335-A339 VanDerWaalsContact O-N 3.11Å; Y335-A434 HydrophobicContact CE1-CB 4.38Å |
| 336 | F | 94.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.9 | -30.9 | -180 | -68.4 | -62.3 | 0 | 0 | 0 | 113.4 | V265 E268 T269 V272 A332 I333 L334 G338 A339 L340 A434 L438 | V265-F336 HydrophobicContact CG1-CE1 4.3Å; E268-F336 HydrophobicContact CB-CE2 3.77Å; E268-F336 HydrophobicContact CB-CZ 3.74Å; T269-F336 HydrophobicContact CG2-CE1 4.39Å; T269-F336 HydrophobicContact CG2-CE2 4.45Å; T269-F336 HydrophobicContact CG2-CZ 3.64Å; V272-F336 HydrophobicContact CG2-CD2 4.31Å; V272-F336 HydrophobicContact CG2-CE2 4.01Å; A332-F336 WeakPolarHBondContact O-CD2 3.33Å; A332-F336 PolarHBondContact O-N 3.22Å; A332-F336 VanDerWaalsContact O-N 3.15Å; I333-F336 PolarHBondContact O-N 2.87Å; L334-F336 PolarHBondContact O-N 3.36Å; F336-G338 VanDerWaalsContact C-N 3.3Å; F336-A339 PolarHBondContact O-N 3.48Å; F336-L340 VanDerWaalsContact O-CG 3.3Å; F336-L340 WeakPolarHBondContact O-CG 3.48Å; F336-L340 PolarHBondContact O-N 2.89Å; F336-A434 HydrophobicContact CD1-CB 4.43Å; F336-A434 WeakPolarHBondContact CD1-O 3.44Å; F336-A434 HydrophobicContact CE1-CB 4.45Å; F336-A434 WeakPolarHBondContact CE1-O 3.38Å; F336-L438 HydrophobicContact CB-CB 4.32Å; F336-L438 HydrophobicContact CB-CD2 3.39Å; F336-L438 HydrophobicContact CB-CG 4.34Å; F336-L438 HydrophobicContact CD1-CB 3.71Å; F336-L438 HydrophobicContact CD1-CD2 4.39Å; F336-L438 HydrophobicContact CD2-CB 4.05Å; F336-L438 HydrophobicContact CD2-CD1 3.77Å; F336-L438 HydrophobicContact CD2-CD2 3.88Å; F336-L438 HydrophobicContact CD2-CG 4.1Å; F336-L438 HydrophobicContact CE1-CB 3.96Å; F336-L438 HydrophobicContact CE2-CB 4.3Å; F336-L438 HydrophobicContact CE2-CD1 4.01Å; F336-L438 HydrophobicContact CG-CB 3.77Å; F336-L438 HydrophobicContact CG-CD1 4.27Å; F336-L438 HydrophobicContact CG-CD2 3.65Å; F336-L438 HydrophobicContact CG-CG 4.08Å; F336-L438 HydrophobicContact CZ-CB 4.27Å |
| 337 | L | 93.6 | Very high | 90 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 170.7 | -73 | 177.4 | 0 | 0 | 0 | 110.3 | L287 L297 L300 E301 L304 I333 L334 A339 L340 T341 | L287-L337 HydrophobicContact CD2-CD2 4.01Å; L297-L337 HydrophobicContact CD1-CD2 3.45Å; L297-L337 VanDerWaalsContact CD1-CD2 3.45Å; L297-L337 HydrophobicContact CG-CD2 4.27Å; L300-L337 HydrophobicContact CD2-CD1 3.92Å; L300-L337 HydrophobicContact CD2-CD2 4.18Å; L300-L337 HydrophobicContact CG-CD1 3.89Å; E301-L337 HydrophobicContact CB-CB 4.21Å; E301-L337 HydrophobicContact CG-CB 4.23Å; L304-L337 HydrophobicContact CD2-CD1 3.86Å; I333-L337 HydrophobicContact CG2-CD1 3.99Å; I333-L337 HydrophobicContact CG2-CG 4.15Å; I333-L337 VanDerWaalsContact O-CG 3.31Å; I333-L337 WeakPolarHBondContact O-CG 3.33Å; I333-L337 PolarHBondContact O-N 3.45Å; L334-L337 PolarHBondContact O-N 3.32Å; L337-A339 VanDerWaalsContact C-N 3.31Å; L337-A339 PolarHBondContact O-N 2.88Å; L337-L340 PolarHBondContact O-N 2.98Å; L337-L340 VanDerWaalsContact O-N 3.16Å; L337-T341 WeakPolarHBondContact O-CG2 3.36Å; L337-T341 PolarHBondContact O-N 3.05Å; L337-T341 PolarHBondContact O-OG1 3.23Å; L337-T341 VanDerWaalsContact O-OG1 3.12Å |
| 338 | G | 91.1 | Very high | 90.2 | Very high | 9 Ų | 9 | 18.8 Ų | 18.8 | 9% | 0.093 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.8 | -40.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | L334 Y335 F336 T341 E342 | L334-G338 PolarHBondContact O-N 2.99Å; Y335-G338 PolarHBondContact O-N 3.27Å; F336-G338 VanDerWaalsContact C-N 3.3Å; G338-T341 PolarHBondContact O-OG1 2.88Å; G338-T341 VanDerWaalsContact O-OG1 3.13Å; G338-E342 WeakPolarHBondContact O-CG 3.18Å |
| 339 | A | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.7 | -40.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | W49 Y335 F336 L337 A434 | W49-A339 HydrophobicContact CH2-CB 4.45Å; W49-A339 HydrophobicContact CZ2-CB 3.67Å; Y335-A339 PolarHBondContact O-N 2.9Å; Y335-A339 VanDerWaalsContact O-N 3.11Å; F336-A339 PolarHBondContact O-N 3.48Å; L337-A339 VanDerWaalsContact C-N 3.31Å; L337-A339 PolarHBondContact O-N 2.88Å; A339-A434 HydrophobicContact CB-CB 3.85Å |
| 340 | L | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -72.4 | -31.6 | -179.5 | -68.3 | 169.1 | 0 | 0 | 0 | 112.3 | L291 L297 F336 L337 E342 L343 L348 L351 | L291-L340 HydrophobicContact CD2-CD1 4.07Å; L291-L340 HydrophobicContact CD2-CD2 4.01Å; L297-L340 HydrophobicContact CD2-CB 3.86Å; F336-L340 VanDerWaalsContact O-CG 3.3Å; F336-L340 WeakPolarHBondContact O-CG 3.48Å; F336-L340 PolarHBondContact O-N 2.89Å; L337-L340 PolarHBondContact O-N 2.98Å; L337-L340 VanDerWaalsContact O-N 3.16Å; L340-E342 VanDerWaalsContact C-N 3.28Å; L340-E342 PolarHBondContact O-N 2.74Å; L340-L343 HydrophobicContact CD2-CD1 4.16Å; L340-L343 WeakPolarHBondContact O-CB 3.19Å; L340-L343 PolarHBondContact O-N 3.25Å; L340-L348 HydrophobicContact CB-CD2 4.23Å; L340-L348 HydrophobicContact CD2-CD2 4.16Å; L340-L348 WeakPolarHBondContact O-CD2 3.38Å; L340-L351 HydrophobicContact CD2-CD1 4.16Å |
| 341 | T | 91.3 | Very high | 90.8 | Very high | 10 Ų | 10 | 17.1 Ų | 17.1 | 6% | 0.061 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -72.8 | -20.7 | 179.5 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | K294 L297 Q298 E301 L337 G338 L343 | K294-T341 VanDerWaalsContact CE-O 3.25Å; K294-T341 WeakPolarHBondContact CE-O 3.49Å; K294-T341 PolarHBondContact NZ-O 3.28Å; L297-T341 HydrophobicContact CD2-CG2 4.02Å; L297-T341 HydrophobicContact CG-CG2 4Å; Q298-T341 HydrophobicContact CB-CG2 4.5Å; Q298-T341 HydrophobicContact CG-CG2 3.69Å; E301-T341 WeakPolarHBondContact OE2-CB 3.49Å; E301-T341 VanDerWaalsContact OE2-CG2 3.27Å; E301-T341 WeakPolarHBondContact OE2-CG2 3.28Å; E301-T341 PolarHBondContact OE2-OG1 3.49Å; L337-T341 WeakPolarHBondContact O-CG2 3.36Å; L337-T341 PolarHBondContact O-N 3.05Å; L337-T341 PolarHBondContact O-OG1 3.23Å; L337-T341 VanDerWaalsContact O-OG1 3.12Å; G338-T341 PolarHBondContact O-OG1 2.88Å; G338-T341 VanDerWaalsContact O-OG1 3.13Å; T341-L343 VanDerWaalsContact C-N 3.32Å |
| 342 | E | 89.8 | Confident | 90.9 | Very high | 48 Ų | 48 | 17.7 Ų | 17.7 | 22% | 0.224 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.7 | -32.1 | 168.1 | -66.1 | -57.7 | 139.5 | 0 | 0 | 112.7 | W49 G50 G338 L340 A431 | W49-E342 HydrophobicContact CB-CG 4.15Å; W49-E342 HydrophobicContact CG-CG 4.06Å; G50-E342 VanDerWaalsContact CA-OE1 3.25Å; G50-E342 WeakPolarHBondContact CA-OE1 3.42Å; G338-E342 WeakPolarHBondContact O-CG 3.18Å; L340-E342 VanDerWaalsContact C-N 3.28Å; L340-E342 PolarHBondContact O-N 2.74Å; E342-A431 HydrophobicContact CB-CB 3.83Å; E342-A431 HydrophobicContact CG-CB 4.22Å |
| 343 | L | 89.4 | Confident | 90.9 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -72 | 151.4 | -178.1 | -54 | -179.2 | 0 | 0 | 0 | 112 | K294 L340 T341 Q347 L348 L351 A431 L432 | K294-L343 PolarHBondContact NZ-O 3.2Å; L340-L343 HydrophobicContact CD2-CD1 4.16Å; L340-L343 WeakPolarHBondContact O-CB 3.19Å; L340-L343 PolarHBondContact O-N 3.25Å; T341-L343 VanDerWaalsContact C-N 3.32Å; L343-Q347 HydrophobicContact CB-CB 4.1Å; L343-L348 HydrophobicContact CB-CD2 4.05Å; L343-L348 HydrophobicContact CB-CG 4.28Å; L343-L348 HydrophobicContact CD1-CD2 4.2Å; L343-L351 HydrophobicContact CD1-CD1 3.7Å; L343-A431 HydrophobicContact CD2-CB 4.44Å; L343-L432 HydrophobicContact CD1-CD1 4.13Å; L343-L432 HydrophobicContact CD2-CB 4.03Å; L343-L432 HydrophobicContact CD2-CD1 4.35Å |
| 344 | T | 86.6 | Confident | 90.9 | Very high | 34 Ų | 34 | 20.5 Ų | 20.5 | 21% | 0.209 | 10% | 0.101 | C | C | . | . | trans | -69.4 | 159.9 | 176.6 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | E346 Q347 L348 | T344-E346 PolarHBondContact O-N 3.46Å; T344-Q347 PolarHBondContact O-N 3.28Å; T344-Q347 WeakPolarHBondContact OG1-CB 3.28Å; T344-Q347 WeakPolarHBondContact OG1-CG 3.33Å; T344-Q347 PolarHBondContact OG1-N 3.32Å; T344-Q347 PolarHBondContact OG1-OE1 3.28Å; T344-L348 WeakPolarHBondContact O-CG 3.3Å; T344-L348 PolarHBondContact O-N 3.31Å | ||
| 345 | E | 87.4 | Confident | 90.8 | Very high | 87 Ų | 87 | 21.5 Ų | 21.5 | 41% | 0.407 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -61.2 | -34.3 | 178.1 | -62.2 | -167.3 | 179.1 | 0 | 0 | 111.8 | K294 K349 | K294-E345 HydrophobicContact CB-CG 3.8Å; K294-E345 HydrophobicContact CD-CG 3.77Å; K294-E345 HydrophobicContact CG-CG 4.38Å; E345-K349 VanDerWaalsContact O-CG 3.3Å; E345-K349 WeakPolarHBondContact O-CG 3.4Å; E345-K349 PolarHBondContact O-N 3.03Å; E345-K349 VanDerWaalsContact O-N 3.13Å |
| 346 | E | 84.6 | Confident | 90.7 | Very high | 55 Ų | 55 | 27.8 Ų | 27.8 | 26% | 0.257 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -66.5 | -46 | 176.1 | -63.4 | 69.9 | -152 | 0 | 0 | 110.9 | T344 L348 K349 I350 L407 | T344-E346 PolarHBondContact O-N 3.46Å; E346-L348 VanDerWaalsContact C-N 3.34Å; E346-L348 PolarHBondContact O-N 2.89Å; E346-K349 PolarHBondContact O-N 3.38Å; E346-I350 VanDerWaalsContact O-CG1 3.24Å; E346-I350 WeakPolarHBondContact O-CG1 3.15Å; E346-I350 PolarHBondContact O-N 2.74Å; E346-L407 HydrophobicContact CB-CD1 3.77Å |
| 347 | Q | 88.3 | Confident | 90.4 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 175.4 | -77.5 | 172.2 | -54.5 | 0 | 0 | 111.9 | L343 T344 K349 I350 L351 L404 L407 S408 | L343-Q347 HydrophobicContact CB-CB 4.1Å; T344-Q347 PolarHBondContact O-N 3.28Å; T344-Q347 WeakPolarHBondContact OG1-CB 3.28Å; T344-Q347 WeakPolarHBondContact OG1-CG 3.33Å; T344-Q347 PolarHBondContact OG1-N 3.32Å; T344-Q347 PolarHBondContact OG1-OE1 3.28Å; Q347-K349 VanDerWaalsContact C-N 3.32Å; Q347-K349 PolarHBondContact O-N 3.49Å; Q347-I350 CarbonylContact O-C 3.44Å; Q347-I350 PolarHBondContact O-N 2.69Å; Q347-I350 VanDerWaalsContact O-N 3.14Å; Q347-L351 WeakPolarHBondContact O-CG 3.47Å; Q347-L351 PolarHBondContact O-N 3.26Å; Q347-L404 HydrophobicContact CB-CD1 4.14Å; Q347-L404 HydrophobicContact CG-CD1 4.19Å; Q347-L404 PolarHBondContact NE2-O 2.98Å; Q347-L407 VanDerWaalsContact CD-CB 3.45Å; Q347-L407 HydrophobicContact CG-CB 3.44Å; Q347-L407 VanDerWaalsContact CG-CB 3.44Å; Q347-L407 HydrophobicContact CG-CD1 3.64Å; Q347-L407 HydrophobicContact CG-CG 4.19Å; Q347-L407 VanDerWaalsContact NE2-C 3.29Å; Q347-S408 PolarHBondContact NE2-OG 2.83Å |
