| 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 | 89.3 | Confident | 95.9 | Very high | 66 Ų | 66 | 59.6 Ų | 59.6 | 33% | 0.325 | 29% | 0.292 | S | S | . | . | 0 | 127.2 | 0 | -167.6 | 172.2 | -97.7 | 0 | 0 | 109.5 | L3 H34 H35 T39 G250 F251 D267 | M1-L3 HydrophobicContact CB-CD1 4.1Å; M1-L3 HydrophobicContact CG-CD1 3.61Å; M1-L3 HydrophobicContact SD-CD1 4.03Å; M1-H34 WeakPolarHBondContact CE-O 3.5Å; M1-H35 HydrophobicContact SD-CB 4.03Å; M1-H35 PolarHBondContact SD-ND1 2.88Å; M1-T39 HydrophobicContact SD-CG2 4.37Å; M1-G250 CarbonylContact O-C 3.54Å; M1-G250 WeakPolarHBondContact O-CA 3.36Å; M1-F251 PolarHBondContact O-N 3.32Å; M1-F251 VanDerWaalsContact O-N 3.14Å; M1-D267 VanDerWaalsContact C-OD2 3.25Å; M1-D267 WeakPolarHBondContact CA-OD2 3.45Å; M1-D267 VanDerWaalsContact N-CB 3.26Å; M1-D267 PolarHBondContact N-OD2 3.41Å | |||
| 2 | R | 95.6 | Very high | 95.8 | Very high | 85 Ų | 85 | 55.6 Ų | 55.6 | 32% | 0.321 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 129.3 | 171.7 | -57.3 | -177.7 | -170.1 | -179.1 | -2 | 109 | E206 F251 E253 D267 | R2-E206 IonicContact NH2-OE1 3.24Å; R2-F251 HydrophobicContact CG-CE1 3.82Å; R2-F251 HydrophobicContact CG-CE2 4.47Å; R2-F251 HydrophobicContact CG-CZ 3.77Å; R2-E253 HydrophobicContact CB-CB 4.34Å; R2-D267 PolarHBondContact N-OD2 3.05Å; R2-D267 IonicContact NE-OD1 2.79Å |
| 3 | L | 97.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 140.7 | 177.4 | -82.9 | 66.9 | 0 | 0 | 0 | 108.4 | M1 I11 T39 I43 F219 F251 I252 E253 | M1-L3 HydrophobicContact CB-CD1 4.1Å; M1-L3 HydrophobicContact CG-CD1 3.61Å; M1-L3 HydrophobicContact SD-CD1 4.03Å; L3-I11 HydrophobicContact CD2-CD1 3.66Å; L3-T39 HydrophobicContact CD1-CG2 4.29Å; L3-I43 HydrophobicContact CD2-CD1 3.95Å; L3-F219 HydrophobicContact CB-CZ 4.36Å; L3-F219 HydrophobicContact CD1-CE2 4.08Å; L3-F219 HydrophobicContact CD2-CE2 4.16Å; L3-F219 HydrophobicContact CD2-CZ 4.12Å; L3-F251 PolarHBondContact N-O 2.83Å; L3-I252 CarbonylContact O-C 3.58Å; L3-I252 VanDerWaalsContact O-CA 3.31Å; L3-I252 WeakPolarHBondContact O-CA 3.39Å; L3-E253 PolarHBondContact O-N 3.48Å |
| 4 | S | 97.4 | Very high | 95.2 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 22% | 0.217 | 30% | 0.303 | C | S | . | . | trans | -64.4 | 153.1 | 165.4 | 68 | 0 | 0 | 0 | 0 | 110 | A6 E7 Y8 | S4-A6 PolarHBondContact O-N 3.46Å; S4-E7 WeakPolarHBondContact CB-OE2 3.43Å; S4-E7 PolarHBondContact N-OE2 3.15Å; S4-E7 PolarHBondContact O-N 2.74Å; S4-E7 WeakPolarHBondContact OG-CB 3.38Å; S4-E7 VanDerWaalsContact OG-CD 3.27Å; S4-E7 WeakPolarHBondContact OG-CG 3.42Å; S4-E7 PolarHBondContact OG-N 3.05Å; S4-E7 PolarHBondContact OG-OE2 3.47Å; S4-Y8 PolarHBondContact O-N 2.98Å | ||
| 5 | R | 97.3 | Very high | 94.8 | Very high | 66 Ų | 66 | 61.2 Ų | 61.2 | 25% | 0.249 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.9 | -31.6 | 175 | -175.5 | 177.7 | -64 | -97.2 | -4.8 | 112.7 | K9 D222 I252 E254 | R5-K9 HydrophobicContact CG-CD 4.41Å; R5-K9 WeakPolarHBondContact O-CB 3.48Å; R5-K9 VanDerWaalsContact O-CG 3.23Å; R5-K9 WeakPolarHBondContact O-CG 3.15Å; R5-K9 PolarHBondContact O-N 3.29Å; R5-D222 IonicContact CZ-OD1 3.16Å; R5-D222 IonicContact CZ-OD2 3.44Å; R5-D222 IonicContact NH1-OD1 2.62Å; R5-D222 PolarHBondContact NH1-OD1 3.19Å; R5-D222 IonicContact NH1-OD2 2.65Å; R5-D222 PolarHBondContact NH1-OD2 3.5Å; R5-D222 IonicContact NH2-OD1 2.84Å; R5-D222 PolarHBondContact NH2-OD1 3.47Å; R5-D222 IonicContact NH2-OD2 3.77Å; R5-I252 HydrophobicContact CB-CG2 3.81Å; R5-I252 HydrophobicContact CG-CG2 4.35Å; R5-E254 WeakPolarHBondContact CB-OE1 3.46Å; R5-E254 WeakPolarHBondContact CB-OE2 3.38Å; R5-E254 VanDerWaalsContact N-CD 3.35Å; R5-E254 PolarHBondContact N-OE1 2.97Å; R5-E254 PolarHBondContact N-OE2 3.37Å |
| 6 | A | 97.2 | Very high | 94.1 | Very high | 69 Ų | 69 | 62.8 Ų | 62.8 | 57% | 0.57 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.1 | -49 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S4 K9 E10 | S4-A6 PolarHBondContact O-N 3.46Å; A6-K9 PolarHBondContact O-N 3.08Å; A6-E10 PolarHBondContact O-N 2.95Å |
| 7 | E | 96.4 | Very high | 93.5 | Very high | 86 Ų | 86 | 66.2 Ų | 66.2 | 40% | 0.402 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 176.8 | -70.9 | 164.9 | 136.4 | 0 | 0 | 111.6 | S4 K9 E10 I11 | S4-E7 WeakPolarHBondContact CB-OE2 3.43Å; S4-E7 PolarHBondContact N-OE2 3.15Å; S4-E7 PolarHBondContact O-N 2.74Å; S4-E7 WeakPolarHBondContact OG-CB 3.38Å; S4-E7 VanDerWaalsContact OG-CD 3.27Å; S4-E7 WeakPolarHBondContact OG-CG 3.42Å; S4-E7 PolarHBondContact OG-N 3.05Å; S4-E7 PolarHBondContact OG-OE2 3.47Å; E7-K9 VanDerWaalsContact C-N 3.3Å; E7-K9 PolarHBondContact O-N 2.97Å; E7-E10 WeakPolarHBondContact O-CB 3.21Å; E7-E10 PolarHBondContact O-N 3.09Å; E7-E10 VanDerWaalsContact O-N 3.12Å; E7-I11 WeakPolarHBondContact O-CG1 3.42Å; E7-I11 PolarHBondContact O-N 2.62Å |
| 8 | Y | 97.2 | Very high | 93 | Very high | 14 Ų | 14 | 63.4 Ų | 63.4 | 6% | 0.055 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.8 | -44.1 | 175.5 | 163.6 | -102.1 | 0 | 0 | 0 | 111.8 | S4 E10 I11 A12 I43 E47 K50 F219 D221 I252 | S4-Y8 PolarHBondContact O-N 2.98Å; Y8-E10 VanDerWaalsContact C-N 3.31Å; Y8-E10 PolarHBondContact O-N 3.27Å; Y8-I11 PolarHBondContact O-N 2.84Å; Y8-A12 HydrophobicContact CE2-CB 4.45Å; Y8-A12 VanDerWaalsContact O-CB 3.28Å; Y8-A12 WeakPolarHBondContact O-CB 3.4Å; Y8-A12 PolarHBondContact O-N 3.39Å; Y8-I43 HydrophobicContact CD2-CD1 4.47Å; Y8-I43 HydrophobicContact CD2-CG1 4.47Å; Y8-I43 HydrophobicContact CD2-CG2 4.36Å; Y8-I43 HydrophobicContact CE2-CG2 4.13Å; Y8-E47 PolarHBondContact OH-OE1 2.85Å; Y8-K50 PolarHBondContact OH-NZ 3.45Å; Y8-F219 HydrophobicContact CD2-CD1 4.28Å; Y8-F219 AromaticContact CD2-CE1 3.47Å; Y8-F219 HydrophobicContact CD2-CE1 3.47Å; Y8-F219 VanDerWaalsContact CD2-CE1 3.47Å; Y8-F219 HydrophobicContact CD2-CZ 4.01Å; Y8-F219 HydrophobicContact CE2-CD1 4.23Å; Y8-F219 AromaticContact CE2-CE1 3.81Å; Y8-F219 HydrophobicContact CE2-CE1 3.81Å; Y8-F219 HydrophobicContact CG-CE1 4.24Å; Y8-D221 HydrophobicContact CE1-CB 4.44Å; Y8-D221 HydrophobicContact CE2-CB 4.33Å; Y8-I252 HydrophobicContact CD1-CD1 3.34Å; Y8-I252 HydrophobicContact CD1-CG1 3.93Å; Y8-I252 HydrophobicContact CD2-CD1 4.42Å; Y8-I252 HydrophobicContact CD2-CG1 4.39Å; Y8-I252 HydrophobicContact CE1-CD1 3.63Å; Y8-I252 HydrophobicContact CG-CD1 3.76Å; Y8-I252 HydrophobicContact CG-CG1 3.82Å |
| 9 | K | 96.2 | Very high | 92.2 | Very high | 126 Ų | 126 | 69.3 Ų | 69.3 | 55% | 0.548 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 177.4 | -79.2 | 175.4 | 179 | 179.2 | 0 | 112.5 | R5 A6 E7 R13 | R5-K9 HydrophobicContact CG-CD 4.41Å; R5-K9 WeakPolarHBondContact O-CB 3.48Å; R5-K9 VanDerWaalsContact O-CG 3.23Å; R5-K9 WeakPolarHBondContact O-CG 3.15Å; R5-K9 PolarHBondContact O-N 3.29Å; A6-K9 PolarHBondContact O-N 3.08Å; E7-K9 VanDerWaalsContact C-N 3.3Å; E7-K9 PolarHBondContact O-N 2.97Å; K9-R13 VanDerWaalsContact O-CB 3.32Å; K9-R13 WeakPolarHBondContact O-CB 3.29Å; K9-R13 PolarHBondContact O-N 2.7Å |
| 10 | E | 95.8 | Very high | 91.4 | Very high | 110 Ų | 110 | 66.5 Ų | 66.5 | 51% | 0.514 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.5 | -48.6 | 175.5 | -170.6 | -175 | 162.5 | 0 | 0 | 111.1 | A6 E7 Y8 A12 R13 W14 | A6-E10 PolarHBondContact O-N 2.95Å; E7-E10 WeakPolarHBondContact O-CB 3.21Å; E7-E10 PolarHBondContact O-N 3.09Å; E7-E10 VanDerWaalsContact O-N 3.12Å; Y8-E10 VanDerWaalsContact C-N 3.31Å; Y8-E10 PolarHBondContact O-N 3.27Å; E10-A12 PolarHBondContact O-N 3.15Å; E10-R13 PolarHBondContact O-N 2.96Å; E10-W14 PolarHBondContact O-N 2.65Å; E10-W14 VanDerWaalsContact O-N 3.13Å |
| 11 | I | 95.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 176.7 | -60.7 | 167.5 | 0 | 0 | 0 | 109.9 | L3 E7 Y8 R13 W14 T15 Y32 L40 I43 | L3-I11 HydrophobicContact CD2-CD1 3.66Å; E7-I11 WeakPolarHBondContact O-CG1 3.42Å; E7-I11 PolarHBondContact O-N 2.62Å; Y8-I11 PolarHBondContact O-N 2.84Å; I11-R13 PolarHBondContact O-N 2.85Å; I11-W14 WeakPolarHBondContact O-CB 3.03Å; I11-W14 PolarHBondContact O-N 3.29Å; I11-W14 VanDerWaalsContact O-N 3.09Å; I11-T15 HydrophobicContact CG2-CG2 4.26Å; I11-T15 WeakPolarHBondContact O-CG2 3.46Å; I11-T15 PolarHBondContact O-N 3.4Å; I11-Y32 HydrophobicContact CB-CE2 4.43Å; I11-Y32 HydrophobicContact CG1-CD1 4.15Å; I11-Y32 HydrophobicContact CG1-CD2 4.33Å; I11-Y32 HydrophobicContact CG1-CE1 3.9Å; I11-Y32 HydrophobicContact CG1-CE2 4.07Å; I11-Y32 HydrophobicContact CG1-CG 4.37Å; I11-Y32 HydrophobicContact CG2-CE2 4.3Å; I11-L40 HydrophobicContact CD1-CD2 4.42Å; I11-L40 HydrophobicContact CG2-CD2 4.28Å; I11-I43 HydrophobicContact CD1-CD1 4.18Å; I11-I43 HydrophobicContact CG2-CD1 4.31Å; I11-I43 HydrophobicContact CG2-CG2 3.8Å |
| 12 | A | 94.4 | Very high | 89.9 | Confident | 11 Ų | 11 | 72.5 Ų | 72.5 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y8 E10 W14 T15 E16 E47 | Y8-A12 HydrophobicContact CE2-CB 4.45Å; Y8-A12 VanDerWaalsContact O-CB 3.28Å; Y8-A12 WeakPolarHBondContact O-CB 3.4Å; Y8-A12 PolarHBondContact O-N 3.39Å; E10-A12 PolarHBondContact O-N 3.15Å; A12-W14 VanDerWaalsContact C-N 3.27Å; A12-W14 PolarHBondContact O-N 3.11Å; A12-T15 WeakPolarHBondContact CA-OG1 3.44Å; A12-T15 PolarHBondContact O-N 2.95Å; A12-T15 PolarHBondContact O-OG1 3.14Å; A12-E16 PolarHBondContact O-N 3.05Å; A12-E16 VanDerWaalsContact O-N 3.13Å; A12-E47 HydrophobicContact CB-CG 3.81Å |
| 13 | R | 92.9 | Very high | 89.1 | Confident | 180 Ų | 180 | 74.9 Ų | 74.9 | 68% | 0.679 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.5 | -35.5 | 175.5 | -174.9 | 178.2 | 179.4 | 174.4 | 0.1 | 111.9 | K9 E10 I11 | K9-R13 VanDerWaalsContact O-CB 3.32Å; K9-R13 WeakPolarHBondContact O-CB 3.29Å; K9-R13 PolarHBondContact O-N 2.7Å; E10-R13 PolarHBondContact O-N 2.96Å; I11-R13 PolarHBondContact O-N 2.85Å |
| 14 | W | 90.3 | Very high | 88.5 | Confident | 66 Ų | 66 | 75 Ų | 75 | 25% | 0.25 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -73.2 | -40.6 | 176.3 | -172 | -106.6 | 0 | 0 | 0 | 112 | E10 I11 A12 E16 Q17 R31 | E10-W14 PolarHBondContact O-N 2.65Å; E10-W14 VanDerWaalsContact O-N 3.13Å; I11-W14 WeakPolarHBondContact O-CB 3.03Å; I11-W14 PolarHBondContact O-N 3.29Å; I11-W14 VanDerWaalsContact O-N 3.09Å; A12-W14 VanDerWaalsContact C-N 3.27Å; A12-W14 PolarHBondContact O-N 3.11Å; W14-E16 VanDerWaalsContact C-N 3.25Å; W14-E16 PolarHBondContact O-N 2.94Å; W14-Q17 VanDerWaalsContact CZ3-OE1 3.31Å; W14-Q17 WeakPolarHBondContact O-CB 3.2Å; W14-Q17 PolarHBondContact O-N 3.12Å; W14-R31 VanDerWaalsContact CE3-NH1 3.31Å |
| 15 | T | 89.3 | Confident | 88.1 | Confident | 5 Ų | 5 | 75.1 Ų | 75.1 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.7 | -31.8 | 177.9 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | I11 A12 Q17 L18 L28 F44 E47 | I11-T15 HydrophobicContact CG2-CG2 4.26Å; I11-T15 WeakPolarHBondContact O-CG2 3.46Å; I11-T15 PolarHBondContact O-N 3.4Å; A12-T15 WeakPolarHBondContact CA-OG1 3.44Å; A12-T15 PolarHBondContact O-N 2.95Å; A12-T15 PolarHBondContact O-OG1 3.14Å; T15-Q17 PolarHBondContact O-N 2.66Å; T15-L18 PolarHBondContact O-N 2.94Å; T15-L18 VanDerWaalsContact O-N 3.11Å; T15-L28 HydrophobicContact CG2-CD1 4.31Å; T15-L28 HydrophobicContact CG2-CD2 3.91Å; T15-F44 HydrophobicContact CG2-CB 4.29Å; T15-F44 HydrophobicContact CG2-CD2 3.93Å; T15-E47 WeakPolarHBondContact OG1-CB 3.39Å |
| 16 | E | 84.1 | Confident | 87.7 | Confident | 86 Ų | 86 | 78.9 Ų | 78.9 | 40% | 0.402 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27.5 | 172.6 | -75.9 | -174 | 162 | 0 | 0 | 113.1 | A12 W14 R51 R54 | A12-E16 PolarHBondContact O-N 3.05Å; A12-E16 VanDerWaalsContact O-N 3.13Å; W14-E16 VanDerWaalsContact C-N 3.25Å; W14-E16 PolarHBondContact O-N 2.94Å; E16-R51 PolarHBondContact O-NH1 2.94Å; E16-R54 IonicContact OE1-NH1 2.67Å; E16-R54 PolarHBondContact OE1-NH1 3.13Å; E16-R54 VanDerWaalsContact OE1-NH1 3.16Å |
| 17 | Q | 83.8 | Confident | 87.4 | Confident | 122 Ų | 122 | 78.9 Ų | 78.9 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -14.8 | 179.7 | -59 | 178.7 | 8.4 | 0 | 0 | 113 | W14 T15 | W14-Q17 VanDerWaalsContact CZ3-OE1 3.31Å; W14-Q17 WeakPolarHBondContact O-CB 3.2Å; W14-Q17 PolarHBondContact O-N 3.12Å; T15-Q17 PolarHBondContact O-N 2.66Å |
| 18 | L | 84.6 | Confident | 87.2 | Confident | 16 Ų | 16 | 74.8 Ų | 74.8 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -86.1 | 131.6 | -177 | -64.1 | 177.3 | 0 | 0 | 0 | 111.1 | T15 I27 L28 F44 | T15-L18 PolarHBondContact O-N 2.94Å; T15-L18 VanDerWaalsContact O-N 3.11Å; L18-I27 HydrophobicContact CD2-CD1 4.47Å; L18-I27 HydrophobicContact CD2-CG2 3.91Å; L18-L28 HydrophobicContact CD1-CD1 4.16Å; L18-L28 HydrophobicContact CD1-CD2 3.6Å; L18-L28 HydrophobicContact CD1-CG 3.62Å; L18-F44 HydrophobicContact CB-CE2 4.23Å |
| 19 | R | 78.4 | Confident | 87 | Confident | 174 Ų | 174 | 77.4 Ų | 77.4 | 66% | 0.657 | 34% | 0.34 | S | S | * | . | trans | -76.9 | 136.7 | 169.2 | -67 | -173.3 | -178.6 | -167.7 | -1.2 | 109.8 | T21 C24 | R19-T21 HydrophobicContact CB-CG2 4.1Å; R19-T21 PolarHBondContact O-N 2.71Å; R19-C24 PolarHBondContact O-SG 2.88Å | ||
| 20 | P | 76.2 | Confident | 86.9 | Confident | 14 Ų | 14 | 76.9 Ų | 76.9 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -68.8 | 69.3 | -176.2 | 35.9 | -42.6 | 0 | 0 | 0 | 113 | F44 Y48 C148 | P20-F44 HydrophobicContact CB-CZ 4.21Å; P20-Y48 HydrophobicContact CB-CD2 4Å; P20-Y48 HydrophobicContact CB-CE2 3.54Å; P20-Y48 HydrophobicContact CG-CD2 4.33Å; P20-Y48 HydrophobicContact CG-CE2 3.47Å; P20-Y48 VanDerWaalsContact CG-CE2 3.47Å; P20-C148 WeakPolarHBondContact CB-SG 3.47Å; P20-C148 PolarHBondContact O-SG 3.09Å |
| 21 | T | 76.5 | Confident | 86.8 | Confident | 60 Ų | 60 | 77.3 Ų | 77.3 | 37% | 0.368 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -108.3 | 163.8 | 179.3 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | R19 Q23 C24 | R19-T21 HydrophobicContact CB-CG2 4.1Å; R19-T21 PolarHBondContact O-N 2.71Å; T21-Q23 PolarHBondContact O-N 3.23Å; T21-Q23 PolarHBondContact OG1-N 2.86Å; T21-C24 PolarHBondContact N-SG 3.1Å; T21-C24 WeakPolarHBondContact O-CB 3.41Å; T21-C24 PolarHBondContact O-N 2.68Å; T21-C24 PolarHBondContact O-SG 3.43Å |
| 22 | R | 70.9 | Confident | 86.8 | Confident | 199 Ų | 199 | 78.4 Ų | 78.4 | 75% | 0.751 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -15.3 | 175.3 | -63.6 | -175.6 | 178.4 | -151.1 | -2.4 | 113.6 | I145 | R22-I145 PolarHBondContact NH2-O 2.97Š|
| 23 | Q | 80.1 | Confident | 86.8 | Confident | 135 Ų | 135 | 81.3 Ų | 81.3 | 63% | 0.631 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -12.6 | 179.6 | -63.7 | -178.3 | -3.7 | 0 | 0 | 113.8 | T21 M25 K26 I27 | T21-Q23 PolarHBondContact O-N 3.23Å; T21-Q23 PolarHBondContact OG1-N 2.86Å; Q23-M25 PolarHBondContact O-N 3.47Å; Q23-K26 WeakPolarHBondContact O-CB 3.42Å; Q23-K26 PolarHBondContact O-N 3.21Å; Q23-K26 VanDerWaalsContact O-N 3.09Å; Q23-I27 HydrophobicContact CB-CD1 4.49Å; Q23-I27 WeakPolarHBondContact O-CG1 3.46Å; Q23-I27 PolarHBondContact O-N 3.38Å; Q23-I27 VanDerWaalsContact O-N 3.1Å |
| 24 | C | 84.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 80.6 Ų | 80.6 | 1% | 0.014 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -51.1 | -45.4 | -178.7 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | R19 T21 K26 I27 L28 F44 | R19-C24 PolarHBondContact O-SG 2.88Å; T21-C24 PolarHBondContact N-SG 3.1Å; T21-C24 WeakPolarHBondContact O-CB 3.41Å; T21-C24 PolarHBondContact O-N 2.68Å; T21-C24 PolarHBondContact O-SG 3.43Å; C24-K26 VanDerWaalsContact C-N 3.33Å; C24-K26 PolarHBondContact O-N 3.33Å; C24-I27 PolarHBondContact O-N 3.1Å; C24-L28 WeakPolarHBondContact O-CB 3.4Å; C24-L28 WeakPolarHBondContact O-CG 3.49Å; C24-L28 PolarHBondContact O-N 3.26Å; C24-F44 HydrophobicContact CB-CE1 4.29Å; C24-F44 HydrophobicContact CB-CE2 4.4Å; C24-F44 HydrophobicContact CB-CZ 4.13Å |
| 25 | M | 88 | Confident | 87.1 | Confident | 35 Ų | 35 | 78.8 Ų | 78.8 | 17% | 0.172 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.8 | -35.7 | -175.6 | -70.5 | -47.9 | -52.2 | 0 | 0 | 112.5 | Q23 L28 K29 Q37 L40 L41 | Q23-M25 PolarHBondContact O-N 3.47Å; M25-L28 HydrophobicContact SD-CD1 4.1Å; M25-K29 WeakPolarHBondContact O-CB 3.34Å; M25-K29 PolarHBondContact O-N 3.22Å; M25-Q37 HydrophobicContact CE-CG 3.89Å; M25-Q37 WeakPolarHBondContact CE-O 3.23Å; M25-L40 HydrophobicContact CE-CB 3.91Å; M25-L41 HydrophobicContact CE-CB 3.75Å; M25-L41 HydrophobicContact CG-CD1 4.09Å; M25-L41 HydrophobicContact SD-CB 3.82Å; M25-L41 HydrophobicContact SD-CD1 3.61Å; M25-L41 HydrophobicContact SD-CG 4.31Å |
| 26 | K | 89.8 | Confident | 87.3 | Confident | 145 Ų | 145 | 80.9 Ų | 80.9 | 63% | 0.63 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63 | -49.9 | 173.1 | -173.7 | 179.8 | 177.8 | -177.6 | 0 | 110.3 | Q23 C24 L28 K29 D30 | Q23-K26 WeakPolarHBondContact O-CB 3.42Å; Q23-K26 PolarHBondContact O-N 3.21Å; Q23-K26 VanDerWaalsContact O-N 3.09Å; C24-K26 VanDerWaalsContact C-N 3.33Å; C24-K26 PolarHBondContact O-N 3.33Å; K26-L28 VanDerWaalsContact C-N 3.34Å; K26-L28 PolarHBondContact O-N 3.21Å; K26-K29 PolarHBondContact O-N 3.05Å; K26-K29 VanDerWaalsContact O-N 3.16Å; K26-D30 WeakPolarHBondContact O-CB 3.21Å; K26-D30 PolarHBondContact O-N 2.76Å |
| 27 | I | 91.2 | Very high | 87.8 | Confident | 68 Ų | 68 | 82.5 Ų | 82.5 | 35% | 0.349 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 179.2 | -62.8 | 167.2 | 0 | 0 | 0 | 111.5 | L18 Q23 C24 R31 | L18-I27 HydrophobicContact CD2-CD1 4.47Å; L18-I27 HydrophobicContact CD2-CG2 3.91Å; Q23-I27 HydrophobicContact CB-CD1 4.49Å; Q23-I27 WeakPolarHBondContact O-CG1 3.46Å; Q23-I27 PolarHBondContact O-N 3.38Å; Q23-I27 VanDerWaalsContact O-N 3.1Å; C24-I27 PolarHBondContact O-N 3.1Å; I27-R31 WeakPolarHBondContact O-CB 3.11Å; I27-R31 PolarHBondContact O-N 3.03Å; I27-R31 VanDerWaalsContact O-N 3.15Å |
| 28 | L | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 177.7 | -75.9 | 170.5 | 0 | 0 | 0 | 111.6 | T15 L18 C24 M25 K26 R31 Y32 L40 F44 | T15-L28 HydrophobicContact CG2-CD1 4.31Å; T15-L28 HydrophobicContact CG2-CD2 3.91Å; L18-L28 HydrophobicContact CD1-CD1 4.16Å; L18-L28 HydrophobicContact CD1-CD2 3.6Å; L18-L28 HydrophobicContact CD1-CG 3.62Å; C24-L28 WeakPolarHBondContact O-CB 3.4Å; C24-L28 WeakPolarHBondContact O-CG 3.49Å; C24-L28 PolarHBondContact O-N 3.26Å; M25-L28 HydrophobicContact SD-CD1 4.1Å; K26-L28 VanDerWaalsContact C-N 3.34Å; K26-L28 PolarHBondContact O-N 3.21Å; L28-R31 PolarHBondContact O-N 3.19Å; L28-Y32 HydrophobicContact CD2-CD2 4.32Å; L28-Y32 HydrophobicContact CD2-CE2 4.28Å; L28-Y32 PolarHBondContact O-N 2.9Å; L28-L40 HydrophobicContact CB-CD1 4.34Å; L28-F44 HydrophobicContact CD1-CB 3.9Å; L28-F44 HydrophobicContact CD1-CD2 4.06Å; L28-F44 HydrophobicContact CD1-CG 4.09Å |
| 29 | K | 93.3 | Very high | 88.8 | Confident | 70 Ų | 70 | 78.5 Ų | 78.5 | 30% | 0.304 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.2 | -36.9 | -178.9 | -170.9 | 54.7 | 172.5 | 163.8 | 0 | 112.5 | M25 K26 R31 Y32 P33 H35 L40 | M25-K29 WeakPolarHBondContact O-CB 3.34Å; M25-K29 PolarHBondContact O-N 3.22Å; K26-K29 PolarHBondContact O-N 3.05Å; K26-K29 VanDerWaalsContact O-N 3.16Å; K29-R31 VanDerWaalsContact C-N 3.29Å; K29-R31 PolarHBondContact O-N 2.97Å; K29-Y32 CarbonylContact O-C 3.51Å; K29-P33 PolarHBondContact NZ-O 3.26Å; K29-P33 VanDerWaalsContact O-CA 3.3Å; K29-P33 WeakPolarHBondContact O-CA 3.29Å; K29-H35 PolarHBondContact NZ-O 3.37Å; K29-L40 HydrophobicContact CD-CD1 4.21Å |
| 30 | D | 93.9 | Very high | 89.6 | Confident | 115 Ų | 115 | 70.2 Ų | 70.2 | 62% | 0.615 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64 | -36.9 | 174.4 | -68.2 | -16.2 | 0 | 0 | 0 | 111 | K26 | K26-D30 WeakPolarHBondContact O-CB 3.21Å; K26-D30 PolarHBondContact O-N 2.76Å |
| 31 | R | 94.1 | Very high | 90.4 | Very high | 118 Ų | 118 | 73.4 Ų | 73.4 | 45% | 0.445 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -79.8 | -39.4 | 179.1 | -173.1 | 171.6 | -174.6 | 122.7 | 4.8 | 113.8 | W14 I27 L28 K29 P33 | W14-R31 VanDerWaalsContact CE3-NH1 3.31Å; I27-R31 WeakPolarHBondContact O-CB 3.11Å; I27-R31 PolarHBondContact O-N 3.03Å; I27-R31 VanDerWaalsContact O-N 3.15Å; L28-R31 PolarHBondContact O-N 3.19Å; K29-R31 VanDerWaalsContact C-N 3.29Å; K29-R31 PolarHBondContact O-N 2.97Å; R31-P33 VanDerWaalsContact O-CD 3.23Å; R31-P33 WeakPolarHBondContact O-CD 3.37Å |
| 32 | Y | 94.8 | Very high | 91.2 | Very high | 25 Ų | 25 | 71.4 Ų | 71.4 | 10% | 0.098 | 34% | 0.343 | C | S | . | . | trans | -119.2 | 65.3 | -177.4 | -56.9 | -71.5 | 0 | 0 | 0 | 110.9 | I11 L28 K29 H34 H35 L40 | I11-Y32 HydrophobicContact CB-CE2 4.43Å; I11-Y32 HydrophobicContact CG1-CD1 4.15Å; I11-Y32 HydrophobicContact CG1-CD2 4.33Å; I11-Y32 HydrophobicContact CG1-CE1 3.9Å; I11-Y32 HydrophobicContact CG1-CE2 4.07Å; I11-Y32 HydrophobicContact CG1-CG 4.37Å; I11-Y32 HydrophobicContact CG2-CE2 4.3Å; L28-Y32 HydrophobicContact CD2-CD2 4.32Å; L28-Y32 HydrophobicContact CD2-CE2 4.28Å; L28-Y32 PolarHBondContact O-N 2.9Å; K29-Y32 CarbonylContact O-C 3.51Å; Y32-H34 PolarHBondContact O-N 2.67Å; Y32-H35 PolarHBondContact O-N 3.24Å; Y32-L40 HydrophobicContact CD2-CD2 4.2Å; Y32-L40 HydrophobicContact CG-CD2 4.36Å | ||
| 33 | P | 94.3 | Very high | 92.4 | Very high | 72 Ų | 72 | 61.9 Ų | 61.9 | 47% | 0.468 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -26 | -172 | 25.8 | -35.3 | 0 | 0 | 0 | 113 | K29 R31 H35 | K29-P33 PolarHBondContact NZ-O 3.26Å; K29-P33 VanDerWaalsContact O-CA 3.3Å; K29-P33 WeakPolarHBondContact O-CA 3.29Å; R31-P33 VanDerWaalsContact O-CD 3.23Å; R31-P33 WeakPolarHBondContact O-CD 3.37Å; P33-H35 VanDerWaalsContact C-N 3.35Å |
| 34 | H | 93.7 | Very high | 93 | Very high | 166 Ų | 166 | 55.7 Ų | 55.7 | 77% | 0.769 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -16.6 | -179.4 | -58.3 | -61.3 | 0 | 0 | 0 | 114.2 | M1 Y32 | M1-H34 WeakPolarHBondContact CE-O 3.5Å; Y32-H34 PolarHBondContact O-N 2.67Å |
| 35 | H | 94.8 | Very high | 93.3 | Very high | 27 Ų | 27 | 56.3 Ų | 56.3 | 13% | 0.125 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -90.9 | 144.4 | 177.6 | -63.5 | -43.9 | 0 | 0 | 0 | 111.7 | M1 K29 Y32 P33 L40 | M1-H35 HydrophobicContact SD-CB 4.03Å; M1-H35 PolarHBondContact SD-ND1 2.88Å; K29-H35 PolarHBondContact NZ-O 3.37Å; Y32-H35 PolarHBondContact O-N 3.24Å; P33-H35 VanDerWaalsContact C-N 3.35Å; H35-L40 HydrophobicContact CB-CD1 4.15Å; H35-L40 HydrophobicContact CB-CD2 3.84Å; H35-L40 HydrophobicContact CB-CG 3.81Å |
| 36 | S | 94.8 | Very high | 93.5 | Very high | 50 Ų | 50 | 55.9 Ų | 55.9 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | trans | -66 | 149.9 | 176.6 | 76.7 | 0 | 0 | 0 | 0 | 110.9 | S38 T39 L40 | S36-S38 PolarHBondContact O-N 3.23Å; S36-T39 WeakPolarHBondContact O-CB 3.23Å; S36-T39 PolarHBondContact O-N 2.98Å; S36-T39 WeakPolarHBondContact OG-CB 3.23Å; S36-T39 PolarHBondContact OG-N 2.97Å; S36-T39 PolarHBondContact OG-OG1 2.88Å; S36-L40 PolarHBondContact O-N 2.82Å; S36-L40 VanDerWaalsContact O-N 3.1Å | ||
| 37 | Q | 93.8 | Very high | 93.6 | Very high | 120 Ų | 120 | 49.5 Ų | 49.5 | 56% | 0.561 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -58.4 | -40.2 | 178.8 | -178 | 176.1 | -35.5 | 0 | 0 | 111.4 | M25 L40 L41 | M25-Q37 HydrophobicContact CE-CG 3.89Å; M25-Q37 WeakPolarHBondContact CE-O 3.23Å; Q37-L40 PolarHBondContact O-N 2.99Å; Q37-L41 VanDerWaalsContact O-CB 3.31Å; Q37-L41 WeakPolarHBondContact O-CB 3.21Å; Q37-L41 PolarHBondContact O-N 2.9Å |
| 38 | S | 93.9 | Very high | 93.5 | Very high | 52 Ų | 52 | 46.6 Ų | 46.6 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.1 | -39.1 | 178.7 | -43.8 | 0 | 0 | 0 | 0 | 112.6 | S36 L41 S42 | S36-S38 PolarHBondContact O-N 3.23Å; S38-L41 PolarHBondContact O-N 2.96Å; S38-S42 VanDerWaalsContact O-CB 3.27Å; S38-S42 WeakPolarHBondContact O-CB 3.31Å; S38-S42 PolarHBondContact O-N 2.87Å |
| 39 | T | 96 | Very high | 93.4 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -52.1 | 174 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | M1 L3 S36 L41 S42 I43 F219 Y249 | M1-T39 HydrophobicContact SD-CG2 4.37Å; L3-T39 HydrophobicContact CD1-CG2 4.29Å; S36-T39 WeakPolarHBondContact O-CB 3.23Å; S36-T39 PolarHBondContact O-N 2.98Å; S36-T39 WeakPolarHBondContact OG-CB 3.23Å; S36-T39 PolarHBondContact OG-N 2.97Å; S36-T39 PolarHBondContact OG-OG1 2.88Å; T39-L41 PolarHBondContact O-N 2.85Å; T39-S42 PolarHBondContact O-N 2.88Å; T39-I43 HydrophobicContact CG2-CD1 3.93Å; T39-I43 WeakPolarHBondContact O-CG1 3.49Å; T39-I43 PolarHBondContact O-N 3.21Å; T39-F219 HydrophobicContact CG2-CD2 4.01Å; T39-F219 HydrophobicContact CG2-CE2 4.05Å; T39-Y249 WeakPolarHBondContact CA-O 3.23Å; T39-Y249 WeakPolarHBondContact CB-O 3.31Å; T39-Y249 WeakPolarHBondContact CG2-O 3.31Å; T39-Y249 PolarHBondContact OG1-O 3.16Å; T39-Y249 VanDerWaalsContact OG1-O 3.1Å |
| 40 | L | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | -179.7 | -67.1 | 174 | 0 | 0 | 0 | 112.2 | I11 M25 L28 K29 Y32 H35 S36 Q37 S42 F44 | I11-L40 HydrophobicContact CD1-CD2 4.42Å; I11-L40 HydrophobicContact CG2-CD2 4.28Å; M25-L40 HydrophobicContact CE-CB 3.91Å; L28-L40 HydrophobicContact CB-CD1 4.34Å; K29-L40 HydrophobicContact CD-CD1 4.21Å; Y32-L40 HydrophobicContact CD2-CD2 4.2Å; Y32-L40 HydrophobicContact CG-CD2 4.36Å; H35-L40 HydrophobicContact CB-CD1 4.15Å; H35-L40 HydrophobicContact CB-CD2 3.84Å; H35-L40 HydrophobicContact CB-CG 3.81Å; S36-L40 PolarHBondContact O-N 2.82Å; S36-L40 VanDerWaalsContact O-N 3.1Å; Q37-L40 PolarHBondContact O-N 2.99Å; L40-S42 VanDerWaalsContact C-N 3.34Å; L40-F44 VanDerWaalsContact O-CB 3.25Å; L40-F44 WeakPolarHBondContact O-CB 3.44Å; L40-F44 PolarHBondContact O-N 3.25Å |
| 41 | L | 92.6 | Very high | 93 | Very high | 80 Ų | 80 | 45.1 Ų | 45.1 | 42% | 0.419 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.5 | -41.3 | 177 | 178.6 | 62 | 0 | 0 | 0 | 111.2 | M25 Q37 S38 T39 F44 S45 | M25-L41 HydrophobicContact CE-CB 3.75Å; M25-L41 HydrophobicContact CG-CD1 4.09Å; M25-L41 HydrophobicContact SD-CB 3.82Å; M25-L41 HydrophobicContact SD-CD1 3.61Å; M25-L41 HydrophobicContact SD-CG 4.31Å; Q37-L41 VanDerWaalsContact O-CB 3.31Å; Q37-L41 WeakPolarHBondContact O-CB 3.21Å; Q37-L41 PolarHBondContact O-N 2.9Å; S38-L41 PolarHBondContact O-N 2.96Å; T39-L41 PolarHBondContact O-N 2.85Å; L41-F44 PolarHBondContact O-N 3.35Å; L41-S45 WeakPolarHBondContact O-CB 3.42Å; L41-S45 PolarHBondContact O-N 3.36Å |
