| 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 | 84.1 | Confident | 89.4 | Confident | 168 Ų | 168 | 54.6 Ų | 54.6 | 83% | 0.828 | 28% | 0.284 | S | S | * | . | 0 | 118.9 | 0 | 178.9 | -176.2 | -79.4 | 0 | 0 | 106.3 | L184 C188 | M1-L184 HydrophobicContact SD-CD1 3.96Å; M1-C188 HydrophobicContact CG-CB 3.81Å; M1-C188 VanDerWaalsContact CG-SG 3.51Å; M1-C188 HydrophobicContact SD-CB 4.21Å; M1-C188 PolarHBondContact SD-SG 3.09Å | |||
| 2 | K | 93.8 | Very high | 88.4 | Confident | 54 Ų | 54 | 55.2 Ų | 55.2 | 24% | 0.235 | 28% | 0.284 | C | S | . | . | trans | -102 | 125.3 | 179.4 | -170.7 | -177.1 | -63.9 | -178.7 | 0 | 108.2 | E6 F7 E10 C188 L189 | K2-E6 WeakPolarHBondContact CA-OE2 3.38Å; K2-E6 HydrophobicContact CG-CB 3.93Å; K2-F7 HydrophobicContact CD-CB 3.88Å; K2-F7 HydrophobicContact CD-CD2 3.87Å; K2-F7 HydrophobicContact CD-CG 4.39Å; K2-F7 HydrophobicContact CG-CB 4.24Å; K2-E10 WeakPolarHBondContact CD-OE2 3.21Å; K2-E10 WeakPolarHBondContact CE-OE2 3.43Å; K2-E10 IonicContact NZ-OE1 3.59Å; K2-E10 PolarHBondContact NZ-OE1 3.42Å; K2-E10 IonicContact NZ-OE2 2.8Å; K2-E10 PolarHBondContact NZ-OE2 2.92Å; K2-C188 WeakPolarHBondContact O-CA 3.32Å; K2-L189 HydrophobicContact CB-CB 4.29Å; K2-L189 HydrophobicContact CB-CD2 4.33Å; K2-L189 HydrophobicContact CD-CD2 4.07Å; K2-L189 WeakPolarHBondContact O-CB 3.17Å; K2-L189 PolarHBondContact O-N 2.58Å | ||
| 3 | T | 94.5 | Very high | 87 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 22% | 0.221 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -79.9 | 160.2 | 177.8 | 65.7 | 0 | 0 | 0 | 0 | 110.9 | G5 E6 F7 V186 F187 | T3-G5 PolarHBondContact O-N 2.75Å; T3-E6 PolarHBondContact N-OE2 3.33Å; T3-E6 PolarHBondContact O-N 2.59Å; T3-E6 WeakPolarHBondContact OG1-CG 3.42Å; T3-E6 PolarHBondContact OG1-N 2.85Å; T3-E6 PolarHBondContact OG1-OE2 2.8Å; T3-E6 VanDerWaalsContact OG1-OE2 3.09Å; T3-F7 WeakPolarHBondContact O-CB 3.36Å; T3-F7 PolarHBondContact O-N 3.4Å; T3-V186 HydrophobicContact CG2-CB 4.42Å; T3-V186 HydrophobicContact CG2-CG2 4.35Å; T3-F187 CarbonylContact C-O 3.36Å; T3-F187 WeakPolarHBondContact CA-O 3.47Å |
| 4 | L | 93.2 | Very high | 85.6 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.2 | -38.4 | 172.4 | 178.4 | 58.1 | 0 | 0 | 0 | 112.2 | I8 K30 L167 Y169 F178 F187 | L4-I8 HydrophobicContact CD1-CD1 3.69Å; L4-I8 HydrophobicContact CD1-CG1 3.93Å; L4-I8 HydrophobicContact CG-CD1 3.79Å; L4-I8 HydrophobicContact CG-CG1 4.44Å; L4-I8 WeakPolarHBondContact O-CD1 3.46Å; L4-I8 WeakPolarHBondContact O-CG1 3.31Å; L4-I8 PolarHBondContact O-N 3.47Å; L4-K30 HydrophobicContact CD2-CB 4.33Å; L4-K30 HydrophobicContact CD2-CD 4.05Å; L4-K30 HydrophobicContact CD2-CG 4.29Å; L4-L167 HydrophobicContact CD2-CD1 4.07Å; L4-L167 HydrophobicContact CD2-CD2 4.38Å; L4-Y169 HydrophobicContact CD1-CD1 4.43Å; L4-Y169 HydrophobicContact CD1-CE1 3.57Å; L4-F178 HydrophobicContact CB-CD1 3.83Å; L4-F178 HydrophobicContact CB-CE1 4Å; L4-F178 HydrophobicContact CB-CG 4.39Å; L4-F178 HydrophobicContact CD1-CD1 4.08Å; L4-F178 HydrophobicContact CD1-CD2 4.05Å; L4-F178 HydrophobicContact CD1-CE1 3.77Å; L4-F178 HydrophobicContact CD1-CE2 3.77Å; L4-F178 HydrophobicContact CD1-CG 4.24Å; L4-F178 HydrophobicContact CD1-CZ 3.61Å; L4-F187 HydrophobicContact CB-CB 4.12Å; L4-F187 PolarHBondContact N-O 3.29Å |
| 5 | G | 90 | Very high | 84.1 | Confident | 24 Ų | 24 | 67.3 Ų | 67.3 | 25% | 0.247 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64 | -48.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T3 F7 I8 V9 | T3-G5 PolarHBondContact O-N 2.75Å; G5-F7 PolarHBondContact O-N 3.01Å; G5-I8 PolarHBondContact O-N 3.4Å; G5-V9 WeakPolarHBondContact O-CG2 3.49Å; G5-V9 PolarHBondContact O-N 2.97Å; G5-V9 VanDerWaalsContact O-N 3.11Å |
| 6 | E | 91.4 | Very high | 82.2 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 177 | -69.9 | 163.5 | 155.6 | 0 | 0 | 111.6 | K2 T3 V9 E10 | K2-E6 WeakPolarHBondContact CA-OE2 3.38Å; K2-E6 HydrophobicContact CG-CB 3.93Å; T3-E6 PolarHBondContact N-OE2 3.33Å; T3-E6 PolarHBondContact O-N 2.59Å; T3-E6 WeakPolarHBondContact OG1-CG 3.42Å; T3-E6 PolarHBondContact OG1-N 2.85Å; T3-E6 PolarHBondContact OG1-OE2 2.8Å; T3-E6 VanDerWaalsContact OG1-OE2 3.09Å; E6-V9 PolarHBondContact O-N 3.28Å; E6-E10 WeakPolarHBondContact O-CB 3.46Å; E6-E10 PolarHBondContact O-N 3.11Å |
| 7 | F | 91.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 178.9 | -177.6 | -96.3 | 0 | 0 | 0 | 112.4 | K2 T3 G5 E10 K11 H176 F178 L189 E192 | K2-F7 HydrophobicContact CD-CB 3.88Å; K2-F7 HydrophobicContact CD-CD2 3.87Å; K2-F7 HydrophobicContact CD-CG 4.39Å; K2-F7 HydrophobicContact CG-CB 4.24Å; T3-F7 WeakPolarHBondContact O-CB 3.36Å; T3-F7 PolarHBondContact O-N 3.4Å; G5-F7 PolarHBondContact O-N 3.01Å; F7-E10 PolarHBondContact O-N 2.64Å; F7-K11 HydrophobicContact CD1-CG 4.12Å; F7-K11 HydrophobicContact CD2-CG 4.46Å; F7-K11 HydrophobicContact CE1-CG 3.78Å; F7-K11 HydrophobicContact CE2-CG 4.14Å; F7-K11 HydrophobicContact CG-CG 4.48Å; F7-K11 HydrophobicContact CZ-CD 4.29Å; F7-K11 HydrophobicContact CZ-CG 3.79Å; F7-K11 WeakPolarHBondContact O-CB 3.36Å; F7-K11 VanDerWaalsContact O-CG 3.31Å; F7-K11 WeakPolarHBondContact O-CG 3.48Å; F7-K11 PolarHBondContact O-N 3.5Å; F7-H176 HydrophobicContact CE1-CB 4.16Å; F7-H176 AromaticContact CE1-CD2 3.86Å; F7-H176 AromaticContact CE1-CG 3.84Å; F7-H176 HydrophobicContact CZ-CB 4.2Å; F7-H176 AromaticContact CZ-CD2 3.86Å; F7-H176 AromaticContact CZ-CE1 3.87Å; F7-H176 AromaticContact CZ-CG 3.61Å; F7-H176 AromaticContact CZ-ND1 3.64Å; F7-F178 HydrophobicContact CB-CE1 3.94Å; F7-F178 HydrophobicContact CB-CZ 4.04Å; F7-F178 HydrophobicContact CD1-CE1 4.32Å; F7-F178 HydrophobicContact CD1-CE2 4.5Å; F7-F178 AromaticContact CD1-CZ 3.55Å; F7-F178 HydrophobicContact CD1-CZ 3.55Å; F7-F178 HydrophobicContact CE1-CZ 4.07Å; F7-F178 HydrophobicContact CG-CE1 4.16Å; F7-F178 AromaticContact CG-CZ 3.8Å; F7-F178 HydrophobicContact CG-CZ 3.8Å; F7-L189 HydrophobicContact CD2-CD1 4.38Å; F7-L189 HydrophobicContact CD2-CD2 3.8Å; F7-L189 HydrophobicContact CE2-CD1 4.4Å; F7-L189 HydrophobicContact CE2-CD2 4.12Å; F7-E192 HydrophobicContact CE2-CG 4.13Å |
| 8 | I | 88 | Confident | 79.1 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 6% | 0.062 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 178.5 | -65.5 | 163.3 | 0 | 0 | 0 | 110.6 | L4 G5 E10 K11 Q12 T23 L26 | L4-I8 HydrophobicContact CD1-CD1 3.69Å; L4-I8 HydrophobicContact CD1-CG1 3.93Å; L4-I8 HydrophobicContact CG-CD1 3.79Å; L4-I8 HydrophobicContact CG-CG1 4.44Å; L4-I8 WeakPolarHBondContact O-CD1 3.46Å; L4-I8 WeakPolarHBondContact O-CG1 3.31Å; L4-I8 PolarHBondContact O-N 3.47Å; G5-I8 PolarHBondContact O-N 3.4Å; I8-E10 VanDerWaalsContact C-N 3.34Å; I8-E10 PolarHBondContact O-N 3Å; I8-K11 CarbonylContact O-C 3.45Å; I8-K11 PolarHBondContact O-N 3.24Å; I8-Q12 WeakPolarHBondContact O-CB 3.1Å; I8-Q12 PolarHBondContact O-N 3.22Å; I8-T23 HydrophobicContact CB-CG2 4.14Å; I8-T23 HydrophobicContact CD1-CG2 4.47Å; I8-T23 HydrophobicContact CG2-CG2 3.53Å; I8-T23 WeakPolarHBondContact CG2-OG1 3.31Å; I8-L26 HydrophobicContact CD1-CB 3.92Å; I8-L26 HydrophobicContact CD1-CD1 3.76Å; I8-L26 HydrophobicContact CG1-CD1 4.23Å |
| 9 | V | 86.1 | Confident | 78.4 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 47% | 0.467 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 178.2 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | G5 E6 K11 Q12 | G5-V9 WeakPolarHBondContact O-CG2 3.49Å; G5-V9 PolarHBondContact O-N 2.97Å; G5-V9 VanDerWaalsContact O-N 3.11Å; E6-V9 PolarHBondContact O-N 3.28Å; V9-K11 VanDerWaalsContact C-N 3.34Å; V9-K11 PolarHBondContact O-N 3.45Å; V9-Q12 WeakPolarHBondContact O-CB 3.49Å; V9-Q12 PolarHBondContact O-N 3.37Å |
| 10 | E | 86.5 | Confident | 78.4 | Confident | 94 Ų | 94 | 70.6 Ų | 70.6 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 175.9 | -176 | -178.9 | 153.6 | 0 | 0 | 111.9 | K2 E6 F7 I8 | K2-E10 WeakPolarHBondContact CD-OE2 3.21Å; K2-E10 WeakPolarHBondContact CE-OE2 3.43Å; K2-E10 IonicContact NZ-OE1 3.59Å; K2-E10 PolarHBondContact NZ-OE1 3.42Å; K2-E10 IonicContact NZ-OE2 2.8Å; K2-E10 PolarHBondContact NZ-OE2 2.92Å; E6-E10 WeakPolarHBondContact O-CB 3.46Å; E6-E10 PolarHBondContact O-N 3.11Å; F7-E10 PolarHBondContact O-N 2.64Å; I8-E10 VanDerWaalsContact C-N 3.34Å; I8-E10 PolarHBondContact O-N 3Å |
| 11 | K | 84.3 | Confident | 78.8 | Confident | 29 Ų | 29 | 69.5 Ų | 69.5 | 13% | 0.126 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -76.4 | -19.1 | 178.8 | -67.4 | -66.7 | 173.3 | -171.8 | 0 | 114.2 | F7 I8 V9 H13 E14 F15 | F7-K11 HydrophobicContact CD1-CG 4.12Å; F7-K11 HydrophobicContact CD2-CG 4.46Å; F7-K11 HydrophobicContact CE1-CG 3.78Å; F7-K11 HydrophobicContact CE2-CG 4.14Å; F7-K11 HydrophobicContact CG-CG 4.48Å; F7-K11 HydrophobicContact CZ-CD 4.29Å; F7-K11 HydrophobicContact CZ-CG 3.79Å; F7-K11 WeakPolarHBondContact O-CB 3.36Å; F7-K11 VanDerWaalsContact O-CG 3.31Å; F7-K11 WeakPolarHBondContact O-CG 3.48Å; F7-K11 PolarHBondContact O-N 3.5Å; I8-K11 CarbonylContact O-C 3.45Å; I8-K11 PolarHBondContact O-N 3.24Å; V9-K11 VanDerWaalsContact C-N 3.34Å; V9-K11 PolarHBondContact O-N 3.45Å; K11-H13 PolarHBondContact O-N 2.82Å; K11-E14 VanDerWaalsContact CD-CD 3.49Å; K11-E14 HydrophobicContact CD-CG 4.45Å; K11-E14 WeakPolarHBondContact CD-OE1 3.36Å; K11-E14 WeakPolarHBondContact CD-OE2 3.42Å; K11-E14 IonicContact NZ-OE1 3.12Å; K11-E14 PolarHBondContact NZ-OE1 2.84Å; K11-E14 IonicContact NZ-OE2 3.86Å; K11-E14 PolarHBondContact NZ-OE2 2.85Å; K11-E14 WeakPolarHBondContact O-CB 3.39Å; K11-E14 PolarHBondContact O-N 2.88Å; K11-F15 WeakPolarHBondContact O-CD2 3.38Å |
| 12 | Q | 77.5 | Confident | 78.8 | Confident | 61 Ų | 61 | 63 Ų | 63 | 29% | 0.285 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.8 | -32.5 | 176.9 | -168.9 | 174.7 | -9.6 | 0 | 0 | 111.5 | I8 V9 E14 F15 A18 | I8-Q12 WeakPolarHBondContact O-CB 3.1Å; I8-Q12 PolarHBondContact O-N 3.22Å; V9-Q12 WeakPolarHBondContact O-CB 3.49Å; V9-Q12 PolarHBondContact O-N 3.37Å; Q12-E14 PolarHBondContact O-N 3.25Å; Q12-F15 PolarHBondContact O-N 3.36Å; Q12-F15 VanDerWaalsContact O-N 3.15Å; Q12-A18 HydrophobicContact CG-CB 3.87Å; Q12-A18 PolarHBondContact NE2-O 3.15Å |
| 13 | H | 70.3 | Confident | 78.5 | Confident | 164 Ų | 164 | 61.7 Ų | 61.7 | 76% | 0.759 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -21.8 | 174.9 | -67.3 | -69 | 0 | 0 | 0 | 113.9 | K11 F15 | K11-H13 PolarHBondContact O-N 2.82Å; H13-F15 VanDerWaalsContact C-N 3.26Å; H13-F15 PolarHBondContact O-N 2.74Å |
| 14 | E | 66.6 | Low | 78.3 | Confident | 108 Ų | 108 | 61.5 Ų | 61.5 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -12.2 | 177.6 | -60.8 | -178.5 | 179.4 | 0 | 0 | 112.3 | K11 Q12 | K11-E14 VanDerWaalsContact CD-CD 3.49Å; K11-E14 HydrophobicContact CD-CG 4.45Å; K11-E14 WeakPolarHBondContact CD-OE1 3.36Å; K11-E14 WeakPolarHBondContact CD-OE2 3.42Å; K11-E14 IonicContact NZ-OE1 3.12Å; K11-E14 PolarHBondContact NZ-OE1 2.84Å; K11-E14 IonicContact NZ-OE2 3.86Å; K11-E14 PolarHBondContact NZ-OE2 2.85Å; K11-E14 WeakPolarHBondContact O-CB 3.39Å; K11-E14 PolarHBondContact O-N 2.88Å; Q12-E14 PolarHBondContact O-N 3.25Å |
| 15 | F | 64.2 | Low | 78.3 | Confident | 75 Ų | 75 | 61.4 Ų | 61.4 | 33% | 0.329 | 34% | 0.337 | S | S | . | . | trans | -120.1 | 104.4 | -177.7 | -63.7 | -83.1 | 0 | 0 | 0 | 111.4 | K11 Q12 H13 H17 A18 C173 | K11-F15 WeakPolarHBondContact O-CD2 3.38Å; Q12-F15 PolarHBondContact O-N 3.36Å; Q12-F15 VanDerWaalsContact O-N 3.15Å; H13-F15 VanDerWaalsContact C-N 3.26Å; H13-F15 PolarHBondContact O-N 2.74Å; F15-H17 PolarHBondContact O-N 3.46Å; F15-A18 HydrophobicContact CB-CB 3.56Å; F15-A18 HydrophobicContact CG-CB 4.5Å; F15-A18 PolarHBondContact O-N 3.33Å; F15-C173 HydrophobicContact CZ-CB 4.1Å; F15-C173 VanDerWaalsContact CZ-SG 3.56Å | ||
| 16 | S | 52.4 | Low | 78.4 | Confident | 112 Ų | 112 | 60.4 Ų | 60.4 | 78% | 0.783 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -22.1 | 177.8 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 17 | H | 53.3 | Low | 78.4 | Confident | 160 Ų | 160 | 56.4 Ų | 56.4 | 74% | 0.741 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 4 | -178.6 | -57.7 | -63.2 | 0 | 0 | 0 | 114.1 | F15 T19 | F15-H17 PolarHBondContact O-N 3.46Å; H17-T19 PolarHBondContact O-N 3.26Å |
| 18 | A | 56.7 | Low | 78.6 | Confident | 34 Ų | 34 | 56.4 Ų | 56.4 | 28% | 0.281 | 31% | 0.31 | S | S | . | . | trans | -75.3 | 94.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q12 F15 | Q12-A18 HydrophobicContact CG-CB 3.87Å; Q12-A18 PolarHBondContact NE2-O 3.15Å; F15-A18 HydrophobicContact CB-CB 3.56Å; F15-A18 HydrophobicContact CG-CB 4.5Å; F15-A18 PolarHBondContact O-N 3.33Å | ||
| 19 | T | 64.8 | Low | 79 | Confident | 57 Ų | 57 | 56 Ų | 56 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | trans | -59.2 | 144.9 | 155.4 | 51.2 | 0 | 0 | 0 | 0 | 108.4 | H17 E21 | H17-T19 PolarHBondContact O-N 3.26Å; T19-E21 WeakPolarHBondContact CB-OE2 3.38Å; T19-E21 PolarHBondContact O-N 2.97Å; T19-E21 PolarHBondContact OG1-OE2 3.24Å | ||
| 20 | G | 78.8 | Confident | 79.4 | Confident | 40 Ų | 40 | 54.9 Ų | 54.9 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 4.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T23 A24 | G20-T23 WeakPolarHBondContact O-CB 3.32Å; G20-T23 PolarHBondContact O-N 2.98Å; G20-A24 PolarHBondContact O-N 2.98Å; G20-A24 VanDerWaalsContact O-N 3.11Å |
| 21 | E | 86.8 | Confident | 79.9 | Confident | 47 Ų | 47 | 53.9 Ų | 53.9 | 22% | 0.22 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -49.9 | 177.3 | -64.9 | 166.9 | 161.4 | 0 | 0 | 110.8 | T19 T23 A24 L25 I82 K104 Y105 | T19-E21 WeakPolarHBondContact CB-OE2 3.38Å; T19-E21 PolarHBondContact O-N 2.97Å; T19-E21 PolarHBondContact OG1-OE2 3.24Å; E21-T23 PolarHBondContact O-N 3.42Å; E21-A24 WeakPolarHBondContact O-CB 3.37Å; E21-A24 PolarHBondContact O-N 3.04Å; E21-L25 PolarHBondContact O-N 2.84Å; E21-I82 HydrophobicContact CB-CG2 4.32Å; E21-I82 HydrophobicContact CG-CG2 4.1Å; E21-I82 WeakPolarHBondContact O-CD1 3.45Å; E21-K104 VanDerWaalsContact CD-NZ 3.3Å; E21-K104 IonicContact OE1-NZ 2.64Å; E21-K104 PolarHBondContact OE1-NZ 3.05Å; E21-K104 IonicContact OE2-NZ 3.01Å; E21-K104 PolarHBondContact OE2-NZ 3.04Å; E21-Y105 HydrophobicContact CB-CE2 3.89Å |
| 22 | L | 84.5 | Confident | 80.5 | Confident | 33 Ų | 33 | 52.5 Ų | 52.5 | 17% | 0.173 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -35.4 | 179.3 | -175.8 | 61.4 | 0 | 0 | 0 | 112 | L25 L26 I130 A155 T171 | L22-L25 WeakPolarHBondContact O-CB 3.44Å; L22-L25 PolarHBondContact O-N 2.97Å; L22-L26 PolarHBondContact O-N 3.23Å; L22-I130 HydrophobicContact CD1-CD1 4.18Å; L22-I130 HydrophobicContact CD1-CG2 4.42Å; L22-A155 HydrophobicContact CD1-CB 4.28Å; L22-T171 HydrophobicContact CD2-CG2 4.05Å |
| 23 | T | 87.6 | Confident | 81.4 | Confident | 26 Ų | 26 | 49.6 Ų | 49.6 | 16% | 0.16 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 173.9 | -51.6 | 0 | 0 | 0 | 0 | 112 | I8 G20 E21 L25 S27 | I8-T23 HydrophobicContact CB-CG2 4.14Å; I8-T23 HydrophobicContact CD1-CG2 4.47Å; I8-T23 HydrophobicContact CG2-CG2 3.53Å; I8-T23 WeakPolarHBondContact CG2-OG1 3.31Å; G20-T23 WeakPolarHBondContact O-CB 3.32Å; G20-T23 PolarHBondContact O-N 2.98Å; E21-T23 PolarHBondContact O-N 3.42Å; T23-L25 VanDerWaalsContact C-N 3.34Å; T23-S27 VanDerWaalsContact O-CB 3.32Å; T23-S27 WeakPolarHBondContact O-CB 3.42Å; T23-S27 PolarHBondContact O-N 2.67Å; T23-S27 PolarHBondContact O-OG 3.11Å |
| 24 | A | 90.2 | Very high | 82.6 | Confident | 31 Ų | 31 | 44.7 Ų | 44.7 | 26% | 0.256 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.6 | -34.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | G20 E21 S27 A28 I82 | G20-A24 PolarHBondContact O-N 2.98Å; G20-A24 VanDerWaalsContact O-N 3.11Å; E21-A24 WeakPolarHBondContact O-CB 3.37Å; E21-A24 PolarHBondContact O-N 3.04Å; A24-S27 WeakPolarHBondContact O-CB 3.43Å; A24-S27 PolarHBondContact O-N 2.81Å; A24-A28 PolarHBondContact O-N 3.25Å; A24-I82 HydrophobicContact CB-CD1 3.59Å |
| 25 | L | 92.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.9 | -52 | 176.7 | -164.6 | 168.1 | 0 | 0 | 0 | 111 | E21 L22 T23 S27 A28 I29 L77 I82 V83 Y105 V107 I130 | E21-L25 PolarHBondContact O-N 2.84Å; L22-L25 WeakPolarHBondContact O-CB 3.44Å; L22-L25 PolarHBondContact O-N 2.97Å; T23-L25 VanDerWaalsContact C-N 3.34Å; L25-S27 PolarHBondContact O-N 2.95Å; L25-A28 WeakPolarHBondContact O-CA 3.35Å; L25-A28 WeakPolarHBondContact O-CB 3.1Å; L25-A28 PolarHBondContact O-N 3.38Å; L25-I29 HydrophobicContact CD2-CD1 3.52Å; L25-I29 HydrophobicContact CD2-CG1 4.12Å; L25-I29 PolarHBondContact O-N 3.25Å; L25-I29 VanDerWaalsContact O-N 3.07Å; L25-L77 HydrophobicContact CD2-CD2 4.15Å; L25-L77 HydrophobicContact CG-CD2 4.37Å; L25-I82 HydrophobicContact CB-CD1 3.79Å; L25-I82 VanDerWaalsContact N-CD1 3.34Å; L25-V83 HydrophobicContact CD1-CG2 3.78Å; L25-V83 HydrophobicContact CG-CG2 3.9Å; L25-Y105 HydrophobicContact CD1-CG 4.25Å; L25-V107 HydrophobicContact CD1-CG2 3.99Å; L25-V107 HydrophobicContact CD2-CG2 4.14Å; L25-V107 HydrophobicContact CG-CG2 4.34Å; L25-I130 HydrophobicContact CD1-CD1 4.24Å; L25-I130 HydrophobicContact CD1-CG1 4.4Å; L25-I130 HydrophobicContact CD1-CG2 3.71Å; L25-I130 HydrophobicContact CD2-CD1 3.37Å; L25-I130 HydrophobicContact CD2-CG1 3.96Å; L25-I130 HydrophobicContact CG-CD1 4.41Å |
| 26 | L | 92.5 | Very high | 85.4 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.6 | -32.8 | 174.2 | -69.5 | 174.2 | 0 | 0 | 0 | 111.7 | I8 L22 I29 K30 F128 I130 Y169 | I8-L26 HydrophobicContact CD1-CB 3.92Å; I8-L26 HydrophobicContact CD1-CD1 3.76Å; I8-L26 HydrophobicContact CG1-CD1 4.23Å; L22-L26 PolarHBondContact O-N 3.23Å; L26-I29 PolarHBondContact O-N 3.4Å; L26-K30 VanDerWaalsContact O-CB 3.29Å; L26-K30 WeakPolarHBondContact O-CB 3.43Å; L26-K30 PolarHBondContact O-N 3.01Å; L26-F128 HydrophobicContact CD2-CE2 4.16Å; L26-F128 HydrophobicContact CD2-CZ 4.36Å; L26-I130 HydrophobicContact CD2-CD1 4.35Å; L26-Y169 HydrophobicContact CD1-CD2 4.23Å; L26-Y169 HydrophobicContact CD1-CE2 3.82Å; L26-Y169 HydrophobicContact CD2-CD2 4.38Å |
| 27 | S | 92.6 | Very high | 87.4 | Confident | 22 Ų | 22 | 33.6 Ų | 33.6 | 15% | 0.154 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.8 | -27.9 | 174.1 | -67 | 0 | 0 | 0 | 0 | 113.9 | T23 A24 L25 L31 | T23-S27 VanDerWaalsContact O-CB 3.32Å; T23-S27 WeakPolarHBondContact O-CB 3.42Å; T23-S27 PolarHBondContact O-N 2.67Å; T23-S27 PolarHBondContact O-OG 3.11Å; A24-S27 WeakPolarHBondContact O-CB 3.43Å; A24-S27 PolarHBondContact O-N 2.81Å; L25-S27 PolarHBondContact O-N 2.95Å; S27-L31 PolarHBondContact O-N 3.03Å |
| 28 | A | 95.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.6 | -45.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A24 L25 K30 L31 G32 A76 L77 R80 | A24-A28 PolarHBondContact O-N 3.25Å; L25-A28 WeakPolarHBondContact O-CA 3.35Å; L25-A28 WeakPolarHBondContact O-CB 3.1Å; L25-A28 PolarHBondContact O-N 3.38Å; A28-K30 VanDerWaalsContact C-N 3.29Å; A28-K30 PolarHBondContact O-N 3.32Å; A28-L31 WeakPolarHBondContact O-CA 2.97Å; A28-L31 WeakPolarHBondContact O-CB 3.47Å; A28-L31 PolarHBondContact O-N 3.41Å; A28-G32 PolarHBondContact O-N 2.86Å; A28-A76 HydrophobicContact CB-CB 4.37Å; A28-A76 VanDerWaalsContact CB-O 3.26Å; A28-A76 WeakPolarHBondContact CB-O 3.47Å; A28-L77 HydrophobicContact CB-CD2 4.05Å; A28-R80 HydrophobicContact CB-CG 3.52Å |
| 29 | I | 96.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.4 | -45.6 | 175.9 | -65.4 | 171.4 | 0 | 0 | 0 | 110 | L25 L26 L31 G32 A33 L77 F128 I130 | L25-I29 HydrophobicContact CD2-CD1 3.52Å; L25-I29 HydrophobicContact CD2-CG1 4.12Å; L25-I29 PolarHBondContact O-N 3.25Å; L25-I29 VanDerWaalsContact O-N 3.07Å; L26-I29 PolarHBondContact O-N 3.4Å; I29-L31 VanDerWaalsContact C-N 3.27Å; I29-L31 PolarHBondContact O-N 3.29Å; I29-G32 PolarHBondContact O-N 2.85Å; I29-A33 VanDerWaalsContact O-CB 3.32Å; I29-A33 WeakPolarHBondContact O-CB 3.46Å; I29-A33 PolarHBondContact O-N 3.25Å; I29-L77 HydrophobicContact CG1-CD2 4.13Å; I29-F128 HydrophobicContact CD1-CB 4.3Å; I29-F128 HydrophobicContact CD1-CD1 4.22Å; I29-F128 HydrophobicContact CD1-CD2 3.47Å; I29-F128 VanDerWaalsContact CD1-CD2 3.47Å; I29-F128 HydrophobicContact CD1-CE1 4.42Å; I29-F128 HydrophobicContact CD1-CE2 3.71Å; I29-F128 HydrophobicContact CD1-CG 3.73Å; I29-F128 HydrophobicContact CD1-CZ 4.18Å; I29-F128 HydrophobicContact CG2-CD1 3.86Å; I29-F128 HydrophobicContact CG2-CE1 3.79Å; I29-F128 HydrophobicContact CG2-CG 4.42Å; I29-F128 HydrophobicContact CG2-CZ 4.29Å; I29-I130 HydrophobicContact CD1-CD1 4.17Å |
| 30 | K | 95.3 | Very high | 91.9 | Very high | 53 Ų | 53 | 29.6 Ų | 29.6 | 23% | 0.23 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -52.9 | -42.4 | 172.2 | -175.8 | -170.2 | 70.5 | -167.4 | 0 | 112.6 | L4 L26 A28 K34 F187 | L4-K30 HydrophobicContact CD2-CB 4.33Å; L4-K30 HydrophobicContact CD2-CD 4.05Å; L4-K30 HydrophobicContact CD2-CG 4.29Å; L26-K30 VanDerWaalsContact O-CB 3.29Å; L26-K30 WeakPolarHBondContact O-CB 3.43Å; L26-K30 PolarHBondContact O-N 3.01Å; A28-K30 VanDerWaalsContact C-N 3.29Å; A28-K30 PolarHBondContact O-N 3.32Å; K30-K34 VanDerWaalsContact O-CG 3.3Å; K30-K34 WeakPolarHBondContact O-CG 3.32Å; K30-K34 PolarHBondContact O-N 3.03Å; K30-K34 VanDerWaalsContact O-N 3.17Å; K30-F187 HydrophobicContact CD-CD2 4.18Å; K30-F187 HydrophobicContact CG-CD2 3.49Å; K30-F187 VanDerWaalsContact CG-CD2 3.49Å; K30-F187 HydrophobicContact CG-CE2 3.84Å; K30-F187 HydrophobicContact CG-CG 4.47Å |
| 31 | L | 95.9 | Very high | 92.3 | Very high | 72 Ų | 72 | 32.8 Ų | 32.8 | 38% | 0.377 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -68.1 | -46.8 | 178.8 | 177.9 | 60.7 | 0 | 0 | 0 | 111.3 | S27 A28 I29 A33 K34 I35 | S27-L31 PolarHBondContact O-N 3.03Å; A28-L31 WeakPolarHBondContact O-CA 2.97Å; A28-L31 WeakPolarHBondContact O-CB 3.47Å; A28-L31 PolarHBondContact O-N 3.41Å; I29-L31 VanDerWaalsContact C-N 3.27Å; I29-L31 PolarHBondContact O-N 3.29Å; L31-A33 VanDerWaalsContact C-N 3.35Å; L31-A33 PolarHBondContact O-N 3.05Å; L31-K34 PolarHBondContact O-N 3.1Å; L31-I35 HydrophobicContact CD1-CD1 4.35Å; L31-I35 HydrophobicContact CG-CD1 4.26Å; L31-I35 WeakPolarHBondContact O-CG1 3.29Å; L31-I35 PolarHBondContact O-N 3.24Å |
| 32 | G | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.9 | -48.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A28 I29 K34 I35 I36 | A28-G32 PolarHBondContact O-N 2.86Å; I29-G32 PolarHBondContact O-N 2.85Å; G32-K34 VanDerWaalsContact C-N 3.31Å; G32-K34 PolarHBondContact O-N 3.38Å; G32-I35 PolarHBondContact O-N 2.93Å; G32-I36 WeakPolarHBondContact O-CG1 3.47Å; G32-I36 PolarHBondContact O-N 2.98Å |
| 33 | A | 97.1 | Very high | 92 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.1 | -40.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I29 L31 H37 V159 F187 | I29-A33 VanDerWaalsContact O-CB 3.32Å; I29-A33 WeakPolarHBondContact O-CB 3.46Å; I29-A33 PolarHBondContact O-N 3.25Å; L31-A33 VanDerWaalsContact C-N 3.35Å; L31-A33 PolarHBondContact O-N 3.05Å; A33-H37 WeakPolarHBondContact O-CB 3.35Å; A33-H37 PolarHBondContact O-N 2.93Å; A33-V159 HydrophobicContact CB-CB 4.46Å; A33-V159 HydrophobicContact CB-CG1 4.08Å; A33-V159 HydrophobicContact CB-CG2 3.89Å; A33-F187 HydrophobicContact CB-CE2 4.45Å; A33-F187 HydrophobicContact CB-CZ 4.19Å |
| 34 | K | 96 | Very high | 91.4 | Very high | 60 Ų | 60 | 36.3 Ų | 36.3 | 26% | 0.261 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 175.9 | -73.3 | 174.9 | 59.4 | 176.2 | 0 | 112.5 | K30 L31 G32 R38 Y180 G185 F187 | K30-K34 VanDerWaalsContact O-CG 3.3Å; K30-K34 WeakPolarHBondContact O-CG 3.32Å; K30-K34 PolarHBondContact O-N 3.03Å; K30-K34 VanDerWaalsContact O-N 3.17Å; L31-K34 PolarHBondContact O-N 3.1Å; G32-K34 VanDerWaalsContact C-N 3.31Å; G32-K34 PolarHBondContact O-N 3.38Å; K34-R38 WeakPolarHBondContact O-CB 3.38Å; K34-R38 PolarHBondContact O-N 2.92Å; K34-R38 VanDerWaalsContact O-N 3.14Å; K34-Y180 HydrophobicContact CD-CE2 3.82Å; K34-Y180 WeakPolarHBondContact CE-OH 3.3Å; K34-Y180 HydrophobicContact CG-CD2 4.2Å; K34-Y180 HydrophobicContact CG-CE2 3.55Å; K34-G185 WeakPolarHBondContact CE-O 3.42Å; K34-G185 PolarHBondContact NZ-O 3.1Å; K34-F187 HydrophobicContact CG-CE2 4.01Å |
| 35 | I | 94.3 | Very high | 90.8 | Very high | 43 Ų | 43 | 42 Ų | 42 | 22% | 0.221 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.4 | -46.1 | 179.3 | -62.9 | 166.5 | 0 | 0 | 0 | 109.5 | L31 G32 R38 D39 F68 K72 | L31-I35 HydrophobicContact CD1-CD1 4.35Å; L31-I35 HydrophobicContact CG-CD1 4.26Å; L31-I35 WeakPolarHBondContact O-CG1 3.29Å; L31-I35 PolarHBondContact O-N 3.24Å; G32-I35 PolarHBondContact O-N 2.93Å; I35-R38 WeakPolarHBondContact O-CB 3.16Å; I35-R38 PolarHBondContact O-N 3.22Å; I35-D39 PolarHBondContact O-N 3.45Å; I35-F68 HydrophobicContact CG2-CE1 4.32Å; I35-F68 HydrophobicContact CG2-CZ 3.86Å; I35-K72 HydrophobicContact CG2-CB 4.35Å; I35-K72 HydrophobicContact CG2-CD 4.1Å; I35-K72 HydrophobicContact CG2-CG 3.78Å |