| 348 | L | 90.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -39.4 | 178.7 | -61.7 | 171.8 | 0 | 0 | 0 | 111.7 | L291 K294 L297 L340 L343 T344 E346 L351 V352 | L291-L348 HydrophobicContact CD2-CB 4.49Å; L291-L348 HydrophobicContact CD2-CD2 3.63Å; L291-L348 WeakPolarHBondContact O-CB 3.39Å; K294-L348 HydrophobicContact CB-CD1 4.14Å; K294-L348 HydrophobicContact CD-CD1 4.42Å; K294-L348 HydrophobicContact CG-CD1 4.26Å; L297-L348 HydrophobicContact CD2-CD1 4.14Å; L297-L348 HydrophobicContact CD2-CD2 4.5Å; L340-L348 HydrophobicContact CB-CD2 4.23Å; L340-L348 HydrophobicContact CD2-CD2 4.16Å; L340-L348 WeakPolarHBondContact O-CD2 3.38Å; L343-L348 HydrophobicContact CB-CD2 4.05Å; L343-L348 HydrophobicContact CB-CG 4.28Å; L343-L348 HydrophobicContact CD1-CD2 4.2Å; T344-L348 WeakPolarHBondContact O-CG 3.3Å; T344-L348 PolarHBondContact O-N 3.31Å; E346-L348 VanDerWaalsContact C-N 3.34Å; E346-L348 PolarHBondContact O-N 2.89Å; L348-L351 HydrophobicContact CD2-CD1 4.4Å; L348-L351 PolarHBondContact O-N 2.64Å; L348-V352 PolarHBondContact O-N 3.42Å |
| 349 | K | 89.9 | Confident | 90.5 | Very high | 74 Ų | 74 | 39 Ų | 39 | 32% | 0.322 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.1 | -39 | 172.8 | -69.2 | 168.2 | -169.7 | 168.5 | 0 | 112.1 | L186 E345 E346 Q347 L351 V352 K353 | L186-K349 HydrophobicContact CD2-CD 4.42Å; E345-K349 VanDerWaalsContact O-CG 3.3Å; E345-K349 WeakPolarHBondContact O-CG 3.4Å; E345-K349 PolarHBondContact O-N 3.03Å; E345-K349 VanDerWaalsContact O-N 3.13Å; E346-K349 PolarHBondContact O-N 3.38Å; Q347-K349 VanDerWaalsContact C-N 3.32Å; Q347-K349 PolarHBondContact O-N 3.49Å; K349-L351 VanDerWaalsContact C-N 3.33Å; K349-V352 PolarHBondContact O-N 3.23Å; K349-K353 PolarHBondContact O-N 3.46Å |
| 350 | I | 90.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -37.6 | 175.7 | -67.6 | 162.2 | 0 | 0 | 0 | 110.8 | L181 L186 E346 Q347 V352 K353 S354 L400 A403 L404 L407 | L181-I350 HydrophobicContact CD2-CD1 4.19Å; L186-I350 HydrophobicContact CD1-CD1 4.11Å; L186-I350 HydrophobicContact CD1-CG1 3.73Å; E346-I350 VanDerWaalsContact O-CG1 3.24Å; E346-I350 WeakPolarHBondContact O-CG1 3.15Å; E346-I350 PolarHBondContact O-N 2.74Å; Q347-I350 CarbonylContact O-C 3.44Å; Q347-I350 PolarHBondContact O-N 2.69Å; Q347-I350 VanDerWaalsContact O-N 3.14Å; I350-V352 VanDerWaalsContact C-N 3.33Å; I350-V352 PolarHBondContact O-N 2.72Å; I350-K353 PolarHBondContact O-N 2.94Å; I350-S354 VanDerWaalsContact O-CB 3.31Å; I350-S354 WeakPolarHBondContact O-CB 3.14Å; I350-S354 PolarHBondContact O-N 3.24Å; I350-S354 PolarHBondContact O-OG 2.76Å; I350-L400 HydrophobicContact CG1-CD2 4.49Å; I350-L400 HydrophobicContact CG2-CB 4.31Å; I350-L400 HydrophobicContact CG2-CD2 4Å; I350-L400 WeakPolarHBondContact CG2-O 3.23Å; I350-A403 HydrophobicContact CD1-CB 3.8Å; I350-L404 HydrophobicContact CB-CD1 4.35Å; I350-L404 HydrophobicContact CG2-CB 3.85Å; I350-L404 HydrophobicContact CG2-CD1 4.07Å; I350-L404 HydrophobicContact CG2-CG 4.41Å; I350-L407 HydrophobicContact CD1-CD1 4.16Å |
| 351 | L | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -39.1 | 175 | -73.5 | 175.9 | 0 | 0 | 0 | 112.1 | L340 L343 Q347 L348 K349 S354 L355 L360 L404 L432 L436 L439 | L340-L351 HydrophobicContact CD2-CD1 4.16Å; L343-L351 HydrophobicContact CD1-CD1 3.7Å; Q347-L351 WeakPolarHBondContact O-CG 3.47Å; Q347-L351 PolarHBondContact O-N 3.26Å; L348-L351 HydrophobicContact CD2-CD1 4.4Å; L348-L351 PolarHBondContact O-N 2.64Å; K349-L351 VanDerWaalsContact C-N 3.33Å; L351-S354 PolarHBondContact O-N 2.85Å; L351-L355 PolarHBondContact O-N 2.67Å; L351-L360 HydrophobicContact CD2-CD2 4.45Å; L351-L404 HydrophobicContact CD2-CD1 3.9Å; L351-L404 HydrophobicContact CD2-CD2 3.85Å; L351-L404 HydrophobicContact CG-CD1 3.97Å; L351-L432 HydrophobicContact CD2-CD1 4.45Å; L351-L436 HydrophobicContact CD2-CD2 3.56Å; L351-L436 HydrophobicContact CD2-CG 4.31Å; L351-L439 HydrophobicContact CB-CD1 4.03Å; L351-L439 HydrophobicContact CD1-CD1 4.05Å; L351-L439 HydrophobicContact CD2-CD1 4.28Å; L351-L439 HydrophobicContact CG-CD1 4.36Å |
| 352 | V | 92.4 | Very high | 90.5 | Very high | 31 Ų | 31 | 43.1 Ų | 43.1 | 19% | 0.188 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -48.3 | 173.5 | 177.6 | 0 | 0 | 0 | 0 | 111 | L291 L348 K349 I350 S354 L355 E356 | L291-V352 HydrophobicContact CB-CG2 3.5Å; L291-V352 VanDerWaalsContact CB-CG2 3.5Å; L291-V352 HydrophobicContact CD1-CG2 3.94Å; L291-V352 HydrophobicContact CG-CG2 4.38Å; L348-V352 PolarHBondContact O-N 3.42Å; K349-V352 PolarHBondContact O-N 3.23Å; I350-V352 VanDerWaalsContact C-N 3.33Å; I350-V352 PolarHBondContact O-N 2.72Å; V352-S354 VanDerWaalsContact C-N 3.27Å; V352-S354 PolarHBondContact O-N 3.34Å; V352-L355 WeakPolarHBondContact O-CB 3.31Å; V352-L355 PolarHBondContact O-N 3.41Å; V352-E356 WeakPolarHBondContact O-CG 3.46Å; V352-E356 PolarHBondContact O-N 3.29Å; V352-E356 VanDerWaalsContact O-N 3.15Å |
| 353 | K | 90.9 | Very high | 90.7 | Very high | 63 Ų | 63 | 40.8 Ų | 40.8 | 27% | 0.274 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.2 | -37.2 | 175.4 | -67.5 | -176.9 | 178 | -173.4 | 0 | 112.1 | L184 K349 I350 E356 K357 L400 | L184-K353 PolarHBondContact O-NZ 3.44Å; K349-K353 PolarHBondContact O-N 3.46Å; I350-K353 PolarHBondContact O-N 2.94Å; K353-E356 PolarHBondContact O-N 2.87Å; K353-K357 WeakPolarHBondContact O-CB 3.34Å; K353-K357 WeakPolarHBondContact O-CG 3.33Å; K353-K357 PolarHBondContact O-N 2.94Å; K353-L400 HydrophobicContact CB-CD1 4.2Å; K353-L400 HydrophobicContact CB-CD2 4Å; K353-L400 HydrophobicContact CD-CD2 3.88Å |
| 354 | S | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.3 | -32.5 | 179.6 | -58 | 0 | 0 | 0 | 0 | 112.5 | I350 L351 V352 K358 I359 Q363 | I350-S354 VanDerWaalsContact O-CB 3.31Å; I350-S354 WeakPolarHBondContact O-CB 3.14Å; I350-S354 PolarHBondContact O-N 3.24Å; I350-S354 PolarHBondContact O-OG 2.76Å; L351-S354 PolarHBondContact O-N 2.85Å; V352-S354 VanDerWaalsContact C-N 3.27Å; V352-S354 PolarHBondContact O-N 3.34Å; S354-K358 PolarHBondContact O-N 3.37Å; S354-I359 PolarHBondContact O-N 3.06Å; S354-I359 VanDerWaalsContact O-N 3.14Å; S354-Q363 VanDerWaalsContact CB-OE1 3.27Å; S354-Q363 PolarHBondContact OG-NE2 2.92Å; S354-Q363 PolarHBondContact OG-OE1 3.35Å |
| 355 | L | 90.9 | Very high | 91.3 | Very high | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -47.2 | 169.2 | -86.8 | 163.4 | 0 | 0 | 0 | 111.3 | L284 L291 L351 V352 K358 L360 L439 | L284-L355 HydrophobicContact CD1-CD1 4.24Å; L284-L355 HydrophobicContact CD1-CD2 4.09Å; L291-L355 HydrophobicContact CD1-CD1 4.28Å; L351-L355 PolarHBondContact O-N 2.67Å; V352-L355 WeakPolarHBondContact O-CB 3.31Å; V352-L355 PolarHBondContact O-N 3.41Å; L355-K358 PolarHBondContact O-N 3.34Å; L355-L360 HydrophobicContact CD2-CD1 3.36Å; L355-L360 HydrophobicContact CD2-CG 4.37Å; L355-L360 HydrophobicContact CG-CD1 3.81Å; L355-L360 HydrophobicContact CG-CG 4.46Å; L355-L439 HydrophobicContact CD1-CD1 4.19Å; L355-L439 HydrophobicContact CD1-CD2 4.24Å; L355-L439 HydrophobicContact CD2-CB 4.39Å |
| 356 | E | 89.7 | Confident | 91.6 | Very high | 138 Ų | 138 | 40.9 Ų | 40.9 | 65% | 0.645 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -62.7 | -43.7 | 178.9 | -67.2 | 170.5 | 176.8 | 0 | 0 | 111.9 | V352 K353 K358 | V352-E356 WeakPolarHBondContact O-CG 3.46Å; V352-E356 PolarHBondContact O-N 3.29Å; V352-E356 VanDerWaalsContact O-N 3.15Å; K353-E356 PolarHBondContact O-N 2.87Å; E356-K358 VanDerWaalsContact C-N 3.26Å; E356-K358 PolarHBondContact O-N 3.34Å |
| 357 | K | 89.7 | Confident | 92.1 | Very high | 74 Ų | 74 | 38.3 Ų | 38.3 | 32% | 0.322 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -76.7 | -8.3 | 178 | -67.3 | -65 | -152.8 | -74.6 | 0 | 113.9 | K353 I359 E396 E397 L400 | K353-K357 WeakPolarHBondContact O-CB 3.34Å; K353-K357 WeakPolarHBondContact O-CG 3.33Å; K353-K357 PolarHBondContact O-N 2.94Å; K357-I359 VanDerWaalsContact C-N 3.3Å; K357-I359 HydrophobicContact CB-CD1 4.45Å; K357-I359 HydrophobicContact CB-CG1 4.31Å; K357-I359 HydrophobicContact CB-CG2 4.21Å; K357-I359 PolarHBondContact O-N 3.48Å; K357-E396 VanDerWaalsContact CE-CD 3.48Å; K357-E396 WeakPolarHBondContact CE-OE1 3.29Å; K357-E396 VanDerWaalsContact CE-OE2 3.3Å; K357-E396 WeakPolarHBondContact CE-OE2 3.39Å; K357-E396 VanDerWaalsContact NZ-CD 3.33Å; K357-E396 IonicContact NZ-OE1 3.85Å; K357-E396 PolarHBondContact NZ-OE1 3.35Å; K357-E396 IonicContact NZ-OE2 3.69Å; K357-E396 PolarHBondContact NZ-OE2 3.17Å; K357-E397 HydrophobicContact CB-CG 4.33Å; K357-L400 HydrophobicContact CG-CD1 4.3Å |
| 358 | K | 91.6 | Very high | 92.4 | Very high | 162 Ų | 162 | 39.6 Ų | 39.6 | 70% | 0.704 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 35.7 | 179.4 | -55.3 | 175.4 | -174.9 | 163.5 | 0 | 114.3 | S354 L355 E356 | S354-K358 PolarHBondContact O-N 3.37Å; L355-K358 PolarHBondContact O-N 3.34Å; E356-K358 VanDerWaalsContact C-N 3.26Å; E356-K358 PolarHBondContact O-N 3.34Å |
| 359 | I | 93.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | trans | -99.8 | 0 | -178.4 | 60.5 | 176 | 0 | 0 | 0 | 114.1 | S354 K357 P361 V362 Q363 L393 E397 L400 | S354-I359 PolarHBondContact O-N 3.06Å; S354-I359 VanDerWaalsContact O-N 3.14Å; K357-I359 VanDerWaalsContact C-N 3.3Å; K357-I359 HydrophobicContact CB-CD1 4.45Å; K357-I359 HydrophobicContact CB-CG1 4.31Å; K357-I359 HydrophobicContact CB-CG2 4.21Å; K357-I359 PolarHBondContact O-N 3.48Å; I359-P361 VanDerWaalsContact C-N 3.31Å; I359-V362 WeakPolarHBondContact O-CB 3.49Å; I359-V362 PolarHBondContact O-N 3.42Å; I359-Q363 PolarHBondContact O-N 2.96Å; I359-Q363 VanDerWaalsContact O-N 3.13Å; I359-L393 HydrophobicContact CB-CD2 4.09Å; I359-L393 HydrophobicContact CG2-CD2 3.84Å; I359-E397 HydrophobicContact CD1-CB 3.94Å; I359-E397 HydrophobicContact CD1-CG 4.22Å; I359-E397 HydrophobicContact CG2-CB 3.98Å; I359-E397 HydrophobicContact CG2-CG 3.66Å; I359-L400 HydrophobicContact CD1-CB 4.22Å; I359-L400 HydrophobicContact CD1-CD1 4.27Å | ||
| 360 | L | 93.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -49.9 | -40 | 176.7 | -61.5 | -175.4 | 0 | 0 | 0 | 114.8 | L351 L355 V362 Q363 L364 L436 L439 | L351-L360 HydrophobicContact CD2-CD2 4.45Å; L355-L360 HydrophobicContact CD2-CD1 3.36Å; L355-L360 HydrophobicContact CD2-CG 4.37Å; L355-L360 HydrophobicContact CG-CD1 3.81Å; L355-L360 HydrophobicContact CG-CG 4.46Å; L360-V362 VanDerWaalsContact C-N 3.26Å; L360-V362 PolarHBondContact O-N 3.2Å; L360-Q363 PolarHBondContact O-N 3.23Å; L360-L364 WeakPolarHBondContact O-CB 3.37Å; L360-L364 PolarHBondContact O-N 3.02Å; L360-L436 HydrophobicContact CD2-CD2 3.78Å; L360-L439 HydrophobicContact CD1-CB 3.67Å |
| 361 | P | 93.4 | Very high | 92.7 | Very high | 63 Ų | 63 | 36.4 Ų | 36.4 | 41% | 0.409 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.5 | -37.1 | 179.4 | -19.4 | 30.8 | 0 | 0 | 0 | 112.5 | I359 K365 | I359-P361 VanDerWaalsContact C-N 3.31Å; P361-K365 WeakPolarHBondContact O-CB 3.43Å; P361-K365 PolarHBondContact O-N 3.29Å |