| 42 | S | 94.1 | Very high | 92.7 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.5 | -44 | 179.5 | -162.7 | 0 | 0 | 0 | 0 | 111.7 | S38 T39 L40 F44 S45 L46 S218 F219 | S38-S42 VanDerWaalsContact O-CB 3.27Å; S38-S42 WeakPolarHBondContact O-CB 3.31Å; S38-S42 PolarHBondContact O-N 2.87Å; T39-S42 PolarHBondContact O-N 2.88Å; L40-S42 VanDerWaalsContact C-N 3.34Å; S42-F44 PolarHBondContact O-N 3.33Å; S42-S45 PolarHBondContact O-N 2.93Å; S42-L46 VanDerWaalsContact O-CB 3.32Å; S42-L46 WeakPolarHBondContact O-CB 3.32Å; S42-L46 PolarHBondContact O-N 3.48Å; S42-S218 WeakPolarHBondContact OG-CA 3.49Å; S42-F219 PolarHBondContact OG-N 3.19Å |
| 43 | I | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.6 | -47.1 | 172.1 | -65.9 | 168.1 | 0 | 0 | 0 | 110.6 | L3 Y8 I11 T39 S45 L46 E47 F219 | L3-I43 HydrophobicContact CD2-CD1 3.95Å; Y8-I43 HydrophobicContact CD2-CD1 4.47Å; Y8-I43 HydrophobicContact CD2-CG1 4.47Å; Y8-I43 HydrophobicContact CD2-CG2 4.36Å; Y8-I43 HydrophobicContact CE2-CG2 4.13Å; I11-I43 HydrophobicContact CD1-CD1 4.18Å; I11-I43 HydrophobicContact CG2-CD1 4.31Å; I11-I43 HydrophobicContact CG2-CG2 3.8Å; T39-I43 HydrophobicContact CG2-CD1 3.93Å; T39-I43 WeakPolarHBondContact O-CG1 3.49Å; T39-I43 PolarHBondContact O-N 3.21Å; I43-S45 PolarHBondContact O-N 3.11Å; I43-L46 PolarHBondContact O-N 3.13Å; I43-E47 HydrophobicContact CG2-CG 4.37Å; I43-E47 WeakPolarHBondContact O-CG 3.28Å; I43-E47 PolarHBondContact O-N 3.12Å; I43-F219 HydrophobicContact CD1-CD2 3.94Å; I43-F219 HydrophobicContact CD1-CE1 4.38Å; I43-F219 HydrophobicContact CD1-CE2 3.79Å; I43-F219 HydrophobicContact CD1-CG 4.32Å; I43-F219 HydrophobicContact CD1-CZ 4.03Å; I43-F219 HydrophobicContact CG1-CB 4.11Å; I43-F219 HydrophobicContact CG1-CD1 3.77Å; I43-F219 HydrophobicContact CG1-CD2 3.63Å; I43-F219 HydrophobicContact CG1-CE1 4.07Å; I43-F219 HydrophobicContact CG1-CE2 3.96Å; I43-F219 HydrophobicContact CG1-CG 3.54Å; I43-F219 HydrophobicContact CG1-CZ 4.17Å |
| 44 | F | 93.2 | Very high | 92.2 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 2% | 0.022 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.6 | -48.4 | 179.1 | 177.4 | -105.9 | 0 | 0 | 0 | 112 | T15 L18 P20 C24 L28 L40 L41 S42 L46 E47 Y48 C149 | T15-F44 HydrophobicContact CG2-CB 4.29Å; T15-F44 HydrophobicContact CG2-CD2 3.93Å; L18-F44 HydrophobicContact CB-CE2 4.23Å; P20-F44 HydrophobicContact CB-CZ 4.21Å; C24-F44 HydrophobicContact CB-CE1 4.29Å; C24-F44 HydrophobicContact CB-CE2 4.4Å; C24-F44 HydrophobicContact CB-CZ 4.13Å; L28-F44 HydrophobicContact CD1-CB 3.9Å; L28-F44 HydrophobicContact CD1-CD2 4.06Å; L28-F44 HydrophobicContact CD1-CG 4.09Å; L40-F44 VanDerWaalsContact O-CB 3.25Å; L40-F44 WeakPolarHBondContact O-CB 3.44Å; L40-F44 PolarHBondContact O-N 3.25Å; L41-F44 PolarHBondContact O-N 3.35Å; S42-F44 PolarHBondContact O-N 3.33Å; F44-L46 VanDerWaalsContact C-N 3.31Å; F44-L46 PolarHBondContact O-N 3.01Å; F44-E47 PolarHBondContact O-N 2.94Å; F44-Y48 VanDerWaalsContact O-CB 3.24Å; F44-Y48 WeakPolarHBondContact O-CB 3.5Å; F44-Y48 PolarHBondContact O-N 2.8Å; F44-C149 WeakPolarHBondContact CE1-SG 3.44Å |
| 45 | S | 90.7 | Very high | 92 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 178.8 | -167.6 | 0 | 0 | 0 | 0 | 111.9 | L41 S42 I43 Q49 K158 | L41-S45 WeakPolarHBondContact O-CB 3.42Å; L41-S45 PolarHBondContact O-N 3.36Å; S42-S45 PolarHBondContact O-N 2.93Å; I43-S45 PolarHBondContact O-N 3.11Å; S45-Q49 WeakPolarHBondContact O-CB 3.41Å; S45-Q49 PolarHBondContact O-N 3.14Å; S45-K158 VanDerWaalsContact OG-CE 3.31Å; S45-K158 WeakPolarHBondContact OG-CE 3.29Å; S45-K158 PolarHBondContact OG-NZ 2.97Å |
| 46 | L | 91.9 | Very high | 91.7 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 14% | 0.141 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64 | -50.6 | 177.6 | 179.3 | 71.2 | 0 | 0 | 0 | 112 | S42 I43 F44 Y48 Q49 K50 D221 | S42-L46 VanDerWaalsContact O-CB 3.32Å; S42-L46 WeakPolarHBondContact O-CB 3.32Å; S42-L46 PolarHBondContact O-N 3.48Å; I43-L46 PolarHBondContact O-N 3.13Å; F44-L46 VanDerWaalsContact C-N 3.31Å; F44-L46 PolarHBondContact O-N 3.01Å; L46-Y48 VanDerWaalsContact C-N 3.34Å; L46-Y48 PolarHBondContact O-N 2.99Å; L46-Q49 PolarHBondContact O-N 3.43Å; L46-K50 WeakPolarHBondContact O-CG 3.45Å; L46-K50 PolarHBondContact O-N 3.34Å; L46-D221 HydrophobicContact CD2-CB 3.66Å |
| 47 | E | 92.6 | Very high | 91.5 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.7 | -38.7 | 179.3 | -68.1 | -44 | 120.8 | 0 | 0 | 112 | Y8 A12 T15 I43 F44 Q49 K50 R51 | Y8-E47 PolarHBondContact OH-OE1 2.85Å; A12-E47 HydrophobicContact CB-CG 3.81Å; T15-E47 WeakPolarHBondContact OG1-CB 3.39Å; I43-E47 HydrophobicContact CG2-CG 4.37Å; I43-E47 WeakPolarHBondContact O-CG 3.28Å; I43-E47 PolarHBondContact O-N 3.12Å; F44-E47 PolarHBondContact O-N 2.94Å; E47-Q49 VanDerWaalsContact C-N 3.32Å; E47-Q49 PolarHBondContact O-N 3.34Å; E47-K50 PolarHBondContact O-N 3.5Å; E47-K50 IonicContact OE1-NZ 2.69Å; E47-K50 PolarHBondContact OE1-NZ 3.37Å; E47-K50 IonicContact OE2-NZ 3.74Å; E47-R51 WeakPolarHBondContact O-CB 2.85Å; E47-R51 PolarHBondContact O-N 2.87Å |
| 48 | Y | 89.6 | Confident | 91.5 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 174.1 | -175.6 | -94.1 | 0 | 0 | 0 | 112 | P20 F44 L46 R51 T52 S95 C149 | P20-Y48 HydrophobicContact CB-CD2 4Å; P20-Y48 HydrophobicContact CB-CE2 3.54Å; P20-Y48 HydrophobicContact CG-CD2 4.33Å; P20-Y48 HydrophobicContact CG-CE2 3.47Å; P20-Y48 VanDerWaalsContact CG-CE2 3.47Å; F44-Y48 VanDerWaalsContact O-CB 3.24Å; F44-Y48 WeakPolarHBondContact O-CB 3.5Å; F44-Y48 PolarHBondContact O-N 2.8Å; L46-Y48 VanDerWaalsContact C-N 3.34Å; L46-Y48 PolarHBondContact O-N 2.99Å; Y48-R51 PolarHBondContact O-N 3.26Å; Y48-T52 WeakPolarHBondContact CE1-OG1 3.46Å; Y48-T52 WeakPolarHBondContact O-CB 2.98Å; Y48-T52 PolarHBondContact O-N 2.84Å; Y48-T52 PolarHBondContact O-OG1 3.2Å; Y48-S95 VanDerWaalsContact OH-CA 3.23Å; Y48-S95 WeakPolarHBondContact OH-CA 3.46Å; Y48-S95 WeakPolarHBondContact OH-CB 3.46Å; Y48-S95 PolarHBondContact OH-N 3.47Å; Y48-C149 HydrophobicContact CD1-CB 3.08Å; Y48-C149 HydrophobicContact CE1-CB 3.37Å; Y48-C149 HydrophobicContact CG-CB 3.71Å |
| 49 | Q | 88.5 | Confident | 91.4 | Very high | 66 Ų | 66 | 41.5 Ų | 41.5 | 31% | 0.308 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.9 | -167.6 | -175.5 | 22 | 0 | 0 | 111.7 | S45 L46 E47 T52 K53 | S45-Q49 WeakPolarHBondContact O-CB 3.41Å; S45-Q49 PolarHBondContact O-N 3.14Å; L46-Q49 PolarHBondContact O-N 3.43Å; E47-Q49 VanDerWaalsContact C-N 3.32Å; E47-Q49 PolarHBondContact O-N 3.34Å; Q49-T52 PolarHBondContact O-N 3.38Å; Q49-K53 WeakPolarHBondContact O-CG 3.37Å; Q49-K53 PolarHBondContact O-N 2.79Å |
| 50 | K | 90.3 | Very high | 91.1 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 14% | 0.143 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.3 | -48 | 175.6 | -71.2 | 170.9 | -176.4 | 168.8 | 0 | 111.5 | Y8 L46 E47 T52 K53 R54 D221 | Y8-K50 PolarHBondContact OH-NZ 3.45Å; L46-K50 WeakPolarHBondContact O-CG 3.45Å; L46-K50 PolarHBondContact O-N 3.34Å; E47-K50 PolarHBondContact O-N 3.5Å; E47-K50 IonicContact OE1-NZ 2.69Å; E47-K50 PolarHBondContact OE1-NZ 3.37Å; E47-K50 IonicContact OE2-NZ 3.74Å; K50-T52 VanDerWaalsContact C-N 3.34Å; K50-T52 PolarHBondContact O-N 3.17Å; K50-K53 PolarHBondContact O-N 3.4Å; K50-R54 WeakPolarHBondContact O-CG 3.19Å; K50-R54 PolarHBondContact O-N 2.64Å; K50-D221 VanDerWaalsContact CE-OD2 3.23Å; K50-D221 WeakPolarHBondContact CE-OD2 3.43Å; K50-D221 IonicContact NZ-OD2 2.64Å; K50-D221 PolarHBondContact NZ-OD2 2.66Å |
| 51 | R | 88.1 | Confident | 91.1 | Very high | 55 Ų | 55 | 48.8 Ų | 48.8 | 21% | 0.208 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.3 | -52.1 | 175.1 | 177.7 | -170.8 | -176.9 | 150.5 | 9.8 | 110.7 | E16 E47 Y48 K53 R54 T55 D93 | E16-R51 PolarHBondContact O-NH1 2.94Å; E47-R51 WeakPolarHBondContact O-CB 2.85Å; E47-R51 PolarHBondContact O-N 2.87Å; Y48-R51 PolarHBondContact O-N 3.26Å; R51-K53 VanDerWaalsContact C-N 3.33Å; R51-K53 PolarHBondContact O-N 3.38Å; R51-R54 WeakPolarHBondContact O-CB 3.18Å; R51-R54 PolarHBondContact O-N 3.09Å; R51-R54 VanDerWaalsContact O-N 3.08Å; R51-T55 PolarHBondContact O-N 3.43Å; R51-T55 PolarHBondContact O-OG1 3.24Å; R51-T55 VanDerWaalsContact O-OG1 3.07Å; R51-D93 VanDerWaalsContact CZ-CG 3.45Å; R51-D93 IonicContact CZ-OD1 3.85Å; R51-D93 IonicContact CZ-OD2 3.53Å; R51-D93 IonicContact NE-OD1 3.9Å; R51-D93 PolarHBondContact NE-OD1 3.04Å; R51-D93 IonicContact NE-OD2 2.89Å; R51-D93 PolarHBondContact NE-OD2 2.94Å; R51-D93 IonicContact NH1-OD1 3.16Å; R51-D93 IonicContact NH2-OD1 3.71Å; R51-D93 PolarHBondContact NH2-OD1 3.43Å; R51-D93 IonicContact NH2-OD2 3.27Å; R51-D93 PolarHBondContact NH2-OD2 3.25Å |
| 52 | T | 88.6 | Confident | 91.1 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.5 | -45.2 | 179.3 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | Y48 Q49 K50 R54 T55 M56 L98 Y150 | Y48-T52 WeakPolarHBondContact CE1-OG1 3.46Å; Y48-T52 WeakPolarHBondContact O-CB 2.98Å; Y48-T52 PolarHBondContact O-N 2.84Å; Y48-T52 PolarHBondContact O-OG1 3.2Å; Q49-T52 PolarHBondContact O-N 3.38Å; K50-T52 VanDerWaalsContact C-N 3.34Å; K50-T52 PolarHBondContact O-N 3.17Å; T52-R54 PolarHBondContact O-N 3.15Å; T52-T55 PolarHBondContact O-N 3.2Å; T52-T55 PolarHBondContact O-OG1 3.03Å; T52-M56 HydrophobicContact CG2-CE 3.98Å; T52-M56 WeakPolarHBondContact O-CA 3.23Å; T52-M56 VanDerWaalsContact O-CB 3.31Å; T52-M56 WeakPolarHBondContact O-CB 3.35Å; T52-M56 PolarHBondContact O-N 3.44Å; T52-L98 HydrophobicContact CG2-CD1 3.24Å; T52-Y150 HydrophobicContact CG2-CD2 4.35Å; T52-Y150 HydrophobicContact CG2-CE2 4.36Å |
| 53 | K | 88.5 | Confident | 91.1 | Very high | 127 Ų | 127 | 55 Ų | 55 | 55% | 0.552 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.3 | -39.4 | 176.2 | -74.9 | 177 | 179.2 | 177.8 | 0 | 112.9 | Q49 K50 R51 | Q49-K53 WeakPolarHBondContact O-CG 3.37Å; Q49-K53 PolarHBondContact O-N 2.79Å; K50-K53 PolarHBondContact O-N 3.4Å; R51-K53 VanDerWaalsContact C-N 3.33Å; R51-K53 PolarHBondContact O-N 3.38Å |
| 54 | R | 90.1 | Very high | 91.1 | Very high | 156 Ų | 156 | 56.1 Ų | 56.1 | 59% | 0.589 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.7 | -35.4 | 178.4 | -67.5 | 174.3 | -159.5 | 157.5 | 6.7 | 112.2 | E16 K50 R51 T52 | E16-R54 IonicContact OE1-NH1 2.67Å; E16-R54 PolarHBondContact OE1-NH1 3.13Å; E16-R54 VanDerWaalsContact OE1-NH1 3.16Å; K50-R54 WeakPolarHBondContact O-CG 3.19Å; K50-R54 PolarHBondContact O-N 2.64Å; R51-R54 WeakPolarHBondContact O-CB 3.18Å; R51-R54 PolarHBondContact O-N 3.09Å; R51-R54 VanDerWaalsContact O-N 3.08Å; T52-R54 PolarHBondContact O-N 3.15Å |
| 55 | T | 88.8 | Confident | 91.1 | Very high | 25 Ų | 25 | 57.2 Ų | 57.2 | 15% | 0.153 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -95.5 | -17.8 | -175.1 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | R51 T52 S57 R58 H59 | R51-T55 PolarHBondContact O-N 3.43Å; R51-T55 PolarHBondContact O-OG1 3.24Å; R51-T55 VanDerWaalsContact O-OG1 3.07Å; T52-T55 PolarHBondContact O-N 3.2Å; T52-T55 PolarHBondContact O-OG1 3.03Å; T55-S57 VanDerWaalsContact C-N 3.28Å; T55-S57 PolarHBondContact O-N 3.22Å; T55-S57 VanDerWaalsContact O-N 3.11Å; T55-R58 WeakPolarHBondContact O-CD 3.5Å; T55-R58 WeakPolarHBondContact O-CG 3.42Å; T55-R58 PolarHBondContact O-N 2.81Å; T55-R58 VanDerWaalsContact O-N 3.14Å; T55-H59 PolarHBondContact O-CD2 3.4Å |
| 56 | M | 88.4 | Confident | 91.3 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 19% | 0.192 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -48.4 | -43.7 | -174 | -172.4 | 78.4 | 78.2 | 0 | 0 | 114.4 | T52 R58 H59 H60 L98 | T52-M56 HydrophobicContact CG2-CE 3.98Å; T52-M56 WeakPolarHBondContact O-CA 3.23Å; T52-M56 VanDerWaalsContact O-CB 3.31Å; T52-M56 WeakPolarHBondContact O-CB 3.35Å; T52-M56 PolarHBondContact O-N 3.44Å; M56-R58 VanDerWaalsContact C-N 3.26Å; M56-R58 PolarHBondContact O-N 3.17Å; M56-H59 PolarHBondContact O-N 2.85Å; M56-H59 VanDerWaalsContact O-N 3.1Å; M56-H60 PolarHBondContact O-ND1 3.29Å; M56-H60 VanDerWaalsContact SD-CE1 3.56Å; M56-L98 HydrophobicContact CE-CD1 3.41Å; M56-L98 VanDerWaalsContact CE-CD1 3.41Å; M56-L98 HydrophobicContact CE-CD2 3.75Å; M56-L98 HydrophobicContact CE-CG 4.22Å; M56-L98 HydrophobicContact SD-CD1 3.78Å; M56-L98 HydrophobicContact SD-CD2 4.06Å; M56-L98 HydrophobicContact SD-CG 4.43Å |
| 57 | S | 91.6 | Very high | 91.5 | Very high | 88 Ų | 88 | 65.4 Ų | 65.4 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.9 | -34.7 | -174.2 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | T55 H59 H60 | T55-S57 VanDerWaalsContact C-N 3.28Å; T55-S57 PolarHBondContact O-N 3.22Å; T55-S57 VanDerWaalsContact O-N 3.11Å; S57-H59 PolarHBondContact O-N 2.85Å; S57-H60 PolarHBondContact O-N 3.23Å; S57-H60 VanDerWaalsContact O-N 3.15Å |
| 58 | R | 92.8 | Very high | 91.8 | Very high | 114 Ų | 114 | 65.5 Ų | 65.5 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.6 | -25.3 | 179.1 | 87.5 | -160.4 | 171 | 170 | -5.6 | 112.8 | T55 M56 V92 D93 | T55-R58 WeakPolarHBondContact O-CD 3.5Å; T55-R58 WeakPolarHBondContact O-CG 3.42Å; T55-R58 PolarHBondContact O-N 2.81Å; T55-R58 VanDerWaalsContact O-N 3.14Å; M56-R58 VanDerWaalsContact C-N 3.26Å; M56-R58 PolarHBondContact O-N 3.17Å; R58-V92 PolarHBondContact NH2-O 3.16Å; R58-D93 PolarHBondContact NH2-O 3.4Å; R58-D93 IonicContact NH2-OD2 3.89Å |
| 59 | H | 92.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -89.1 | -11.7 | -179.6 | -58.2 | -72.3 | 0 | 0 | 0 | 113.1 | T55 M56 S57 M65 Y68 V92 L94 I102 | T55-H59 PolarHBondContact O-CD2 3.4Å; M56-H59 PolarHBondContact O-N 2.85Å; M56-H59 VanDerWaalsContact O-N 3.1Å; S57-H59 PolarHBondContact O-N 2.85Å; H59-M65 VanDerWaalsContact O-CG 3.25Å; H59-M65 WeakPolarHBondContact O-CG 3.47Å; H59-Y68 HydrophobicContact CB-CE2 4.37Å; H59-Y68 AromaticContact ND1-CE2 3.98Å; H59-Y68 AromaticContact ND1-CZ 3.89Å; H59-Y68 PolarHBondContact ND1-OH 2.8Å; H59-V92 PolarHBondContact CE1-O 3.12Å; H59-L94 HydrophobicContact CB-CD2 4.12Å; H59-I102 HydrophobicContact CB-CD1 3.96Å |
| 60 | H | 90.4 | Very high | 92.5 | Very high | 90 Ų | 90 | 66.9 Ų | 66.9 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -98.7 | 7.3 | 178.9 | -73.7 | 73.4 | 0 | 0 | 0 | 113 | M56 S57 | M56-H60 PolarHBondContact O-ND1 3.29Å; M56-H60 VanDerWaalsContact SD-CE1 3.56Å; S57-H60 PolarHBondContact O-N 3.23Å; S57-H60 VanDerWaalsContact O-N 3.15Å |
| 61 | V | 94.3 | Very high | 92.8 | Very high | 65 Ų | 65 | 69 Ų | 69 | 39% | 0.394 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -69.6 | 130.8 | 172.6 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | D63 V64 M65 | V61-D63 VanDerWaalsContact C-N 3.35Å; V61-D63 PolarHBondContact O-N 3.22Å; V61-V64 HydrophobicContact CB-CB 4.16Å; V61-V64 HydrophobicContact CB-CG2 3.97Å; V61-V64 HydrophobicContact CG1-CG2 4.35Å; V61-V64 WeakPolarHBondContact O-CB 3.41Å; V61-V64 PolarHBondContact O-N 2.92Å; V61-M65 PolarHBondContact O-N 2.93Å |
| 62 | P | 92.3 | Very high | 93.2 | Very high | 96 Ų | 96 | 66.6 Ų | 66.6 | 62% | 0.623 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -51.2 | -47.8 | -174.5 | -30.4 | 35.9 | 0 | 0 | 0 | 114.2 | V64 M65 E66 | P62-V64 VanDerWaalsContact C-N 3.27Å; P62-V64 PolarHBondContact O-N 3.47Å; P62-M65 PolarHBondContact O-N 2.91Å; P62-E66 WeakPolarHBondContact O-CB 3.3Å; P62-E66 PolarHBondContact O-N 2.64Å |
| 63 | D | 94.4 | Very high | 93.5 | Very high | 132 Ų | 132 | 68.4 Ų | 68.4 | 71% | 0.706 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.7 | -34.7 | 179.7 | -60.5 | -17.9 | 0 | 0 | 0 | 112.7 | V61 R67 | V61-D63 VanDerWaalsContact C-N 3.35Å; V61-D63 PolarHBondContact O-N 3.22Å; D63-R67 WeakPolarHBondContact O-CB 3.45Å; D63-R67 PolarHBondContact O-N 3.42Å |
| 64 | V | 95 | Very high | 93.9 | Very high | 24 Ų | 24 | 65.4 Ų | 65.4 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.3 | -44.6 | 178.9 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | V61 P62 E66 R67 Y68 | V61-V64 HydrophobicContact CB-CB 4.16Å; V61-V64 HydrophobicContact CB-CG2 3.97Å; V61-V64 HydrophobicContact CG1-CG2 4.35Å; V61-V64 WeakPolarHBondContact O-CB 3.41Å; V61-V64 PolarHBondContact O-N 2.92Å; P62-V64 VanDerWaalsContact C-N 3.27Å; P62-V64 PolarHBondContact O-N 3.47Å; V64-E66 VanDerWaalsContact C-N 3.33Å; V64-R67 PolarHBondContact O-N 2.87Å; V64-Y68 HydrophobicContact CG1-CD2 4.16Å; V64-Y68 HydrophobicContact CG1-CE1 4.07Å; V64-Y68 HydrophobicContact CG1-CE2 3.43Å; V64-Y68 VanDerWaalsContact CG1-CE2 3.43Å; V64-Y68 WeakPolarHBondContact CG1-OH 3.13Å; V64-Y68 WeakPolarHBondContact O-CD2 3.23Å; V64-Y68 VanDerWaalsContact O-CG 3.32Å; V64-Y68 PolarHBondContact O-N 3.32Å |
| 65 | M | 94.3 | Very high | 94.2 | Very high | 27 Ų | 27 | 60.6 Ų | 60.6 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 175.4 | -68.3 | 178.4 | 68.4 | 0 | 0 | 111 | H59 V61 P62 R67 Y68 Y69 I102 | H59-M65 VanDerWaalsContact O-CG 3.25Å; H59-M65 WeakPolarHBondContact O-CG 3.47Å; V61-M65 PolarHBondContact O-N 2.93Å; P62-M65 PolarHBondContact O-N 2.91Å; M65-R67 PolarHBondContact O-N 2.91Å; M65-Y68 PolarHBondContact O-N 2.91Å; M65-Y69 WeakPolarHBondContact O-CB 3.3Å; M65-Y69 PolarHBondContact O-N 2.84Å; M65-I102 HydrophobicContact CB-CG2 4.28Å; M65-I102 HydrophobicContact CE-CG2 3.94Å; M65-I102 HydrophobicContact CG-CG2 3.95Å |
| 66 | E | 95.1 | Very high | 94.4 | Very high | 61 Ų | 61 | 59.9 Ų | 59.9 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 178.9 | -168.8 | 57.2 | -144.3 | 0 | 0 | 111 | P62 V64 Y68 Y69 Q70 R106 | P62-E66 WeakPolarHBondContact O-CB 3.3Å; P62-E66 PolarHBondContact O-N 2.64Å; V64-E66 VanDerWaalsContact C-N 3.33Å; E66-Y68 VanDerWaalsContact C-N 3.35Å; E66-Y68 PolarHBondContact O-N 2.84Å; E66-Y69 PolarHBondContact O-N 3.07Å; E66-Q70 HydrophobicContact CG-CG 4.39Å; E66-Q70 WeakPolarHBondContact O-CB 3.46Å; E66-Q70 WeakPolarHBondContact O-CG 3.28Å; E66-Q70 PolarHBondContact O-N 3.33Å; E66-Q70 PolarHBondContact OE1-NE2 2.89Å; E66-R106 IonicContact OE1-NH2 2.87Å; E66-R106 IonicContact OE2-CZ 3.82Å; E66-R106 IonicContact OE2-NE 3.49Å; E66-R106 PolarHBondContact OE2-NE 2.75Å; E66-R106 IonicContact OE2-NH2 3.64Å; E66-R106 PolarHBondContact OE2-NH2 2.55Å |
| 67 | R | 96.6 | Very high | 94.6 | Very high | 152 Ų | 152 | 66.1 Ų | 66.1 | 57% | 0.574 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.4 | -42.5 | 173.4 | -178.1 | -179.4 | 61.2 | -163.3 | -3.7 | 112.6 | D63 V64 M65 Y69 R71 | D63-R67 WeakPolarHBondContact O-CB 3.45Å; D63-R67 PolarHBondContact O-N 3.42Å; V64-R67 PolarHBondContact O-N 2.87Å; M65-R67 PolarHBondContact O-N 2.91Å; R67-Y69 VanDerWaalsContact C-N 3.34Å; R67-R71 WeakPolarHBondContact O-CB 3.47Å; R67-R71 PolarHBondContact O-N 3.44Å; R67-R71 VanDerWaalsContact O-N 3.09Å |
| 68 | Y | 97.1 | Very high | 94.7 | Very high | 12 Ų | 12 | 68 Ų | 68 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 175.7 | -60.6 | -29.3 | 0 | 0 | 0 | 111.4 | H59 V64 M65 E66 R71 Y72 V92 M99 I102 | H59-Y68 HydrophobicContact CB-CE2 4.37Å; H59-Y68 AromaticContact ND1-CE2 3.98Å; H59-Y68 AromaticContact ND1-CZ 3.89Å; H59-Y68 PolarHBondContact ND1-OH 2.8Å; V64-Y68 HydrophobicContact CG1-CD2 4.16Å; V64-Y68 HydrophobicContact CG1-CE1 4.07Å; V64-Y68 HydrophobicContact CG1-CE2 3.43Å; V64-Y68 VanDerWaalsContact CG1-CE2 3.43Å; V64-Y68 WeakPolarHBondContact CG1-OH 3.13Å; V64-Y68 WeakPolarHBondContact O-CD2 3.23Å; V64-Y68 VanDerWaalsContact O-CG 3.32Å; V64-Y68 PolarHBondContact O-N 3.32Å; M65-Y68 PolarHBondContact O-N 2.91Å; E66-Y68 VanDerWaalsContact C-N 3.35Å; E66-Y68 PolarHBondContact O-N 2.84Å; Y68-R71 PolarHBondContact O-N 3.32Å; Y68-Y72 WeakPolarHBondContact O-CB 3.38Å; Y68-Y72 PolarHBondContact O-N 2.72Å; Y68-V92 HydrophobicContact CE1-CG1 3.83Å; Y68-M99 HydrophobicContact CD1-CE 4.44Å; Y68-M99 HydrophobicContact CD2-CE 4Å; Y68-M99 HydrophobicContact CD2-SD 4.04Å; Y68-M99 HydrophobicContact CE1-CE 4.48Å; Y68-M99 HydrophobicContact CE2-CE 4.01Å; Y68-M99 HydrophobicContact CG-CE 4.22Å; Y68-M99 HydrophobicContact CG-SD 4.22Å; Y68-I102 HydrophobicContact CD2-CG2 4.48Å |
| 69 | Y | 96.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 65.2 Ų | 65.2 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 179.3 | -172.5 | -117.9 | 0 | 0 | 0 | 112.6 | M65 E66 R67 R71 Y72 L73 I103 R106 F107 | M65-Y69 WeakPolarHBondContact O-CB 3.3Å; M65-Y69 PolarHBondContact O-N 2.84Å; E66-Y69 PolarHBondContact O-N 3.07Å; R67-Y69 VanDerWaalsContact C-N 3.34Å; Y69-R71 VanDerWaalsContact C-N 3.33Å; Y69-R71 PolarHBondContact O-N 2.89Å; Y69-Y72 HydrophobicContact CD2-CD1 4.36Å; Y69-Y72 HydrophobicContact CE2-CD1 4.35Å; Y69-Y72 WeakPolarHBondContact O-CB 3.49Å; Y69-Y72 PolarHBondContact O-N 2.86Å; Y69-L73 HydrophobicContact CD1-CD1 4.02Å; Y69-L73 HydrophobicContact CE1-CD1 3.6Å; Y69-L73 HydrophobicContact CE1-CG 4.28Å; Y69-L73 HydrophobicContact CE2-CD2 4.48Å; Y69-L73 HydrophobicContact CE2-CG 4.44Å; Y69-L73 WeakPolarHBondContact O-CG 3.48Å; Y69-L73 PolarHBondContact O-N 3.18Å; Y69-I103 HydrophobicContact CD2-CD1 4.34Å; Y69-I103 HydrophobicContact CD2-CG2 4.29Å; Y69-R106 HydrophobicContact CD1-CG 3.77Å; Y69-R106 HydrophobicContact CD2-CB 4.31Å; Y69-R106 HydrophobicContact CD2-CG 3.87Å; Y69-R106 HydrophobicContact CE1-CG 4.18Å; Y69-R106 HydrophobicContact CE2-CG 4.3Å; Y69-R106 HydrophobicContact CG-CB 4.44Å; Y69-R106 HydrophobicContact CG-CG 3.6Å; Y69-F107 HydrophobicContact CE2-CB 4.1Å; Y69-F107 HydrophobicContact CE2-CD2 4.23Å |
| 70 | Q | 96.6 | Very high | 94.6 | Very high | 98 Ų | 98 | 68.1 Ų | 68.1 | 46% | 0.458 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 176.6 | -69.5 | -56.3 | -35.2 | 0 | 0 | 112.1 | E66 L73 S74 | E66-Q70 HydrophobicContact CG-CG 4.39Å; E66-Q70 WeakPolarHBondContact O-CB 3.46Å; E66-Q70 WeakPolarHBondContact O-CG 3.28Å; E66-Q70 PolarHBondContact O-N 3.33Å; E66-Q70 PolarHBondContact OE1-NE2 2.89Å; Q70-L73 PolarHBondContact O-N 3.13Å; Q70-S74 PolarHBondContact O-N 2.87Å; Q70-S74 PolarHBondContact O-OG 2.91Å |
| 71 | R | 96.3 | Very high | 94.6 | Very high | 77 Ų | 77 | 69.4 Ų | 69.4 | 29% | 0.291 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 175.7 | -175.5 | 159.8 | 166.4 | -154 | -3.8 | 112 | R67 Y68 Y69 L73 S74 E75 L88 E91 | R67-R71 WeakPolarHBondContact O-CB 3.47Å; R67-R71 PolarHBondContact O-N 3.44Å; R67-R71 VanDerWaalsContact O-N 3.09Å; Y68-R71 PolarHBondContact O-N 3.32Å; Y69-R71 VanDerWaalsContact C-N 3.33Å; Y69-R71 PolarHBondContact O-N 2.89Å; R71-L73 PolarHBondContact O-N 3.38Å; R71-S74 WeakPolarHBondContact CA-OG 3.32Å; R71-S74 PolarHBondContact O-N 3.09Å; R71-S74 PolarHBondContact O-OG 2.82Å; R71-E75 WeakPolarHBondContact CD-OE1 3.49Å; R71-E75 HydrophobicContact CG-CG 4.32Å; R71-E75 VanDerWaalsContact CG-OE1 3.24Å; R71-E75 WeakPolarHBondContact CG-OE1 3.27Å; R71-E75 IonicContact CZ-OE1 2.63Å; R71-E75 IonicContact NE-OE1 3.23Å; R71-E75 PolarHBondContact NE-OE1 3.1Å; R71-E75 IonicContact NH2-OE1 3.03Å; R71-E75 WeakPolarHBondContact O-CB 3.3Å; R71-E75 WeakPolarHBondContact O-CG 3.42Å; R71-E75 PolarHBondContact O-N 3.41Å; R71-L88 HydrophobicContact CG-CD2 4.05Å; R71-E91 IonicContact CZ-OE1 3.87Å; R71-E91 IonicContact CZ-OE2 2.6Å; R71-E91 IonicContact NH1-OE1 2.65Å; R71-E91 IonicContact NH1-OE2 3.35Å; R71-E91 PolarHBondContact NH1-OE2 2.9Å; R71-E91 IonicContact NH2-OE1 2.78Å; R71-E91 PolarHBondContact NH2-OE1 3.12Å; R71-E91 IonicContact NH2-OE2 2.65Å; R71-E91 PolarHBondContact NH2-OE2 2.84Å |
| 72 | Y | 97.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.016 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54.5 | -51.5 | 171.7 | 165.7 | -101.6 | 0 | 0 | 0 | 111.6 | Y68 Y69 S74 T76 L85 I103 L136 N139 | Y68-Y72 WeakPolarHBondContact O-CB 3.38Å; Y68-Y72 PolarHBondContact O-N 2.72Å; Y69-Y72 HydrophobicContact CD2-CD1 4.36Å; Y69-Y72 HydrophobicContact CE2-CD1 4.35Å; Y69-Y72 WeakPolarHBondContact O-CB 3.49Å; Y69-Y72 PolarHBondContact O-N 2.86Å; Y72-S74 PolarHBondContact O-N 2.76Å; Y72-T76 HydrophobicContact CD2-CG2 3.73Å; Y72-T76 HydrophobicContact CE2-CG2 3.45Å; Y72-T76 VanDerWaalsContact CE2-CG2 3.45Å; Y72-T76 WeakPolarHBondContact O-CB 3.36Å; Y72-T76 WeakPolarHBondContact O-CG2 3.47Å; Y72-T76 PolarHBondContact O-N 3.42Å; Y72-T76 PolarHBondContact O-OG1 3.15Å; Y72-L85 HydrophobicContact CD2-CD2 3.47Å; Y72-L85 VanDerWaalsContact CD2-CD2 3.47Å; Y72-L85 HydrophobicContact CD2-CG 3.98Å; Y72-L85 HydrophobicContact CE2-CD2 4.24Å; Y72-L85 HydrophobicContact CE2-CG 4.31Å; Y72-L85 HydrophobicContact CG-CD2 3.99Å; Y72-I103 HydrophobicContact CD1-CG2 4.06Å; Y72-I103 HydrophobicContact CE1-CG2 4.4Å; Y72-I103 HydrophobicContact CG-CG2 4.16Å; Y72-L136 HydrophobicContact CE1-CD1 4.39Å; Y72-L136 HydrophobicContact CE2-CD1 4.24Å; Y72-L136 VanDerWaalsContact OH-CA 3.26Å; Y72-L136 WeakPolarHBondContact OH-CA 3.42Å; Y72-L136 VanDerWaalsContact OH-CB 3.29Å; Y72-L136 WeakPolarHBondContact OH-CB 3.47Å; Y72-L136 PolarHBondContact OH-N 3.17Å; Y72-N139 HydrophobicContact CE2-CB 4.45Å |
| 73 | L | 95.5 | Very high | 94.6 | Very high | 42 Ų | 42 | 64.6 Ų | 64.6 | 22% | 0.22 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 179.1 | -68.6 | 178.1 | 0 | 0 | 0 | 112.8 | Y69 Q70 R71 T76 K77 | Y69-L73 HydrophobicContact CD1-CD1 4.02Å; Y69-L73 HydrophobicContact CE1-CD1 3.6Å; Y69-L73 HydrophobicContact CE1-CG 4.28Å; Y69-L73 HydrophobicContact CE2-CD2 4.48Å; Y69-L73 HydrophobicContact CE2-CG 4.44Å; Y69-L73 WeakPolarHBondContact O-CG 3.48Å; Y69-L73 PolarHBondContact O-N 3.18Å; Q70-L73 PolarHBondContact O-N 3.13Å; R71-L73 PolarHBondContact O-N 3.38Å; L73-T76 PolarHBondContact O-OG1 2.69Å; L73-K77 VanDerWaalsContact O-CD 3.32Å; L73-K77 WeakPolarHBondContact O-CD 3.36Å; L73-K77 WeakPolarHBondContact O-CG 3.37Å; L73-K77 PolarHBondContact O-N 3.48Å |
| 74 | S | 96.3 | Very high | 94.7 | Very high | 63 Ų | 63 | 58.3 Ų | 58.3 | 44% | 0.441 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70 | -43.2 | -178.8 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | Q70 R71 Y72 | Q70-S74 PolarHBondContact O-N 2.87Å; Q70-S74 PolarHBondContact O-OG 2.91Å; R71-S74 WeakPolarHBondContact CA-OG 3.32Å; R71-S74 PolarHBondContact O-N 3.09Å; R71-S74 PolarHBondContact O-OG 2.82Å; Y72-S74 PolarHBondContact O-N 2.76Å |