| 36 | I | 94.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.8 | -48.9 | 177 | -66.3 | 165.5 | 0 | 0 | 0 | 110.6 | G32 R38 D39 I40 A69 L73 Y161 | G32-I36 WeakPolarHBondContact O-CG1 3.47Å; G32-I36 PolarHBondContact O-N 2.98Å; I36-R38 VanDerWaalsContact C-N 3.31Å; I36-R38 PolarHBondContact O-N 3.2Å; I36-D39 PolarHBondContact O-N 3.29Å; I36-D39 VanDerWaalsContact O-N 3.09Å; I36-I40 HydrophobicContact CG2-CD1 3.45Å; I36-I40 VanDerWaalsContact CG2-CD1 3.45Å; I36-I40 HydrophobicContact CG2-CG1 4.06Å; I36-I40 WeakPolarHBondContact O-CG1 3.48Å; I36-I40 PolarHBondContact O-N 2.82Å; I36-A69 HydrophobicContact CD1-CB 3.75Å; I36-A69 HydrophobicContact CG1-CB 4.02Å; I36-L73 HydrophobicContact CD1-CD1 3.93Å; I36-L73 HydrophobicContact CD1-CD2 4.4Å; I36-L73 HydrophobicContact CD1-CG 3.93Å; I36-Y161 HydrophobicContact CB-CE1 4.2Å; I36-Y161 HydrophobicContact CG2-CD2 4.39Å; I36-Y161 HydrophobicContact CG2-CE1 3.89Å; I36-Y161 HydrophobicContact CG2-CE2 3.71Å; I36-Y161 VanDerWaalsContact CG2-CZ 3.44Å |
| 37 | H | 94.3 | Very high | 88.9 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -51.6 | -47.8 | 174.5 | 164.4 | 91.1 | 0 | 0 | 0 | 112.8 | A33 D39 N41 Y161 T165 Y180 | A33-H37 WeakPolarHBondContact O-CB 3.35Å; A33-H37 PolarHBondContact O-N 2.93Å; H37-D39 PolarHBondContact O-N 3.2Å; H37-N41 PolarHBondContact CE1-ND2 3.2Å; H37-N41 PolarHBondContact ND1-ND2 2.86Å; H37-N41 PolarHBondContact NE2-ND2 3.48Å; H37-N41 VanDerWaalsContact NE2-ND2 3.16Å; H37-N41 WeakPolarHBondContact O-CB 3.17Å; H37-N41 PolarHBondContact O-N 2.93Å; H37-Y161 HydrophobicContact CB-CD1 4.09Å; H37-Y161 HydrophobicContact CB-CE1 4.15Å; H37-T165 HydrophobicContact CB-CG2 4.4Å; H37-T165 PolarHBondContact ND1-OG1 3.02Å; H37-Y180 AromaticContact CD2-CD1 3.88Å; H37-Y180 AromaticContact CD2-CE1 3.54Å; H37-Y180 AromaticContact CE1-CD1 3.89Å; H37-Y180 AromaticContact NE2-CD1 3.76Å; H37-Y180 AromaticContact NE2-CE1 3.59Å |
| 38 | R | 92 | Very high | 87.9 | Confident | 124 Ų | 124 | 51.3 Ų | 51.3 | 47% | 0.468 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59 | -38.6 | -178.5 | -177.8 | -162.4 | 70.1 | -170.7 | -2.6 | 111.1 | K34 I35 I36 K42 | K34-R38 WeakPolarHBondContact O-CB 3.38Å; K34-R38 PolarHBondContact O-N 2.92Å; K34-R38 VanDerWaalsContact O-N 3.14Å; I35-R38 WeakPolarHBondContact O-CB 3.16Å; I35-R38 PolarHBondContact O-N 3.22Å; I36-R38 VanDerWaalsContact C-N 3.31Å; I36-R38 PolarHBondContact O-N 3.2Å; R38-K42 WeakPolarHBondContact O-CG 3.42Å |
| 39 | D | 89.4 | Confident | 87 | Confident | 19 Ų | 19 | 54.1 Ų | 54.1 | 10% | 0.102 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -87.4 | -38.8 | -173.4 | -70.2 | 7.5 | 0 | 0 | 0 | 111.3 | I35 I36 H37 N41 K42 A43 I48 F68 | I35-D39 PolarHBondContact O-N 3.45Å; I36-D39 PolarHBondContact O-N 3.29Å; I36-D39 VanDerWaalsContact O-N 3.09Å; H37-D39 PolarHBondContact O-N 3.2Å; D39-N41 VanDerWaalsContact C-N 3.31Å; D39-N41 PolarHBondContact O-N 2.84Å; D39-K42 CarbonylContact O-C 3.55Å; D39-K42 VanDerWaalsContact O-C 3.31Å; D39-K42 WeakPolarHBondContact O-CA 3.36Å; D39-K42 PolarHBondContact O-N 3.21Å; D39-A43 PolarHBondContact O-N 3.17Å; D39-I48 HydrophobicContact CB-CD1 3.97Å; D39-I48 VanDerWaalsContact O-CD1 3.24Å; D39-I48 WeakPolarHBondContact O-CD1 3.3Å; D39-F68 HydrophobicContact CB-CE1 3.99Å; D39-F68 HydrophobicContact CB-CZ 4.1Å; D39-F68 WeakPolarHBondContact OD2-CE2 3.39Å; D39-F68 WeakPolarHBondContact OD2-CZ 3.21Å |
| 40 | I | 89.3 | Confident | 85.9 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -53.3 | -49.1 | 168.2 | -72.3 | 172.6 | 0 | 0 | 0 | 110.6 | I36 K42 A43 L65 L112 V124 Y161 | I36-I40 HydrophobicContact CG2-CD1 3.45Å; I36-I40 VanDerWaalsContact CG2-CD1 3.45Å; I36-I40 HydrophobicContact CG2-CG1 4.06Å; I36-I40 WeakPolarHBondContact O-CG1 3.48Å; I36-I40 PolarHBondContact O-N 2.82Å; I40-K42 PolarHBondContact O-N 3.24Å; I40-A43 VanDerWaalsContact O-CB 3.3Å; I40-A43 WeakPolarHBondContact O-CB 3.47Å; I40-A43 PolarHBondContact O-N 2.8Å; I40-L65 HydrophobicContact CG1-CD2 3.64Å; I40-L112 HydrophobicContact CD1-CD1 3.97Å; I40-V124 HydrophobicContact CD1-CG2 3.89Å; I40-Y161 HydrophobicContact CD1-CD1 4.09Å; I40-Y161 HydrophobicContact CD1-CD2 3.52Å; I40-Y161 HydrophobicContact CD1-CE2 4.05Å; I40-Y161 HydrophobicContact CD1-CG 3.55Å |
| 41 | N | 86.4 | Confident | 84.8 | Confident | 107 Ų | 107 | 55.7 Ų | 55.7 | 57% | 0.572 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.5 | 179.4 | -81.5 | -16.3 | 0 | 0 | 0 | 114.1 | H37 D39 | H37-N41 PolarHBondContact CE1-ND2 3.2Å; H37-N41 PolarHBondContact ND1-ND2 2.86Å; H37-N41 PolarHBondContact NE2-ND2 3.48Å; H37-N41 VanDerWaalsContact NE2-ND2 3.16Å; H37-N41 WeakPolarHBondContact O-CB 3.17Å; H37-N41 PolarHBondContact O-N 2.93Å; D39-N41 VanDerWaalsContact C-N 3.31Å; D39-N41 PolarHBondContact O-N 2.84Å |
| 42 | K | 85.5 | Confident | 83.7 | Confident | 101 Ų | 101 | 54.2 Ų | 54.2 | 44% | 0.439 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 6.6 | 176.5 | -68.5 | -179.6 | -179.3 | -174.4 | 0 | 112.3 | R38 D39 I40 G44 L45 V46 | R38-K42 WeakPolarHBondContact O-CG 3.42Å; D39-K42 CarbonylContact O-C 3.55Å; D39-K42 VanDerWaalsContact O-C 3.31Å; D39-K42 WeakPolarHBondContact O-CA 3.36Å; D39-K42 PolarHBondContact O-N 3.21Å; I40-K42 PolarHBondContact O-N 3.24Å; K42-G44 PolarHBondContact O-N 3.03Å; K42-G44 VanDerWaalsContact O-N 3.1Å; K42-L45 WeakPolarHBondContact O-CA 3.35Å; K42-L45 WeakPolarHBondContact O-CB 3.44Å; K42-L45 PolarHBondContact O-N 3.14Å; K42-V46 HydrophobicContact CB-CG2 4.43Å; K42-V46 WeakPolarHBondContact O-CG2 3.35Å; K42-V46 PolarHBondContact O-N 3.28Å |
| 43 | A | 79.7 | Confident | 82.4 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -59.3 | -33.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D39 I40 L45 I48 L49 I118 | D39-A43 PolarHBondContact O-N 3.17Å; I40-A43 VanDerWaalsContact O-CB 3.3Å; I40-A43 WeakPolarHBondContact O-CB 3.47Å; I40-A43 PolarHBondContact O-N 2.8Å; A43-L45 PolarHBondContact O-N 3.28Å; A43-I48 HydrophobicContact CB-CD1 3.81Å; A43-I48 HydrophobicContact CB-CG1 3.91Å; A43-L49 HydrophobicContact CB-CD1 4.27Å; A43-L49 HydrophobicContact CB-CD2 3.58Å; A43-L49 HydrophobicContact CB-CG 3.89Å; A43-L49 WeakPolarHBondContact O-CD1 2.85Å; A43-L49 WeakPolarHBondContact O-CG 3.35Å; A43-I118 HydrophobicContact CB-CG2 4.33Å |
| 44 | G | 74 | Confident | 81.1 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 74% | 0.742 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -72.1 | -5.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | K42 | K42-G44 PolarHBondContact O-N 3.03Å; K42-G44 VanDerWaalsContact O-N 3.1Å |
| 45 | L | 77.3 | Confident | 79.7 | Confident | 150 Ų | 150 | 63.7 Ų | 63.7 | 79% | 0.785 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -111.7 | -9.5 | -178.8 | -56.9 | 178.7 | 0 | 0 | 0 | 113.2 | K42 A43 | K42-L45 WeakPolarHBondContact O-CA 3.35Å; K42-L45 WeakPolarHBondContact O-CB 3.44Å; K42-L45 PolarHBondContact O-N 3.14Å; A43-L45 PolarHBondContact O-N 3.28Å |
| 46 | V | 72.4 | Confident | 78.3 | Confident | 65 Ų | 65 | 62.4 Ų | 62.4 | 39% | 0.394 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.3 | 152 | -179 | -68.3 | 0 | 0 | 0 | 0 | 110.2 | K42 I48 | K42-V46 HydrophobicContact CB-CG2 4.43Å; K42-V46 WeakPolarHBondContact O-CG2 3.35Å; K42-V46 PolarHBondContact O-N 3.28Å; V46-I48 HydrophobicContact CB-CG2 4.26Å; V46-I48 HydrophobicContact CG2-CB 4.29Å; V46-I48 HydrophobicContact CG2-CD1 3.6Å; V46-I48 HydrophobicContact CG2-CG1 3.77Å; V46-I48 HydrophobicContact CG2-CG2 3.72Å; V46-I48 PolarHBondContact O-N 2.86Å |
| 47 | D | 73.7 | Confident | 77 | Confident | 131 Ų | 131 | 68 Ų | 68 | 70% | 0.701 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 59.1 | -178.8 | -175 | 29.8 | 0 | 0 | 0 | 112.5 | K64 | D47-K64 IonicContact OD1-NZ 2.77Å; D47-K64 PolarHBondContact OD1-NZ 2.77Å; D47-K64 IonicContact OD2-NZ 2.98Å; D47-K64 PolarHBondContact OD2-NZ 3.19Å |
| 48 | I | 71.7 | Confident | 75.5 | Confident | 25 Ų | 25 | 69.2 Ų | 69.2 | 13% | 0.128 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -2.1 | 177.3 | 74.1 | -177.3 | 0 | 0 | 0 | 112.7 | D39 A43 V46 K64 L65 | D39-I48 HydrophobicContact CB-CD1 3.97Å; D39-I48 VanDerWaalsContact O-CD1 3.24Å; D39-I48 WeakPolarHBondContact O-CD1 3.3Å; A43-I48 HydrophobicContact CB-CD1 3.81Å; A43-I48 HydrophobicContact CB-CG1 3.91Å; V46-I48 HydrophobicContact CB-CG2 4.26Å; V46-I48 HydrophobicContact CG2-CB 4.29Å; V46-I48 HydrophobicContact CG2-CD1 3.6Å; V46-I48 HydrophobicContact CG2-CG1 3.77Å; V46-I48 HydrophobicContact CG2-CG2 3.72Å; V46-I48 PolarHBondContact O-N 2.86Å; I48-K64 WeakPolarHBondContact O-CB 3.37Å; I48-L65 HydrophobicContact CB-CD1 4.22Å; I48-L65 HydrophobicContact CD1-CD1 3.61Å; I48-L65 HydrophobicContact CG1-CD1 4.05Å |
| 49 | L | 75.1 | Confident | 74.1 | Confident | 58 Ų | 58 | 65.8 Ų | 65.8 | 30% | 0.304 | 42% | 0.419 | S | S | . | . | trans | -90 | 151.5 | 178.8 | -67.9 | 177.4 | 0 | 0 | 0 | 111.5 | A43 I118 | A43-L49 HydrophobicContact CB-CD1 4.27Å; A43-L49 HydrophobicContact CB-CD2 3.58Å; A43-L49 HydrophobicContact CB-CG 3.89Å; A43-L49 WeakPolarHBondContact O-CD1 2.85Å; A43-L49 WeakPolarHBondContact O-CG 3.35Å; L49-I118 HydrophobicContact CD2-CB 4.32Å; L49-I118 HydrophobicContact CD2-CG2 3.41Å; L49-I118 VanDerWaalsContact CD2-CG2 3.41Å | ||
| 50 | G | 74.2 | Confident | 73.1 | Confident | 38 Ų | 38 | 68.5 Ų | 68.5 | 39% | 0.392 | 43% | 0.431 | S | S | . | . | S | Bend | trans | 85.7 | -178.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q63 K64 | G50-Q63 PolarHBondContact O-OE1 2.64Å; G50-K64 PolarHBondContact O-N 2.98Å |
| 51 | A | 72.1 | Confident | 72.3 | Confident | 53 Ų | 53 | 70.8 Ų | 70.8 | 44% | 0.438 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 140.2 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | G53 V61 | A51-G53 PolarHBondContact O-N 3.16Å; A51-V61 HydrophobicContact CB-CG1 3.7Å |
| 52 | S | 71.7 | Confident | 71.6 | Confident | 41 Ų | 41 | 67 Ų | 67 | 29% | 0.287 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -20.1 | 171.7 | 68.9 | 0 | 0 | 0 | 0 | 112.3 | A54 Q62 | S52-A54 VanDerWaalsContact C-N 3.31Å; S52-A54 WeakPolarHBondContact OG-CB 3.38Å; S52-A54 PolarHBondContact OG-N 3.44Å; S52-Q62 WeakPolarHBondContact CB-O 3.45Å; S52-Q62 PolarHBondContact N-O 2.92Å; S52-Q62 PolarHBondContact OG-O 3.32Å |
| 53 | G | 70.9 | Confident | 71.4 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 78% | 0.784 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 84.8 | 1.4 | -169 | 0 | 0 | 0 | 0 | 0 | 113.7 | A51 | A51-G53 PolarHBondContact O-N 3.16Å |
| 54 | A | 69.2 | Low | 71.7 | Confident | 40 Ų | 40 | 67.3 Ų | 67.3 | 33% | 0.331 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 143.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S52 Q62 | S52-A54 VanDerWaalsContact C-N 3.31Å; S52-A54 WeakPolarHBondContact OG-CB 3.38Å; S52-A54 PolarHBondContact OG-N 3.44Å; A54-Q62 PolarHBondContact O-N 3.37Å |
| 55 | E | 67.1 | Low | 72.4 | Confident | 143 Ų | 143 | 64 Ų | 64 | 67% | 0.668 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136 | 165.9 | -72.6 | -179.5 | 178.9 | 0 | 0 | 108.3 | E60 V61 | E55-E60 WeakPolarHBondContact CA-O 3.42Å; E55-V61 HydrophobicContact CG-CG2 4.05Å |
| 56 | N | 64.2 | Low | 73 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 9% | 0.086 | 36% | 0.355 | C | S | . | . | trans | -76.8 | 168.8 | 171.6 | 65.6 | 14.5 | 0 | 0 | 0 | 110.8 | Q58 G59 E60 Q62 | N56-Q58 PolarHBondContact O-N 3.29Å; N56-Q58 WeakPolarHBondContact OD1-CA 3.49Å; N56-Q58 WeakPolarHBondContact OD1-CB 3.16Å; N56-Q58 PolarHBondContact OD1-N 3.04Å; N56-Q58 VanDerWaalsContact OD1-N 3.16Å; N56-G59 PolarHBondContact O-N 3.05Å; N56-G59 PolarHBondContact OD1-N 3.26Å; N56-G59 VanDerWaalsContact OD1-N 3.13Å; N56-E60 PolarHBondContact N-O 2.96Å; N56-E60 VanDerWaalsContact N-O 3.09Å; N56-E60 PolarHBondContact OD1-N 3.09Å; N56-E60 PolarHBondContact OD1-O 3.29Å; N56-Q62 HydrophobicContact CB-CG 4.34Å | ||
| 57 | V | 66.3 | Low | 73.9 | Confident | 117 Ų | 117 | 56.6 Ų | 56.6 | 71% | 0.709 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -8.1 | 179.5 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | D92 | V57-D92 VanDerWaalsContact CG1-OD2 3.3Å; V57-D92 WeakPolarHBondContact CG1-OD2 3.4Å; V57-D92 HydrophobicContact CG2-CB 4.07Å; V57-D92 VanDerWaalsContact CG2-CG 3.45Å; V57-D92 WeakPolarHBondContact CG2-OD1 3.24Å |
| 58 | Q | 62.6 | Low | 74.8 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -2.3 | 178.6 | -52.7 | 174.6 | -22.5 | 0 | 0 | 112.3 | N56 R271 H306 | N56-Q58 PolarHBondContact O-N 3.29Å; N56-Q58 WeakPolarHBondContact OD1-CA 3.49Å; N56-Q58 WeakPolarHBondContact OD1-CB 3.16Å; N56-Q58 PolarHBondContact OD1-N 3.04Å; N56-Q58 VanDerWaalsContact OD1-N 3.16Å; Q58-R271 VanDerWaalsContact CD-NH2 3.26Å; Q58-H306 PolarHBondContact NE2-CD2 3.14Å; Q58-H306 VanDerWaalsContact NE2-CD2 3.28Å; Q58-H306 PolarHBondContact NE2-CE1 3.41Å; Q58-H306 PolarHBondContact NE2-ND1 3.18Å |
| 59 | G | 64 | Low | 75.9 | Confident | 53 Ų | 53 | 51 Ų | 51 | 55% | 0.546 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 80.6 | 17.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N56 | N56-G59 PolarHBondContact O-N 3.05Å; N56-G59 PolarHBondContact OD1-N 3.26Å; N56-G59 VanDerWaalsContact OD1-N 3.13Å |
| 60 | E | 68.7 | Low | 76.9 | Confident | 76 Ų | 76 | 48.3 Ų | 48.3 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | trans | -98.8 | 133.7 | 178.3 | -66.1 | 171.4 | -175.6 | 0 | 0 | 110.1 | E55 N56 Q62 R271 R308 | E55-E60 WeakPolarHBondContact CA-O 3.42Å; N56-E60 PolarHBondContact N-O 2.96Å; N56-E60 VanDerWaalsContact N-O 3.09Å; N56-E60 PolarHBondContact OD1-N 3.09Å; N56-E60 PolarHBondContact OD1-O 3.29Å; E60-Q62 PolarHBondContact O-N 3.14Å; E60-R271 IonicContact OE1-NH2 3.71Å; E60-R308 IonicContact OE1-NH2 3.24Å; E60-R308 PolarHBondContact OE1-NH2 3.36Å | ||
| 61 | V | 70.6 | Confident | 78 | Confident | 72 Ų | 72 | 50.8 Ų | 50.8 | 44% | 0.436 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 110.9 | 177.6 | 179 | 0 | 0 | 0 | 0 | 108.8 | A51 E55 Q63 | A51-V61 HydrophobicContact CB-CG1 3.7Å; E55-V61 HydrophobicContact CG-CG2 4.05Å; V61-Q63 PolarHBondContact O-NE2 3Å |
| 62 | Q | 72.3 | Confident | 79.1 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 136.1 | -177.2 | -64.6 | -173.5 | -63.9 | 0 | 0 | 111 | S52 A54 N56 E60 L67 E90 | S52-Q62 WeakPolarHBondContact CB-O 3.45Å; S52-Q62 PolarHBondContact N-O 2.92Å; S52-Q62 PolarHBondContact OG-O 3.32Å; A54-Q62 PolarHBondContact O-N 3.37Å; N56-Q62 HydrophobicContact CB-CG 4.34Å; E60-Q62 PolarHBondContact O-N 3.14Å; Q62-L67 HydrophobicContact CB-CD1 4.36Å; Q62-L67 HydrophobicContact CB-CG 4.3Å; Q62-E90 PolarHBondContact NE2-O 2.82Å; Q62-E90 PolarHBondContact NE2-OE2 3.27Å |
| 63 | Q | 81.1 | Confident | 80.3 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 23% | 0.229 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 149.7 | 171.4 | -49.5 | -61.8 | -53.1 | 0 | 0 | 110.4 | G50 V61 L65 D66 L67 | G50-Q63 PolarHBondContact O-OE1 2.64Å; V61-Q63 PolarHBondContact O-NE2 3Å; Q63-L65 PolarHBondContact O-N 2.91Å; Q63-D66 WeakPolarHBondContact CB-OD2 3.37Å; Q63-D66 VanDerWaalsContact CG-OD2 3.23Å; Q63-D66 WeakPolarHBondContact CG-OD2 3.2Å; Q63-D66 PolarHBondContact N-OD2 3.16Å; Q63-D66 PolarHBondContact O-N 3.17Å; Q63-L67 PolarHBondContact O-N 3.11Å |
| 64 | K | 87.1 | Confident | 81.6 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 29% | 0.287 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.3 | -35.3 | 175.8 | -70.3 | -178.5 | -175.6 | -179.7 | 0 | 112 | D47 I48 G50 F68 | D47-K64 IonicContact OD1-NZ 2.77Å; D47-K64 PolarHBondContact OD1-NZ 2.77Å; D47-K64 IonicContact OD2-NZ 2.98Å; D47-K64 PolarHBondContact OD2-NZ 3.19Å; I48-K64 WeakPolarHBondContact O-CB 3.37Å; G50-K64 PolarHBondContact O-N 2.98Å; K64-F68 WeakPolarHBondContact O-CB 3.12Å; K64-F68 PolarHBondContact O-N 3.36Å; K64-F68 VanDerWaalsContact O-N 3.08Å |
| 65 | L | 88.1 | Confident | 82.8 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -76.1 | -29.5 | -177.6 | -158.4 | 55.7 | 0 | 0 | 0 | 113.3 | I40 I48 Q63 F68 A69 L112 I118 | I40-L65 HydrophobicContact CG1-CD2 3.64Å; I48-L65 HydrophobicContact CB-CD1 4.22Å; I48-L65 HydrophobicContact CD1-CD1 3.61Å; I48-L65 HydrophobicContact CG1-CD1 4.05Å; Q63-L65 PolarHBondContact O-N 2.91Å; L65-F68 HydrophobicContact CD1-CB 4.29Å; L65-F68 HydrophobicContact CD1-CD1 3.87Å; L65-F68 HydrophobicContact CD1-CG 4.3Å; L65-F68 PolarHBondContact O-N 3.26Å; L65-A69 VanDerWaalsContact O-CB 3.31Å; L65-A69 WeakPolarHBondContact O-CB 3.5Å; L65-A69 PolarHBondContact O-N 3.43Å; L65-L112 HydrophobicContact CB-CD2 3.93Å; L65-L112 HydrophobicContact CD2-CD2 3.9Å; L65-L112 HydrophobicContact CG-CD2 3.61Å; L65-I118 HydrophobicContact CB-CD1 3.94Å; L65-I118 HydrophobicContact CD2-CD1 3.57Å; L65-I118 HydrophobicContact CD2-CG1 4.24Å; L65-I118 HydrophobicContact CD2-CG2 3.9Å; L65-I118 HydrophobicContact CG-CD1 4.22Å |
| 66 | D | 90.4 | Very high | 84.2 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.2 | -51.5 | 176.2 | -61.3 | -29.7 | 0 | 0 | 0 | 110.2 | Q63 F68 A69 N70 E90 L112 S115 | Q63-D66 WeakPolarHBondContact CB-OD2 3.37Å; Q63-D66 VanDerWaalsContact CG-OD2 3.23Å; Q63-D66 WeakPolarHBondContact CG-OD2 3.2Å; Q63-D66 PolarHBondContact N-OD2 3.16Å; Q63-D66 PolarHBondContact O-N 3.17Å; D66-F68 VanDerWaalsContact C-N 3.28Å; D66-F68 PolarHBondContact O-N 3.14Å; D66-A69 PolarHBondContact O-N 2.95Å; D66-A69 VanDerWaalsContact O-N 3.13Å; D66-N70 WeakPolarHBondContact O-CB 3.49Å; D66-N70 PolarHBondContact O-N 2.96Å; D66-E90 HydrophobicContact CB-CG 4.16Å; D66-E90 WeakPolarHBondContact CB-OE1 3.3Å; D66-L112 WeakPolarHBondContact OD1-CB 3.49Å; D66-S115 VanDerWaalsContact CG-CB 3.48Å; D66-S115 WeakPolarHBondContact OD1-CB 3.06Å; D66-S115 PolarHBondContact OD1-OG 2.71Å; D66-S115 VanDerWaalsContact OD2-CB 3.27Å; D66-S115 WeakPolarHBondContact OD2-CB 3.25Å; D66-S115 PolarHBondContact OD2-OG 2.68Å |
| 67 | L | 91.5 | Very high | 85.8 | Confident | 53 Ų | 53 | 41.9 Ų | 41.9 | 28% | 0.277 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.3 | -43.4 | 173.2 | -69.5 | 178.7 | 0 | 0 | 0 | 111.7 | Q62 Q63 E71 | Q62-L67 HydrophobicContact CB-CD1 4.36Å; Q62-L67 HydrophobicContact CB-CG 4.3Å; Q63-L67 PolarHBondContact O-N 3.11Å; L67-E71 WeakPolarHBondContact O-CG 3.46Å; L67-E71 PolarHBondContact O-N 2.75Å |
| 68 | F | 91.8 | Very high | 87.2 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 17% | 0.171 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.1 | -49.4 | 176 | 172.3 | -89.1 | 0 | 0 | 0 | 111.9 | I35 D39 K64 L65 D66 N70 E71 K72 | I35-F68 HydrophobicContact CG2-CE1 4.32Å; I35-F68 HydrophobicContact CG2-CZ 3.86Å; D39-F68 HydrophobicContact CB-CE1 3.99Å; D39-F68 HydrophobicContact CB-CZ 4.1Å; D39-F68 WeakPolarHBondContact OD2-CE2 3.39Å; D39-F68 WeakPolarHBondContact OD2-CZ 3.21Å; K64-F68 WeakPolarHBondContact O-CB 3.12Å; K64-F68 PolarHBondContact O-N 3.36Å; K64-F68 VanDerWaalsContact O-N 3.08Å; L65-F68 HydrophobicContact CD1-CB 4.29Å; L65-F68 HydrophobicContact CD1-CD1 3.87Å; L65-F68 HydrophobicContact CD1-CG 4.3Å; L65-F68 PolarHBondContact O-N 3.26Å; D66-F68 VanDerWaalsContact C-N 3.28Å; D66-F68 PolarHBondContact O-N 3.14Å; F68-N70 PolarHBondContact O-N 3.29Å; F68-E71 PolarHBondContact O-N 3.18Å; F68-K72 HydrophobicContact CD1-CG 4.22Å; F68-K72 HydrophobicContact CD2-CG 4.39Å; F68-K72 HydrophobicContact CE1-CG 3.72Å; F68-K72 HydrophobicContact CE2-CD 4.18Å; F68-K72 HydrophobicContact CE2-CG 3.94Å; F68-K72 HydrophobicContact CZ-CD 4.13Å; F68-K72 VanDerWaalsContact CZ-CE 3.48Å; F68-K72 HydrophobicContact CZ-CG 3.54Å; F68-K72 WeakPolarHBondContact O-CG 3.29Å; F68-K72 PolarHBondContact O-N 3.41Å |
| 69 | A | 94.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I36 L65 D66 E71 K72 L73 P111 L112 | I36-A69 HydrophobicContact CD1-CB 3.75Å; I36-A69 HydrophobicContact CG1-CB 4.02Å; L65-A69 VanDerWaalsContact O-CB 3.31Å; L65-A69 WeakPolarHBondContact O-CB 3.5Å; L65-A69 PolarHBondContact O-N 3.43Å; D66-A69 PolarHBondContact O-N 2.95Å; D66-A69 VanDerWaalsContact O-N 3.13Å; A69-E71 PolarHBondContact O-N 3.15Å; A69-K72 PolarHBondContact O-N 3.03Å; A69-L73 WeakPolarHBondContact O-CG 3.37Å; A69-L73 PolarHBondContact O-N 3.07Å; A69-P111 HydrophobicContact CB-CB 3.93Å; A69-L112 HydrophobicContact CB-CB 4.17Å; A69-L112 HydrophobicContact CB-CD2 4.47Å |
| 70 | N | 96.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53.9 | -53.4 | 174 | -176.6 | 56.7 | 0 | 0 | 0 | 111.3 | D66 F68 K72 L73 K74 S88 E90 E91 M109 P111 | D66-N70 WeakPolarHBondContact O-CB 3.49Å; D66-N70 PolarHBondContact O-N 2.96Å; F68-N70 PolarHBondContact O-N 3.29Å; N70-K72 PolarHBondContact O-N 3.23Å; N70-L73 PolarHBondContact O-N 2.89Å; N70-K74 WeakPolarHBondContact O-CB 3.35Å; N70-K74 PolarHBondContact O-N 2.92Å; N70-S88 VanDerWaalsContact OD1-CB 3.3Å; N70-S88 WeakPolarHBondContact OD1-CB 3.45Å; N70-S88 PolarHBondContact OD1-OG 3.02Å; N70-E90 HydrophobicContact CB-CB 3.96Å; N70-E90 HydrophobicContact CB-CG 4.19Å; N70-E91 PolarHBondContact ND2-OE1 3.29Å; N70-M109 WeakPolarHBondContact OD1-CE 3.18Å; N70-P111 HydrophobicContact CB-CB 4.2Å; N70-P111 HydrophobicContact CB-CG 4.04Å |
| 71 | E | 95.9 | Very high | 91 | Very high | 91 Ų | 91 | 45.1 Ų | 45.1 | 43% | 0.425 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.6 | -38.8 | -179.7 | -72.9 | -53.9 | 136.7 | 0 | 0 | 113 | L67 F68 A69 K74 A75 | L67-E71 WeakPolarHBondContact O-CG 3.46Å; L67-E71 PolarHBondContact O-N 2.75Å; F68-E71 PolarHBondContact O-N 3.18Å; A69-E71 PolarHBondContact O-N 3.15Å; E71-K74 VanDerWaalsContact CD-CE 3.42Å; E71-K74 WeakPolarHBondContact OE1-CE 3.28Å; E71-K74 IonicContact OE1-NZ 3.41Å; E71-K74 PolarHBondContact OE1-NZ 2.86Å; E71-K74 WeakPolarHBondContact OE2-CE 3.45Å; E71-K74 IonicContact OE2-NZ 3.38Å; E71-A75 VanDerWaalsContact O-CB 3.24Å; E71-A75 WeakPolarHBondContact O-CB 3.26Å; E71-A75 PolarHBondContact O-N 2.85Å |
| 72 | K | 96 | Very high | 92.1 | Very high | 76 Ų | 76 | 42.8 Ų | 42.8 | 33% | 0.33 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69.9 | -39.9 | 178.9 | -64.3 | -45.4 | 174.5 | -160.7 | 0 | 112.7 | I35 F68 A69 N70 A76 | I35-K72 HydrophobicContact CG2-CB 4.35Å; I35-K72 HydrophobicContact CG2-CD 4.1Å; I35-K72 HydrophobicContact CG2-CG 3.78Å; F68-K72 HydrophobicContact CD1-CG 4.22Å; F68-K72 HydrophobicContact CD2-CG 4.39Å; F68-K72 HydrophobicContact CE1-CG 3.72Å; F68-K72 HydrophobicContact CE2-CD 4.18Å; F68-K72 HydrophobicContact CE2-CG 3.94Å; F68-K72 HydrophobicContact CZ-CD 4.13Å; F68-K72 VanDerWaalsContact CZ-CE 3.48Å; F68-K72 HydrophobicContact CZ-CG 3.54Å; F68-K72 WeakPolarHBondContact O-CG 3.29Å; F68-K72 PolarHBondContact O-N 3.41Å; A69-K72 PolarHBondContact O-N 3.03Å; N70-K72 PolarHBondContact O-N 3.23Å; K72-A76 VanDerWaalsContact O-CB 3.27Å; K72-A76 WeakPolarHBondContact O-CB 3.37Å; K72-A76 PolarHBondContact O-N 2.92Å |
| 73 | L | 97.5 | Very high | 93.2 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68 | -47 | 175.4 | -72.8 | 163.9 | 0 | 0 | 0 | 110.8 | I36 A69 N70 A75 A76 L77 M109 P111 T126 | I36-L73 HydrophobicContact CD1-CD1 3.93Å; I36-L73 HydrophobicContact CD1-CD2 4.4Å; I36-L73 HydrophobicContact CD1-CG 3.93Å; A69-L73 WeakPolarHBondContact O-CG 3.37Å; A69-L73 PolarHBondContact O-N 3.07Å; N70-L73 PolarHBondContact O-N 2.89Å; L73-A75 PolarHBondContact O-N 3.35Å; L73-A76 PolarHBondContact O-N 3.14Å; L73-L77 WeakPolarHBondContact O-CB 3.21Å; L73-L77 VanDerWaalsContact O-CG 3.28Å; L73-L77 WeakPolarHBondContact O-CG 3.32Å; L73-L77 PolarHBondContact O-N 3.18Å; L73-M109 HydrophobicContact CB-CE 3.99Å; L73-M109 HydrophobicContact CB-SD 3.72Å; L73-M109 HydrophobicContact CD1-SD 4Å; L73-M109 HydrophobicContact CG-SD 4.45Å; L73-P111 HydrophobicContact CD1-CB 3.91Å; L73-T126 HydrophobicContact CD1-CG2 3.59Å; L73-T126 HydrophobicContact CD2-CG2 4.47Å |
| 74 | K | 96.8 | Very high | 94 | Very high | 33 Ų | 33 | 39.3 Ų | 39.3 | 14% | 0.143 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.2 | -51.2 | 175.5 | -179.1 | 168.1 | 52.3 | -171.4 | 0 | 111.6 | N70 E71 A76 L77 K78 I86 E91 V95 F97 | N70-K74 WeakPolarHBondContact O-CB 3.35Å; N70-K74 PolarHBondContact O-N 2.92Å; E71-K74 VanDerWaalsContact CD-CE 3.42Å; E71-K74 WeakPolarHBondContact OE1-CE 3.28Å; E71-K74 IonicContact OE1-NZ 3.41Å; E71-K74 PolarHBondContact OE1-NZ 2.86Å; E71-K74 WeakPolarHBondContact OE2-CE 3.45Å; E71-K74 IonicContact OE2-NZ 3.38Å; K74-A76 PolarHBondContact O-N 3.45Å; K74-L77 PolarHBondContact O-N 3.42Å; K74-K78 WeakPolarHBondContact O-CB 3.27Å; K74-K78 PolarHBondContact O-N 2.97Å; K74-I86 HydrophobicContact CB-CD1 3.8Å; K74-I86 HydrophobicContact CD-CD1 4.03Å; K74-I86 HydrophobicContact CG-CD1 3.8Å; K74-E91 IonicContact NZ-OE1 2.67Å; K74-E91 PolarHBondContact NZ-OE1 2.87Å; K74-V95 HydrophobicContact CD-CG1 4.01Å; K74-V95 HydrophobicContact CD-CG2 4.47Å; K74-F97 HydrophobicContact CD-CE1 4.42Å; K74-F97 HydrophobicContact CG-CE1 3.79Å; K74-F97 HydrophobicContact CG-CZ 3.98Å |
| 75 | A | 96.3 | Very high | 94.5 | Very high | 57 Ų | 57 | 36.2 Ų | 36.2 | 47% | 0.471 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E71 L73 A79 | E71-A75 VanDerWaalsContact O-CB 3.24Å; E71-A75 WeakPolarHBondContact O-CB 3.26Å; E71-A75 PolarHBondContact O-N 2.85Å; L73-A75 PolarHBondContact O-N 3.35Å; A75-A79 WeakPolarHBondContact O-CB 3.24Å; A75-A79 PolarHBondContact O-N 3.04Å; A75-A79 VanDerWaalsContact O-N 3.14Å |