| 362 | V | 93.3 | Very high | 92.7 | Very high | 31 Ų | 31 | 41.7 Ų | 41.7 | 19% | 0.188 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.1 | -47.2 | 179.4 | -177 | 0 | 0 | 0 | 0 | 110.1 | I359 L360 L364 K365 L366 L389 L393 | I359-V362 WeakPolarHBondContact O-CB 3.49Å; I359-V362 PolarHBondContact O-N 3.42Å; L360-V362 VanDerWaalsContact C-N 3.26Å; L360-V362 PolarHBondContact O-N 3.2Å; V362-L364 PolarHBondContact O-N 2.95Å; V362-K365 PolarHBondContact O-N 2.83Å; V362-L366 PolarHBondContact O-N 2.97Å; V362-L389 WeakPolarHBondContact CG1-O 3.2Å; V362-L393 HydrophobicContact CB-CD2 4.14Å; V362-L393 HydrophobicContact CG1-CD1 3.98Å; V362-L393 HydrophobicContact CG1-CD2 3.97Å; V362-L393 HydrophobicContact CG1-CG 4.06Å; V362-L393 HydrophobicContact CG2-CD2 4.22Å |
| 363 | Q | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 176.9 | -67.8 | 174.4 | -22.8 | 0 | 0 | 111.9 | S354 I359 L360 K365 L366 V367 T401 L404 L436 | S354-Q363 VanDerWaalsContact CB-OE1 3.27Å; S354-Q363 PolarHBondContact OG-NE2 2.92Å; S354-Q363 PolarHBondContact OG-OE1 3.35Å; I359-Q363 PolarHBondContact O-N 2.96Å; I359-Q363 VanDerWaalsContact O-N 3.13Å; L360-Q363 PolarHBondContact O-N 3.23Å; Q363-K365 VanDerWaalsContact C-N 3.34Å; Q363-K365 PolarHBondContact O-N 3.07Å; Q363-L366 PolarHBondContact O-N 3.23Å; Q363-V367 WeakPolarHBondContact O-CG2 3.42Å; Q363-V367 PolarHBondContact O-N 3.47Å; Q363-T401 HydrophobicContact CG-CG2 3.93Å; Q363-T401 WeakPolarHBondContact CG-OG1 3.27Å; Q363-T401 PolarHBondContact NE2-OG1 3.42Å; Q363-L404 HydrophobicContact CB-CD2 4.41Å; Q363-L404 HydrophobicContact CG-CD2 4.29Å; Q363-L436 HydrophobicContact CB-CD1 4.19Å; Q363-L436 HydrophobicContact CB-CD2 4.16Å |
| 364 | L | 95.1 | Very high | 92.6 | Very high | 24 Ų | 24 | 42.2 Ų | 42.2 | 13% | 0.126 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.5 | 178.8 | 59.5 | 0 | 0 | 0 | 110.9 | L360 V362 L366 V367 E368 Y433 L436 H440 | L360-L364 WeakPolarHBondContact O-CB 3.37Å; L360-L364 PolarHBondContact O-N 3.02Å; V362-L364 PolarHBondContact O-N 2.95Å; L364-L366 PolarHBondContact O-N 3.42Å; L364-V367 PolarHBondContact O-N 3.47Å; L364-E368 VanDerWaalsContact O-CB 3.23Å; L364-E368 WeakPolarHBondContact O-CB 3.35Å; L364-E368 PolarHBondContact O-N 2.91Å; L364-Y433 HydrophobicContact CD1-CD2 3.67Å; L364-Y433 HydrophobicContact CD1-CE2 3.73Å; L364-L436 HydrophobicContact CB-CB 4.28Å; L364-L436 HydrophobicContact CD1-CB 3.88Å; L364-H440 HydrophobicContact CD2-CB 3.98Å |
| 365 | K | 94.2 | Very high | 92.4 | Very high | 99 Ų | 99 | 42.5 Ų | 42.5 | 43% | 0.43 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.8 | -38.8 | 179.8 | -172.4 | 63.4 | -173.4 | 167.6 | 0 | 112.5 | P361 V362 Q363 E368 S369 L389 | P361-K365 WeakPolarHBondContact O-CB 3.43Å; P361-K365 PolarHBondContact O-N 3.29Å; V362-K365 PolarHBondContact O-N 2.83Å; Q363-K365 VanDerWaalsContact C-N 3.34Å; Q363-K365 PolarHBondContact O-N 3.07Å; K365-E368 IonicContact NZ-OE2 2.79Å; K365-S369 WeakPolarHBondContact O-CB 3.42Å; K365-S369 PolarHBondContact O-N 3.03Å; K365-S369 PolarHBondContact O-OG 3.39Å; K365-L389 HydrophobicContact CG-CD2 3.76Å |
| 366 | L | 92.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -51 | 174.6 | 175.4 | 63.4 | 0 | 0 | 0 | 111.3 | V362 Q363 L364 S369 T370 L385 L389 L390 T401 V405 | V362-L366 PolarHBondContact O-N 2.97Å; Q363-L366 PolarHBondContact O-N 3.23Å; L364-L366 PolarHBondContact O-N 3.42Å; L366-S369 PolarHBondContact O-N 3.38Å; L366-S369 PolarHBondContact O-OG 3.42Å; L366-T370 HydrophobicContact CD1-CG2 4.3Å; L366-T370 WeakPolarHBondContact O-CG2 3.49Å; L366-T370 PolarHBondContact O-N 2.83Å; L366-T370 VanDerWaalsContact O-N 3.13Å; L366-T370 PolarHBondContact O-OG1 3.35Å; L366-L385 HydrophobicContact CD1-CD1 3.57Å; L366-L385 HydrophobicContact CD1-CD2 3.96Å; L366-L385 HydrophobicContact CD1-CG 4.35Å; L366-L389 HydrophobicContact CD1-CD1 4.22Å; L366-L390 HydrophobicContact CD2-CD2 4.18Å; L366-T401 HydrophobicContact CD2-CG2 3.75Å; L366-V405 HydrophobicContact CD2-CG1 4.15Å; L366-V405 HydrophobicContact CD2-CG2 4.47Å |
| 367 | V | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -41.3 | -180 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | Q363 L364 T370 L371 V405 L429 L432 Y433 L436 | Q363-V367 WeakPolarHBondContact O-CG2 3.42Å; Q363-V367 PolarHBondContact O-N 3.47Å; L364-V367 PolarHBondContact O-N 3.47Å; V367-T370 PolarHBondContact O-OG1 2.93Å; V367-T370 VanDerWaalsContact O-OG1 3.08Å; V367-L371 HydrophobicContact CG1-CD1 3.89Å; V367-L371 HydrophobicContact CG1-CG 4.42Å; V367-L371 WeakPolarHBondContact O-CB 3.35Å; V367-L371 WeakPolarHBondContact O-CG 3.4Å; V367-L371 PolarHBondContact O-N 2.59Å; V367-V405 HydrophobicContact CG2-CG1 3.81Å; V367-L429 HydrophobicContact CG1-CD1 4.13Å; V367-L429 HydrophobicContact CG1-CG 4.01Å; V367-L429 HydrophobicContact CG2-CD1 4.38Å; V367-L432 HydrophobicContact CG2-CD2 3.94Å; V367-L432 HydrophobicContact CG2-CG 4.4Å; V367-Y433 HydrophobicContact CG1-CD2 4.46Å; V367-L436 HydrophobicContact CB-CD1 4.39Å; V367-L436 HydrophobicContact CG2-CD1 3.94Å |
| 368 | E | 94.8 | Very high | 91.3 | Very high | 31 Ų | 31 | 45.5 Ų | 45.5 | 15% | 0.145 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -48.5 | 177.7 | -169.1 | -170.8 | -153.3 | 0 | 0 | 111.8 | F258 K262 L364 K365 L371 E372 Y433 | F258-E368 HydrophobicContact CE1-CG 4.43Å; F258-E368 HydrophobicContact CZ-CG 3.79Å; K262-E368 WeakPolarHBondContact CE-OE1 3.32Å; K262-E368 IonicContact NZ-OE1 3.96Å; K262-E368 PolarHBondContact NZ-OE1 2.89Å; L364-E368 VanDerWaalsContact O-CB 3.23Å; L364-E368 WeakPolarHBondContact O-CB 3.35Å; L364-E368 PolarHBondContact O-N 2.91Å; K365-E368 IonicContact NZ-OE2 2.79Å; E368-L371 PolarHBondContact O-N 2.86Å; E368-E372 VanDerWaalsContact O-CB 3.3Å; E368-E372 WeakPolarHBondContact O-CB 3.36Å; E368-E372 PolarHBondContact O-N 2.86Å; E368-Y433 HydrophobicContact CB-CD2 4.27Å; E368-Y433 HydrophobicContact CB-CE2 3.86Å; E368-Y433 HydrophobicContact CG-CE2 3.82Å |
| 369 | S | 92.5 | Very high | 90.8 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 6% | 0.056 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.6 | -38.3 | -176.7 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | K365 L366 Q373 | K365-S369 WeakPolarHBondContact O-CB 3.42Å; K365-S369 PolarHBondContact O-N 3.03Å; K365-S369 PolarHBondContact O-OG 3.39Å; L366-S369 PolarHBondContact O-N 3.38Å; L366-S369 PolarHBondContact O-OG 3.42Å; S369-Q373 WeakPolarHBondContact O-CB 3.32Å; S369-Q373 VanDerWaalsContact O-CG 3.25Å; S369-Q373 WeakPolarHBondContact O-CG 3.42Å; S369-Q373 PolarHBondContact O-N 3.3Å; S369-Q373 VanDerWaalsContact O-N 3.12Å |
| 370 | T | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.3 | -42.5 | 176.8 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | L366 V367 Q373 N374 L385 L410 Y419 | L366-T370 HydrophobicContact CD1-CG2 4.3Å; L366-T370 WeakPolarHBondContact O-CG2 3.49Å; L366-T370 PolarHBondContact O-N 2.83Å; L366-T370 VanDerWaalsContact O-N 3.13Å; L366-T370 PolarHBondContact O-OG1 3.35Å; V367-T370 PolarHBondContact O-OG1 2.93Å; V367-T370 VanDerWaalsContact O-OG1 3.08Å; T370-Q373 PolarHBondContact O-N 2.96Å; T370-N374 PolarHBondContact O-N 2.92Å; T370-N374 VanDerWaalsContact O-N 3.13Å; T370-N374 PolarHBondContact O-OD1 2.77Å; T370-N374 VanDerWaalsContact O-OD1 3.05Å; T370-L385 HydrophobicContact CG2-CD1 4.41Å; T370-L410 HydrophobicContact CG2-CD2 4.08Å; T370-Y419 HydrophobicContact CG2-CD1 4.33Å; T370-Y419 HydrophobicContact CG2-CD2 4.22Å; T370-Y419 HydrophobicContact CG2-CE1 4.13Å; T370-Y419 HydrophobicContact CG2-CE2 4.01Å; T370-Y419 HydrophobicContact CG2-CG 4.36Å |
| 371 | L | 92.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -46.7 | 171.9 | -77.2 | 173.5 | 0 | 0 | 0 | 111.5 | F258 L261 V367 E368 Q373 N374 F375 W421 L429 Y433 | F258-L371 HydrophobicContact CD2-CB 3.72Å; F258-L371 HydrophobicContact CE2-CB 3.49Å; F258-L371 VanDerWaalsContact CE2-CB 3.49Å; F258-L371 HydrophobicContact CE2-CD1 4.12Å; F258-L371 HydrophobicContact CE2-CG 4.45Å; F258-L371 HydrophobicContact CZ-CB 4.33Å; L261-L371 HydrophobicContact CD2-CD1 4.26Å; V367-L371 HydrophobicContact CG1-CD1 3.89Å; V367-L371 HydrophobicContact CG1-CG 4.42Å; V367-L371 WeakPolarHBondContact O-CB 3.35Å; V367-L371 WeakPolarHBondContact O-CG 3.4Å; V367-L371 PolarHBondContact O-N 2.59Å; E368-L371 PolarHBondContact O-N 2.86Å; L371-Q373 VanDerWaalsContact C-N 3.31Å; L371-Q373 PolarHBondContact O-N 3.1Å; L371-N374 PolarHBondContact O-N 2.76Å; L371-F375 HydrophobicContact CB-CD2 4.49Å; L371-F375 HydrophobicContact CD2-CD2 4.13Å; L371-F375 HydrophobicContact CD2-CE2 4.32Å; L371-F375 WeakPolarHBondContact O-CA 3.46Å; L371-F375 WeakPolarHBondContact O-CB 3.3Å; L371-F375 PolarHBondContact O-N 2.85Å; L371-W421 HydrophobicContact CD2-CH2 3.98Å; L371-W421 HydrophobicContact CD2-CZ3 4.33Å; L371-L429 HydrophobicContact CD1-CG 4.47Å; L371-L429 HydrophobicContact CD2-CB 4.17Å; L371-L429 HydrophobicContact CD2-CD2 3.74Å; L371-L429 HydrophobicContact CD2-CG 4.08Å; L371-L429 HydrophobicContact CG-CD2 3.89Å; L371-L429 HydrophobicContact CG-CG 4.15Å; L371-Y433 HydrophobicContact CD1-CG 4.1Å |
| 372 | E | 93 | Very high | 89.6 | Confident | 110 Ų | 110 | 52 Ų | 52 | 51% | 0.514 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | -178.6 | -172.4 | 167.9 | -133.1 | 0 | 0 | 112.8 | F258 E368 | F258-E372 HydrophobicContact CD1-CB 3.73Å; F258-E372 HydrophobicContact CD1-CG 3.85Å; F258-E372 HydrophobicContact CE1-CB 3.55Å; F258-E372 HydrophobicContact CE1-CG 3.87Å; F258-E372 HydrophobicContact CG-CB 4.47Å; F258-E372 HydrophobicContact CZ-CB 4.17Å; E368-E372 VanDerWaalsContact O-CB 3.3Å; E368-E372 WeakPolarHBondContact O-CB 3.36Å; E368-E372 PolarHBondContact O-N 2.86Å |
| 373 | Q | 90.4 | Very high | 89.3 | Confident | 104 Ų | 104 | 53 Ų | 53 | 49% | 0.486 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -76.6 | -34.8 | -178 | -72.6 | 173.3 | 12.9 | 0 | 0 | 113.3 | S369 T370 L371 Y419 | S369-Q373 WeakPolarHBondContact O-CB 3.32Å; S369-Q373 VanDerWaalsContact O-CG 3.25Å; S369-Q373 WeakPolarHBondContact O-CG 3.42Å; S369-Q373 PolarHBondContact O-N 3.3Å; S369-Q373 VanDerWaalsContact O-N 3.12Å; T370-Q373 PolarHBondContact O-N 2.96Å; L371-Q373 VanDerWaalsContact C-N 3.31Å; L371-Q373 PolarHBondContact O-N 3.1Å; Q373-Y419 PolarHBondContact OE1-OH 2.84Å; Q373-Y419 VanDerWaalsContact OE1-OH 3.06Å |