| 75 | E | 95.5 | Very high | 94.7 | Very high | 56 Ų | 56 | 57.2 Ų | 57.2 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -78.6 | -37.6 | -174.2 | -70.2 | -178.2 | -164.6 | 0 | 0 | 111.9 | R71 K77 V78 C79 V84 | R71-E75 WeakPolarHBondContact CD-OE1 3.49Å; R71-E75 HydrophobicContact CG-CG 4.32Å; R71-E75 VanDerWaalsContact CG-OE1 3.24Å; R71-E75 WeakPolarHBondContact CG-OE1 3.27Å; R71-E75 IonicContact CZ-OE1 2.63Å; R71-E75 IonicContact NE-OE1 3.23Å; R71-E75 PolarHBondContact NE-OE1 3.1Å; R71-E75 IonicContact NH2-OE1 3.03Å; R71-E75 WeakPolarHBondContact O-CB 3.3Å; R71-E75 WeakPolarHBondContact O-CG 3.42Å; R71-E75 PolarHBondContact O-N 3.41Å; E75-K77 VanDerWaalsContact C-N 3.28Å; E75-K77 PolarHBondContact O-N 2.94Å; E75-V78 PolarHBondContact O-N 3.41Å; E75-V78 VanDerWaalsContact O-N 3.07Å; E75-C79 PolarHBondContact O-N 3Å; E75-V84 HydrophobicContact CB-CG1 4.08Å; E75-V84 HydrophobicContact CB-CG2 3.73Å; E75-V84 WeakPolarHBondContact OE2-CG1 3.37Å |
| 76 | T | 93.9 | Very high | 94.7 | Very high | 10 Ų | 10 | 57.1 Ų | 57.1 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.1 | -27.7 | 175.7 | 53.3 | 0 | 0 | 0 | 0 | 113.3 | Y72 L73 V78 C79 P80 V84 I135 | Y72-T76 HydrophobicContact CD2-CG2 3.73Å; Y72-T76 HydrophobicContact CE2-CG2 3.45Å; Y72-T76 VanDerWaalsContact CE2-CG2 3.45Å; Y72-T76 WeakPolarHBondContact O-CB 3.36Å; Y72-T76 WeakPolarHBondContact O-CG2 3.47Å; Y72-T76 PolarHBondContact O-N 3.42Å; Y72-T76 PolarHBondContact O-OG1 3.15Å; L73-T76 PolarHBondContact O-OG1 2.69Å; T76-V78 VanDerWaalsContact C-N 3.29Å; T76-V78 PolarHBondContact O-N 2.9Å; T76-C79 CarbonylContact O-C 3.57Å; T76-P80 WeakPolarHBondContact O-CA 3.45Å; T76-P80 WeakPolarHBondContact O-CD 3.44Å; T76-P80 WeakPolarHBondContact O-CG 3.33Å; T76-V84 HydrophobicContact CG2-CB 4.46Å; T76-V84 HydrophobicContact CG2-CG2 3.99Å; T76-I135 HydrophobicContact CG2-CG2 3.7Å |
| 77 | K | 92.8 | Very high | 94.7 | Very high | 170 Ų | 170 | 58.3 Ų | 58.3 | 74% | 0.739 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.3 | -33.9 | 170 | -78.4 | 172.2 | -173.5 | 179.2 | 0 | 112.6 | L73 E75 | L73-K77 VanDerWaalsContact O-CD 3.32Å; L73-K77 WeakPolarHBondContact O-CD 3.36Å; L73-K77 WeakPolarHBondContact O-CG 3.37Å; L73-K77 PolarHBondContact O-N 3.48Å; E75-K77 VanDerWaalsContact C-N 3.28Å; E75-K77 PolarHBondContact O-N 2.94Å |
| 78 | V | 93.8 | Very high | 94.6 | Very high | 127 Ų | 127 | 51.1 Ų | 51.1 | 77% | 0.77 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -83.3 | -45.9 | -179.9 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | E75 T76 | E75-V78 PolarHBondContact O-N 3.41Å; E75-V78 VanDerWaalsContact O-N 3.07Å; T76-V78 VanDerWaalsContact C-N 3.29Å; T76-V78 PolarHBondContact O-N 2.9Å |
| 79 | C | 92.5 | Very high | 94.4 | Very high | 55 Ų | 55 | 50.6 Ų | 50.6 | 37% | 0.372 | 27% | 0.274 | S | S | . | . | trans | -136.4 | 91.7 | -179.2 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | E75 T76 T81 A82 | E75-C79 PolarHBondContact O-N 3Å; T76-C79 CarbonylContact O-C 3.57Å; C79-T81 PolarHBondContact O-N 2.88Å; C79-T81 VanDerWaalsContact O-N 3.14Å; C79-A82 HydrophobicContact CB-CB 3.97Å; C79-A82 WeakPolarHBondContact O-CB 3.24Å; C79-A82 PolarHBondContact O-N 3.26Å; C79-A82 VanDerWaalsContact O-N 3.13Å | ||
| 80 | P | 89.8 | Confident | 94 | Very high | 64 Ų | 64 | 53.3 Ų | 53.3 | 42% | 0.416 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.2 | -177.1 | -27.4 | 35.5 | 0 | 0 | 0 | 115.1 | T76 I135 | T76-P80 WeakPolarHBondContact O-CA 3.45Å; T76-P80 WeakPolarHBondContact O-CD 3.44Å; T76-P80 WeakPolarHBondContact O-CG 3.33Å; P80-I135 HydrophobicContact CB-CD1 3.89Å; P80-I135 HydrophobicContact CB-CG1 4.15Å |
| 81 | T | 90.4 | Very high | 93.8 | Very high | 116 Ų | 116 | 53.9 Ų | 53.9 | 71% | 0.712 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -6 | -178.5 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | C79 | C79-T81 PolarHBondContact O-N 2.88Å; C79-T81 VanDerWaalsContact O-N 3.14Å |
| 82 | A | 92.3 | Very high | 93.5 | Very high | 20 Ų | 20 | 51.8 Ų | 51.8 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -66.7 | 139.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | C79 V84 N139 | C79-A82 HydrophobicContact CB-CB 3.97Å; C79-A82 WeakPolarHBondContact O-CB 3.24Å; C79-A82 PolarHBondContact O-N 3.26Å; C79-A82 VanDerWaalsContact O-N 3.13Å; A82-V84 HydrophobicContact CB-CG2 3.91Å; A82-V84 PolarHBondContact O-N 2.89Å; A82-N139 PolarHBondContact O-ND2 3.1Å; A82-N139 PolarHBondContact O-OD1 3.31Å |
| 83 | P | 93.9 | Very high | 93 | Very high | 41 Ų | 41 | 53.3 Ų | 53.3 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | trans | -81.5 | 53.6 | 178.3 | 37.1 | -37 | 0 | 0 | 0 | 111 | L85 L86 E87 | P83-L85 VanDerWaalsContact C-N 3.26Å; P83-L85 PolarHBondContact O-N 3.26Å; P83-L85 VanDerWaalsContact O-N 3.16Å; P83-L86 HydrophobicContact CB-CB 4.19Å; P83-L86 HydrophobicContact CB-CD2 4.45Å; P83-L86 WeakPolarHBondContact O-CB 3.36Å; P83-L86 PolarHBondContact O-N 2.54Å; P83-E87 HydrophobicContact CG-CG 4.38Å; P83-E87 PolarHBondContact O-N 2.93Å | ||
| 84 | V | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -51.2 | -44.2 | -171.9 | 178.6 | 0 | 0 | 0 | 0 | 112 | E75 T76 A82 L86 E87 L88 N139 | E75-V84 HydrophobicContact CB-CG1 4.08Å; E75-V84 HydrophobicContact CB-CG2 3.73Å; E75-V84 WeakPolarHBondContact OE2-CG1 3.37Å; T76-V84 HydrophobicContact CG2-CB 4.46Å; T76-V84 HydrophobicContact CG2-CG2 3.99Å; A82-V84 HydrophobicContact CB-CG2 3.91Å; A82-V84 PolarHBondContact O-N 2.89Å; V84-L86 VanDerWaalsContact C-N 3.35Å; V84-L86 PolarHBondContact O-N 3.02Å; V84-E87 PolarHBondContact O-N 2.81Å; V84-L88 HydrophobicContact CG1-CD1 3.92Å; V84-L88 HydrophobicContact CG1-CG 4.3Å; V84-L88 WeakPolarHBondContact O-CB 3.48Å; V84-L88 VanDerWaalsContact O-CG 3.26Å; V84-L88 WeakPolarHBondContact O-CG 3.38Å; V84-L88 PolarHBondContact O-N 2.93Å; V84-N139 PolarHBondContact N-OD1 3.05Å |
| 85 | L | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.2 | -35.9 | -178.7 | -61.9 | -165.3 | 0 | 0 | 0 | 113.2 | Y72 P83 L88 A89 M99 I103 L136 N139 I140 C143 | Y72-L85 HydrophobicContact CD2-CD2 3.47Å; Y72-L85 VanDerWaalsContact CD2-CD2 3.47Å; Y72-L85 HydrophobicContact CD2-CG 3.98Å; Y72-L85 HydrophobicContact CE2-CD2 4.24Å; Y72-L85 HydrophobicContact CE2-CG 4.31Å; Y72-L85 HydrophobicContact CG-CD2 3.99Å; P83-L85 VanDerWaalsContact C-N 3.26Å; P83-L85 PolarHBondContact O-N 3.26Å; P83-L85 VanDerWaalsContact O-N 3.16Å; L85-L88 HydrophobicContact CD2-CD1 4.18Å; L85-A89 VanDerWaalsContact O-CB 3.3Å; L85-A89 WeakPolarHBondContact O-CB 3.48Å; L85-A89 PolarHBondContact O-N 3.29Å; L85-M99 HydrophobicContact CB-CG 4.45Å; L85-M99 WeakPolarHBondContact O-CG 3.44Å; L85-I103 HydrophobicContact CD1-CB 4.12Å; L85-I103 HydrophobicContact CD1-CG1 4.38Å; L85-I103 HydrophobicContact CD1-CG2 4.1Å; L85-I103 HydrophobicContact CD2-CB 4.23Å; L85-I103 HydrophobicContact CD2-CG1 3.69Å; L85-I103 HydrophobicContact CD2-CG2 4.15Å; L85-L136 HydrophobicContact CD1-CD1 4.19Å; L85-N139 HydrophobicContact CB-CB 4.3Å; L85-N139 HydrophobicContact CD1-CB 3.85Å; L85-N139 HydrophobicContact CG-CB 3.81Å; L85-N139 PolarHBondContact N-OD1 3.46Å; L85-N139 VanDerWaalsContact N-OD1 3.13Å; L85-I140 HydrophobicContact CD1-CG1 4.32Å; L85-C143 VanDerWaalsContact CB-SG 3.51Å |
| 86 | L | 93.8 | Very high | 92.3 | Very high | 25 Ų | 25 | 46 Ų | 46 | 13% | 0.131 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.6 | -42.2 | 176.8 | 177.4 | 61.3 | 0 | 0 | 0 | 110.6 | P83 V84 A89 N90 P96 N146 | P83-L86 HydrophobicContact CB-CB 4.19Å; P83-L86 HydrophobicContact CB-CD2 4.45Å; P83-L86 WeakPolarHBondContact O-CB 3.36Å; P83-L86 PolarHBondContact O-N 2.54Å; V84-L86 VanDerWaalsContact C-N 3.35Å; V84-L86 PolarHBondContact O-N 3.02Å; L86-A89 PolarHBondContact O-N 2.78Å; L86-N90 VanDerWaalsContact O-CG 3.28Å; L86-N90 PolarHBondContact O-N 2.88Å; L86-N90 PolarHBondContact O-ND2 3.26Å; L86-P96 HydrophobicContact CD1-CB 3.89Å; L86-P96 HydrophobicContact CD1-CG 3.6Å; L86-N146 HydrophobicContact CD1-CB 3.83Å; L86-N146 HydrophobicContact CD2-CB 3.99Å |
| 87 | E | 93.8 | Very high | 92.2 | Very high | 86 Ų | 86 | 46.1 Ų | 46.1 | 40% | 0.402 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63 | -48.6 | 176.6 | -69.1 | 178.1 | -175 | 0 | 0 | 111.1 | P83 V84 A89 N90 E91 | P83-E87 HydrophobicContact CG-CG 4.38Å; P83-E87 PolarHBondContact O-N 2.93Å; V84-E87 PolarHBondContact O-N 2.81Å; E87-A89 VanDerWaalsContact C-N 3.33Å; E87-A89 PolarHBondContact O-N 2.87Å; E87-N90 PolarHBondContact O-N 3.42Å; E87-E91 WeakPolarHBondContact O-CG 3.49Å; E87-E91 PolarHBondContact O-N 3.03Å |
| 88 | L | 94.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.7 | -48.3 | 174.4 | -75.4 | 173.7 | 0 | 0 | 0 | 112 | R71 V84 L85 N90 E91 V92 M99 | R71-L88 HydrophobicContact CG-CD2 4.05Å; V84-L88 HydrophobicContact CG1-CD1 3.92Å; V84-L88 HydrophobicContact CG1-CG 4.3Å; V84-L88 WeakPolarHBondContact O-CB 3.48Å; V84-L88 VanDerWaalsContact O-CG 3.26Å; V84-L88 WeakPolarHBondContact O-CG 3.38Å; V84-L88 PolarHBondContact O-N 2.93Å; L85-L88 HydrophobicContact CD2-CD1 4.18Å; L88-N90 VanDerWaalsContact C-N 3.31Å; L88-N90 PolarHBondContact O-N 3.25Å; L88-E91 PolarHBondContact O-N 3.49Å; L88-V92 VanDerWaalsContact O-CG2 3.22Å; L88-V92 WeakPolarHBondContact O-CG2 3.43Å; L88-V92 PolarHBondContact O-N 2.89Å; L88-V92 VanDerWaalsContact O-N 3.08Å; L88-M99 HydrophobicContact CB-CE 3.95Å; L88-M99 HydrophobicContact CB-CG 4.37Å; L88-M99 HydrophobicContact CB-SD 4.34Å |
| 89 | A | 92.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.9 | -45.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L85 L86 E87 D93 L94 P96 M99 | L85-A89 VanDerWaalsContact O-CB 3.3Å; L85-A89 WeakPolarHBondContact O-CB 3.48Å; L85-A89 PolarHBondContact O-N 3.29Å; L86-A89 PolarHBondContact O-N 2.78Å; E87-A89 VanDerWaalsContact C-N 3.33Å; E87-A89 PolarHBondContact O-N 2.87Å; A89-D93 PolarHBondContact O-N 3.43Å; A89-L94 CarbonylContact C-O 3.5Å; A89-L94 WeakPolarHBondContact CB-O 3.31Å; A89-L94 PolarHBondContact O-N 2.81Å; A89-L94 VanDerWaalsContact O-O 3.14Å; A89-P96 HydrophobicContact CB-CB 4.32Å; A89-P96 HydrophobicContact CB-CG 4.22Å; A89-M99 HydrophobicContact CB-CB 3.73Å; A89-M99 HydrophobicContact CB-CG 4.16Å |
| 90 | N | 90 | Very high | 92.4 | Very high | 63 Ų | 63 | 29.8 Ų | 29.8 | 34% | 0.337 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67 | -37.5 | 179 | -72.7 | -38.7 | 0 | 0 | 0 | 113.1 | L86 E87 L88 | L86-N90 VanDerWaalsContact O-CG 3.28Å; L86-N90 PolarHBondContact O-N 2.88Å; L86-N90 PolarHBondContact O-ND2 3.26Å; E87-N90 PolarHBondContact O-N 3.42Å; L88-N90 VanDerWaalsContact C-N 3.31Å; L88-N90 PolarHBondContact O-N 3.25Å |
| 91 | E | 91.2 | Very high | 92.6 | Very high | 111 Ų | 111 | 30.2 Ų | 30.2 | 52% | 0.519 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -67.5 | -41.1 | 178.5 | -74.9 | 178.2 | -165.5 | 0 | 0 | 112.6 | R71 E87 L88 D93 | R71-E91 IonicContact CZ-OE1 3.87Å; R71-E91 IonicContact CZ-OE2 2.6Å; R71-E91 IonicContact NH1-OE1 2.65Å; R71-E91 IonicContact NH1-OE2 3.35Å; R71-E91 PolarHBondContact NH1-OE2 2.9Å; R71-E91 IonicContact NH2-OE1 2.78Å; R71-E91 PolarHBondContact NH2-OE1 3.12Å; R71-E91 IonicContact NH2-OE2 2.65Å; R71-E91 PolarHBondContact NH2-OE2 2.84Å; E87-E91 WeakPolarHBondContact O-CG 3.49Å; E87-E91 PolarHBondContact O-N 3.03Å; L88-E91 PolarHBondContact O-N 3.49Å; E91-D93 VanDerWaalsContact C-N 3.35Å |
| 92 | V | 90.4 | Very high | 92.8 | Very high | 33 Ų | 33 | 25 Ų | 25 | 20% | 0.2 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -94.3 | 4.3 | -176.6 | -56.1 | 0 | 0 | 0 | 0 | 113.5 | R58 H59 Y68 L88 L94 M99 | R58-V92 PolarHBondContact NH2-O 3.16Å; H59-V92 PolarHBondContact CE1-O 3.12Å; Y68-V92 HydrophobicContact CE1-CG1 3.83Å; L88-V92 VanDerWaalsContact O-CG2 3.22Å; L88-V92 WeakPolarHBondContact O-CG2 3.43Å; L88-V92 PolarHBondContact O-N 2.89Å; L88-V92 VanDerWaalsContact O-N 3.08Å; V92-L94 HydrophobicContact CG2-CB 3.87Å; V92-M99 HydrophobicContact CG2-CE 3.58Å |
| 93 | D | 86.4 | Confident | 93 | Very high | 36 Ų | 36 | 24 Ų | 24 | 19% | 0.193 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 54 | -179.9 | 179.5 | 58.9 | 0 | 0 | 0 | 111.8 | R51 R58 A89 E91 | R51-D93 VanDerWaalsContact CZ-CG 3.45Å; R51-D93 IonicContact CZ-OD1 3.85Å; R51-D93 IonicContact CZ-OD2 3.53Å; R51-D93 IonicContact NE-OD1 3.9Å; R51-D93 PolarHBondContact NE-OD1 3.04Å; R51-D93 IonicContact NE-OD2 2.89Å; R51-D93 PolarHBondContact NE-OD2 2.94Å; R51-D93 IonicContact NH1-OD1 3.16Å; R51-D93 IonicContact NH2-OD1 3.71Å; R51-D93 PolarHBondContact NH2-OD1 3.43Å; R51-D93 IonicContact NH2-OD2 3.27Å; R51-D93 PolarHBondContact NH2-OD2 3.25Å; R58-D93 PolarHBondContact NH2-O 3.4Å; R58-D93 IonicContact NH2-OD2 3.89Å; A89-D93 PolarHBondContact O-N 3.43Å; E91-D93 VanDerWaalsContact C-N 3.35Å |
| 94 | L | 89.6 | Confident | 93.1 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | trans | -120.5 | 149.8 | 173.2 | -176.9 | 60.7 | 0 | 0 | 0 | 108.6 | H59 A89 V92 L98 M99 I102 | H59-L94 HydrophobicContact CB-CD2 4.12Å; A89-L94 CarbonylContact C-O 3.5Å; A89-L94 WeakPolarHBondContact CB-O 3.31Å; A89-L94 PolarHBondContact O-N 2.81Å; A89-L94 VanDerWaalsContact O-O 3.14Å; V92-L94 HydrophobicContact CG2-CB 3.87Å; L94-L98 HydrophobicContact CD1-CB 3.78Å; L94-L98 HydrophobicContact CD1-CD1 3.81Å; L94-L98 HydrophobicContact CD1-CG 4.49Å; L94-L98 HydrophobicContact CD2-CB 4.18Å; L94-L98 HydrophobicContact CG-CB 3.88Å; L94-M99 HydrophobicContact CD2-CB 4.23Å; L94-M99 HydrophobicContact CD2-CE 4.11Å; L94-I102 HydrophobicContact CD2-CD1 3.76Å | ||
| 95 | S | 90.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -59.8 | 135.8 | 173 | 125.2 | 0 | 0 | 0 | 0 | 110.7 | Y48 T97 L98 M99 D147 Y150 | Y48-S95 VanDerWaalsContact OH-CA 3.23Å; Y48-S95 WeakPolarHBondContact OH-CA 3.46Å; Y48-S95 WeakPolarHBondContact OH-CB 3.46Å; Y48-S95 PolarHBondContact OH-N 3.47Å; S95-T97 PolarHBondContact O-N 2.77Å; S95-T97 PolarHBondContact OG-N 3.21Å; S95-L98 WeakPolarHBondContact O-CB 3.23Å; S95-L98 PolarHBondContact O-N 3.31Å; S95-L98 PolarHBondContact OG-N 3Å; S95-L98 VanDerWaalsContact OG-N 3.15Å; S95-M99 PolarHBondContact O-N 3.49Å; S95-D147 WeakPolarHBondContact CB-OD2 3.3Å; S95-D147 PolarHBondContact OG-OD2 2.67Å; S95-Y150 WeakPolarHBondContact OG-CB 3.23Å | ||
| 96 | P | 93.1 | Very high | 92.8 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.032 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -50.2 | -43.3 | 174.5 | -29.8 | 34.6 | 0 | 0 | 0 | 113.1 | L86 A89 L98 M99 A100 C143 D147 | L86-P96 HydrophobicContact CD1-CB 3.89Å; L86-P96 HydrophobicContact CD1-CG 3.6Å; A89-P96 HydrophobicContact CB-CB 4.32Å; A89-P96 HydrophobicContact CB-CG 4.22Å; P96-L98 VanDerWaalsContact C-N 3.33Å; P96-L98 PolarHBondContact O-N 3.5Å; P96-M99 PolarHBondContact O-N 2.94Å; P96-A100 WeakPolarHBondContact O-CB 3.45Å; P96-A100 PolarHBondContact O-N 2.97Å; P96-C143 HydrophobicContact CB-CB 3.76Å; P96-C143 WeakPolarHBondContact O-CB 3.4Å; P96-D147 HydrophobicContact CB-CB 4.24Å; P96-D147 VanDerWaalsContact CD-OD2 3.23Å; P96-D147 WeakPolarHBondContact CD-OD2 3.28Å; P96-D147 HydrophobicContact CG-CB 4.37Å |
| 97 | T | 92.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 7% | 0.067 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.5 | -36.4 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 112.6 | S95 R101 D147 Y150 | S95-T97 PolarHBondContact O-N 2.77Å; S95-T97 PolarHBondContact OG-N 3.21Å; T97-R101 WeakPolarHBondContact O-CB 3.37Å; T97-R101 PolarHBondContact O-N 3.11Å; T97-D147 WeakPolarHBondContact CB-OD2 3.43Å; T97-D147 PolarHBondContact N-OD2 3.01Å; T97-D147 WeakPolarHBondContact OG1-CB 3.34Å; T97-D147 PolarHBondContact OG1-OD2 3.4Å; T97-D147 VanDerWaalsContact OG1-OD2 3.13Å; T97-Y150 WeakPolarHBondContact CB-O 3.32Å; T97-Y150 PolarHBondContact OG1-O 3.19Å |
| 98 | L | 92.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 5% | 0.052 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70.9 | -37.7 | 176.3 | -71.6 | 172.6 | 0 | 0 | 0 | 112.3 | T52 M56 L94 S95 P96 R101 I102 Y150 | T52-L98 HydrophobicContact CG2-CD1 3.24Å; M56-L98 HydrophobicContact CE-CD1 3.41Å; M56-L98 VanDerWaalsContact CE-CD1 3.41Å; M56-L98 HydrophobicContact CE-CD2 3.75Å; M56-L98 HydrophobicContact CE-CG 4.22Å; M56-L98 HydrophobicContact SD-CD1 3.78Å; M56-L98 HydrophobicContact SD-CD2 4.06Å; M56-L98 HydrophobicContact SD-CG 4.43Å; L94-L98 HydrophobicContact CD1-CB 3.78Å; L94-L98 HydrophobicContact CD1-CD1 3.81Å; L94-L98 HydrophobicContact CD1-CG 4.49Å; L94-L98 HydrophobicContact CD2-CB 4.18Å; L94-L98 HydrophobicContact CG-CB 3.88Å; S95-L98 WeakPolarHBondContact O-CB 3.23Å; S95-L98 PolarHBondContact O-N 3.31Å; S95-L98 PolarHBondContact OG-N 3Å; S95-L98 VanDerWaalsContact OG-N 3.15Å; P96-L98 VanDerWaalsContact C-N 3.33Å; P96-L98 PolarHBondContact O-N 3.5Å; L98-R101 WeakPolarHBondContact O-CB 3.47Å; L98-R101 PolarHBondContact O-N 3.4Å; L98-I102 WeakPolarHBondContact O-CG1 3.34Å; L98-I102 PolarHBondContact O-N 2.88Å; L98-Y150 HydrophobicContact CD1-CD1 3.97Å; L98-Y150 HydrophobicContact CD1-CE1 3.9Å; L98-Y150 HydrophobicContact CD1-CE2 4.42Å; L98-Y150 HydrophobicContact CD1-CG 4.3Å; L98-Y150 HydrophobicContact CD2-CD1 4.02Å; L98-Y150 HydrophobicContact CD2-CE1 3.39Å; L98-Y150 HydrophobicContact CG-CD1 3.66Å; L98-Y150 HydrophobicContact CG-CE1 3.57Å; L98-Y150 HydrophobicContact CG-CG 4.44Å |
| 99 | M | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -48.7 | 171.5 | -178.7 | 59.5 | 74.1 | 0 | 0 | 110.8 | Y68 L85 L88 A89 V92 L94 S95 P96 R101 I102 I103 | Y68-M99 HydrophobicContact CD1-CE 4.44Å; Y68-M99 HydrophobicContact CD2-CE 4Å; Y68-M99 HydrophobicContact CD2-SD 4.04Å; Y68-M99 HydrophobicContact CE1-CE 4.48Å; Y68-M99 HydrophobicContact CE2-CE 4.01Å; Y68-M99 HydrophobicContact CG-CE 4.22Å; Y68-M99 HydrophobicContact CG-SD 4.22Å; L85-M99 HydrophobicContact CB-CG 4.45Å; L85-M99 WeakPolarHBondContact O-CG 3.44Å; L88-M99 HydrophobicContact CB-CE 3.95Å; L88-M99 HydrophobicContact CB-CG 4.37Å; L88-M99 HydrophobicContact CB-SD 4.34Å; A89-M99 HydrophobicContact CB-CB 3.73Å; A89-M99 HydrophobicContact CB-CG 4.16Å; V92-M99 HydrophobicContact CG2-CE 3.58Å; L94-M99 HydrophobicContact CD2-CB 4.23Å; L94-M99 HydrophobicContact CD2-CE 4.11Å; S95-M99 PolarHBondContact O-N 3.49Å; P96-M99 PolarHBondContact O-N 2.94Å; M99-R101 VanDerWaalsContact C-N 3.26Å; M99-R101 PolarHBondContact O-N 3.42Å; M99-I102 PolarHBondContact O-N 2.86Å; M99-I102 VanDerWaalsContact O-N 3.13Å; M99-I103 WeakPolarHBondContact O-CG1 3.37Å; M99-I103 PolarHBondContact O-N 2.8Å; M99-I103 HydrophobicContact SD-CG1 4.28Å |
| 100 | A | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -53.7 | -43.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | P96 I103 L104 L125 I140 C143 | P96-A100 WeakPolarHBondContact O-CB 3.45Å; P96-A100 PolarHBondContact O-N 2.97Å; A100-I103 PolarHBondContact O-N 3.26Å; A100-L104 VanDerWaalsContact O-CB 3.23Å; A100-L104 WeakPolarHBondContact O-CB 3.18Å; A100-L104 PolarHBondContact O-N 3.45Å; A100-L125 HydrophobicContact CB-CD2 4.02Å; A100-I140 HydrophobicContact CB-CB 4.47Å; A100-I140 HydrophobicContact CB-CG1 4.01Å; A100-I140 HydrophobicContact CB-CG2 4.34Å; A100-C143 HydrophobicContact CB-CB 3.87Å |
| 101 | R | 94.2 | Very high | 91.5 | Very high | 73 Ų | 73 | 32.3 Ų | 32.3 | 28% | 0.275 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 176.4 | -176.7 | -177.5 | -179 | 96.1 | 9 | 112.8 | T97 L98 M99 I103 D105 N122 L125 | T97-R101 WeakPolarHBondContact O-CB 3.37Å; T97-R101 PolarHBondContact O-N 3.11Å; L98-R101 WeakPolarHBondContact O-CB 3.47Å; L98-R101 PolarHBondContact O-N 3.4Å; M99-R101 VanDerWaalsContact C-N 3.26Å; M99-R101 PolarHBondContact O-N 3.42Å; R101-I103 VanDerWaalsContact C-N 3.34Å; R101-D105 VanDerWaalsContact O-CB 3.26Å; R101-D105 WeakPolarHBondContact O-CB 3.49Å; R101-D105 PolarHBondContact O-N 2.84Å; R101-N122 PolarHBondContact NH1-OD1 3Å; R101-L125 HydrophobicContact CB-CD1 3.88Å; R101-L125 HydrophobicContact CG-CD1 3.99Å |
| 102 | I | 94.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.6 | -47.1 | 178.8 | -74.2 | 168.4 | 0 | 0 | 0 | 110.4 | H59 M65 Y68 L94 L98 M99 R106 | H59-I102 HydrophobicContact CB-CD1 3.96Å; M65-I102 HydrophobicContact CB-CG2 4.28Å; M65-I102 HydrophobicContact CE-CG2 3.94Å; M65-I102 HydrophobicContact CG-CG2 3.95Å; Y68-I102 HydrophobicContact CD2-CG2 4.48Å; L94-I102 HydrophobicContact CD2-CD1 3.76Å; L98-I102 WeakPolarHBondContact O-CG1 3.34Å; L98-I102 PolarHBondContact O-N 2.88Å; M99-I102 PolarHBondContact O-N 2.86Å; M99-I102 VanDerWaalsContact O-N 3.13Å; I102-R106 PolarHBondContact O-N 3.02Å; I102-R106 VanDerWaalsContact O-N 3.08Å |
| 103 | I | 96.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.9 | -42.9 | -177.1 | -63 | -62.1 | 0 | 0 | 0 | 111.5 | Y69 Y72 L85 M99 A100 R101 D105 R106 F107 L136 | Y69-I103 HydrophobicContact CD2-CD1 4.34Å; Y69-I103 HydrophobicContact CD2-CG2 4.29Å; Y72-I103 HydrophobicContact CD1-CG2 4.06Å; Y72-I103 HydrophobicContact CE1-CG2 4.4Å; Y72-I103 HydrophobicContact CG-CG2 4.16Å; L85-I103 HydrophobicContact CD1-CB 4.12Å; L85-I103 HydrophobicContact CD1-CG1 4.38Å; L85-I103 HydrophobicContact CD1-CG2 4.1Å; L85-I103 HydrophobicContact CD2-CB 4.23Å; L85-I103 HydrophobicContact CD2-CG1 3.69Å; L85-I103 HydrophobicContact CD2-CG2 4.15Å; M99-I103 WeakPolarHBondContact O-CG1 3.37Å; M99-I103 PolarHBondContact O-N 2.8Å; M99-I103 HydrophobicContact SD-CG1 4.28Å; A100-I103 PolarHBondContact O-N 3.26Å; R101-I103 VanDerWaalsContact C-N 3.34Å; I103-D105 PolarHBondContact O-N 2.98Å; I103-R106 PolarHBondContact O-N 3.29Å; I103-F107 WeakPolarHBondContact O-CB 3.13Å; I103-F107 PolarHBondContact O-N 3.43Å; I103-L136 HydrophobicContact CG2-CD1 3.91Å |
| 104 | L | 94.9 | Very high | 89 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 176.3 | -177.4 | 62 | 0 | 0 | 0 | 111.6 | A100 R106 F107 L108 L121 M124 L125 I131 L136 I140 | A100-L104 VanDerWaalsContact O-CB 3.23Å; A100-L104 WeakPolarHBondContact O-CB 3.18Å; A100-L104 PolarHBondContact O-N 3.45Å; L104-R106 PolarHBondContact O-N 3.15Å; L104-F107 PolarHBondContact O-N 3.48Å; L104-L108 HydrophobicContact CD1-CD1 4.27Å; L104-L108 HydrophobicContact CD1-CG 4.21Å; L104-L108 HydrophobicContact CG-CD1 4.26Å; L104-L108 WeakPolarHBondContact O-CG 3.35Å; L104-L108 PolarHBondContact O-N 2.87Å; L104-L121 HydrophobicContact CB-CD2 4.36Å; L104-L121 HydrophobicContact CD2-CD2 3.89Å; L104-L121 HydrophobicContact CG-CD2 3.75Å; L104-M124 HydrophobicContact CD1-SD 4.36Å; L104-M124 HydrophobicContact CD2-CB 3.8Å; L104-L125 HydrophobicContact CD2-CD2 4.13Å; L104-L125 HydrophobicContact CD2-CG 4.01Å; L104-I131 HydrophobicContact CD1-CD1 3.87Å; L104-I131 HydrophobicContact CD1-CG1 4.38Å; L104-I131 HydrophobicContact CD2-CD1 4.44Å; L104-L136 HydrophobicContact CD1-CD2 4.05Å; L104-I140 HydrophobicContact CB-CD1 4.01Å; L104-I140 HydrophobicContact CD1-CD1 3.96Å; L104-I140 HydrophobicContact CD2-CD1 4.22Å; L104-I140 HydrophobicContact CG-CD1 4.28Å |
| 105 | D | 93.3 | Very high | 88.3 | Confident | 27 Ų | 27 | 41.7 Ų | 41.7 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 176.7 | -177.6 | 72.5 | 0 | 0 | 0 | 111.8 | R101 I103 K109 P116 L121 | R101-D105 VanDerWaalsContact O-CB 3.26Å; R101-D105 WeakPolarHBondContact O-CB 3.49Å; R101-D105 PolarHBondContact O-N 2.84Å; I103-D105 PolarHBondContact O-N 2.98Å; D105-K109 VanDerWaalsContact O-CG 3.31Å; D105-K109 WeakPolarHBondContact O-CG 3.33Å; D105-K109 PolarHBondContact O-N 3.1Å; D105-K109 IonicContact OD1-NZ 2.97Å; D105-K109 WeakPolarHBondContact OD2-CE 3.24Å; D105-K109 IonicContact OD2-NZ 3.93Å; D105-K109 PolarHBondContact OD2-NZ 3.23Å; D105-P116 WeakPolarHBondContact OD1-CG 3.44Å; D105-L121 HydrophobicContact CB-CD1 4.28Å; D105-L121 HydrophobicContact CB-CD2 4.26Å; D105-L121 WeakPolarHBondContact OD1-CD1 3.06Å |
| 106 | R | 92.9 | Very high | 87.6 | Confident | 56 Ų | 56 | 42.8 Ų | 42.8 | 21% | 0.211 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.1 | -39 | 176.7 | 178.5 | 58.9 | -176.1 | 94.8 | 0.9 | 112.9 | E66 Y69 I102 I103 L104 K109 D110 | E66-R106 IonicContact OE1-NH2 2.87Å; E66-R106 IonicContact OE2-CZ 3.82Å; E66-R106 IonicContact OE2-NE 3.49Å; E66-R106 PolarHBondContact OE2-NE 2.75Å; E66-R106 IonicContact OE2-NH2 3.64Å; E66-R106 PolarHBondContact OE2-NH2 2.55Å; Y69-R106 HydrophobicContact CD1-CG 3.77Å; Y69-R106 HydrophobicContact CD2-CB 4.31Å; Y69-R106 HydrophobicContact CD2-CG 3.87Å; Y69-R106 HydrophobicContact CE1-CG 4.18Å; Y69-R106 HydrophobicContact CE2-CG 4.3Å; Y69-R106 HydrophobicContact CG-CB 4.44Å; Y69-R106 HydrophobicContact CG-CG 3.6Å; I102-R106 PolarHBondContact O-N 3.02Å; I102-R106 VanDerWaalsContact O-N 3.08Å; I103-R106 PolarHBondContact O-N 3.29Å; L104-R106 PolarHBondContact O-N 3.15Å; R106-K109 PolarHBondContact O-N 3.38Å; R106-D110 IonicContact CZ-OD1 3.54Å; R106-D110 IonicContact NH1-OD1 3.69Å; R106-D110 PolarHBondContact NH1-OD1 3.22Å; R106-D110 IonicContact NH2-OD1 3.36Å; R106-D110 PolarHBondContact NH2-OD1 2.91Å; R106-D110 PolarHBondContact O-N 3.21Å |
| 107 | F | 93 | Very high | 87.3 | Confident | 22 Ų | 22 | 45.3 Ų | 45.3 | 10% | 0.096 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 179.3 | -179 | -90.7 | 0 | 0 | 0 | 111.6 | Y69 I103 L104 K109 D110 M111 D133 L136 | Y69-F107 HydrophobicContact CE2-CB 4.1Å; Y69-F107 HydrophobicContact CE2-CD2 4.23Å; I103-F107 WeakPolarHBondContact O-CB 3.13Å; I103-F107 PolarHBondContact O-N 3.43Å; L104-F107 PolarHBondContact O-N 3.48Å; F107-K109 VanDerWaalsContact C-N 3.33Å; F107-K109 PolarHBondContact O-N 3.21Å; F107-D110 VanDerWaalsContact O-CB 3.31Å; F107-D110 WeakPolarHBondContact O-CB 3.17Å; F107-D110 PolarHBondContact O-N 3.33Å; F107-D110 VanDerWaalsContact O-N 3.12Å; F107-M111 HydrophobicContact CD1-SD 4.19Å; F107-M111 HydrophobicContact CE1-CG 4.14Å; F107-M111 HydrophobicContact CE1-SD 3.35Å; F107-M111 WeakPolarHBondContact CE1-SD 3.33Å; F107-M111 HydrophobicContact CZ-CG 4.43Å; F107-M111 HydrophobicContact CZ-SD 3.7Å; F107-M111 PolarHBondContact O-N 2.94Å; F107-D133 HydrophobicContact CE1-CB 4.29Å; F107-D133 HydrophobicContact CE2-CB 4.45Å; F107-D133 HydrophobicContact CZ-CB 3.71Å; F107-L136 HydrophobicContact CB-CD2 3.93Å; F107-L136 HydrophobicContact CD1-CD2 3.46Å; F107-L136 VanDerWaalsContact CD1-CD2 3.46Å; F107-L136 HydrophobicContact CD2-CD2 3.8Å; F107-L136 HydrophobicContact CE1-CD2 3.83Å; F107-L136 HydrophobicContact CE2-CD2 4.15Å; F107-L136 HydrophobicContact CG-CD2 3.44Å; F107-L136 VanDerWaalsContact CG-CD2 3.44Å; F107-L136 HydrophobicContact CZ-CD2 4.17Å |