| 76 | A | 96.5 | Very high | 94.9 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 7% | 0.066 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | A28 K72 L73 K74 | A28-A76 HydrophobicContact CB-CB 4.37Å; A28-A76 VanDerWaalsContact CB-O 3.26Å; A28-A76 WeakPolarHBondContact CB-O 3.47Å; K72-A76 VanDerWaalsContact O-CB 3.27Å; K72-A76 WeakPolarHBondContact O-CB 3.37Å; K72-A76 PolarHBondContact O-N 2.92Å; L73-A76 PolarHBondContact O-N 3.14Å; K74-A76 PolarHBondContact O-N 3.45Å |
| 77 | L | 96.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.1 | -47 | 178 | -68.9 | 168.2 | 0 | 0 | 0 | 111.5 | L25 A28 I29 L73 K74 A79 R80 V83 I86 F97 V107 M109 | L25-L77 HydrophobicContact CD2-CD2 4.15Å; L25-L77 HydrophobicContact CG-CD2 4.37Å; A28-L77 HydrophobicContact CB-CD2 4.05Å; I29-L77 HydrophobicContact CG1-CD2 4.13Å; L73-L77 WeakPolarHBondContact O-CB 3.21Å; L73-L77 VanDerWaalsContact O-CG 3.28Å; L73-L77 WeakPolarHBondContact O-CG 3.32Å; L73-L77 PolarHBondContact O-N 3.18Å; K74-L77 PolarHBondContact O-N 3.42Å; L77-A79 VanDerWaalsContact C-N 3.26Å; L77-A79 PolarHBondContact O-N 3.36Å; L77-R80 PolarHBondContact O-N 2.93Å; L77-R80 VanDerWaalsContact O-N 3.1Å; L77-V83 HydrophobicContact CD2-CG2 4.25Å; L77-I86 HydrophobicContact CD1-CG2 3.89Å; L77-F97 HydrophobicContact CB-CE2 3.97Å; L77-F97 HydrophobicContact CB-CZ 4.37Å; L77-V107 HydrophobicContact CD1-CB 4.15Å; L77-V107 HydrophobicContact CD1-CG1 4Å; L77-V107 HydrophobicContact CD1-CG2 4.39Å; L77-V107 HydrophobicContact CD2-CG2 4.23Å; L77-M109 HydrophobicContact CD1-SD 4.41Å |
| 78 | K | 95.5 | Very high | 95.6 | Very high | 101 Ų | 101 | 33.3 Ų | 33.3 | 44% | 0.439 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -56.5 | -40.6 | 177.2 | -175 | 173.7 | -178.1 | 172.8 | 0 | 111.9 | K74 R80 D81 F97 | K74-K78 WeakPolarHBondContact O-CB 3.27Å; K74-K78 PolarHBondContact O-N 2.97Å; K78-R80 PolarHBondContact O-N 3.01Å; K78-D81 PolarHBondContact O-N 2.79Å; K78-F97 HydrophobicContact CB-CD1 4.17Å; K78-F97 HydrophobicContact CB-CD2 3.86Å; K78-F97 HydrophobicContact CB-CE1 4.08Å; K78-F97 HydrophobicContact CB-CE2 3.77Å; K78-F97 HydrophobicContact CB-CG 4.07Å; K78-F97 HydrophobicContact CB-CZ 3.88Å; K78-F97 HydrophobicContact CD-CD1 4.15Å; K78-F97 HydrophobicContact CD-CG 4.4Å; K78-F97 HydrophobicContact CG-CB 4.36Å; K78-F97 HydrophobicContact CG-CD1 4.16Å; K78-F97 HydrophobicContact CG-CD2 4.18Å; K78-F97 HydrophobicContact CG-CG 3.98Å |
| 79 | A | 94.2 | Very high | 95.8 | Very high | 83 Ų | 83 | 33 Ų | 33 | 69% | 0.686 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -7.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A75 L77 | A75-A79 WeakPolarHBondContact O-CB 3.24Å; A75-A79 PolarHBondContact O-N 3.04Å; A75-A79 VanDerWaalsContact O-N 3.14Å; L77-A79 VanDerWaalsContact C-N 3.26Å; L77-A79 PolarHBondContact O-N 3.36Å |
| 80 | R | 90.4 | Very high | 95.7 | Very high | 99 Ų | 99 | 34 Ų | 34 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -13.7 | 178.6 | -61.2 | -59.7 | -176.4 | -170.1 | -4.1 | 114.5 | A28 L77 K78 I82 | A28-R80 HydrophobicContact CB-CG 3.52Å; L77-R80 PolarHBondContact O-N 2.93Å; L77-R80 VanDerWaalsContact O-N 3.1Å; K78-R80 PolarHBondContact O-N 3.01Å; R80-I82 HydrophobicContact CB-CD1 3.99Å; R80-I82 HydrophobicContact CB-CG1 3.58Å; R80-I82 PolarHBondContact O-N 3.01Å; R80-I82 VanDerWaalsContact O-N 3.14Å |
| 81 | D | 91.4 | Very high | 95.6 | Very high | 77 Ų | 77 | 36 Ų | 36 | 41% | 0.412 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 57.4 | 26.4 | 178.2 | -156 | 27 | 0 | 0 | 0 | 114.4 | K78 C100 H102 | K78-D81 PolarHBondContact O-N 2.79Å; D81-C100 PolarHBondContact OD1-SG 2.73Å; D81-H102 VanDerWaalsContact CG-CE1 3.42Å; D81-H102 PolarHBondContact O-NE2 3.49Å; D81-H102 IonicContact OD1-CE1 2.79Å; D81-H102 PolarHBondContact OD1-CE1 2.84Å; D81-H102 IonicContact OD1-NE2 3.42Å; D81-H102 IonicContact OD2-CE1 2.71Å; D81-H102 PolarHBondContact OD2-CE1 2.91Å; D81-H102 IonicContact OD2-NE2 2.72Å; D81-H102 PolarHBondContact OD2-NE2 3.29Å |
| 82 | I | 92.8 | Very high | 95.5 | Very high | 23 Ų | 23 | 34.9 Ų | 34.9 | 12% | 0.118 | 19% | 0.187 | C | C | . | . | trans | -131.3 | 1.1 | -177.8 | 55.9 | 166.2 | 0 | 0 | 0 | 112.8 | E21 A24 L25 R80 A103 | E21-I82 HydrophobicContact CB-CG2 4.32Å; E21-I82 HydrophobicContact CG-CG2 4.1Å; E21-I82 WeakPolarHBondContact O-CD1 3.45Å; A24-I82 HydrophobicContact CB-CD1 3.59Å; L25-I82 HydrophobicContact CB-CD1 3.79Å; L25-I82 VanDerWaalsContact N-CD1 3.34Å; R80-I82 HydrophobicContact CB-CD1 3.99Å; R80-I82 HydrophobicContact CB-CG1 3.58Å; R80-I82 PolarHBondContact O-N 3.01Å; R80-I82 VanDerWaalsContact O-N 3.14Å; I82-A103 WeakPolarHBondContact O-CB 3.26Å | ||
| 83 | V | 96.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.9 | 173.8 | 178.7 | 0 | 0 | 0 | 0 | 106.7 | L25 L77 G85 I86 F97 C100 Y105 V107 | L25-V83 HydrophobicContact CD1-CG2 3.78Å; L25-V83 HydrophobicContact CG-CG2 3.9Å; L77-V83 HydrophobicContact CD2-CG2 4.25Å; V83-G85 WeakPolarHBondContact CG1-O 3.34Å; V83-I86 HydrophobicContact CG1-CG2 4.15Å; V83-F97 HydrophobicContact CB-CD2 4.38Å; V83-F97 HydrophobicContact CB-CE2 4.32Å; V83-F97 HydrophobicContact CG1-CD2 4.32Å; V83-F97 HydrophobicContact CG1-CE2 4.07Å; V83-F97 WeakPolarHBondContact O-CD2 3.34Å; V83-C100 WeakPolarHBondContact O-CB 3.47Å; V83-Y105 CarbonylContact C-O 3.38Å; V83-Y105 WeakPolarHBondContact CA-O 3.34Å; V83-V107 HydrophobicContact CG1-CB 4.43Å; V83-V107 HydrophobicContact CG1-CG2 3.9Å; V83-V107 HydrophobicContact CG2-CG2 3.99Å |
| 84 | A | 96.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -24.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F97 A103 Y105 V141 | A84-F97 PolarHBondContact O-N 3.3Å; A84-A103 HydrophobicContact CB-CB 3.92Å; A84-Y105 PolarHBondContact N-O 2.86Å; A84-V141 HydrophobicContact CB-CG1 3.41Å; A84-V141 VanDerWaalsContact CB-CG1 3.41Å |
| 85 | G | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.2 | 173.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | V83 V95 V106 V107 | V83-G85 WeakPolarHBondContact CG1-O 3.34Å; G85-V95 CarbonylContact C-O 3.52Å; G85-V95 WeakPolarHBondContact CA-O 3.4Å; G85-V106 WeakPolarHBondContact O-CA 3.29Å; G85-V107 PolarHBondContact O-N 3.24Å |
| 86 | I | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 154.3 | 177.7 | 66.9 | 166.2 | 0 | 0 | 0 | 111.8 | K74 L77 V83 V95 F97 V107 M109 | K74-I86 HydrophobicContact CB-CD1 3.8Å; K74-I86 HydrophobicContact CD-CD1 4.03Å; K74-I86 HydrophobicContact CG-CD1 3.8Å; L77-I86 HydrophobicContact CD1-CG2 3.89Å; V83-I86 HydrophobicContact CG1-CG2 4.15Å; I86-V95 HydrophobicContact CG1-CB 3.77Å; I86-V95 HydrophobicContact CG1-CG2 4.29Å; I86-V95 PolarHBondContact N-O 3.05Å; I86-V95 PolarHBondContact O-N 2.82Å; I86-F97 HydrophobicContact CD1-CZ 4.33Å; I86-F97 HydrophobicContact CG1-CE1 4.31Å; I86-F97 HydrophobicContact CG1-CZ 4.14Å; I86-F97 HydrophobicContact CG2-CE2 3.91Å; I86-F97 HydrophobicContact CG2-CZ 3.65Å; I86-V107 CarbonylContact C-O 3.53Å; I86-V107 WeakPolarHBondContact CA-O 3.48Å; I86-V107 WeakPolarHBondContact CB-O 3.47Å; I86-V107 HydrophobicContact CG2-CB 4.16Å; I86-M109 HydrophobicContact CD1-CE 3.65Å |
| 87 | A | 98.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 136 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | I94 V107 L108 M109 F146 Y274 L305 | A87-I94 HydrophobicContact CB-CG2 4.25Å; A87-V107 PolarHBondContact N-O 2.97Å; A87-L108 HydrophobicContact CB-CD2 4.32Å; A87-L108 HydrophobicContact CB-CG 4.11Å; A87-L108 CarbonylContact O-C 3.53Å; A87-L108 VanDerWaalsContact O-CA 3.28Å; A87-L108 WeakPolarHBondContact O-CA 3.42Å; A87-M109 PolarHBondContact O-N 3.47Å; A87-F146 HydrophobicContact CB-CD1 3.59Å; A87-F146 HydrophobicContact CB-CE1 4.04Å; A87-F146 HydrophobicContact CB-CG 4.18Å; A87-Y274 HydrophobicContact CB-CE1 3.86Å; A87-L305 HydrophobicContact CB-CD2 4.41Å |
| 88 | S | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 147.4 | -174.2 | -169 | 0 | 0 | 0 | 0 | 109.3 | N70 E90 E91 M109 | N70-S88 VanDerWaalsContact OD1-CB 3.3Å; N70-S88 WeakPolarHBondContact OD1-CB 3.45Å; N70-S88 PolarHBondContact OD1-OG 3.02Å; S88-E90 PolarHBondContact O-N 3.37Å; S88-E90 PolarHBondContact OG-N 2.93Å; S88-E91 PolarHBondContact O-N 2.86Å; S88-M109 WeakPolarHBondContact CA-O 3.42Å |
| 89 | E | 95.4 | Very high | 95.1 | Very high | 31 Ų | 31 | 44.8 Ų | 44.8 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -31.8 | 167.3 | -178.8 | 169.5 | -178.1 | 0 | 0 | 112.3 | E91 M109 D110 Y274 | E89-E91 VanDerWaalsContact C-N 3.33Å; E89-E91 PolarHBondContact O-N 2.74Å; E89-M109 PolarHBondContact N-O 3.07Å; E89-M109 VanDerWaalsContact N-O 3.07Å; E89-D110 VanDerWaalsContact OE2-CB 3.32Å; E89-D110 WeakPolarHBondContact OE2-CB 3.34Å; E89-Y274 HydrophobicContact CB-CD2 3.97Å; E89-Y274 HydrophobicContact CB-CG 4.47Å |
| 90 | E | 93.7 | Very high | 95 | Very high | 22 Ų | 22 | 41 Ų | 41 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 1.9 | -178.2 | -63.9 | -58 | 149.8 | 0 | 0 | 114.8 | Q62 D66 N70 S88 P111 | Q62-E90 PolarHBondContact NE2-O 2.82Å; Q62-E90 PolarHBondContact NE2-OE2 3.27Å; D66-E90 HydrophobicContact CB-CG 4.16Å; D66-E90 WeakPolarHBondContact CB-OE1 3.3Å; N70-E90 HydrophobicContact CB-CB 3.96Å; N70-E90 HydrophobicContact CB-CG 4.19Å; S88-E90 PolarHBondContact O-N 3.37Å; S88-E90 PolarHBondContact OG-N 2.93Å; E90-P111 HydrophobicContact CB-CG 4.34Å; E90-P111 HydrophobicContact CG-CG 3.47Å; E90-P111 VanDerWaalsContact CG-CG 3.47Å |
| 91 | E | 95.2 | Very high | 95.2 | Very high | 42 Ų | 42 | 39.8 Ų | 39.8 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | trans | -122 | 135.3 | -178.5 | -58 | -82 | -171.4 | 0 | 0 | 109.8 | N70 K74 S88 E89 V95 H306 | N70-E91 PolarHBondContact ND2-OE1 3.29Å; K74-E91 IonicContact NZ-OE1 2.67Å; K74-E91 PolarHBondContact NZ-OE1 2.87Å; S88-E91 PolarHBondContact O-N 2.86Å; E89-E91 VanDerWaalsContact C-N 3.33Å; E89-E91 PolarHBondContact O-N 2.74Å; E91-V95 HydrophobicContact CB-CG2 4.45Å; E91-V95 HydrophobicContact CG-CG2 4Å; E91-H306 PolarHBondContact O-CE1 3.27Å; E91-H306 PolarHBondContact O-NE2 3.1Å | ||
| 92 | D | 93.2 | Very high | 95.3 | Very high | 69 Ų | 69 | 40.6 Ų | 40.6 | 37% | 0.369 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -70.8 | -36.3 | -179.2 | -62.4 | -34.5 | 0 | 0 | 0 | 111.8 | V57 H306 | V57-D92 VanDerWaalsContact CG1-OD2 3.3Å; V57-D92 WeakPolarHBondContact CG1-OD2 3.4Å; V57-D92 HydrophobicContact CG2-CB 4.07Å; V57-D92 VanDerWaalsContact CG2-CG 3.45Å; V57-D92 WeakPolarHBondContact CG2-OD1 3.24Å; D92-H306 PolarHBondContact O-CD2 2.85Å; D92-H306 PolarHBondContact O-NE2 2.86Å |
| 93 | E | 96.2 | Very high | 95.4 | Very high | 152 Ų | 152 | 39.6 Ų | 39.6 | 71% | 0.71 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -122.4 | 170.6 | -178.7 | -63.7 | -178.8 | -177.2 | 0 | 0 | 111 | ||
| 94 | I | 97.7 | Very high | 95.4 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 16% | 0.159 | 22% | 0.222 | C | C | . | . | trans | -65.4 | 145 | 171.9 | 63.3 | 171.7 | 0 | 0 | 0 | 111 | A87 V96 E143 F146 L305 | A87-I94 HydrophobicContact CB-CG2 4.25Å; I94-V96 HydrophobicContact CD1-CG2 4.26Å; I94-V96 HydrophobicContact CG1-CG2 4.46Å; I94-E143 HydrophobicContact CD1-CG 4.22Å; I94-E143 HydrophobicContact CG1-CG 4.46Å; I94-E143 HydrophobicContact CG2-CG 4.24Å; I94-F146 HydrophobicContact CB-CD2 4.27Å; I94-F146 HydrophobicContact CB-CE2 3.93Å; I94-F146 HydrophobicContact CB-CZ 4.26Å; I94-F146 HydrophobicContact CD1-CD2 4.21Å; I94-F146 HydrophobicContact CD1-CE2 3.8Å; I94-F146 HydrophobicContact CG1-CE2 4.47Å; I94-F146 HydrophobicContact CG2-CD1 4.47Å; I94-F146 HydrophobicContact CG2-CD2 3.56Å; I94-F146 HydrophobicContact CG2-CE2 3.75Å; I94-F146 HydrophobicContact CG2-CG 3.95Å; I94-F146 HydrophobicContact CG2-CZ 4.27Å; I94-L305 HydrophobicContact CG2-CD1 3.69Å; I94-L305 HydrophobicContact CG2-CD2 3.82Å; I94-L305 HydrophobicContact CG2-CG 4.42Å | ||
| 95 | V | 97.3 | Very high | 95.4 | Very high | 33 Ų | 33 | 43 Ų | 43 | 20% | 0.2 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 111.2 | 172.3 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | K74 G85 I86 E91 F97 | K74-V95 HydrophobicContact CD-CG1 4.01Å; K74-V95 HydrophobicContact CD-CG2 4.47Å; G85-V95 CarbonylContact C-O 3.52Å; G85-V95 WeakPolarHBondContact CA-O 3.4Å; I86-V95 HydrophobicContact CG1-CB 3.77Å; I86-V95 HydrophobicContact CG1-CG2 4.29Å; I86-V95 PolarHBondContact N-O 3.05Å; I86-V95 PolarHBondContact O-N 2.82Å; E91-V95 HydrophobicContact CB-CG2 4.45Å; E91-V95 HydrophobicContact CG-CG2 4Å; V95-F97 HydrophobicContact CG1-CD1 4.18Å; V95-F97 HydrophobicContact CG1-CE1 3.94Å |
| 96 | V | 96.9 | Very high | 95.4 | Very high | 65 Ų | 65 | 43 Ų | 43 | 39% | 0.394 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 130.6 | 174.6 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | I94 E98 V141 | I94-V96 HydrophobicContact CD1-CG2 4.26Å; I94-V96 HydrophobicContact CG1-CG2 4.46Å; V96-E98 PolarHBondContact O-N 3.38Å; V96-V141 HydrophobicContact CB-CG2 4.27Å; V96-V141 HydrophobicContact CG1-CG2 3.82Å; V96-V141 HydrophobicContact CG2-CG2 3.84Å |
| 97 | F | 96 | Very high | 95.4 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | trans | -89.1 | 106.7 | 173.5 | -65.9 | -17.5 | 0 | 0 | 0 | 110 | K74 L77 K78 V83 A84 I86 V95 G99 C100 | K74-F97 HydrophobicContact CD-CE1 4.42Å; K74-F97 HydrophobicContact CG-CE1 3.79Å; K74-F97 HydrophobicContact CG-CZ 3.98Å; L77-F97 HydrophobicContact CB-CE2 3.97Å; L77-F97 HydrophobicContact CB-CZ 4.37Å; K78-F97 HydrophobicContact CB-CD1 4.17Å; K78-F97 HydrophobicContact CB-CD2 3.86Å; K78-F97 HydrophobicContact CB-CE1 4.08Å; K78-F97 HydrophobicContact CB-CE2 3.77Å; K78-F97 HydrophobicContact CB-CG 4.07Å; K78-F97 HydrophobicContact CB-CZ 3.88Å; K78-F97 HydrophobicContact CD-CD1 4.15Å; K78-F97 HydrophobicContact CD-CG 4.4Å; K78-F97 HydrophobicContact CG-CB 4.36Å; K78-F97 HydrophobicContact CG-CD1 4.16Å; K78-F97 HydrophobicContact CG-CD2 4.18Å; K78-F97 HydrophobicContact CG-CG 3.98Å; V83-F97 HydrophobicContact CB-CD2 4.38Å; V83-F97 HydrophobicContact CB-CE2 4.32Å; V83-F97 HydrophobicContact CG1-CD2 4.32Å; V83-F97 HydrophobicContact CG1-CE2 4.07Å; V83-F97 WeakPolarHBondContact O-CD2 3.34Å; A84-F97 PolarHBondContact O-N 3.3Å; I86-F97 HydrophobicContact CD1-CZ 4.33Å; I86-F97 HydrophobicContact CG1-CE1 4.31Å; I86-F97 HydrophobicContact CG1-CZ 4.14Å; I86-F97 HydrophobicContact CG2-CE2 3.91Å; I86-F97 HydrophobicContact CG2-CZ 3.65Å; V95-F97 HydrophobicContact CG1-CD1 4.18Å; V95-F97 HydrophobicContact CG1-CE1 3.94Å; F97-G99 PolarHBondContact O-N 2.89Å; F97-C100 HydrophobicContact CB-CB 4.05Å; F97-C100 WeakPolarHBondContact O-CB 3.41Å; F97-C100 PolarHBondContact O-N 3.04Å | ||
| 98 | E | 91.6 | Very high | 95.4 | Very high | 160 Ų | 160 | 43 Ų | 43 | 75% | 0.748 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 134.1 | 176.3 | -61.7 | 178 | 165.6 | 0 | 0 | 112.1 | V96 C100 | V96-E98 PolarHBondContact O-N 3.38Å; E98-C100 PolarHBondContact O-N 3.11Å |
| 99 | G | 91.7 | Very high | 95.5 | Very high | 44 Ų | 44 | 43 Ų | 43 | 45% | 0.454 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -6.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F97 E101 H102 | F97-G99 PolarHBondContact O-N 2.89Å; G99-E101 WeakPolarHBondContact CA-OE2 3.43Å; G99-E101 PolarHBondContact N-OE1 3.08Å; G99-E101 PolarHBondContact N-OE2 3.04Å; G99-H102 PolarHBondContact O-CE1 2.99Å; G99-H102 PolarHBondContact O-ND1 2.81Å |
| 100 | C | 92.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.034 | 22% | 0.216 | C | C | . | . | trans | -96.5 | 25.2 | 178.5 | -59.7 | 0 | 0 | 0 | 0 | 112.8 | D81 V83 F97 E98 H102 A103 | D81-C100 PolarHBondContact OD1-SG 2.73Å; V83-C100 WeakPolarHBondContact O-CB 3.47Å; F97-C100 HydrophobicContact CB-CB 4.05Å; F97-C100 WeakPolarHBondContact O-CB 3.41Å; F97-C100 PolarHBondContact O-N 3.04Å; E98-C100 PolarHBondContact O-N 3.11Å; C100-H102 PolarHBondContact O-N 3Å; C100-H102 VanDerWaalsContact O-N 3.11Å; C100-A103 HydrophobicContact CB-CB 4.17Å; C100-A103 WeakPolarHBondContact O-CB 3.27Å; C100-A103 PolarHBondContact O-N 3.49Å | ||
| 101 | E | 93.2 | Very high | 95.7 | Very high | 73 Ų | 73 | 40.7 Ų | 40.7 | 34% | 0.341 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.5 | -178.6 | -62.8 | 78.1 | -173.7 | 0 | 0 | 112.5 | G99 A103 R133 G138 | G99-E101 WeakPolarHBondContact CA-OE2 3.43Å; G99-E101 PolarHBondContact N-OE1 3.08Å; G99-E101 PolarHBondContact N-OE2 3.04Å; E101-A103 VanDerWaalsContact C-N 3.32Å; E101-R133 PolarHBondContact O-NH1 3.26Å; E101-G138 WeakPolarHBondContact O-CA 3.25Å; E101-G138 PolarHBondContact O-N 3.12Å |
| 102 | H | 94.3 | Very high | 95.7 | Very high | 93 Ų | 93 | 38.9 Ų | 38.9 | 43% | 0.431 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.8 | 175.4 | 65.5 | -85 | 0 | 0 | 0 | 113.3 | D81 G99 C100 V137 | D81-H102 VanDerWaalsContact CG-CE1 3.42Å; D81-H102 PolarHBondContact O-NE2 3.49Å; D81-H102 IonicContact OD1-CE1 2.79Å; D81-H102 PolarHBondContact OD1-CE1 2.84Å; D81-H102 IonicContact OD1-NE2 3.42Å; D81-H102 IonicContact OD2-CE1 2.71Å; D81-H102 PolarHBondContact OD2-CE1 2.91Å; D81-H102 IonicContact OD2-NE2 2.72Å; D81-H102 PolarHBondContact OD2-NE2 3.29Å; G99-H102 PolarHBondContact O-CE1 2.99Å; G99-H102 PolarHBondContact O-ND1 2.81Å; C100-H102 PolarHBondContact O-N 3Å; C100-H102 VanDerWaalsContact O-N 3.11Å; H102-V137 WeakPolarHBondContact O-CG1 3.47Å |
| 103 | A | 95.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | trans | -67.8 | 145.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I82 A84 C100 E101 R133 | I82-A103 WeakPolarHBondContact O-CB 3.26Å; A84-A103 HydrophobicContact CB-CB 3.92Å; C100-A103 HydrophobicContact CB-CB 4.17Å; C100-A103 WeakPolarHBondContact O-CB 3.27Å; C100-A103 PolarHBondContact O-N 3.49Å; E101-A103 VanDerWaalsContact C-N 3.32Å; A103-R133 WeakPolarHBondContact O-CD 3.4Å | ||
| 104 | K | 95.1 | Very high | 95.7 | Very high | 68 Ų | 68 | 29.7 Ų | 29.7 | 30% | 0.296 | 16% | 0.161 | S | C | . | . | trans | -101.7 | -10.8 | -172.6 | -59.9 | 177.5 | -169.1 | 136.8 | 0 | 113.8 | E21 R132 R133 V137 | E21-K104 VanDerWaalsContact CD-NZ 3.3Å; E21-K104 IonicContact OE1-NZ 2.64Å; E21-K104 PolarHBondContact OE1-NZ 3.05Å; E21-K104 IonicContact OE2-NZ 3.01Å; E21-K104 PolarHBondContact OE2-NZ 3.04Å; K104-R132 WeakPolarHBondContact O-CA 3.35Å; K104-R133 PolarHBondContact O-N 3.48Å; K104-V137 HydrophobicContact CG-CG2 4.21Å | ||
| 105 | Y | 96.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 2% | 0.02 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 150 | -170.6 | -61.5 | -77.3 | 0 | 0 | 0 | 111.6 | E21 L25 V83 A84 I130 Y131 R132 V154 | E21-Y105 HydrophobicContact CB-CE2 3.89Å; L25-Y105 HydrophobicContact CD1-CG 4.25Å; V83-Y105 CarbonylContact C-O 3.38Å; V83-Y105 WeakPolarHBondContact CA-O 3.34Å; A84-Y105 PolarHBondContact N-O 2.86Å; Y105-I130 HydrophobicContact CD1-CG2 4.01Å; Y105-I130 HydrophobicContact CG-CG2 4.49Å; Y105-Y131 VanDerWaalsContact CA-O 3.27Å; Y105-Y131 WeakPolarHBondContact CA-O 3.13Å; Y105-Y131 WeakPolarHBondContact CD1-O 3.16Å; Y105-R132 HydrophobicContact CD1-CG 4.23Å; Y105-R132 HydrophobicContact CE1-CG 3.93Å; Y105-R132 PolarHBondContact OH-NH1 2.83Å; Y105-R132 VanDerWaalsContact OH-NH1 3.14Å; Y105-R132 PolarHBondContact OH-NH2 3.49Å; Y105-V154 HydrophobicContact CD1-CG2 4.16Å; Y105-V154 HydrophobicContact CE1-CG2 3.96Å |
| 106 | V | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 151.9 | 164.4 | -64.6 | 0 | 0 | 0 | 0 | 108.9 | G85 L108 Y131 R133 V141 D145 F146 | G85-V106 WeakPolarHBondContact O-CA 3.29Å; V106-L108 HydrophobicContact CG2-CD1 4.43Å; V106-Y131 PolarHBondContact N-O 3.08Å; V106-Y131 PolarHBondContact O-N 3.07Å; V106-Y131 VanDerWaalsContact O-N 3.07Å; V106-R133 HydrophobicContact CG1-CB 4.37Å; V106-V141 HydrophobicContact CG1-CG1 4.09Å; V106-D145 HydrophobicContact CG1-CB 4.06Å; V106-D145 HydrophobicContact CG2-CB 4.47Å; V106-D145 WeakPolarHBondContact CG2-O 3.42Å; V106-F146 HydrophobicContact CB-CD1 4.13Å; V106-F146 HydrophobicContact CB-CE1 3.59Å; V106-F146 HydrophobicContact CB-CZ 3.87Å; V106-F146 HydrophobicContact CG1-CE1 4.02Å; V106-F146 HydrophobicContact CG1-CE2 4.22Å; V106-F146 HydrophobicContact CG1-CZ 3.75Å; V106-F146 HydrophobicContact CG2-CD1 4.21Å; V106-F146 HydrophobicContact CG2-CE1 4.18Å |
| 107 | V | 98.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.8 | -178.7 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | L25 L77 V83 G85 I86 A87 S129 I130 | L25-V107 HydrophobicContact CD1-CG2 3.99Å; L25-V107 HydrophobicContact CD2-CG2 4.14Å; L25-V107 HydrophobicContact CG-CG2 4.34Å; L77-V107 HydrophobicContact CD1-CB 4.15Å; L77-V107 HydrophobicContact CD1-CG1 4Å; L77-V107 HydrophobicContact CD1-CG2 4.39Å; L77-V107 HydrophobicContact CD2-CG2 4.23Å; V83-V107 HydrophobicContact CG1-CB 4.43Å; V83-V107 HydrophobicContact CG1-CG2 3.9Å; V83-V107 HydrophobicContact CG2-CG2 3.99Å; G85-V107 PolarHBondContact O-N 3.24Å; I86-V107 CarbonylContact C-O 3.53Å; I86-V107 WeakPolarHBondContact CA-O 3.48Å; I86-V107 WeakPolarHBondContact CB-O 3.47Å; I86-V107 HydrophobicContact CG2-CB 4.16Å; A87-V107 PolarHBondContact N-O 2.97Å; V107-S129 WeakPolarHBondContact CA-O 3.32Å; V107-I130 HydrophobicContact CG2-CG1 4.34Å |
| 108 | L | 98.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 138.3 | 171.9 | -65.1 | 86.6 | 0 | 0 | 0 | 108.1 | A87 V106 F128 S129 Y131 F146 L273 Y274 | A87-L108 HydrophobicContact CB-CD2 4.32Å; A87-L108 HydrophobicContact CB-CG 4.11Å; A87-L108 CarbonylContact O-C 3.53Å; A87-L108 VanDerWaalsContact O-CA 3.28Å; A87-L108 WeakPolarHBondContact O-CA 3.42Å; V106-L108 HydrophobicContact CG2-CD1 4.43Å; L108-F128 CarbonylContact O-C 3.48Å; L108-F128 WeakPolarHBondContact O-CA 3.15Å; L108-S129 PolarHBondContact N-O 3.4Å; L108-S129 PolarHBondContact O-N 3.4Å; L108-Y131 HydrophobicContact CD1-CD2 3.45Å; L108-Y131 VanDerWaalsContact CD1-CD2 3.45Å; L108-Y131 HydrophobicContact CD1-CE2 3.66Å; L108-F146 HydrophobicContact CD1-CD1 3.87Å; L108-F146 HydrophobicContact CD2-CB 4.21Å; L108-F146 HydrophobicContact CD2-CD1 4.39Å; L108-F146 HydrophobicContact CG-CD1 3.92Å; L108-L273 HydrophobicContact CD2-CB 3.65Å; L108-L273 HydrophobicContact CD2-CD1 3.76Å; L108-L273 HydrophobicContact CD2-CD2 4.01Å; L108-L273 HydrophobicContact CD2-CG 4.02Å; L108-Y274 HydrophobicContact CB-CD1 4.06Å; L108-Y274 HydrophobicContact CB-CE1 4.36Å; L108-Y274 HydrophobicContact CD2-CD1 4.44Å; L108-Y274 HydrophobicContact CD2-CE1 4.18Å |
| 109 | M | 98.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 145.3 | -175.1 | 65.8 | -169 | -169.2 | 0 | 0 | 113.3 | N70 L73 L77 I86 A87 S88 E89 I127 | N70-M109 WeakPolarHBondContact OD1-CE 3.18Å; L73-M109 HydrophobicContact CB-CE 3.99Å; L73-M109 HydrophobicContact CB-SD 3.72Å; L73-M109 HydrophobicContact CD1-SD 4Å; L73-M109 HydrophobicContact CG-SD 4.45Å; L77-M109 HydrophobicContact CD1-SD 4.41Å; I86-M109 HydrophobicContact CD1-CE 3.65Å; A87-M109 PolarHBondContact O-N 3.47Å; S88-M109 WeakPolarHBondContact CA-O 3.42Å; E89-M109 PolarHBondContact N-O 3.07Å; E89-M109 VanDerWaalsContact N-O 3.07Å; M109-I127 VanDerWaalsContact CA-O 3.25Å; M109-I127 WeakPolarHBondContact CA-O 3.06Å; M109-I127 WeakPolarHBondContact CB-O 3.44Å |
| 110 | D | 97.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 111.2 | 149.8 | 168.4 | -0.2 | 0 | 0 | 0 | 105.7 | E89 L112 D113 T126 I127 E275 | E89-D110 VanDerWaalsContact OE2-CB 3.32Å; E89-D110 WeakPolarHBondContact OE2-CB 3.34Å; D110-L112 PolarHBondContact O-N 2.86Å; D110-L112 VanDerWaalsContact OD1-C 3.22Å; D110-L112 PolarHBondContact OD1-N 2.89Å; D110-D113 PolarHBondContact OD1-N 3.2Å; D110-D113 VanDerWaalsContact OD1-N 3.12Å; D110-D113 WeakPolarHBondContact OD2-CA 3.39Å; D110-D113 WeakPolarHBondContact OD2-CB 3.21Å; D110-D113 PolarHBondContact OD2-N 3.27Å; D110-T126 CarbonylContact O-C 3.52Å; D110-I127 HydrophobicContact CB-CB 4.17Å; D110-I127 HydrophobicContact CB-CD1 4.44Å; D110-I127 HydrophobicContact CB-CG1 4.48Å; D110-I127 PolarHBondContact N-O 3.02Å; D110-I127 PolarHBondContact O-N 3.32Å; D110-I127 VanDerWaalsContact O-O 3.06Å; D110-E275 HydrophobicContact CB-CG 4.39Å |
| 111 | P | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | -29 | -176.5 | 26.8 | -32.1 | 0 | 0 | 0 | 112.6 | A69 N70 L73 E90 T126 | A69-P111 HydrophobicContact CB-CB 3.93Å; N70-P111 HydrophobicContact CB-CB 4.2Å; N70-P111 HydrophobicContact CB-CG 4.04Å; L73-P111 HydrophobicContact CD1-CB 3.91Å; E90-P111 HydrophobicContact CB-CG 4.34Å; E90-P111 HydrophobicContact CG-CG 3.47Å; E90-P111 VanDerWaalsContact CG-CG 3.47Å; P111-T126 WeakPolarHBondContact O-CB 3.31Å; P111-T126 PolarHBondContact O-OG1 3.34Å |