| 374 | N | 90.9 | Very high | 89 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.011 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -116.6 | 0.1 | -167.3 | -55.9 | 83.1 | 0 | 0 | 0 | 114.5 | T370 L371 L376 Q377 F383 Y419 W421 | T370-N374 PolarHBondContact O-N 2.92Å; T370-N374 VanDerWaalsContact O-N 3.13Å; T370-N374 PolarHBondContact O-OD1 2.77Å; T370-N374 VanDerWaalsContact O-OD1 3.05Å; L371-N374 PolarHBondContact O-N 2.76Å; N374-L376 PolarHBondContact O-N 3.14Å; N374-Q377 HydrophobicContact CB-CG 4.41Å; N374-Q377 VanDerWaalsContact ND2-CD 3.3Å; N374-Q377 PolarHBondContact ND2-NE2 2.8Å; N374-Q377 PolarHBondContact ND2-OE1 3.43Å; N374-Q377 WeakPolarHBondContact O-CB 3.21Å; N374-Q377 PolarHBondContact O-N 3.43Å; N374-F383 WeakPolarHBondContact ND2-CD2 3.41Å; N374-F383 WeakPolarHBondContact ND2-CE2 3.5Å; N374-F383 WeakPolarHBondContact ND2-CZ 3.23Å; N374-Y419 PolarHBondContact OD1-OH 3.04Å; N374-W421 HydrophobicContact CB-CD2 3.4Å; N374-W421 HydrophobicContact CB-CE3 3.71Å; N374-W421 HydrophobicContact CB-CG 3.75Å; N374-W421 HydrophobicContact CB-CH2 4.26Å; N374-W421 HydrophobicContact CB-CZ2 3.99Å; N374-W421 HydrophobicContact CB-CZ3 4.12Å; N374-W421 WeakPolarHBondContact O-CZ2 3.46Å |
| 375 | F | 88.3 | Confident | 88.6 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 2% | 0.022 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -39.3 | -169.9 | -154.7 | -97 | 0 | 0 | 0 | 115.5 | F48 F258 L261 L371 R426 | F48-F375 AromaticContact CD1-CZ 3.75Å; F48-F375 HydrophobicContact CD1-CZ 3.75Å; F48-F375 HydrophobicContact CE1-CE1 4.13Å; F48-F375 AromaticContact CE1-CZ 3.65Å; F48-F375 HydrophobicContact CE1-CZ 3.65Å; F258-F375 HydrophobicContact CB-CB 3.92Å; F258-F375 HydrophobicContact CB-CD1 4.26Å; F258-F375 HydrophobicContact CB-CD2 3.77Å; F258-F375 HydrophobicContact CB-CE2 4.35Å; F258-F375 HydrophobicContact CB-CG 3.71Å; F258-F375 AromaticContact CD2-CD2 3.91Å; F258-F375 HydrophobicContact CD2-CD2 3.91Å; F258-F375 HydrophobicContact CD2-CE2 4.21Å; F258-F375 HydrophobicContact CG-CD2 4.31Å; L261-F375 HydrophobicContact CD2-CE2 3.97Å; L371-F375 HydrophobicContact CB-CD2 4.49Å; L371-F375 HydrophobicContact CD2-CD2 4.13Å; L371-F375 HydrophobicContact CD2-CE2 4.32Å; L371-F375 WeakPolarHBondContact O-CA 3.46Å; L371-F375 WeakPolarHBondContact O-CB 3.3Å; L371-F375 PolarHBondContact O-N 2.85Å; F375-R426 HydrophobicContact CE2-CG 4.5Å; F375-R426 PolarHBondContact O-NH1 3.04Å |
| 376 | L | 86.3 | Confident | 88.1 | Confident | 122 Ų | 122 | 57.2 Ų | 57.2 | 64% | 0.639 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 1.9 | -176.2 | -60.8 | 179 | 0 | 0 | 0 | 113.1 | N374 D378 | N374-L376 PolarHBondContact O-N 3.14Å; L376-D378 PolarHBondContact O-N 3.25Å |
| 377 | Q | 85.6 | Confident | 87.4 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 30% | 0.304 | 32% | 0.319 | S | S | . | . | trans | -71.9 | 125.9 | 176.4 | -66.9 | -171.8 | -5.8 | 0 | 0 | 109.9 | N374 F383 | N374-Q377 HydrophobicContact CB-CG 4.41Å; N374-Q377 VanDerWaalsContact ND2-CD 3.3Å; N374-Q377 PolarHBondContact ND2-NE2 2.8Å; N374-Q377 PolarHBondContact ND2-OE1 3.43Å; N374-Q377 WeakPolarHBondContact O-CB 3.21Å; N374-Q377 PolarHBondContact O-N 3.43Å; Q377-F383 VanDerWaalsContact OE1-CE2 3.3Å | ||
| 378 | D | 76.1 | Confident | 86.8 | Confident | 115 Ų | 115 | 66 Ų | 66 | 62% | 0.615 | 34% | 0.344 | S | S | * | . | trans | -87.2 | -14.6 | -177.3 | 59.7 | -44.4 | 0 | 0 | 0 | 112.9 | R13 L376 | R13-D378 PolarHBondContact NH2-O 3.44Å; L376-D378 PolarHBondContact O-N 3.25Å | ||
| 379 | K | 79.9 | Confident | 86.1 | Confident | 147 Ų | 147 | 65.3 Ų | 65.3 | 64% | 0.639 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -123.6 | 155.7 | -175.9 | -59 | -171.2 | -177.7 | -172.8 | 0 | 112.1 | ||
| 380 | E | 83.9 | Confident | 85.6 | Confident | 113 Ų | 113 | 66 Ų | 66 | 53% | 0.528 | 34% | 0.344 | S | S | . | . | trans | -63.1 | 150.8 | 170.3 | 77.8 | -168.2 | 171.8 | 0 | 0 | 111.3 | K97 W421 | K97-E380 VanDerWaalsContact CD-OE2 3.23Å; K97-E380 WeakPolarHBondContact CD-OE2 3.18Å; K97-E380 IonicContact NZ-OE1 3.83Å; K97-E380 PolarHBondContact NZ-OE1 2.69Å; K97-E380 IonicContact NZ-OE2 3.35Å; K97-E380 PolarHBondContact NZ-OE2 3.29Å; E380-W421 WeakPolarHBondContact CA-O 3.34Å; E380-W421 WeakPolarHBondContact CB-O 3.45Å | ||
| 381 | G | 82.6 | Confident | 85.2 | Confident | 17 Ų | 17 | 70.5 Ų | 70.5 | 18% | 0.175 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 152.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F383 A420 W421 | G381-F383 VanDerWaalsContact C-CE2 3.48Å; G381-F383 WeakPolarHBondContact O-CD2 3.32Å; G381-F383 WeakPolarHBondContact O-CE2 3.4Å; G381-A420 WeakPolarHBondContact O-CA 3.32Å; G381-W421 PolarHBondContact N-O 3.01Å; G381-W421 PolarHBondContact O-N 2.81Å |
| 382 | V | 88.8 | Confident | 84.8 | Confident | 98 Ų | 98 | 74.6 Ų | 74.6 | 59% | 0.594 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.1 | 171.9 | -178.1 | 0 | 0 | 0 | 0 | 108 | Q418 Y419 | V382-Q418 HydrophobicContact CG1-CB 4.28Å; V382-Q418 HydrophobicContact CG1-CG 4.38Å; V382-Y419 WeakPolarHBondContact CA-O 3.5Å |
| 383 | F | 87.1 | Confident | 84.5 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 23% | 0.228 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 145.3 | -174.3 | -62.2 | -79.5 | 0 | 0 | 0 | 110.9 | N374 Q377 G381 L385 Q418 Y419 W421 | N374-F383 WeakPolarHBondContact ND2-CD2 3.41Å; N374-F383 WeakPolarHBondContact ND2-CE2 3.5Å; N374-F383 WeakPolarHBondContact ND2-CZ 3.23Å; Q377-F383 VanDerWaalsContact OE1-CE2 3.3Å; G381-F383 VanDerWaalsContact C-CE2 3.48Å; G381-F383 WeakPolarHBondContact O-CD2 3.32Å; G381-F383 WeakPolarHBondContact O-CE2 3.4Å; F383-L385 PolarHBondContact O-N 2.87Å; F383-Q418 CarbonylContact O-C 3.53Å; F383-Q418 VanDerWaalsContact O-CA 3.23Å; F383-Q418 WeakPolarHBondContact O-CA 3.41Å; F383-Y419 HydrophobicContact CB-CD1 4.17Å; F383-Y419 HydrophobicContact CB-CD2 4.42Å; F383-Y419 HydrophobicContact CB-CE1 3.62Å; F383-Y419 HydrophobicContact CB-CE2 3.89Å; F383-Y419 VanDerWaalsContact CB-CZ 3.46Å; F383-Y419 HydrophobicContact CD2-CD2 4.5Å; F383-Y419 AromaticContact CD2-CE2 3.89Å; F383-Y419 HydrophobicContact CD2-CE2 3.89Å; F383-Y419 HydrophobicContact CG-CE2 4.23Å; F383-Y419 PolarHBondContact N-O 3.33Å; F383-Y419 PolarHBondContact O-N 3.05Å; F383-W421 HydrophobicContact CD2-CB 4.08Å; F383-W421 HydrophobicContact CE2-CB 3.86Å |
| 384 | P | 87 | Confident | 84.4 | Confident | 101 Ų | 101 | 67.1 Ų | 67.1 | 66% | 0.656 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 132.3 | 169.9 | 29.1 | -32.5 | 0 | 0 | 0 | 109.6 | ||
| 385 | L | 86.4 | Confident | 84.1 | Confident | 10 Ų | 10 | 72.6 Ų | 72.6 | 5% | 0.052 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 141.2 | 172.7 | -171.6 | 63.8 | 0 | 0 | 0 | 109.7 | L366 T370 F383 P387 L389 L390 V412 P417 Y419 | L366-L385 HydrophobicContact CD1-CD1 3.57Å; L366-L385 HydrophobicContact CD1-CD2 3.96Å; L366-L385 HydrophobicContact CD1-CG 4.35Å; T370-L385 HydrophobicContact CG2-CD1 4.41Å; F383-L385 PolarHBondContact O-N 2.87Å; L385-P387 WeakPolarHBondContact O-CD 3.42Å; L385-L389 HydrophobicContact CD1-CD1 3.85Å; L385-L389 HydrophobicContact CG-CD1 4.48Å; L385-L390 HydrophobicContact CD2-CD1 3.51Å; L385-L390 HydrophobicContact CD2-CG 4.03Å; L385-V412 HydrophobicContact CD2-CG1 3.96Å; L385-P417 HydrophobicContact CB-CB 4.04Å; L385-P417 WeakPolarHBondContact CB-O 3.13Å; L385-P417 PolarHBondContact N-O 3.12Å; L385-Y419 HydrophobicContact CB-CD1 3.89Å; L385-Y419 HydrophobicContact CB-CE1 4.5Å; L385-Y419 HydrophobicContact CD1-CD1 3.72Å; L385-Y419 HydrophobicContact CD1-CE1 4.03Å; L385-Y419 HydrophobicContact CG-CD1 4.36Å |
| 386 | Q | 83.3 | Confident | 84.1 | Confident | 100 Ų | 100 | 76.8 Ų | 76.8 | 47% | 0.467 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 122 | 176.6 | -58.1 | -170.1 | -49.8 | 0 | 0 | 110.1 | D388 L389 | Q386-D388 WeakPolarHBondContact CB-OD1 3.47Å; Q386-D388 PolarHBondContact O-N 3.33Å; Q386-L389 HydrophobicContact CB-CD1 4.1Å; Q386-L389 HydrophobicContact CB-CG 4.17Å; Q386-L389 WeakPolarHBondContact O-CB 3.48Å; Q386-L389 PolarHBondContact O-N 3.44Å; Q386-L389 VanDerWaalsContact O-N 3.16Å |
| 387 | P | 79.4 | Confident | 84.2 | Confident | 86 Ų | 86 | 73.2 Ų | 73.2 | 56% | 0.558 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -61.6 | -29.1 | -173.4 | -23.5 | 32.3 | 0 | 0 | 0 | 114.5 | L385 L389 L390 S391 P417 | L385-P387 WeakPolarHBondContact O-CD 3.42Å; P387-L389 PolarHBondContact O-N 3.43Å; P387-L390 PolarHBondContact O-N 3.2Å; P387-S391 WeakPolarHBondContact O-CB 2.94Å; P387-S391 PolarHBondContact O-N 3.35Å; P387-P417 HydrophobicContact CB-CG 4.06Å; P387-P417 HydrophobicContact CG-CG 3.79Å |
| 388 | D | 82.1 | Confident | 84.3 | Confident | 100 Ų | 100 | 71.3 Ų | 71.3 | 54% | 0.535 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -64.6 | -23.7 | 179.1 | 57.1 | -60.8 | 0 | 0 | 0 | 113.3 | Q386 L390 S391 | Q386-D388 WeakPolarHBondContact CB-OD1 3.47Å; Q386-D388 PolarHBondContact O-N 3.33Å; D388-L390 VanDerWaalsContact C-N 3.26Å; D388-L390 PolarHBondContact O-N 2.62Å; D388-S391 PolarHBondContact O-OG 2.72Å |
| 389 | L | 80.6 | Confident | 84.9 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -67.1 | -27.7 | 176.8 | -66.9 | 175.6 | 0 | 0 | 0 | 112.6 | V362 K365 L366 L385 Q386 P387 | V362-L389 WeakPolarHBondContact CG1-O 3.2Å; K365-L389 HydrophobicContact CG-CD2 3.76Å; L366-L389 HydrophobicContact CD1-CD1 4.22Å; L385-L389 HydrophobicContact CD1-CD1 3.85Å; L385-L389 HydrophobicContact CG-CD1 4.48Å; Q386-L389 HydrophobicContact CB-CD1 4.1Å; Q386-L389 HydrophobicContact CB-CG 4.17Å; Q386-L389 WeakPolarHBondContact O-CB 3.48Å; Q386-L389 PolarHBondContact O-N 3.44Å; Q386-L389 VanDerWaalsContact O-N 3.16Å; P387-L389 PolarHBondContact O-N 3.43Å |
| 390 | L | 81.9 | Confident | 85.3 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -15.7 | -176.4 | -60.1 | 179.7 | 0 | 0 | 0 | 113.3 | L366 L385 P387 D388 S392 L393 L398 T401 V412 | L366-L390 HydrophobicContact CD2-CD2 4.18Å; L385-L390 HydrophobicContact CD2-CD1 3.51Å; L385-L390 HydrophobicContact CD2-CG 4.03Å; P387-L390 PolarHBondContact O-N 3.2Å; D388-L390 VanDerWaalsContact C-N 3.26Å; D388-L390 PolarHBondContact O-N 2.62Å; L390-S392 PolarHBondContact O-N 3.42Å; L390-L393 HydrophobicContact CD2-CD1 4Å; L390-L393 PolarHBondContact O-N 2.91Å; L390-L393 VanDerWaalsContact O-N 3.09Å; L390-L398 HydrophobicContact CB-CD1 4.1Å; L390-L398 HydrophobicContact CD1-CD1 4.11Å; L390-L398 HydrophobicContact CD2-CD1 4.05Å; L390-L398 HydrophobicContact CG-CD1 4.32Å; L390-T401 HydrophobicContact CD2-CG2 4.43Å; L390-V412 HydrophobicContact CD1-CG1 3.9Å |
| 391 | S | 82.8 | Confident | 85.6 | Confident | 96 Ų | 96 | 53.8 Ų | 53.8 | 67% | 0.671 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.5 | -173.8 | 64.7 | 0 | 0 | 0 | 0 | 115 | P387 D388 | P387-S391 WeakPolarHBondContact O-CB 2.94Å; P387-S391 PolarHBondContact O-N 3.35Å; D388-S391 PolarHBondContact O-OG 2.72Å |
| 392 | S | 85.4 | Confident | 85.8 | Confident | 85 Ų | 85 | 53.9 Ų | 53.9 | 59% | 0.594 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -9.2 | 178.9 | 62.7 | 0 | 0 | 0 | 0 | 114.1 | L390 | L390-S392 PolarHBondContact O-N 3.42Š|