| 108 | L | 90.8 | Very high | 87 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.9 | -35.3 | 178.4 | -67.7 | 177.7 | 0 | 0 | 0 | 112.5 | L104 D110 M111 D112 P116 L121 M124 | L104-L108 HydrophobicContact CD1-CD1 4.27Å; L104-L108 HydrophobicContact CD1-CG 4.21Å; L104-L108 HydrophobicContact CG-CD1 4.26Å; L104-L108 WeakPolarHBondContact O-CG 3.35Å; L104-L108 PolarHBondContact O-N 2.87Å; L108-D110 PolarHBondContact O-N 3.14Å; L108-M111 PolarHBondContact O-N 2.92Å; L108-D112 PolarHBondContact O-N 3.16Å; L108-P116 HydrophobicContact CB-CB 3.96Å; L108-P116 HydrophobicContact CB-CG 4.02Å; L108-P116 HydrophobicContact CD1-CB 3.74Å; L108-P116 HydrophobicContact CD1-CG 4.28Å; L108-L121 HydrophobicContact CD1-CD2 3.7Å; L108-L121 HydrophobicContact CD1-CG 4.5Å; L108-M124 HydrophobicContact CD1-SD 4.05Å; L108-M124 HydrophobicContact CD2-SD 4.4Å |
| 109 | K | 89.2 | Confident | 86.8 | Confident | 61 Ų | 61 | 56.8 Ų | 56.8 | 27% | 0.265 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.6 | -32.4 | 173.2 | -71.5 | 174.1 | -157.1 | 178.7 | 0 | 112.8 | D105 R106 F107 G113 M115 | D105-K109 VanDerWaalsContact O-CG 3.31Å; D105-K109 WeakPolarHBondContact O-CG 3.33Å; D105-K109 PolarHBondContact O-N 3.1Å; D105-K109 IonicContact OD1-NZ 2.97Å; D105-K109 WeakPolarHBondContact OD2-CE 3.24Å; D105-K109 IonicContact OD2-NZ 3.93Å; D105-K109 PolarHBondContact OD2-NZ 3.23Å; R106-K109 PolarHBondContact O-N 3.38Å; F107-K109 VanDerWaalsContact C-N 3.33Å; F107-K109 PolarHBondContact O-N 3.21Å; K109-G113 WeakPolarHBondContact O-CA 3.42Å; K109-G113 PolarHBondContact O-N 2.85Å; K109-M115 HydrophobicContact CD-SD 3.99Å; K109-M115 WeakPolarHBondContact CE-SD 3.31Å; K109-M115 HydrophobicContact CG-SD 4.5Å |
| 110 | D | 86.4 | Confident | 86.5 | Confident | 96 Ų | 96 | 59.9 Ų | 59.9 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.4 | -39.8 | 178 | -146.6 | 63.2 | 0 | 0 | 0 | 111.6 | R106 F107 L108 | R106-D110 IonicContact CZ-OD1 3.54Å; R106-D110 IonicContact NH1-OD1 3.69Å; R106-D110 PolarHBondContact NH1-OD1 3.22Å; R106-D110 IonicContact NH2-OD1 3.36Å; R106-D110 PolarHBondContact NH2-OD1 2.91Å; R106-D110 PolarHBondContact O-N 3.21Å; F107-D110 VanDerWaalsContact O-CB 3.31Å; F107-D110 WeakPolarHBondContact O-CB 3.17Å; F107-D110 PolarHBondContact O-N 3.33Å; F107-D110 VanDerWaalsContact O-N 3.12Å; L108-D110 PolarHBondContact O-N 3.14Å |
| 111 | M | 80.3 | Confident | 86.2 | Confident | 111 Ų | 111 | 60 Ų | 60 | 55% | 0.547 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -77.4 | -48.1 | -179 | -69.6 | -163.2 | 67.7 | 0 | 0 | 113.7 | F107 L108 | F107-M111 HydrophobicContact CD1-SD 4.19Å; F107-M111 HydrophobicContact CE1-CG 4.14Å; F107-M111 HydrophobicContact CE1-SD 3.35Å; F107-M111 WeakPolarHBondContact CE1-SD 3.33Å; F107-M111 HydrophobicContact CZ-CG 4.43Å; F107-M111 HydrophobicContact CZ-SD 3.7Å; F107-M111 PolarHBondContact O-N 2.94Å; L108-M111 PolarHBondContact O-N 2.92Å |
| 112 | D | 76.6 | Confident | 86 | Confident | 123 Ų | 123 | 59.9 Ų | 59.9 | 66% | 0.658 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -99.4 | -4.2 | -168.4 | -67.3 | -25.3 | 0 | 0 | 0 | 113.3 | L108 G114 | L108-D112 PolarHBondContact O-N 3.16Å; D112-G114 PolarHBondContact O-N 3.38Å |
| 113 | G | 67.3 | Low | 85.9 | Confident | 76 Ų | 76 | 62.1 Ų | 62.1 | 78% | 0.784 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 63.2 | 4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K109 | K109-G113 WeakPolarHBondContact O-CA 3.42Å; K109-G113 PolarHBondContact O-N 2.85Å |
| 114 | G | 71.1 | Confident | 85.7 | Confident | 38 Ų | 38 | 63.8 Ų | 63.8 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -130.3 | 169 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D112 P116 | D112-G114 PolarHBondContact O-N 3.38Å; G114-P116 WeakPolarHBondContact O-CD 3.32Å |
| 115 | M | 73.5 | Confident | 85.5 | Confident | 144 Ų | 144 | 64.2 Ų | 64.2 | 71% | 0.709 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 118.9 | 176.5 | -77.7 | -68.3 | -61.6 | 0 | 0 | 110.3 | K109 | K109-M115 HydrophobicContact CD-SD 3.99Å; K109-M115 WeakPolarHBondContact CE-SD 3.31Å; K109-M115 HydrophobicContact CG-SD 4.5Å |
| 116 | P | 77.8 | Confident | 85.3 | Confident | 22 Ų | 22 | 70.1 Ų | 70.1 | 14% | 0.143 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 143.2 | 177.7 | 27.7 | -35 | 0 | 0 | 0 | 110.6 | D105 L108 G114 L121 | D105-P116 WeakPolarHBondContact OD1-CG 3.44Å; L108-P116 HydrophobicContact CB-CB 3.96Å; L108-P116 HydrophobicContact CB-CG 4.02Å; L108-P116 HydrophobicContact CD1-CB 3.74Å; L108-P116 HydrophobicContact CD1-CG 4.28Å; G114-P116 WeakPolarHBondContact O-CD 3.32Å; P116-L121 HydrophobicContact CB-CD1 4.48Å; P116-L121 HydrophobicContact CB-CD2 4.43Å; P116-L121 HydrophobicContact CB-CG 4.2Å; P116-L121 HydrophobicContact CG-CD1 4.09Å; P116-L121 HydrophobicContact CG-CD2 4.28Å; P116-L121 HydrophobicContact CG-CG 4.23Å |
| 117 | S | 85.1 | Confident | 85.3 | Confident | 59 Ų | 59 | 72.4 Ų | 72.4 | 41% | 0.413 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 142.2 | 176.6 | 80.7 | 0 | 0 | 0 | 0 | 110.6 | T119 V120 L121 | S117-T119 PolarHBondContact O-N 3.27Å; S117-V120 PolarHBondContact O-N 3.1Å; S117-V120 VanDerWaalsContact O-N 3.16Å; S117-V120 WeakPolarHBondContact OG-CB 3.38Å; S117-V120 WeakPolarHBondContact OG-CG2 3.24Å; S117-V120 PolarHBondContact OG-N 3.32Å; S117-V120 VanDerWaalsContact OG-N 3.15Å; S117-L121 PolarHBondContact O-N 2.94Å; S117-L121 VanDerWaalsContact O-N 3.1Å |
| 118 | K | 86 | Confident | 85.3 | Confident | 158 Ų | 158 | 72 Ų | 72 | 69% | 0.687 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -56.4 | -33.5 | 176.2 | -70.7 | -177.8 | 179.6 | 176.6 | 0 | 112.2 | N122 | K118-N122 WeakPolarHBondContact O-CB 3.44Å; K118-N122 PolarHBondContact O-N 3.45Å; K118-N122 PolarHBondContact O-ND2 3.07Å |
| 119 | T | 88.6 | Confident | 85.4 | Confident | 103 Ų | 103 | 75.6 Ų | 75.6 | 63% | 0.632 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.4 | -48.5 | 178.6 | -49.8 | 0 | 0 | 0 | 0 | 111.1 | S117 L121 N122 S123 | S117-T119 PolarHBondContact O-N 3.27Å; T119-L121 PolarHBondContact O-N 2.86Å; T119-N122 PolarHBondContact O-N 3.38Å; T119-S123 PolarHBondContact O-N 3.35Å; T119-S123 PolarHBondContact O-OG 3.01Å; T119-S123 VanDerWaalsContact O-OG 3.13Å |
| 120 | V | 88.9 | Confident | 85.6 | Confident | 65 Ų | 65 | 77 Ų | 77 | 39% | 0.394 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 178.1 | 170.1 | 0 | 0 | 0 | 0 | 111 | S117 N122 S123 M124 | S117-V120 PolarHBondContact O-N 3.1Å; S117-V120 VanDerWaalsContact O-N 3.16Å; S117-V120 WeakPolarHBondContact OG-CB 3.38Å; S117-V120 WeakPolarHBondContact OG-CG2 3.24Å; S117-V120 PolarHBondContact OG-N 3.32Å; S117-V120 VanDerWaalsContact OG-N 3.15Å; V120-N122 PolarHBondContact O-N 2.87Å; V120-S123 PolarHBondContact O-N 2.69Å; V120-M124 HydrophobicContact CG1-CE 3.94Å; V120-M124 HydrophobicContact CG1-SD 4Å; V120-M124 PolarHBondContact O-N 2.82Å |
| 121 | L | 89.9 | Confident | 85.9 | Confident | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.016 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -55.9 | -48.7 | 175.7 | -75.8 | 172.2 | 0 | 0 | 0 | 112.2 | L104 D105 L108 P116 S117 T119 S123 M124 L125 | L104-L121 HydrophobicContact CB-CD2 4.36Å; L104-L121 HydrophobicContact CD2-CD2 3.89Å; L104-L121 HydrophobicContact CG-CD2 3.75Å; D105-L121 HydrophobicContact CB-CD1 4.28Å; D105-L121 HydrophobicContact CB-CD2 4.26Å; D105-L121 WeakPolarHBondContact OD1-CD1 3.06Å; L108-L121 HydrophobicContact CD1-CD2 3.7Å; L108-L121 HydrophobicContact CD1-CG 4.5Å; P116-L121 HydrophobicContact CB-CD1 4.48Å; P116-L121 HydrophobicContact CB-CD2 4.43Å; P116-L121 HydrophobicContact CB-CG 4.2Å; P116-L121 HydrophobicContact CG-CD1 4.09Å; P116-L121 HydrophobicContact CG-CD2 4.28Å; P116-L121 HydrophobicContact CG-CG 4.23Å; S117-L121 PolarHBondContact O-N 2.94Å; S117-L121 VanDerWaalsContact O-N 3.1Å; T119-L121 PolarHBondContact O-N 2.86Å; L121-S123 VanDerWaalsContact C-N 3.33Å; L121-S123 PolarHBondContact O-N 2.63Å; L121-M124 PolarHBondContact O-N 3.48Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.27Å; L121-L125 PolarHBondContact O-N 3.1Å |
| 122 | N | 89.8 | Confident | 86.5 | Confident | 70 Ų | 70 | 75.6 Ų | 75.6 | 37% | 0.374 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | -179.3 | -71.4 | -14.2 | 0 | 0 | 0 | 111.8 | R101 K118 T119 V120 K126 | R101-N122 PolarHBondContact NH1-OD1 3Å; K118-N122 WeakPolarHBondContact O-CB 3.44Å; K118-N122 PolarHBondContact O-N 3.45Å; K118-N122 PolarHBondContact O-ND2 3.07Å; T119-N122 PolarHBondContact O-N 3.38Å; V120-N122 PolarHBondContact O-N 2.87Å; N122-K126 VanDerWaalsContact O-CG 3.31Å; N122-K126 WeakPolarHBondContact O-CG 3.42Å; N122-K126 PolarHBondContact O-N 3.39Å; N122-K126 VanDerWaalsContact O-N 3.14Å |
| 123 | S | 91.4 | Very high | 87.4 | Confident | 54 Ų | 54 | 72.4 Ų | 72.4 | 38% | 0.378 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 175.2 | -64 | 0 | 0 | 0 | 0 | 111.7 | T119 V120 L121 L125 K126 E127 | T119-S123 PolarHBondContact O-N 3.35Å; T119-S123 PolarHBondContact O-OG 3.01Å; T119-S123 VanDerWaalsContact O-OG 3.13Å; V120-S123 PolarHBondContact O-N 2.69Å; L121-S123 VanDerWaalsContact C-N 3.33Å; L121-S123 PolarHBondContact O-N 2.63Å; S123-L125 PolarHBondContact O-N 3.46Å; S123-K126 PolarHBondContact O-N 3.36Å; S123-E127 WeakPolarHBondContact O-CB 3.45Å; S123-E127 PolarHBondContact O-N 2.96Å |
| 124 | M | 92.6 | Very high | 88.7 | Confident | 34 Ų | 34 | 76.3 Ų | 76.3 | 17% | 0.167 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.3 | -33.2 | 178.2 | -73.8 | 177.2 | 171.3 | 0 | 0 | 113.4 | L104 L108 V120 L121 K126 E127 P128 L130 I131 | L104-M124 HydrophobicContact CD1-SD 4.36Å; L104-M124 HydrophobicContact CD2-CB 3.8Å; L108-M124 HydrophobicContact CD1-SD 4.05Å; L108-M124 HydrophobicContact CD2-SD 4.4Å; V120-M124 HydrophobicContact CG1-CE 3.94Å; V120-M124 HydrophobicContact CG1-SD 4Å; V120-M124 PolarHBondContact O-N 2.82Å; L121-M124 PolarHBondContact O-N 3.48Å; M124-K126 VanDerWaalsContact C-N 3.34Å; M124-E127 CarbonylContact O-C 3.55Å; M124-P128 VanDerWaalsContact O-CA 3.29Å; M124-P128 WeakPolarHBondContact O-CA 3.32Å; M124-L130 HydrophobicContact CG-CB 4.06Å; M124-I131 HydrophobicContact CB-CD1 4.16Å; M124-I131 HydrophobicContact CB-CG1 3.92Å; M124-I131 HydrophobicContact CG-CG1 4Å; M124-I131 HydrophobicContact SD-CG1 4.12Å |
| 125 | L | 91.1 | Very high | 89.8 | Confident | 9 Ų | 9 | 77.1 Ų | 77.1 | 5% | 0.047 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.9 | -33.3 | 173.5 | -72.7 | 169 | 0 | 0 | 0 | 112.4 | A100 R101 L104 L121 S123 I140 T144 | A100-L125 HydrophobicContact CB-CD2 4.02Å; R101-L125 HydrophobicContact CB-CD1 3.88Å; R101-L125 HydrophobicContact CG-CD1 3.99Å; L104-L125 HydrophobicContact CD2-CD2 4.13Å; L104-L125 HydrophobicContact CD2-CG 4.01Å; L121-L125 VanDerWaalsContact O-CG 3.31Å; L121-L125 WeakPolarHBondContact O-CG 3.27Å; L121-L125 PolarHBondContact O-N 3.1Å; S123-L125 PolarHBondContact O-N 3.46Å; L125-I140 HydrophobicContact CD2-CG2 4.01Å; L125-T144 PolarHBondContact O-OG1 3.08Å |
| 126 | K | 89.6 | Confident | 90.9 | Very high | 152 Ų | 152 | 70.3 Ų | 70.3 | 66% | 0.661 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -75.5 | -39.5 | 175 | -74.4 | 179.6 | 177.5 | -170.6 | 0 | 112 | N122 S123 M124 P152 | N122-K126 VanDerWaalsContact O-CG 3.31Å; N122-K126 WeakPolarHBondContact O-CG 3.42Å; N122-K126 PolarHBondContact O-N 3.39Å; N122-K126 VanDerWaalsContact O-N 3.14Å; S123-K126 PolarHBondContact O-N 3.36Å; M124-K126 VanDerWaalsContact C-N 3.34Å; K126-P152 HydrophobicContact CG-CB 4.12Å; K126-P152 HydrophobicContact CG-CG 4.07Å |
| 127 | E | 91.4 | Very high | 91.8 | Very high | 104 Ų | 104 | 69.8 Ų | 69.8 | 49% | 0.486 | 37% | 0.367 | S | S | . | . | trans | -127.2 | 82.1 | -175.7 | -173.8 | 73.2 | -113.5 | 0 | 0 | 108.9 | S123 M124 S129 L130 | S123-E127 WeakPolarHBondContact O-CB 3.45Å; S123-E127 PolarHBondContact O-N 2.96Å; M124-E127 CarbonylContact O-C 3.55Å; E127-S129 VanDerWaalsContact CG-OG 3.3Å; E127-S129 WeakPolarHBondContact CG-OG 3.36Å; E127-S129 PolarHBondContact O-N 3.44Å; E127-S129 VanDerWaalsContact O-N 3.09Å; E127-S129 PolarHBondContact OE1-OG 2.6Å; E127-L130 HydrophobicContact CB-CD1 3.91Å; E127-L130 HydrophobicContact CB-CG 4.07Å; E127-L130 HydrophobicContact CG-CD1 4.05Å; E127-L130 HydrophobicContact CG-CD2 4.41Å; E127-L130 HydrophobicContact CG-CG 3.74Å; E127-L130 WeakPolarHBondContact O-CB 3.44Å; E127-L130 WeakPolarHBondContact O-CG 3.25Å; E127-L130 PolarHBondContact O-N 3.32Å; E127-L130 VanDerWaalsContact O-N 3.1Å | ||
| 128 | P | 93.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 69.8 Ų | 69.8 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -62 | -18.1 | -177.6 | -24.8 | 35.6 | 0 | 0 | 0 | 113.9 | M124 L130 I131 A137 I140 | M124-P128 VanDerWaalsContact O-CA 3.29Å; M124-P128 WeakPolarHBondContact O-CA 3.32Å; P128-L130 PolarHBondContact O-N 3.1Å; P128-I131 WeakPolarHBondContact O-CB 3.2Å; P128-I131 PolarHBondContact O-N 2.93Å; P128-I131 VanDerWaalsContact O-N 3.1Å; P128-A137 WeakPolarHBondContact O-CB 3.31Å; P128-I140 HydrophobicContact CB-CG2 4.27Å; P128-I140 HydrophobicContact CG-CG2 4.01Å |
| 129 | S | 93.3 | Very high | 92.8 | Very high | 91 Ų | 91 | 62.2 Ų | 62.2 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -62.9 | -18.1 | 175 | 67.7 | 0 | 0 | 0 | 0 | 113.5 | E127 I131 | E127-S129 VanDerWaalsContact CG-OG 3.3Å; E127-S129 WeakPolarHBondContact CG-OG 3.36Å; E127-S129 PolarHBondContact O-N 3.44Å; E127-S129 VanDerWaalsContact O-N 3.09Å; E127-S129 PolarHBondContact OE1-OG 2.6Å; S129-I131 PolarHBondContact O-N 2.55Å |
| 130 | L | 93.4 | Very high | 93.1 | Very high | 92 Ų | 92 | 57.3 Ų | 57.3 | 48% | 0.482 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -73.9 | -11.1 | 174.3 | -61.7 | 176.8 | 0 | 0 | 0 | 113.6 | M124 E127 P128 | M124-L130 HydrophobicContact CG-CB 4.06Å; E127-L130 HydrophobicContact CB-CD1 3.91Å; E127-L130 HydrophobicContact CB-CG 4.07Å; E127-L130 HydrophobicContact CG-CD1 4.05Å; E127-L130 HydrophobicContact CG-CD2 4.41Å; E127-L130 HydrophobicContact CG-CG 3.74Å; E127-L130 WeakPolarHBondContact O-CB 3.44Å; E127-L130 WeakPolarHBondContact O-CG 3.25Å; E127-L130 PolarHBondContact O-N 3.32Å; E127-L130 VanDerWaalsContact O-N 3.1Å; P128-L130 PolarHBondContact O-N 3.1Å |
| 131 | I | 94 | Very high | 93.4 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | trans | -89.2 | 122 | -178.4 | -56.3 | 173.3 | 0 | 0 | 0 | 108.6 | L104 M124 P128 S129 D133 L136 A137 I140 | L104-I131 HydrophobicContact CD1-CD1 3.87Å; L104-I131 HydrophobicContact CD1-CG1 4.38Å; L104-I131 HydrophobicContact CD2-CD1 4.44Å; M124-I131 HydrophobicContact CB-CD1 4.16Å; M124-I131 HydrophobicContact CB-CG1 3.92Å; M124-I131 HydrophobicContact CG-CG1 4Å; M124-I131 HydrophobicContact SD-CG1 4.12Å; P128-I131 WeakPolarHBondContact O-CB 3.2Å; P128-I131 PolarHBondContact O-N 2.93Å; P128-I131 VanDerWaalsContact O-N 3.1Å; S129-I131 PolarHBondContact O-N 2.55Å; I131-D133 VanDerWaalsContact C-N 3.33Å; I131-D133 HydrophobicContact CG2-CB 4.39Å; I131-D133 PolarHBondContact O-N 2.78Å; I131-L136 HydrophobicContact CG2-CB 4.3Å; I131-L136 HydrophobicContact CG2-CD2 4.13Å; I131-L136 HydrophobicContact CG2-CG 4.28Å; I131-A137 HydrophobicContact CB-CB 4.08Å; I131-A137 HydrophobicContact CG2-CB 4.47Å; I131-I140 HydrophobicContact CD1-CD1 3.34Å | ||
| 132 | Q | 91.8 | Very high | 93.6 | Very high | 169 Ų | 169 | 62.2 Ų | 62.2 | 79% | 0.79 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -65 | -36.8 | -178.1 | -66.1 | -177.3 | -0.5 | 0 | 0 | 112.6 | H134 | Q132-H134 PolarHBondContact O-N 2.65Š|
| 133 | D | 94.5 | Very high | 93.7 | Very high | 55 Ų | 55 | 58.9 Ų | 58.9 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | trans | -73.4 | 105.7 | 174.6 | -173.2 | -65.1 | 0 | 0 | 0 | 110.2 | F107 I131 I135 L136 A137 | F107-D133 HydrophobicContact CE1-CB 4.29Å; F107-D133 HydrophobicContact CE2-CB 4.45Å; F107-D133 HydrophobicContact CZ-CB 3.71Å; I131-D133 VanDerWaalsContact C-N 3.33Å; I131-D133 HydrophobicContact CG2-CB 4.39Å; I131-D133 PolarHBondContact O-N 2.78Å; D133-I135 VanDerWaalsContact C-N 3.25Å; D133-I135 PolarHBondContact O-N 3.49Å; D133-I135 WeakPolarHBondContact OD1-CA 3.46Å; D133-I135 WeakPolarHBondContact OD1-CB 3.49Å; D133-I135 PolarHBondContact OD1-N 2.9Å; D133-L136 HydrophobicContact CB-CB 4.02Å; D133-L136 PolarHBondContact O-N 3.06Å; D133-L136 WeakPolarHBondContact OD1-CB 3.22Å; D133-L136 PolarHBondContact OD1-N 3.35Å; D133-A137 WeakPolarHBondContact O-CB 3.46Å; D133-A137 PolarHBondContact O-N 2.81Å | ||
| 134 | H | 94.6 | Very high | 93.7 | Very high | 158 Ų | 158 | 56.9 Ų | 56.9 | 73% | 0.731 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.6 | -25.6 | -176.7 | -62.8 | -51.9 | 0 | 0 | 0 | 113.8 | Q132 N138 | Q132-H134 PolarHBondContact O-N 2.65Å; H134-N138 WeakPolarHBondContact O-CB 3.42Å; H134-N138 PolarHBondContact O-N 2.87Å |
| 135 | I | 96.2 | Very high | 93.6 | Very high | 56 Ų | 56 | 57.8 Ų | 57.8 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -73.3 | -45.7 | 178.7 | -62.7 | 170.4 | 0 | 0 | 0 | 109.4 | T76 P80 D133 N138 N139 | T76-I135 HydrophobicContact CG2-CG2 3.7Å; P80-I135 HydrophobicContact CB-CD1 3.89Å; P80-I135 HydrophobicContact CB-CG1 4.15Å; D133-I135 VanDerWaalsContact C-N 3.25Å; D133-I135 PolarHBondContact O-N 3.49Å; D133-I135 WeakPolarHBondContact OD1-CA 3.46Å; D133-I135 WeakPolarHBondContact OD1-CB 3.49Å; D133-I135 PolarHBondContact OD1-N 2.9Å; I135-N138 PolarHBondContact O-N 3.01Å; I135-N139 WeakPolarHBondContact O-CB 3.14Å; I135-N139 PolarHBondContact O-N 3.05Å; I135-N139 PolarHBondContact O-ND2 3.23Å |
| 136 | L | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.8 | -45 | 174.9 | -176.3 | 56.5 | 0 | 0 | 0 | 110.7 | Y72 L85 I103 L104 F107 I131 D133 N138 N139 I140 | Y72-L136 HydrophobicContact CE1-CD1 4.39Å; Y72-L136 HydrophobicContact CE2-CD1 4.24Å; Y72-L136 VanDerWaalsContact OH-CA 3.26Å; Y72-L136 WeakPolarHBondContact OH-CA 3.42Å; Y72-L136 VanDerWaalsContact OH-CB 3.29Å; Y72-L136 WeakPolarHBondContact OH-CB 3.47Å; Y72-L136 PolarHBondContact OH-N 3.17Å; L85-L136 HydrophobicContact CD1-CD1 4.19Å; I103-L136 HydrophobicContact CG2-CD1 3.91Å; L104-L136 HydrophobicContact CD1-CD2 4.05Å; F107-L136 HydrophobicContact CB-CD2 3.93Å; F107-L136 HydrophobicContact CD1-CD2 3.46Å; F107-L136 VanDerWaalsContact CD1-CD2 3.46Å; F107-L136 HydrophobicContact CD2-CD2 3.8Å; F107-L136 HydrophobicContact CE1-CD2 3.83Å; F107-L136 HydrophobicContact CE2-CD2 4.15Å; F107-L136 HydrophobicContact CG-CD2 3.44Å; F107-L136 VanDerWaalsContact CG-CD2 3.44Å; F107-L136 HydrophobicContact CZ-CD2 4.17Å; I131-L136 HydrophobicContact CG2-CB 4.3Å; I131-L136 HydrophobicContact CG2-CD2 4.13Å; I131-L136 HydrophobicContact CG2-CG 4.28Å; D133-L136 HydrophobicContact CB-CB 4.02Å; D133-L136 PolarHBondContact O-N 3.06Å; D133-L136 WeakPolarHBondContact OD1-CB 3.22Å; D133-L136 PolarHBondContact OD1-N 3.35Å; L136-N138 VanDerWaalsContact C-N 3.32Å; L136-N138 PolarHBondContact O-N 2.97Å; L136-N139 PolarHBondContact O-N 2.77Å; L136-I140 HydrophobicContact CD1-CD1 3.77Å; L136-I140 HydrophobicContact CD1-CG1 4.07Å; L136-I140 HydrophobicContact CD2-CD1 4.42Å; L136-I140 HydrophobicContact CG-CD1 3.72Å; L136-I140 HydrophobicContact CG-CG1 4.39Å; L136-I140 WeakPolarHBondContact O-CB 3.31Å; L136-I140 WeakPolarHBondContact O-CG1 3.5Å; L136-I140 PolarHBondContact O-N 3.39Å |
| 137 | A | 96.3 | Very high | 93.4 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 10% | 0.099 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55 | -47.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P128 I131 D133 I140 Y141 | P128-A137 WeakPolarHBondContact O-CB 3.31Å; I131-A137 HydrophobicContact CB-CB 4.08Å; I131-A137 HydrophobicContact CG2-CB 4.47Å; D133-A137 WeakPolarHBondContact O-CB 3.46Å; D133-A137 PolarHBondContact O-N 2.81Å; A137-I140 PolarHBondContact O-N 2.91Å; A137-Y141 VanDerWaalsContact O-CB 3.32Å; A137-Y141 WeakPolarHBondContact O-CB 3.31Å; A137-Y141 PolarHBondContact O-N 3.41Å |
| 138 | N | 95.8 | Very high | 92.9 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 31% | 0.31 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 177.2 | -179.3 | 58.1 | 0 | 0 | 0 | 112.1 | H134 I135 L136 I140 Y141 Q142 | H134-N138 WeakPolarHBondContact O-CB 3.42Å; H134-N138 PolarHBondContact O-N 2.87Å; I135-N138 PolarHBondContact O-N 3.01Å; L136-N138 VanDerWaalsContact C-N 3.32Å; L136-N138 PolarHBondContact O-N 2.97Å; N138-I140 PolarHBondContact O-N 2.93Å; N138-Y141 WeakPolarHBondContact O-CB 3.33Å; N138-Y141 PolarHBondContact O-N 3.44Å; N138-Q142 WeakPolarHBondContact O-CG 3.43Å; N138-Q142 PolarHBondContact O-N 3.28Å |
| 139 | N | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 177.4 | -94.2 | -88.1 | 0 | 0 | 0 | 112.7 | Y72 A82 V84 L85 I135 L136 Q142 C143 | Y72-N139 HydrophobicContact CE2-CB 4.45Å; A82-N139 PolarHBondContact O-ND2 3.1Å; A82-N139 PolarHBondContact O-OD1 3.31Å; V84-N139 PolarHBondContact N-OD1 3.05Å; L85-N139 HydrophobicContact CB-CB 4.3Å; L85-N139 HydrophobicContact CD1-CB 3.85Å; L85-N139 HydrophobicContact CG-CB 3.81Å; L85-N139 PolarHBondContact N-OD1 3.46Å; L85-N139 VanDerWaalsContact N-OD1 3.13Å; I135-N139 WeakPolarHBondContact O-CB 3.14Å; I135-N139 PolarHBondContact O-N 3.05Å; I135-N139 PolarHBondContact O-ND2 3.23Å; L136-N139 PolarHBondContact O-N 2.77Å; N139-Q142 PolarHBondContact O-N 3.38Å; N139-C143 PolarHBondContact O-N 2.96Å; N139-C143 PolarHBondContact O-SG 3.16Å |
| 140 | I | 95.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.1 | -43.6 | 176.2 | -69.6 | 170.7 | 0 | 0 | 0 | 110.2 | L85 A100 L104 L125 P128 I131 L136 A137 N138 Q142 C143 T144 | L85-I140 HydrophobicContact CD1-CG1 4.32Å; A100-I140 HydrophobicContact CB-CB 4.47Å; A100-I140 HydrophobicContact CB-CG1 4.01Å; A100-I140 HydrophobicContact CB-CG2 4.34Å; L104-I140 HydrophobicContact CB-CD1 4.01Å; L104-I140 HydrophobicContact CD1-CD1 3.96Å; L104-I140 HydrophobicContact CD2-CD1 4.22Å; L104-I140 HydrophobicContact CG-CD1 4.28Å; L125-I140 HydrophobicContact CD2-CG2 4.01Å; P128-I140 HydrophobicContact CB-CG2 4.27Å; P128-I140 HydrophobicContact CG-CG2 4.01Å; I131-I140 HydrophobicContact CD1-CD1 3.34Å; L136-I140 HydrophobicContact CD1-CD1 3.77Å; L136-I140 HydrophobicContact CD1-CG1 4.07Å; L136-I140 HydrophobicContact CD2-CD1 4.42Å; L136-I140 HydrophobicContact CG-CD1 3.72Å; L136-I140 HydrophobicContact CG-CG1 4.39Å; L136-I140 WeakPolarHBondContact O-CB 3.31Å; L136-I140 WeakPolarHBondContact O-CG1 3.5Å; L136-I140 PolarHBondContact O-N 3.39Å; A137-I140 PolarHBondContact O-N 2.91Å; N138-I140 PolarHBondContact O-N 2.93Å; I140-Q142 VanDerWaalsContact C-N 3.33Å; I140-Q142 PolarHBondContact O-N 3.11Å; I140-C143 WeakPolarHBondContact O-CB 3.44Å; I140-C143 PolarHBondContact O-N 3.26Å; I140-C143 VanDerWaalsContact O-N 3.12Å; I140-T144 PolarHBondContact O-N 3.1Å; I140-T144 PolarHBondContact O-OG1 3.49Å |
| 141 | Y | 94.4 | Very high | 90.8 | Very high | 119 Ų | 119 | 44.7 Ų | 44.7 | 47% | 0.467 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.2 | -46.8 | 174 | 175.9 | -102.3 | 0 | 0 | 0 | 111.7 | A137 N138 C143 T144 I145 | A137-Y141 VanDerWaalsContact O-CB 3.32Å; A137-Y141 WeakPolarHBondContact O-CB 3.31Å; A137-Y141 PolarHBondContact O-N 3.41Å; N138-Y141 WeakPolarHBondContact O-CB 3.33Å; N138-Y141 PolarHBondContact O-N 3.44Å; Y141-C143 VanDerWaalsContact C-N 3.3Å; Y141-C143 PolarHBondContact O-N 3.29Å; Y141-T144 PolarHBondContact O-N 2.74Å; Y141-I145 HydrophobicContact CD1-CD1 4.33Å; Y141-I145 HydrophobicContact CD2-CG2 4.23Å; Y141-I145 HydrophobicContact CE1-CD1 3.83Å; Y141-I145 HydrophobicContact CE1-CG2 4.2Å; Y141-I145 HydrophobicContact CE2-CG2 3.75Å; Y141-I145 WeakPolarHBondContact O-CG1 3.27Å; Y141-I145 PolarHBondContact O-N 3.06Å |
| 142 | Q | 93.4 | Very high | 90.4 | Very high | 52 Ų | 52 | 45.5 Ų | 45.5 | 24% | 0.243 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -39.9 | 175.4 | -69.6 | -57.3 | -36.4 | 0 | 0 | 112.3 | N138 N139 I140 I145 N146 | N138-Q142 WeakPolarHBondContact O-CG 3.43Å; N138-Q142 PolarHBondContact O-N 3.28Å; N139-Q142 PolarHBondContact O-N 3.38Å; I140-Q142 VanDerWaalsContact C-N 3.33Å; I140-Q142 PolarHBondContact O-N 3.11Å; Q142-I145 WeakPolarHBondContact O-CG1 3.39Å; Q142-N146 VanDerWaalsContact O-CB 3.29Å; Q142-N146 WeakPolarHBondContact O-CB 3.45Å; Q142-N146 PolarHBondContact O-N 3.26Å; Q142-N146 PolarHBondContact O-ND2 2.96Å |
| 143 | C | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.3 | -48.2 | 174.3 | -70 | 0 | 0 | 0 | 0 | 111.6 | L85 P96 A100 N139 I140 Y141 I145 N146 D147 | L85-C143 VanDerWaalsContact CB-SG 3.51Å; P96-C143 HydrophobicContact CB-CB 3.76Å; P96-C143 WeakPolarHBondContact O-CB 3.4Å; A100-C143 HydrophobicContact CB-CB 3.87Å; N139-C143 PolarHBondContact O-N 2.96Å; N139-C143 PolarHBondContact O-SG 3.16Å; I140-C143 WeakPolarHBondContact O-CB 3.44Å; I140-C143 PolarHBondContact O-N 3.26Å; I140-C143 VanDerWaalsContact O-N 3.12Å; Y141-C143 VanDerWaalsContact C-N 3.3Å; Y141-C143 PolarHBondContact O-N 3.29Å; C143-I145 PolarHBondContact O-N 3.24Å; C143-N146 PolarHBondContact O-N 2.77Å; C143-D147 WeakPolarHBondContact O-CB 3.34Å; C143-D147 PolarHBondContact O-N 2.91Å |
| 144 | T | 90.6 | Very high | 89.8 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | -178.3 | -63 | 0 | 0 | 0 | 0 | 112.6 | L125 I140 Y141 P152 L153 | L125-T144 PolarHBondContact O-OG1 3.08Å; I140-T144 PolarHBondContact O-N 3.1Å; I140-T144 PolarHBondContact O-OG1 3.49Å; Y141-T144 PolarHBondContact O-N 2.74Å; T144-P152 HydrophobicContact CG2-CG 4.34Å; T144-L153 HydrophobicContact CG2-CD1 4.41Å; T144-L153 HydrophobicContact CG2-CG 4.24Å |
| 145 | I | 89.7 | Confident | 89.4 | Confident | 53 Ų | 53 | 36.8 Ų | 36.8 | 27% | 0.272 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -78.7 | -18.9 | -178.8 | 69 | 175.1 | 0 | 0 | 0 | 114.1 | R22 Y141 Q142 C143 L153 | R22-I145 PolarHBondContact NH2-O 2.97Å; Y141-I145 HydrophobicContact CD1-CD1 4.33Å; Y141-I145 HydrophobicContact CD2-CG2 4.23Å; Y141-I145 HydrophobicContact CE1-CD1 3.83Å; Y141-I145 HydrophobicContact CE1-CG2 4.2Å; Y141-I145 HydrophobicContact CE2-CG2 3.75Å; Y141-I145 WeakPolarHBondContact O-CG1 3.27Å; Y141-I145 PolarHBondContact O-N 3.06Å; Q142-I145 WeakPolarHBondContact O-CG1 3.39Å; C143-I145 PolarHBondContact O-N 3.24Å; I145-L153 HydrophobicContact CG2-CD1 4.46Å |