| 112 | L | 94.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 76.8 | -174.5 | -163.2 | 61.3 | 0 | 0 | 0 | 114.8 | I40 L65 D66 A69 D110 G114 S115 I118 V124 G125 Y161 | I40-L112 HydrophobicContact CD1-CD1 3.97Å; L65-L112 HydrophobicContact CB-CD2 3.93Å; L65-L112 HydrophobicContact CD2-CD2 3.9Å; L65-L112 HydrophobicContact CG-CD2 3.61Å; D66-L112 WeakPolarHBondContact OD1-CB 3.49Å; A69-L112 HydrophobicContact CB-CB 4.17Å; A69-L112 HydrophobicContact CB-CD2 4.47Å; D110-L112 PolarHBondContact O-N 2.86Å; D110-L112 VanDerWaalsContact OD1-C 3.22Å; D110-L112 PolarHBondContact OD1-N 2.89Å; L112-G114 PolarHBondContact O-N 2.95Å; L112-S115 PolarHBondContact O-N 3.36Å; L112-I118 HydrophobicContact CD2-CD1 3.72Å; L112-V124 HydrophobicContact CD1-CB 4.19Å; L112-V124 HydrophobicContact CD1-CG2 3.85Å; L112-G125 CarbonylContact C-O 3.31Å; L112-G125 VanDerWaalsContact CA-O 3.25Å; L112-G125 WeakPolarHBondContact CA-O 3.49Å; L112-Y161 HydrophobicContact CD1-CD2 4.17Å; L112-Y161 HydrophobicContact CD1-CE2 4.07Å |
| 113 | D | 95.5 | Very high | 93.1 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 134.7 | 168.4 | 169.5 | 53 | 0 | 0 | 0 | 112 | D110 V124 G125 I127 S242 L243 V244 | D110-D113 PolarHBondContact OD1-N 3.2Å; D110-D113 VanDerWaalsContact OD1-N 3.12Å; D110-D113 WeakPolarHBondContact OD2-CA 3.39Å; D110-D113 WeakPolarHBondContact OD2-CB 3.21Å; D110-D113 PolarHBondContact OD2-N 3.27Å; D113-V124 WeakPolarHBondContact O-CA 3.3Å; D113-V124 VanDerWaalsContact O-CB 3.26Å; D113-V124 WeakPolarHBondContact O-CB 3.43Å; D113-G125 WeakPolarHBondContact CB-O 3.39Å; D113-G125 PolarHBondContact N-O 2.83Å; D113-G125 PolarHBondContact O-N 3.13Å; D113-G125 VanDerWaalsContact O-N 3.09Å; D113-I127 HydrophobicContact CB-CD1 4.19Å; D113-I127 HydrophobicContact CB-CG1 4.48Å; D113-S242 WeakPolarHBondContact OD2-CB 3.45Å; D113-S242 PolarHBondContact OD2-OG 2.77Å; D113-L243 PolarHBondContact OD1-N 2.87Å; D113-L243 PolarHBondContact OD2-N 2.81Å; D113-V244 HydrophobicContact CB-CG2 3.85Å; D113-V244 WeakPolarHBondContact OD2-CB 3.07Å; D113-V244 WeakPolarHBondContact OD2-CG2 3.14Å; D113-V244 PolarHBondContact OD2-N 2.98Å |
| 114 | G | 92.7 | Very high | 93.1 | Very high | 12 Ų | 12 | 33.6 Ų | 33.6 | 12% | 0.124 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 24.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L112 S116 N117 V124 | L112-G114 PolarHBondContact O-N 2.95Å; G114-S116 PolarHBondContact O-N 2.88Å; G114-N117 WeakPolarHBondContact O-CB 3.36Å; G114-N117 PolarHBondContact O-N 3.38Å; G114-N117 PolarHBondContact O-ND2 2.84Å; G114-V124 WeakPolarHBondContact O-CG1 3.39Å |
| 115 | S | 88 | Confident | 93.2 | Very high | 27 Ų | 27 | 30.3 Ų | 30.3 | 19% | 0.189 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -53.3 | -27.5 | -176.8 | 72.6 | 0 | 0 | 0 | 0 | 114.7 | D66 L112 N117 I118 | D66-S115 VanDerWaalsContact CG-CB 3.48Å; D66-S115 WeakPolarHBondContact OD1-CB 3.06Å; D66-S115 PolarHBondContact OD1-OG 2.71Å; D66-S115 VanDerWaalsContact OD2-CB 3.27Å; D66-S115 WeakPolarHBondContact OD2-CB 3.25Å; D66-S115 PolarHBondContact OD2-OG 2.68Å; L112-S115 PolarHBondContact O-N 3.36Å; S115-N117 PolarHBondContact O-N 2.85Å; S115-I118 WeakPolarHBondContact O-CD1 3.07Å; S115-I118 WeakPolarHBondContact O-CG1 3.34Å; S115-I118 PolarHBondContact O-N 3.09Å; S115-I118 VanDerWaalsContact O-N 3.14Å |
| 116 | S | 87.2 | Confident | 93.3 | Very high | 87 Ų | 87 | 30.2 Ų | 30.2 | 61% | 0.608 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -60.7 | -10 | 170.8 | 67.5 | 0 | 0 | 0 | 0 | 115.1 | G114 | G114-S116 PolarHBondContact O-N 2.88Š|
| 117 | N | 89.4 | Confident | 93.4 | Very high | 21 Ų | 21 | 30.2 Ų | 30.2 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -98.2 | -7.6 | -179.2 | -69.3 | -35.5 | 0 | 0 | 0 | 113.5 | G114 S115 V120 N121 V122 V124 G241 | G114-N117 WeakPolarHBondContact O-CB 3.36Å; G114-N117 PolarHBondContact O-N 3.38Å; G114-N117 PolarHBondContact O-ND2 2.84Å; S115-N117 PolarHBondContact O-N 2.85Å; N117-V120 VanDerWaalsContact O-CG2 3.24Å; N117-V120 WeakPolarHBondContact O-CG2 3.49Å; N117-V120 PolarHBondContact O-N 3.45Å; N117-N121 PolarHBondContact O-N 3.05Å; N117-V122 HydrophobicContact CB-CB 3.76Å; N117-V122 HydrophobicContact CB-CG1 3.88Å; N117-V122 PolarHBondContact O-N 2.85Å; N117-V124 HydrophobicContact CB-CG1 3.98Å; N117-G241 PolarHBondContact ND2-O 2.69Å |
| 118 | I | 84.2 | Confident | 93.4 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 8% | 0.077 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -44.7 | -172.1 | -60.5 | 158.7 | 0 | 0 | 0 | 110.9 | A43 L49 L65 L112 S115 V120 N121 V124 | A43-I118 HydrophobicContact CB-CG2 4.33Å; L49-I118 HydrophobicContact CD2-CB 4.32Å; L49-I118 HydrophobicContact CD2-CG2 3.41Å; L49-I118 VanDerWaalsContact CD2-CG2 3.41Å; L65-I118 HydrophobicContact CB-CD1 3.94Å; L65-I118 HydrophobicContact CD2-CD1 3.57Å; L65-I118 HydrophobicContact CD2-CG1 4.24Å; L65-I118 HydrophobicContact CD2-CG2 3.9Å; L65-I118 HydrophobicContact CG-CD1 4.22Å; L112-I118 HydrophobicContact CD2-CD1 3.72Å; S115-I118 WeakPolarHBondContact O-CD1 3.07Å; S115-I118 WeakPolarHBondContact O-CG1 3.34Å; S115-I118 PolarHBondContact O-N 3.09Å; S115-I118 VanDerWaalsContact O-N 3.14Å; I118-V120 PolarHBondContact O-N 2.74Å; I118-N121 PolarHBondContact O-N 3.5Å; I118-N121 VanDerWaalsContact O-N 3.07Å; I118-V124 HydrophobicContact CG1-CG1 3.93Å; I118-V124 HydrophobicContact CG1-CG2 4.35Å |
| 119 | D | 83.9 | Confident | 93.4 | Very high | 111 Ų | 111 | 30.3 Ų | 30.3 | 59% | 0.594 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.9 | -177.6 | 66.2 | -21.2 | 0 | 0 | 0 | 113.3 | ||
| 120 | V | 89.4 | Confident | 93.4 | Very high | 88 Ų | 88 | 30.1 Ų | 30.1 | 53% | 0.533 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 10.9 | 173.9 | -62.3 | 0 | 0 | 0 | 0 | 113.7 | N117 I118 V122 | N117-V120 VanDerWaalsContact O-CG2 3.24Å; N117-V120 WeakPolarHBondContact O-CG2 3.49Å; N117-V120 PolarHBondContact O-N 3.45Å; I118-V120 PolarHBondContact O-N 2.74Å; V120-V122 HydrophobicContact CG2-CB 4.19Å; V120-V122 HydrophobicContact CG2-CG2 3.97Å; V120-V122 PolarHBondContact O-N 3.48Å |
| 121 | N | 88.1 | Confident | 93.4 | Very high | 152 Ų | 152 | 30 Ų | 30 | 81% | 0.813 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 33.9 | 179.2 | -65.2 | -62.7 | 0 | 0 | 0 | 114 | N117 I118 | N117-N121 PolarHBondContact O-N 3.05Å; I118-N121 PolarHBondContact O-N 3.5Å; I118-N121 VanDerWaalsContact O-N 3.07Å |
| 122 | V | 92.6 | Very high | 93.3 | Very high | 53 Ų | 53 | 35.1 Ų | 35.1 | 32% | 0.321 | 20% | 0.199 | S | C | . | . | trans | -91.5 | 152.7 | 173.4 | 165.9 | 0 | 0 | 0 | 0 | 109.2 | N117 V120 I240 | N117-V122 HydrophobicContact CB-CB 3.76Å; N117-V122 HydrophobicContact CB-CG1 3.88Å; N117-V122 PolarHBondContact O-N 2.85Å; V120-V122 HydrophobicContact CG2-CB 4.19Å; V120-V122 HydrophobicContact CG2-CG2 3.97Å; V120-V122 PolarHBondContact O-N 3.48Å; V122-I240 HydrophobicContact CG1-CG2 3.6Å | ||
| 123 | S | 94.8 | Very high | 93.4 | Very high | 37 Ų | 37 | 35.8 Ų | 35.8 | 26% | 0.259 | 20% | 0.201 | S | C | . | . | trans | -63.7 | 137.5 | -175.7 | -57.6 | 0 | 0 | 0 | 0 | 112 | Y161 G162 S242 | S123-Y161 WeakPolarHBondContact CA-O 3.03Å; S123-G162 VanDerWaalsContact OG-CA 3.29Å; S123-G162 WeakPolarHBondContact OG-CA 3.38Å; S123-S242 WeakPolarHBondContact O-CB 3.21Å | ||
| 124 | V | 95.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 173.6 | 178.2 | -64.7 | 0 | 0 | 0 | 0 | 109.6 | I40 L112 D113 G114 N117 I118 Y161 | I40-V124 HydrophobicContact CD1-CG2 3.89Å; L112-V124 HydrophobicContact CD1-CB 4.19Å; L112-V124 HydrophobicContact CD1-CG2 3.85Å; D113-V124 WeakPolarHBondContact O-CA 3.3Å; D113-V124 VanDerWaalsContact O-CB 3.26Å; D113-V124 WeakPolarHBondContact O-CB 3.43Å; G114-V124 WeakPolarHBondContact O-CG1 3.39Å; N117-V124 HydrophobicContact CB-CG1 3.98Å; I118-V124 HydrophobicContact CG1-CG1 3.93Å; I118-V124 HydrophobicContact CG1-CG2 4.35Å; V124-Y161 HydrophobicContact CG2-CD2 4.19Å; V124-Y161 PolarHBondContact N-O 3.47Å; V124-Y161 PolarHBondContact O-N 3.13Å |
| 125 | G | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 159.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | L112 D113 V159 | L112-G125 CarbonylContact C-O 3.31Å; L112-G125 VanDerWaalsContact CA-O 3.25Å; L112-G125 WeakPolarHBondContact CA-O 3.49Å; D113-G125 WeakPolarHBondContact CB-O 3.39Å; D113-G125 PolarHBondContact N-O 2.83Å; D113-G125 PolarHBondContact O-N 3.13Å; D113-G125 VanDerWaalsContact O-N 3.09Å; G125-V159 CarbonylContact C-O 3.59Å; G125-V159 WeakPolarHBondContact CA-O 3.15Å |
| 126 | T | 98.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 136.3 | 169.5 | -60.5 | 0 | 0 | 0 | 0 | 108.5 | L73 D110 P111 Y158 V159 Y161 | L73-T126 HydrophobicContact CD1-CG2 3.59Å; L73-T126 HydrophobicContact CD2-CG2 4.47Å; D110-T126 CarbonylContact O-C 3.52Å; P111-T126 WeakPolarHBondContact O-CB 3.31Å; P111-T126 PolarHBondContact O-OG1 3.34Å; T126-Y158 CarbonylContact O-C 3.53Å; T126-Y158 WeakPolarHBondContact O-CA 3.11Å; T126-Y158 VanDerWaalsContact O-CB 3.31Å; T126-Y158 WeakPolarHBondContact O-CB 3.32Å; T126-V159 PolarHBondContact N-O 3.49Å; T126-V159 PolarHBondContact O-N 2.91Å; T126-Y161 WeakPolarHBondContact OG1-CE2 3.49Å; T126-Y161 PolarHBondContact OG1-OH 3.47Å |
| 127 | I | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 140.3 | 171.7 | -50.5 | 173.4 | 0 | 0 | 0 | 108.7 | M109 D110 D113 L243 V244 Y274 E275 P278 M279 | M109-I127 VanDerWaalsContact CA-O 3.25Å; M109-I127 WeakPolarHBondContact CA-O 3.06Å; M109-I127 WeakPolarHBondContact CB-O 3.44Å; D110-I127 HydrophobicContact CB-CB 4.17Å; D110-I127 HydrophobicContact CB-CD1 4.44Å; D110-I127 HydrophobicContact CB-CG1 4.48Å; D110-I127 PolarHBondContact N-O 3.02Å; D110-I127 PolarHBondContact O-N 3.32Å; D110-I127 VanDerWaalsContact O-O 3.06Å; D113-I127 HydrophobicContact CB-CD1 4.19Å; D113-I127 HydrophobicContact CB-CG1 4.48Å; I127-L243 HydrophobicContact CD1-CD2 3.97Å; I127-V244 HydrophobicContact CD1-CG2 3.66Å; I127-V244 HydrophobicContact CG1-CG2 3.32Å; I127-Y274 VanDerWaalsContact CG2-O 3.26Å; I127-Y274 WeakPolarHBondContact CG2-O 3.3Å; I127-E275 HydrophobicContact CD1-CB 4.41Å; I127-E275 HydrophobicContact CD1-CG 4.23Å; I127-P278 HydrophobicContact CG2-CB 3.75Å; I127-P278 HydrophobicContact CG2-CG 3.37Å; I127-M279 HydrophobicContact CD1-CG 4.32Å; I127-M279 HydrophobicContact CD1-SD 4.41Å; I127-M279 HydrophobicContact CG1-SD 4.49Å; I127-M279 HydrophobicContact CG2-CG 4.35Å; I127-M279 HydrophobicContact CG2-SD 4.13Å |
| 128 | F | 98.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 149 | 176.7 | 65.5 | -91.1 | 0 | 0 | 0 | 112.4 | L26 I29 L108 I130 A156 G157 P278 | L26-F128 HydrophobicContact CD2-CE2 4.16Å; L26-F128 HydrophobicContact CD2-CZ 4.36Å; I29-F128 HydrophobicContact CD1-CB 4.3Å; I29-F128 HydrophobicContact CD1-CD1 4.22Å; I29-F128 HydrophobicContact CD1-CD2 3.47Å; I29-F128 VanDerWaalsContact CD1-CD2 3.47Å; I29-F128 HydrophobicContact CD1-CE1 4.42Å; I29-F128 HydrophobicContact CD1-CE2 3.71Å; I29-F128 HydrophobicContact CD1-CG 3.73Å; I29-F128 HydrophobicContact CD1-CZ 4.18Å; I29-F128 HydrophobicContact CG2-CD1 3.86Å; I29-F128 HydrophobicContact CG2-CE1 3.79Å; I29-F128 HydrophobicContact CG2-CG 4.42Å; I29-F128 HydrophobicContact CG2-CZ 4.29Å; L108-F128 CarbonylContact O-C 3.48Å; L108-F128 WeakPolarHBondContact O-CA 3.15Å; F128-I130 HydrophobicContact CD2-CD1 4.09Å; F128-I130 HydrophobicContact CD2-CG1 4.23Å; F128-I130 HydrophobicContact CE2-CD1 4.13Å; F128-A156 WeakPolarHBondContact O-CA 3.46Å; F128-G157 VanDerWaalsContact CD1-O 3.3Å; F128-G157 WeakPolarHBondContact CD1-O 3.48Å; F128-G157 VanDerWaalsContact CZ-CA 3.4Å; F128-G157 PolarHBondContact N-O 3.05Å; F128-G157 PolarHBondContact O-N 2.74Å; F128-P278 WeakPolarHBondContact O-CB 3.47Å |
| 129 | S | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 139.3 | 177.2 | -174 | 0 | 0 | 0 | 0 | 109.6 | V107 L108 Y131 Q153 | V107-S129 WeakPolarHBondContact CA-O 3.32Å; L108-S129 PolarHBondContact N-O 3.4Å; L108-S129 PolarHBondContact O-N 3.4Å; S129-Y131 WeakPolarHBondContact OG-CE2 3.21Å; S129-Q153 WeakPolarHBondContact OG-CG 3.35Å; S129-Q153 PolarHBondContact OG-OE1 3.34Å |
| 130 | I | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 126.9 | -174.4 | -55.7 | 165.1 | 0 | 0 | 0 | 108.4 | L22 L25 L26 I29 Y105 V107 F128 Q153 V154 A155 | L22-I130 HydrophobicContact CD1-CD1 4.18Å; L22-I130 HydrophobicContact CD1-CG2 4.42Å; L25-I130 HydrophobicContact CD1-CD1 4.24Å; L25-I130 HydrophobicContact CD1-CG1 4.4Å; L25-I130 HydrophobicContact CD1-CG2 3.71Å; L25-I130 HydrophobicContact CD2-CD1 3.37Å; L25-I130 HydrophobicContact CD2-CG1 3.96Å; L25-I130 HydrophobicContact CG-CD1 4.41Å; L26-I130 HydrophobicContact CD2-CD1 4.35Å; I29-I130 HydrophobicContact CD1-CD1 4.17Å; Y105-I130 HydrophobicContact CD1-CG2 4.01Å; Y105-I130 HydrophobicContact CG-CG2 4.49Å; V107-I130 HydrophobicContact CG2-CG1 4.34Å; F128-I130 HydrophobicContact CD2-CD1 4.09Å; F128-I130 HydrophobicContact CD2-CG1 4.23Å; F128-I130 HydrophobicContact CE2-CD1 4.13Å; I130-Q153 WeakPolarHBondContact O-CA 3.29Å; I130-V154 HydrophobicContact CB-CG2 4.07Å; I130-V154 HydrophobicContact CG2-CG2 3.63Å; I130-V154 VanDerWaalsContact O-CG2 3.25Å; I130-V154 WeakPolarHBondContact O-CG2 3.21Å; I130-V154 PolarHBondContact O-N 2.58Å; I130-A155 HydrophobicContact CB-CB 4.24Å; I130-A155 WeakPolarHBondContact CB-O 3.13Å; I130-A155 HydrophobicContact CD1-CB 3.86Å; I130-A155 HydrophobicContact CG1-CB 4.49Å; I130-A155 PolarHBondContact N-O 2.88Å; I130-A155 PolarHBondContact O-N 2.86Å |
| 131 | Y | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 158.6 | 175.8 | -64 | -102.4 | 0 | 0 | 0 | 110.4 | Y105 V106 L108 S129 Q148 K152 Q153 | Y105-Y131 VanDerWaalsContact CA-O 3.27Å; Y105-Y131 WeakPolarHBondContact CA-O 3.13Å; Y105-Y131 WeakPolarHBondContact CD1-O 3.16Å; V106-Y131 PolarHBondContact N-O 3.08Å; V106-Y131 PolarHBondContact O-N 3.07Å; V106-Y131 VanDerWaalsContact O-N 3.07Å; L108-Y131 HydrophobicContact CD1-CD2 3.45Å; L108-Y131 VanDerWaalsContact CD1-CD2 3.45Å; L108-Y131 HydrophobicContact CD1-CE2 3.66Å; S129-Y131 WeakPolarHBondContact OG-CE2 3.21Å; Y131-Q148 HydrophobicContact CD1-CB 3.86Å; Y131-Q148 HydrophobicContact CE1-CB 3.9Å; Y131-K152 HydrophobicContact CD1-CB 3.98Å; Y131-K152 HydrophobicContact CE1-CB 4.09Å; Y131-Q153 HydrophobicContact CD1-CG 4.23Å; Y131-Q153 HydrophobicContact CD2-CG 4.4Å; Y131-Q153 HydrophobicContact CE1-CB 4.29Å; Y131-Q153 HydrophobicContact CE1-CG 3.47Å; Y131-Q153 VanDerWaalsContact CE1-CG 3.47Å; Y131-Q153 HydrophobicContact CE2-CG 3.7Å; Y131-Q153 WeakPolarHBondContact OH-CG 3.42Å |
| 132 | R | 96.4 | Very high | 96.5 | Very high | 108 Ų | 108 | 35.7 Ų | 35.7 | 41% | 0.408 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 140.5 | 159.2 | -66.2 | -177.2 | -178 | -74.9 | 1.2 | 108 | K104 Y105 Q148 V154 | K104-R132 WeakPolarHBondContact O-CA 3.35Å; Y105-R132 HydrophobicContact CD1-CG 4.23Å; Y105-R132 HydrophobicContact CE1-CG 3.93Å; Y105-R132 PolarHBondContact OH-NH1 2.83Å; Y105-R132 VanDerWaalsContact OH-NH1 3.14Å; Y105-R132 PolarHBondContact OH-NH2 3.49Å; R132-Q148 PolarHBondContact O-NE2 3.21Å; R132-V154 HydrophobicContact CG-CG1 3.93Å |
| 133 | R | 96.9 | Very high | 96.7 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | trans | -60.5 | 145.5 | 169 | 69.5 | -179.3 | -65.6 | 177.7 | 1.7 | 110.2 | E101 A103 K104 V106 T135 P136 T139 P140 V141 D145 | E101-R133 PolarHBondContact O-NH1 3.26Å; A103-R133 WeakPolarHBondContact O-CD 3.4Å; K104-R133 PolarHBondContact O-N 3.48Å; V106-R133 HydrophobicContact CG1-CB 4.37Å; R133-T135 VanDerWaalsContact CZ-OG1 3.31Å; R133-T135 PolarHBondContact NE-O 3.45Å; R133-T135 VanDerWaalsContact NE-O 3.09Å; R133-T135 PolarHBondContact NE-OG1 3.39Å; R133-T135 PolarHBondContact NH2-OG1 2.91Å; R133-P136 PolarHBondContact NH2-O 3.05Å; R133-T139 PolarHBondContact NH1-O 3.02Å; R133-T139 PolarHBondContact NH2-O 3.07Å; R133-T139 PolarHBondContact NH2-OG1 3.27Å; R133-P140 PolarHBondContact NH2-O 2.97Å; R133-P140 VanDerWaalsContact NH2-O 3.12Å; R133-V141 HydrophobicContact CB-CG1 4.49Å; R133-D145 WeakPolarHBondContact CA-OD1 3.39Å; R133-D145 HydrophobicContact CB-CB 4.4Å; R133-D145 VanDerWaalsContact CB-OD1 3.29Å; R133-D145 WeakPolarHBondContact CB-OD1 3.31Å | ||
| 134 | V | 97.4 | Very high | 96.8 | Very high | 68 Ų | 68 | 42.2 Ų | 42.2 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -93.1 | -31.2 | 174.7 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | E144 D145 Q148 | V134-E144 HydrophobicContact CG2-CB 4.2Å; V134-E144 HydrophobicContact CG2-CG 3.88Å; V134-D145 WeakPolarHBondContact CG2-OD1 3.44Å; V134-D145 PolarHBondContact N-OD1 2.79Å; V134-Q148 VanDerWaalsContact CG1-CD 3.41Å; V134-Q148 HydrophobicContact CG1-CG 3.98Å |
| 135 | T | 97.3 | Very high | 96.9 | Very high | 17 Ų | 17 | 42.1 Ų | 42.1 | 10% | 0.104 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -64.9 | 146.6 | 173.7 | 54.9 | 0 | 0 | 0 | 0 | 110.4 | R133 V137 T142 D145 | R133-T135 VanDerWaalsContact CZ-OG1 3.31Å; R133-T135 PolarHBondContact NE-O 3.45Å; R133-T135 VanDerWaalsContact NE-O 3.09Å; R133-T135 PolarHBondContact NE-OG1 3.39Å; R133-T135 PolarHBondContact NH2-OG1 2.91Å; T135-V137 PolarHBondContact O-N 3.09Å; T135-T142 HydrophobicContact CG2-CG2 4.21Å; T135-T142 WeakPolarHBondContact CG2-OG1 3.17Å; T135-D145 VanDerWaalsContact CG2-OD2 3.22Å; T135-D145 WeakPolarHBondContact CG2-OD2 3.41Å; T135-D145 PolarHBondContact N-OD1 2.72Å; T135-D145 PolarHBondContact OG1-OD1 3.1Å; T135-D145 PolarHBondContact OG1-OD2 2.73Å |
| 136 | P | 96.8 | Very high | 97 | Very high | 92 Ų | 92 | 42.1 Ų | 42.1 | 60% | 0.597 | 24% | 0.241 | S | C | * | . | P | Polyproline II helix | trans | -58.6 | 137.3 | -178.2 | -24.8 | 34.7 | 0 | 0 | 0 | 113.1 | R133 G138 T139 | R133-P136 PolarHBondContact NH2-O 3.05Å; P136-G138 PolarHBondContact O-N 3.3Å; P136-T139 HydrophobicContact CB-CG2 4.21Å; P136-T139 PolarHBondContact O-N 2.67Å; P136-T139 VanDerWaalsContact O-N 3.1Å; P136-T139 PolarHBondContact O-OG1 2.86Å |
| 137 | V | 95.6 | Very high | 97 | Very high | 85 Ų | 85 | 44 Ų | 44 | 52% | 0.515 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 134.8 | 172.7 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | H102 K104 T135 | H102-V137 WeakPolarHBondContact O-CG1 3.47Å; K104-V137 HydrophobicContact CG-CG2 4.21Å; T135-V137 PolarHBondContact O-N 3.09Å |
| 138 | G | 94.5 | Very high | 97 | Very high | 54 Ų | 54 | 45 Ų | 45 | 56% | 0.557 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.6 | -6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E101 P136 | E101-G138 WeakPolarHBondContact O-CA 3.25Å; E101-G138 PolarHBondContact O-N 3.12Å; P136-G138 PolarHBondContact O-N 3.3Å |
| 139 | T | 94.9 | Very high | 97 | Very high | 53 Ų | 53 | 46.1 Ų | 46.1 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -101.4 | 164.2 | 169.2 | 73.9 | 0 | 0 | 0 | 0 | 111 | R133 P136 | R133-T139 PolarHBondContact NH1-O 3.02Å; R133-T139 PolarHBondContact NH2-O 3.07Å; R133-T139 PolarHBondContact NH2-OG1 3.27Å; P136-T139 HydrophobicContact CB-CG2 4.21Å; P136-T139 PolarHBondContact O-N 2.67Å; P136-T139 VanDerWaalsContact O-N 3.1Å; P136-T139 PolarHBondContact O-OG1 2.86Å |
| 140 | P | 92.8 | Very high | 97 | Very high | 86 Ų | 86 | 46.1 Ų | 46.1 | 56% | 0.558 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 148.1 | 164.4 | -22.4 | 34.6 | 0 | 0 | 0 | 110.8 | R133 | R133-P140 PolarHBondContact NH2-O 2.97Å; R133-P140 VanDerWaalsContact NH2-O 3.12Å |
| 141 | V | 96.2 | Very high | 97 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 154.5 | 167.9 | -73.3 | 0 | 0 | 0 | 0 | 110.5 | A84 V96 V106 R133 D145 | A84-V141 HydrophobicContact CB-CG1 3.41Å; A84-V141 VanDerWaalsContact CB-CG1 3.41Å; V96-V141 HydrophobicContact CB-CG2 4.27Å; V96-V141 HydrophobicContact CG1-CG2 3.82Å; V96-V141 HydrophobicContact CG2-CG2 3.84Å; V106-V141 HydrophobicContact CG1-CG1 4.09Å; R133-V141 HydrophobicContact CB-CG1 4.49Å; V141-D145 WeakPolarHBondContact CA-OD2 3.36Å; V141-D145 HydrophobicContact CB-CB 4.46Å; V141-D145 WeakPolarHBondContact CB-OD2 3.45Å; V141-D145 HydrophobicContact CG1-CB 4.49Å; V141-D145 WeakPolarHBondContact CG1-OD2 3.1Å |
| 142 | T | 96.7 | Very high | 97 | Very high | 61 Ų | 61 | 55.4 Ų | 55.4 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | trans | -127.2 | 173 | 176 | 66.3 | 0 | 0 | 0 | 0 | 109.8 | T135 E144 D145 F146 | T135-T142 HydrophobicContact CG2-CG2 4.21Å; T135-T142 WeakPolarHBondContact CG2-OG1 3.17Å; T142-E144 PolarHBondContact O-N 2.72Å; T142-E144 VanDerWaalsContact O-N 3.15Å; T142-E144 PolarHBondContact OG1-N 3.4Å; T142-D145 PolarHBondContact N-OD2 2.84Å; T142-D145 WeakPolarHBondContact O-CB 3.25Å; T142-D145 PolarHBondContact O-N 3.24Å; T142-F146 WeakPolarHBondContact O-CD2 2.92Å | ||
| 143 | E | 97.3 | Very high | 97.1 | Very high | 97 Ų | 97 | 50.9 Ų | 50.9 | 45% | 0.453 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -56.7 | -28.5 | 175 | -72.2 | -173.7 | -134.4 | 0 | 0 | 113.1 | I94 D145 F146 L147 L305 | I94-E143 HydrophobicContact CD1-CG 4.22Å; I94-E143 HydrophobicContact CG1-CG 4.46Å; I94-E143 HydrophobicContact CG2-CG 4.24Å; E143-D145 PolarHBondContact O-N 2.86Å; E143-F146 WeakPolarHBondContact O-CA 3.26Å; E143-F146 PolarHBondContact O-N 2.98Å; E143-L147 HydrophobicContact CB-CD1 4.38Å; E143-L147 WeakPolarHBondContact O-CG 3.49Å; E143-L147 PolarHBondContact O-N 3.27Å; E143-L305 HydrophobicContact CG-CD1 4.24Å |
| 144 | E | 97.4 | Very high | 97.1 | Very high | 129 Ų | 129 | 51.7 Ų | 51.7 | 60% | 0.603 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -59.3 | -29.4 | 177.2 | -161.3 | -172.2 | 165.9 | 0 | 0 | 112.5 | V134 T142 F146 | V134-E144 HydrophobicContact CG2-CB 4.2Å; V134-E144 HydrophobicContact CG2-CG 3.88Å; T142-E144 PolarHBondContact O-N 2.72Å; T142-E144 VanDerWaalsContact O-N 3.15Å; T142-E144 PolarHBondContact OG1-N 3.4Å; E144-F146 PolarHBondContact O-N 2.86Å |
| 145 | D | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -64 | -23.3 | 174.4 | -66.2 | -59.6 | 0 | 0 | 0 | 112.9 | V106 R133 V134 T135 V141 T142 E143 Q148 | V106-D145 HydrophobicContact CG1-CB 4.06Å; V106-D145 HydrophobicContact CG2-CB 4.47Å; V106-D145 WeakPolarHBondContact CG2-O 3.42Å; R133-D145 WeakPolarHBondContact CA-OD1 3.39Å; R133-D145 HydrophobicContact CB-CB 4.4Å; R133-D145 VanDerWaalsContact CB-OD1 3.29Å; R133-D145 WeakPolarHBondContact CB-OD1 3.31Å; V134-D145 WeakPolarHBondContact CG2-OD1 3.44Å; V134-D145 PolarHBondContact N-OD1 2.79Å; T135-D145 VanDerWaalsContact CG2-OD2 3.22Å; T135-D145 WeakPolarHBondContact CG2-OD2 3.41Å; T135-D145 PolarHBondContact N-OD1 2.72Å; T135-D145 PolarHBondContact OG1-OD1 3.1Å; T135-D145 PolarHBondContact OG1-OD2 2.73Å; V141-D145 WeakPolarHBondContact CA-OD2 3.36Å; V141-D145 HydrophobicContact CB-CB 4.46Å; V141-D145 WeakPolarHBondContact CB-OD2 3.45Å; V141-D145 HydrophobicContact CG1-CB 4.49Å; V141-D145 WeakPolarHBondContact CG1-OD2 3.1Å; T142-D145 PolarHBondContact N-OD2 2.84Å; T142-D145 WeakPolarHBondContact O-CB 3.25Å; T142-D145 PolarHBondContact O-N 3.24Å; E143-D145 PolarHBondContact O-N 2.86Å; D145-Q148 PolarHBondContact O-NE2 3.09Å |
| 146 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -28.3 | -176.9 | -57.7 | -92.5 | 0 | 0 | 0 | 112.2 | A87 I94 V106 L108 T142 E143 E144 Q148 L305 | A87-F146 HydrophobicContact CB-CD1 3.59Å; A87-F146 HydrophobicContact CB-CE1 4.04Å; A87-F146 HydrophobicContact CB-CG 4.18Å; I94-F146 HydrophobicContact CB-CD2 4.27Å; I94-F146 HydrophobicContact CB-CE2 3.93Å; I94-F146 HydrophobicContact CB-CZ 4.26Å; I94-F146 HydrophobicContact CD1-CD2 4.21Å; I94-F146 HydrophobicContact CD1-CE2 3.8Å; I94-F146 HydrophobicContact CG1-CE2 4.47Å; I94-F146 HydrophobicContact CG2-CD1 4.47Å; I94-F146 HydrophobicContact CG2-CD2 3.56Å; I94-F146 HydrophobicContact CG2-CE2 3.75Å; I94-F146 HydrophobicContact CG2-CG 3.95Å; I94-F146 HydrophobicContact CG2-CZ 4.27Å; V106-F146 HydrophobicContact CB-CD1 4.13Å; V106-F146 HydrophobicContact CB-CE1 3.59Å; V106-F146 HydrophobicContact CB-CZ 3.87Å; V106-F146 HydrophobicContact CG1-CE1 4.02Å; V106-F146 HydrophobicContact CG1-CE2 4.22Å; V106-F146 HydrophobicContact CG1-CZ 3.75Å; V106-F146 HydrophobicContact CG2-CD1 4.21Å; V106-F146 HydrophobicContact CG2-CE1 4.18Å; L108-F146 HydrophobicContact CD1-CD1 3.87Å; L108-F146 HydrophobicContact CD2-CB 4.21Å; L108-F146 HydrophobicContact CD2-CD1 4.39Å; L108-F146 HydrophobicContact CG-CD1 3.92Å; T142-F146 WeakPolarHBondContact O-CD2 2.92Å; E143-F146 WeakPolarHBondContact O-CA 3.26Å; E143-F146 PolarHBondContact O-N 2.98Å; E144-F146 PolarHBondContact O-N 2.86Å; F146-Q148 PolarHBondContact O-N 3.28Å; F146-L305 HydrophobicContact CB-CD2 3.75Å |
| 147 | L | 98.5 | Very high | 97.2 | Very high | 42 Ų | 42 | 43.3 Ų | 43.3 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | trans | -80.6 | 55.4 | 178 | -61.7 | 177.5 | 0 | 0 | 0 | 112.4 | E143 L273 P302 T304 L305 | E143-L147 HydrophobicContact CB-CD1 4.38Å; E143-L147 WeakPolarHBondContact O-CG 3.49Å; E143-L147 PolarHBondContact O-N 3.27Å; L147-L273 HydrophobicContact CD2-CD1 4.19Å; L147-P302 HydrophobicContact CD2-CB 4.13Å; L147-T304 VanDerWaalsContact CD2-C 3.41Å; L147-L305 HydrophobicContact CD2-CD2 4.22Å | ||
| 148 | Q | 98.6 | Very high | 97.3 | Very high | 20 Ų | 20 | 39.2 Ų | 39.2 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | trans | -108.6 | 144.6 | 178.6 | -64.6 | -175 | 67.7 | 0 | 0 | 111.5 | Y131 R132 V134 D145 F146 K152 P302 | Y131-Q148 HydrophobicContact CD1-CB 3.86Å; Y131-Q148 HydrophobicContact CE1-CB 3.9Å; R132-Q148 PolarHBondContact O-NE2 3.21Å; V134-Q148 VanDerWaalsContact CG1-CD 3.41Å; V134-Q148 HydrophobicContact CG1-CG 3.98Å; D145-Q148 PolarHBondContact O-NE2 3.09Å; F146-Q148 PolarHBondContact O-N 3.28Å; Q148-K152 HydrophobicContact CB-CB 4.37Å; Q148-P302 VanDerWaalsContact O-CG 3.3Å; Q148-P302 WeakPolarHBondContact O-CG 3.39Å | ||