| 393 | L | 86.6 | Confident | 85.7 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 12% | 0.12 | 28% | 0.281 | C | S | . | . | trans | -92.5 | 136.9 | -175.2 | -57.8 | 175.7 | 0 | 0 | 0 | 110.9 | I359 V362 L390 E397 L398 T401 | I359-L393 HydrophobicContact CB-CD2 4.09Å; I359-L393 HydrophobicContact CG2-CD2 3.84Å; V362-L393 HydrophobicContact CB-CD2 4.14Å; V362-L393 HydrophobicContact CG1-CD1 3.98Å; V362-L393 HydrophobicContact CG1-CD2 3.97Å; V362-L393 HydrophobicContact CG1-CG 4.06Å; V362-L393 HydrophobicContact CG2-CD2 4.22Å; L390-L393 HydrophobicContact CD2-CD1 4Å; L390-L393 PolarHBondContact O-N 2.91Å; L390-L393 VanDerWaalsContact O-N 3.09Å; L393-E397 HydrophobicContact CB-CB 4.05Å; L393-E397 HydrophobicContact CD2-CB 3.99Å; L393-L398 HydrophobicContact CB-CB 4.17Å; L393-L398 HydrophobicContact CD1-CD1 4.21Å; L393-T401 HydrophobicContact CD1-CG2 4.31Å | ||
| 394 | G | 87.6 | Confident | 85.9 | Confident | 35 Ų | 35 | 46.7 Ų | 46.7 | 36% | 0.361 | 27% | 0.27 | S | S | . | . | trans | -73.4 | 176.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E396 E397 L398 | G394-E396 PolarHBondContact O-N 3.24Å; G394-E397 VanDerWaalsContact CA-OE2 3.24Å; G394-E397 WeakPolarHBondContact CA-OE2 3.04Å; G394-E397 PolarHBondContact N-OE2 3.2Å; G394-E397 PolarHBondContact O-N 3.34Å; G394-L398 WeakPolarHBondContact O-CB 3.48Å; G394-L398 PolarHBondContact O-N 2.98Å | ||
| 395 | E | 85.7 | Confident | 86 | Confident | 116 Ų | 116 | 41.9 Ų | 41.9 | 54% | 0.542 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.1 | -40 | -175.9 | -170.5 | 66.8 | -157.3 | 0 | 0 | 112.5 | T399 R414 | E395-T399 WeakPolarHBondContact O-CB 3.4Å; E395-T399 PolarHBondContact O-N 3.07Å; E395-T399 PolarHBondContact O-OG1 3.3Å; E395-R414 IonicContact OE1-CZ 2.75Å; E395-R414 IonicContact OE1-NH1 2.88Å; E395-R414 PolarHBondContact OE1-NH1 3.25Å; E395-R414 IonicContact OE1-NH2 2.71Å |
| 396 | E | 86.5 | Confident | 85.9 | Confident | 93 Ų | 93 | 42.2 Ų | 42.2 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.1 | -46.3 | 177.8 | -170.7 | -169.9 | 160.3 | 0 | 0 | 110.9 | K357 G394 L398 T399 L400 | K357-E396 VanDerWaalsContact CE-CD 3.48Å; K357-E396 WeakPolarHBondContact CE-OE1 3.29Å; K357-E396 VanDerWaalsContact CE-OE2 3.3Å; K357-E396 WeakPolarHBondContact CE-OE2 3.39Å; K357-E396 VanDerWaalsContact NZ-CD 3.33Å; K357-E396 IonicContact NZ-OE1 3.85Å; K357-E396 PolarHBondContact NZ-OE1 3.35Å; K357-E396 IonicContact NZ-OE2 3.69Å; K357-E396 PolarHBondContact NZ-OE2 3.17Å; G394-E396 PolarHBondContact O-N 3.24Å; E396-L398 VanDerWaalsContact C-N 3.34Å; E396-L398 PolarHBondContact O-N 3.49Å; E396-T399 PolarHBondContact O-N 3.23Å; E396-L400 WeakPolarHBondContact O-CG 3.39Å; E396-L400 PolarHBondContact O-N 2.86Å |
| 397 | E | 88.8 | Confident | 86 | Confident | 47 Ų | 47 | 39.5 Ų | 39.5 | 22% | 0.22 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.4 | -36.9 | 179.5 | -66.2 | 82.6 | -176.7 | 0 | 0 | 112.9 | K357 I359 L393 G394 T401 | K357-E397 HydrophobicContact CB-CG 4.33Å; I359-E397 HydrophobicContact CD1-CB 3.94Å; I359-E397 HydrophobicContact CD1-CG 4.22Å; I359-E397 HydrophobicContact CG2-CB 3.98Å; I359-E397 HydrophobicContact CG2-CG 3.66Å; L393-E397 HydrophobicContact CB-CB 4.05Å; L393-E397 HydrophobicContact CD2-CB 3.99Å; G394-E397 VanDerWaalsContact CA-OE2 3.24Å; G394-E397 WeakPolarHBondContact CA-OE2 3.04Å; G394-E397 PolarHBondContact N-OE2 3.2Å; G394-E397 PolarHBondContact O-N 3.34Å; E397-T401 WeakPolarHBondContact O-CB 3.45Å; E397-T401 PolarHBondContact O-N 3.47Å; E397-T401 PolarHBondContact O-OG1 2.91Å |
| 398 | L | 88.4 | Confident | 86.4 | Confident | 25 Ų | 25 | 35.4 Ų | 35.4 | 13% | 0.131 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.2 | -47.7 | 174.1 | -176.8 | 63.9 | 0 | 0 | 0 | 110.2 | L390 L393 G394 E396 L400 T401 E402 | L390-L398 HydrophobicContact CB-CD1 4.1Å; L390-L398 HydrophobicContact CD1-CD1 4.11Å; L390-L398 HydrophobicContact CD2-CD1 4.05Å; L390-L398 HydrophobicContact CG-CD1 4.32Å; L393-L398 HydrophobicContact CB-CB 4.17Å; L393-L398 HydrophobicContact CD1-CD1 4.21Å; G394-L398 WeakPolarHBondContact O-CB 3.48Å; G394-L398 PolarHBondContact O-N 2.98Å; E396-L398 VanDerWaalsContact C-N 3.34Å; E396-L398 PolarHBondContact O-N 3.49Å; L398-L400 VanDerWaalsContact C-N 3.31Å; L398-L400 PolarHBondContact O-N 2.99Å; L398-T401 WeakPolarHBondContact O-CB 3.36Å; L398-T401 PolarHBondContact O-N 2.78Å; L398-E402 HydrophobicContact CG-CG 4.44Å; L398-E402 WeakPolarHBondContact O-CG 3.33Å; L398-E402 PolarHBondContact O-N 3.31Å |
| 399 | T | 87.6 | Confident | 86.4 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 177.7 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | L183 L184 E395 E396 T401 A403 | L183-T399 HydrophobicContact CB-CG2 4.09Å; L183-T399 HydrophobicContact CD1-CG2 4.3Å; L184-T399 HydrophobicContact CD1-CG2 4.22Å; L184-T399 HydrophobicContact CD2-CG2 4.13Å; L184-T399 HydrophobicContact CG-CG2 3.88Å; E395-T399 WeakPolarHBondContact O-CB 3.4Å; E395-T399 PolarHBondContact O-N 3.07Å; E395-T399 PolarHBondContact O-OG1 3.3Å; E396-T399 PolarHBondContact O-N 3.23Å; T399-T401 VanDerWaalsContact C-N 3.34Å; T399-A403 WeakPolarHBondContact O-CB 3.47Å; T399-A403 PolarHBondContact O-N 2.73Å |
| 400 | L | 88.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 173.2 | -74.6 | 169.5 | 0 | 0 | 0 | 111.5 | L184 I350 K353 K357 I359 E396 L398 L404 | L184-L400 HydrophobicContact CD1-CD2 3.9Å; L184-L400 HydrophobicContact CD2-CD2 3.56Å; L184-L400 HydrophobicContact CD2-CG 3.86Å; L184-L400 HydrophobicContact CG-CD2 4.36Å; I350-L400 HydrophobicContact CG1-CD2 4.49Å; I350-L400 HydrophobicContact CG2-CB 4.31Å; I350-L400 HydrophobicContact CG2-CD2 4Å; I350-L400 WeakPolarHBondContact CG2-O 3.23Å; K353-L400 HydrophobicContact CB-CD1 4.2Å; K353-L400 HydrophobicContact CB-CD2 4Å; K353-L400 HydrophobicContact CD-CD2 3.88Å; K357-L400 HydrophobicContact CG-CD1 4.3Å; I359-L400 HydrophobicContact CD1-CB 4.22Å; I359-L400 HydrophobicContact CD1-CD1 4.27Å; E396-L400 WeakPolarHBondContact O-CG 3.39Å; E396-L400 PolarHBondContact O-N 2.86Å; L398-L400 VanDerWaalsContact C-N 3.31Å; L398-L400 PolarHBondContact O-N 2.99Å; L400-L404 VanDerWaalsContact O-CB 3.3Å; L400-L404 WeakPolarHBondContact O-CB 3.5Å; L400-L404 PolarHBondContact O-N 3.2Å |
| 401 | T | 90.3 | Very high | 86.8 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.9 | -46.2 | -178.8 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | Q363 L366 L390 L393 E397 L398 T399 A403 L404 V405 | Q363-T401 HydrophobicContact CG-CG2 3.93Å; Q363-T401 WeakPolarHBondContact CG-OG1 3.27Å; Q363-T401 PolarHBondContact NE2-OG1 3.42Å; L366-T401 HydrophobicContact CD2-CG2 3.75Å; L390-T401 HydrophobicContact CD2-CG2 4.43Å; L393-T401 HydrophobicContact CD1-CG2 4.31Å; E397-T401 WeakPolarHBondContact O-CB 3.45Å; E397-T401 PolarHBondContact O-N 3.47Å; E397-T401 PolarHBondContact O-OG1 2.91Å; L398-T401 WeakPolarHBondContact O-CB 3.36Å; L398-T401 PolarHBondContact O-N 2.78Å; T399-T401 VanDerWaalsContact C-N 3.34Å; T401-A403 PolarHBondContact O-N 3.46Å; T401-L404 PolarHBondContact O-N 2.8Å; T401-V405 WeakPolarHBondContact O-CG2 3.19Å; T401-V405 PolarHBondContact O-N 2.79Å; T401-V405 VanDerWaalsContact O-N 3.11Å |
| 402 | E | 87.2 | Confident | 86.9 | Confident | 18 Ų | 18 | 28.5 Ų | 28.5 | 8% | 0.084 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.1 | -48.5 | 174.6 | -71.7 | 174.1 | 161.8 | 0 | 0 | 111.1 | L398 L404 G406 R414 | L398-E402 HydrophobicContact CG-CG 4.44Å; L398-E402 WeakPolarHBondContact O-CG 3.33Å; L398-E402 PolarHBondContact O-N 3.31Å; E402-L404 PolarHBondContact O-N 3.08Å; E402-G406 WeakPolarHBondContact O-CA 3.29Å; E402-G406 PolarHBondContact O-N 3.48Å; E402-R414 IonicContact OE1-CZ 2.76Å; E402-R414 IonicContact OE1-NE 3.76Å; E402-R414 PolarHBondContact OE1-NE 3.23Å; E402-R414 IonicContact OE1-NH2 3.94Å; E402-R414 PolarHBondContact OE1-NH2 3.42Å; E402-R414 IonicContact OE2-CZ 3.75Å; E402-R414 IonicContact OE2-NH2 2.75Å; E402-R414 PolarHBondContact OE2-NH2 3.45Å |
| 403 | A | 86 | Confident | 86.6 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L181 L184 I350 T399 T401 L407 | L181-A403 HydrophobicContact CD2-CB 3.92Å; L181-A403 HydrophobicContact CG-CB 4.46Å; L184-A403 HydrophobicContact CD1-CB 3.81Å; I350-A403 HydrophobicContact CD1-CB 3.8Å; T399-A403 WeakPolarHBondContact O-CB 3.47Å; T399-A403 PolarHBondContact O-N 2.73Å; T401-A403 PolarHBondContact O-N 3.46Å; A403-L407 WeakPolarHBondContact O-CB 3.43Å; A403-L407 VanDerWaalsContact O-CG 3.28Å; A403-L407 WeakPolarHBondContact O-CG 3.49Å; A403-L407 PolarHBondContact O-N 2.86Å; A403-L407 VanDerWaalsContact O-N 3.14Å |
| 404 | L | 90.9 | Very high | 86 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.4 | -52.2 | -178.7 | -177.4 | 64.3 | 0 | 0 | 0 | 111.9 | Q347 I350 L351 Q363 L400 T401 E402 L432 L436 | Q347-L404 HydrophobicContact CB-CD1 4.14Å; Q347-L404 HydrophobicContact CG-CD1 4.19Å; Q347-L404 PolarHBondContact NE2-O 2.98Å; I350-L404 HydrophobicContact CB-CD1 4.35Å; I350-L404 HydrophobicContact CG2-CB 3.85Å; I350-L404 HydrophobicContact CG2-CD1 4.07Å; I350-L404 HydrophobicContact CG2-CG 4.41Å; L351-L404 HydrophobicContact CD2-CD1 3.9Å; L351-L404 HydrophobicContact CD2-CD2 3.85Å; L351-L404 HydrophobicContact CG-CD1 3.97Å; Q363-L404 HydrophobicContact CB-CD2 4.41Å; Q363-L404 HydrophobicContact CG-CD2 4.29Å; L400-L404 VanDerWaalsContact O-CB 3.3Å; L400-L404 WeakPolarHBondContact O-CB 3.5Å; L400-L404 PolarHBondContact O-N 3.2Å; T401-L404 PolarHBondContact O-N 2.8Å; E402-L404 PolarHBondContact O-N 3.08Å; L404-L432 HydrophobicContact CD1-CD1 3.86Å; L404-L432 HydrophobicContact CD2-CD1 4.22Å; L404-L432 HydrophobicContact CG-CD1 3.98Å; L404-L432 HydrophobicContact CG-CD2 4.17Å; L404-L436 HydrophobicContact CD2-CD2 4.3Å |
| 405 | V | 89.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -77.1 | -32.7 | -176.9 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | L366 V367 T401 L407 S408 G409 L410 V412 L432 | L366-V405 HydrophobicContact CD2-CG1 4.15Å; L366-V405 HydrophobicContact CD2-CG2 4.47Å; V367-V405 HydrophobicContact CG2-CG1 3.81Å; T401-V405 WeakPolarHBondContact O-CG2 3.19Å; T401-V405 PolarHBondContact O-N 2.79Å; T401-V405 VanDerWaalsContact O-N 3.11Å; V405-L407 VanDerWaalsContact C-N 3.34Å; V405-L407 PolarHBondContact O-N 3.36Å; V405-S408 CarbonylContact O-C 3.47Å; V405-S408 WeakPolarHBondContact O-CA 3.18Å; V405-S408 WeakPolarHBondContact O-CB 3.22Å; V405-S408 PolarHBondContact O-N 3.32Å; V405-G409 PolarHBondContact O-N 3.47Å; V405-L410 CarbonylContact C-O 3.55Å; V405-L410 HydrophobicContact CB-CB 4.18Å; V405-L410 HydrophobicContact CB-CD2 4.08Å; V405-L410 HydrophobicContact CG2-CB 4.47Å; V405-L410 HydrophobicContact CG2-CD2 4.25Å; V405-L410 PolarHBondContact O-N 3.48Å; V405-V412 HydrophobicContact CG2-CG2 3.73Å; V405-L432 HydrophobicContact CG1-CD2 4.22Å |