| 146 | N | 89.1 | Confident | 89.2 | Confident | 51 Ų | 51 | 38.2 Ų | 38.2 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -103.4 | -8.5 | -179.1 | -71.8 | -68.2 | 0 | 0 | 0 | 113.3 | L86 Q142 C143 C148 | L86-N146 HydrophobicContact CD1-CB 3.83Å; L86-N146 HydrophobicContact CD2-CB 3.99Å; Q142-N146 VanDerWaalsContact O-CB 3.29Å; Q142-N146 WeakPolarHBondContact O-CB 3.45Å; Q142-N146 PolarHBondContact O-N 3.26Å; Q142-N146 PolarHBondContact O-ND2 2.96Å; C143-N146 PolarHBondContact O-N 2.77Å; N146-C148 PolarHBondContact O-N 2.86Å |
| 147 | D | 88.1 | Confident | 89 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | trans | -73.2 | 110.9 | 172.7 | -154.4 | -45.4 | 0 | 0 | 0 | 110.8 | S95 P96 T97 C143 C149 Y150 V154 | S95-D147 WeakPolarHBondContact CB-OD2 3.3Å; S95-D147 PolarHBondContact OG-OD2 2.67Å; P96-D147 HydrophobicContact CB-CB 4.24Å; P96-D147 VanDerWaalsContact CD-OD2 3.23Å; P96-D147 WeakPolarHBondContact CD-OD2 3.28Å; P96-D147 HydrophobicContact CG-CB 4.37Å; T97-D147 WeakPolarHBondContact CB-OD2 3.43Å; T97-D147 PolarHBondContact N-OD2 3.01Å; T97-D147 WeakPolarHBondContact OG1-CB 3.34Å; T97-D147 PolarHBondContact OG1-OD2 3.4Å; T97-D147 VanDerWaalsContact OG1-OD2 3.13Å; C143-D147 WeakPolarHBondContact O-CB 3.34Å; C143-D147 PolarHBondContact O-N 2.91Å; D147-C149 PolarHBondContact OD1-N 3.47Å; D147-C149 VanDerWaalsContact OD1-N 3.08Å; D147-Y150 PolarHBondContact OD1-N 3.09Å; D147-Y150 VanDerWaalsContact OD1-O 3.14Å; D147-V154 WeakPolarHBondContact O-CG2 3.28Å | ||
| 148 | C | 82 | Confident | 88.8 | Confident | 45 Ų | 45 | 46.8 Ų | 46.8 | 30% | 0.304 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -89.2 | -8.2 | -177.1 | 67.7 | 0 | 0 | 0 | 0 | 113.9 | P20 N146 | P20-C148 WeakPolarHBondContact CB-SG 3.47Å; P20-C148 PolarHBondContact O-SG 3.09Å; N146-C148 PolarHBondContact O-N 2.86Å |
| 149 | C | 78.9 | Confident | 88.7 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.034 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -134.4 | -23 | -171.1 | -69.9 | 0 | 0 | 0 | 0 | 115.3 | F44 Y48 D147 | F44-C149 WeakPolarHBondContact CE1-SG 3.44Å; Y48-C149 HydrophobicContact CD1-CB 3.08Å; Y48-C149 HydrophobicContact CE1-CB 3.37Å; Y48-C149 HydrophobicContact CG-CB 3.71Å; D147-C149 PolarHBondContact OD1-N 3.47Å; D147-C149 VanDerWaalsContact OD1-N 3.08Å |
| 150 | Y | 74.4 | Confident | 88.7 | Confident | 75 Ų | 75 | 52.5 Ų | 52.5 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -143.9 | 97.6 | -169.6 | -160.7 | -75.3 | 0 | 0 | 0 | 109.8 | T52 S95 T97 L98 D147 | T52-Y150 HydrophobicContact CG2-CD2 4.35Å; T52-Y150 HydrophobicContact CG2-CE2 4.36Å; S95-Y150 WeakPolarHBondContact OG-CB 3.23Å; T97-Y150 WeakPolarHBondContact CB-O 3.32Å; T97-Y150 PolarHBondContact OG1-O 3.19Å; L98-Y150 HydrophobicContact CD1-CD1 3.97Å; L98-Y150 HydrophobicContact CD1-CE1 3.9Å; L98-Y150 HydrophobicContact CD1-CE2 4.42Å; L98-Y150 HydrophobicContact CD1-CG 4.3Å; L98-Y150 HydrophobicContact CD2-CD1 4.02Å; L98-Y150 HydrophobicContact CD2-CE1 3.39Å; L98-Y150 HydrophobicContact CG-CD1 3.66Å; L98-Y150 HydrophobicContact CG-CE1 3.57Å; L98-Y150 HydrophobicContact CG-CG 4.44Å; D147-Y150 PolarHBondContact OD1-N 3.09Å; D147-Y150 VanDerWaalsContact OD1-O 3.14Å |
| 151 | G | 82.3 | Confident | 88.7 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 166.3 | 174.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L153 V154 D155 | G151-L153 VanDerWaalsContact C-N 3.28Å; G151-L153 PolarHBondContact O-N 3.18Å; G151-V154 PolarHBondContact O-N 3.03Å; G151-D155 PolarHBondContact O-N 3.26Å |
| 152 | P | 84.1 | Confident | 88.8 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 16% | 0.156 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.3 | -42.9 | -173.4 | -27.6 | 34 | 0 | 0 | 0 | 113.6 | K126 T144 D155 C156 | K126-P152 HydrophobicContact CG-CB 4.12Å; K126-P152 HydrophobicContact CG-CG 4.07Å; T144-P152 HydrophobicContact CG2-CG 4.34Å; P152-D155 PolarHBondContact O-N 3.29Å; P152-C156 WeakPolarHBondContact O-CB 3.38Å; P152-C156 PolarHBondContact O-N 3.11Å; P152-C156 PolarHBondContact O-SG 3.37Å |
| 153 | L | 86.6 | Confident | 88.9 | Confident | 87 Ų | 87 | 50.3 Ų | 50.3 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 180 | -61.6 | -179.4 | 0 | 0 | 0 | 112 | T144 I145 G151 D155 C156 I157 | T144-L153 HydrophobicContact CG2-CD1 4.41Å; T144-L153 HydrophobicContact CG2-CG 4.24Å; I145-L153 HydrophobicContact CG2-CD1 4.46Å; G151-L153 VanDerWaalsContact C-N 3.28Å; G151-L153 PolarHBondContact O-N 3.18Å; L153-D155 VanDerWaalsContact C-N 3.33Å; L153-C156 PolarHBondContact O-N 3.1Å; L153-I157 VanDerWaalsContact O-CG1 3.25Å; L153-I157 WeakPolarHBondContact O-CG1 3.45Å; L153-I157 PolarHBondContact O-N 2.99Å |
| 154 | V | 87.3 | Confident | 89.1 | Confident | 17 Ų | 17 | 56 Ų | 56 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | 178.5 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | D147 G151 I157 K158 | D147-V154 WeakPolarHBondContact O-CG2 3.28Å; G151-V154 PolarHBondContact O-N 3.03Å; V154-I157 PolarHBondContact O-N 3.15Å; V154-K158 HydrophobicContact CG1-CD 4.18Å; V154-K158 HydrophobicContact CG1-CG 4.49Å; V154-K158 WeakPolarHBondContact O-CB 3.03Å; V154-K158 WeakPolarHBondContact O-CG 3.39Å; V154-K158 PolarHBondContact O-N 3.17Å |
| 155 | D | 87.9 | Confident | 89.5 | Confident | 96 Ų | 96 | 56.8 Ų | 56.8 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 176.2 | -68.3 | -17.7 | 0 | 0 | 0 | 111.1 | G151 P152 L153 K158 H159 | G151-D155 PolarHBondContact O-N 3.26Å; P152-D155 PolarHBondContact O-N 3.29Å; L153-D155 VanDerWaalsContact C-N 3.33Å; D155-K158 PolarHBondContact O-N 3.14Å; D155-H159 WeakPolarHBondContact O-CB 3.31Å; D155-H159 PolarHBondContact O-N 3.24Å |
| 156 | C | 91.1 | Very high | 89.8 | Confident | 85 Ų | 85 | 56.3 Ų | 56.3 | 57% | 0.574 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60 | -45.2 | 173.2 | -71.9 | 0 | 0 | 0 | 0 | 112 | P152 L153 H159 A160 | P152-C156 WeakPolarHBondContact O-CB 3.38Å; P152-C156 PolarHBondContact O-N 3.11Å; P152-C156 PolarHBondContact O-SG 3.37Å; L153-C156 PolarHBondContact O-N 3.1Å; C156-H159 PolarHBondContact O-N 3.44Å; C156-A160 WeakPolarHBondContact O-CB 3.46Å; C156-A160 PolarHBondContact O-N 3.44Å |
| 157 | I | 91.5 | Very high | 90.3 | Very high | 107 Ų | 107 | 56.6 Ų | 56.6 | 55% | 0.549 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 177 | -69.1 | 163.3 | 0 | 0 | 0 | 110.4 | L153 V154 H159 A160 V161 | L153-I157 VanDerWaalsContact O-CG1 3.25Å; L153-I157 WeakPolarHBondContact O-CG1 3.45Å; L153-I157 PolarHBondContact O-N 2.99Å; V154-I157 PolarHBondContact O-N 3.15Å; I157-H159 VanDerWaalsContact C-N 3.32Å; I157-H159 PolarHBondContact O-N 3.47Å; I157-A160 PolarHBondContact O-N 2.65Å; I157-V161 HydrophobicContact CG2-CG2 4.22Å; I157-V161 VanDerWaalsContact O-CB 3.28Å; I157-V161 WeakPolarHBondContact O-CB 3.43Å; I157-V161 VanDerWaalsContact O-CG2 3.23Å; I157-V161 WeakPolarHBondContact O-CG2 3.34Å; I157-V161 PolarHBondContact O-N 3.15Å |
| 158 | K | 91.9 | Very high | 90.7 | Very high | 86 Ų | 86 | 59.3 Ų | 59.3 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 178.4 | -76.4 | 174.5 | 176.5 | 177.6 | 0 | 112.1 | S45 V154 D155 G162 | S45-K158 VanDerWaalsContact OG-CE 3.31Å; S45-K158 WeakPolarHBondContact OG-CE 3.29Å; S45-K158 PolarHBondContact OG-NZ 2.97Å; V154-K158 HydrophobicContact CG1-CD 4.18Å; V154-K158 HydrophobicContact CG1-CG 4.49Å; V154-K158 WeakPolarHBondContact O-CB 3.03Å; V154-K158 WeakPolarHBondContact O-CG 3.39Å; V154-K158 PolarHBondContact O-N 3.17Å; D155-K158 PolarHBondContact O-N 3.14Å; K158-G162 PolarHBondContact O-N 3Å |
| 159 | H | 93.7 | Very high | 91.5 | Very high | 133 Ų | 133 | 57.2 Ų | 57.2 | 62% | 0.616 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.7 | -48 | 178 | -175.9 | 62.5 | 0 | 0 | 0 | 111.8 | D155 C156 I157 V161 G162 Q163 | D155-H159 WeakPolarHBondContact O-CB 3.31Å; D155-H159 PolarHBondContact O-N 3.24Å; C156-H159 PolarHBondContact O-N 3.44Å; I157-H159 VanDerWaalsContact C-N 3.32Å; I157-H159 PolarHBondContact O-N 3.47Å; H159-V161 VanDerWaalsContact C-N 3.34Å; H159-V161 PolarHBondContact O-N 3.36Å; H159-G162 PolarHBondContact O-N 3.15Å; H159-Q163 WeakPolarHBondContact O-CG 3.49Å; H159-Q163 PolarHBondContact O-N 2.91Å |
| 160 | A | 96.7 | Very high | 92.4 | Very high | 45 Ų | 45 | 60.4 Ų | 60.4 | 37% | 0.372 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C156 I157 G162 Q163 E164 | C156-A160 WeakPolarHBondContact O-CB 3.46Å; C156-A160 PolarHBondContact O-N 3.44Å; I157-A160 PolarHBondContact O-N 2.65Å; A160-G162 VanDerWaalsContact C-N 3.33Å; A160-G162 PolarHBondContact O-N 2.97Å; A160-Q163 PolarHBondContact O-N 3.41Å; A160-E164 WeakPolarHBondContact O-CG 3.49Å; A160-E164 PolarHBondContact O-N 2.92Å |
| 161 | V | 95.9 | Very high | 93.6 | Very high | 28 Ų | 28 | 60.1 Ų | 60.1 | 17% | 0.17 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 176.3 | 163.8 | 0 | 0 | 0 | 0 | 112.1 | I157 H159 E164 H165 A217 Y249 | I157-V161 HydrophobicContact CG2-CG2 4.22Å; I157-V161 VanDerWaalsContact O-CB 3.28Å; I157-V161 WeakPolarHBondContact O-CB 3.43Å; I157-V161 VanDerWaalsContact O-CG2 3.23Å; I157-V161 WeakPolarHBondContact O-CG2 3.34Å; I157-V161 PolarHBondContact O-N 3.15Å; H159-V161 VanDerWaalsContact C-N 3.34Å; H159-V161 PolarHBondContact O-N 3.36Å; V161-E164 PolarHBondContact O-N 3.16Å; V161-H165 PolarHBondContact O-N 3.21Å; V161-H165 PolarHBondContact O-ND1 3.04Å; V161-A217 HydrophobicContact CG1-CB 3.81Å; V161-Y249 HydrophobicContact CG1-CE2 3.89Å; V161-Y249 WeakPolarHBondContact CG1-OH 3.47Å |
| 162 | G | 96.6 | Very high | 94.3 | Very high | 15 Ų | 15 | 62.9 Ų | 62.9 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.3 | -51.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K158 H159 A160 E164 H165 E166 | K158-G162 PolarHBondContact O-N 3Å; H159-G162 PolarHBondContact O-N 3.15Å; A160-G162 VanDerWaalsContact C-N 3.33Å; A160-G162 PolarHBondContact O-N 2.97Å; G162-E164 VanDerWaalsContact C-N 3.34Å; G162-E164 PolarHBondContact O-N 3.01Å; G162-H165 PolarHBondContact O-N 3.15Å; G162-H165 VanDerWaalsContact O-N 3.1Å; G162-E166 PolarHBondContact O-N 3.42Å |
| 163 | Q | 96.4 | Very high | 94.9 | Very high | 81 Ų | 81 | 61.7 Ų | 61.7 | 38% | 0.379 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 178.6 | -69 | -65.5 | -62.1 | 0 | 0 | 112.6 | H159 A160 H165 E166 V167 | H159-Q163 WeakPolarHBondContact O-CG 3.49Å; H159-Q163 PolarHBondContact O-N 2.91Å; A160-Q163 PolarHBondContact O-N 3.41Å; Q163-H165 VanDerWaalsContact C-N 3.3Å; Q163-H165 PolarHBondContact O-N 2.95Å; Q163-E166 VanDerWaalsContact NE2-CD 3.35Å; Q163-E166 PolarHBondContact NE2-OE1 3.08Å; Q163-E166 VanDerWaalsContact NE2-OE1 3.16Å; Q163-E166 PolarHBondContact NE2-OE2 3.34Å; Q163-E166 PolarHBondContact O-N 3.16Å; Q163-V167 VanDerWaalsContact O-CG2 3.25Å; Q163-V167 WeakPolarHBondContact O-CG2 3.4Å; Q163-V167 PolarHBondContact O-N 2.97Å |
| 164 | E | 97.5 | Very high | 95.4 | Very high | 121 Ų | 121 | 62.2 Ų | 62.2 | 57% | 0.565 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.9 | -39.8 | 174.6 | -76.6 | 175.6 | -175.3 | 0 | 0 | 112.3 | A160 V161 G162 V167 L168 | A160-E164 WeakPolarHBondContact O-CG 3.49Å; A160-E164 PolarHBondContact O-N 2.92Å; V161-E164 PolarHBondContact O-N 3.16Å; G162-E164 VanDerWaalsContact C-N 3.34Å; G162-E164 PolarHBondContact O-N 3.01Å; E164-V167 PolarHBondContact O-N 3.29Å; E164-L168 WeakPolarHBondContact O-CB 3.2Å; E164-L168 PolarHBondContact O-N 3.41Å |
| 165 | H | 97.8 | Very high | 95.9 | Very high | 26 Ų | 26 | 67 Ų | 67 | 12% | 0.12 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -76.2 | -29.7 | 179.2 | -73.2 | 80.8 | 0 | 0 | 0 | 113 | V161 G162 Q163 L169 A217 W248 Y249 | V161-H165 PolarHBondContact O-N 3.21Å; V161-H165 PolarHBondContact O-ND1 3.04Å; G162-H165 PolarHBondContact O-N 3.15Å; G162-H165 VanDerWaalsContact O-N 3.1Å; Q163-H165 VanDerWaalsContact C-N 3.3Å; Q163-H165 PolarHBondContact O-N 2.95Å; H165-L169 WeakPolarHBondContact O-CB 3.26Å; H165-L169 PolarHBondContact O-N 2.79Å; H165-A217 HydrophobicContact CB-CB 4.1Å; H165-W248 HydrophobicContact CB-CD2 4.48Å; H165-W248 HydrophobicContact CB-CG 4.2Å; H165-W248 VanDerWaalsContact CD2-CB 3.45Å; H165-W248 WeakPolarHBondContact CD2-CB 3.37Å; H165-W248 AromaticContact CD2-CD1 3.54Å; H165-W248 AromaticContact CD2-CD2 3.47Å; H165-W248 VanDerWaalsContact CD2-CD2 3.47Å; H165-W248 AromaticContact CD2-CE2 3.95Å; H165-W248 AromaticContact CD2-CG 3.19Å; H165-W248 AromaticContact CD2-NE1 3.99Å; H165-W248 AromaticContact CG-CD1 3.73Å; H165-W248 AromaticContact CG-CG 3.86Å; H165-Y249 AromaticContact CE1-CE1 3.92Å; H165-Y249 AromaticContact CE1-CZ 3.74Å; H165-Y249 PolarHBondContact CE1-OH 3.17Å; H165-Y249 VanDerWaalsContact CE1-OH 3.26Å; H165-Y249 AromaticContact NE2-CE1 3.84Å |
| 166 | E | 97.2 | Very high | 96.2 | Very high | 43 Ų | 43 | 67.3 Ų | 67.3 | 20% | 0.201 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 169.3 | -70 | 165 | -139.8 | 0 | 0 | 111.4 | G162 Q163 L169 R170 | G162-E166 PolarHBondContact O-N 3.42Å; Q163-E166 VanDerWaalsContact NE2-CD 3.35Å; Q163-E166 PolarHBondContact NE2-OE1 3.08Å; Q163-E166 VanDerWaalsContact NE2-OE1 3.16Å; Q163-E166 PolarHBondContact NE2-OE2 3.34Å; Q163-E166 PolarHBondContact O-N 3.16Å; E166-L169 PolarHBondContact O-N 3.08Å; E166-R170 WeakPolarHBondContact O-CG 3.3Å; E166-R170 PolarHBondContact O-N 2.86Å; E166-R170 VanDerWaalsContact O-N 3.1Å |
| 167 | V | 97.8 | Very high | 96.4 | Very high | 57 Ų | 57 | 70.5 Ų | 70.5 | 35% | 0.345 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60 | -50.2 | 171.5 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | Q163 E164 L169 R170 D171 | Q163-V167 VanDerWaalsContact O-CG2 3.25Å; Q163-V167 WeakPolarHBondContact O-CG2 3.4Å; Q163-V167 PolarHBondContact O-N 2.97Å; E164-V167 PolarHBondContact O-N 3.29Å; V167-L169 VanDerWaalsContact C-N 3.28Å; V167-L169 PolarHBondContact O-N 3.22Å; V167-R170 WeakPolarHBondContact O-CB 3.5Å; V167-R170 PolarHBondContact O-N 2.94Å; V167-R170 VanDerWaalsContact O-N 3.11Å; V167-D171 PolarHBondContact O-N 3.06Å |
| 168 | L | 98.1 | Very high | 96.6 | Very high | 65 Ų | 65 | 66.3 Ų | 66.3 | 34% | 0.34 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57 | -41.7 | 178.2 | 177.5 | 63.9 | 0 | 0 | 0 | 112 | E164 D171 K172 W248 | E164-L168 WeakPolarHBondContact O-CB 3.2Å; E164-L168 PolarHBondContact O-N 3.41Å; L168-D171 PolarHBondContact O-N 2.97Å; L168-K172 HydrophobicContact CD1-CG 4.24Å; L168-K172 HydrophobicContact CG-CG 4.48Å; L168-K172 WeakPolarHBondContact O-CB 3.32Å; L168-K172 WeakPolarHBondContact O-CG 3.45Å; L168-K172 PolarHBondContact O-N 3.17Å; L168-W248 HydrophobicContact CD2-CH2 4.13Å; L168-W248 HydrophobicContact CD2-CZ3 4.02Å; L168-W248 HydrophobicContact CG-CH2 4.42Å |
| 169 | L | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 176.4 | 175.8 | 57.3 | 0 | 0 | 0 | 111.1 | H165 E166 V167 D171 K172 L173 I197 I213 I246 W248 F269 | H165-L169 WeakPolarHBondContact O-CB 3.26Å; H165-L169 PolarHBondContact O-N 2.79Å; E166-L169 PolarHBondContact O-N 3.08Å; V167-L169 VanDerWaalsContact C-N 3.28Å; V167-L169 PolarHBondContact O-N 3.22Å; L169-D171 PolarHBondContact O-N 3.41Å; L169-K172 PolarHBondContact O-N 2.9Å; L169-L173 HydrophobicContact CD1-CD1 4.18Å; L169-L173 HydrophobicContact CD1-CG 4.29Å; L169-L173 HydrophobicContact CG-CD1 4.13Å; L169-L173 WeakPolarHBondContact O-CG 3.43Å; L169-L173 PolarHBondContact O-N 3.41Å; L169-I197 HydrophobicContact CD2-CG1 3.67Å; L169-I197 HydrophobicContact CG-CG1 4.11Å; L169-I213 HydrophobicContact CD1-CD1 4.35Å; L169-I213 HydrophobicContact CD1-CG2 4.09Å; L169-I213 HydrophobicContact CD2-CB 4.31Å; L169-I213 HydrophobicContact CD2-CG2 3.82Å; L169-I246 HydrophobicContact CD1-CD1 4.12Å; L169-W248 HydrophobicContact CB-CZ2 4.29Å; L169-F269 HydrophobicContact CD1-CD2 3.7Å; L169-F269 HydrophobicContact CD1-CE2 3.85Å |
| 170 | R | 98.1 | Very high | 97 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 27% | 0.272 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 177.8 | -72.3 | -176.4 | -74.7 | 108.7 | -10.3 | 111.9 | E166 V167 K172 L173 M174 F180 I197 | E166-R170 WeakPolarHBondContact O-CG 3.3Å; E166-R170 PolarHBondContact O-N 2.86Å; E166-R170 VanDerWaalsContact O-N 3.1Å; V167-R170 WeakPolarHBondContact O-CB 3.5Å; V167-R170 PolarHBondContact O-N 2.94Å; V167-R170 VanDerWaalsContact O-N 3.11Å; R170-K172 VanDerWaalsContact C-N 3.32Å; R170-K172 PolarHBondContact O-N 3.35Å; R170-L173 PolarHBondContact O-N 3.36Å; R170-M174 HydrophobicContact CB-CE 4.02Å; R170-M174 WeakPolarHBondContact O-CE 3.47Å; R170-M174 WeakPolarHBondContact O-CG 3.47Å; R170-M174 PolarHBondContact O-N 3.17Å; R170-F180 HydrophobicContact CB-CE2 4.4Å; R170-F180 HydrophobicContact CB-CZ 4.01Å; R170-F180 HydrophobicContact CG-CE2 3.85Å; R170-F180 HydrophobicContact CG-CZ 3.98Å; R170-I197 HydrophobicContact CG-CD1 3.86Å |
| 171 | D | 98.1 | Very high | 97 | Very high | 70 Ų | 70 | 60.1 Ų | 60.1 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 176.9 | -68 | -13 | 0 | 0 | 0 | 111 | V167 L168 L169 L173 M174 E175 | V167-D171 PolarHBondContact O-N 3.06Å; L168-D171 PolarHBondContact O-N 2.97Å; L169-D171 PolarHBondContact O-N 3.41Å; D171-L173 PolarHBondContact O-N 3.36Å; D171-M174 PolarHBondContact O-N 2.88Å; D171-E175 WeakPolarHBondContact O-CB 3.41Å; D171-E175 VanDerWaalsContact O-CG 3.3Å; D171-E175 WeakPolarHBondContact O-CG 3.41Å; D171-E175 PolarHBondContact O-N 3.44Å |
| 172 | K | 97.8 | Very high | 97 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 27% | 0.265 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 177.6 | -69.6 | -74.2 | 159.9 | -122.6 | 0 | 113.1 | L168 L169 R170 E175 R176 F269 | L168-K172 HydrophobicContact CD1-CG 4.24Å; L168-K172 HydrophobicContact CG-CG 4.48Å; L168-K172 WeakPolarHBondContact O-CB 3.32Å; L168-K172 WeakPolarHBondContact O-CG 3.45Å; L168-K172 PolarHBondContact O-N 3.17Å; L169-K172 PolarHBondContact O-N 2.9Å; R170-K172 VanDerWaalsContact C-N 3.32Å; R170-K172 PolarHBondContact O-N 3.35Å; K172-E175 IonicContact NZ-OE1 2.64Å; K172-E175 PolarHBondContact NZ-OE1 3.01Å; K172-E175 IonicContact NZ-OE2 2.66Å; K172-E175 PolarHBondContact NZ-OE2 2.93Å; K172-R176 VanDerWaalsContact O-CG 3.31Å; K172-R176 WeakPolarHBondContact O-CG 3.22Å; K172-R176 PolarHBondContact O-N 2.88Å; K172-F269 HydrophobicContact CB-CD1 3.87Å; K172-F269 HydrophobicContact CB-CD2 3.85Å; K172-F269 HydrophobicContact CB-CE1 3.95Å; K172-F269 HydrophobicContact CB-CE2 3.94Å; K172-F269 HydrophobicContact CB-CG 3.81Å; K172-F269 HydrophobicContact CB-CZ 3.98Å; K172-F269 HydrophobicContact CD-CD1 4.39Å; K172-F269 HydrophobicContact CG-CB 4.44Å; K172-F269 HydrophobicContact CG-CD1 4.39Å; K172-F269 HydrophobicContact CG-CG 4.24Å |
| 173 | L | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 174 | -69.6 | 166.5 | 0 | 0 | 0 | 111.4 | L169 R170 D171 R176 N177 L178 F180 I197 L199 I213 F269 | L169-L173 HydrophobicContact CD1-CD1 4.18Å; L169-L173 HydrophobicContact CD1-CG 4.29Å; L169-L173 HydrophobicContact CG-CD1 4.13Å; L169-L173 WeakPolarHBondContact O-CG 3.43Å; L169-L173 PolarHBondContact O-N 3.41Å; R170-L173 PolarHBondContact O-N 3.36Å; D171-L173 PolarHBondContact O-N 3.36Å; L173-R176 CarbonylContact O-C 3.5Å; L173-R176 PolarHBondContact O-N 3.39Å; L173-R176 VanDerWaalsContact O-N 3.15Å; L173-N177 PolarHBondContact O-N 3.49Å; L173-L178 HydrophobicContact CD2-CB 4.15Å; L173-L178 HydrophobicContact CD2-CD1 3.76Å; L173-L178 PolarHBondContact O-N 3.12Å; L173-F180 HydrophobicContact CB-CD1 3.64Å; L173-F180 HydrophobicContact CB-CE1 3.52Å; L173-F180 HydrophobicContact CB-CZ 4.43Å; L173-F180 HydrophobicContact CD1-CD1 3.83Å; L173-F180 HydrophobicContact CD1-CD2 4.43Å; L173-F180 HydrophobicContact CD1-CE1 4.1Å; L173-F180 HydrophobicContact CD1-CG 4.02Å; L173-F180 HydrophobicContact CG-CD1 4.31Å; L173-F180 HydrophobicContact CG-CE1 4.46Å; L173-I197 HydrophobicContact CD1-CB 4.39Å; L173-I197 HydrophobicContact CD1-CD1 4.08Å; L173-I197 HydrophobicContact CD1-CG1 3.94Å; L173-I197 HydrophobicContact CD1-CG2 3.7Å; L173-L199 HydrophobicContact CD2-CD2 3.82Å; L173-I213 HydrophobicContact CD2-CD1 3.99Å; L173-F269 HydrophobicContact CD2-CE2 3.83Å; L173-F269 HydrophobicContact CD2-CZ 4.02Å; L173-F269 HydrophobicContact CG-CE2 4.08Å; L173-F269 HydrophobicContact CG-CZ 4.45Å |
| 174 | M | 96.9 | Very high | 96.8 | Very high | 97 Ų | 97 | 63.6 Ų | 63.6 | 48% | 0.478 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 176.4 | -73.5 | -173.6 | -98.1 | 0 | 0 | 112.2 | R170 D171 R176 N177 F180 | R170-M174 HydrophobicContact CB-CE 4.02Å; R170-M174 WeakPolarHBondContact O-CE 3.47Å; R170-M174 WeakPolarHBondContact O-CG 3.47Å; R170-M174 PolarHBondContact O-N 3.17Å; D171-M174 PolarHBondContact O-N 2.88Å; M174-R176 PolarHBondContact O-N 3.23Å; M174-R176 VanDerWaalsContact O-N 3.14Å; M174-N177 PolarHBondContact O-N 3.44Å; M174-F180 HydrophobicContact CE-CZ 4.49Å; M174-F180 HydrophobicContact CG-CE1 4Å; M174-F180 HydrophobicContact CG-CZ 4.28Å |
| 175 | E | 96.6 | Very high | 96.7 | Very high | 119 Ų | 119 | 61.7 Ų | 61.7 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -56.4 | -28.6 | 174 | -76.4 | 172.4 | -158.7 | 0 | 0 | 112.7 | D171 K172 | D171-E175 WeakPolarHBondContact O-CB 3.41Å; D171-E175 VanDerWaalsContact O-CG 3.3Å; D171-E175 WeakPolarHBondContact O-CG 3.41Å; D171-E175 PolarHBondContact O-N 3.44Å; K172-E175 IonicContact NZ-OE1 2.64Å; K172-E175 PolarHBondContact NZ-OE1 3.01Å; K172-E175 IonicContact NZ-OE2 2.66Å; K172-E175 PolarHBondContact NZ-OE2 2.93Å |
| 176 | R | 94.4 | Very high | 96.6 | Very high | 101 Ų | 101 | 60.6 Ų | 60.6 | 38% | 0.381 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 4.3 | 177.9 | -64 | -58.6 | -174 | 102.1 | -5 | 113.8 | K172 L173 M174 L178 F269 T271 | K172-R176 VanDerWaalsContact O-CG 3.31Å; K172-R176 WeakPolarHBondContact O-CG 3.22Å; K172-R176 PolarHBondContact O-N 2.88Å; L173-R176 CarbonylContact O-C 3.5Å; L173-R176 PolarHBondContact O-N 3.39Å; L173-R176 VanDerWaalsContact O-N 3.15Å; M174-R176 PolarHBondContact O-N 3.23Å; M174-R176 VanDerWaalsContact O-N 3.14Å; R176-L178 HydrophobicContact CB-CD1 4.08Å; R176-L178 HydrophobicContact CB-CG 3.96Å; R176-L178 PolarHBondContact O-N 3Å; R176-F269 HydrophobicContact CG-CE1 4.04Å; R176-F269 HydrophobicContact CG-CZ 4.42Å; R176-T271 PolarHBondContact NH1-O 3.43Å; R176-T271 PolarHBondContact NH2-O 3.29Å |
| 177 | N | 94.7 | Very high | 96.4 | Very high | 152 Ų | 152 | 65.3 Ų | 65.3 | 81% | 0.813 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 36.9 | -175.3 | -59.1 | -59.5 | 0 | 0 | 0 | 113.1 | L173 M174 | L173-N177 PolarHBondContact O-N 3.49Å; M174-N177 PolarHBondContact O-N 3.44Å |
| 178 | L | 96.2 | Very high | 96.3 | Very high | 20 Ų | 20 | 68.6 Ų | 68.6 | 11% | 0.105 | 34% | 0.338 | C | S | . | . | trans | -89.2 | 128.8 | 174.6 | -63.1 | 176.1 | 0 | 0 | 0 | 109.1 | L173 R176 F180 V203 I273 T275 | L173-L178 HydrophobicContact CD2-CB 4.15Å; L173-L178 HydrophobicContact CD2-CD1 3.76Å; L173-L178 PolarHBondContact O-N 3.12Å; R176-L178 HydrophobicContact CB-CD1 4.08Å; R176-L178 HydrophobicContact CB-CG 3.96Å; R176-L178 PolarHBondContact O-N 3Å; L178-F180 WeakPolarHBondContact O-CD1 3.38Å; L178-V203 HydrophobicContact CD2-CG1 3.88Å; L178-I273 HydrophobicContact CD1-CD1 3.82Å; L178-I273 HydrophobicContact CD1-CG2 4.21Å; L178-T275 HydrophobicContact CD2-CG2 3.64Å | ||
| 179 | S | 96 | Very high | 96.1 | Very high | 63 Ų | 63 | 71 Ų | 71 | 44% | 0.441 | 35% | 0.348 | S | S | . | . | trans | -83.5 | 135.6 | 176.2 | -159.7 | 0 | 0 | 0 | 0 | 110.6 | E200 | S179-E200 VanDerWaalsContact CB-OE2 3.27Å; S179-E200 WeakPolarHBondContact CB-OE2 3.46Å; S179-E200 PolarHBondContact O-N 2.93Å; S179-E200 PolarHBondContact OG-OE2 3.24Å | ||
| 180 | F | 97.7 | Very high | 95.8 | Very high | 35 Ų | 35 | 74 Ų | 74 | 15% | 0.154 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 160.6 | -174.2 | 66.8 | -94.2 | 0 | 0 | 0 | 113.3 | R170 L173 M174 L178 I197 I198 L199 | R170-F180 HydrophobicContact CB-CE2 4.4Å; R170-F180 HydrophobicContact CB-CZ 4.01Å; R170-F180 HydrophobicContact CG-CE2 3.85Å; R170-F180 HydrophobicContact CG-CZ 3.98Å; L173-F180 HydrophobicContact CB-CD1 3.64Å; L173-F180 HydrophobicContact CB-CE1 3.52Å; L173-F180 HydrophobicContact CB-CZ 4.43Å; L173-F180 HydrophobicContact CD1-CD1 3.83Å; L173-F180 HydrophobicContact CD1-CD2 4.43Å; L173-F180 HydrophobicContact CD1-CE1 4.1Å; L173-F180 HydrophobicContact CD1-CG 4.02Å; L173-F180 HydrophobicContact CG-CD1 4.31Å; L173-F180 HydrophobicContact CG-CE1 4.46Å; M174-F180 HydrophobicContact CE-CZ 4.49Å; M174-F180 HydrophobicContact CG-CE1 4Å; M174-F180 HydrophobicContact CG-CZ 4.28Å; L178-F180 WeakPolarHBondContact O-CD1 3.38Å; F180-I197 HydrophobicContact CB-CG2 3.75Å; F180-I197 HydrophobicContact CD2-CD1 3.59Å; F180-I197 HydrophobicContact CD2-CG2 4.24Å; F180-I197 HydrophobicContact CE2-CD1 3.81Å; F180-I197 HydrophobicContact CG-CD1 4.41Å; F180-I197 HydrophobicContact CG-CG2 4.16Å; F180-I198 CarbonylContact C-O 3.56Å; F180-I198 WeakPolarHBondContact CA-O 3.4Å; F180-I198 VanDerWaalsContact CB-O 3.31Å; F180-I198 WeakPolarHBondContact CB-O 3.38Å; F180-L199 HydrophobicContact CB-CD2 4.3Å |
| 181 | L | 97.5 | Very high | 95.4 | Very high | 35 Ų | 35 | 75.3 Ų | 75.3 | 18% | 0.183 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 134.4 | 167.8 | -60.7 | 175.1 | 0 | 0 | 0 | 109.8 | Q185 L186 M189 I197 I198 E200 | L181-Q185 VanDerWaalsContact CA-OE1 3.26Å; L181-L186 HydrophobicContact CB-CD2 4.05Å; L181-L186 HydrophobicContact CB-CG 4.34Å; L181-L186 HydrophobicContact CD1-CD2 4.07Å; L181-M189 HydrophobicContact CD1-CE 3.84Å; L181-M189 HydrophobicContact CD1-SD 3.99Å; L181-M189 HydrophobicContact CD2-CE 3.96Å; L181-I197 WeakPolarHBondContact O-CA 3.25Å; L181-I198 PolarHBondContact N-O 2.89Å; L181-I198 PolarHBondContact O-N 3.19Å; L181-E200 HydrophobicContact CG-CG 4.47Å |
| 182 | D | 96.7 | Very high | 94.9 | Very high | 37 Ų | 37 | 77.7 Ų | 77.7 | 20% | 0.198 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 167.8 | 174.1 | 71.3 | 35.9 | 0 | 0 | 0 | 113 | N184 Q185 L186 I197 | D182-N184 VanDerWaalsContact C-N 3.26Å; D182-N184 PolarHBondContact O-N 2.97Å; D182-N184 WeakPolarHBondContact OD1-CB 3.21Å; D182-N184 PolarHBondContact OD1-N 3.31Å; D182-Q185 PolarHBondContact O-N 2.98Å; D182-Q185 VanDerWaalsContact O-N 3.16Å; D182-Q185 WeakPolarHBondContact OD1-CG 3.23Å; D182-Q185 PolarHBondContact OD1-N 3.25Å; D182-L186 WeakPolarHBondContact O-CG 3.39Å; D182-L186 PolarHBondContact O-N 2.99Å; D182-I197 HydrophobicContact CB-CD1 4.37Å |