| 149 | P | 98.5 | Very high | 97.5 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 18% | 0.175 | 19% | 0.194 | C | C | . | . | trans | -63.3 | 147 | 174.7 | 24.4 | -29.9 | 0 | 0 | 0 | 111.1 | N151 K152 I300 | P149-N151 PolarHBondContact O-N 3.13Å; P149-K152 HydrophobicContact CG-CG 3.92Å; P149-K152 WeakPolarHBondContact O-CB 3.5Å; P149-K152 PolarHBondContact O-N 3.46Å; P149-I300 WeakPolarHBondContact CA-O 3.36Å; P149-I300 WeakPolarHBondContact CB-O 3.21Å | ||
| 150 | G | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -57.5 | -24.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K152 Q153 L298 | G150-K152 PolarHBondContact O-N 3.02Å; G150-Q153 WeakPolarHBondContact O-CB 3.19Å; G150-Q153 WeakPolarHBondContact O-CG 3.4Å; G150-Q153 PolarHBondContact O-N 3.5Å; G150-Q153 PolarHBondContact O-NE2 3Å; G150-L298 CarbonylContact C-O 3.54Å; G150-L298 PolarHBondContact N-O 3.27Å; G150-L298 VanDerWaalsContact N-O 3.17Å |
| 151 | N | 98.3 | Very high | 97.8 | Very high | 72 Ų | 72 | 31 Ų | 31 | 39% | 0.385 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -69.1 | -6.9 | 175.8 | 67.5 | 29.1 | 0 | 0 | 0 | 113.9 | P149 L298 D299 | P149-N151 PolarHBondContact O-N 3.13Å; N151-L298 HydrophobicContact CB-CB 4.21Å; N151-L298 WeakPolarHBondContact CB-O 3.13Å; N151-L298 PolarHBondContact N-O 3.38Å; N151-L298 PolarHBondContact ND2-O 2.94Å; N151-D299 PolarHBondContact ND2-OD1 2.79Å |
| 152 | K | 98.3 | Very high | 97.7 | Very high | 122 Ų | 122 | 31.7 Ų | 31.7 | 53% | 0.53 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -92.8 | -3.8 | 174.3 | -58.7 | -60.7 | 178.2 | -178.4 | 0 | 114.3 | Y131 Q148 P149 G150 V154 | Y131-K152 HydrophobicContact CD1-CB 3.98Å; Y131-K152 HydrophobicContact CE1-CB 4.09Å; Q148-K152 HydrophobicContact CB-CB 4.37Å; P149-K152 HydrophobicContact CG-CG 3.92Å; P149-K152 WeakPolarHBondContact O-CB 3.5Å; P149-K152 PolarHBondContact O-N 3.46Å; G150-K152 PolarHBondContact O-N 3.02Å; K152-V154 PolarHBondContact O-N 2.95Å |
| 153 | Q | 98.1 | Very high | 97.4 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | trans | -56.6 | 132.8 | 174.7 | -69.4 | 174.2 | 93.2 | 0 | 0 | 110.7 | S129 I130 Y131 G150 N277 P278 F281 | S129-Q153 WeakPolarHBondContact OG-CG 3.35Å; S129-Q153 PolarHBondContact OG-OE1 3.34Å; I130-Q153 WeakPolarHBondContact O-CA 3.29Å; Y131-Q153 HydrophobicContact CD1-CG 4.23Å; Y131-Q153 HydrophobicContact CD2-CG 4.4Å; Y131-Q153 HydrophobicContact CE1-CB 4.29Å; Y131-Q153 HydrophobicContact CE1-CG 3.47Å; Y131-Q153 VanDerWaalsContact CE1-CG 3.47Å; Y131-Q153 HydrophobicContact CE2-CG 3.7Å; Y131-Q153 WeakPolarHBondContact OH-CG 3.42Å; G150-Q153 WeakPolarHBondContact O-CB 3.19Å; G150-Q153 WeakPolarHBondContact O-CG 3.4Å; G150-Q153 PolarHBondContact O-N 3.5Å; G150-Q153 PolarHBondContact O-NE2 3Å; Q153-N277 PolarHBondContact NE2-O 3.02Å; Q153-P278 VanDerWaalsContact OE1-CA 3.29Å; Q153-F281 HydrophobicContact CB-CD1 3.64Å; Q153-F281 HydrophobicContact CB-CE1 3.8Å; Q153-F281 HydrophobicContact CG-CD1 4.49Å | ||
| 154 | V | 95.9 | Very high | 97.3 | Very high | 37 Ų | 37 | 33.5 Ų | 33.5 | 22% | 0.224 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -89.6 | -25.9 | 170.7 | -65.7 | 0 | 0 | 0 | 0 | 112 | Y105 I130 R132 K152 T171 | Y105-V154 HydrophobicContact CD1-CG2 4.16Å; Y105-V154 HydrophobicContact CE1-CG2 3.96Å; I130-V154 HydrophobicContact CB-CG2 4.07Å; I130-V154 HydrophobicContact CG2-CG2 3.63Å; I130-V154 VanDerWaalsContact O-CG2 3.25Å; I130-V154 WeakPolarHBondContact O-CG2 3.21Å; I130-V154 PolarHBondContact O-N 2.58Å; R132-V154 HydrophobicContact CG-CG1 3.93Å; K152-V154 PolarHBondContact O-N 2.95Å; V154-T171 WeakPolarHBondContact O-CA 3.19Å |
| 155 | A | 96.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 152 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | L22 I130 T170 T171 | L22-A155 HydrophobicContact CD1-CB 4.28Å; I130-A155 HydrophobicContact CB-CB 4.24Å; I130-A155 WeakPolarHBondContact CB-O 3.13Å; I130-A155 HydrophobicContact CD1-CB 3.86Å; I130-A155 HydrophobicContact CG1-CB 4.49Å; I130-A155 PolarHBondContact N-O 2.88Å; I130-A155 PolarHBondContact O-N 2.86Å; A155-T170 WeakPolarHBondContact CA-O 3.46Å; A155-T170 WeakPolarHBondContact CB-O 3.13Å; A155-T171 HydrophobicContact CB-CG2 4.01Å |
| 156 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 158.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | F128 Y169 T170 P278 F281 | F128-A156 WeakPolarHBondContact O-CA 3.46Å; A156-Y169 CarbonylContact O-C 3.59Å; A156-Y169 VanDerWaalsContact O-CA 3.29Å; A156-Y169 WeakPolarHBondContact O-CA 3.16Å; A156-Y169 WeakPolarHBondContact O-CB 3.28Å; A156-T170 PolarHBondContact N-O 3.32Å; A156-T170 PolarHBondContact O-N 2.81Å; A156-P278 HydrophobicContact CB-CB 3.77Å; A156-F281 HydrophobicContact CB-CB 4.29Å; A156-F281 HydrophobicContact CB-CD1 3.73Å; A156-F281 HydrophobicContact CB-CG 4.46Å |
| 157 | G | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.7 | 177.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F128 V168 | F128-G157 VanDerWaalsContact CD1-O 3.3Å; F128-G157 WeakPolarHBondContact CD1-O 3.48Å; F128-G157 VanDerWaalsContact CZ-CA 3.4Å; F128-G157 PolarHBondContact N-O 3.05Å; F128-G157 PolarHBondContact O-N 2.74Å; G157-V168 CarbonylContact C-O 3.48Å; G157-V168 WeakPolarHBondContact CA-O 3.48Å |
| 158 | Y | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 160.1 | 168.8 | 61.8 | -92.8 | 0 | 0 | 0 | 110.8 | T126 V160 V168 V244 F247 H248 M279 L282 | T126-Y158 CarbonylContact O-C 3.53Å; T126-Y158 WeakPolarHBondContact O-CA 3.11Å; T126-Y158 VanDerWaalsContact O-CB 3.31Å; T126-Y158 WeakPolarHBondContact O-CB 3.32Å; Y158-V160 HydrophobicContact CD2-CB 4.36Å; Y158-V160 HydrophobicContact CE2-CB 4.41Å; Y158-V160 HydrophobicContact CE2-CG1 4.3Å; Y158-V168 HydrophobicContact CD1-CB 4.34Å; Y158-V168 HydrophobicContact CD2-CB 4.31Å; Y158-V168 HydrophobicContact CD2-CG2 4.44Å; Y158-V168 HydrophobicContact CE1-CB 3.79Å; Y158-V168 HydrophobicContact CE1-CG1 3.96Å; Y158-V168 HydrophobicContact CE1-CG2 4.44Å; Y158-V168 HydrophobicContact CE2-CB 3.78Å; Y158-V168 HydrophobicContact CE2-CG2 3.63Å; Y158-V168 VanDerWaalsContact CZ-CB 3.48Å; Y158-V168 PolarHBondContact N-O 2.83Å; Y158-V168 PolarHBondContact O-N 2.8Å; Y158-V244 HydrophobicContact CD2-CG1 3.53Å; Y158-V244 HydrophobicContact CE2-CG1 4.21Å; Y158-V244 HydrophobicContact CG-CG1 4.01Å; Y158-F247 HydrophobicContact CD1-CD1 4.49Å; Y158-F247 AromaticContact CE1-CD1 3.78Å; Y158-F247 HydrophobicContact CE1-CD1 3.78Å; Y158-F247 AromaticContact CE1-CE1 3.72Å; Y158-F247 HydrophobicContact CE1-CE1 3.72Å; Y158-H248 HydrophobicContact CE2-CB 4.03Å; Y158-H248 AromaticContact CE2-ND1 3.56Å; Y158-H248 AromaticContact CZ-ND1 3.64Å; Y158-H248 PolarHBondContact OH-ND1 2.8Å; Y158-M279 HydrophobicContact CD1-CE 4.04Å; Y158-M279 HydrophobicContact CD1-SD 3.92Å; Y158-M279 HydrophobicContact CE1-CE 4.4Å; Y158-L282 HydrophobicContact CD1-CD1 3.45Å; Y158-L282 VanDerWaalsContact CD1-CD1 3.45Å; Y158-L282 HydrophobicContact CE1-CD1 3.79Å |
| 159 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121 | 165.3 | -176.6 | 0 | 0 | 0 | 0 | 107.3 | A33 G125 T126 Y161 T165 M166 L167 | A33-V159 HydrophobicContact CB-CB 4.46Å; A33-V159 HydrophobicContact CB-CG1 4.08Å; A33-V159 HydrophobicContact CB-CG2 3.89Å; G125-V159 CarbonylContact C-O 3.59Å; G125-V159 WeakPolarHBondContact CA-O 3.15Å; T126-V159 PolarHBondContact N-O 3.49Å; T126-V159 PolarHBondContact O-N 2.91Å; V159-Y161 HydrophobicContact CB-CE1 4.44Å; V159-Y161 HydrophobicContact CB-CE2 4.49Å; V159-Y161 HydrophobicContact CG1-CD1 4.13Å; V159-Y161 HydrophobicContact CG1-CE1 3.55Å; V159-Y161 HydrophobicContact CG1-CE2 4.34Å; V159-T165 HydrophobicContact CG1-CG2 3.69Å; V159-M166 CarbonylContact C-O 3.44Å; V159-M166 WeakPolarHBondContact CA-O 3.38Å; V159-L167 HydrophobicContact CG2-CB 4.16Å; V159-L167 HydrophobicContact CG2-CD1 4.19Å; V159-L167 HydrophobicContact CG2-CG 4.02Å |
| 160 | V | 98 | Very high | 97.2 | Very high | 9 Ų | 9 | 25 Ų | 25 | 6% | 0.055 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128.1 | 172.2 | 58.8 | 0 | 0 | 0 | 0 | 109.5 | Y158 T165 M166 V244 | Y158-V160 HydrophobicContact CD2-CB 4.36Å; Y158-V160 HydrophobicContact CE2-CB 4.41Å; Y158-V160 HydrophobicContact CE2-CG1 4.3Å; V160-T165 VanDerWaalsContact O-CA 3.26Å; V160-T165 WeakPolarHBondContact O-CA 3.37Å; V160-M166 HydrophobicContact CG1-CB 3.79Å; V160-M166 HydrophobicContact CG1-CG 4.47Å; V160-M166 PolarHBondContact N-O 2.82Å; V160-M166 PolarHBondContact O-N 2.98Å; V160-V244 HydrophobicContact CB-CG1 3.81Å; V160-V244 HydrophobicContact CG2-CG1 4.22Å |
| 161 | Y | 96.3 | Very high | 97 | Very high | 11 Ų | 11 | 26.4 Ų | 26.4 | 4% | 0.043 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 85.4 | 173.7 | -48.4 | -78.3 | 0 | 0 | 0 | 108.6 | I36 H37 I40 L112 S123 V124 T126 V159 T165 | I36-Y161 HydrophobicContact CB-CE1 4.2Å; I36-Y161 HydrophobicContact CG2-CD2 4.39Å; I36-Y161 HydrophobicContact CG2-CE1 3.89Å; I36-Y161 HydrophobicContact CG2-CE2 3.71Å; I36-Y161 VanDerWaalsContact CG2-CZ 3.44Å; H37-Y161 HydrophobicContact CB-CD1 4.09Å; H37-Y161 HydrophobicContact CB-CE1 4.15Å; I40-Y161 HydrophobicContact CD1-CD1 4.09Å; I40-Y161 HydrophobicContact CD1-CD2 3.52Å; I40-Y161 HydrophobicContact CD1-CE2 4.05Å; I40-Y161 HydrophobicContact CD1-CG 3.55Å; L112-Y161 HydrophobicContact CD1-CD2 4.17Å; L112-Y161 HydrophobicContact CD1-CE2 4.07Å; S123-Y161 WeakPolarHBondContact CA-O 3.03Å; V124-Y161 HydrophobicContact CG2-CD2 4.19Å; V124-Y161 PolarHBondContact N-O 3.47Å; V124-Y161 PolarHBondContact O-N 3.13Å; T126-Y161 WeakPolarHBondContact OG1-CE2 3.49Å; T126-Y161 PolarHBondContact OG1-OH 3.47Å; V159-Y161 HydrophobicContact CB-CE1 4.44Å; V159-Y161 HydrophobicContact CB-CE2 4.49Å; V159-Y161 HydrophobicContact CG1-CD1 4.13Å; V159-Y161 HydrophobicContact CG1-CE1 3.55Å; V159-Y161 HydrophobicContact CG1-CE2 4.34Å; Y161-T165 HydrophobicContact CD1-CG2 3.81Å; Y161-T165 HydrophobicContact CE1-CG2 4.04Å |
| 162 | G | 93 | Very high | 96.8 | Very high | 25 Ų | 25 | 24.4 Ų | 24.4 | 26% | 0.258 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -124.8 | -143.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S123 S164 | S123-G162 VanDerWaalsContact OG-CA 3.29Å; S123-G162 WeakPolarHBondContact OG-CA 3.38Å; G162-S164 CarbonylContact C-O 3.48Å; G162-S164 PolarHBondContact N-O 2.78Å; G162-S164 PolarHBondContact O-N 3.27Å |
| 163 | S | 92.2 | Very high | 96.5 | Very high | 143 Ų | 143 | 21.2 Ų | 21.2 | 100% | 1 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -55.2 | -26.4 | 175.4 | -50.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 164 | S | 93.9 | Very high | 96.4 | Very high | 53 Ų | 53 | 21.1 Ų | 21.1 | 37% | 0.371 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -135.2 | 155.9 | 161 | 70.8 | 0 | 0 | 0 | 0 | 108.5 | G162 | G162-S164 CarbonylContact C-O 3.48Å; G162-S164 PolarHBondContact N-O 2.78Å; G162-S164 PolarHBondContact O-N 3.27Å |
| 165 | T | 97.5 | Very high | 96.5 | Very high | 6 Ų | 6 | 19.3 Ų | 19.3 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124 | 171 | -68.6 | 0 | 0 | 0 | 0 | 109.8 | H37 V159 V160 Y161 Y180 F187 | H37-T165 HydrophobicContact CB-CG2 4.4Å; H37-T165 PolarHBondContact ND1-OG1 3.02Å; V159-T165 HydrophobicContact CG1-CG2 3.69Å; V160-T165 VanDerWaalsContact O-CA 3.26Å; V160-T165 WeakPolarHBondContact O-CA 3.37Å; Y161-T165 HydrophobicContact CD1-CG2 3.81Å; Y161-T165 HydrophobicContact CE1-CG2 4.04Å; T165-Y180 WeakPolarHBondContact O-CB 3.32Å; T165-Y180 PolarHBondContact O-N 3.47Å; T165-F187 HydrophobicContact CG2-CE1 4.14Å; T165-F187 HydrophobicContact CG2-CZ 4.04Å |
| 166 | M | 98.1 | Very high | 96.6 | Very high | 25 Ų | 25 | 19.6 Ų | 19.6 | 12% | 0.123 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133.7 | -179.4 | -60.4 | 177.7 | 62.4 | 0 | 0 | 110.8 | V159 V160 A177 F178 | V159-M166 CarbonylContact C-O 3.44Å; V159-M166 WeakPolarHBondContact CA-O 3.38Å; V160-M166 HydrophobicContact CG1-CB 3.79Å; V160-M166 HydrophobicContact CG1-CG 4.47Å; V160-M166 PolarHBondContact N-O 2.82Å; V160-M166 PolarHBondContact O-N 2.98Å; M166-A177 HydrophobicContact CE-CB 4.06Å; M166-F178 CarbonylContact C-O 3.56Å; M166-F178 WeakPolarHBondContact CA-O 3.25Å |
| 167 | L | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 124.2 | 169.3 | -176 | 159.3 | 0 | 0 | 0 | 107.8 | L4 V159 Y169 A177 F178 F187 | L4-L167 HydrophobicContact CD2-CD1 4.07Å; L4-L167 HydrophobicContact CD2-CD2 4.38Å; V159-L167 HydrophobicContact CG2-CB 4.16Å; V159-L167 HydrophobicContact CG2-CD1 4.19Å; V159-L167 HydrophobicContact CG2-CG 4.02Å; L167-Y169 HydrophobicContact CD2-CD1 3.55Å; L167-Y169 HydrophobicContact CD2-CE1 4.41Å; L167-Y169 HydrophobicContact CD2-CG 4.26Å; L167-A177 WeakPolarHBondContact O-CA 3.33Å; L167-F178 HydrophobicContact CD2-CD2 4.42Å; L167-F178 PolarHBondContact N-O 3.14Å; L167-F178 PolarHBondContact O-N 2.98Å; L167-F187 HydrophobicContact CB-CD1 3.71Å; L167-F187 HydrophobicContact CB-CE1 3.53Å; L167-F187 HydrophobicContact CB-CZ 4.22Å |
| 168 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.9 | 179 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | G157 Y158 V175 H176 A177 M194 | G157-V168 CarbonylContact C-O 3.48Å; G157-V168 WeakPolarHBondContact CA-O 3.48Å; Y158-V168 HydrophobicContact CD1-CB 4.34Å; Y158-V168 HydrophobicContact CD2-CB 4.31Å; Y158-V168 HydrophobicContact CD2-CG2 4.44Å; Y158-V168 HydrophobicContact CE1-CB 3.79Å; Y158-V168 HydrophobicContact CE1-CG1 3.96Å; Y158-V168 HydrophobicContact CE1-CG2 4.44Å; Y158-V168 HydrophobicContact CE2-CB 3.78Å; Y158-V168 HydrophobicContact CE2-CG2 3.63Å; Y158-V168 VanDerWaalsContact CZ-CB 3.48Å; Y158-V168 PolarHBondContact N-O 2.83Å; Y158-V168 PolarHBondContact O-N 2.8Å; V168-V175 HydrophobicContact CG1-CG1 3.41Å; V168-V175 VanDerWaalsContact CG1-CG1 3.41Å; V168-H176 WeakPolarHBondContact CA-O 3.26Å; V168-A177 HydrophobicContact CG1-CB 4.49Å; V168-A177 HydrophobicContact CG2-CB 3.86Å; V168-M194 HydrophobicContact CG1-SD 3.71Å; V168-M194 HydrophobicContact CG2-SD 4.5Å |
| 169 | Y | 97.9 | Very high | 96.5 | Very high | 8 Ų | 8 | 21.6 Ų | 21.6 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 164.2 | -177.4 | 82.8 | -84.5 | 0 | 0 | 0 | 113 | L4 L26 A156 L167 T171 V175 H176 F178 | L4-Y169 HydrophobicContact CD1-CD1 4.43Å; L4-Y169 HydrophobicContact CD1-CE1 3.57Å; L26-Y169 HydrophobicContact CD1-CD2 4.23Å; L26-Y169 HydrophobicContact CD1-CE2 3.82Å; L26-Y169 HydrophobicContact CD2-CD2 4.38Å; A156-Y169 CarbonylContact O-C 3.59Å; A156-Y169 VanDerWaalsContact O-CA 3.29Å; A156-Y169 WeakPolarHBondContact O-CA 3.16Å; A156-Y169 WeakPolarHBondContact O-CB 3.28Å; L167-Y169 HydrophobicContact CD2-CD1 3.55Å; L167-Y169 HydrophobicContact CD2-CE1 4.41Å; L167-Y169 HydrophobicContact CD2-CG 4.26Å; Y169-T171 HydrophobicContact CD2-CG2 4.11Å; Y169-T171 HydrophobicContact CE2-CG2 3.78Å; Y169-V175 WeakPolarHBondContact O-CA 3.36Å; Y169-H176 PolarHBondContact N-O 2.68Å; Y169-H176 PolarHBondContact O-N 3.07Å; Y169-F178 HydrophobicContact CD1-CD2 4.37Å; Y169-F178 AromaticContact CD1-CE2 3.98Å; Y169-F178 HydrophobicContact CD1-CE2 3.98Å; Y169-F178 HydrophobicContact CE1-CD2 4.18Å; Y169-F178 AromaticContact CE1-CE2 3.43Å; Y169-F178 HydrophobicContact CE1-CE2 3.43Å; Y169-F178 VanDerWaalsContact CE1-CE2 3.43Å; Y169-F178 HydrophobicContact CE1-CZ 4.07Å |
| 170 | T | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 150.5 | 170 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | A155 A156 G172 G174 F281 L282 Q285 | A155-T170 WeakPolarHBondContact CA-O 3.46Å; A155-T170 WeakPolarHBondContact CB-O 3.13Å; A156-T170 PolarHBondContact N-O 3.32Å; A156-T170 PolarHBondContact O-N 2.81Å; T170-G172 PolarHBondContact OG1-N 3.1Å; T170-G174 WeakPolarHBondContact CB-O 3.5Å; T170-G174 PolarHBondContact OG1-O 3.35Å; T170-G174 VanDerWaalsContact OG1-O 3.05Å; T170-F281 HydrophobicContact CG2-CD1 3.88Å; T170-F281 HydrophobicContact CG2-CD2 4.34Å; T170-F281 HydrophobicContact CG2-CE1 4.07Å; T170-F281 HydrophobicContact CG2-CG 4.03Å; T170-F281 HydrophobicContact CG2-CZ 4.38Å; T170-L282 HydrophobicContact CG2-CD2 3.77Å; T170-L282 HydrophobicContact CG2-CG 4.09Å; T170-Q285 HydrophobicContact CG2-CB 4.41Å; T170-Q285 HydrophobicContact CG2-CG 4.17Å; T170-Q285 WeakPolarHBondContact OG1-CG 3.21Å |
| 171 | T | 94.5 | Very high | 96.4 | Very high | 30 Ų | 30 | 24.5 Ų | 24.5 | 18% | 0.184 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -118.1 | 22.1 | 167.8 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | L22 V154 A155 Y169 | L22-T171 HydrophobicContact CD2-CG2 4.05Å; V154-T171 WeakPolarHBondContact O-CA 3.19Å; A155-T171 HydrophobicContact CB-CG2 4.01Å; Y169-T171 HydrophobicContact CD2-CG2 4.11Å; Y169-T171 HydrophobicContact CE2-CG2 3.78Å |
| 172 | G | 93.9 | Very high | 96.2 | Very high | 30 Ų | 30 | 28 Ų | 28 | 31% | 0.309 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 83.9 | 9.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T170 Q285 | T170-G172 PolarHBondContact OG1-N 3.1Å; G172-Q285 PolarHBondContact O-OE1 3.1Å; G172-Q285 VanDerWaalsContact O-OE1 3.08Å |
| 173 | C | 92.8 | Very high | 96.3 | Very high | 54 Ų | 54 | 31.7 Ų | 31.7 | 37% | 0.365 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -126.9 | 53.2 | 179.2 | -73.5 | 0 | 0 | 0 | 0 | 111.2 | F15 H176 | F15-C173 HydrophobicContact CZ-CB 4.1Å; F15-C173 VanDerWaalsContact CZ-SG 3.56Å; C173-H176 PolarHBondContact O-NE2 3.04Å |
| 174 | G | 96 | Very high | 96.4 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | trans | 79.2 | 168.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T170 Q285 | T170-G174 WeakPolarHBondContact CB-O 3.5Å; T170-G174 PolarHBondContact OG1-O 3.35Å; T170-G174 VanDerWaalsContact OG1-O 3.05Å; G174-Q285 VanDerWaalsContact N-OE1 3.13Å | ||
| 175 | V | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 131.3 | -176.3 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | V168 Y169 R193 M194 L282 Q285 A286 | V168-V175 HydrophobicContact CG1-CG1 3.41Å; V168-V175 VanDerWaalsContact CG1-CG1 3.41Å; Y169-V175 WeakPolarHBondContact O-CA 3.36Å; V175-R193 CarbonylContact O-C 3.47Å; V175-R193 WeakPolarHBondContact O-CA 3.18Å; V175-R193 PolarHBondContact O-N 3.49Å; V175-M194 HydrophobicContact CB-CB 4.09Å; V175-M194 HydrophobicContact CG1-CB 4.07Å; V175-M194 HydrophobicContact CG1-CG 4.37Å; V175-M194 HydrophobicContact CG1-SD 4.06Å; V175-M194 PolarHBondContact O-N 3.26Å; V175-L282 HydrophobicContact CG1-CD2 3.82Å; V175-L282 HydrophobicContact CG2-CD2 4.07Å; V175-L282 WeakPolarHBondContact CG2-O 3.09Å; V175-Q285 HydrophobicContact CG2-CB 3.71Å; V175-A286 HydrophobicContact CG2-CB 3.99Å |
| 176 | H | 97.8 | Very high | 96.3 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.028 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.6 | -177.1 | -51.2 | -71.6 | 0 | 0 | 0 | 110.7 | F7 V168 Y169 C173 F178 R193 | F7-H176 HydrophobicContact CE1-CB 4.16Å; F7-H176 AromaticContact CE1-CD2 3.86Å; F7-H176 AromaticContact CE1-CG 3.84Å; F7-H176 HydrophobicContact CZ-CB 4.2Å; F7-H176 AromaticContact CZ-CD2 3.86Å; F7-H176 AromaticContact CZ-CE1 3.87Å; F7-H176 AromaticContact CZ-CG 3.61Å; F7-H176 AromaticContact CZ-ND1 3.64Å; V168-H176 WeakPolarHBondContact CA-O 3.26Å; Y169-H176 PolarHBondContact N-O 2.68Å; Y169-H176 PolarHBondContact O-N 3.07Å; C173-H176 PolarHBondContact O-NE2 3.04Å; H176-F178 HydrophobicContact CB-CE2 3.84Å; H176-F178 HydrophobicContact CB-CZ 4.4Å; H176-R193 PolarHBondContact ND1-N 2.85Å; H176-R193 VanDerWaalsContact ND1-N 3.15Å |
| 177 | A | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M166 L167 V168 C190 Q191 M194 | M166-A177 HydrophobicContact CE-CB 4.06Å; L167-A177 WeakPolarHBondContact O-CA 3.33Å; V168-A177 HydrophobicContact CG1-CB 4.49Å; V168-A177 HydrophobicContact CG2-CB 3.86Å; A177-C190 VanDerWaalsContact C-SG 3.51Å; A177-C190 PolarHBondContact O-N 3.39Å; A177-C190 PolarHBondContact O-SG 2.85Å; A177-Q191 HydrophobicContact CB-CB 4.33Å; A177-Q191 PolarHBondContact N-O 3.48Å; A177-Q191 PolarHBondContact O-N 3.12Å; A177-M194 HydrophobicContact CB-CE 4.44Å; A177-M194 HydrophobicContact CB-CG 4.35Å; A177-M194 HydrophobicContact CB-SD 3.47Å; A177-M194 WeakPolarHBondContact CB-SD 3.47Å |
| 178 | F | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 132.7 | 179.7 | -57.8 | -103.8 | 0 | 0 | 0 | 109.4 | L4 F7 M166 L167 Y169 H176 F187 C188 L189 | L4-F178 HydrophobicContact CB-CD1 3.83Å; L4-F178 HydrophobicContact CB-CE1 4Å; L4-F178 HydrophobicContact CB-CG 4.39Å; L4-F178 HydrophobicContact CD1-CD1 4.08Å; L4-F178 HydrophobicContact CD1-CD2 4.05Å; L4-F178 HydrophobicContact CD1-CE1 3.77Å; L4-F178 HydrophobicContact CD1-CE2 3.77Å; L4-F178 HydrophobicContact CD1-CG 4.24Å; L4-F178 HydrophobicContact CD1-CZ 3.61Å; F7-F178 HydrophobicContact CB-CE1 3.94Å; F7-F178 HydrophobicContact CB-CZ 4.04Å; F7-F178 HydrophobicContact CD1-CE1 4.32Å; F7-F178 HydrophobicContact CD1-CE2 4.5Å; F7-F178 AromaticContact CD1-CZ 3.55Å; F7-F178 HydrophobicContact CD1-CZ 3.55Å; F7-F178 HydrophobicContact CE1-CZ 4.07Å; F7-F178 HydrophobicContact CG-CE1 4.16Å; F7-F178 AromaticContact CG-CZ 3.8Å; F7-F178 HydrophobicContact CG-CZ 3.8Å; M166-F178 CarbonylContact C-O 3.56Å; M166-F178 WeakPolarHBondContact CA-O 3.25Å; L167-F178 HydrophobicContact CD2-CD2 4.42Å; L167-F178 PolarHBondContact N-O 3.14Å; L167-F178 PolarHBondContact O-N 2.98Å; Y169-F178 HydrophobicContact CD1-CD2 4.37Å; Y169-F178 AromaticContact CD1-CE2 3.98Å; Y169-F178 HydrophobicContact CD1-CE2 3.98Å; Y169-F178 HydrophobicContact CE1-CD2 4.18Å; Y169-F178 AromaticContact CE1-CE2 3.43Å; Y169-F178 HydrophobicContact CE1-CE2 3.43Å; Y169-F178 VanDerWaalsContact CE1-CE2 3.43Å; Y169-F178 HydrophobicContact CE1-CZ 4.07Å; H176-F178 HydrophobicContact CB-CE2 3.84Å; H176-F178 HydrophobicContact CB-CZ 4.4Å; F178-F187 HydrophobicContact CB-CB 3.9Å; F178-F187 HydrophobicContact CB-CD1 4.1Å; F178-F187 HydrophobicContact CB-CG 4.49Å; F178-C188 CarbonylContact C-O 3.55Å; F178-C188 WeakPolarHBondContact CA-O 3.43Å; F178-L189 VanDerWaalsContact CD1-CA 3.47Å; F178-L189 HydrophobicContact CD1-CB 3.91Å; F178-L189 HydrophobicContact CD1-CD1 4.29Å; F178-L189 HydrophobicContact CE1-CB 3.69Å; F178-L189 HydrophobicContact CE1-CD1 3.71Å; F178-L189 HydrophobicContact CE1-CG 4.28Å; F178-L189 HydrophobicContact CE2-CD1 4.1Å; F178-L189 HydrophobicContact CZ-CB 4.45Å; F178-L189 HydrophobicContact CZ-CD1 3.59Å |
| 179 | T | 97.9 | Very high | 96.2 | Very high | 42 Ų | 42 | 31.2 Ų | 31.2 | 26% | 0.258 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132.9 | 173.5 | -59.4 | 0 | 0 | 0 | 0 | 109.5 | C188 C190 | T179-C188 PolarHBondContact N-O 2.86Å; T179-C188 PolarHBondContact O-N 2.77Å; T179-C190 PolarHBondContact OG1-SG 3.2Å |
| 180 | Y | 97.8 | Very high | 96.1 | Very high | 28 Ų | 28 | 34 Ų | 34 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 127.2 | 174.4 | -176.3 | -124.2 | 0 | 0 | 0 | 110.4 | K34 H37 T165 P182 V186 F187 | K34-Y180 HydrophobicContact CD-CE2 3.82Å; K34-Y180 WeakPolarHBondContact CE-OH 3.3Å; K34-Y180 HydrophobicContact CG-CD2 4.2Å; K34-Y180 HydrophobicContact CG-CE2 3.55Å; H37-Y180 AromaticContact CD2-CD1 3.88Å; H37-Y180 AromaticContact CD2-CE1 3.54Å; H37-Y180 AromaticContact CE1-CD1 3.89Å; H37-Y180 AromaticContact NE2-CD1 3.76Å; H37-Y180 AromaticContact NE2-CE1 3.59Å; T165-Y180 WeakPolarHBondContact O-CB 3.32Å; T165-Y180 PolarHBondContact O-N 3.47Å; Y180-P182 HydrophobicContact CD1-CG 3.96Å; Y180-P182 HydrophobicContact CE1-CB 4.05Å; Y180-P182 HydrophobicContact CE1-CG 3.91Å; Y180-P182 WeakPolarHBondContact O-CD 3.4Å; Y180-V186 WeakPolarHBondContact CD2-O 3.49Å; Y180-F187 AromaticContact CD2-CD2 3.79Å; Y180-F187 HydrophobicContact CD2-CD2 3.79Å; Y180-F187 AromaticContact CD2-CE2 3.76Å; Y180-F187 HydrophobicContact CD2-CE2 3.76Å; Y180-F187 HydrophobicContact CD2-CG 4.28Å; Y180-F187 HydrophobicContact CD2-CZ 4.18Å; Y180-F187 HydrophobicContact CE2-CE2 4.48Å; Y180-F187 HydrophobicContact CG-CE1 4.45Å; Y180-F187 HydrophobicContact CG-CE2 4.24Å; Y180-F187 HydrophobicContact CG-CZ 4.2Å |
| 181 | D | 96.3 | Very high | 96.1 | Very high | 42 Ų | 42 | 37.9 Ų | 37.9 | 23% | 0.225 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 106.2 | 169.1 | -174.3 | -28.3 | 0 | 0 | 0 | 108.9 | S183 L184 G185 V186 | D181-S183 PolarHBondContact O-N 2.86Å; D181-S183 WeakPolarHBondContact OD1-CA 3.4Å; D181-S183 VanDerWaalsContact OD1-CB 3.31Å; D181-S183 WeakPolarHBondContact OD1-CB 3.46Å; D181-S183 PolarHBondContact OD1-N 2.86Å; D181-S183 PolarHBondContact OD1-OG 2.92Å; D181-L184 HydrophobicContact CB-CB 4.41Å; D181-L184 PolarHBondContact O-N 3.49Å; D181-L184 PolarHBondContact OD1-N 3.31Å; D181-G185 WeakPolarHBondContact O-CA 3.43Å; D181-G185 PolarHBondContact O-N 3.29Å; D181-V186 PolarHBondContact N-O 3.49Å; D181-V186 PolarHBondContact O-N 3.41Å |