| 406 | G | 85.3 | Confident | 84.3 | Confident | 16 Ų | 16 | 32.6 Ų | 32.6 | 17% | 0.165 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.8 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E402 S408 G409 L410 | E402-G406 WeakPolarHBondContact O-CA 3.29Å; E402-G406 PolarHBondContact O-N 3.48Å; G406-S408 PolarHBondContact O-N 3.17Å; G406-G409 PolarHBondContact O-N 2.98Å; G406-L410 VanDerWaalsContact CA-O 3.27Å; G406-L410 WeakPolarHBondContact CA-O 3.43Å; G406-L410 PolarHBondContact N-O 2.9Å |
| 407 | L | 85.2 | Confident | 83.8 | Confident | 43 Ų | 43 | 29.8 Ų | 29.8 | 23% | 0.225 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -15.4 | 173.2 | -74.9 | 173.6 | 0 | 0 | 0 | 113.6 | L181 E346 Q347 I350 A403 V405 | L181-L407 HydrophobicContact CD1-CD2 4.2Å; L181-L407 HydrophobicContact CD2-CD1 4.12Å; E346-L407 HydrophobicContact CB-CD1 3.77Å; Q347-L407 VanDerWaalsContact CD-CB 3.45Å; Q347-L407 HydrophobicContact CG-CB 3.44Å; Q347-L407 VanDerWaalsContact CG-CB 3.44Å; Q347-L407 HydrophobicContact CG-CD1 3.64Å; Q347-L407 HydrophobicContact CG-CG 4.19Å; Q347-L407 VanDerWaalsContact NE2-C 3.29Å; I350-L407 HydrophobicContact CD1-CD1 4.16Å; A403-L407 WeakPolarHBondContact O-CB 3.43Å; A403-L407 VanDerWaalsContact O-CG 3.28Å; A403-L407 WeakPolarHBondContact O-CG 3.49Å; A403-L407 PolarHBondContact O-N 2.86Å; A403-L407 VanDerWaalsContact O-N 3.14Å; V405-L407 VanDerWaalsContact C-N 3.34Å; V405-L407 PolarHBondContact O-N 3.36Å |
| 408 | S | 86.8 | Confident | 83.7 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 11 | 168.6 | -76.4 | 0 | 0 | 0 | 0 | 112.8 | Q347 V405 G406 T425 N428 | Q347-S408 PolarHBondContact NE2-OG 2.83Å; V405-S408 CarbonylContact O-C 3.47Å; V405-S408 WeakPolarHBondContact O-CA 3.18Å; V405-S408 WeakPolarHBondContact O-CB 3.22Å; V405-S408 PolarHBondContact O-N 3.32Å; G406-S408 PolarHBondContact O-N 3.17Å; S408-T425 PolarHBondContact O-OG1 3.07Å; S408-N428 PolarHBondContact OG-O 2.92Å |
| 409 | G | 82.6 | Confident | 83.6 | Confident | 24 Ų | 24 | 30.3 Ų | 30.3 | 25% | 0.247 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 7.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V405 G406 | V405-G409 PolarHBondContact O-N 3.47Å; G406-G409 PolarHBondContact O-N 2.98Å |
| 410 | L | 86.9 | Confident | 83.6 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | trans | -95.9 | 101.5 | 173.5 | -175.3 | 74.4 | 0 | 0 | 0 | 109.6 | T370 V405 G406 V412 Y419 W421 L429 | T370-L410 HydrophobicContact CG2-CD2 4.08Å; V405-L410 CarbonylContact C-O 3.55Å; V405-L410 HydrophobicContact CB-CB 4.18Å; V405-L410 HydrophobicContact CB-CD2 4.08Å; V405-L410 HydrophobicContact CG2-CB 4.47Å; V405-L410 HydrophobicContact CG2-CD2 4.25Å; V405-L410 PolarHBondContact O-N 3.48Å; G406-L410 VanDerWaalsContact CA-O 3.27Å; G406-L410 WeakPolarHBondContact CA-O 3.43Å; G406-L410 PolarHBondContact N-O 2.9Å; L410-V412 HydrophobicContact CG-CG2 4.46Å; L410-Y419 HydrophobicContact CD1-CD2 3.66Å; L410-Y419 HydrophobicContact CD1-CE2 4.44Å; L410-Y419 HydrophobicContact CD1-CG 4.3Å; L410-W421 HydrophobicContact CD1-CE3 4.37Å; L410-L429 HydrophobicContact CB-CD1 4.07Å; L410-L429 HydrophobicContact CD2-CD1 4.4Å | ||
| 411 | E | 83.3 | Confident | 83.6 | Confident | 42 Ų | 42 | 31.6 Ų | 31.6 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 130.1 | 177.7 | -169.2 | -175.3 | 167.1 | 0 | 0 | 110.4 | I175 Y419 A420 | I175-E411 WeakPolarHBondContact CG2-OE1 3.49Å; I175-E411 WeakPolarHBondContact CG2-OE2 3.49Å; E411-Y419 CarbonylContact O-C 3.48Å; E411-Y419 WeakPolarHBondContact O-CA 3.4Å; E411-Y419 VanDerWaalsContact O-CB 3.3Å; E411-Y419 WeakPolarHBondContact O-CB 3.42Å; E411-A420 HydrophobicContact CB-CB 4.06Å; E411-A420 PolarHBondContact O-N 2.89Å |
| 412 | V | 85.3 | Confident | 83.4 | Confident | 20 Ų | 20 | 33 Ų | 33 | 12% | 0.121 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | L385 L390 V405 L410 | L385-V412 HydrophobicContact CD2-CG1 3.96Å; L390-V412 HydrophobicContact CD1-CG1 3.9Å; V405-V412 HydrophobicContact CG2-CG2 3.73Å; L410-V412 HydrophobicContact CG-CG2 4.46Å |
| 413 | Q | 80 | Confident | 83.2 | Confident | 93 Ų | 93 | 32.6 Ų | 32.6 | 44% | 0.435 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128 | 177.3 | -169 | 172.6 | 15.8 | 0 | 0 | 110.7 | P417 Q418 | Q413-P417 WeakPolarHBondContact O-CA 3.23Å; Q413-Q418 HydrophobicContact CB-CB 4.47Å; Q413-Q418 PolarHBondContact N-O 3.45Å; Q413-Q418 PolarHBondContact O-N 3.17Å |
| 414 | R | 73.5 | Confident | 83 | Confident | 118 Ų | 118 | 33.6 Ų | 33.6 | 45% | 0.445 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -31.2 | -175.7 | 59.7 | -179.8 | 66 | -170 | -0.7 | 115.2 | E395 E402 G416 | E395-R414 IonicContact OE1-CZ 2.75Å; E395-R414 IonicContact OE1-NH1 2.88Å; E395-R414 PolarHBondContact OE1-NH1 3.25Å; E395-R414 IonicContact OE1-NH2 2.71Å; E402-R414 IonicContact OE1-CZ 2.76Å; E402-R414 IonicContact OE1-NE 3.76Å; E402-R414 PolarHBondContact OE1-NE 3.23Å; E402-R414 IonicContact OE1-NH2 3.94Å; E402-R414 PolarHBondContact OE1-NH2 3.42Å; E402-R414 IonicContact OE2-CZ 3.75Å; E402-R414 IonicContact OE2-NH2 2.75Å; E402-R414 PolarHBondContact OE2-NH2 3.45Å; R414-G416 PolarHBondContact O-N 3.04Å |
| 415 | S | 69.5 | Low | 82.7 | Confident | 80 Ų | 80 | 34.7 Ų | 34.7 | 56% | 0.559 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 104.4 | -175.5 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 416 | G | 68.8 | Low | 82.7 | Confident | 54 Ų | 54 | 36 Ų | 36 | 56% | 0.557 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 78.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | R414 Q418 | R414-G416 PolarHBondContact O-N 3.04Å; G416-Q418 VanDerWaalsContact O-CG 3.3Å; G416-Q418 WeakPolarHBondContact O-CG 3.37Å; G416-Q418 PolarHBondContact O-N 2.94Å |
| 417 | P | 75.3 | Confident | 82.8 | Confident | 35 Ų | 35 | 35.7 Ų | 35.7 | 23% | 0.227 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 118.1 | -157.2 | 24.6 | -35.9 | 0 | 0 | 0 | 109.9 | L385 P387 Q413 | L385-P417 HydrophobicContact CB-CB 4.04Å; L385-P417 WeakPolarHBondContact CB-O 3.13Å; L385-P417 PolarHBondContact N-O 3.12Å; P387-P417 HydrophobicContact CB-CG 4.06Å; P387-P417 HydrophobicContact CG-CG 3.79Å; Q413-P417 WeakPolarHBondContact O-CA 3.23Å |
| 418 | Q | 86.2 | Confident | 83 | Confident | 77 Ų | 77 | 35.1 Ų | 35.1 | 36% | 0.36 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 154.3 | -175.6 | -84.7 | 174.2 | -11.4 | 0 | 0 | 108.8 | V382 F383 Q413 G416 | V382-Q418 HydrophobicContact CG1-CB 4.28Å; V382-Q418 HydrophobicContact CG1-CG 4.38Å; F383-Q418 CarbonylContact O-C 3.53Å; F383-Q418 VanDerWaalsContact O-CA 3.23Å; F383-Q418 WeakPolarHBondContact O-CA 3.41Å; Q413-Q418 HydrophobicContact CB-CB 4.47Å; Q413-Q418 PolarHBondContact N-O 3.45Å; Q413-Q418 PolarHBondContact O-N 3.17Å; G416-Q418 VanDerWaalsContact O-CG 3.3Å; G416-Q418 WeakPolarHBondContact O-CG 3.37Å; G416-Q418 PolarHBondContact O-N 2.94Å |
| 419 | Y | 87.6 | Confident | 83.3 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.02 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 146.1 | 169.5 | 67.1 | -85.4 | 0 | 0 | 0 | 111.9 | T370 Q373 N374 V382 F383 L385 L410 E411 | T370-Y419 HydrophobicContact CG2-CD1 4.33Å; T370-Y419 HydrophobicContact CG2-CD2 4.22Å; T370-Y419 HydrophobicContact CG2-CE1 4.13Å; T370-Y419 HydrophobicContact CG2-CE2 4.01Å; T370-Y419 HydrophobicContact CG2-CG 4.36Å; Q373-Y419 PolarHBondContact OE1-OH 2.84Å; Q373-Y419 VanDerWaalsContact OE1-OH 3.06Å; N374-Y419 PolarHBondContact OD1-OH 3.04Å; V382-Y419 WeakPolarHBondContact CA-O 3.5Å; F383-Y419 HydrophobicContact CB-CD1 4.17Å; F383-Y419 HydrophobicContact CB-CD2 4.42Å; F383-Y419 HydrophobicContact CB-CE1 3.62Å; F383-Y419 HydrophobicContact CB-CE2 3.89Å; F383-Y419 VanDerWaalsContact CB-CZ 3.46Å; F383-Y419 HydrophobicContact CD2-CD2 4.5Å; F383-Y419 AromaticContact CD2-CE2 3.89Å; F383-Y419 HydrophobicContact CD2-CE2 3.89Å; F383-Y419 HydrophobicContact CG-CE2 4.23Å; F383-Y419 PolarHBondContact N-O 3.33Å; F383-Y419 PolarHBondContact O-N 3.05Å; L385-Y419 HydrophobicContact CB-CD1 3.89Å; L385-Y419 HydrophobicContact CB-CE1 4.5Å; L385-Y419 HydrophobicContact CD1-CD1 3.72Å; L385-Y419 HydrophobicContact CD1-CE1 4.03Å; L385-Y419 HydrophobicContact CG-CD1 4.36Å; L410-Y419 HydrophobicContact CD1-CD2 3.66Å; L410-Y419 HydrophobicContact CD1-CE2 4.44Å; L410-Y419 HydrophobicContact CD1-CG 4.3Å; E411-Y419 CarbonylContact O-C 3.48Å; E411-Y419 WeakPolarHBondContact O-CA 3.4Å; E411-Y419 VanDerWaalsContact O-CB 3.3Å; E411-Y419 WeakPolarHBondContact O-CB 3.42Å |
| 420 | A | 87.5 | Confident | 83.8 | Confident | 28 Ų | 28 | 34.1 Ų | 34.1 | 23% | 0.231 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 123.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | G381 E411 | G381-A420 WeakPolarHBondContact O-CA 3.32Å; E411-A420 HydrophobicContact CB-CB 4.06Å; E411-A420 PolarHBondContact O-N 2.89Å |
| 421 | W | 88.4 | Confident | 84.2 | Confident | 6 Ų | 6 | 34 Ų | 34 | 2% | 0.023 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 128.1 | 174.5 | 176.5 | -105.1 | 0 | 0 | 0 | 110.2 | L371 N374 E380 G381 F383 L410 R426 L429 | L371-W421 HydrophobicContact CD2-CH2 3.98Å; L371-W421 HydrophobicContact CD2-CZ3 4.33Å; N374-W421 HydrophobicContact CB-CD2 3.4Å; N374-W421 HydrophobicContact CB-CE3 3.71Å; N374-W421 HydrophobicContact CB-CG 3.75Å; N374-W421 HydrophobicContact CB-CH2 4.26Å; N374-W421 HydrophobicContact CB-CZ2 3.99Å; N374-W421 HydrophobicContact CB-CZ3 4.12Å; N374-W421 WeakPolarHBondContact O-CZ2 3.46Å; E380-W421 WeakPolarHBondContact CA-O 3.34Å; E380-W421 WeakPolarHBondContact CB-O 3.45Å; G381-W421 PolarHBondContact N-O 3.01Å; G381-W421 PolarHBondContact O-N 2.81Å; F383-W421 HydrophobicContact CD2-CB 4.08Å; F383-W421 HydrophobicContact CE2-CB 3.86Å; L410-W421 HydrophobicContact CD1-CE3 4.37Å; W421-R426 HydrophobicContact CH2-CB 4.36Å; W421-R426 HydrophobicContact CH2-CG 4.04Å; W421-R426 HydrophobicContact CZ2-CB 4.29Å; W421-R426 HydrophobicContact CZ2-CG 4.13Å; W421-L429 HydrophobicContact CH2-CD2 4.34Å; W421-L429 HydrophobicContact CZ3-CD2 3.63Å |
| 422 | D | 86.7 | Confident | 84.8 | Confident | 30 Ų | 30 | 32 Ų | 32 | 16% | 0.16 | 18% | 0.181 | C | C | . | . | trans | -118.7 | 115.3 | 169.4 | -176.1 | -5.6 | 0 | 0 | 0 | 109.4 | D424 T425 | D422-D424 PolarHBondContact O-N 3.35Å; D422-D424 WeakPolarHBondContact OD1-CB 3.34Å; D422-D424 PolarHBondContact OD1-N 3.46Å; D422-T425 PolarHBondContact O-N 3.46Å; D422-T425 PolarHBondContact O-OG1 3.25Å | ||