| 183 | E | 93.9 | Very high | 94.5 | Very high | 48 Ų | 48 | 79 Ų | 79 | 22% | 0.224 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -53.6 | -38.9 | -178.8 | -157.5 | -162.4 | 178.9 | 0 | 0 | 113.7 | L186 R187 T194 D196 | E183-L186 PolarHBondContact O-N 3.05Å; E183-R187 WeakPolarHBondContact O-CB 3.33Å; E183-R187 VanDerWaalsContact O-CG 3.26Å; E183-R187 WeakPolarHBondContact O-CG 3.47Å; E183-R187 PolarHBondContact O-N 3.32Å; E183-R187 IonicContact OE1-CZ 2.94Å; E183-R187 VanDerWaalsContact OE1-CZ 3.23Å; E183-R187 IonicContact OE1-NE 3.94Å; E183-R187 PolarHBondContact OE1-NE 3.42Å; E183-R187 IonicContact OE1-NH2 3.18Å; E183-R187 PolarHBondContact OE1-NH2 3.15Å; E183-R187 IonicContact OE2-NE 2.86Å; E183-T194 WeakPolarHBondContact CG-OG1 3.23Å; E183-T194 PolarHBondContact OE1-OG1 2.87Å; E183-D196 PolarHBondContact N-O 3.27Å; E183-D196 VanDerWaalsContact N-O 3.15Å |
| 184 | N | 93.9 | Very high | 94.3 | Very high | 113 Ų | 113 | 79.3 Ų | 79.3 | 60% | 0.604 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -69.3 | -39.8 | -178.5 | -71.6 | -44.7 | 0 | 0 | 0 | 111.5 | D182 R187 T188 | D182-N184 VanDerWaalsContact C-N 3.26Å; D182-N184 PolarHBondContact O-N 2.97Å; D182-N184 WeakPolarHBondContact OD1-CB 3.21Å; D182-N184 PolarHBondContact OD1-N 3.31Å; N184-R187 PolarHBondContact O-N 3.3Å; N184-T188 WeakPolarHBondContact O-CB 3.28Å; N184-T188 PolarHBondContact O-N 3Å; N184-T188 PolarHBondContact O-OG1 2.93Å |
| 185 | Q | 96.3 | Very high | 94.3 | Very high | 81 Ų | 81 | 74.7 Ų | 74.7 | 38% | 0.379 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 173.7 | -67.7 | 171.1 | -31.5 | 0 | 0 | 110.6 | L181 D182 R187 T188 M189 | L181-Q185 VanDerWaalsContact CA-OE1 3.26Å; D182-Q185 PolarHBondContact O-N 2.98Å; D182-Q185 VanDerWaalsContact O-N 3.16Å; D182-Q185 WeakPolarHBondContact OD1-CG 3.23Å; D182-Q185 PolarHBondContact OD1-N 3.25Å; Q185-R187 PolarHBondContact O-N 2.95Å; Q185-T188 WeakPolarHBondContact O-CB 3.48Å; Q185-T188 PolarHBondContact O-N 2.91Å; Q185-T188 VanDerWaalsContact O-N 3.15Å; Q185-M189 WeakPolarHBondContact O-CG 3.39Å; Q185-M189 PolarHBondContact O-N 2.82Å |
| 186 | L | 94.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 177.2 | -63.8 | 172.8 | 0 | 0 | 0 | 112.1 | L181 D182 E183 T188 M189 G190 Y191 T194 P195 I198 | L181-L186 HydrophobicContact CB-CD2 4.05Å; L181-L186 HydrophobicContact CB-CG 4.34Å; L181-L186 HydrophobicContact CD1-CD2 4.07Å; D182-L186 WeakPolarHBondContact O-CG 3.39Å; D182-L186 PolarHBondContact O-N 2.99Å; E183-L186 PolarHBondContact O-N 3.05Å; L186-T188 VanDerWaalsContact C-N 3.32Å; L186-T188 PolarHBondContact O-N 3.33Å; L186-M189 CarbonylContact O-C 3.2Å; L186-M189 WeakPolarHBondContact O-CB 3.45Å; L186-M189 PolarHBondContact O-N 3.02Å; L186-M189 VanDerWaalsContact O-N 3.15Å; L186-G190 PolarHBondContact O-N 3.25Å; L186-Y191 HydrophobicContact CB-CD2 4.11Å; L186-Y191 HydrophobicContact CD2-CD2 4.03Å; L186-Y191 HydrophobicContact CD2-CE2 4.12Å; L186-Y191 VanDerWaalsContact O-CD2 3.31Å; L186-Y191 WeakPolarHBondContact O-CD2 3.42Å; L186-Y191 PolarHBondContact O-N 2.55Å; L186-T194 HydrophobicContact CB-CG2 3.5Å; L186-T194 HydrophobicContact CD1-CG2 4.26Å; L186-P195 HydrophobicContact CD1-CG 4.46Å; L186-I198 HydrophobicContact CD1-CB 4.39Å; L186-I198 HydrophobicContact CD1-CD1 3.76Å; L186-I198 HydrophobicContact CD1-CG1 3.76Å; L186-I198 HydrophobicContact CD2-CB 4.45Å; L186-I198 HydrophobicContact CD2-CD1 3.7Å; L186-I198 HydrophobicContact CD2-CG1 4.28Å; L186-I198 HydrophobicContact CG-CD1 4.4Å |
| 187 | R | 94.1 | Very high | 94.6 | Very high | 143 Ų | 143 | 65.2 Ų | 65.2 | 54% | 0.54 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 175 | -73.3 | 168.2 | 177.5 | -107 | 11.1 | 111.9 | E183 N184 Q185 M189 G190 T194 | E183-R187 WeakPolarHBondContact O-CB 3.33Å; E183-R187 VanDerWaalsContact O-CG 3.26Å; E183-R187 WeakPolarHBondContact O-CG 3.47Å; E183-R187 PolarHBondContact O-N 3.32Å; E183-R187 IonicContact OE1-CZ 2.94Å; E183-R187 VanDerWaalsContact OE1-CZ 3.23Å; E183-R187 IonicContact OE1-NE 3.94Å; E183-R187 PolarHBondContact OE1-NE 3.42Å; E183-R187 IonicContact OE1-NH2 3.18Å; E183-R187 PolarHBondContact OE1-NH2 3.15Å; E183-R187 IonicContact OE2-NE 2.86Å; N184-R187 PolarHBondContact O-N 3.3Å; Q185-R187 PolarHBondContact O-N 2.95Å; R187-M189 VanDerWaalsContact C-N 3.26Å; R187-M189 PolarHBondContact O-N 3.31Å; R187-G190 PolarHBondContact O-N 2.89Å; R187-T194 HydrophobicContact CG-CG2 4.24Å |
| 188 | T | 95.4 | Very high | 94.7 | Very high | 126 Ų | 126 | 58.5 Ų | 58.5 | 77% | 0.773 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.3 | -32.9 | 175.3 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | N184 Q185 L186 G190 | N184-T188 WeakPolarHBondContact O-CB 3.28Å; N184-T188 PolarHBondContact O-N 3Å; N184-T188 PolarHBondContact O-OG1 2.93Å; Q185-T188 WeakPolarHBondContact O-CB 3.48Å; Q185-T188 PolarHBondContact O-N 2.91Å; Q185-T188 VanDerWaalsContact O-N 3.15Å; L186-T188 VanDerWaalsContact C-N 3.32Å; L186-T188 PolarHBondContact O-N 3.33Å; T188-G190 PolarHBondContact O-N 2.89Å |
| 189 | M | 92.9 | Very high | 94.8 | Very high | 114 Ų | 114 | 57.6 Ų | 57.6 | 56% | 0.562 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -3.6 | 173.5 | -65.4 | 175.3 | -172.9 | 0 | 0 | 113.7 | L181 Q185 L186 R187 Y191 | L181-M189 HydrophobicContact CD1-CE 3.84Å; L181-M189 HydrophobicContact CD1-SD 3.99Å; L181-M189 HydrophobicContact CD2-CE 3.96Å; Q185-M189 WeakPolarHBondContact O-CG 3.39Å; Q185-M189 PolarHBondContact O-N 2.82Å; L186-M189 CarbonylContact O-C 3.2Å; L186-M189 WeakPolarHBondContact O-CB 3.45Å; L186-M189 PolarHBondContact O-N 3.02Å; L186-M189 VanDerWaalsContact O-N 3.15Å; R187-M189 VanDerWaalsContact C-N 3.26Å; R187-M189 PolarHBondContact O-N 3.31Å; M189-Y191 HydrophobicContact CB-CD2 3.98Å; M189-Y191 HydrophobicContact CB-CE2 3.96Å; M189-Y191 HydrophobicContact SD-CE2 4.45Å |
| 190 | G | 92.8 | Very high | 94.8 | Very high | 64 Ų | 64 | 59.7 Ų | 59.7 | 66% | 0.66 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | 13.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L186 R187 T188 | L186-G190 PolarHBondContact O-N 3.25Å; R187-G190 PolarHBondContact O-N 2.89Å; T188-G190 PolarHBondContact O-N 2.89Å |
| 191 | Y | 90.6 | Very high | 94.6 | Very high | 100 Ų | 100 | 61.5 Ų | 61.5 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | trans | -73.2 | 129 | 173.3 | -66.9 | -78.8 | 0 | 0 | 0 | 111.2 | L186 M189 F240 | L186-Y191 HydrophobicContact CB-CD2 4.11Å; L186-Y191 HydrophobicContact CD2-CD2 4.03Å; L186-Y191 HydrophobicContact CD2-CE2 4.12Å; L186-Y191 VanDerWaalsContact O-CD2 3.31Å; L186-Y191 WeakPolarHBondContact O-CD2 3.42Å; L186-Y191 PolarHBondContact O-N 2.55Å; M189-Y191 HydrophobicContact CB-CD2 3.98Å; M189-Y191 HydrophobicContact CB-CE2 3.96Å; M189-Y191 HydrophobicContact SD-CE2 4.45Å; Y191-F240 HydrophobicContact CD1-CE1 4.24Å; Y191-F240 AromaticContact CD1-CZ 3.88Å; Y191-F240 HydrophobicContact CD1-CZ 3.88Å; Y191-F240 AromaticContact CE1-CE1 3.81Å; Y191-F240 HydrophobicContact CE1-CE1 3.81Å; Y191-F240 AromaticContact CE1-CZ 3.95Å; Y191-F240 HydrophobicContact CE1-CZ 3.95Å; Y191-F240 HydrophobicContact CG-CZ 4.5Å | ||
| 192 | D | 86.1 | Confident | 94.6 | Very high | 120 Ų | 120 | 61.6 Ų | 61.6 | 64% | 0.642 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -85.9 | -23.1 | 178.3 | 62.7 | -45.3 | 0 | 0 | 0 | 113.7 | R239 | D192-R239 VanDerWaalsContact CG-NH2 3.3Å; D192-R239 IonicContact OD1-CZ 2.75Å; D192-R239 IonicContact OD1-NH1 2.69Å; D192-R239 PolarHBondContact OD1-NH1 3.42Å; D192-R239 IonicContact OD1-NH2 2.97Å; D192-R239 PolarHBondContact OD1-NH2 2.82Å; D192-R239 IonicContact OD2-CZ 3.79Å; D192-R239 IonicContact OD2-NH1 3.85Å; D192-R239 IonicContact OD2-NH2 3.14Å; D192-R239 PolarHBondContact OD2-NH2 3.03Å |
| 193 | K | 90.3 | Very high | 94.6 | Very high | 88 Ų | 88 | 60 Ų | 60 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -129.4 | 118.4 | 173.7 | -64 | -70.7 | -173.7 | 168.2 | 0 | 108.6 | Y236 R239 | K193-Y236 HydrophobicContact CB-CE1 4.14Å; K193-R239 PolarHBondContact O-NH1 3.19Å |
| 194 | T | 93.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | trans | -130.8 | 126.3 | -170 | 48.3 | 0 | 0 | 0 | 0 | 109.6 | E183 L186 R187 Y236 | E183-T194 WeakPolarHBondContact CG-OG1 3.23Å; E183-T194 PolarHBondContact OE1-OG1 2.87Å; L186-T194 HydrophobicContact CB-CG2 3.5Å; L186-T194 HydrophobicContact CD1-CG2 4.26Å; R187-T194 HydrophobicContact CG-CG2 4.24Å; T194-Y236 PolarHBondContact O-OH 2.92Å; T194-Y236 VanDerWaalsContact O-OH 3.1Å | ||
| 195 | P | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -68.4 | 166.9 | 161.4 | 33.5 | -35.3 | 0 | 0 | 0 | 109.4 | L186 I197 I198 W212 Y236 | L186-P195 HydrophobicContact CD1-CG 4.46Å; P195-I197 PolarHBondContact O-N 3.13Å; P195-I198 HydrophobicContact CG-CD1 4.17Å; P195-I198 HydrophobicContact CG-CG1 3.61Å; P195-W212 HydrophobicContact CB-CB 4.04Å; P195-W212 HydrophobicContact CB-CD2 4.32Å; P195-W212 HydrophobicContact CB-CE3 3.93Å; P195-W212 HydrophobicContact CB-CG 4.41Å; P195-W212 HydrophobicContact CG-CB 3.71Å; P195-W212 HydrophobicContact CG-CG 4.31Å; P195-Y236 HydrophobicContact CB-CD2 3.99Å; P195-Y236 HydrophobicContact CB-CE2 4.11Å; P195-Y236 HydrophobicContact CB-CG 4.31Å | ||
| 196 | D | 97.7 | Very high | 94.7 | Very high | 17 Ų | 17 | 52.5 Ų | 52.5 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -60.8 | -36 | 177 | -61.8 | -39.9 | 0 | 0 | 0 | 112.2 | E183 S215 | E183-D196 PolarHBondContact N-O 3.27Å; E183-D196 VanDerWaalsContact N-O 3.15Å; D196-S215 WeakPolarHBondContact OD2-CA 3.39Å; D196-S215 VanDerWaalsContact OD2-CB 3.23Å; D196-S215 WeakPolarHBondContact OD2-CB 3.41Å; D196-S215 PolarHBondContact OD2-N 3.35Å |
| 197 | I | 98.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.015 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 136.4 | -178.9 | -61.2 | -66.5 | 0 | 0 | 0 | 111 | L169 R170 L173 F180 L181 D182 P195 L199 W212 I213 | L169-I197 HydrophobicContact CD2-CG1 3.67Å; L169-I197 HydrophobicContact CG-CG1 4.11Å; R170-I197 HydrophobicContact CG-CD1 3.86Å; L173-I197 HydrophobicContact CD1-CB 4.39Å; L173-I197 HydrophobicContact CD1-CD1 4.08Å; L173-I197 HydrophobicContact CD1-CG1 3.94Å; L173-I197 HydrophobicContact CD1-CG2 3.7Å; F180-I197 HydrophobicContact CB-CG2 3.75Å; F180-I197 HydrophobicContact CD2-CD1 3.59Å; F180-I197 HydrophobicContact CD2-CG2 4.24Å; F180-I197 HydrophobicContact CE2-CD1 3.81Å; F180-I197 HydrophobicContact CG-CD1 4.41Å; F180-I197 HydrophobicContact CG-CG2 4.16Å; L181-I197 WeakPolarHBondContact O-CA 3.25Å; D182-I197 HydrophobicContact CB-CD1 4.37Å; P195-I197 PolarHBondContact O-N 3.13Å; I197-L199 HydrophobicContact CG2-CD2 4.24Å; I197-W212 CarbonylContact O-C 3.59Å; I197-W212 VanDerWaalsContact O-CA 3.24Å; I197-W212 WeakPolarHBondContact O-CA 3.47Å; I197-W212 WeakPolarHBondContact O-CB 3.5Å; I197-I213 HydrophobicContact CB-CB 4.25Å; I197-I213 PolarHBondContact N-O 3.07Å; I197-I213 VanDerWaalsContact N-O 3.1Å; I197-I213 PolarHBondContact O-N 2.93Å |
| 198 | I | 98 | Very high | 94.7 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 6% | 0.056 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.7 | 158.5 | -68.4 | -175.4 | 0 | 0 | 0 | 108.8 | F180 L181 L186 P195 W212 F240 | F180-I198 CarbonylContact C-O 3.56Å; F180-I198 WeakPolarHBondContact CA-O 3.4Å; F180-I198 VanDerWaalsContact CB-O 3.31Å; F180-I198 WeakPolarHBondContact CB-O 3.38Å; L181-I198 PolarHBondContact N-O 2.89Å; L181-I198 PolarHBondContact O-N 3.19Å; L186-I198 HydrophobicContact CD1-CB 4.39Å; L186-I198 HydrophobicContact CD1-CD1 3.76Å; L186-I198 HydrophobicContact CD1-CG1 3.76Å; L186-I198 HydrophobicContact CD2-CB 4.45Å; L186-I198 HydrophobicContact CD2-CD1 3.7Å; L186-I198 HydrophobicContact CD2-CG1 4.28Å; L186-I198 HydrophobicContact CG-CD1 4.4Å; P195-I198 HydrophobicContact CG-CD1 4.17Å; P195-I198 HydrophobicContact CG-CG1 3.61Å; I198-W212 HydrophobicContact CG1-CB 4.26Å; I198-F240 HydrophobicContact CD1-CD1 3.6Å; I198-F240 HydrophobicContact CD1-CD2 3.97Å; I198-F240 HydrophobicContact CD1-CE1 3.46Å; I198-F240 VanDerWaalsContact CD1-CE1 3.46Å; I198-F240 HydrophobicContact CD1-CE2 3.86Å; I198-F240 HydrophobicContact CD1-CG 3.85Å; I198-F240 HydrophobicContact CD1-CZ 3.6Å |
| 199 | L | 97.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 127.7 | 173.4 | -59.3 | 173.5 | 0 | 0 | 0 | 108.9 | L173 F180 I197 V201 V203 I210 H211 I213 | L173-L199 HydrophobicContact CD2-CD2 3.82Å; F180-L199 HydrophobicContact CB-CD2 4.3Å; I197-L199 HydrophobicContact CG2-CD2 4.24Å; L199-V201 WeakPolarHBondContact CB-O 3.43Å; L199-V201 PolarHBondContact O-N 3.35Å; L199-V203 HydrophobicContact CD1-CB 4.49Å; L199-V203 HydrophobicContact CD1-CG1 4.3Å; L199-V203 HydrophobicContact CD1-CG2 3.61Å; L199-I210 HydrophobicContact CD1-CD1 4.46Å; L199-I210 HydrophobicContact CD1-CG1 4.27Å; L199-H211 PolarHBondContact N-O 3.01Å; L199-H211 PolarHBondContact O-CE1 3.41Å; L199-H211 PolarHBondContact O-ND1 2.93Å; L199-I213 HydrophobicContact CD1-CD1 4.48Å; L199-I213 HydrophobicContact CD2-CD1 4.32Å |
| 200 | E | 95.6 | Very high | 94.9 | Very high | 108 Ų | 108 | 44.5 Ų | 44.5 | 51% | 0.505 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | -33.7 | 178.1 | -67.3 | -171.8 | 160.9 | 0 | 0 | 111.7 | S179 L181 | S179-E200 VanDerWaalsContact CB-OE2 3.27Å; S179-E200 WeakPolarHBondContact CB-OE2 3.46Å; S179-E200 PolarHBondContact O-N 2.93Å; S179-E200 PolarHBondContact OG-OE2 3.24Å; L181-E200 HydrophobicContact CG-CG 4.47Å |
| 201 | V | 95.2 | Very high | 95.2 | Very high | 73 Ų | 73 | 43.8 Ų | 43.8 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.5 | 172.1 | -177 | 0 | 0 | 0 | 0 | 108.3 | L199 L276 | L199-V201 WeakPolarHBondContact CB-O 3.43Å; L199-V201 PolarHBondContact O-N 3.35Å; V201-L276 HydrophobicContact CG1-CD1 4.33Å |
| 202 | P | 96.8 | Very high | 95.5 | Very high | 37 Ų | 37 | 39 Ų | 39 | 24% | 0.24 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55 | 148.1 | 174 | -24.4 | 32.2 | 0 | 0 | 0 | 112.6 | I209 I210 H211 L276 | P202-I209 HydrophobicContact CB-CG2 3.69Å; P202-I210 VanDerWaalsContact CA-O 3.28Å; P202-I210 WeakPolarHBondContact CA-O 3.42Å; P202-I210 WeakPolarHBondContact CB-O 3.47Å; P202-H211 HydrophobicContact CG-CB 4.31Å; P202-L276 HydrophobicContact CB-CD1 4.35Å; P202-L276 VanDerWaalsContact O-CD1 3.29Å; P202-L276 WeakPolarHBondContact O-CD1 3.39Å; P202-L276 WeakPolarHBondContact O-CG 3.32Å |
| 203 | V | 97 | Very high | 96.1 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.024 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 159.4 | 179 | -57.6 | 0 | 0 | 0 | 0 | 110.6 | L178 L199 V205 I209 I210 I273 T275 | L178-V203 HydrophobicContact CD2-CG1 3.88Å; L199-V203 HydrophobicContact CD1-CB 4.49Å; L199-V203 HydrophobicContact CD1-CG1 4.3Å; L199-V203 HydrophobicContact CD1-CG2 3.61Å; V203-V205 HydrophobicContact CG2-CG2 4.44Å; V203-I209 CarbonylContact O-C 3.56Å; V203-I209 WeakPolarHBondContact O-CA 3.44Å; V203-I210 HydrophobicContact CG2-CD1 3.97Å; V203-I210 HydrophobicContact CG2-CG1 3.64Å; V203-I210 PolarHBondContact N-O 3.35Å; V203-I210 PolarHBondContact O-N 3.05Å; V203-I273 HydrophobicContact CB-CG2 3.67Å; V203-I273 HydrophobicContact CG1-CG2 4.04Å; V203-I273 HydrophobicContact CG2-CG2 3.7Å; V203-T275 HydrophobicContact CG1-CG2 4.31Å |
| 204 | A | 97.1 | Very high | 96.5 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 12% | 0.124 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 136.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H208 I209 I274 | A204-H208 CarbonylContact C-O 3.52Å; A204-H208 VanDerWaalsContact CA-O 3.29Å; A204-H208 WeakPolarHBondContact CA-O 3.48Å; A204-I209 HydrophobicContact CB-CD1 3.97Å; A204-I274 HydrophobicContact CB-CB 4.25Å; A204-I274 PolarHBondContact N-O 3.45Å; A204-I274 PolarHBondContact O-N 2.79Å |
| 205 | V | 96.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 125.4 | 173 | 178.3 | 0 | 0 | 0 | 0 | 107.7 | V203 G207 H208 I210 L264 P270 I273 | V203-V205 HydrophobicContact CG2-CG2 4.44Å; V205-G207 PolarHBondContact O-N 2.69Å; V205-G207 VanDerWaalsContact O-N 3.1Å; V205-H208 PolarHBondContact N-O 3.41Å; V205-H208 PolarHBondContact O-N 2.91Å; V205-I210 HydrophobicContact CG2-CD1 3.7Å; V205-I210 HydrophobicContact CG2-CG1 4.22Å; V205-L264 HydrophobicContact CB-CD2 4.02Å; V205-L264 HydrophobicContact CG1-CD2 3.87Å; V205-P270 HydrophobicContact CG1-CB 3.57Å; V205-P270 HydrophobicContact CG1-CG 4.06Å; V205-P270 HydrophobicContact CG2-CB 4.15Å; V205-P270 HydrophobicContact CG2-CG 3.92Å; V205-I273 HydrophobicContact CG2-CG1 4.21Å |
| 206 | E | 93.4 | Very high | 96.8 | Very high | 69 Ų | 69 | 30.7 Ų | 30.7 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 37.7 | -175.5 | -60.4 | 177.1 | -175.4 | 0 | 0 | 112.8 | R2 H208 R259 K266 D272 | R2-E206 IonicContact NH2-OE1 3.24Å; E206-H208 VanDerWaalsContact C-N 3.27Å; E206-H208 PolarHBondContact O-N 3.37Å; E206-H208 PolarHBondContact O-ND1 2.99Å; E206-R259 IonicContact OE2-CZ 3.35Å; E206-R259 IonicContact OE2-NH1 2.68Å; E206-R259 PolarHBondContact OE2-NH1 3.44Å; E206-R259 IonicContact OE2-NH2 3.09Å; E206-R259 PolarHBondContact OE2-NH2 3.4Å; E206-R259 VanDerWaalsContact OE2-NH2 3.09Å; E206-K266 IonicContact OE1-NZ 3.55Å; E206-K266 PolarHBondContact OE1-NZ 2.64Å; E206-D272 WeakPolarHBondContact CG-OD2 3.25Å; E206-D272 PolarHBondContact N-OD2 2.88Å |
| 207 | G | 92.1 | Very high | 96.8 | Very high | 73 Ų | 73 | 31 Ų | 31 | 75% | 0.753 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 0.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116 | V205 | V205-G207 PolarHBondContact O-N 2.69Å; V205-G207 VanDerWaalsContact O-N 3.1Å |
| 208 | H | 94.9 | Very high | 96.7 | Very high | 58 Ų | 58 | 32.4 Ų | 32.4 | 27% | 0.269 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 129.3 | 179.4 | -62.2 | 71.3 | 0 | 0 | 0 | 110.4 | A204 V205 E206 | A204-H208 CarbonylContact C-O 3.52Å; A204-H208 VanDerWaalsContact CA-O 3.29Å; A204-H208 WeakPolarHBondContact CA-O 3.48Å; V205-H208 PolarHBondContact N-O 3.41Å; V205-H208 PolarHBondContact O-N 2.91Å; E206-H208 VanDerWaalsContact C-N 3.27Å; E206-H208 PolarHBondContact O-N 3.37Å; E206-H208 PolarHBondContact O-ND1 2.99Å |
| 209 | I | 96.2 | Very high | 96.7 | Very high | 81 Ų | 81 | 32 Ų | 32 | 42% | 0.415 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 136.1 | 172.4 | -58.6 | -63.6 | 0 | 0 | 0 | 109.2 | P202 V203 A204 P242 L276 | P202-I209 HydrophobicContact CB-CG2 3.69Å; V203-I209 CarbonylContact O-C 3.56Å; V203-I209 WeakPolarHBondContact O-CA 3.44Å; A204-I209 HydrophobicContact CB-CD1 3.97Å; I209-P242 WeakPolarHBondContact O-CB 3.48Å; I209-L276 HydrophobicContact CD1-CD2 4.31Å |
| 210 | I | 97.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.9 | 173.3 | 63.6 | 167.6 | 0 | 0 | 0 | 109.8 | L199 P202 V203 V205 I213 L244 L264 | L199-I210 HydrophobicContact CD1-CD1 4.46Å; L199-I210 HydrophobicContact CD1-CG1 4.27Å; P202-I210 VanDerWaalsContact CA-O 3.28Å; P202-I210 WeakPolarHBondContact CA-O 3.42Å; P202-I210 WeakPolarHBondContact CB-O 3.47Å; V203-I210 HydrophobicContact CG2-CD1 3.97Å; V203-I210 HydrophobicContact CG2-CG1 3.64Å; V203-I210 PolarHBondContact N-O 3.35Å; V203-I210 PolarHBondContact O-N 3.05Å; V205-I210 HydrophobicContact CG2-CD1 3.7Å; V205-I210 HydrophobicContact CG2-CG1 4.22Å; I210-I213 HydrophobicContact CD1-CG1 4.32Å; I210-L244 HydrophobicContact CB-CB 4.44Å; I210-L244 HydrophobicContact CD1-CB 3.7Å; I210-L244 HydrophobicContact CD1-CD2 3.8Å; I210-L244 HydrophobicContact CD1-CG 4.39Å; I210-L244 HydrophobicContact CG2-CB 4.17Å; I210-L264 HydrophobicContact CG2-CD2 4.47Å |
| 211 | H | 97.8 | Very high | 96.8 | Very high | 49 Ų | 49 | 27 Ų | 27 | 23% | 0.227 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -22.7 | 177.8 | -170.5 | 35.3 | 0 | 0 | 0 | 113 | L199 P202 F240 P242 | L199-H211 PolarHBondContact N-O 3.01Å; L199-H211 PolarHBondContact O-CE1 3.41Å; L199-H211 PolarHBondContact O-ND1 2.93Å; P202-H211 HydrophobicContact CG-CB 4.31Å; H211-F240 WeakPolarHBondContact CB-O 3.39Å; H211-F240 PolarHBondContact CD2-O 3.49Å; H211-P242 PolarHBondContact N-O 2.87Å |
| 212 | W | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 156 | 176.9 | 58.6 | -88.8 | 0 | 0 | 0 | 111.6 | P195 I197 I198 E214 F233 Y236 G241 G243 L244 V245 I263 | P195-W212 HydrophobicContact CB-CB 4.04Å; P195-W212 HydrophobicContact CB-CD2 4.32Å; P195-W212 HydrophobicContact CB-CE3 3.93Å; P195-W212 HydrophobicContact CB-CG 4.41Å; P195-W212 HydrophobicContact CG-CB 3.71Å; P195-W212 HydrophobicContact CG-CG 4.31Å; I197-W212 CarbonylContact O-C 3.59Å; I197-W212 VanDerWaalsContact O-CA 3.24Å; I197-W212 WeakPolarHBondContact O-CA 3.47Å; I197-W212 WeakPolarHBondContact O-CB 3.5Å; I198-W212 HydrophobicContact CG1-CB 4.26Å; W212-E214 HydrophobicContact CE3-CB 4.24Å; W212-E214 HydrophobicContact CZ3-CB 3.79Å; W212-F233 HydrophobicContact CH2-CB 4.09Å; W212-F233 HydrophobicContact CH2-CD1 4.3Å; W212-F233 HydrophobicContact CH2-CG 4.34Å; W212-Y236 HydrophobicContact CD2-CD2 4.39Å; W212-Y236 HydrophobicContact CE3-CD2 4.02Å; W212-Y236 AromaticContact CH2-CD2 4Å; W212-Y236 HydrophobicContact CH2-CD2 4Å; W212-Y236 HydrophobicContact CZ2-CD2 4.34Å; W212-Y236 AromaticContact CZ3-CD2 3.83Å; W212-Y236 HydrophobicContact CZ3-CD2 3.83Å; W212-G241 PolarHBondContact NE1-O 3.28Å; W212-G243 VanDerWaalsContact CE2-CA 3.48Å; W212-G243 VanDerWaalsContact O-CA 3.3Å; W212-G243 WeakPolarHBondContact O-CA 3.03Å; W212-L244 PolarHBondContact O-N 3.43Å; W212-V245 HydrophobicContact CH2-CG2 4.14Å; W212-V245 HydrophobicContact CZ3-CG2 4.08Å; W212-I263 HydrophobicContact CH2-CD1 3.94Å; W212-I263 HydrophobicContact CZ2-CD1 3.57Å |
| 213 | I | 98.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133.8 | 177 | -51.2 | 174.6 | 0 | 0 | 0 | 109.2 | L169 L173 I197 L199 I210 L244 I246 | L169-I213 HydrophobicContact CD1-CD1 4.35Å; L169-I213 HydrophobicContact CD1-CG2 4.09Å; L169-I213 HydrophobicContact CD2-CB 4.31Å; L169-I213 HydrophobicContact CD2-CG2 3.82Å; L173-I213 HydrophobicContact CD2-CD1 3.99Å; I197-I213 HydrophobicContact CB-CB 4.25Å; I197-I213 PolarHBondContact N-O 3.07Å; I197-I213 VanDerWaalsContact N-O 3.1Å; I197-I213 PolarHBondContact O-N 2.93Å; L199-I213 HydrophobicContact CD1-CD1 4.48Å; L199-I213 HydrophobicContact CD2-CD1 4.32Å; I210-I213 HydrophobicContact CD1-CG1 4.32Å; I213-L244 CarbonylContact C-O 3.5Å; I213-L244 VanDerWaalsContact CA-O 3.27Å; I213-L244 WeakPolarHBondContact CA-O 3.31Å; I213-L244 HydrophobicContact CG1-CB 4.35Å; I213-L244 HydrophobicContact CG1-CD2 4.41Å; I213-L244 HydrophobicContact CG2-CD2 4.29Å; I213-L244 HydrophobicContact CG2-CG 4.34Å; I213-I246 HydrophobicContact CG2-CD1 3.79Å; I213-I246 HydrophobicContact CG2-CG1 4.09Å |
| 214 | E | 98.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 29.4 Ų | 29.4 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128.6 | 172.4 | -178.6 | 78.4 | -157 | 0 | 0 | 110.4 | W212 K216 F233 Y236 L244 V245 I246 | W212-E214 HydrophobicContact CE3-CB 4.24Å; W212-E214 HydrophobicContact CZ3-CB 3.79Å; E214-K216 HydrophobicContact CG-CD 4.18Å; E214-K216 HydrophobicContact CG-CG 4.31Å; E214-K216 WeakPolarHBondContact OE1-CE 3.1Å; E214-K216 IonicContact OE1-NZ 2.82Å; E214-K216 PolarHBondContact OE1-NZ 2.95Å; E214-F233 HydrophobicContact CB-CE1 4.46Å; E214-F233 HydrophobicContact CG-CE1 3.89Å; E214-Y236 WeakPolarHBondContact OE2-CE2 3.48Å; E214-L244 PolarHBondContact N-O 3.32Å; E214-V245 HydrophobicContact CB-CG1 4.44Å; E214-V245 HydrophobicContact CB-CG2 4.27Å; E214-V245 CarbonylContact O-C 3.53Å; E214-V245 WeakPolarHBondContact O-CA 3.31Å; E214-I246 PolarHBondContact O-N 3.44Å |
| 215 | S | 98.2 | Very high | 96.8 | Very high | 9 Ų | 9 | 29 Ų | 29 | 6% | 0.063 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 113.2 | -178.5 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | D196 W248 | D196-S215 WeakPolarHBondContact OD2-CA 3.39Å; D196-S215 VanDerWaalsContact OD2-CB 3.23Å; D196-S215 WeakPolarHBondContact OD2-CB 3.41Å; D196-S215 PolarHBondContact OD2-N 3.35Å; S215-W248 PolarHBondContact OG-NE1 3.49Å |
| 216 | K | 97.9 | Very high | 96.9 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 10% | 0.104 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 103.1 | 175.9 | -62.3 | -56 | -169.9 | -159 | 0 | 110.3 | E214 S218 V245 I246 Y247 W248 | E214-K216 HydrophobicContact CG-CD 4.18Å; E214-K216 HydrophobicContact CG-CG 4.31Å; E214-K216 WeakPolarHBondContact OE1-CE 3.1Å; E214-K216 IonicContact OE1-NZ 2.82Å; E214-K216 PolarHBondContact OE1-NZ 2.95Å; K216-S218 PolarHBondContact O-N 3.47Å; K216-V245 HydrophobicContact CG-CG1 4.05Å; K216-I246 PolarHBondContact N-O 3.24Å; K216-Y247 HydrophobicContact CB-CD1 3.69Å; K216-Y247 HydrophobicContact CB-CE1 3.87Å; K216-Y247 HydrophobicContact CB-CG 4.46Å; K216-Y247 HydrophobicContact CG-CD1 4.34Å; K216-Y247 HydrophobicContact CG-CE1 4.05Å; K216-Y247 WeakPolarHBondContact O-CA 3.42Å; K216-W248 PolarHBondContact O-N 3.1Å |
| 217 | A | 97.1 | Very high | 97.1 | Very high | 24 Ų | 24 | 34.8 Ų | 34.8 | 20% | 0.198 | 19% | 0.192 | C | C | . | . | trans | -77.4 | 51.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V161 H165 Y249 | V161-A217 HydrophobicContact CG1-CB 3.81Å; H165-A217 HydrophobicContact CB-CB 4.1Å; A217-Y249 HydrophobicContact CB-CE2 4.43Å; A217-Y249 WeakPolarHBondContact O-CD2 3.15Å; A217-Y249 WeakPolarHBondContact O-CE2 3.42Å | ||
| 218 | S | 96.6 | Very high | 97.4 | Very high | 31 Ų | 31 | 34 Ų | 34 | 22% | 0.217 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -153.6 | 166 | -176.3 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | S42 K216 | S42-S218 WeakPolarHBondContact OG-CA 3.49Å; K216-S218 PolarHBondContact O-N 3.47Å |