| 182 | P | 93.6 | Very high | 96.2 | Very high | 84 Ų | 84 | 40.6 Ų | 40.6 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -25.8 | 179.5 | -22.1 | 33.9 | 0 | 0 | 0 | 113.9 | Y180 | Y180-P182 HydrophobicContact CD1-CG 3.96Å; Y180-P182 HydrophobicContact CE1-CB 4.05Å; Y180-P182 HydrophobicContact CE1-CG 3.91Å; Y180-P182 WeakPolarHBondContact O-CD 3.4Å |
| 183 | S | 94.5 | Very high | 96.3 | Very high | 102 Ų | 102 | 46.2 Ų | 46.2 | 71% | 0.713 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -32.9 | -178.4 | 75.9 | 0 | 0 | 0 | 0 | 112 | D181 | D181-S183 PolarHBondContact O-N 2.86Å; D181-S183 WeakPolarHBondContact OD1-CA 3.4Å; D181-S183 VanDerWaalsContact OD1-CB 3.31Å; D181-S183 WeakPolarHBondContact OD1-CB 3.46Å; D181-S183 PolarHBondContact OD1-N 2.86Å; D181-S183 PolarHBondContact OD1-OG 2.92Å |
| 184 | L | 94 | Very high | 96.5 | Very high | 105 Ų | 105 | 43.7 Ų | 43.7 | 55% | 0.55 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -18.1 | 176.8 | -60.3 | 179.6 | 0 | 0 | 0 | 112.6 | M1 D181 V186 | M1-L184 HydrophobicContact SD-CD1 3.96Å; D181-L184 HydrophobicContact CB-CB 4.41Å; D181-L184 PolarHBondContact O-N 3.49Å; D181-L184 PolarHBondContact OD1-N 3.31Å; L184-V186 VanDerWaalsContact C-N 3.34Å; L184-V186 HydrophobicContact CB-CG2 3.69Å; L184-V186 HydrophobicContact CD1-CG2 4.34Å |
| 185 | G | 94.4 | Very high | 96.6 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 29.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K34 D181 | K34-G185 WeakPolarHBondContact CE-O 3.42Å; K34-G185 PolarHBondContact NZ-O 3.1Å; D181-G185 WeakPolarHBondContact O-CA 3.43Å; D181-G185 PolarHBondContact O-N 3.29Å |
| 186 | V | 95.7 | Very high | 96.6 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 29% | 0.291 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 154.7 | -177.2 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | T3 Y180 D181 L184 | T3-V186 HydrophobicContact CG2-CB 4.42Å; T3-V186 HydrophobicContact CG2-CG2 4.35Å; Y180-V186 WeakPolarHBondContact CD2-O 3.49Å; D181-V186 PolarHBondContact N-O 3.49Å; D181-V186 PolarHBondContact O-N 3.41Å; L184-V186 VanDerWaalsContact C-N 3.34Å; L184-V186 HydrophobicContact CB-CG2 3.69Å; L184-V186 HydrophobicContact CD1-CG2 4.34Å |
| 187 | F | 97.7 | Very high | 96.6 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 125 | 168.3 | -81.5 | -93.2 | 0 | 0 | 0 | 109.2 | T3 L4 K30 A33 K34 T165 L167 F178 Y180 | T3-F187 CarbonylContact C-O 3.36Å; T3-F187 WeakPolarHBondContact CA-O 3.47Å; L4-F187 HydrophobicContact CB-CB 4.12Å; L4-F187 PolarHBondContact N-O 3.29Å; K30-F187 HydrophobicContact CD-CD2 4.18Å; K30-F187 HydrophobicContact CG-CD2 3.49Å; K30-F187 VanDerWaalsContact CG-CD2 3.49Å; K30-F187 HydrophobicContact CG-CE2 3.84Å; K30-F187 HydrophobicContact CG-CG 4.47Å; A33-F187 HydrophobicContact CB-CE2 4.45Å; A33-F187 HydrophobicContact CB-CZ 4.19Å; K34-F187 HydrophobicContact CG-CE2 4.01Å; T165-F187 HydrophobicContact CG2-CE1 4.14Å; T165-F187 HydrophobicContact CG2-CZ 4.04Å; L167-F187 HydrophobicContact CB-CD1 3.71Å; L167-F187 HydrophobicContact CB-CE1 3.53Å; L167-F187 HydrophobicContact CB-CZ 4.22Å; F178-F187 HydrophobicContact CB-CB 3.9Å; F178-F187 HydrophobicContact CB-CD1 4.1Å; F178-F187 HydrophobicContact CB-CG 4.49Å; Y180-F187 AromaticContact CD2-CD2 3.79Å; Y180-F187 HydrophobicContact CD2-CD2 3.79Å; Y180-F187 AromaticContact CD2-CE2 3.76Å; Y180-F187 HydrophobicContact CD2-CE2 3.76Å; Y180-F187 HydrophobicContact CD2-CG 4.28Å; Y180-F187 HydrophobicContact CD2-CZ 4.18Å; Y180-F187 HydrophobicContact CE2-CE2 4.48Å; Y180-F187 HydrophobicContact CG-CE1 4.45Å; Y180-F187 HydrophobicContact CG-CE2 4.24Å; Y180-F187 HydrophobicContact CG-CZ 4.2Å |
| 188 | C | 97.6 | Very high | 96.5 | Very high | 12 Ų | 12 | 62.3 Ų | 62.3 | 8% | 0.081 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.9 | -175.5 | -64 | 0 | 0 | 0 | 0 | 110 | M1 K2 F178 T179 C190 | M1-C188 HydrophobicContact CG-CB 3.81Å; M1-C188 VanDerWaalsContact CG-SG 3.51Å; M1-C188 HydrophobicContact SD-CB 4.21Å; M1-C188 PolarHBondContact SD-SG 3.09Å; K2-C188 WeakPolarHBondContact O-CA 3.32Å; F178-C188 CarbonylContact C-O 3.55Å; F178-C188 WeakPolarHBondContact CA-O 3.43Å; T179-C188 PolarHBondContact N-O 2.86Å; T179-C188 PolarHBondContact O-N 2.77Å; C188-C190 PolarHBondContact O-N 3.25Å |
| 189 | L | 97.4 | Very high | 96.3 | Very high | 35 Ų | 35 | 69.9 Ų | 69.9 | 18% | 0.183 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 121.2 | 178.7 | -179 | 67.7 | 0 | 0 | 0 | 109.8 | K2 F7 F178 E192 | K2-L189 HydrophobicContact CB-CB 4.29Å; K2-L189 HydrophobicContact CB-CD2 4.33Å; K2-L189 HydrophobicContact CD-CD2 4.07Å; K2-L189 WeakPolarHBondContact O-CB 3.17Å; K2-L189 PolarHBondContact O-N 2.58Å; F7-L189 HydrophobicContact CD2-CD1 4.38Å; F7-L189 HydrophobicContact CD2-CD2 3.8Å; F7-L189 HydrophobicContact CE2-CD1 4.4Å; F7-L189 HydrophobicContact CE2-CD2 4.12Å; F178-L189 VanDerWaalsContact CD1-CA 3.47Å; F178-L189 HydrophobicContact CD1-CB 3.91Å; F178-L189 HydrophobicContact CD1-CD1 4.29Å; F178-L189 HydrophobicContact CE1-CB 3.69Å; F178-L189 HydrophobicContact CE1-CD1 3.71Å; F178-L189 HydrophobicContact CE1-CG 4.28Å; F178-L189 HydrophobicContact CE2-CD1 4.1Å; F178-L189 HydrophobicContact CZ-CB 4.45Å; F178-L189 HydrophobicContact CZ-CD1 3.59Å; L189-E192 HydrophobicContact CD1-CG 3.82Å; L189-E192 HydrophobicContact CD2-CG 3.67Å; L189-E192 HydrophobicContact CG-CG 4.1Å |
| 190 | C | 95.8 | Very high | 96.1 | Very high | 66 Ų | 66 | 68.2 Ų | 68.2 | 45% | 0.446 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | -27 | 178.5 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | A177 T179 C188 | A177-C190 VanDerWaalsContact C-SG 3.51Å; A177-C190 PolarHBondContact O-N 3.39Å; A177-C190 PolarHBondContact O-SG 2.85Å; T179-C190 PolarHBondContact OG1-SG 3.2Å; C188-C190 PolarHBondContact O-N 3.25Å |
| 191 | Q | 96.3 | Very high | 96 | Very high | 82 Ų | 82 | 72.4 Ų | 72.4 | 38% | 0.383 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 127.4 | 175.3 | -170.1 | 173 | -11.8 | 0 | 0 | 111.5 | A177 M194 | A177-Q191 HydrophobicContact CB-CB 4.33Å; A177-Q191 PolarHBondContact N-O 3.48Å; A177-Q191 PolarHBondContact O-N 3.12Å; Q191-M194 HydrophobicContact CB-CG 4.27Å; Q191-M194 HydrophobicContact CG-CG 3.92Å |
| 192 | E | 96 | Very high | 96 | Very high | 86 Ų | 86 | 70.6 Ų | 70.6 | 40% | 0.402 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 150 | 170.7 | -67.2 | -174.8 | -123.3 | 0 | 0 | 110.8 | F7 L189 M194 | F7-E192 HydrophobicContact CE2-CG 4.13Å; L189-E192 HydrophobicContact CD1-CG 3.82Å; L189-E192 HydrophobicContact CD2-CG 3.67Å; L189-E192 HydrophobicContact CG-CG 4.1Å; E192-M194 VanDerWaalsContact C-N 3.3Å; E192-M194 PolarHBondContact O-N 3.4Å |
| 193 | R | 95.6 | Very high | 96.2 | Very high | 148 Ų | 148 | 66.9 Ų | 66.9 | 56% | 0.558 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 46.8 | 51.3 | 172.1 | -58.9 | 179.7 | -178.9 | -104.7 | 1.4 | 112.7 | V175 H176 R195 | V175-R193 CarbonylContact O-C 3.47Å; V175-R193 WeakPolarHBondContact O-CA 3.18Å; V175-R193 PolarHBondContact O-N 3.49Å; H176-R193 PolarHBondContact ND1-N 2.85Å; H176-R193 VanDerWaalsContact ND1-N 3.15Å; R193-R195 PolarHBondContact O-N 2.88Å |
| 194 | M | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.9 | 136.9 | 172.7 | -58.7 | -179.6 | 77.7 | 0 | 0 | 110 | V168 V175 A177 Q191 E192 L251 L252 A286 | V168-M194 HydrophobicContact CG1-SD 3.71Å; V168-M194 HydrophobicContact CG2-SD 4.5Å; V175-M194 HydrophobicContact CB-CB 4.09Å; V175-M194 HydrophobicContact CG1-CB 4.07Å; V175-M194 HydrophobicContact CG1-CG 4.37Å; V175-M194 HydrophobicContact CG1-SD 4.06Å; V175-M194 PolarHBondContact O-N 3.26Å; A177-M194 HydrophobicContact CB-CE 4.44Å; A177-M194 HydrophobicContact CB-CG 4.35Å; A177-M194 HydrophobicContact CB-SD 3.47Å; A177-M194 WeakPolarHBondContact CB-SD 3.47Å; Q191-M194 HydrophobicContact CB-CG 4.27Å; Q191-M194 HydrophobicContact CG-CG 3.92Å; E192-M194 VanDerWaalsContact C-N 3.3Å; E192-M194 PolarHBondContact O-N 3.4Å; M194-L251 HydrophobicContact CB-CD2 4.41Å; M194-L251 HydrophobicContact CE-CD2 3.57Å; M194-L251 HydrophobicContact CE-CG 3.96Å; M194-L251 HydrophobicContact SD-CD2 3.96Å; M194-L252 HydrophobicContact CE-CD2 3.4Å; M194-L252 VanDerWaalsContact CE-CD2 3.4Å; M194-L252 HydrophobicContact CE-CG 4.01Å; M194-A286 WeakPolarHBondContact O-CA 3.42Å; M194-A286 WeakPolarHBondContact O-CB 3.38Å |
| 195 | R | 98.4 | Very high | 96.6 | Very high | 173 Ų | 173 | 57.2 Ų | 57.2 | 65% | 0.653 | 27% | 0.272 | S | S | * | . | trans | -135.4 | 148.4 | 174.9 | -73.8 | -171.3 | 161.7 | -124.2 | -6.7 | 109.3 | R193 A286 | R193-R195 PolarHBondContact O-N 2.88Å; R195-A286 VanDerWaalsContact CA-O 3.25Å; R195-A286 WeakPolarHBondContact CA-O 3.5Å | ||
| 196 | F | 98.4 | Very high | 96.7 | Very high | 17 Ų | 17 | 59.5 Ų | 59.5 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | trans | -57.7 | 141.4 | 164.9 | -74.5 | -89.5 | 0 | 0 | 0 | 109.1 | F247 N250 L251 A283 A286 | F196-F247 HydrophobicContact CZ-CE2 4.14Å; F196-F247 HydrophobicContact CZ-CZ 4.31Å; F196-N250 WeakPolarHBondContact CD1-O 3.46Å; F196-N250 HydrophobicContact CE1-CB 4.49Å; F196-N250 WeakPolarHBondContact CE1-O 3.37Å; F196-L251 HydrophobicContact CD2-CD1 3.86Å; F196-L251 VanDerWaalsContact CE1-CA 3.44Å; F196-L251 HydrophobicContact CE1-CB 4.23Å; F196-L251 HydrophobicContact CE1-CD1 4.41Å; F196-L251 HydrophobicContact CE2-CD1 3.73Å; F196-L251 HydrophobicContact CG-CD1 4.24Å; F196-L251 HydrophobicContact CZ-CB 4.25Å; F196-L251 HydrophobicContact CZ-CD1 4.02Å; F196-A283 HydrophobicContact CE2-CB 4.29Å; F196-A286 HydrophobicContact CD2-CB 3.84Å; F196-A286 HydrophobicContact CE2-CB 3.99Å; F196-A286 PolarHBondContact N-O 2.86Å | ||
| 197 | P | 97.6 | Very high | 96.7 | Very high | 49 Ų | 49 | 60.2 Ų | 60.2 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | trans | -54.2 | 145 | 164 | -25.8 | 36.2 | 0 | 0 | 0 | 110.1 | K199 L251 N315 | P197-K199 PolarHBondContact O-N 2.81Å; P197-L251 WeakPolarHBondContact CD-O 3.41Å; P197-N315 PolarHBondContact O-ND2 3.01Å | ||
| 198 | E | 95.4 | Very high | 96.6 | Very high | 170 Ų | 170 | 63.6 Ų | 63.6 | 79% | 0.794 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -52.7 | -34.4 | -178 | -172.1 | -173.8 | 167.4 | 0 | 0 | 112.9 | H317 | E198-H317 PolarHBondContact O-CE1 3.38Å; E198-H317 VanDerWaalsContact O-CE1 3.31Å |
| 199 | K | 93.3 | Very high | 96.4 | Very high | 159 Ų | 159 | 65.2 Ų | 65.2 | 69% | 0.691 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -118.7 | 132.5 | 177 | -62.6 | -171.9 | 178.5 | -173.9 | 0 | 111.2 | P197 | P197-K199 PolarHBondContact O-N 2.81Š|
| 200 | G | 94.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 66.6 Ų | 66.6 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | trans | -93.7 | 153.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | H317 | G200-H317 PolarHBondContact N-NE2 2.97Š| ||
| 201 | K | 94.3 | Very high | 96.3 | Very high | 116 Ų | 116 | 70.4 Ų | 70.4 | 50% | 0.504 | 34% | 0.341 | S | S | . | . | trans | -145 | 14.3 | 175.7 | 65 | 177.7 | 178.2 | -177.7 | 0 | 113.6 | Y235 T236 | K201-Y235 HydrophobicContact CB-CD1 4.36Å; K201-T236 PolarHBondContact O-N 2.85Å | ||
| 202 | T | 97.7 | Very high | 96.2 | Very high | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.018 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139 | 178.9 | -57.2 | 0 | 0 | 0 | 0 | 109.3 | T236 R238 R249 G255 I256 M318 | T202-T236 WeakPolarHBondContact CA-O 3.12Å; T202-T236 VanDerWaalsContact CG2-O 3.25Å; T202-T236 WeakPolarHBondContact CG2-O 3.49Å; T202-R238 HydrophobicContact CG2-CB 3.69Å; T202-R238 HydrophobicContact CG2-CG 3.87Å; T202-R249 VanDerWaalsContact CG2-NH1 3.28Å; T202-R249 PolarHBondContact OG1-NH1 3.18Å; T202-R249 VanDerWaalsContact OG1-NH1 3.14Å; T202-R249 PolarHBondContact OG1-NH2 3.02Å; T202-G255 CarbonylContact O-C 3.47Å; T202-G255 WeakPolarHBondContact O-CA 2.9Å; T202-I256 PolarHBondContact O-N 3.32Å; T202-M318 WeakPolarHBondContact O-CE 3.27Å |
| 203 | Y | 98.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 68 Ų | 68 | 2% | 0.024 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 144.2 | 163.4 | 70.2 | -86.4 | 0 | 0 | 0 | 109.9 | I205 E207 C224 Q225 T236 S237 R238 I256 L258 | Y203-I205 HydrophobicContact CD2-CG2 3.76Å; Y203-I205 HydrophobicContact CE2-CG2 3.81Å; Y203-E207 VanDerWaalsContact CE2-OE1 3.22Å; Y203-E207 WeakPolarHBondContact CE2-OE1 3.23Å; Y203-E207 PolarHBondContact OH-OE1 3.21Å; Y203-C224 HydrophobicContact CD1-CB 3.71Å; Y203-C224 HydrophobicContact CE1-CB 3.77Å; Y203-C224 HydrophobicContact CG-CB 4.39Å; Y203-Q225 PolarHBondContact OH-NE2 3.14Å; Y203-Q225 VanDerWaalsContact OH-NE2 3.1Å; Y203-T236 PolarHBondContact N-O 3.43Å; Y203-T236 VanDerWaalsContact N-O 3.09Å; Y203-S237 WeakPolarHBondContact OH-CB 3.11Å; Y203-R238 PolarHBondContact O-N 3.47Å; Y203-I256 CarbonylContact C-O 3.39Å; Y203-I256 WeakPolarHBondContact CA-O 3.38Å; Y203-L258 HydrophobicContact CD2-CD1 4.27Å |
| 204 | S | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 112.2 | -177.6 | -57.7 | 0 | 0 | 0 | 0 | 109.7 | R238 N250 I256 L258 | S204-R238 WeakPolarHBondContact CA-O 2.99Å; S204-R238 WeakPolarHBondContact CB-O 3.24Å; S204-R238 PolarHBondContact OG-O 3.3Å; S204-N250 PolarHBondContact OG-ND2 3.17Å; S204-N250 VanDerWaalsContact OG-ND2 3.1Å; S204-I256 PolarHBondContact N-O 2.89Å; S204-L258 PolarHBondContact O-N 3.08Å |
| 205 | I | 98 | Very high | 96.2 | Very high | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | trans | -159 | 147.6 | 179.1 | -167.7 | 169.1 | 0 | 0 | 0 | 110.6 | Y203 E207 F213 V217 I221 Y239 L258 P260 | Y203-I205 HydrophobicContact CD2-CG2 3.76Å; Y203-I205 HydrophobicContact CE2-CG2 3.81Å; I205-E207 HydrophobicContact CG2-CG 3.79Å; I205-E207 PolarHBondContact O-N 3.38Å; I205-F213 HydrophobicContact CD1-CD2 3.96Å; I205-F213 HydrophobicContact CD1-CE1 4.31Å; I205-F213 HydrophobicContact CD1-CE2 3.32Å; I205-F213 HydrophobicContact CD1-CZ 3.52Å; I205-F213 HydrophobicContact CG1-CE2 3.83Å; I205-F213 HydrophobicContact CG1-CZ 3.68Å; I205-V217 HydrophobicContact CD1-CG1 4.2Å; I205-I221 HydrophobicContact CD1-CD1 3.98Å; I205-I221 HydrophobicContact CG2-CD1 4.48Å; I205-Y239 VanDerWaalsContact C-CD2 3.42Å; I205-L258 HydrophobicContact CB-CB 4.06Å; I205-L258 HydrophobicContact CB-CD1 4.11Å; I205-L258 HydrophobicContact CD1-CB 3.84Å; I205-L258 HydrophobicContact CD1-CD1 4.17Å; I205-L258 HydrophobicContact CG1-CB 4.15Å; I205-L258 WeakPolarHBondContact CG1-O 3.38Å; I205-L258 HydrophobicContact CG2-CD1 4.29Å; I205-P260 HydrophobicContact CD1-CG 4.17Å | ||
| 206 | N | 96.6 | Very high | 96.1 | Very high | 64 Ų | 64 | 56.3 Ų | 56.3 | 34% | 0.342 | 29% | 0.291 | S | S | . | . | trans | -76.4 | 87.7 | 169.6 | -172.1 | -14.3 | 0 | 0 | 0 | 111 | G208 N209 F213 Y239 | N206-G208 PolarHBondContact O-N 3Å; N206-G208 WeakPolarHBondContact OD1-CA 3.41Å; N206-G208 PolarHBondContact OD1-N 3.31Å; N206-N209 PolarHBondContact O-N 3.02Å; N206-F213 WeakPolarHBondContact O-CZ 3.39Å; N206-Y239 HydrophobicContact CB-CD1 4.31Å; N206-Y239 HydrophobicContact CB-CE1 3.74Å; N206-Y239 HydrophobicContact CB-CE2 4.15Å | ||
| 207 | E | 95.8 | Very high | 96.1 | Very high | 64 Ų | 64 | 55.5 Ų | 55.5 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -60.8 | -12.3 | 177.2 | -67.7 | -168.6 | -137.9 | 0 | 0 | 113.8 | Y203 I205 N209 Y210 Q225 S237 | Y203-E207 VanDerWaalsContact CE2-OE1 3.22Å; Y203-E207 WeakPolarHBondContact CE2-OE1 3.23Å; Y203-E207 PolarHBondContact OH-OE1 3.21Å; I205-E207 HydrophobicContact CG2-CG 3.79Å; I205-E207 PolarHBondContact O-N 3.38Å; E207-N209 PolarHBondContact O-N 3.04Å; E207-Y210 WeakPolarHBondContact O-CB 3.49Å; E207-Y210 PolarHBondContact O-N 3.45Å; E207-Q225 PolarHBondContact OE2-NE2 2.83Å; E207-S237 PolarHBondContact OE1-OG 3.01Å |
| 208 | G | 94.8 | Very high | 96.1 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 74% | 0.742 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -59.2 | -23.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N206 | N206-G208 PolarHBondContact O-N 3Å; N206-G208 WeakPolarHBondContact OD1-CA 3.41Å; N206-G208 PolarHBondContact OD1-N 3.31Å |
| 209 | N | 94.5 | Very high | 96.3 | Very high | 46 Ų | 46 | 51.9 Ų | 51.9 | 25% | 0.246 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -92.7 | 8 | 173.9 | -70.3 | -49.9 | 0 | 0 | 0 | 113.7 | N206 E207 I211 K212 F213 | N206-N209 PolarHBondContact O-N 3.02Å; E207-N209 PolarHBondContact O-N 3.04Å; N209-I211 VanDerWaalsContact C-N 3.28Å; N209-I211 PolarHBondContact O-N 2.94Å; N209-I211 VanDerWaalsContact O-N 3.08Å; N209-K212 WeakPolarHBondContact O-CA 3.44Å; N209-K212 WeakPolarHBondContact O-CB 3.22Å; N209-K212 PolarHBondContact O-N 2.87Å; N209-F213 HydrophobicContact CB-CD1 4.16Å; N209-F213 HydrophobicContact CB-CE1 3.33Å; N209-F213 HydrophobicContact CB-CE2 4.43Å; N209-F213 HydrophobicContact CB-CZ 3.51Å; N209-F213 PolarHBondContact O-N 2.67Å |
| 210 | Y | 95.4 | Very high | 96.5 | Very high | 64 Ų | 64 | 44.3 Ų | 44.3 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -48.1 | -44.9 | -171.9 | -179.7 | -91.8 | 0 | 0 | 0 | 114.2 | E207 K212 F213 K218 I221 K222 | E207-Y210 WeakPolarHBondContact O-CB 3.49Å; E207-Y210 PolarHBondContact O-N 3.45Å; Y210-K212 PolarHBondContact O-N 2.83Å; Y210-F213 VanDerWaalsContact CA-CD2 3.46Å; Y210-F213 PolarHBondContact O-N 3.45Å; Y210-K218 HydrophobicContact CE1-CG 4.28Å; Y210-K218 HydrophobicContact CE2-CB 4.16Å; Y210-K218 HydrophobicContact CE2-CG 4.08Å; Y210-K218 WeakPolarHBondContact O-CE 3.49Å; Y210-I221 HydrophobicContact CD2-CD1 3.89Å; Y210-I221 HydrophobicContact CD2-CG2 4.45Å; Y210-I221 HydrophobicContact CE2-CB 4.28Å; Y210-I221 HydrophobicContact CE2-CD1 4.1Å; Y210-I221 HydrophobicContact CE2-CG2 4.15Å; Y210-K222 WeakPolarHBondContact OH-CE 3.36Å |
| 211 | I | 94.7 | Very high | 96.7 | Very high | 147 Ų | 147 | 44 Ų | 44 | 75% | 0.754 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -63 | -30.7 | -179 | -63.3 | 172.7 | 0 | 0 | 0 | 111.8 | N209 K218 | N209-I211 VanDerWaalsContact C-N 3.28Å; N209-I211 PolarHBondContact O-N 2.94Å; N209-I211 VanDerWaalsContact O-N 3.08Å; I211-K218 WeakPolarHBondContact O-CE 3.43Å; I211-K218 PolarHBondContact O-NZ 2.96Å |
| 212 | K | 94.5 | Very high | 96.8 | Very high | 110 Ų | 110 | 42.9 Ų | 42.9 | 48% | 0.478 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -87.9 | -8.8 | -176.2 | -57.5 | 178.5 | -177.1 | 171.6 | 0 | 113.8 | N209 Y210 T262 A263 | N209-K212 WeakPolarHBondContact O-CA 3.44Å; N209-K212 WeakPolarHBondContact O-CB 3.22Å; N209-K212 PolarHBondContact O-N 2.87Å; Y210-K212 PolarHBondContact O-N 2.83Å; K212-T262 HydrophobicContact CB-CG2 4.4Å; K212-T262 WeakPolarHBondContact O-CA 3.2Å; K212-A263 PolarHBondContact O-N 2.86Å |
| 213 | F | 96 | Very high | 96.8 | Very high | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -74.2 | 153.9 | -179.7 | -62.5 | -28.4 | 0 | 0 | 0 | 112.6 | I205 N206 N209 Y210 V217 K218 I221 P260 T262 | I205-F213 HydrophobicContact CD1-CD2 3.96Å; I205-F213 HydrophobicContact CD1-CE1 4.31Å; I205-F213 HydrophobicContact CD1-CE2 3.32Å; I205-F213 HydrophobicContact CD1-CZ 3.52Å; I205-F213 HydrophobicContact CG1-CE2 3.83Å; I205-F213 HydrophobicContact CG1-CZ 3.68Å; N206-F213 WeakPolarHBondContact O-CZ 3.39Å; N209-F213 HydrophobicContact CB-CD1 4.16Å; N209-F213 HydrophobicContact CB-CE1 3.33Å; N209-F213 HydrophobicContact CB-CE2 4.43Å; N209-F213 HydrophobicContact CB-CZ 3.51Å; N209-F213 PolarHBondContact O-N 2.67Å; Y210-F213 VanDerWaalsContact CA-CD2 3.46Å; Y210-F213 PolarHBondContact O-N 3.45Å; F213-V217 HydrophobicContact CB-CB 4.38Å; F213-V217 HydrophobicContact CB-CG1 4.35Å; F213-V217 HydrophobicContact CD2-CG1 4.4Å; F213-V217 HydrophobicContact CG-CG1 4.48Å; F213-K218 HydrophobicContact CB-CG 4.16Å; F213-K218 WeakPolarHBondContact O-CE 3.47Å; F213-K218 PolarHBondContact O-NZ 3.24Å; F213-I221 HydrophobicContact CD2-CD1 3.87Å; F213-I221 HydrophobicContact CE2-CD1 4.07Å; F213-P260 HydrophobicContact CD1-CG 3.46Å; F213-P260 VanDerWaalsContact CD1-CG 3.46Å; F213-P260 HydrophobicContact CE1-CG 3.64Å; F213-P260 HydrophobicContact CG-CG 4.01Å; F213-P260 HydrophobicContact CZ-CG 4.32Å; F213-T262 HydrophobicContact CD1-CG2 4.16Å; F213-T262 HydrophobicContact CE1-CG2 4.27Å |
| 214 | P | 95.9 | Very high | 96.8 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | trans | -53.4 | 150.1 | 167.3 | -29 | 36.4 | 0 | 0 | 0 | 112.6 | G216 V217 K218 S261 D331 | P214-G216 PolarHBondContact O-N 2.7Å; P214-V217 HydrophobicContact CB-CG2 4.18Å; P214-V217 HydrophobicContact CG-CG2 4.37Å; P214-V217 PolarHBondContact O-N 3.18Å; P214-V217 VanDerWaalsContact O-N 3.15Å; P214-K218 WeakPolarHBondContact O-CG 3.35Å; P214-K218 PolarHBondContact O-N 2.81Å; P214-S261 VanDerWaalsContact CD-O 3.25Å; P214-S261 WeakPolarHBondContact CD-O 3.33Å; P214-S261 WeakPolarHBondContact CG-OG 3.41Å; P214-D331 WeakPolarHBondContact CA-OD1 3.2Å; P214-D331 WeakPolarHBondContact CA-OD2 3.44Å; P214-D331 VanDerWaalsContact CB-OD2 3.29Å; P214-D331 WeakPolarHBondContact CB-OD2 3.36Å | ||
| 215 | N | 96.8 | Very high | 96.7 | Very high | 57 Ų | 57 | 47 Ų | 47 | 31% | 0.305 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.3 | -45.1 | -178.7 | -173.3 | 32.4 | 0 | 0 | 0 | 112.2 | V217 K218 K219 D331 | N215-V217 VanDerWaalsContact C-N 3.31Å; N215-V217 PolarHBondContact O-N 2.91Å; N215-K218 WeakPolarHBondContact O-CB 3.33Å; N215-K218 PolarHBondContact O-N 2.77Å; N215-K218 VanDerWaalsContact O-N 3.15Å; N215-K219 VanDerWaalsContact O-CG 3.32Å; N215-K219 WeakPolarHBondContact O-CG 3.41Å; N215-K219 PolarHBondContact O-N 3.19Å; N215-D331 WeakPolarHBondContact CB-OD1 3.47Å; N215-D331 PolarHBondContact N-OD1 2.82Å |
| 216 | G | 97.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.6 | -40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P214 K219 Y220 F325 F329 | P214-G216 PolarHBondContact O-N 2.7Å; G216-K219 PolarHBondContact O-N 3.06Å; G216-Y220 WeakPolarHBondContact O-CB 3.14Å; G216-Y220 PolarHBondContact O-N 3.45Å; G216-F325 VanDerWaalsContact CA-O 3.27Å; G216-F325 WeakPolarHBondContact CA-O 3Å; G216-F325 WeakPolarHBondContact O-CB 3.14Å; G216-F329 WeakPolarHBondContact CA-O 3.24Å; G216-F329 PolarHBondContact N-O 2.75Å |
| 217 | V | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 176.1 | -179.8 | 0 | 0 | 0 | 0 | 111 | I205 F213 P214 N215 K219 Y220 I221 P260 F312 I326 | I205-V217 HydrophobicContact CD1-CG1 4.2Å; F213-V217 HydrophobicContact CB-CB 4.38Å; F213-V217 HydrophobicContact CB-CG1 4.35Å; F213-V217 HydrophobicContact CD2-CG1 4.4Å; F213-V217 HydrophobicContact CG-CG1 4.48Å; P214-V217 HydrophobicContact CB-CG2 4.18Å; P214-V217 HydrophobicContact CG-CG2 4.37Å; P214-V217 PolarHBondContact O-N 3.18Å; P214-V217 VanDerWaalsContact O-N 3.15Å; N215-V217 VanDerWaalsContact C-N 3.31Å; N215-V217 PolarHBondContact O-N 2.91Å; V217-K219 VanDerWaalsContact C-N 3.32Å; V217-K219 PolarHBondContact O-N 3.02Å; V217-Y220 PolarHBondContact O-N 2.8Å; V217-I221 HydrophobicContact CG1-CD1 4.19Å; V217-I221 WeakPolarHBondContact O-CG1 3.3Å; V217-I221 PolarHBondContact O-N 3.17Å; V217-P260 HydrophobicContact CB-CB 4.49Å; V217-P260 HydrophobicContact CG1-CB 4.22Å; V217-P260 HydrophobicContact CG1-CG 4.1Å; V217-P260 HydrophobicContact CG2-CB 3.88Å; V217-F312 HydrophobicContact CG2-CE1 4.15Å; V217-F312 HydrophobicContact CG2-CZ 3.98Å; V217-I326 HydrophobicContact CG2-CD1 4.12Å; V217-I326 HydrophobicContact CG2-CG1 4.07Å |
| 218 | K | 98 | Very high | 96.6 | Very high | 49 Ų | 49 | 54.9 Ų | 54.9 | 21% | 0.213 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.4 | -45.2 | 173.1 | -70.7 | 166 | 171.6 | 150.3 | 0 | 111.4 | Y210 I211 F213 P214 N215 I221 K222 | Y210-K218 HydrophobicContact CE1-CG 4.28Å; Y210-K218 HydrophobicContact CE2-CB 4.16Å; Y210-K218 HydrophobicContact CE2-CG 4.08Å; Y210-K218 WeakPolarHBondContact O-CE 3.49Å; I211-K218 WeakPolarHBondContact O-CE 3.43Å; I211-K218 PolarHBondContact O-NZ 2.96Å; F213-K218 HydrophobicContact CB-CG 4.16Å; F213-K218 WeakPolarHBondContact O-CE 3.47Å; F213-K218 PolarHBondContact O-NZ 3.24Å; P214-K218 WeakPolarHBondContact O-CG 3.35Å; P214-K218 PolarHBondContact O-N 2.81Å; N215-K218 WeakPolarHBondContact O-CB 3.33Å; N215-K218 PolarHBondContact O-N 2.77Å; N215-K218 VanDerWaalsContact O-N 3.15Å; K218-I221 PolarHBondContact O-N 3.49Å; K218-K222 WeakPolarHBondContact O-CG 3.41Å; K218-K222 PolarHBondContact O-N 3.47Å; K218-K222 VanDerWaalsContact O-N 3.09Å |
| 219 | K | 98.2 | Very high | 96.4 | Very high | 94 Ų | 94 | 60.1 Ų | 60.1 | 41% | 0.409 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 177.7 | -66.1 | -68 | -177.8 | 178.9 | 0 | 112 | N215 G216 V217 I221 K222 F223 F325 F329 | N215-K219 VanDerWaalsContact O-CG 3.32Å; N215-K219 WeakPolarHBondContact O-CG 3.41Å; N215-K219 PolarHBondContact O-N 3.19Å; G216-K219 PolarHBondContact O-N 3.06Å; V217-K219 VanDerWaalsContact C-N 3.32Å; V217-K219 PolarHBondContact O-N 3.02Å; K219-I221 PolarHBondContact O-N 3.47Å; K219-K222 PolarHBondContact O-N 3.24Å; K219-F223 PolarHBondContact O-N 2.9Å; K219-F325 HydrophobicContact CB-CD1 3.64Å; K219-F325 HydrophobicContact CB-CE1 4.12Å; K219-F329 HydrophobicContact CB-CD2 3.93Å; K219-F329 HydrophobicContact CB-CE2 4.28Å; K219-F329 HydrophobicContact CB-CG 4.28Å; K219-F329 HydrophobicContact CG-CB 4.14Å; K219-F329 HydrophobicContact CG-CD1 4.11Å; K219-F329 HydrophobicContact CG-CD2 3.94Å; K219-F329 HydrophobicContact CG-CE2 4.4Å; K219-F329 HydrophobicContact CG-CG 3.79Å |