| 423 | P | 83.1 | Confident | 85.4 | Confident | 10 Ų | 10 | 31.8 Ų | 31.8 | 7% | 0.065 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -66.8 | -22 | 178.4 | 29 | -36.1 | 0 | 0 | 0 | 113.4 | T425 R426 | P423-T425 VanDerWaalsContact C-N 3.35Å; P423-R426 VanDerWaalsContact O-CB 3.26Å; P423-R426 WeakPolarHBondContact O-CB 3.42Å; P423-R426 PolarHBondContact O-N 3.18Å |
| 424 | D | 81 | Confident | 86.1 | Confident | 22 Ų | 22 | 27.3 Ų | 27.3 | 12% | 0.118 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -32.9 | -178.4 | -63.8 | -25.3 | 0 | 0 | 0 | 111.2 | R13 P96 D422 H427 | R13-D424 IonicContact CZ-OD1 3.1Å; R13-D424 IonicContact NH1-OD1 2.72Å; R13-D424 PolarHBondContact NH1-OD1 3.4Å; R13-D424 IonicContact NH2-OD1 2.77Å; P96-D424 VanDerWaalsContact CA-OD2 3.27Å; P96-D424 WeakPolarHBondContact CA-OD2 3.03Å; P96-D424 HydrophobicContact CB-CB 4.18Å; P96-D424 WeakPolarHBondContact CB-OD2 3.37Å; P96-D424 HydrophobicContact CG-CB 4.33Å; D422-D424 PolarHBondContact O-N 3.35Å; D422-D424 WeakPolarHBondContact OD1-CB 3.34Å; D422-D424 PolarHBondContact OD1-N 3.46Å; D424-H427 PolarHBondContact O-CE1 2.71Å; D424-H427 PolarHBondContact O-ND1 2.97Å |
| 425 | T | 84 | Confident | 87.1 | Confident | 22 Ų | 22 | 21.7 Ų | 21.7 | 14% | 0.135 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 6.3 | 178.3 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | S408 D422 P423 H427 N428 L429 | S408-T425 PolarHBondContact O-OG1 3.07Å; D422-T425 PolarHBondContact O-N 3.46Å; D422-T425 PolarHBondContact O-OG1 3.25Å; P423-T425 VanDerWaalsContact C-N 3.35Å; T425-H427 PolarHBondContact O-N 2.72Å; T425-H427 VanDerWaalsContact O-N 3.1Å; T425-N428 PolarHBondContact O-N 2.93Å; T425-N428 PolarHBondContact O-OD1 3.05Å; T425-L429 PolarHBondContact O-N 2.75Å |
| 426 | R | 89.6 | Confident | 88.4 | Confident | 28 Ų | 28 | 17.9 Ų | 17.9 | 11% | 0.106 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -51.1 | -38.6 | -179.9 | -177.9 | -179.9 | 71.7 | 177 | 2.2 | 112.5 | E256 F375 W421 P423 N428 L429 C430 | E256-R426 IonicContact OE1-NH2 2.59Å; E256-R426 PolarHBondContact OE1-NH2 2.87Å; E256-R426 IonicContact OE2-NH2 2.93Å; E256-R426 PolarHBondContact OE2-NH2 2.88Å; F375-R426 HydrophobicContact CE2-CG 4.5Å; F375-R426 PolarHBondContact O-NH1 3.04Å; W421-R426 HydrophobicContact CH2-CB 4.36Å; W421-R426 HydrophobicContact CH2-CG 4.04Å; W421-R426 HydrophobicContact CZ2-CB 4.29Å; W421-R426 HydrophobicContact CZ2-CG 4.13Å; P423-R426 VanDerWaalsContact O-CB 3.26Å; P423-R426 WeakPolarHBondContact O-CB 3.42Å; P423-R426 PolarHBondContact O-N 3.18Å; R426-N428 PolarHBondContact O-N 3.29Å; R426-L429 WeakPolarHBondContact O-CB 3.46Å; R426-L429 PolarHBondContact O-N 3.15Å; R426-L429 VanDerWaalsContact O-N 3.16Å; R426-C430 PolarHBondContact O-N 2.98Å; R426-C430 PolarHBondContact O-SG 3.5Å |
| 427 | H | 87.4 | Confident | 89.7 | Confident | 10 Ų | 10 | 16 Ų | 16 | 5% | 0.046 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | -178.5 | 64.3 | -78.3 | 0 | 0 | 0 | 112.8 | E5 D6 R9 F48 D424 T425 L429 C430 A431 | E5-H427 IonicContact OE1-CD2 3.77Å; D6-H427 IonicContact OD1-CE1 3.41Å; D6-H427 PolarHBondContact OD1-CE1 3.36Å; D6-H427 IonicContact OD1-NE2 2.64Å; R9-H427 VanDerWaalsContact CD-CG 3.43Å; F48-H427 VanDerWaalsContact O-CA 3.24Å; F48-H427 WeakPolarHBondContact O-CA 3.41Å; F48-H427 WeakPolarHBondContact O-CB 3.42Å; D424-H427 PolarHBondContact O-CE1 2.71Å; D424-H427 PolarHBondContact O-ND1 2.97Å; T425-H427 PolarHBondContact O-N 2.72Å; T425-H427 VanDerWaalsContact O-N 3.1Å; H427-L429 VanDerWaalsContact C-N 3.27Å; H427-L429 PolarHBondContact O-N 3.41Å; H427-C430 PolarHBondContact O-N 2.94Å; H427-A431 PolarHBondContact O-N 3.45Å |
| 428 | N | 89.4 | Confident | 90.6 | Very high | 31 Ų | 31 | 14.5 Ų | 14.5 | 17% | 0.166 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.1 | -33.8 | 174.3 | -47.7 | 84.6 | 0 | 0 | 0 | 111.6 | S408 T425 R426 L432 | S408-N428 PolarHBondContact OG-O 2.92Å; T425-N428 PolarHBondContact O-N 2.93Å; T425-N428 PolarHBondContact O-OD1 3.05Å; R426-N428 PolarHBondContact O-N 3.29Å; N428-L432 WeakPolarHBondContact O-CB 3.3Å; N428-L432 PolarHBondContact O-N 3.13Å |
| 429 | L | 93 | Very high | 91 | Very high | 3 Ų | 3 | 10.8 Ų | 10.8 | 2% | 0.016 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -74.8 | -37 | 178.7 | -158.2 | 68.9 | 0 | 0 | 0 | 111.8 | V367 L371 L410 W421 T425 R426 H427 L432 Y433 | V367-L429 HydrophobicContact CG1-CD1 4.13Å; V367-L429 HydrophobicContact CG1-CG 4.01Å; V367-L429 HydrophobicContact CG2-CD1 4.38Å; L371-L429 HydrophobicContact CD1-CG 4.47Å; L371-L429 HydrophobicContact CD2-CB 4.17Å; L371-L429 HydrophobicContact CD2-CD2 3.74Å; L371-L429 HydrophobicContact CD2-CG 4.08Å; L371-L429 HydrophobicContact CG-CD2 3.89Å; L371-L429 HydrophobicContact CG-CG 4.15Å; L410-L429 HydrophobicContact CB-CD1 4.07Å; L410-L429 HydrophobicContact CD2-CD1 4.4Å; W421-L429 HydrophobicContact CH2-CD2 4.34Å; W421-L429 HydrophobicContact CZ3-CD2 3.63Å; T425-L429 PolarHBondContact O-N 2.75Å; R426-L429 WeakPolarHBondContact O-CB 3.46Å; R426-L429 PolarHBondContact O-N 3.15Å; R426-L429 VanDerWaalsContact O-N 3.16Å; H427-L429 VanDerWaalsContact C-N 3.27Å; H427-L429 PolarHBondContact O-N 3.41Å; L429-L432 HydrophobicContact CD1-CD2 4.27Å; L429-L432 PolarHBondContact O-N 3.39Å; L429-Y433 PolarHBondContact O-N 3.07Å |
| 430 | C | 93.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.007 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 170.9 | -65.9 | 0 | 0 | 0 | 0 | 112.1 | F48 W49 L261 R426 H427 L432 Y433 A434 | F48-C430 HydrophobicContact CB-CB 3.88Å; W49-C430 HydrophobicContact CE3-CB 3.69Å; W49-C430 HydrophobicContact CZ3-CB 3.95Å; L261-C430 HydrophobicContact CD1-CB 4.45Å; L261-C430 HydrophobicContact CD2-CB 4.01Å; R426-C430 PolarHBondContact O-N 2.98Å; R426-C430 PolarHBondContact O-SG 3.5Å; H427-C430 PolarHBondContact O-N 2.94Å; C430-L432 VanDerWaalsContact C-N 3.34Å; C430-L432 PolarHBondContact O-N 2.94Å; C430-Y433 WeakPolarHBondContact O-CB 3.48Å; C430-Y433 PolarHBondContact O-N 2.92Å; C430-A434 PolarHBondContact O-N 2.95Å |
| 431 | A | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | W49 E342 L343 H427 A434 G435 | W49-A431 HydrophobicContact CB-CB 4.23Å; W49-A431 HydrophobicContact CD2-CB 4.01Å; W49-A431 HydrophobicContact CE3-CB 4.28Å; W49-A431 HydrophobicContact CG-CB 3.98Å; E342-A431 HydrophobicContact CB-CB 3.83Å; E342-A431 HydrophobicContact CG-CB 4.22Å; L343-A431 HydrophobicContact CD2-CB 4.44Å; H427-A431 PolarHBondContact O-N 3.45Å; A431-A434 PolarHBondContact O-N 3.14Å; A431-G435 PolarHBondContact O-N 3.02Å |
| 432 | L | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 174.7 | -179.1 | 62 | 0 | 0 | 0 | 111.9 | L343 L351 V367 L404 V405 N428 L429 C430 A434 G435 L436 | L343-L432 HydrophobicContact CD1-CD1 4.13Å; L343-L432 HydrophobicContact CD2-CB 4.03Å; L343-L432 HydrophobicContact CD2-CD1 4.35Å; L351-L432 HydrophobicContact CD2-CD1 4.45Å; V367-L432 HydrophobicContact CG2-CD2 3.94Å; V367-L432 HydrophobicContact CG2-CG 4.4Å; L404-L432 HydrophobicContact CD1-CD1 3.86Å; L404-L432 HydrophobicContact CD2-CD1 4.22Å; L404-L432 HydrophobicContact CG-CD1 3.98Å; L404-L432 HydrophobicContact CG-CD2 4.17Å; V405-L432 HydrophobicContact CG1-CD2 4.22Å; N428-L432 WeakPolarHBondContact O-CB 3.3Å; N428-L432 PolarHBondContact O-N 3.13Å; L429-L432 HydrophobicContact CD1-CD2 4.27Å; L429-L432 PolarHBondContact O-N 3.39Å; C430-L432 VanDerWaalsContact C-N 3.34Å; C430-L432 PolarHBondContact O-N 2.94Å; L432-A434 PolarHBondContact O-N 3.17Å; L432-G435 PolarHBondContact O-N 2.78Å; L432-L436 HydrophobicContact CD1-CD1 4.04Å; L432-L436 HydrophobicContact CD1-CG 4.05Å; L432-L436 HydrophobicContact CD2-CD1 4.48Å; L432-L436 HydrophobicContact CG-CD1 3.85Å; L432-L436 HydrophobicContact CG-CG 4.32Å; L432-L436 WeakPolarHBondContact O-CB 3.45Å; L432-L436 VanDerWaalsContact O-CG 3.31Å; L432-L436 WeakPolarHBondContact O-CG 3.37Å; L432-L436 PolarHBondContact O-N 2.9Å |
| 433 | Y | 96.9 | Very high | 91.9 | Very high | 14 Ų | 14 | 13.2 Ų | 13.2 | 6% | 0.055 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.8 | -46.9 | 175.1 | 173.4 | -107 | 0 | 0 | 0 | 112 | L261 V265 L364 V367 E368 L371 L429 C430 S437 | L261-Y433 HydrophobicContact CD2-CD1 4.13Å; L261-Y433 HydrophobicContact CG-CD1 4.18Å; L261-Y433 HydrophobicContact CG-CE1 4.37Å; V265-Y433 HydrophobicContact CB-CE1 4.02Å; V265-Y433 HydrophobicContact CG1-CE1 4.11Å; V265-Y433 HydrophobicContact CG2-CD1 4.03Å; V265-Y433 HydrophobicContact CG2-CE1 3.9Å; L364-Y433 HydrophobicContact CD1-CD2 3.67Å; L364-Y433 HydrophobicContact CD1-CE2 3.73Å; V367-Y433 HydrophobicContact CG1-CD2 4.46Å; E368-Y433 HydrophobicContact CB-CD2 4.27Å; E368-Y433 HydrophobicContact CB-CE2 3.86Å; E368-Y433 HydrophobicContact CG-CE2 3.82Å; L371-Y433 HydrophobicContact CD1-CG 4.1Å; L429-Y433 PolarHBondContact O-N 3.07Å; C430-Y433 WeakPolarHBondContact O-CB 3.48Å; C430-Y433 PolarHBondContact O-N 2.92Å; Y433-S437 WeakPolarHBondContact O-CB 3.28Å; Y433-S437 PolarHBondContact O-N 2.84Å; Y433-S437 PolarHBondContact O-OG 3.34Å |
| 434 | A | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.6 | -44.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | W49 V265 Y335 F336 A339 C430 A431 L432 S437 L438 | W49-A434 HydrophobicContact CH2-CB 3.46Å; W49-A434 VanDerWaalsContact CH2-CB 3.46Å; W49-A434 HydrophobicContact CZ2-CB 3.99Å; W49-A434 HydrophobicContact CZ3-CB 4.16Å; V265-A434 HydrophobicContact CG2-CB 3.86Å; Y335-A434 HydrophobicContact CE1-CB 4.38Å; F336-A434 HydrophobicContact CD1-CB 4.43Å; F336-A434 WeakPolarHBondContact CD1-O 3.44Å; F336-A434 HydrophobicContact CE1-CB 4.45Å; F336-A434 WeakPolarHBondContact CE1-O 3.38Å; A339-A434 HydrophobicContact CB-CB 3.85Å; C430-A434 PolarHBondContact O-N 2.95Å; A431-A434 PolarHBondContact O-N 3.14Å; L432-A434 PolarHBondContact O-N 3.17Å; A434-S437 WeakPolarHBondContact O-CB 3.16Å; A434-S437 PolarHBondContact O-N 2.85Å; A434-L438 PolarHBondContact O-N 3.38Å; A434-L438 VanDerWaalsContact O-N 3.13Å |
| 435 | G | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A431 L432 S437 L438 L439 | A431-G435 PolarHBondContact O-N 3.02Å; L432-G435 PolarHBondContact O-N 2.78Å; G435-S437 VanDerWaalsContact C-N 3.33Å; G435-S437 PolarHBondContact O-N 3.13Å; G435-L438 PolarHBondContact O-N 2.83Å; G435-L439 WeakPolarHBondContact O-CG 3.36Å; G435-L439 PolarHBondContact O-N 3.22Å; G435-L439 VanDerWaalsContact O-N 3.11Å |