| 219 | F | 97.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.013 | 16% | 0.158 | C | C | . | . | trans | -81.1 | 127.8 | 173.5 | -170.6 | -90.9 | 0 | 0 | 0 | 111 | L3 Y8 T39 S42 I43 D221 Y249 G250 I252 | L3-F219 HydrophobicContact CB-CZ 4.36Å; L3-F219 HydrophobicContact CD1-CE2 4.08Å; L3-F219 HydrophobicContact CD2-CE2 4.16Å; L3-F219 HydrophobicContact CD2-CZ 4.12Å; Y8-F219 HydrophobicContact CD2-CD1 4.28Å; Y8-F219 AromaticContact CD2-CE1 3.47Å; Y8-F219 HydrophobicContact CD2-CE1 3.47Å; Y8-F219 VanDerWaalsContact CD2-CE1 3.47Å; Y8-F219 HydrophobicContact CD2-CZ 4.01Å; Y8-F219 HydrophobicContact CE2-CD1 4.23Å; Y8-F219 AromaticContact CE2-CE1 3.81Å; Y8-F219 HydrophobicContact CE2-CE1 3.81Å; Y8-F219 HydrophobicContact CG-CE1 4.24Å; T39-F219 HydrophobicContact CG2-CD2 4.01Å; T39-F219 HydrophobicContact CG2-CE2 4.05Å; S42-F219 PolarHBondContact OG-N 3.19Å; I43-F219 HydrophobicContact CD1-CD2 3.94Å; I43-F219 HydrophobicContact CD1-CE1 4.38Å; I43-F219 HydrophobicContact CD1-CE2 3.79Å; I43-F219 HydrophobicContact CD1-CG 4.32Å; I43-F219 HydrophobicContact CD1-CZ 4.03Å; I43-F219 HydrophobicContact CG1-CB 4.11Å; I43-F219 HydrophobicContact CG1-CD1 3.77Å; I43-F219 HydrophobicContact CG1-CD2 3.63Å; I43-F219 HydrophobicContact CG1-CE1 4.07Å; I43-F219 HydrophobicContact CG1-CE2 3.96Å; I43-F219 HydrophobicContact CG1-CG 3.54Å; I43-F219 HydrophobicContact CG1-CZ 4.17Å; F219-D221 PolarHBondContact O-N 3.23Å; F219-Y249 WeakPolarHBondContact CD2-O 3.32Å; F219-G250 CarbonylContact C-O 3.46Å; F219-G250 VanDerWaalsContact CA-O 3.24Å; F219-G250 WeakPolarHBondContact CA-O 3.32Å; F219-G250 VanDerWaalsContact CD2-C 3.5Å; F219-G250 WeakPolarHBondContact CD2-O 3.39Å; F219-I252 HydrophobicContact CE1-CG1 3.96Å; F219-I252 HydrophobicContact CZ-CG1 4.27Å | ||
| 220 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -83.1 | 106 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G250 F251 I252 L255 | G220-G250 PolarHBondContact N-O 2.92Å; G220-F251 WeakPolarHBondContact O-CA 3.42Å; G220-I252 PolarHBondContact O-N 3.34Å; G220-L255 WeakPolarHBondContact O-CD1 3.45Å |
| 221 | D | 97.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | trans | -106.4 | 172.3 | 171 | 86 | -54.5 | 0 | 0 | 0 | 112.3 | Y8 L46 K50 F219 H223 S224 H225 I252 | Y8-D221 HydrophobicContact CE1-CB 4.44Å; Y8-D221 HydrophobicContact CE2-CB 4.33Å; L46-D221 HydrophobicContact CD2-CB 3.66Å; K50-D221 VanDerWaalsContact CE-OD2 3.23Å; K50-D221 WeakPolarHBondContact CE-OD2 3.43Å; K50-D221 IonicContact NZ-OD2 2.64Å; K50-D221 PolarHBondContact NZ-OD2 2.66Å; F219-D221 PolarHBondContact O-N 3.23Å; D221-H223 VanDerWaalsContact C-N 3.28Å; D221-H223 PolarHBondContact O-N 3.27Å; D221-H223 WeakPolarHBondContact OD2-CB 3.26Å; D221-H223 PolarHBondContact OD2-N 2.89Å; D221-H223 VanDerWaalsContact OD2-N 3.12Å; D221-S224 PolarHBondContact N-OG 2.83Å; D221-S224 PolarHBondContact O-N 3.35Å; D221-S224 PolarHBondContact O-OG 3.45Å; D221-S224 WeakPolarHBondContact OD1-CB 3.4Å; D221-S224 PolarHBondContact OD1-N 3.03Å; D221-S224 PolarHBondContact OD1-OG 3.09Å; D221-H225 WeakPolarHBondContact O-CB 3.23Å; D221-H225 PolarHBondContact O-N 3.49Å; D221-I252 HydrophobicContact CB-CD1 4.15Å | ||
| 222 | D | 97.2 | Very high | 97.4 | Very high | 57 Ų | 57 | 38.5 Ų | 38.5 | 31% | 0.305 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -53.3 | -41.8 | 178.1 | -71 | -75.6 | 0 | 0 | 0 | 114.3 | R5 R226 | R5-D222 IonicContact CZ-OD1 3.16Å; R5-D222 IonicContact CZ-OD2 3.44Å; R5-D222 IonicContact NH1-OD1 2.62Å; R5-D222 PolarHBondContact NH1-OD1 3.19Å; R5-D222 IonicContact NH1-OD2 2.65Å; R5-D222 PolarHBondContact NH1-OD2 3.5Å; R5-D222 IonicContact NH2-OD1 2.84Å; R5-D222 PolarHBondContact NH2-OD1 3.47Å; R5-D222 IonicContact NH2-OD2 3.77Å; D222-R226 WeakPolarHBondContact O-CB 3.46Å; D222-R226 PolarHBondContact O-N 3.19Å |
| 223 | H | 95.7 | Very high | 97.4 | Very high | 95 Ų | 95 | 38.5 Ų | 38.5 | 44% | 0.44 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -71.8 | -53.4 | -175.9 | -177.8 | 75.8 | 0 | 0 | 0 | 111.2 | D221 T227 | D221-H223 VanDerWaalsContact C-N 3.28Å; D221-H223 PolarHBondContact O-N 3.27Å; D221-H223 WeakPolarHBondContact OD2-CB 3.26Å; D221-H223 PolarHBondContact OD2-N 2.89Å; D221-H223 VanDerWaalsContact OD2-N 3.12Å; H223-T227 PolarHBondContact O-N 3.24Å; H223-T227 VanDerWaalsContact O-N 3.13Å; H223-T227 PolarHBondContact O-OG1 3.13Å |
| 224 | S | 95.9 | Very high | 97.3 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -45.9 | -179.1 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | D221 R226 T227 Y228 | D221-S224 PolarHBondContact N-OG 2.83Å; D221-S224 PolarHBondContact O-N 3.35Å; D221-S224 PolarHBondContact O-OG 3.45Å; D221-S224 WeakPolarHBondContact OD1-CB 3.4Å; D221-S224 PolarHBondContact OD1-N 3.03Å; D221-S224 PolarHBondContact OD1-OG 3.09Å; S224-R226 PolarHBondContact O-N 3.41Å; S224-T227 WeakPolarHBondContact O-CB 3.46Å; S224-T227 PolarHBondContact O-N 3.06Å; S224-T227 VanDerWaalsContact O-N 3.15Å; S224-Y228 WeakPolarHBondContact O-CD2 3.3Å; S224-Y228 PolarHBondContact O-N 2.97Å |
| 225 | H | 97.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | -179.3 | -174.4 | 65.2 | 0 | 0 | 0 | 112.1 | D221 T227 Y228 L229 F233 Y247 L255 | D221-H225 WeakPolarHBondContact O-CB 3.23Å; D221-H225 PolarHBondContact O-N 3.49Å; H225-T227 VanDerWaalsContact C-N 3.33Å; H225-T227 PolarHBondContact O-N 3.44Å; H225-Y228 PolarHBondContact O-N 2.82Å; H225-L229 WeakPolarHBondContact NE2-CD1 3.47Å; H225-L229 WeakPolarHBondContact O-CB 3.29Å; H225-L229 WeakPolarHBondContact O-CG 3.42Å; H225-L229 PolarHBondContact O-N 2.99Å; H225-F233 AromaticContact CE1-CE2 3.95Å; H225-F233 AromaticContact ND1-CE2 3.94Å; H225-Y247 AromaticContact ND1-CE2 3.8Å; H225-Y247 AromaticContact ND1-CZ 3.78Å; H225-Y247 PolarHBondContact ND1-OH 3.47Å; H225-L255 HydrophobicContact CB-CD1 3.89Å; H225-L255 HydrophobicContact CB-CD2 4.29Å |
| 226 | R | 97.5 | Very high | 97.2 | Very high | 151 Ų | 151 | 41.8 Ų | 41.8 | 57% | 0.57 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -62.3 | -40 | 175.5 | -176.5 | 175.8 | 64.4 | -170.7 | 0.9 | 112.4 | D222 S224 N230 | D222-R226 WeakPolarHBondContact O-CB 3.46Å; D222-R226 PolarHBondContact O-N 3.19Å; S224-R226 PolarHBondContact O-N 3.41Å; R226-N230 PolarHBondContact O-N 2.96Å; R226-N230 PolarHBondContact O-ND2 3.25Å |
| 227 | T | 97.3 | Very high | 97.2 | Very high | 41 Ų | 41 | 45.1 Ų | 45.1 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.2 | -48.3 | 175.1 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | H223 S224 H225 L229 N230 E231 | H223-T227 PolarHBondContact O-N 3.24Å; H223-T227 VanDerWaalsContact O-N 3.13Å; H223-T227 PolarHBondContact O-OG1 3.13Å; S224-T227 WeakPolarHBondContact O-CB 3.46Å; S224-T227 PolarHBondContact O-N 3.06Å; S224-T227 VanDerWaalsContact O-N 3.15Å; H225-T227 VanDerWaalsContact C-N 3.33Å; H225-T227 PolarHBondContact O-N 3.44Å; T227-L229 PolarHBondContact O-N 3.48Å; T227-N230 PolarHBondContact O-N 3.41Å; T227-E231 VanDerWaalsContact CG2-CD 3.44Å; T227-E231 HydrophobicContact CG2-CG 4.23Å; T227-E231 WeakPolarHBondContact CG2-OE1 3.33Å; T227-E231 WeakPolarHBondContact CG2-OE2 3.25Å; T227-E231 WeakPolarHBondContact O-CB 3.26Å; T227-E231 WeakPolarHBondContact O-CG 3.39Å; T227-E231 PolarHBondContact O-N 3.3Å |
| 228 | Y | 97.8 | Very high | 97.1 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 178 | -61.6 | -48.7 | 0 | 0 | 0 | 113.3 | S224 H225 N230 Q232 F233 | S224-Y228 WeakPolarHBondContact O-CD2 3.3Å; S224-Y228 PolarHBondContact O-N 2.97Å; H225-Y228 PolarHBondContact O-N 2.82Å; Y228-N230 VanDerWaalsContact C-N 3.32Å; Y228-N230 PolarHBondContact O-N 2.95Å; Y228-Q232 CarbonylContact O-C 3.59Å; Y228-Q232 WeakPolarHBondContact O-CA 3.39Å; Y228-Q232 WeakPolarHBondContact O-CB 3.41Å; Y228-Q232 PolarHBondContact O-N 2.95Å; Y228-F233 VanDerWaalsContact CB-CE2 3.5Å; Y228-F233 HydrophobicContact CD2-CZ 4.31Å; Y228-F233 HydrophobicContact CG-CE2 4.5Å; Y228-F233 HydrophobicContact CG-CZ 4.01Å; Y228-F233 PolarHBondContact O-N 3.3Å |
| 229 | L | 97.5 | Very high | 97 | Very high | 19 Ų | 19 | 53 Ų | 53 | 10% | 0.099 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -54.2 | -50.5 | 173.5 | -81.3 | 170.2 | 0 | 0 | 0 | 111.2 | H225 T227 F233 W234 I263 | H225-L229 WeakPolarHBondContact NE2-CD1 3.47Å; H225-L229 WeakPolarHBondContact O-CB 3.29Å; H225-L229 WeakPolarHBondContact O-CG 3.42Å; H225-L229 PolarHBondContact O-N 2.99Å; T227-L229 PolarHBondContact O-N 3.48Å; L229-F233 HydrophobicContact CD2-CB 4.22Å; L229-F233 HydrophobicContact CD2-CD2 3.87Å; L229-F233 HydrophobicContact CG-CD2 4.07Å; L229-W234 HydrophobicContact CD2-CZ2 3.86Å; L229-W234 WeakPolarHBondContact O-CB 3.44Å; L229-W234 PolarHBondContact O-N 3.43Å; L229-I263 HydrophobicContact CD2-CG1 4.44Å; L229-I263 HydrophobicContact CD2-CG2 4.44Å |
| 230 | N | 96.9 | Very high | 96.9 | Very high | 114 Ų | 114 | 54.2 Ų | 54.2 | 61% | 0.61 | 25% | 0.251 | S | S | * | . | I | π-helix | trans | -74 | -37.1 | -175.5 | -67.7 | -25.7 | 0 | 0 | 0 | 113.5 | R226 T227 Y228 | R226-N230 PolarHBondContact O-N 2.96Å; R226-N230 PolarHBondContact O-ND2 3.25Å; T227-N230 PolarHBondContact O-N 3.41Å; Y228-N230 VanDerWaalsContact C-N 3.32Å; Y228-N230 PolarHBondContact O-N 2.95Å |
| 231 | E | 96.3 | Very high | 96.8 | Very high | 114 Ų | 114 | 55.2 Ų | 55.2 | 53% | 0.533 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -93 | -21.6 | -172.5 | -65.7 | -178.6 | 177.9 | 0 | 0 | 113.8 | T227 | T227-E231 VanDerWaalsContact CG2-CD 3.44Å; T227-E231 HydrophobicContact CG2-CG 4.23Å; T227-E231 WeakPolarHBondContact CG2-OE1 3.33Å; T227-E231 WeakPolarHBondContact CG2-OE2 3.25Å; T227-E231 WeakPolarHBondContact O-CB 3.26Å; T227-E231 WeakPolarHBondContact O-CG 3.39Å; T227-E231 PolarHBondContact O-N 3.3Å |
| 232 | Q | 96.4 | Very high | 96.8 | Very high | 39 Ų | 39 | 57.5 Ų | 57.5 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -133.8 | -68.1 | -170.7 | -64.4 | 173.2 | 33.3 | 0 | 0 | 111.7 | Y228 W234 S235 Y236 | Y228-Q232 CarbonylContact O-C 3.59Å; Y228-Q232 WeakPolarHBondContact O-CA 3.39Å; Y228-Q232 WeakPolarHBondContact O-CB 3.41Å; Y228-Q232 PolarHBondContact O-N 2.95Å; Q232-W234 PolarHBondContact O-N 3.13Å; Q232-S235 WeakPolarHBondContact O-CA 3.5Å; Q232-S235 VanDerWaalsContact O-CB 3.28Å; Q232-S235 WeakPolarHBondContact O-CB 3.42Å; Q232-S235 PolarHBondContact O-N 3.16Å; Q232-Y236 HydrophobicContact CB-CE2 3.81Å; Q232-Y236 PolarHBondContact O-N 3.46Å |
| 233 | F | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -65.1 | -39.9 | -161.3 | -51.7 | -21.6 | 0 | 0 | 0 | 113.2 | W212 E214 H225 Y228 L229 S235 Y236 W237 V245 I263 | W212-F233 HydrophobicContact CH2-CB 4.09Å; W212-F233 HydrophobicContact CH2-CD1 4.3Å; W212-F233 HydrophobicContact CH2-CG 4.34Å; E214-F233 HydrophobicContact CB-CE1 4.46Å; E214-F233 HydrophobicContact CG-CE1 3.89Å; H225-F233 AromaticContact CE1-CE2 3.95Å; H225-F233 AromaticContact ND1-CE2 3.94Å; Y228-F233 VanDerWaalsContact CB-CE2 3.5Å; Y228-F233 HydrophobicContact CD2-CZ 4.31Å; Y228-F233 HydrophobicContact CG-CE2 4.5Å; Y228-F233 HydrophobicContact CG-CZ 4.01Å; Y228-F233 PolarHBondContact O-N 3.3Å; L229-F233 HydrophobicContact CD2-CB 4.22Å; L229-F233 HydrophobicContact CD2-CD2 3.87Å; L229-F233 HydrophobicContact CG-CD2 4.07Å; F233-S235 VanDerWaalsContact C-N 3.28Å; F233-S235 PolarHBondContact O-N 3.01Å; F233-Y236 HydrophobicContact CD1-CD2 4.3Å; F233-Y236 HydrophobicContact CD1-CE2 4.22Å; F233-Y236 PolarHBondContact O-N 3.44Å; F233-W237 WeakPolarHBondContact O-CB 3.5Å; F233-W237 PolarHBondContact O-N 2.98Å; F233-V245 HydrophobicContact CD1-CG2 4.2Å; F233-V245 HydrophobicContact CD2-CG2 3.97Å; F233-V245 HydrophobicContact CE1-CG1 4.42Å; F233-V245 HydrophobicContact CE1-CG2 3.99Å; F233-V245 HydrophobicContact CE2-CB 4.47Å; F233-V245 HydrophobicContact CE2-CG1 4.15Å; F233-V245 HydrophobicContact CE2-CG2 3.7Å; F233-V245 HydrophobicContact CG-CG2 4.22Å; F233-V245 HydrophobicContact CZ-CB 4.35Å; F233-V245 HydrophobicContact CZ-CG1 3.71Å; F233-V245 HydrophobicContact CZ-CG2 3.7Å; F233-I263 HydrophobicContact CB-CD1 4.15Å |
| 234 | W | 97.4 | Very high | 97 | Very high | 42 Ų | 42 | 50.2 Ų | 50.2 | 16% | 0.159 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.1 | -30.3 | 175.3 | -67.6 | 133.5 | 0 | 0 | 0 | 112.8 | L229 Q232 W237 N238 Q258 R261 I263 | L229-W234 HydrophobicContact CD2-CZ2 3.86Å; L229-W234 WeakPolarHBondContact O-CB 3.44Å; L229-W234 PolarHBondContact O-N 3.43Å; Q232-W234 PolarHBondContact O-N 3.13Å; W234-W237 HydrophobicContact CE3-CB 4.15Å; W234-W237 HydrophobicContact CE3-CD2 4.44Å; W234-W237 HydrophobicContact CE3-CG 4.27Å; W234-W237 HydrophobicContact CZ3-CG 4.37Å; W234-N238 WeakPolarHBondContact O-CB 3.48Å; W234-N238 PolarHBondContact O-N 3.03Å; W234-N238 PolarHBondContact O-ND2 3.41Å; W234-Q258 HydrophobicContact CH2-CB 4.35Å; W234-Q258 HydrophobicContact CH2-CG 4.48Å; W234-Q258 HydrophobicContact CZ2-CG 4.37Å; W234-R261 HydrophobicContact CH2-CB 3.94Å; W234-R261 HydrophobicContact CZ3-CB 4.35Å; W234-I263 HydrophobicContact CE3-CG1 4.25Å; W234-I263 HydrophobicContact CH2-CG1 3.85Å; W234-I263 HydrophobicContact CZ3-CD1 4.27Å; W234-I263 HydrophobicContact CZ3-CG1 3.63Å |
| 235 | S | 96.7 | Very high | 97.1 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 22% | 0.217 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.9 | -39.6 | 173.1 | -173.4 | 0 | 0 | 0 | 0 | 111.4 | Q232 F233 R239 | Q232-S235 WeakPolarHBondContact O-CA 3.5Å; Q232-S235 VanDerWaalsContact O-CB 3.28Å; Q232-S235 WeakPolarHBondContact O-CB 3.42Å; Q232-S235 PolarHBondContact O-N 3.16Å; F233-S235 VanDerWaalsContact C-N 3.28Å; F233-S235 PolarHBondContact O-N 3.01Å; S235-R239 WeakPolarHBondContact O-CD 3.4Å; S235-R239 VanDerWaalsContact O-CG 3.23Å; S235-R239 WeakPolarHBondContact O-CG 3.48Å; S235-R239 PolarHBondContact O-N 3.17Å |
| 236 | Y | 97.5 | Very high | 97.1 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.7 | -44.8 | 175.6 | -52.3 | -25.2 | 0 | 0 | 0 | 110.3 | K193 T194 P195 W212 E214 Q232 F233 N238 R239 F240 | K193-Y236 HydrophobicContact CB-CE1 4.14Å; T194-Y236 PolarHBondContact O-OH 2.92Å; T194-Y236 VanDerWaalsContact O-OH 3.1Å; P195-Y236 HydrophobicContact CB-CD2 3.99Å; P195-Y236 HydrophobicContact CB-CE2 4.11Å; P195-Y236 HydrophobicContact CB-CG 4.31Å; W212-Y236 HydrophobicContact CD2-CD2 4.39Å; W212-Y236 HydrophobicContact CE3-CD2 4.02Å; W212-Y236 AromaticContact CH2-CD2 4Å; W212-Y236 HydrophobicContact CH2-CD2 4Å; W212-Y236 HydrophobicContact CZ2-CD2 4.34Å; W212-Y236 AromaticContact CZ3-CD2 3.83Å; W212-Y236 HydrophobicContact CZ3-CD2 3.83Å; E214-Y236 WeakPolarHBondContact OE2-CE2 3.48Å; Q232-Y236 HydrophobicContact CB-CE2 3.81Å; Q232-Y236 PolarHBondContact O-N 3.46Å; F233-Y236 HydrophobicContact CD1-CD2 4.3Å; F233-Y236 HydrophobicContact CD1-CE2 4.22Å; F233-Y236 PolarHBondContact O-N 3.44Å; Y236-N238 PolarHBondContact O-N 3.38Å; Y236-R239 PolarHBondContact O-N 2.88Å; Y236-R239 VanDerWaalsContact O-N 3.09Å; Y236-F240 WeakPolarHBondContact O-CB 3.48Å; Y236-F240 WeakPolarHBondContact O-CD2 3.24Å; Y236-F240 PolarHBondContact O-N 2.74Å |
| 237 | W | 97.3 | Very high | 97.2 | Very high | 94 Ų | 94 | 42.1 Ų | 42.1 | 36% | 0.356 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 178 | -176.1 | 89.2 | 0 | 0 | 0 | 113.2 | F233 W234 R239 G241 R261 I263 | F233-W237 WeakPolarHBondContact O-CB 3.5Å; F233-W237 PolarHBondContact O-N 2.98Å; W234-W237 HydrophobicContact CE3-CB 4.15Å; W234-W237 HydrophobicContact CE3-CD2 4.44Å; W234-W237 HydrophobicContact CE3-CG 4.27Å; W234-W237 HydrophobicContact CZ3-CG 4.37Å; W237-R239 PolarHBondContact O-N 3.26Å; W237-G241 VanDerWaalsContact CA-O 3.3Å; W237-G241 WeakPolarHBondContact CA-O 3.49Å; W237-G241 WeakPolarHBondContact O-CA 3.43Å; W237-G241 PolarHBondContact O-N 3.12Å; W237-R261 PolarHBondContact NE1-O 2.66Å; W237-I263 HydrophobicContact CB-CD1 4.13Å |
| 238 | N | 95.5 | Very high | 97.2 | Very high | 119 Ų | 119 | 42 Ų | 42 | 64% | 0.636 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -63.3 | -24 | 177.6 | -74.9 | -34.2 | 0 | 0 | 0 | 113.4 | W234 Y236 | W234-N238 WeakPolarHBondContact O-CB 3.48Å; W234-N238 PolarHBondContact O-N 3.03Å; W234-N238 PolarHBondContact O-ND2 3.41Å; Y236-N238 PolarHBondContact O-N 3.38Å |
| 239 | R | 94.3 | Very high | 97.2 | Very high | 103 Ų | 103 | 41.2 Ų | 41.2 | 39% | 0.389 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -98.5 | -40.8 | -175.7 | -69.6 | 171.6 | -179.3 | -146.4 | -4 | 113.1 | D192 K193 S235 Y236 W237 | D192-R239 VanDerWaalsContact CG-NH2 3.3Å; D192-R239 IonicContact OD1-CZ 2.75Å; D192-R239 IonicContact OD1-NH1 2.69Å; D192-R239 PolarHBondContact OD1-NH1 3.42Å; D192-R239 IonicContact OD1-NH2 2.97Å; D192-R239 PolarHBondContact OD1-NH2 2.82Å; D192-R239 IonicContact OD2-CZ 3.79Å; D192-R239 IonicContact OD2-NH1 3.85Å; D192-R239 IonicContact OD2-NH2 3.14Å; D192-R239 PolarHBondContact OD2-NH2 3.03Å; K193-R239 PolarHBondContact O-NH1 3.19Å; S235-R239 WeakPolarHBondContact O-CD 3.4Å; S235-R239 VanDerWaalsContact O-CG 3.23Å; S235-R239 WeakPolarHBondContact O-CG 3.48Å; S235-R239 PolarHBondContact O-N 3.17Å; Y236-R239 PolarHBondContact O-N 2.88Å; Y236-R239 VanDerWaalsContact O-N 3.09Å; W237-R239 PolarHBondContact O-N 3.26Å |
| 240 | F | 95.4 | Very high | 97.2 | Very high | 27 Ų | 27 | 40.3 Ų | 40.3 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -121.5 | -1.4 | -167.8 | -50.2 | -61 | 0 | 0 | 0 | 112 | Y191 I198 H211 Y236 | Y191-F240 HydrophobicContact CD1-CE1 4.24Å; Y191-F240 AromaticContact CD1-CZ 3.88Å; Y191-F240 HydrophobicContact CD1-CZ 3.88Å; Y191-F240 AromaticContact CE1-CE1 3.81Å; Y191-F240 HydrophobicContact CE1-CE1 3.81Å; Y191-F240 AromaticContact CE1-CZ 3.95Å; Y191-F240 HydrophobicContact CE1-CZ 3.95Å; Y191-F240 HydrophobicContact CG-CZ 4.5Å; I198-F240 HydrophobicContact CD1-CD1 3.6Å; I198-F240 HydrophobicContact CD1-CD2 3.97Å; I198-F240 HydrophobicContact CD1-CE1 3.46Å; I198-F240 VanDerWaalsContact CD1-CE1 3.46Å; I198-F240 HydrophobicContact CD1-CE2 3.86Å; I198-F240 HydrophobicContact CD1-CG 3.85Å; I198-F240 HydrophobicContact CD1-CZ 3.6Å; H211-F240 WeakPolarHBondContact CB-O 3.39Å; H211-F240 PolarHBondContact CD2-O 3.49Å; Y236-F240 WeakPolarHBondContact O-CB 3.48Å; Y236-F240 WeakPolarHBondContact O-CD2 3.24Å; Y236-F240 PolarHBondContact O-N 2.74Å |
| 241 | G | 96.4 | Very high | 97.3 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 22% | 0.216 | 17% | 0.166 | C | C | . | . | trans | 74.8 | -156.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | W212 W237 | W212-G241 PolarHBondContact NE1-O 3.28Å; W237-G241 VanDerWaalsContact CA-O 3.3Å; W237-G241 WeakPolarHBondContact CA-O 3.49Å; W237-G241 WeakPolarHBondContact O-CA 3.43Å; W237-G241 PolarHBondContact O-N 3.12Å | ||
| 242 | P | 98 | Very high | 97.4 | Very high | 51 Ų | 51 | 29.4 Ų | 29.4 | 33% | 0.331 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -56.1 | 149.4 | -174.8 | -28.9 | 37.7 | 0 | 0 | 0 | 114.9 | I209 H211 G262 | I209-P242 WeakPolarHBondContact O-CB 3.48Å; H211-P242 PolarHBondContact N-O 2.87Å; P242-G262 CarbonylContact C-O 3.26Å; P242-G262 WeakPolarHBondContact CA-O 3.5Å |
| 243 | G | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | W212 G262 L264 | W212-G243 VanDerWaalsContact CE2-CA 3.48Å; W212-G243 VanDerWaalsContact O-CA 3.3Å; W212-G243 WeakPolarHBondContact O-CA 3.03Å; G243-G262 PolarHBondContact N-O 3.49Å; G243-L264 PolarHBondContact O-N 2.83Å |
| 244 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.5 | -173.5 | 171.2 | 64.2 | 0 | 0 | 0 | 110.4 | I210 W212 I213 E214 I246 L264 K266 P270 | I210-L244 HydrophobicContact CB-CB 4.44Å; I210-L244 HydrophobicContact CD1-CB 3.7Å; I210-L244 HydrophobicContact CD1-CD2 3.8Å; I210-L244 HydrophobicContact CD1-CG 4.39Å; I210-L244 HydrophobicContact CG2-CB 4.17Å; W212-L244 PolarHBondContact O-N 3.43Å; I213-L244 CarbonylContact C-O 3.5Å; I213-L244 VanDerWaalsContact CA-O 3.27Å; I213-L244 WeakPolarHBondContact CA-O 3.31Å; I213-L244 HydrophobicContact CG1-CB 4.35Å; I213-L244 HydrophobicContact CG1-CD2 4.41Å; I213-L244 HydrophobicContact CG2-CD2 4.29Å; I213-L244 HydrophobicContact CG2-CG 4.34Å; E214-L244 PolarHBondContact N-O 3.32Å; L244-I246 HydrophobicContact CD2-CD1 4.19Å; L244-I246 HydrophobicContact CD2-CG1 4.06Å; L244-I246 HydrophobicContact CG-CG1 4.04Å; L244-L264 CarbonylContact C-O 3.42Å; L244-L264 WeakPolarHBondContact CA-O 3.49Å; L244-L264 HydrophobicContact CD1-CB 4.15Å; L244-L264 HydrophobicContact CD1-CD2 4.01Å; L244-L264 HydrophobicContact CD1-CG 3.84Å; L244-L264 WeakPolarHBondContact CD1-O 3.4Å; L244-K266 HydrophobicContact CD1-CB 3.89Å; L244-K266 HydrophobicContact CD1-CG 3.47Å; L244-K266 VanDerWaalsContact CD1-CG 3.47Å; L244-P270 HydrophobicContact CD2-CG 3.97Å |
| 245 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127 | 169.3 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | W212 E214 K216 F233 Y247 I263 L264 L265 K266 | W212-V245 HydrophobicContact CH2-CG2 4.14Å; W212-V245 HydrophobicContact CZ3-CG2 4.08Å; E214-V245 HydrophobicContact CB-CG1 4.44Å; E214-V245 HydrophobicContact CB-CG2 4.27Å; E214-V245 CarbonylContact O-C 3.53Å; E214-V245 WeakPolarHBondContact O-CA 3.31Å; K216-V245 HydrophobicContact CG-CG1 4.05Å; F233-V245 HydrophobicContact CD1-CG2 4.2Å; F233-V245 HydrophobicContact CD2-CG2 3.97Å; F233-V245 HydrophobicContact CE1-CG1 4.42Å; F233-V245 HydrophobicContact CE1-CG2 3.99Å; F233-V245 HydrophobicContact CE2-CB 4.47Å; F233-V245 HydrophobicContact CE2-CG1 4.15Å; F233-V245 HydrophobicContact CE2-CG2 3.7Å; F233-V245 HydrophobicContact CG-CG2 4.22Å; F233-V245 HydrophobicContact CZ-CB 4.35Å; F233-V245 HydrophobicContact CZ-CG1 3.71Å; F233-V245 HydrophobicContact CZ-CG2 3.7Å; V245-Y247 HydrophobicContact CG1-CD2 4.16Å; V245-Y247 HydrophobicContact CG1-CE2 3.79Å; V245-I263 HydrophobicContact CG2-CG2 4.3Å; V245-L264 PolarHBondContact N-O 3.24Å; V245-L265 HydrophobicContact CB-CD2 3.74Å; V245-L265 HydrophobicContact CG1-CD2 4.48Å; V245-L265 HydrophobicContact CG2-CD2 4.16Å; V245-L265 WeakPolarHBondContact O-CA 3.31Å; V245-K266 PolarHBondContact O-N 3.38Å |
| 246 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 109.5 | 177.4 | -53.7 | 176.4 | 0 | 0 | 0 | 109.3 | L169 I213 E214 K216 L244 W248 K266 F269 | L169-I246 HydrophobicContact CD1-CD1 4.12Å; I213-I246 HydrophobicContact CG2-CD1 3.79Å; I213-I246 HydrophobicContact CG2-CG1 4.09Å; E214-I246 PolarHBondContact O-N 3.44Å; K216-I246 PolarHBondContact N-O 3.24Å; L244-I246 HydrophobicContact CD2-CD1 4.19Å; L244-I246 HydrophobicContact CD2-CG1 4.06Å; L244-I246 HydrophobicContact CG-CG1 4.04Å; I246-W248 HydrophobicContact CB-CZ2 4.42Å; I246-W248 HydrophobicContact CD1-CH2 4.46Å; I246-W248 HydrophobicContact CD1-CZ2 4.2Å; I246-W248 HydrophobicContact CG2-CD2 3.64Å; I246-W248 HydrophobicContact CG2-CE3 3.93Å; I246-W248 HydrophobicContact CG2-CG 4.19Å; I246-W248 HydrophobicContact CG2-CH2 4.18Å; I246-W248 HydrophobicContact CG2-CZ2 3.89Å; I246-W248 HydrophobicContact CG2-CZ3 4.19Å; I246-W248 PolarHBondContact O-N 3.3Å; I246-K266 CarbonylContact C-O 3.51Å; I246-K266 VanDerWaalsContact CA-O 3.3Å; I246-K266 WeakPolarHBondContact CA-O 3.18Å; I246-F269 HydrophobicContact CD1-CD2 4.33Å |
| 247 | Y | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 92.5 | 169.5 | -73 | -77.5 | 0 | 0 | 0 | 110.3 | K216 H225 V245 Y249 G250 F251 L265 K266 D267 | K216-Y247 HydrophobicContact CB-CD1 3.69Å; K216-Y247 HydrophobicContact CB-CE1 3.87Å; K216-Y247 HydrophobicContact CB-CG 4.46Å; K216-Y247 HydrophobicContact CG-CD1 4.34Å; K216-Y247 HydrophobicContact CG-CE1 4.05Å; K216-Y247 WeakPolarHBondContact O-CA 3.42Å; H225-Y247 AromaticContact ND1-CE2 3.8Å; H225-Y247 AromaticContact ND1-CZ 3.78Å; H225-Y247 PolarHBondContact ND1-OH 3.47Å; V245-Y247 HydrophobicContact CG1-CD2 4.16Å; V245-Y247 HydrophobicContact CG1-CE2 3.79Å; Y247-Y249 PolarHBondContact O-N 3.08Å; Y247-Y249 VanDerWaalsContact O-N 3.12Å; Y247-G250 WeakPolarHBondContact CB-O 3.37Å; Y247-G250 PolarHBondContact O-N 3.15Å; Y247-F251 HydrophobicContact CD2-CB 3.85Å; Y247-F251 HydrophobicContact CD2-CD1 4.26Å; Y247-F251 HydrophobicContact CD2-CG 4.12Å; Y247-F251 HydrophobicContact CG-CB 4Å; Y247-L265 HydrophobicContact CE2-CD1 4.36Å; Y247-L265 HydrophobicContact CE2-CD2 4.19Å; Y247-K266 PolarHBondContact N-O 2.85Å; Y247-D267 WeakPolarHBondContact O-CA 3.22Å |
| 248 | W | 98.1 | Very high | 97.1 | Very high | 37 Ų | 37 | 35.1 Ų | 35.1 | 14% | 0.14 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26.2 | -171.7 | -63.7 | 106.2 | 0 | 0 | 0 | 114.6 | H165 L168 L169 S215 K216 I246 F269 | H165-W248 HydrophobicContact CB-CD2 4.48Å; H165-W248 HydrophobicContact CB-CG 4.2Å; H165-W248 VanDerWaalsContact CD2-CB 3.45Å; H165-W248 WeakPolarHBondContact CD2-CB 3.37Å; H165-W248 AromaticContact CD2-CD1 3.54Å; H165-W248 AromaticContact CD2-CD2 3.47Å; H165-W248 VanDerWaalsContact CD2-CD2 3.47Å; H165-W248 AromaticContact CD2-CE2 3.95Å; H165-W248 AromaticContact CD2-CG 3.19Å; H165-W248 AromaticContact CD2-NE1 3.99Å; H165-W248 AromaticContact CG-CD1 3.73Å; H165-W248 AromaticContact CG-CG 3.86Å; L168-W248 HydrophobicContact CD2-CH2 4.13Å; L168-W248 HydrophobicContact CD2-CZ3 4.02Å; L168-W248 HydrophobicContact CG-CH2 4.42Å; L169-W248 HydrophobicContact CB-CZ2 4.29Å; S215-W248 PolarHBondContact OG-NE1 3.49Å; K216-W248 PolarHBondContact O-N 3.1Å; I246-W248 HydrophobicContact CB-CZ2 4.42Å; I246-W248 HydrophobicContact CD1-CH2 4.46Å; I246-W248 HydrophobicContact CD1-CZ2 4.2Å; I246-W248 HydrophobicContact CG2-CD2 3.64Å; I246-W248 HydrophobicContact CG2-CE3 3.93Å; I246-W248 HydrophobicContact CG2-CG 4.19Å; I246-W248 HydrophobicContact CG2-CH2 4.18Å; I246-W248 HydrophobicContact CG2-CZ2 3.89Å; I246-W248 HydrophobicContact CG2-CZ3 4.19Å; I246-W248 PolarHBondContact O-N 3.3Å; W248-F269 HydrophobicContact CH2-CB 4.12Å; W248-F269 HydrophobicContact CZ3-CB 4.48Å |
| 249 | Y | 97.6 | Very high | 97 | Very high | 41 Ų | 41 | 31.8 Ų | 31.8 | 16% | 0.161 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 13.2 | 176.7 | -58.2 | -30 | 0 | 0 | 0 | 113.4 | T39 V161 H165 A217 F219 Y247 | T39-Y249 WeakPolarHBondContact CA-O 3.23Å; T39-Y249 WeakPolarHBondContact CB-O 3.31Å; T39-Y249 WeakPolarHBondContact CG2-O 3.31Å; T39-Y249 PolarHBondContact OG1-O 3.16Å; T39-Y249 VanDerWaalsContact OG1-O 3.1Å; V161-Y249 HydrophobicContact CG1-CE2 3.89Å; V161-Y249 WeakPolarHBondContact CG1-OH 3.47Å; H165-Y249 AromaticContact CE1-CE1 3.92Å; H165-Y249 AromaticContact CE1-CZ 3.74Å; H165-Y249 PolarHBondContact CE1-OH 3.17Å; H165-Y249 VanDerWaalsContact CE1-OH 3.26Å; H165-Y249 AromaticContact NE2-CE1 3.84Å; A217-Y249 HydrophobicContact CB-CE2 4.43Å; A217-Y249 WeakPolarHBondContact O-CD2 3.15Å; A217-Y249 WeakPolarHBondContact O-CE2 3.42Å; F219-Y249 WeakPolarHBondContact CD2-O 3.32Å; Y247-Y249 PolarHBondContact O-N 3.08Å; Y247-Y249 VanDerWaalsContact O-N 3.12Å |