| 220 | Y | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 174.2 | 178.1 | -108 | 0 | 0 | 0 | 112.7 | G216 V217 K222 F223 C224 I256 L258 D321 V322 F325 | G216-Y220 WeakPolarHBondContact O-CB 3.14Å; G216-Y220 PolarHBondContact O-N 3.45Å; V217-Y220 PolarHBondContact O-N 2.8Å; Y220-K222 VanDerWaalsContact C-N 3.31Å; Y220-K222 PolarHBondContact O-N 3.15Å; Y220-F223 HydrophobicContact CD2-CD1 4.06Å; Y220-F223 HydrophobicContact CE2-CD1 4.04Å; Y220-F223 HydrophobicContact CE2-CE1 4.34Å; Y220-F223 WeakPolarHBondContact O-CB 3.12Å; Y220-F223 PolarHBondContact O-N 3.31Å; Y220-C224 VanDerWaalsContact CE1-SG 3.52Å; Y220-C224 PolarHBondContact O-N 3.17Å; Y220-C224 PolarHBondContact O-SG 3.07Å; Y220-I256 HydrophobicContact CE1-CG2 4.41Å; Y220-L258 HydrophobicContact CD1-CD1 4.15Å; Y220-L258 HydrophobicContact CD1-CD2 4.15Å; Y220-L258 HydrophobicContact CE1-CD1 3.92Å; Y220-L258 HydrophobicContact CE1-CD2 3.82Å; Y220-L258 HydrophobicContact CE1-CG 4.49Å; Y220-D321 HydrophobicContact CD2-CB 4.23Å; Y220-D321 HydrophobicContact CE2-CB 3.67Å; Y220-V322 HydrophobicContact CD1-CB 3.9Å; Y220-V322 HydrophobicContact CD1-CG2 3.86Å; Y220-V322 HydrophobicContact CD2-CB 4.09Å; Y220-V322 HydrophobicContact CE1-CB 4.09Å; Y220-V322 HydrophobicContact CE1-CG2 4.44Å; Y220-V322 HydrophobicContact CE2-CB 4.27Å; Y220-V322 HydrophobicContact CG-CB 3.9Å; Y220-V322 HydrophobicContact CG-CG2 3.96Å; Y220-F325 AromaticContact CD2-CD2 3.68Å; Y220-F325 HydrophobicContact CD2-CD2 3.68Å; Y220-F325 HydrophobicContact CD2-CE2 4.07Å; Y220-F325 HydrophobicContact CD2-CG 4.43Å; Y220-F325 HydrophobicContact CG-CD2 4.37Å |
| 221 | I | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 174.8 | -66.5 | 164.1 | 0 | 0 | 0 | 110.4 | I205 Y210 F213 V217 K218 K219 C224 Q225 | I205-I221 HydrophobicContact CD1-CD1 3.98Å; I205-I221 HydrophobicContact CG2-CD1 4.48Å; Y210-I221 HydrophobicContact CD2-CD1 3.89Å; Y210-I221 HydrophobicContact CD2-CG2 4.45Å; Y210-I221 HydrophobicContact CE2-CB 4.28Å; Y210-I221 HydrophobicContact CE2-CD1 4.1Å; Y210-I221 HydrophobicContact CE2-CG2 4.15Å; F213-I221 HydrophobicContact CD2-CD1 3.87Å; F213-I221 HydrophobicContact CE2-CD1 4.07Å; V217-I221 HydrophobicContact CG1-CD1 4.19Å; V217-I221 WeakPolarHBondContact O-CG1 3.3Å; V217-I221 PolarHBondContact O-N 3.17Å; K218-I221 PolarHBondContact O-N 3.49Å; K219-I221 PolarHBondContact O-N 3.47Å; I221-C224 WeakPolarHBondContact O-CB 3.47Å; I221-C224 PolarHBondContact O-N 3.45Å; I221-Q225 VanDerWaalsContact O-CG 3.28Å; I221-Q225 WeakPolarHBondContact O-CG 3.47Å; I221-Q225 PolarHBondContact O-N 3.42Å; I221-Q225 VanDerWaalsContact O-N 3.1Å |
| 222 | K | 97.8 | Very high | 95.6 | Very high | 93 Ų | 93 | 60.9 Ų | 60.9 | 40% | 0.404 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 175.7 | -64.8 | -50.2 | 176.8 | -172.1 | 0 | 112.5 | Y210 K218 K219 Y220 C224 Q225 E226 | Y210-K222 WeakPolarHBondContact OH-CE 3.36Å; K218-K222 WeakPolarHBondContact O-CG 3.41Å; K218-K222 PolarHBondContact O-N 3.47Å; K218-K222 VanDerWaalsContact O-N 3.09Å; K219-K222 PolarHBondContact O-N 3.24Å; Y220-K222 VanDerWaalsContact C-N 3.31Å; Y220-K222 PolarHBondContact O-N 3.15Å; K222-C224 VanDerWaalsContact C-N 3.32Å; K222-C224 PolarHBondContact O-N 2.91Å; K222-Q225 PolarHBondContact O-N 2.99Å; K222-E226 WeakPolarHBondContact O-CG 3.08Å; K222-E226 PolarHBondContact O-N 2.85Å |
| 223 | F | 97.5 | Very high | 95.7 | Very high | 27 Ų | 27 | 56.7 Ų | 56.7 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.4 | -47.7 | 168.3 | 169.6 | -94.2 | 0 | 0 | 0 | 111.2 | K219 Y220 Q225 E226 R233 Y235 F325 | K219-F223 PolarHBondContact O-N 2.9Å; Y220-F223 HydrophobicContact CD2-CD1 4.06Å; Y220-F223 HydrophobicContact CE2-CD1 4.04Å; Y220-F223 HydrophobicContact CE2-CE1 4.34Å; Y220-F223 WeakPolarHBondContact O-CB 3.12Å; Y220-F223 PolarHBondContact O-N 3.31Å; F223-Q225 PolarHBondContact O-N 3.41Å; F223-Q225 VanDerWaalsContact O-N 3.14Å; F223-E226 PolarHBondContact O-N 3.06Å; F223-R233 WeakPolarHBondContact O-CD 3.22Å; F223-R233 PolarHBondContact O-NH1 3.4Å; F223-Y235 HydrophobicContact CE1-CE2 4.45Å; F223-F325 HydrophobicContact CB-CE1 4.07Å; F223-F325 HydrophobicContact CB-CE2 3.87Å; F223-F325 HydrophobicContact CB-CZ 3.43Å; F223-F325 VanDerWaalsContact CB-CZ 3.43Å; F223-F325 AromaticContact CD1-CE2 3.91Å; F223-F325 HydrophobicContact CD1-CE2 3.91Å; F223-F325 HydrophobicContact CD1-CZ 4.27Å; F223-F325 AromaticContact CD2-CE2 3.89Å; F223-F325 HydrophobicContact CD2-CE2 3.89Å; F223-F325 AromaticContact CD2-CZ 3.57Å; F223-F325 HydrophobicContact CD2-CZ 3.57Å; F223-F325 HydrophobicContact CE1-CE2 4.42Å; F223-F325 HydrophobicContact CE2-CE2 4.39Å; F223-F325 HydrophobicContact CE2-CZ 4.37Å; F223-F325 AromaticContact CG-CE2 3.63Å; F223-F325 HydrophobicContact CG-CE2 3.63Å; F223-F325 AromaticContact CG-CZ 3.51Å; F223-F325 HydrophobicContact CG-CZ 3.51Å |
| 224 | C | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -28.7 | 177.2 | -65.1 | 0 | 0 | 0 | 0 | 113.4 | Y203 Y220 I221 K222 P234 Y235 | Y203-C224 HydrophobicContact CD1-CB 3.71Å; Y203-C224 HydrophobicContact CE1-CB 3.77Å; Y203-C224 HydrophobicContact CG-CB 4.39Å; Y220-C224 VanDerWaalsContact CE1-SG 3.52Å; Y220-C224 PolarHBondContact O-N 3.17Å; Y220-C224 PolarHBondContact O-SG 3.07Å; I221-C224 WeakPolarHBondContact O-CB 3.47Å; I221-C224 PolarHBondContact O-N 3.45Å; K222-C224 VanDerWaalsContact C-N 3.32Å; K222-C224 PolarHBondContact O-N 2.91Å; C224-P234 CarbonylContact O-C 3.51Å; C224-P234 VanDerWaalsContact O-CA 3.31Å; C224-P234 WeakPolarHBondContact O-CA 3.38Å; C224-Y235 HydrophobicContact CB-CD2 3.96Å; C224-Y235 PolarHBondContact O-N 3.21Å |
| 225 | Q | 97.2 | Very high | 95.7 | Very high | 67 Ų | 67 | 60.1 Ų | 60.1 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -89.8 | -7.7 | -176 | -69.4 | 171.8 | -6.3 | 0 | 0 | 113.9 | Y203 E207 I221 K222 F223 | Y203-Q225 PolarHBondContact OH-NE2 3.14Å; Y203-Q225 VanDerWaalsContact OH-NE2 3.1Å; E207-Q225 PolarHBondContact OE2-NE2 2.83Å; I221-Q225 VanDerWaalsContact O-CG 3.28Å; I221-Q225 WeakPolarHBondContact O-CG 3.47Å; I221-Q225 PolarHBondContact O-N 3.42Å; I221-Q225 VanDerWaalsContact O-N 3.1Å; K222-Q225 PolarHBondContact O-N 2.99Å; F223-Q225 PolarHBondContact O-N 3.41Å; F223-Q225 VanDerWaalsContact O-N 3.14Å |
| 226 | E | 96.5 | Very high | 95.8 | Very high | 100 Ų | 100 | 60 Ų | 60 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -74.4 | 147.5 | 178.8 | -76.1 | 165.7 | -177.1 | 0 | 0 | 112.5 | K222 F223 D228 R233 P234 | K222-E226 WeakPolarHBondContact O-CG 3.08Å; K222-E226 PolarHBondContact O-N 2.85Å; F223-E226 PolarHBondContact O-N 3.06Å; E226-D228 PolarHBondContact O-N 3.5Å; E226-R233 CarbonylContact O-C 3.26Å; E226-R233 VanDerWaalsContact O-C 3.26Å; E226-R233 WeakPolarHBondContact O-CB 3.47Å; E226-R233 IonicContact OE2-CZ 2.77Å; E226-R233 IonicContact OE2-NH1 2.67Å; E226-R233 PolarHBondContact OE2-NH1 3.08Å; E226-P234 VanDerWaalsContact O-CA 3.32Å; E226-P234 WeakPolarHBondContact O-CA 3.5Å; E226-P234 VanDerWaalsContact O-N 3.16Å |
| 227 | E | 95.5 | Very high | 95.7 | Very high | 162 Ų | 162 | 62 Ų | 62 | 76% | 0.757 | 32% | 0.316 | S | S | * | . | trans | -80.5 | 116 | 168.4 | -170.9 | 179.3 | 170.2 | 0 | 0 | 109.9 | ||||
| 228 | D | 94.7 | Very high | 95.7 | Very high | 37 Ų | 37 | 68.2 Ų | 68.2 | 20% | 0.198 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -147 | 107.7 | 175.2 | 173.7 | 9 | 0 | 0 | 0 | 109.9 | E226 S230 T231 N232 R233 | E226-D228 PolarHBondContact O-N 3.5Å; D228-S230 PolarHBondContact O-N 2.99Å; D228-S230 WeakPolarHBondContact OD1-CB 3.31Å; D228-S230 PolarHBondContact OD1-N 3.37Å; D228-S230 PolarHBondContact OD1-OG 3.16Å; D228-S230 PolarHBondContact OD2-OG 3.44Å; D228-T231 WeakPolarHBondContact CB-OG1 3.33Å; D228-T231 PolarHBondContact O-N 3.34Å; D228-T231 WeakPolarHBondContact OD2-CG2 3.41Å; D228-T231 PolarHBondContact OD2-OG1 3.48Å; D228-N232 PolarHBondContact O-N 2.98Å; D228-R233 HydrophobicContact CB-CB 4.28Å; D228-R233 PolarHBondContact N-O 3.03Å; D228-R233 PolarHBondContact O-N 2.81Å; D228-R233 IonicContact OD2-CZ 3.95Å; D228-R233 IonicContact OD2-NE 2.94Å; D228-R233 IonicContact OD2-NH2 2.77Å; D228-R233 PolarHBondContact OD2-NH2 3.26Å |
| 229 | K | 91.2 | Very high | 95.7 | Very high | 183 Ų | 183 | 69.9 Ų | 69.9 | 80% | 0.796 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -27.7 | -178.7 | -65.9 | -176.6 | -179.4 | 177.2 | 0 | 113 | ||
| 230 | S | 91 | Very high | 95.6 | Very high | 102 Ų | 102 | 68.3 Ų | 68.3 | 71% | 0.713 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -35.3 | -176.8 | 72.1 | 0 | 0 | 0 | 0 | 112.2 | D228 | D228-S230 PolarHBondContact O-N 2.99Å; D228-S230 WeakPolarHBondContact OD1-CB 3.31Å; D228-S230 PolarHBondContact OD1-N 3.37Å; D228-S230 PolarHBondContact OD1-OG 3.16Å; D228-S230 PolarHBondContact OD2-OG 3.44Å |
| 231 | T | 88.6 | Confident | 95.5 | Very high | 57 Ų | 57 | 69.1 Ų | 69.1 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 3.2 | 178.4 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | D228 R233 | D228-T231 WeakPolarHBondContact CB-OG1 3.33Å; D228-T231 PolarHBondContact O-N 3.34Å; D228-T231 WeakPolarHBondContact OD2-CG2 3.41Å; D228-T231 PolarHBondContact OD2-OG1 3.48Å; T231-R233 VanDerWaalsContact C-N 3.29Å; T231-R233 PolarHBondContact O-N 2.7Å; T231-R233 PolarHBondContact OG1-NE 3.46Å |
| 232 | N | 89.1 | Confident | 95.4 | Very high | 113 Ų | 113 | 69.1 Ų | 69.1 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 41.1 | -177.9 | -167.4 | 49 | 0 | 0 | 0 | 112.7 | D228 | D228-N232 PolarHBondContact O-N 2.98Š|
| 233 | R | 95 | Very high | 95.4 | Very high | 23 Ų | 23 | 64.8 Ų | 64.8 | 9% | 0.087 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -97.2 | 150.9 | 172.5 | -71.8 | -175.9 | -67.2 | 139.5 | -1.3 | 110.6 | F223 E226 D228 T231 Y235 | F223-R233 WeakPolarHBondContact O-CD 3.22Å; F223-R233 PolarHBondContact O-NH1 3.4Å; E226-R233 CarbonylContact O-C 3.26Å; E226-R233 VanDerWaalsContact O-C 3.26Å; E226-R233 WeakPolarHBondContact O-CB 3.47Å; E226-R233 IonicContact OE2-CZ 2.77Å; E226-R233 IonicContact OE2-NH1 2.67Å; E226-R233 PolarHBondContact OE2-NH1 3.08Å; D228-R233 HydrophobicContact CB-CB 4.28Å; D228-R233 PolarHBondContact N-O 3.03Å; D228-R233 PolarHBondContact O-N 2.81Å; D228-R233 IonicContact OD2-CZ 3.95Å; D228-R233 IonicContact OD2-NE 2.94Å; D228-R233 IonicContact OD2-NH2 2.77Å; D228-R233 PolarHBondContact OD2-NH2 3.26Å; T231-R233 VanDerWaalsContact C-N 3.29Å; T231-R233 PolarHBondContact O-N 2.7Å; T231-R233 PolarHBondContact OG1-NE 3.46Å; R233-Y235 HydrophobicContact CG-CD1 3.61Å; R233-Y235 HydrophobicContact CG-CD2 4.37Å; R233-Y235 HydrophobicContact CG-CE1 3.35Å; R233-Y235 HydrophobicContact CG-CE2 4.14Å; R233-Y235 HydrophobicContact CG-CG 4.12Å |
| 234 | P | 96.4 | Very high | 95.4 | Very high | 76 Ų | 76 | 63.5 Ų | 63.5 | 49% | 0.494 | 33% | 0.325 | S | S | . | . | S | Bend | cis | -75.3 | 144.7 | 16 | 30.2 | -36.6 | 0 | 0 | 0 | 114 | C224 E226 | C224-P234 CarbonylContact O-C 3.51Å; C224-P234 VanDerWaalsContact O-CA 3.31Å; C224-P234 WeakPolarHBondContact O-CA 3.38Å; E226-P234 VanDerWaalsContact O-CA 3.32Å; E226-P234 WeakPolarHBondContact O-CA 3.5Å; E226-P234 VanDerWaalsContact O-N 3.16Å |
| 235 | Y | 97.2 | Very high | 95.4 | Very high | 20 Ų | 20 | 63.8 Ų | 63.8 | 8% | 0.078 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 148.3 | 166.2 | -62.6 | -24.6 | 0 | 0 | 0 | 110.1 | K201 F223 C224 R233 M318 | K201-Y235 HydrophobicContact CB-CD1 4.36Å; F223-Y235 HydrophobicContact CE1-CE2 4.45Å; C224-Y235 HydrophobicContact CB-CD2 3.96Å; C224-Y235 PolarHBondContact O-N 3.21Å; R233-Y235 HydrophobicContact CG-CD1 3.61Å; R233-Y235 HydrophobicContact CG-CD2 4.37Å; R233-Y235 HydrophobicContact CG-CE1 3.35Å; R233-Y235 HydrophobicContact CG-CE2 4.14Å; R233-Y235 HydrophobicContact CG-CG 4.12Å; Y235-M318 HydrophobicContact CD2-CE 3.55Å; Y235-M318 HydrophobicContact CE2-CE 3.54Å; Y235-M318 HydrophobicContact CG-CE 4.29Å |
| 236 | T | 97.2 | Very high | 95.5 | Very high | 56 Ų | 56 | 60.6 Ų | 60.6 | 34% | 0.344 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129 | 180 | -61.3 | 0 | 0 | 0 | 0 | 110.5 | K201 T202 Y203 R238 | K201-T236 PolarHBondContact O-N 2.85Å; T202-T236 WeakPolarHBondContact CA-O 3.12Å; T202-T236 VanDerWaalsContact CG2-O 3.25Å; T202-T236 WeakPolarHBondContact CG2-O 3.49Å; Y203-T236 PolarHBondContact N-O 3.43Å; Y203-T236 VanDerWaalsContact N-O 3.09Å; T236-R238 HydrophobicContact CG2-CG 4.21Å |
| 237 | S | 97.7 | Very high | 95.6 | Very high | 43 Ų | 43 | 55.9 Ų | 55.9 | 30% | 0.301 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 127.2 | 170.4 | -170.5 | 0 | 0 | 0 | 0 | 110.8 | Y203 E207 | Y203-S237 WeakPolarHBondContact OH-CB 3.11Å; E207-S237 PolarHBondContact OE1-OG 3.01Å |
| 238 | R | 97.9 | Very high | 95.7 | Very high | 130 Ų | 130 | 49.3 Ų | 49.3 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | trans | -142.4 | 120.2 | 169.9 | -67.4 | -67.8 | -177.4 | -91.2 | 0 | 109.1 | T202 Y203 S204 T236 | T202-R238 HydrophobicContact CG2-CB 3.69Å; T202-R238 HydrophobicContact CG2-CG 3.87Å; Y203-R238 PolarHBondContact O-N 3.47Å; S204-R238 WeakPolarHBondContact CA-O 2.99Å; S204-R238 WeakPolarHBondContact CB-O 3.24Å; S204-R238 PolarHBondContact OG-O 3.3Å; T236-R238 HydrophobicContact CG2-CG 4.21Å | ||
| 239 | Y | 97.3 | Very high | 95.9 | Very high | 84 Ų | 84 | 50.5 Ų | 50.5 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | trans | -133 | 112.9 | 178.2 | 179.6 | -106.1 | 0 | 0 | 0 | 108.3 | I205 N206 Y257 | I205-Y239 VanDerWaalsContact C-CD2 3.42Å; N206-Y239 HydrophobicContact CB-CD1 4.31Å; N206-Y239 HydrophobicContact CB-CE1 3.74Å; N206-Y239 HydrophobicContact CB-CE2 4.15Å; Y239-Y257 HydrophobicContact CE2-CE2 4.42Å | ||
| 240 | I | 96.6 | Very high | 96.2 | Very high | 61 Ų | 61 | 41.8 Ų | 41.8 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | trans | -83.8 | -34.2 | 178.1 | -61 | 168.6 | 0 | 0 | 0 | 109.5 | V122 A245 D246 | V122-I240 HydrophobicContact CG1-CG2 3.6Å; I240-A245 HydrophobicContact CB-CB 4.21Å; I240-A245 HydrophobicContact CD1-CB 3.87Å; I240-A245 HydrophobicContact CG2-CB 3.74Å; I240-D246 VanDerWaalsContact N-CG 3.35Å; I240-D246 PolarHBondContact N-OD1 3.02Å; I240-D246 PolarHBondContact N-OD2 3.02Å | ||
| 241 | G | 95.2 | Very high | 96.6 | Very high | 17 Ų | 17 | 37 Ų | 37 | 18% | 0.175 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 88.6 | 25.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N117 D246 | N117-G241 PolarHBondContact ND2-O 2.69Å; G241-D246 PolarHBondContact N-OD2 3.02Å |
| 242 | S | 95.7 | Very high | 97 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | trans | -139.3 | 127.7 | 169 | 148.5 | 0 | 0 | 0 | 0 | 106.6 | D113 S123 V244 A245 D246 | D113-S242 WeakPolarHBondContact OD2-CB 3.45Å; D113-S242 PolarHBondContact OD2-OG 2.77Å; S123-S242 WeakPolarHBondContact O-CB 3.21Å; S242-V244 VanDerWaalsContact C-N 3.29Å; S242-V244 PolarHBondContact O-N 2.86Å; S242-V244 PolarHBondContact OG-N 3.41Å; S242-A245 PolarHBondContact O-N 2.81Å; S242-A245 WeakPolarHBondContact OG-CB 3.25Å; S242-A245 PolarHBondContact OG-N 3.1Å; S242-A245 VanDerWaalsContact OG-N 3.1Å; S242-D246 WeakPolarHBondContact O-CB 3.38Å; S242-D246 PolarHBondContact O-N 3.09Å | ||
| 243 | L | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.6 | -46.4 | 178.7 | 168 | 60.4 | 0 | 0 | 0 | 110.8 | D113 I127 A245 F247 Y257 L270 E275 M279 F311 | D113-L243 PolarHBondContact OD1-N 2.87Å; D113-L243 PolarHBondContact OD2-N 2.81Å; I127-L243 HydrophobicContact CD1-CD2 3.97Å; L243-A245 PolarHBondContact O-N 2.69Å; L243-F247 WeakPolarHBondContact O-CB 3.1Å; L243-F247 PolarHBondContact O-N 2.92Å; L243-Y257 HydrophobicContact CD1-CD1 3.67Å; L243-Y257 HydrophobicContact CD1-CE1 3.46Å; L243-Y257 VanDerWaalsContact CD1-CE1 3.46Å; L243-Y257 HydrophobicContact CD1-CG 4.31Å; L243-L270 HydrophobicContact CD2-CD1 4.28Å; L243-E275 HydrophobicContact CD2-CB 3.72Å; L243-E275 HydrophobicContact CD2-CG 4.33Å; L243-M279 HydrophobicContact CD2-CG 4.02Å; L243-M279 HydrophobicContact CG-CE 4.48Å; L243-M279 HydrophobicContact CG-CG 4.36Å; L243-F311 HydrophobicContact CD1-CD1 4.15Å; L243-F311 HydrophobicContact CD1-CE1 3.87Å; L243-F311 HydrophobicContact CD2-CE1 4.47Å |
| 244 | V | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.3 | -47.5 | 179.1 | 173.5 | 0 | 0 | 0 | 0 | 111 | D113 I127 Y158 V160 S242 H248 | D113-V244 HydrophobicContact CB-CG2 3.85Å; D113-V244 WeakPolarHBondContact OD2-CB 3.07Å; D113-V244 WeakPolarHBondContact OD2-CG2 3.14Å; D113-V244 PolarHBondContact OD2-N 2.98Å; I127-V244 HydrophobicContact CD1-CG2 3.66Å; I127-V244 HydrophobicContact CG1-CG2 3.32Å; Y158-V244 HydrophobicContact CD2-CG1 3.53Å; Y158-V244 HydrophobicContact CE2-CG1 4.21Å; Y158-V244 HydrophobicContact CG-CG1 4.01Å; V160-V244 HydrophobicContact CB-CG1 3.81Å; V160-V244 HydrophobicContact CG2-CG1 4.22Å; S242-V244 VanDerWaalsContact C-N 3.29Å; S242-V244 PolarHBondContact O-N 2.86Å; S242-V244 PolarHBondContact OG-N 3.41Å; V244-H248 WeakPolarHBondContact O-CB 3.46Å; V244-H248 PolarHBondContact O-N 3.26Å |
| 245 | A | 97.9 | Very high | 97.6 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 5% | 0.05 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.8 | -45.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I240 S242 L243 H248 R249 | I240-A245 HydrophobicContact CB-CB 4.21Å; I240-A245 HydrophobicContact CD1-CB 3.87Å; I240-A245 HydrophobicContact CG2-CB 3.74Å; S242-A245 PolarHBondContact O-N 2.81Å; S242-A245 WeakPolarHBondContact OG-CB 3.25Å; S242-A245 PolarHBondContact OG-N 3.1Å; S242-A245 VanDerWaalsContact OG-N 3.1Å; L243-A245 PolarHBondContact O-N 2.69Å; A245-H248 PolarHBondContact O-N 2.77Å; A245-R249 WeakPolarHBondContact O-CB 3.34Å; A245-R249 PolarHBondContact O-N 2.77Å |
| 246 | D | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 177.8 | -80.8 | -59.8 | 0 | 0 | 0 | 111 | I240 G241 S242 R249 N250 Y257 | I240-D246 VanDerWaalsContact N-CG 3.35Å; I240-D246 PolarHBondContact N-OD1 3.02Å; I240-D246 PolarHBondContact N-OD2 3.02Å; G241-D246 PolarHBondContact N-OD2 3.02Å; S242-D246 WeakPolarHBondContact O-CB 3.38Å; S242-D246 PolarHBondContact O-N 3.09Å; D246-R249 PolarHBondContact O-N 2.81Å; D246-N250 WeakPolarHBondContact O-CB 3.49Å; D246-N250 PolarHBondContact O-N 3.45Å; D246-N250 PolarHBondContact O-ND2 3.47Å; D246-Y257 HydrophobicContact CB-CD2 3.51Å; D246-Y257 HydrophobicContact CB-CE2 3.8Å |
| 247 | F | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.6 | -48.9 | 174.5 | 179 | -89.5 | 0 | 0 | 0 | 111.9 | Y158 F196 L243 R249 N250 L251 M279 L282 A283 V313 | Y158-F247 HydrophobicContact CD1-CD1 4.49Å; Y158-F247 AromaticContact CE1-CD1 3.78Å; Y158-F247 HydrophobicContact CE1-CD1 3.78Å; Y158-F247 AromaticContact CE1-CE1 3.72Å; Y158-F247 HydrophobicContact CE1-CE1 3.72Å; F196-F247 HydrophobicContact CZ-CE2 4.14Å; F196-F247 HydrophobicContact CZ-CZ 4.31Å; L243-F247 WeakPolarHBondContact O-CB 3.1Å; L243-F247 PolarHBondContact O-N 2.92Å; F247-R249 VanDerWaalsContact C-N 3.27Å; F247-R249 PolarHBondContact O-N 3.32Å; F247-N250 PolarHBondContact O-N 3Å; F247-N250 VanDerWaalsContact O-N 3.1Å; F247-L251 HydrophobicContact CE1-CB 4.32Å; F247-L251 HydrophobicContact CE1-CD2 4.06Å; F247-L251 WeakPolarHBondContact O-CB 3.35Å; F247-L251 PolarHBondContact O-N 3.38Å; F247-M279 HydrophobicContact CB-CE 3.34Å; F247-M279 HydrophobicContact CD1-CE 3.22Å; F247-M279 HydrophobicContact CD2-CE 3.76Å; F247-M279 HydrophobicContact CE1-CE 3.89Å; F247-M279 HydrophobicContact CE2-CE 4.33Å; F247-M279 HydrophobicContact CG-CE 3.14Å; F247-M279 HydrophobicContact CZ-CE 4.39Å; F247-L282 HydrophobicContact CE1-CB 4.27Å; F247-L282 HydrophobicContact CZ-CB 3.97Å; F247-A283 HydrophobicContact CE2-CB 3.97Å; F247-A283 HydrophobicContact CZ-CB 4.26Å; F247-V313 HydrophobicContact CD2-CG1 4Å; F247-V313 HydrophobicContact CD2-CG2 4.05Å; F247-V313 HydrophobicContact CE2-CG1 4.5Å; F247-V313 HydrophobicContact CE2-CG2 3.7Å |
| 248 | H | 98.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 28.5 Ų | 28.5 | 11% | 0.111 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.9 | -43 | -179.5 | -178 | 76 | 0 | 0 | 0 | 111.4 | Y158 V244 A245 L252 | Y158-H248 HydrophobicContact CE2-CB 4.03Å; Y158-H248 AromaticContact CE2-ND1 3.56Å; Y158-H248 AromaticContact CZ-ND1 3.64Å; Y158-H248 PolarHBondContact OH-ND1 2.8Å; V244-H248 WeakPolarHBondContact O-CB 3.46Å; V244-H248 PolarHBondContact O-N 3.26Å; A245-H248 PolarHBondContact O-N 2.77Å; H248-L252 WeakPolarHBondContact NE2-CD1 3.27Å; H248-L252 PolarHBondContact O-N 2.67Å |
| 249 | R | 97.7 | Very high | 97.8 | Very high | 61 Ų | 61 | 24.9 Ų | 24.9 | 23% | 0.23 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.8 | -48.9 | 174.6 | -174 | -162.5 | 172.7 | -74.6 | 0.8 | 111.3 | T202 A245 D246 F247 L251 L252 K253 | T202-R249 VanDerWaalsContact CG2-NH1 3.28Å; T202-R249 PolarHBondContact OG1-NH1 3.18Å; T202-R249 VanDerWaalsContact OG1-NH1 3.14Å; T202-R249 PolarHBondContact OG1-NH2 3.02Å; A245-R249 WeakPolarHBondContact O-CB 3.34Å; A245-R249 PolarHBondContact O-N 2.77Å; D246-R249 PolarHBondContact O-N 2.81Å; F247-R249 VanDerWaalsContact C-N 3.27Å; F247-R249 PolarHBondContact O-N 3.32Å; R249-L251 VanDerWaalsContact C-N 3.34Å; R249-L252 PolarHBondContact O-N 3.38Å; R249-K253 WeakPolarHBondContact O-CB 3.06Å; R249-K253 PolarHBondContact O-N 3.27Å |
| 250 | N | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.2 | -35 | -176.1 | -69.9 | -18.7 | 0 | 0 | 0 | 111.9 | F196 S204 D246 F247 L252 G254 I256 | F196-N250 WeakPolarHBondContact CD1-O 3.46Å; F196-N250 HydrophobicContact CE1-CB 4.49Å; F196-N250 WeakPolarHBondContact CE1-O 3.37Å; S204-N250 PolarHBondContact OG-ND2 3.17Å; S204-N250 VanDerWaalsContact OG-ND2 3.1Å; D246-N250 WeakPolarHBondContact O-CB 3.49Å; D246-N250 PolarHBondContact O-N 3.45Å; D246-N250 PolarHBondContact O-ND2 3.47Å; F247-N250 PolarHBondContact O-N 3Å; F247-N250 VanDerWaalsContact O-N 3.1Å; N250-L252 VanDerWaalsContact C-N 3.28Å; N250-L252 PolarHBondContact O-N 3.17Å; N250-G254 CarbonylContact O-C 3.56Å; N250-G254 WeakPolarHBondContact O-CA 3.49Å; N250-G254 PolarHBondContact O-N 3.41Å; N250-I256 PolarHBondContact ND2-O 2.9Å |
| 251 | L | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.3 | -40.3 | 171 | 178 | 60.7 | 0 | 0 | 0 | 112.1 | M194 F196 P197 F247 R249 A286 | M194-L251 HydrophobicContact CB-CD2 4.41Å; M194-L251 HydrophobicContact CE-CD2 3.57Å; M194-L251 HydrophobicContact CE-CG 3.96Å; M194-L251 HydrophobicContact SD-CD2 3.96Å; F196-L251 HydrophobicContact CD2-CD1 3.86Å; F196-L251 VanDerWaalsContact CE1-CA 3.44Å; F196-L251 HydrophobicContact CE1-CB 4.23Å; F196-L251 HydrophobicContact CE1-CD1 4.41Å; F196-L251 HydrophobicContact CE2-CD1 3.73Å; F196-L251 HydrophobicContact CG-CD1 4.24Å; F196-L251 HydrophobicContact CZ-CB 4.25Å; F196-L251 HydrophobicContact CZ-CD1 4.02Å; P197-L251 WeakPolarHBondContact CD-O 3.41Å; F247-L251 HydrophobicContact CE1-CB 4.32Å; F247-L251 HydrophobicContact CE1-CD2 4.06Å; F247-L251 WeakPolarHBondContact O-CB 3.35Å; F247-L251 PolarHBondContact O-N 3.38Å; R249-L251 VanDerWaalsContact C-N 3.34Å; L251-A286 HydrophobicContact CD1-CB 3.46Å; L251-A286 VanDerWaalsContact CD1-CB 3.46Å |
| 252 | L | 97.4 | Very high | 97.6 | Very high | 66 Ų | 66 | 19.3 Ų | 19.3 | 35% | 0.346 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -86.7 | -33.1 | -177.9 | -71.5 | 176.3 | 0 | 0 | 0 | 114.5 | M194 H248 R249 N250 | M194-L252 HydrophobicContact CE-CD2 3.4Å; M194-L252 VanDerWaalsContact CE-CD2 3.4Å; M194-L252 HydrophobicContact CE-CG 4.01Å; H248-L252 WeakPolarHBondContact NE2-CD1 3.27Å; H248-L252 PolarHBondContact O-N 2.67Å; R249-L252 PolarHBondContact O-N 3.38Å; N250-L252 VanDerWaalsContact C-N 3.28Å; N250-L252 PolarHBondContact O-N 3.17Å |
| 253 | K | 97.3 | Very high | 97.2 | Very high | 137 Ų | 137 | 23.6 Ų | 23.6 | 60% | 0.596 | 13% | 0.126 | S | C | * | . | H | α-helix | trans | -109.4 | -6.7 | -171.3 | -62.3 | -61.7 | 179.7 | -175.2 | 0 | 114.2 | R249 | R249-K253 WeakPolarHBondContact O-CB 3.06Å; R249-K253 PolarHBondContact O-N 3.27Å |
| 254 | G | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | 75.9 | 132.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | N250 N315 | N250-G254 CarbonylContact O-C 3.56Å; N250-G254 WeakPolarHBondContact O-CA 3.49Å; N250-G254 PolarHBondContact O-N 3.41Å; G254-N315 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 255 | G | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | 161.5 | -173.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T202 G314 N315 | T202-G255 CarbonylContact O-C 3.47Å; T202-G255 WeakPolarHBondContact O-CA 2.9Å; G255-G314 WeakPolarHBondContact O-CA 3.46Å; G255-N315 PolarHBondContact N-OD1 3.28Å; G255-N315 PolarHBondContact O-N 3.25Å; G255-N315 PolarHBondContact O-OD1 3.47Å | ||