| 436 | L | 95.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.4 | -39.3 | 175.4 | -76.1 | 171 | 0 | 0 | 0 | 111.9 | L351 L360 Q363 L364 V367 L404 L432 L438 L439 H440 | L351-L436 HydrophobicContact CD2-CD2 3.56Å; L351-L436 HydrophobicContact CD2-CG 4.31Å; L360-L436 HydrophobicContact CD2-CD2 3.78Å; Q363-L436 HydrophobicContact CB-CD1 4.19Å; Q363-L436 HydrophobicContact CB-CD2 4.16Å; L364-L436 HydrophobicContact CB-CB 4.28Å; L364-L436 HydrophobicContact CD1-CB 3.88Å; V367-L436 HydrophobicContact CB-CD1 4.39Å; V367-L436 HydrophobicContact CG2-CD1 3.94Å; L404-L436 HydrophobicContact CD2-CD2 4.3Å; L432-L436 HydrophobicContact CD1-CD1 4.04Å; L432-L436 HydrophobicContact CD1-CG 4.05Å; L432-L436 HydrophobicContact CD2-CD1 4.48Å; L432-L436 HydrophobicContact CG-CD1 3.85Å; L432-L436 HydrophobicContact CG-CG 4.32Å; L432-L436 WeakPolarHBondContact O-CB 3.45Å; L432-L436 VanDerWaalsContact O-CG 3.31Å; L432-L436 WeakPolarHBondContact O-CG 3.37Å; L432-L436 PolarHBondContact O-N 2.9Å; L436-L438 PolarHBondContact O-N 3.46Å; L436-L439 PolarHBondContact O-N 3.27Å; L436-H440 WeakPolarHBondContact O-CB 3.36Å; L436-H440 PolarHBondContact O-N 3.25Å |
| 437 | S | 95.8 | Very high | 86.4 | Confident | 14 Ų | 14 | 36.1 Ų | 36.1 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.8 | -44 | 178.5 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | Y433 A434 G435 L441 | Y433-S437 WeakPolarHBondContact O-CB 3.28Å; Y433-S437 PolarHBondContact O-N 2.84Å; Y433-S437 PolarHBondContact O-OG 3.34Å; A434-S437 WeakPolarHBondContact O-CB 3.16Å; A434-S437 PolarHBondContact O-N 2.85Å; G435-S437 VanDerWaalsContact C-N 3.33Å; G435-S437 PolarHBondContact O-N 3.13Å; S437-L441 WeakPolarHBondContact O-CB 3.29Å; S437-L441 PolarHBondContact O-N 3.49Å; S437-L441 VanDerWaalsContact O-N 3.07Å |
| 438 | L | 95.3 | Very high | 83.9 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -52.2 | 174.7 | 174.8 | 64.7 | 0 | 0 | 0 | 111.7 | V272 L287 F336 A434 G435 L436 H440 L441 L442 | V272-L438 HydrophobicContact CB-CD1 4.46Å; V272-L438 HydrophobicContact CG1-CD1 3.91Å; V272-L438 HydrophobicContact CG2-CD1 4.24Å; L287-L438 HydrophobicContact CD1-CD2 3.84Å; F336-L438 HydrophobicContact CB-CB 4.32Å; F336-L438 HydrophobicContact CB-CD2 3.39Å; F336-L438 HydrophobicContact CB-CG 4.34Å; F336-L438 HydrophobicContact CD1-CB 3.71Å; F336-L438 HydrophobicContact CD1-CD2 4.39Å; F336-L438 HydrophobicContact CD2-CB 4.05Å; F336-L438 HydrophobicContact CD2-CD1 3.77Å; F336-L438 HydrophobicContact CD2-CD2 3.88Å; F336-L438 HydrophobicContact CD2-CG 4.1Å; F336-L438 HydrophobicContact CE1-CB 3.96Å; F336-L438 HydrophobicContact CE2-CB 4.3Å; F336-L438 HydrophobicContact CE2-CD1 4.01Å; F336-L438 HydrophobicContact CG-CB 3.77Å; F336-L438 HydrophobicContact CG-CD1 4.27Å; F336-L438 HydrophobicContact CG-CD2 3.65Å; F336-L438 HydrophobicContact CG-CG 4.08Å; F336-L438 HydrophobicContact CZ-CB 4.27Å; A434-L438 PolarHBondContact O-N 3.38Å; A434-L438 VanDerWaalsContact O-N 3.13Å; G435-L438 PolarHBondContact O-N 2.83Å; L436-L438 PolarHBondContact O-N 3.46Å; L438-H440 VanDerWaalsContact C-N 3.27Å; L438-H440 PolarHBondContact O-N 3.43Å; L438-L441 WeakPolarHBondContact O-CB 3.34Å; L438-L441 PolarHBondContact O-N 3.45Å; L438-L441 VanDerWaalsContact O-N 3.17Å; L438-L442 HydrophobicContact CD1-CD1 3.8Å; L438-L442 HydrophobicContact CD1-CD2 4.5Å; L438-L442 HydrophobicContact CD1-CG 3.94Å; L438-L442 HydrophobicContact CD2-CD1 4.47Å; L438-L442 HydrophobicContact CG-CD1 3.93Å; L438-L442 HydrophobicContact CG-CG 4.37Å; L438-L442 WeakPolarHBondContact O-CG 3.11Å; L438-L442 PolarHBondContact O-N 2.96Å |
| 439 | L | 94 | Very high | 81.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -34.6 | -176 | -64.9 | -178.3 | 0 | 0 | 0 | 111.8 | L284 L291 L351 L355 L360 G435 L436 S443 | L284-L439 HydrophobicContact CD1-CD2 4.21Å; L291-L439 HydrophobicContact CD1-CD1 4.06Å; L291-L439 HydrophobicContact CD1-CD2 4.23Å; L351-L439 HydrophobicContact CB-CD1 4.03Å; L351-L439 HydrophobicContact CD1-CD1 4.05Å; L351-L439 HydrophobicContact CD2-CD1 4.28Å; L351-L439 HydrophobicContact CG-CD1 4.36Å; L355-L439 HydrophobicContact CD1-CD1 4.19Å; L355-L439 HydrophobicContact CD1-CD2 4.24Å; L355-L439 HydrophobicContact CD2-CB 4.39Å; L360-L439 HydrophobicContact CD1-CB 3.67Å; G435-L439 WeakPolarHBondContact O-CG 3.36Å; G435-L439 PolarHBondContact O-N 3.22Å; G435-L439 VanDerWaalsContact O-N 3.11Å; L436-L439 PolarHBondContact O-N 3.27Å; L439-S443 VanDerWaalsContact O-CB 3.29Å; L439-S443 WeakPolarHBondContact O-CB 3.09Å; L439-S443 PolarHBondContact O-N 2.81Å; L439-S443 PolarHBondContact O-OG 2.79Å |
| 440 | H | 94.4 | Very high | 78.5 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 172.8 | -179.3 | 60.2 | 0 | 0 | 0 | 111.6 | L364 L436 L438 L442 S443 R444 | L364-H440 HydrophobicContact CD2-CB 3.98Å; L436-H440 WeakPolarHBondContact O-CB 3.36Å; L436-H440 PolarHBondContact O-N 3.25Å; L438-H440 VanDerWaalsContact C-N 3.27Å; L438-H440 PolarHBondContact O-N 3.43Å; H440-L442 VanDerWaalsContact C-N 3.34Å; H440-L442 PolarHBondContact O-N 2.68Å; H440-S443 PolarHBondContact O-N 3.09Å; H440-S443 PolarHBondContact O-OG 3.31Å; H440-R444 WeakPolarHBondContact O-CB 3.3Å; H440-R444 PolarHBondContact O-N 3.42Å; H440-R444 VanDerWaalsContact O-N 3.13Å |
| 441 | L | 93.5 | Very high | 75.5 | Confident | 14 Ų | 14 | 62.5 Ų | 62.5 | 7% | 0.073 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.1 | -46.4 | 176.5 | 173.4 | 66.5 | 0 | 0 | 0 | 111.8 | T269 V272 E273 S437 L438 R444 | T269-L441 HydrophobicContact CG2-CD2 4.49Å; T269-L441 VanDerWaalsContact O-CD2 3.29Å; T269-L441 WeakPolarHBondContact O-CD2 3.05Å; V272-L441 HydrophobicContact CB-CD2 3.91Å; V272-L441 HydrophobicContact CG1-CD2 3.9Å; E273-L441 HydrophobicContact CB-CD1 4.07Å; E273-L441 HydrophobicContact CB-CD2 4.21Å; E273-L441 HydrophobicContact CG-CD1 4.06Å; S437-L441 WeakPolarHBondContact O-CB 3.29Å; S437-L441 PolarHBondContact O-N 3.49Å; S437-L441 VanDerWaalsContact O-N 3.07Å; L438-L441 WeakPolarHBondContact O-CB 3.34Å; L438-L441 PolarHBondContact O-N 3.45Å; L438-L441 VanDerWaalsContact O-N 3.17Å; L441-R444 WeakPolarHBondContact O-CB 3.44Å; L441-R444 PolarHBondContact O-N 3.45Å |
| 442 | L | 90.8 | Very high | 72.5 | Confident | 7 Ų | 7 | 68.8 Ų | 68.8 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -72.1 | -30.9 | -176.1 | -67.4 | -179.3 | 0 | 0 | 0 | 113.2 | V272 R280 L283 L284 L287 L438 H440 | V272-L442 HydrophobicContact CG1-CD2 3.83Å; R280-L442 HydrophobicContact CB-CD2 3.81Å; R280-L442 HydrophobicContact CG-CD2 3.91Å; L283-L442 HydrophobicContact CD2-CD1 4.23Å; L283-L442 HydrophobicContact CD2-CD2 4.14Å; L283-L442 HydrophobicContact CG-CD1 4.21Å; L284-L442 HydrophobicContact CB-CB 4.06Å; L284-L442 HydrophobicContact CB-CD1 4.38Å; L284-L442 HydrophobicContact CD1-CB 3.93Å; L284-L442 HydrophobicContact CD1-CD1 4.32Å; L284-L442 HydrophobicContact CD2-CB 4.34Å; L284-L442 HydrophobicContact CG-CB 4.32Å; L287-L442 HydrophobicContact CD1-CD1 3.75Å; L438-L442 HydrophobicContact CD1-CD1 3.8Å; L438-L442 HydrophobicContact CD1-CD2 4.5Å; L438-L442 HydrophobicContact CD1-CG 3.94Å; L438-L442 HydrophobicContact CD2-CD1 4.47Å; L438-L442 HydrophobicContact CG-CD1 3.93Å; L438-L442 HydrophobicContact CG-CG 4.37Å; L438-L442 WeakPolarHBondContact O-CG 3.11Å; L438-L442 PolarHBondContact O-N 2.96Å; H440-L442 VanDerWaalsContact C-N 3.34Å; H440-L442 PolarHBondContact O-N 2.68Å |
| 443 | S | 89.1 | Confident | 69.7 | Low | 49 Ų | 49 | 73.4 Ų | 73.4 | 34% | 0.343 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -84.4 | -11 | 178.4 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | L439 H440 K445 | L439-S443 VanDerWaalsContact O-CB 3.29Å; L439-S443 WeakPolarHBondContact O-CB 3.09Å; L439-S443 PolarHBondContact O-N 2.81Å; L439-S443 PolarHBondContact O-OG 2.79Å; H440-S443 PolarHBondContact O-N 3.09Å; H440-S443 PolarHBondContact O-OG 3.31Å; S443-K445 PolarHBondContact O-N 2.92Å; S443-K445 VanDerWaalsContact O-N 3.13Å |
| 444 | R | 86.2 | Confident | 66.7 | Low | 165 Ų | 165 | 81 Ų | 81 | 62% | 0.623 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -67.3 | 111.5 | 178.5 | -164.5 | 168.3 | 168.1 | -175.2 | -5.3 | 109.6 | H440 L441 S446 | H440-R444 WeakPolarHBondContact O-CB 3.3Å; H440-R444 PolarHBondContact O-N 3.42Å; H440-R444 VanDerWaalsContact O-N 3.13Å; L441-R444 WeakPolarHBondContact O-CB 3.44Å; L441-R444 PolarHBondContact O-N 3.45Å; R444-S446 PolarHBondContact O-N 3.33Å |
| 445 | K | 61 | Low | 63.8 | Low | 169 Ų | 169 | 90.5 Ų | 90.5 | 74% | 0.735 | 51% | 0.507 | S | S | * | . | trans | -59.7 | 126.4 | 174 | -71 | -173.2 | 175.9 | -172.4 | 0 | 109.1 | S443 N447 | S443-K445 PolarHBondContact O-N 2.92Å; S443-K445 VanDerWaalsContact O-N 3.13Å; K445-N447 PolarHBondContact O-N 3.15Å; K445-N447 VanDerWaalsContact O-N 3.1Å | ||
| 446 | S | 42.9 | Very low | 62.2 | Low | 65 Ų | 65 | 95.1 Ų | 95.1 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | trans | -63.1 | 112.3 | 170.1 | -166.5 | 0 | 0 | 0 | 0 | 107.7 | R444 A448 | R444-S446 PolarHBondContact O-N 3.33Å; S446-A448 PolarHBondContact O-N 3.19Å | ||
| 447 | N | 33.5 | Very low | 60.5 | Low | 165 Ų | 165 | 100.1 Ų | 100.1 | 88% | 0.882 | 56% | 0.56 | S | S | * | * | trans | -70.1 | 69.9 | 165.9 | -78.3 | -8.1 | 0 | 0 | 0 | 108.4 | K445 | K445-N447 PolarHBondContact O-N 3.15Å; K445-N447 VanDerWaalsContact O-N 3.1Å | ||
| 448 | A | 34.1 | Very low | 58.5 | Low | 71 Ų | 71 | 104.8 Ų | 104.8 | 59% | 0.587 | 59% | 0.586 | S | S | * | * | trans | -122.2 | 80.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | S446 | S446-A448 PolarHBondContact O-N 3.19Š| ||
| 449 | L | 36.1 | Very low | 56.3 | Low | 164 Ų | 164 | 110.8 Ų | 110.8 | 86% | 0.859 | 62% | 0.619 | S | S | * | * | trans | 177.5 | 72.3 | 157.7 | -95.3 | 167 | 0 | 0 | 0 | 109.9 | ||||
| 450 | T | 33.2 | Very low | 54 | Low | 130 Ų | 130 | 117.8 Ų | 117.8 | 80% | 0.798 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -155.2 | 43.9 | 160.2 | 2.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 451 | Y | 31.2 | Very low | 51.3 | Low | 234 Ų | 234 | 122.3 Ų | 122.3 | 92% | 0.918 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -144.3 | 36.4 | 167.6 | -92.6 | -73.8 | 0 | 0 | 0 | 113.5 | ||
| 452 | C | 32.2 | Very low | 48.3 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 89% | 0.892 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -138.9 | 30.5 | 171.1 | -82.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 453 | A | 35.8 | Very low | 45 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -139.2 | 68.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 454 | L | 35.5 | Very low | 41.3 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | trans | -169.3 | 80 | 156.9 | -96.9 | 170.4 | 0 | 0 | 0 | 106.4 | ||||
| 455 | S | 34.4 | Very low | 37.3 | Very low | 200 Ų | 200 | 145.5 Ų | 145.5 | 100% | 1.399 | 84% | 0.839 | S | S | * | * | trans | -152.9 | 0 | 159.8 | -59.1 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 455 of 455 residues in 346.4 ms
(Link to these results)