| 250 | G | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | 95.1 | 171.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | M1 F219 G220 Y247 | M1-G250 CarbonylContact O-C 3.54Å; M1-G250 WeakPolarHBondContact O-CA 3.36Å; F219-G250 CarbonylContact C-O 3.46Å; F219-G250 VanDerWaalsContact CA-O 3.24Å; F219-G250 WeakPolarHBondContact CA-O 3.32Å; F219-G250 VanDerWaalsContact CD2-C 3.5Å; F219-G250 WeakPolarHBondContact CD2-O 3.39Å; G220-G250 PolarHBondContact N-O 2.92Å; Y247-G250 WeakPolarHBondContact CB-O 3.37Å; Y247-G250 PolarHBondContact O-N 3.15Å | ||
| 251 | F | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 163.4 | -178.8 | 65 | -82.9 | 0 | 0 | 0 | 110.7 | M1 R2 L3 G220 Y247 E253 D256 L265 D267 | M1-F251 PolarHBondContact O-N 3.32Å; M1-F251 VanDerWaalsContact O-N 3.14Å; R2-F251 HydrophobicContact CG-CE1 3.82Å; R2-F251 HydrophobicContact CG-CE2 4.47Å; R2-F251 HydrophobicContact CG-CZ 3.77Å; L3-F251 PolarHBondContact N-O 2.83Å; G220-F251 WeakPolarHBondContact O-CA 3.42Å; Y247-F251 HydrophobicContact CD2-CB 3.85Å; Y247-F251 HydrophobicContact CD2-CD1 4.26Å; Y247-F251 HydrophobicContact CD2-CG 4.12Å; Y247-F251 HydrophobicContact CG-CB 4Å; F251-E253 PolarHBondContact O-N 2.88Å; F251-D256 HydrophobicContact CE2-CB 4.1Å; F251-L265 HydrophobicContact CD2-CB 4.36Å; F251-L265 HydrophobicContact CD2-CD1 4.03Å; F251-L265 HydrophobicContact CE1-CB 4.31Å; F251-L265 HydrophobicContact CE2-CB 3.86Å; F251-L265 HydrophobicContact CE2-CD1 4.11Å; F251-L265 HydrophobicContact CZ-CB 3.81Å; F251-D267 HydrophobicContact CD1-CB 4Å; F251-D267 HydrophobicContact CE1-CB 3.8Å |
| 252 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 117 | 171.2 | -62 | 172.1 | 0 | 0 | 0 | 108.5 | L3 R5 Y8 F219 G220 D221 E254 L255 | L3-I252 CarbonylContact O-C 3.58Å; L3-I252 VanDerWaalsContact O-CA 3.31Å; L3-I252 WeakPolarHBondContact O-CA 3.39Å; R5-I252 HydrophobicContact CB-CG2 3.81Å; R5-I252 HydrophobicContact CG-CG2 4.35Å; Y8-I252 HydrophobicContact CD1-CD1 3.34Å; Y8-I252 HydrophobicContact CD1-CG1 3.93Å; Y8-I252 HydrophobicContact CD2-CD1 4.42Å; Y8-I252 HydrophobicContact CD2-CG1 4.39Å; Y8-I252 HydrophobicContact CE1-CD1 3.63Å; Y8-I252 HydrophobicContact CG-CD1 3.76Å; Y8-I252 HydrophobicContact CG-CG1 3.82Å; F219-I252 HydrophobicContact CE1-CG1 3.96Å; F219-I252 HydrophobicContact CZ-CG1 4.27Å; G220-I252 PolarHBondContact O-N 3.34Å; D221-I252 HydrophobicContact CB-CD1 4.15Å; I252-E254 HydrophobicContact CG2-CB 4.46Å; I252-E254 WeakPolarHBondContact CG2-OE2 3.26Å; I252-E254 PolarHBondContact O-N 3.3Å; I252-E254 VanDerWaalsContact O-N 3.14Å; I252-L255 HydrophobicContact CB-CD1 3.81Å; I252-L255 HydrophobicContact CB-CG 3.85Å; I252-L255 HydrophobicContact CG2-CG 4.27Å; I252-L255 VanDerWaalsContact O-CB 3.23Å; I252-L255 WeakPolarHBondContact O-CB 3.29Å; I252-L255 VanDerWaalsContact O-CG 3.23Å; I252-L255 WeakPolarHBondContact O-CG 3.32Å; I252-L255 PolarHBondContact O-N 3.46Å |
| 253 | E | 97.6 | Very high | 96.8 | Very high | 103 Ų | 103 | 36.8 Ų | 36.8 | 48% | 0.481 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -52.3 | -40.8 | -172.7 | -177.6 | 172.8 | -153 | 0 | 0 | 112.7 | R2 L3 F251 L255 D256 | R2-E253 HydrophobicContact CB-CB 4.34Å; L3-E253 PolarHBondContact O-N 3.48Å; F251-E253 PolarHBondContact O-N 2.88Å; E253-L255 PolarHBondContact O-N 2.96Å; E253-D256 WeakPolarHBondContact O-CB 3.29Å; E253-D256 PolarHBondContact O-N 3.41Å; E253-D256 VanDerWaalsContact O-N 3.12Å |
| 254 | E | 97.8 | Very high | 96.8 | Very high | 82 Ų | 82 | 37 Ų | 37 | 38% | 0.383 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -67.7 | -7.4 | -178.4 | -56 | 92 | 144.9 | 0 | 0 | 113.9 | R5 I252 | R5-E254 WeakPolarHBondContact CB-OE1 3.46Å; R5-E254 WeakPolarHBondContact CB-OE2 3.38Å; R5-E254 VanDerWaalsContact N-CD 3.35Å; R5-E254 PolarHBondContact N-OE1 2.97Å; R5-E254 PolarHBondContact N-OE2 3.37Å; I252-E254 HydrophobicContact CG2-CB 4.46Å; I252-E254 WeakPolarHBondContact CG2-OE2 3.26Å; I252-E254 PolarHBondContact O-N 3.3Å; I252-E254 VanDerWaalsContact O-N 3.14Å |
| 255 | L | 97.3 | Very high | 96.8 | Very high | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -70.6 | -24 | 172.6 | -62.8 | 174.4 | 0 | 0 | 0 | 112.4 | G220 H225 I252 E253 C257 L265 | G220-L255 WeakPolarHBondContact O-CD1 3.45Å; H225-L255 HydrophobicContact CB-CD1 3.89Å; H225-L255 HydrophobicContact CB-CD2 4.29Å; I252-L255 HydrophobicContact CB-CD1 3.81Å; I252-L255 HydrophobicContact CB-CG 3.85Å; I252-L255 HydrophobicContact CG2-CG 4.27Å; I252-L255 VanDerWaalsContact O-CB 3.23Å; I252-L255 WeakPolarHBondContact O-CB 3.29Å; I252-L255 VanDerWaalsContact O-CG 3.23Å; I252-L255 WeakPolarHBondContact O-CG 3.32Å; I252-L255 PolarHBondContact O-N 3.46Å; E253-L255 PolarHBondContact O-N 2.96Å; L255-C257 PolarHBondContact O-N 3.22Å; L255-L265 HydrophobicContact CB-CD1 3.8Å |
| 256 | D | 95 | Very high | 96.8 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 11% | 0.107 | 18% | 0.184 | C | C | . | . | trans | -79 | 36.8 | -176.8 | -154.8 | 8.2 | 0 | 0 | 0 | 112.8 | F251 E253 Q258 R259 L265 | F251-D256 HydrophobicContact CE2-CB 4.1Å; E253-D256 WeakPolarHBondContact O-CB 3.29Å; E253-D256 PolarHBondContact O-N 3.41Å; E253-D256 VanDerWaalsContact O-N 3.12Å; D256-Q258 VanDerWaalsContact C-N 3.35Å; D256-R259 WeakPolarHBondContact O-CG 3.48Å; D256-R259 WeakPolarHBondContact OD1-CG 3.33Å; D256-R259 IonicContact OD1-NE 3.23Å; D256-R259 PolarHBondContact OD1-NE 3.25Å; D256-R259 IonicContact OD2-CZ 3.06Å; D256-R259 IonicContact OD2-NE 2.71Å; D256-R259 PolarHBondContact OD2-NE 2.89Å; D256-R259 IonicContact OD2-NH2 2.66Å; D256-R259 PolarHBondContact OD2-NH2 3.49Å; D256-L265 HydrophobicContact CB-CB 4.13Å; D256-L265 HydrophobicContact CB-CD1 4.09Å; D256-L265 HydrophobicContact CB-CG 4.18Å; D256-L265 WeakPolarHBondContact OD1-CB 3.35Å; D256-L265 WeakPolarHBondContact OD1-CG 3.45Å; D256-L265 PolarHBondContact OD1-N 3.07Å | ||
| 257 | C | 93.8 | Very high | 96.7 | Very high | 86 Ų | 86 | 39.6 Ų | 39.6 | 58% | 0.581 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -1 | 178.8 | 61.9 | 0 | 0 | 0 | 0 | 113.2 | L255 | L255-C257 PolarHBondContact O-N 3.22Š|
| 258 | Q | 94.4 | Very high | 96.6 | Very high | 37 Ų | 37 | 42.5 Ų | 42.5 | 17% | 0.173 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 10.2 | -179.1 | -57 | -58.7 | -52 | 0 | 0 | 113.2 | W234 D256 D260 R261 G262 I263 | W234-Q258 HydrophobicContact CH2-CB 4.35Å; W234-Q258 HydrophobicContact CH2-CG 4.48Å; W234-Q258 HydrophobicContact CZ2-CG 4.37Å; D256-Q258 VanDerWaalsContact C-N 3.35Å; Q258-D260 PolarHBondContact O-N 3.13Å; Q258-R261 CarbonylContact O-C 3.46Å; Q258-R261 WeakPolarHBondContact O-CA 3.49Å; Q258-R261 WeakPolarHBondContact O-CB 3.32Å; Q258-R261 PolarHBondContact O-N 3.32Å; Q258-R261 VanDerWaalsContact OE1-CD 3.26Å; Q258-G262 PolarHBondContact O-N 3.05Å; Q258-I263 CarbonylContact C-O 3.52Å; Q258-I263 VanDerWaalsContact C-O 3.26Å; Q258-I263 HydrophobicContact CB-CB 4.03Å; Q258-I263 PolarHBondContact O-N 2.95Å; Q258-I263 VanDerWaalsContact O-N 3.11Å |
| 259 | R | 93.6 | Very high | 96.6 | Very high | 50 Ų | 50 | 41.6 Ų | 41.6 | 19% | 0.189 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -53.6 | -49.8 | 179.3 | -72.2 | 177.3 | 169.7 | -119.1 | -3.1 | 112.6 | E206 D256 R261 G262 I263 L264 | E206-R259 IonicContact OE2-CZ 3.35Å; E206-R259 IonicContact OE2-NH1 2.68Å; E206-R259 PolarHBondContact OE2-NH1 3.44Å; E206-R259 IonicContact OE2-NH2 3.09Å; E206-R259 PolarHBondContact OE2-NH2 3.4Å; E206-R259 VanDerWaalsContact OE2-NH2 3.09Å; D256-R259 WeakPolarHBondContact O-CG 3.48Å; D256-R259 WeakPolarHBondContact OD1-CG 3.33Å; D256-R259 IonicContact OD1-NE 3.23Å; D256-R259 PolarHBondContact OD1-NE 3.25Å; D256-R259 IonicContact OD2-CZ 3.06Å; D256-R259 IonicContact OD2-NE 2.71Å; D256-R259 PolarHBondContact OD2-NE 2.89Å; D256-R259 IonicContact OD2-NH2 2.66Å; D256-R259 PolarHBondContact OD2-NH2 3.49Å; R259-R261 PolarHBondContact O-N 2.94Å; R259-R261 VanDerWaalsContact O-N 3.15Å; R259-G262 WeakPolarHBondContact O-CA 3.4Å; R259-G262 PolarHBondContact O-N 3.31Å; R259-I263 WeakPolarHBondContact CA-O 3.5Å; R259-I263 PolarHBondContact N-O 3.14Å; R259-L264 HydrophobicContact CG-CD1 3.92Å |
| 260 | D | 92.4 | Very high | 96.5 | Very high | 154 Ų | 154 | 39.7 Ų | 39.7 | 82% | 0.824 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -65.7 | -18.8 | 178.7 | -60 | -35.8 | 0 | 0 | 0 | 113 | Q258 G262 | Q258-D260 PolarHBondContact O-N 3.13Å; D260-G262 VanDerWaalsContact C-N 3.35Å |
| 261 | R | 94.4 | Very high | 96.3 | Very high | 139 Ų | 139 | 44.8 Ų | 44.8 | 53% | 0.525 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -93.6 | 5.8 | 174.4 | -66.5 | -176.2 | 57.8 | -156.6 | 5.3 | 112.7 | W234 W237 Q258 R259 | W234-R261 HydrophobicContact CH2-CB 3.94Å; W234-R261 HydrophobicContact CZ3-CB 4.35Å; W237-R261 PolarHBondContact NE1-O 2.66Å; Q258-R261 CarbonylContact O-C 3.46Å; Q258-R261 WeakPolarHBondContact O-CA 3.49Å; Q258-R261 WeakPolarHBondContact O-CB 3.32Å; Q258-R261 PolarHBondContact O-N 3.32Å; Q258-R261 VanDerWaalsContact OE1-CD 3.26Å; R259-R261 PolarHBondContact O-N 2.94Å; R259-R261 VanDerWaalsContact O-N 3.15Å |
| 262 | G | 95.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 13% | 0.134 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 15.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | P242 G243 Q258 R259 D260 | P242-G262 CarbonylContact C-O 3.26Å; P242-G262 WeakPolarHBondContact CA-O 3.5Å; G243-G262 PolarHBondContact N-O 3.49Å; Q258-G262 PolarHBondContact O-N 3.05Å; R259-G262 WeakPolarHBondContact O-CA 3.4Å; R259-G262 PolarHBondContact O-N 3.31Å; D260-G262 VanDerWaalsContact C-N 3.35Å |
| 263 | I | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 106.4 | 171.4 | -53.8 | -62 | 0 | 0 | 0 | 108.7 | W212 L229 F233 W234 W237 V245 Q258 R259 L265 | W212-I263 HydrophobicContact CH2-CD1 3.94Å; W212-I263 HydrophobicContact CZ2-CD1 3.57Å; L229-I263 HydrophobicContact CD2-CG1 4.44Å; L229-I263 HydrophobicContact CD2-CG2 4.44Å; F233-I263 HydrophobicContact CB-CD1 4.15Å; W234-I263 HydrophobicContact CE3-CG1 4.25Å; W234-I263 HydrophobicContact CH2-CG1 3.85Å; W234-I263 HydrophobicContact CZ3-CD1 4.27Å; W234-I263 HydrophobicContact CZ3-CG1 3.63Å; W237-I263 HydrophobicContact CB-CD1 4.13Å; V245-I263 HydrophobicContact CG2-CG2 4.3Å; Q258-I263 CarbonylContact C-O 3.52Å; Q258-I263 VanDerWaalsContact C-O 3.26Å; Q258-I263 HydrophobicContact CB-CB 4.03Å; Q258-I263 PolarHBondContact O-N 2.95Å; Q258-I263 VanDerWaalsContact O-N 3.11Å; R259-I263 WeakPolarHBondContact CA-O 3.5Å; R259-I263 PolarHBondContact N-O 3.14Å; I263-L265 HydrophobicContact CG2-CD2 4.15Å |
| 264 | L | 98 | Very high | 95.6 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 137.1 | 177.4 | 179 | 61.7 | 0 | 0 | 0 | 110.4 | V205 I210 G243 L244 V245 R259 | V205-L264 HydrophobicContact CB-CD2 4.02Å; V205-L264 HydrophobicContact CG1-CD2 3.87Å; I210-L264 HydrophobicContact CG2-CD2 4.47Å; G243-L264 PolarHBondContact O-N 2.83Å; L244-L264 CarbonylContact C-O 3.42Å; L244-L264 WeakPolarHBondContact CA-O 3.49Å; L244-L264 HydrophobicContact CD1-CB 4.15Å; L244-L264 HydrophobicContact CD1-CD2 4.01Å; L244-L264 HydrophobicContact CD1-CG 3.84Å; L244-L264 WeakPolarHBondContact CD1-O 3.4Å; V245-L264 PolarHBondContact N-O 3.24Å; R259-L264 HydrophobicContact CG-CD1 3.92Å |
| 265 | L | 98.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.6 | 172.8 | -49.1 | -174.2 | 0 | 0 | 0 | 112 | V245 Y247 F251 L255 D256 I263 | V245-L265 HydrophobicContact CB-CD2 3.74Å; V245-L265 HydrophobicContact CG1-CD2 4.48Å; V245-L265 HydrophobicContact CG2-CD2 4.16Å; V245-L265 WeakPolarHBondContact O-CA 3.31Å; Y247-L265 HydrophobicContact CE2-CD1 4.36Å; Y247-L265 HydrophobicContact CE2-CD2 4.19Å; F251-L265 HydrophobicContact CD2-CB 4.36Å; F251-L265 HydrophobicContact CD2-CD1 4.03Å; F251-L265 HydrophobicContact CE1-CB 4.31Å; F251-L265 HydrophobicContact CE2-CB 3.86Å; F251-L265 HydrophobicContact CE2-CD1 4.11Å; F251-L265 HydrophobicContact CZ-CB 3.81Å; L255-L265 HydrophobicContact CB-CD1 3.8Å; D256-L265 HydrophobicContact CB-CB 4.13Å; D256-L265 HydrophobicContact CB-CD1 4.09Å; D256-L265 HydrophobicContact CB-CG 4.18Å; D256-L265 WeakPolarHBondContact OD1-CB 3.35Å; D256-L265 WeakPolarHBondContact OD1-CG 3.45Å; D256-L265 PolarHBondContact OD1-N 3.07Å; I263-L265 HydrophobicContact CG2-CD2 4.15Å |
| 266 | K | 98.1 | Very high | 94.1 | Very high | 18 Ų | 18 | 51.1 Ų | 51.1 | 8% | 0.078 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 159.5 | 169.8 | -65.2 | -78.8 | -91 | -172.8 | 0 | 110.1 | E206 L244 V245 I246 Y247 C268 | E206-K266 IonicContact OE1-NZ 3.55Å; E206-K266 PolarHBondContact OE1-NZ 2.64Å; L244-K266 HydrophobicContact CD1-CB 3.89Å; L244-K266 HydrophobicContact CD1-CG 3.47Å; L244-K266 VanDerWaalsContact CD1-CG 3.47Å; V245-K266 PolarHBondContact O-N 3.38Å; I246-K266 CarbonylContact C-O 3.51Å; I246-K266 VanDerWaalsContact CA-O 3.3Å; I246-K266 WeakPolarHBondContact CA-O 3.18Å; Y247-K266 PolarHBondContact N-O 2.85Å; K266-C268 WeakPolarHBondContact CB-O 3.37Å |
| 267 | D | 97 | Very high | 92.5 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 19% | 0.193 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -110.2 | 5.3 | 177.5 | 60.1 | -35.7 | 0 | 0 | 0 | 113.1 | M1 R2 Y247 F251 | M1-D267 VanDerWaalsContact C-OD2 3.25Å; M1-D267 WeakPolarHBondContact CA-OD2 3.45Å; M1-D267 VanDerWaalsContact N-CB 3.26Å; M1-D267 PolarHBondContact N-OD2 3.41Å; R2-D267 PolarHBondContact N-OD2 3.05Å; R2-D267 IonicContact NE-OD1 2.79Å; Y247-D267 WeakPolarHBondContact O-CA 3.22Å; F251-D267 HydrophobicContact CD1-CB 4Å; F251-D267 HydrophobicContact CE1-CB 3.8Å |
| 268 | C | 97 | Very high | 90.5 | Very high | 61 Ų | 61 | 55.3 Ų | 55.3 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -158.8 | 167.5 | 173.1 | 61 | 0 | 0 | 0 | 0 | 109.5 | K266 | K266-C268 WeakPolarHBondContact CB-O 3.37Š|
| 269 | F | 97.6 | Very high | 88.4 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 8% | 0.075 | 30% | 0.303 | C | S | . | . | trans | -62.4 | 128.7 | 172.1 | -173.2 | -96.4 | 0 | 0 | 0 | 110.6 | L169 K172 L173 R176 I246 W248 I273 | L169-F269 HydrophobicContact CD1-CD2 3.7Å; L169-F269 HydrophobicContact CD1-CE2 3.85Å; K172-F269 HydrophobicContact CB-CD1 3.87Å; K172-F269 HydrophobicContact CB-CD2 3.85Å; K172-F269 HydrophobicContact CB-CE1 3.95Å; K172-F269 HydrophobicContact CB-CE2 3.94Å; K172-F269 HydrophobicContact CB-CG 3.81Å; K172-F269 HydrophobicContact CB-CZ 3.98Å; K172-F269 HydrophobicContact CD-CD1 4.39Å; K172-F269 HydrophobicContact CG-CB 4.44Å; K172-F269 HydrophobicContact CG-CD1 4.39Å; K172-F269 HydrophobicContact CG-CG 4.24Å; L173-F269 HydrophobicContact CD2-CE2 3.83Å; L173-F269 HydrophobicContact CD2-CZ 4.02Å; L173-F269 HydrophobicContact CG-CE2 4.08Å; L173-F269 HydrophobicContact CG-CZ 4.45Å; R176-F269 HydrophobicContact CG-CE1 4.04Å; R176-F269 HydrophobicContact CG-CZ 4.42Å; I246-F269 HydrophobicContact CD1-CD2 4.33Å; W248-F269 HydrophobicContact CH2-CB 4.12Å; W248-F269 HydrophobicContact CZ3-CB 4.48Å; F269-I273 HydrophobicContact CE1-CD1 3.65Å; F269-I273 HydrophobicContact CE2-CD1 4.42Å; F269-I273 HydrophobicContact CZ-CD1 3.52Å | ||
| 270 | P | 96.1 | Very high | 86.2 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.013 | 32% | 0.317 | C | S | . | . | trans | -64.9 | 136.3 | -177 | 23.4 | -30.4 | 0 | 0 | 0 | 111.5 | V205 L244 I273 | V205-P270 HydrophobicContact CG1-CB 3.57Å; V205-P270 HydrophobicContact CG1-CG 4.06Å; V205-P270 HydrophobicContact CG2-CB 4.15Å; V205-P270 HydrophobicContact CG2-CG 3.92Å; L244-P270 HydrophobicContact CD2-CG 3.97Å; P270-I273 HydrophobicContact CB-CG1 4.13Å; P270-I273 HydrophobicContact CG-CD1 4.02Å; P270-I273 HydrophobicContact CG-CG1 3.9Å | ||
| 271 | T | 92.3 | Very high | 84 | Confident | 106 Ų | 106 | 55 Ų | 55 | 65% | 0.65 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -91.1 | -24.4 | 176.9 | 50.6 | 0 | 0 | 0 | 0 | 112.3 | R176 I273 | R176-T271 PolarHBondContact NH1-O 3.43Å; R176-T271 PolarHBondContact NH2-O 3.29Å; T271-I273 PolarHBondContact O-N 3.45Å |
| 272 | D | 91.5 | Very high | 81.9 | Confident | 64 Ų | 64 | 54 Ų | 54 | 34% | 0.342 | 31% | 0.306 | S | S | . | . | trans | -93.1 | 40 | -174 | 61.5 | -52.9 | 0 | 0 | 0 | 113.3 | E206 | E206-D272 WeakPolarHBondContact CG-OD2 3.25Å; E206-D272 PolarHBondContact N-OD2 2.88Å | ||
| 273 | I | 94.8 | Very high | 79.9 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 16% | 0.164 | 33% | 0.327 | C | S | . | . | trans | -76.5 | 127.2 | 179.3 | -56.7 | 176.1 | 0 | 0 | 0 | 110.1 | L178 V203 V205 F269 P270 T271 | L178-I273 HydrophobicContact CD1-CD1 3.82Å; L178-I273 HydrophobicContact CD1-CG2 4.21Å; V203-I273 HydrophobicContact CB-CG2 3.67Å; V203-I273 HydrophobicContact CG1-CG2 4.04Å; V203-I273 HydrophobicContact CG2-CG2 3.7Å; V205-I273 HydrophobicContact CG2-CG1 4.21Å; F269-I273 HydrophobicContact CE1-CD1 3.65Å; F269-I273 HydrophobicContact CE2-CD1 4.42Å; F269-I273 HydrophobicContact CZ-CD1 3.52Å; P270-I273 HydrophobicContact CB-CG1 4.13Å; P270-I273 HydrophobicContact CG-CD1 4.02Å; P270-I273 HydrophobicContact CG-CG1 3.9Å; T271-I273 PolarHBondContact O-N 3.45Å | ||
| 274 | I | 93.9 | Very high | 77.6 | Confident | 105 Ų | 105 | 65.3 Ų | 65.3 | 54% | 0.538 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124 | 173.1 | -57.6 | 169.1 | 0 | 0 | 0 | 108.6 | A204 | A204-I274 HydrophobicContact CB-CB 4.25Å; A204-I274 PolarHBondContact N-O 3.45Å; A204-I274 PolarHBondContact O-N 2.79Å |
| 275 | T | 89.8 | Confident | 75.3 | Confident | 41 Ų | 41 | 70.9 Ų | 70.9 | 25% | 0.252 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 143.2 | 176.7 | 59.8 | 0 | 0 | 0 | 0 | 110.8 | L178 V203 C277 H278 | L178-T275 HydrophobicContact CD2-CG2 3.64Å; V203-T275 HydrophobicContact CG1-CG2 4.31Å; T275-C277 PolarHBondContact O-N 2.97Å; T275-H278 PolarHBondContact O-N 2.86Å; T275-H278 VanDerWaalsContact O-N 3.11Å |
| 276 | L | 74.1 | Confident | 73.2 | Confident | 86 Ų | 86 | 73.8 Ų | 73.8 | 45% | 0.45 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.4 | -26 | -179.5 | -68.3 | 169.9 | 0 | 0 | 0 | 112.8 | V201 P202 I209 H278 A279 | V201-L276 HydrophobicContact CG1-CD1 4.33Å; P202-L276 HydrophobicContact CB-CD1 4.35Å; P202-L276 VanDerWaalsContact O-CD1 3.29Å; P202-L276 WeakPolarHBondContact O-CD1 3.39Å; P202-L276 WeakPolarHBondContact O-CG 3.32Å; I209-L276 HydrophobicContact CD1-CD2 4.31Å; L276-H278 VanDerWaalsContact C-N 3.27Å; L276-H278 PolarHBondContact O-N 3.21Å; L276-A279 PolarHBondContact O-N 2.89Å |
| 277 | C | 62.1 | Low | 71 | Confident | 89 Ų | 89 | 79 Ų | 79 | 60% | 0.601 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -69.6 | -18.6 | 176.7 | -60.7 | 0 | 0 | 0 | 0 | 114.2 | T275 T280 | T275-C277 PolarHBondContact O-N 2.97Å; C277-T280 PolarHBondContact O-OG1 3.24Å |
| 278 | H | 51 | Low | 68.8 | Low | 105 Ų | 105 | 80 Ų | 80 | 49% | 0.486 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -86.7 | -18.8 | 177.3 | -99.3 | -60.5 | 0 | 0 | 0 | 113.5 | T275 L276 Q281 L282 | T275-H278 PolarHBondContact O-N 2.86Å; T275-H278 VanDerWaalsContact O-N 3.11Å; L276-H278 VanDerWaalsContact C-N 3.27Å; L276-H278 PolarHBondContact O-N 3.21Å; H278-Q281 PolarHBondContact CE1-OE1 3.21Å; H278-Q281 PolarHBondContact ND1-OE1 3.31Å; H278-Q281 PolarHBondContact O-N 2.95Å; H278-L282 PolarHBondContact O-N 3.37Å |
| 279 | A | 50.3 | Low | 66.5 | Low | 50 Ų | 50 | 83.5 Ų | 83.5 | 41% | 0.413 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L276 Q281 L282 E283 | L276-A279 PolarHBondContact O-N 2.89Å; A279-Q281 PolarHBondContact O-N 3.4Å; A279-L282 PolarHBondContact O-N 3.13Å; A279-E283 PolarHBondContact O-N 3.14Å |
| 280 | T | 48.1 | Very low | 64.4 | Low | 78 Ų | 78 | 90.4 Ų | 90.4 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.6 | -29.8 | 178 | 43.2 | 0 | 0 | 0 | 0 | 113.3 | C277 Q284 | C277-T280 PolarHBondContact O-OG1 3.24Å; T280-Q284 WeakPolarHBondContact O-CB 3.42Å; T280-Q284 VanDerWaalsContact O-CG 3.29Å; T280-Q284 WeakPolarHBondContact O-CG 3.42Å; T280-Q284 PolarHBondContact O-N 2.95Å; T280-Q284 VanDerWaalsContact O-N 3.1Å |
| 281 | Q | 46.6 | Very low | 62.2 | Low | 106 Ų | 106 | 97.6 Ų | 97.6 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -74.3 | -35 | 176.4 | -73.2 | -177.8 | -13.9 | 0 | 0 | 112.7 | H278 A279 M285 | H278-Q281 PolarHBondContact CE1-OE1 3.21Å; H278-Q281 PolarHBondContact ND1-OE1 3.31Å; H278-Q281 PolarHBondContact O-N 2.95Å; A279-Q281 PolarHBondContact O-N 3.4Å; Q281-M285 WeakPolarHBondContact O-CB 3.34Å; Q281-M285 WeakPolarHBondContact O-CG 3.45Å; Q281-M285 PolarHBondContact O-N 2.87Å |
| 282 | L | 50.2 | Low | 60.2 | Low | 119 Ų | 119 | 99.7 Ų | 99.7 | 62% | 0.623 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70 | -37.6 | 175.8 | -78.7 | 162.3 | 0 | 0 | 0 | 111.9 | H278 A279 S286 | H278-L282 PolarHBondContact O-N 3.37Å; A279-L282 PolarHBondContact O-N 3.13Å; L282-S286 WeakPolarHBondContact O-CB 3.3Å; L282-S286 PolarHBondContact O-N 3.12Å; L282-S286 VanDerWaalsContact O-N 3.08Å; L282-S286 PolarHBondContact O-OG 3Å |
| 283 | E | 52.5 | Low | 58.2 | Low | 123 Ų | 123 | 105.5 Ų | 105.5 | 58% | 0.575 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.5 | -46.3 | 172.6 | -75.8 | 178.6 | 164.8 | 0 | 0 | 111.2 | A279 M285 S286 E287 | A279-E283 PolarHBondContact O-N 3.14Å; E283-M285 PolarHBondContact O-N 3.35Å; E283-S286 PolarHBondContact O-N 3.31Å; E283-S286 PolarHBondContact O-OG 3.1Å; E283-E287 PolarHBondContact O-N 3.4Å |
| 284 | Q | 49.9 | Very low | 55.6 | Low | 129 Ų | 129 | 115.8 Ų | 115.8 | 60% | 0.603 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63 | -36.1 | 176.8 | -76.2 | 179.5 | -12.8 | 0 | 0 | 113.6 | T280 S286 S288 | T280-Q284 WeakPolarHBondContact O-CB 3.42Å; T280-Q284 VanDerWaalsContact O-CG 3.29Å; T280-Q284 WeakPolarHBondContact O-CG 3.42Å; T280-Q284 PolarHBondContact O-N 2.95Å; T280-Q284 VanDerWaalsContact O-N 3.1Å; Q284-S286 VanDerWaalsContact C-N 3.32Å; Q284-S288 WeakPolarHBondContact O-CB 3.48Å; Q284-S288 PolarHBondContact O-N 2.77Å; Q284-S288 VanDerWaalsContact O-N 3.09Å; Q284-S288 PolarHBondContact O-OG 2.99Å |
| 285 | M | 50.3 | Low | 53.7 | Low | 120 Ų | 120 | 116.4 Ų | 116.4 | 59% | 0.591 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.4 | -27.9 | 173.2 | -75.4 | -176.3 | 68.6 | 0 | 0 | 112.9 | Q281 E283 S288 Q289 | Q281-M285 WeakPolarHBondContact O-CB 3.34Å; Q281-M285 WeakPolarHBondContact O-CG 3.45Å; Q281-M285 PolarHBondContact O-N 2.87Å; E283-M285 PolarHBondContact O-N 3.35Å; M285-S288 WeakPolarHBondContact CA-OG 3.33Å; M285-S288 PolarHBondContact O-OG 3.09Å; M285-Q289 WeakPolarHBondContact O-CG 3.33Å; M285-Q289 PolarHBondContact O-N 3.49Å |
| 286 | S | 53.1 | Low | 51.8 | Low | 62 Ų | 62 | 120.3 Ų | 120.3 | 43% | 0.434 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -81.8 | -29 | 177.7 | 76.2 | 0 | 0 | 0 | 0 | 113.5 | L282 E283 Q284 | L282-S286 WeakPolarHBondContact O-CB 3.3Å; L282-S286 PolarHBondContact O-N 3.12Å; L282-S286 VanDerWaalsContact O-N 3.08Å; L282-S286 PolarHBondContact O-OG 3Å; E283-S286 PolarHBondContact O-N 3.31Å; E283-S286 PolarHBondContact O-OG 3.1Å; Q284-S286 VanDerWaalsContact C-N 3.32Å |
| 287 | E | 52.8 | Low | 50.6 | Low | 128 Ų | 128 | 122.2 Ų | 122.2 | 60% | 0.598 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -77.9 | -42.4 | 174.5 | -73.9 | -178.3 | 155.9 | 0 | 0 | 111.7 | E283 Q289 K290 E291 | E283-E287 PolarHBondContact O-N 3.4Å; E287-Q289 VanDerWaalsContact C-N 3.27Å; E287-Q289 PolarHBondContact O-N 3.21Å; E287-K290 PolarHBondContact O-N 3.43Å; E287-E291 PolarHBondContact O-N 3.45Å; E287-E291 VanDerWaalsContact O-N 3.15Å |
| 288 | S | 50.2 | Low | 49.9 | Very low | 57 Ų | 57 | 124.2 Ų | 124.2 | 40% | 0.399 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.8 | -29.8 | 175.8 | 47.2 | 0 | 0 | 0 | 0 | 113.7 | Q284 M285 K290 D292 | Q284-S288 WeakPolarHBondContact O-CB 3.48Å; Q284-S288 PolarHBondContact O-N 2.77Å; Q284-S288 VanDerWaalsContact O-N 3.09Å; Q284-S288 PolarHBondContact O-OG 2.99Å; M285-S288 WeakPolarHBondContact CA-OG 3.33Å; M285-S288 PolarHBondContact O-OG 3.09Å; S288-K290 VanDerWaalsContact C-N 3.3Å; S288-K290 PolarHBondContact O-N 3.01Å; S288-D292 PolarHBondContact O-N 3.1Å |
| 289 | Q | 49.9 | Very low | 49.8 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 63% | 0.626 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.8 | -12.6 | 173.3 | -74 | -175.4 | 3.7 | 0 | 0 | 114.4 | M285 E287 | M285-Q289 WeakPolarHBondContact O-CG 3.33Å; M285-Q289 PolarHBondContact O-N 3.49Å; E287-Q289 VanDerWaalsContact C-N 3.27Å; E287-Q289 PolarHBondContact O-N 3.21Å |
| 290 | K | 53 | Low | 49.8 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 71% | 0.709 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -91.6 | -34.7 | 173.6 | -78.7 | 179.8 | 178.6 | 174 | 0 | 112.1 | E287 S288 D292 K293 | E287-K290 PolarHBondContact O-N 3.43Å; S288-K290 VanDerWaalsContact C-N 3.3Å; S288-K290 PolarHBondContact O-N 3.01Å; K290-D292 VanDerWaalsContact C-N 3.34Å; K290-K293 PolarHBondContact O-N 2.78Å |
| 291 | E | 50.5 | Low | 49.9 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 72% | 0.715 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.7 | -28.2 | 176.7 | -73.3 | -175.2 | 155.8 | 0 | 0 | 112.9 | E287 K293 | E287-E291 PolarHBondContact O-N 3.45Å; E287-E291 VanDerWaalsContact O-N 3.15Å; E291-K293 PolarHBondContact O-N 3.17Å |
| 292 | D | 49.8 | Very low | 50.2 | Low | 149 Ų | 149 | 136.3 Ų | 136.3 | 80% | 0.797 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 8.2 | 174.6 | -81.8 | -21.9 | 0 | 0 | 0 | 114.3 | S288 K290 | S288-D292 PolarHBondContact O-N 3.1Å; K290-D292 VanDerWaalsContact C-N 3.34Å |
| 293 | K | 49 | Very low | 50.2 | Low | 187 Ų | 187 | 137.8 Ų | 137.8 | 81% | 0.813 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | 6.6 | -179.6 | -81 | -171.5 | 177 | 178.7 | 0 | 115.3 | K290 E291 | K290-K293 PolarHBondContact O-N 2.78Å; E291-K293 PolarHBondContact O-N 3.17Å |
| 294 | E | 41 | Very low | 50 | Low | 248 Ų | 248 | 139.1 Ų | 139.1 | 100% | 1.159 | 68% | 0.677 | S | S | * | * | trans | -107 | 0 | 164.5 | -82.4 | -172.5 | 153.3 | 0 | 0 | 111.2 |
Retrieved 294 of 294 residues in 189.7 ms
(Link to these results)