| 256 | I | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 136.6 | 178.8 | -173.1 | 167.8 | 0 | 0 | 0 | 110.6 | T202 Y203 S204 Y220 N250 L258 V313 M318 V319 V322 | T202-I256 PolarHBondContact O-N 3.32Å; Y203-I256 CarbonylContact C-O 3.39Å; Y203-I256 WeakPolarHBondContact CA-O 3.38Å; S204-I256 PolarHBondContact N-O 2.89Å; Y220-I256 HydrophobicContact CE1-CG2 4.41Å; N250-I256 PolarHBondContact ND2-O 2.9Å; I256-L258 HydrophobicContact CD1-CD2 3.62Å; I256-L258 HydrophobicContact CG1-CD2 3.86Å; I256-L258 HydrophobicContact CG1-CG 4.32Å; I256-L258 HydrophobicContact CG2-CD2 4.26Å; I256-L258 HydrophobicContact CG2-CG 4.29Å; I256-V313 WeakPolarHBondContact CA-O 3.38Å; I256-M318 HydrophobicContact CB-CB 3.97Å; I256-M318 HydrophobicContact CB-CE 4.33Å; I256-M318 HydrophobicContact CB-SD 4.27Å; I256-M318 HydrophobicContact CD1-CB 4.06Å; I256-M318 WeakPolarHBondContact CD1-O 3.39Å; I256-M318 HydrophobicContact CG2-CB 4.21Å; I256-M318 HydrophobicContact CG2-CE 3.63Å; I256-M318 HydrophobicContact CG2-SD 4.22Å; I256-V319 HydrophobicContact CD1-CB 4.34Å; I256-V319 HydrophobicContact CD1-CG2 3.7Å; I256-V319 HydrophobicContact CG1-CG2 4.2Å; I256-V322 HydrophobicContact CD1-CG1 3.89Å |
| 257 | Y | 98.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 39 Ų | 39 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 130.4 | 165.5 | -179.2 | -98.6 | 0 | 0 | 0 | 109.5 | Y239 L243 D246 Y259 L270 F311 F312 V313 | Y239-Y257 HydrophobicContact CE2-CE2 4.42Å; L243-Y257 HydrophobicContact CD1-CD1 3.67Å; L243-Y257 HydrophobicContact CD1-CE1 3.46Å; L243-Y257 VanDerWaalsContact CD1-CE1 3.46Å; L243-Y257 HydrophobicContact CD1-CG 4.31Å; D246-Y257 HydrophobicContact CB-CD2 3.51Å; D246-Y257 HydrophobicContact CB-CE2 3.8Å; Y257-Y259 AromaticContact CE1-CD2 3.95Å; Y257-Y259 HydrophobicContact CE1-CD2 3.95Å; Y257-Y259 HydrophobicContact CE1-CG 4.28Å; Y257-Y259 AromaticContact CZ-CD2 3.72Å; Y257-Y259 WeakPolarHBondContact OH-CD2 3.43Å; Y257-L270 HydrophobicContact CE1-CD1 4Å; Y257-F311 HydrophobicContact CD1-CD1 4.27Å; Y257-F311 HydrophobicContact CE1-CD1 4.44Å; Y257-F312 WeakPolarHBondContact O-CA 3.49Å; Y257-V313 HydrophobicContact CD1-CG1 4.26Å; Y257-V313 PolarHBondContact N-O 3.02Å; Y257-V313 PolarHBondContact O-N 3.09Å |
| 258 | L | 98.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.2 | -177.1 | -50.1 | 157.3 | 0 | 0 | 0 | 108.4 | Y203 S204 I205 Y220 I256 F312 V322 | Y203-L258 HydrophobicContact CD2-CD1 4.27Å; S204-L258 PolarHBondContact O-N 3.08Å; I205-L258 HydrophobicContact CB-CB 4.06Å; I205-L258 HydrophobicContact CB-CD1 4.11Å; I205-L258 HydrophobicContact CD1-CB 3.84Å; I205-L258 HydrophobicContact CD1-CD1 4.17Å; I205-L258 HydrophobicContact CG1-CB 4.15Å; I205-L258 WeakPolarHBondContact CG1-O 3.38Å; I205-L258 HydrophobicContact CG2-CD1 4.29Å; Y220-L258 HydrophobicContact CD1-CD1 4.15Å; Y220-L258 HydrophobicContact CD1-CD2 4.15Å; Y220-L258 HydrophobicContact CE1-CD1 3.92Å; Y220-L258 HydrophobicContact CE1-CD2 3.82Å; Y220-L258 HydrophobicContact CE1-CG 4.49Å; I256-L258 HydrophobicContact CD1-CD2 3.62Å; I256-L258 HydrophobicContact CG1-CD2 3.86Å; I256-L258 HydrophobicContact CG1-CG 4.32Å; I256-L258 HydrophobicContact CG2-CD2 4.26Å; I256-L258 HydrophobicContact CG2-CG 4.29Å; L258-F312 HydrophobicContact CB-CD1 4.08Å; L258-F312 HydrophobicContact CB-CE1 4.29Å; L258-F312 HydrophobicContact CD2-CD1 3.53Å; L258-F312 HydrophobicContact CD2-CE1 4.09Å; L258-F312 HydrophobicContact CG-CD1 4.42Å; L258-V322 HydrophobicContact CD2-CB 4.35Å; L258-V322 HydrophobicContact CD2-CG1 4.31Å; L258-V322 HydrophobicContact CD2-CG2 4.11Å |
| 259 | Y | 97.9 | Very high | 95.5 | Very high | 55 Ų | 55 | 41.7 Ų | 41.7 | 22% | 0.216 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 74.8 | 173.1 | -147.5 | -75 | 0 | 0 | 0 | 109.4 | Y257 K269 L270 S310 F311 | Y257-Y259 AromaticContact CE1-CD2 3.95Å; Y257-Y259 HydrophobicContact CE1-CD2 3.95Å; Y257-Y259 HydrophobicContact CE1-CG 4.28Å; Y257-Y259 AromaticContact CZ-CD2 3.72Å; Y257-Y259 WeakPolarHBondContact OH-CD2 3.43Å; Y259-K269 HydrophobicContact CD1-CB 4.44Å; Y259-K269 HydrophobicContact CE1-CB 3.61Å; Y259-K269 HydrophobicContact CE1-CD 3.89Å; Y259-K269 HydrophobicContact CE1-CG 3.92Å; Y259-L270 HydrophobicContact CD1-CD1 4.3Å; Y259-L270 HydrophobicContact CD1-CD2 4.13Å; Y259-L270 HydrophobicContact CD1-CG 3.83Å; Y259-L270 HydrophobicContact CD2-CD1 4.25Å; Y259-L270 HydrophobicContact CD2-CD2 4.21Å; Y259-L270 HydrophobicContact CD2-CG 4.37Å; Y259-L270 HydrophobicContact CE1-CD2 4.13Å; Y259-L270 HydrophobicContact CE1-CG 4.28Å; Y259-L270 HydrophobicContact CE2-CD2 4.11Å; Y259-L270 HydrophobicContact CG-CD1 3.83Å; Y259-L270 HydrophobicContact CG-CD2 4.15Å; Y259-L270 HydrophobicContact CG-CG 3.86Å; Y259-S310 WeakPolarHBondContact O-CA 3.45Å; Y259-F311 PolarHBondContact N-O 3.04Å; Y259-F311 PolarHBondContact O-N 3.2Å |
| 260 | P | 97.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.039 | 22% | 0.221 | C | C | . | . | trans | -72.4 | 169.2 | -174.7 | 35.2 | -40.6 | 0 | 0 | 0 | 111.7 | I205 F213 V217 F312 | I205-P260 HydrophobicContact CD1-CG 4.17Å; F213-P260 HydrophobicContact CD1-CG 3.46Å; F213-P260 VanDerWaalsContact CD1-CG 3.46Å; F213-P260 HydrophobicContact CE1-CG 3.64Å; F213-P260 HydrophobicContact CG-CG 4.01Å; F213-P260 HydrophobicContact CZ-CG 4.32Å; V217-P260 HydrophobicContact CB-CB 4.49Å; V217-P260 HydrophobicContact CG1-CB 4.22Å; V217-P260 HydrophobicContact CG1-CG 4.1Å; V217-P260 HydrophobicContact CG2-CB 3.88Å; P260-F312 HydrophobicContact CB-CE1 4.01Å; P260-F312 HydrophobicContact CB-CZ 3.8Å | ||
| 261 | S | 95.5 | Very high | 95.5 | Very high | 25 Ų | 25 | 39.6 Ų | 39.6 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | trans | -58.8 | 161.8 | 161.6 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | P214 H265 P266 S310 | P214-S261 VanDerWaalsContact CD-O 3.25Å; P214-S261 WeakPolarHBondContact CD-O 3.33Å; P214-S261 WeakPolarHBondContact CG-OG 3.41Å; S261-H265 WeakPolarHBondContact CA-O 3.19Å; S261-H265 WeakPolarHBondContact CB-O 3.47Å; S261-P266 WeakPolarHBondContact CB-O 3.5Å; S261-S310 WeakPolarHBondContact CB-OG 3.27Å; S261-S310 PolarHBondContact N-OG 3.27Å | ||
| 262 | T | 92.2 | Very high | 95.5 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 8% | 0.08 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -137.6 | 164.1 | 173.6 | 62.9 | 0 | 0 | 0 | 0 | 109.6 | K212 F213 S264 H265 | K212-T262 HydrophobicContact CB-CG2 4.4Å; K212-T262 WeakPolarHBondContact O-CA 3.2Å; F213-T262 HydrophobicContact CD1-CG2 4.16Å; F213-T262 HydrophobicContact CE1-CG2 4.27Å; T262-S264 PolarHBondContact O-N 2.81Å; T262-S264 PolarHBondContact OG1-OG 3.32Å; T262-H265 PolarHBondContact N-O 2.87Å; T262-H265 CarbonylContact O-C 3.01Å; T262-H265 PolarHBondContact O-N 3.27Å; T262-H265 VanDerWaalsContact O-O 3.11Å; T262-H265 PolarHBondContact OG1-N 3.14Å |
| 263 | A | 86.8 | Confident | 95.5 | Very high | 92 Ų | 92 | 36.4 Ų | 36.4 | 76% | 0.76 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -29.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K212 | K212-A263 PolarHBondContact O-N 2.86Š|
| 264 | S | 87.9 | Confident | 95.5 | Very high | 75 Ų | 75 | 30 Ų | 30 | 52% | 0.524 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -12.9 | 175.9 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | T262 | T262-S264 PolarHBondContact O-N 2.81Å; T262-S264 PolarHBondContact OG1-OG 3.32Å |
| 265 | H | 92.7 | Very high | 95.5 | Very high | 56 Ų | 56 | 30.5 Ų | 30.5 | 26% | 0.259 | 18% | 0.179 | S | C | . | . | B | Isolated β-bridge | trans | -138.4 | 75.2 | 180 | -57.9 | 74.6 | 0 | 0 | 0 | 108.2 | S261 T262 D267 G268 K269 | S261-H265 WeakPolarHBondContact CA-O 3.19Å; S261-H265 WeakPolarHBondContact CB-O 3.47Å; T262-H265 PolarHBondContact N-O 2.87Å; T262-H265 CarbonylContact O-C 3.01Å; T262-H265 PolarHBondContact O-N 3.27Å; T262-H265 VanDerWaalsContact O-O 3.11Å; T262-H265 PolarHBondContact OG1-N 3.14Å; H265-D267 PolarHBondContact O-N 3.26Å; H265-G268 PolarHBondContact O-N 2.64Å; H265-K269 HydrophobicContact CB-CG 3.86Å; H265-K269 WeakPolarHBondContact CE1-CE 3.46Å; H265-K269 VanDerWaalsContact CG-CE 3.44Å; H265-K269 WeakPolarHBondContact ND1-CE 3.39Å; H265-K269 WeakPolarHBondContact NE2-CE 3.36Å |
| 266 | P | 92 | Very high | 95.5 | Very high | 92 Ų | 92 | 30.5 Ų | 30.5 | 60% | 0.597 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28.5 | -172.2 | 24.2 | -34.2 | 0 | 0 | 0 | 113 | S261 | S261-P266 WeakPolarHBondContact CB-O 3.5Š|
| 267 | D | 93.3 | Very high | 95.5 | Very high | 107 Ų | 107 | 30.5 Ų | 30.5 | 57% | 0.572 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -0.5 | 175.8 | -57.2 | -51.2 | 0 | 0 | 0 | 113.1 | H265 R309 S310 | H265-D267 PolarHBondContact O-N 3.26Å; D267-R309 CarbonylContact O-C 3Å; D267-R309 WeakPolarHBondContact O-CA 3.45Å; D267-R309 PolarHBondContact O-N 3.5Å; D267-S310 PolarHBondContact O-N 3.42Å |
| 268 | G | 94.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | trans | 88.7 | -179.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H265 | H265-G268 PolarHBondContact O-N 2.64Š| ||
| 269 | K | 94.5 | Very high | 95.5 | Very high | 79 Ų | 79 | 30.2 Ų | 30.2 | 34% | 0.343 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -114.9 | -27.8 | -176.2 | -58.7 | -174.4 | 156.8 | -160.9 | 0 | 115 | Y259 H265 R308 | Y259-K269 HydrophobicContact CD1-CB 4.44Å; Y259-K269 HydrophobicContact CE1-CB 3.61Å; Y259-K269 HydrophobicContact CE1-CD 3.89Å; Y259-K269 HydrophobicContact CE1-CG 3.92Å; H265-K269 HydrophobicContact CB-CG 3.86Å; H265-K269 WeakPolarHBondContact CE1-CE 3.46Å; H265-K269 VanDerWaalsContact CG-CE 3.44Å; H265-K269 WeakPolarHBondContact ND1-CE 3.39Å; H265-K269 WeakPolarHBondContact NE2-CE 3.36Å; K269-R308 WeakPolarHBondContact O-CD 3.38Å; K269-R308 WeakPolarHBondContact O-CG 3.43Å; K269-R308 PolarHBondContact O-NE 3.15Å |
| 270 | L | 96.7 | Very high | 95.6 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 6% | 0.058 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 144.5 | -173.7 | -56.1 | -172.8 | 0 | 0 | 0 | 110.4 | L243 Y257 Y259 E275 R308 R309 F311 | L243-L270 HydrophobicContact CD2-CD1 4.28Å; Y257-L270 HydrophobicContact CE1-CD1 4Å; Y259-L270 HydrophobicContact CD1-CD1 4.3Å; Y259-L270 HydrophobicContact CD1-CD2 4.13Å; Y259-L270 HydrophobicContact CD1-CG 3.83Å; Y259-L270 HydrophobicContact CD2-CD1 4.25Å; Y259-L270 HydrophobicContact CD2-CD2 4.21Å; Y259-L270 HydrophobicContact CD2-CG 4.37Å; Y259-L270 HydrophobicContact CE1-CD2 4.13Å; Y259-L270 HydrophobicContact CE1-CG 4.28Å; Y259-L270 HydrophobicContact CE2-CD2 4.11Å; Y259-L270 HydrophobicContact CG-CD1 3.83Å; Y259-L270 HydrophobicContact CG-CD2 4.15Å; Y259-L270 HydrophobicContact CG-CG 3.86Å; L270-E275 VanDerWaalsContact CA-OE2 3.22Å; L270-E275 WeakPolarHBondContact CA-OE2 3.38Å; L270-R308 CarbonylContact O-C 3.34Å; L270-R308 WeakPolarHBondContact O-CA 3.44Å; L270-R309 PolarHBondContact O-N 3.02Å; L270-F311 HydrophobicContact CD1-CB 3.83Å; L270-F311 HydrophobicContact CD1-CD1 3.79Å; L270-F311 HydrophobicContact CD1-CG 4.21Å |
| 271 | R | 97.4 | Very high | 95.6 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 124.1 | -178.7 | -59.4 | -63.5 | 172.4 | 132 | 21.2 | 110.3 | Q58 E60 L273 Y274 E275 C276 H306 Q307 R308 | Q58-R271 VanDerWaalsContact CD-NH2 3.26Å; E60-R271 IonicContact OE1-NH2 3.71Å; R271-L273 VanDerWaalsContact C-N 3.33Å; R271-L273 PolarHBondContact O-N 2.91Å; R271-Y274 HydrophobicContact CB-CD2 3.57Å; R271-Y274 HydrophobicContact CB-CE2 4.36Å; R271-Y274 HydrophobicContact CB-CG 4.24Å; R271-Y274 HydrophobicContact CG-CD2 3.84Å; R271-Y274 HydrophobicContact CG-CE2 4.42Å; R271-E275 HydrophobicContact CB-CG 4.39Å; R271-E275 PolarHBondContact N-OE2 3.01Å; R271-E275 WeakPolarHBondContact O-CB 3.32Å; R271-E275 PolarHBondContact O-N 2.93Å; R271-C276 PolarHBondContact O-N 3.28Å; R271-H306 WeakPolarHBondContact CD-O 3.12Å; R271-H306 PolarHBondContact NH1-O 2.68Å; R271-Q307 WeakPolarHBondContact CA-O 3.38Å; R271-R308 VanDerWaalsContact NH2-NH2 3.15Å |
| 272 | L | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -56.9 | -49.3 | -178.7 | 176.4 | 58.2 | 0 | 0 | 0 | 111.3 | C276 N277 I297 I300 P302 Q307 R309 | L272-C276 HydrophobicContact CD1-CB 4.15Å; L272-C276 PolarHBondContact O-N 3.38Å; L272-N277 WeakPolarHBondContact CD1-OD1 3.37Å; L272-N277 VanDerWaalsContact O-CB 3.24Å; L272-N277 WeakPolarHBondContact O-CB 3.44Å; L272-N277 PolarHBondContact O-N 2.88Å; L272-N277 PolarHBondContact O-ND2 3.31Å; L272-I297 HydrophobicContact CD1-CG2 4.15Å; L272-I300 HydrophobicContact CD1-CB 4.45Å; L272-I300 HydrophobicContact CD1-CD1 4.39Å; L272-I300 HydrophobicContact CD2-CB 4.14Å; L272-I300 HydrophobicContact CD2-CG2 3.59Å; L272-P302 HydrophobicContact CD2-CB 4.23Å; L272-P302 HydrophobicContact CD2-CG 4.13Å; L272-Q307 PolarHBondContact N-O 2.78Å; L272-R309 HydrophobicContact CB-CG 4.11Å; L272-R309 HydrophobicContact CD1-CG 4.19Å; L272-R309 HydrophobicContact CD2-CG 4.39Å; L272-R309 HydrophobicContact CG-CG 4.46Å |
| 273 | L | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -75.4 | -41.8 | -172.7 | -74.2 | -176.9 | 0 | 0 | 0 | 113.9 | L108 L147 R271 P278 P302 L305 | L108-L273 HydrophobicContact CD2-CB 3.65Å; L108-L273 HydrophobicContact CD2-CD1 3.76Å; L108-L273 HydrophobicContact CD2-CD2 4.01Å; L108-L273 HydrophobicContact CD2-CG 4.02Å; L147-L273 HydrophobicContact CD2-CD1 4.19Å; R271-L273 VanDerWaalsContact C-N 3.33Å; R271-L273 PolarHBondContact O-N 2.91Å; L273-P278 WeakPolarHBondContact O-CD 3.13Å; L273-P302 HydrophobicContact CD1-CB 4.42Å; L273-P302 HydrophobicContact CD2-CB 3.89Å; L273-P302 HydrophobicContact CD2-CG 3.49Å; L273-P302 VanDerWaalsContact CD2-CG 3.49Å; L273-P302 HydrophobicContact CG-CB 4.22Å; L273-P302 HydrophobicContact CG-CG 4.32Å; L273-L305 HydrophobicContact CD1-CD2 4.44Å; L273-L305 WeakPolarHBondContact CD1-O 3.16Å |
| 274 | Y | 96.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -89.9 | -30.9 | -171.3 | -44.5 | -48.7 | 0 | 0 | 0 | 113 | A87 E89 L108 I127 R271 P278 L305 H306 | A87-Y274 HydrophobicContact CB-CE1 3.86Å; E89-Y274 HydrophobicContact CB-CD2 3.97Å; E89-Y274 HydrophobicContact CB-CG 4.47Å; L108-Y274 HydrophobicContact CB-CD1 4.06Å; L108-Y274 HydrophobicContact CB-CE1 4.36Å; L108-Y274 HydrophobicContact CD2-CD1 4.44Å; L108-Y274 HydrophobicContact CD2-CE1 4.18Å; I127-Y274 VanDerWaalsContact CG2-O 3.26Å; I127-Y274 WeakPolarHBondContact CG2-O 3.3Å; R271-Y274 HydrophobicContact CB-CD2 3.57Å; R271-Y274 HydrophobicContact CB-CE2 4.36Å; R271-Y274 HydrophobicContact CB-CG 4.24Å; R271-Y274 HydrophobicContact CG-CD2 3.84Å; R271-Y274 HydrophobicContact CG-CE2 4.42Å; Y274-P278 WeakPolarHBondContact O-CG 3.36Å; Y274-L305 PolarHBondContact OH-O 2.81Å; Y274-H306 AromaticContact CE2-CE1 3.9Å; Y274-H306 AromaticContact CE2-ND1 3.5Å; Y274-H306 WeakPolarHBondContact CE2-ND1 3.31Å; Y274-H306 AromaticContact CZ-ND1 3.94Å; Y274-H306 PolarHBondContact OH-CE1 2.84Å; Y274-H306 PolarHBondContact OH-ND1 3.47Å |
| 275 | E | 98.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 5% | 0.051 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -117.4 | -59.2 | -172.2 | -60.1 | 179.1 | 86.9 | 0 | 0 | 111.4 | D110 I127 L243 L270 R271 P278 M279 | D110-E275 HydrophobicContact CB-CG 4.39Å; I127-E275 HydrophobicContact CD1-CB 4.41Å; I127-E275 HydrophobicContact CD1-CG 4.23Å; L243-E275 HydrophobicContact CD2-CB 3.72Å; L243-E275 HydrophobicContact CD2-CG 4.33Å; L270-E275 VanDerWaalsContact CA-OE2 3.22Å; L270-E275 WeakPolarHBondContact CA-OE2 3.38Å; R271-E275 HydrophobicContact CB-CG 4.39Å; R271-E275 PolarHBondContact N-OE2 3.01Å; R271-E275 WeakPolarHBondContact O-CB 3.32Å; R271-E275 PolarHBondContact O-N 2.93Å; E275-P278 WeakPolarHBondContact O-CD 3.45Å; E275-P278 WeakPolarHBondContact O-CG 3.34Å; E275-M279 VanDerWaalsContact O-CB 3.31Å; E275-M279 WeakPolarHBondContact O-CB 3.47Å; E275-M279 WeakPolarHBondContact O-CG 3.22Å; E275-M279 PolarHBondContact O-N 2.95Å |
| 276 | C | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -66.8 | -49.8 | -170.2 | -57.2 | 0 | 0 | 0 | 0 | 112.5 | R271 L272 M279 A280 I297 F311 | R271-C276 PolarHBondContact O-N 3.28Å; L272-C276 HydrophobicContact CD1-CB 4.15Å; L272-C276 PolarHBondContact O-N 3.38Å; C276-M279 PolarHBondContact O-N 3Å; C276-A280 WeakPolarHBondContact O-CB 3.44Å; C276-A280 PolarHBondContact O-N 2.84Å; C276-I297 HydrophobicContact CB-CD1 4.37Å; C276-I297 HydrophobicContact CB-CG2 3.82Å; C276-F311 HydrophobicContact CB-CD2 3.74Å; C276-F311 HydrophobicContact CB-CE2 3.76Å; C276-F311 HydrophobicContact CB-CG 4.35Å; C276-F311 HydrophobicContact CB-CZ 4.36Å |
| 277 | N | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.2 | -52.9 | -178.3 | -80.4 | -15.1 | 0 | 0 | 0 | 113.6 | Q153 L272 M279 A280 F281 I297 L298 | Q153-N277 PolarHBondContact NE2-O 3.02Å; L272-N277 WeakPolarHBondContact CD1-OD1 3.37Å; L272-N277 VanDerWaalsContact O-CB 3.24Å; L272-N277 WeakPolarHBondContact O-CB 3.44Å; L272-N277 PolarHBondContact O-N 2.88Å; L272-N277 PolarHBondContact O-ND2 3.31Å; N277-M279 PolarHBondContact O-N 2.63Å; N277-A280 PolarHBondContact O-N 3.43Å; N277-F281 PolarHBondContact O-N 3.43Å; N277-I297 PolarHBondContact OD1-O 3.44Å; N277-L298 WeakPolarHBondContact O-CD2 3.21Å |
| 278 | P | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.5 | -40.1 | 179 | 19.1 | -29.8 | 0 | 0 | 0 | 112.9 | I127 F128 Q153 A156 L273 Y274 E275 F281 L282 | I127-P278 HydrophobicContact CG2-CB 3.75Å; I127-P278 HydrophobicContact CG2-CG 3.37Å; F128-P278 WeakPolarHBondContact O-CB 3.47Å; Q153-P278 VanDerWaalsContact OE1-CA 3.29Å; A156-P278 HydrophobicContact CB-CB 3.77Å; L273-P278 WeakPolarHBondContact O-CD 3.13Å; Y274-P278 WeakPolarHBondContact O-CG 3.36Å; E275-P278 WeakPolarHBondContact O-CD 3.45Å; E275-P278 WeakPolarHBondContact O-CG 3.34Å; P278-F281 PolarHBondContact O-N 2.8Å; P278-L282 PolarHBondContact O-N 3.16Å; P278-L282 VanDerWaalsContact O-N 3.13Å |
| 279 | M | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.6 | -36.2 | 179.9 | -60.9 | -55.5 | -76.7 | 0 | 0 | 111.8 | I127 Y158 L243 F247 E275 C276 N277 L282 A283 F311 | I127-M279 HydrophobicContact CD1-CG 4.32Å; I127-M279 HydrophobicContact CD1-SD 4.41Å; I127-M279 HydrophobicContact CG1-SD 4.49Å; I127-M279 HydrophobicContact CG2-CG 4.35Å; I127-M279 HydrophobicContact CG2-SD 4.13Å; Y158-M279 HydrophobicContact CD1-CE 4.04Å; Y158-M279 HydrophobicContact CD1-SD 3.92Å; Y158-M279 HydrophobicContact CE1-CE 4.4Å; L243-M279 HydrophobicContact CD2-CG 4.02Å; L243-M279 HydrophobicContact CG-CE 4.48Å; L243-M279 HydrophobicContact CG-CG 4.36Å; F247-M279 HydrophobicContact CB-CE 3.34Å; F247-M279 HydrophobicContact CD1-CE 3.22Å; F247-M279 HydrophobicContact CD2-CE 3.76Å; F247-M279 HydrophobicContact CE1-CE 3.89Å; F247-M279 HydrophobicContact CE2-CE 4.33Å; F247-M279 HydrophobicContact CG-CE 3.14Å; F247-M279 HydrophobicContact CZ-CE 4.39Å; E275-M279 VanDerWaalsContact O-CB 3.31Å; E275-M279 WeakPolarHBondContact O-CB 3.47Å; E275-M279 WeakPolarHBondContact O-CG 3.22Å; E275-M279 PolarHBondContact O-N 2.95Å; C276-M279 PolarHBondContact O-N 3Å; N277-M279 PolarHBondContact O-N 2.63Å; M279-L282 PolarHBondContact O-N 2.95Å; M279-L282 HydrophobicContact SD-CD1 4.1Å; M279-A283 WeakPolarHBondContact O-CB 3.39Å; M279-A283 PolarHBondContact O-N 3.13Å; M279-F311 HydrophobicContact CB-CE1 4.12Å; M279-F311 HydrophobicContact CB-CZ 3.87Å |
| 280 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.5 | -41.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C276 N277 L282 A283 E284 A290 I297 L298 F311 | C276-A280 WeakPolarHBondContact O-CB 3.44Å; C276-A280 PolarHBondContact O-N 2.84Å; N277-A280 PolarHBondContact O-N 3.43Å; A280-L282 PolarHBondContact O-N 3.18Å; A280-A283 WeakPolarHBondContact O-CB 3.4Å; A280-A283 PolarHBondContact O-N 2.84Å; A280-A283 VanDerWaalsContact O-N 3.17Å; A280-E284 PolarHBondContact O-N 3.41Å; A280-A290 HydrophobicContact CB-CB 3.36Å; A280-I297 HydrophobicContact CB-CB 3.89Å; A280-I297 HydrophobicContact CB-CG2 3.63Å; A280-L298 HydrophobicContact CB-CD1 4.49Å; A280-L298 HydrophobicContact CB-CD2 3.67Å; A280-L298 HydrophobicContact CB-CG 3.85Å; A280-F311 HydrophobicContact CB-CE2 4.43Å |
| 281 | F | 98.8 | Very high | 98.5 | Very high | 22 Ų | 22 | 12 Ų | 12 | 10% | 0.096 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.3 | -43.3 | 178.7 | -172.6 | -160.1 | 0 | 0 | 0 | 111.6 | Q153 A156 T170 N277 P278 A283 Q285 L298 | Q153-F281 HydrophobicContact CB-CD1 3.64Å; Q153-F281 HydrophobicContact CB-CE1 3.8Å; Q153-F281 HydrophobicContact CG-CD1 4.49Å; A156-F281 HydrophobicContact CB-CB 4.29Å; A156-F281 HydrophobicContact CB-CD1 3.73Å; A156-F281 HydrophobicContact CB-CG 4.46Å; T170-F281 HydrophobicContact CG2-CD1 3.88Å; T170-F281 HydrophobicContact CG2-CD2 4.34Å; T170-F281 HydrophobicContact CG2-CE1 4.07Å; T170-F281 HydrophobicContact CG2-CG 4.03Å; T170-F281 HydrophobicContact CG2-CZ 4.38Å; N277-F281 PolarHBondContact O-N 3.43Å; P278-F281 PolarHBondContact O-N 2.8Å; F281-A283 VanDerWaalsContact C-N 3.35Å; F281-Q285 HydrophobicContact CD2-CG 3.74Å; F281-Q285 HydrophobicContact CE2-CG 3.65Å; F281-Q285 WeakPolarHBondContact O-CB 3.22Å; F281-Q285 WeakPolarHBondContact O-CG 3.29Å; F281-Q285 PolarHBondContact O-N 3Å; F281-Q285 VanDerWaalsContact O-N 3.13Å; F281-L298 HydrophobicContact CB-CD1 4.38Å; F281-L298 HydrophobicContact CB-CD2 4.22Å |
| 282 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 171.3 | -74.6 | 160.5 | 0 | 0 | 0 | 112 | Y158 T170 V175 F247 P278 M279 A280 E284 Q285 A286 | Y158-L282 HydrophobicContact CD1-CD1 3.45Å; Y158-L282 VanDerWaalsContact CD1-CD1 3.45Å; Y158-L282 HydrophobicContact CE1-CD1 3.79Å; T170-L282 HydrophobicContact CG2-CD2 3.77Å; T170-L282 HydrophobicContact CG2-CG 4.09Å; V175-L282 HydrophobicContact CG1-CD2 3.82Å; V175-L282 HydrophobicContact CG2-CD2 4.07Å; V175-L282 WeakPolarHBondContact CG2-O 3.09Å; F247-L282 HydrophobicContact CE1-CB 4.27Å; F247-L282 HydrophobicContact CZ-CB 3.97Å; P278-L282 PolarHBondContact O-N 3.16Å; P278-L282 VanDerWaalsContact O-N 3.13Å; M279-L282 PolarHBondContact O-N 2.95Å; M279-L282 HydrophobicContact SD-CD1 4.1Å; A280-L282 PolarHBondContact O-N 3.18Å; L282-E284 PolarHBondContact O-N 2.89Å; L282-Q285 PolarHBondContact O-N 3.48Å; L282-A286 WeakPolarHBondContact O-CB 2.99Å; L282-A286 PolarHBondContact O-N 2.6Å |
| 283 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59 | -51.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F196 F247 M279 A280 F281 Q285 A286 G287 G288 V313 | F196-A283 HydrophobicContact CE2-CB 4.29Å; F247-A283 HydrophobicContact CE2-CB 3.97Å; F247-A283 HydrophobicContact CZ-CB 4.26Å; M279-A283 WeakPolarHBondContact O-CB 3.39Å; M279-A283 PolarHBondContact O-N 3.13Å; A280-A283 WeakPolarHBondContact O-CB 3.4Å; A280-A283 PolarHBondContact O-N 2.84Å; A280-A283 VanDerWaalsContact O-N 3.17Å; F281-A283 VanDerWaalsContact C-N 3.35Å; A283-Q285 VanDerWaalsContact C-N 3.35Å; A283-Q285 PolarHBondContact O-N 2.79Å; A283-A286 CarbonylContact O-C 3.56Å; A283-A286 WeakPolarHBondContact O-CA 3.46Å; A283-A286 WeakPolarHBondContact O-CB 3.43Å; A283-A286 PolarHBondContact O-N 3.05Å; A283-A286 VanDerWaalsContact O-N 3.09Å; A283-G287 PolarHBondContact O-N 2.96Å; A283-G288 WeakPolarHBondContact O-CA 3.35Å; A283-G288 PolarHBondContact O-N 3.01Å; A283-V313 HydrophobicContact CB-CG2 3.45Å; A283-V313 VanDerWaalsContact CB-CG2 3.45Å |
| 284 | E | 98.8 | Very high | 98.3 | Very high | 52 Ų | 52 | 21.8 Ų | 21.8 | 24% | 0.243 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.4 | -37.4 | -179.1 | -68.5 | -174.7 | -164.1 | 0 | 0 | 112.4 | A280 L282 A286 G287 R296 L298 | A280-E284 PolarHBondContact O-N 3.41Å; L282-E284 PolarHBondContact O-N 2.89Å; E284-A286 PolarHBondContact O-N 3.09Å; E284-G287 PolarHBondContact O-N 3.36Å; E284-R296 VanDerWaalsContact CD-NE 3.33Å; E284-R296 IonicContact OE1-CZ 3.11Å; E284-R296 IonicContact OE1-NE 2.79Å; E284-R296 PolarHBondContact OE1-NE 3.11Å; E284-R296 IonicContact OE1-NH2 2.68Å; E284-R296 PolarHBondContact OE1-NH2 3.33Å; E284-R296 IonicContact OE2-CZ 3.53Å; E284-R296 IonicContact OE2-NE 2.97Å; E284-R296 PolarHBondContact OE2-NE 2.58Å; E284-R296 IonicContact OE2-NH2 3.54Å; E284-R296 PolarHBondContact OE2-NH2 2.82Å; E284-L298 HydrophobicContact CG-CD1 4.47Å |
| 285 | Q | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 27.4 Ų | 27.4 | 26% | 0.257 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -66.4 | -22.4 | 174.8 | -69.4 | -66.1 | -45.6 | 0 | 0 | 112.8 | T170 G172 G174 V175 F281 L282 A283 | T170-Q285 HydrophobicContact CG2-CB 4.41Å; T170-Q285 HydrophobicContact CG2-CG 4.17Å; T170-Q285 WeakPolarHBondContact OG1-CG 3.21Å; G172-Q285 PolarHBondContact O-OE1 3.1Å; G172-Q285 VanDerWaalsContact O-OE1 3.08Å; G174-Q285 VanDerWaalsContact N-OE1 3.13Å; V175-Q285 HydrophobicContact CG2-CB 3.71Å; F281-Q285 HydrophobicContact CD2-CG 3.74Å; F281-Q285 HydrophobicContact CE2-CG 3.65Å; F281-Q285 WeakPolarHBondContact O-CB 3.22Å; F281-Q285 WeakPolarHBondContact O-CG 3.29Å; F281-Q285 PolarHBondContact O-N 3Å; F281-Q285 VanDerWaalsContact O-N 3.13Å; L282-Q285 PolarHBondContact O-N 3.48Å; A283-Q285 VanDerWaalsContact C-N 3.35Å; A283-Q285 PolarHBondContact O-N 2.79Å |
| 286 | A | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 7.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V175 M194 R195 F196 L251 L282 A283 E284 G288 | V175-A286 HydrophobicContact CG2-CB 3.99Å; M194-A286 WeakPolarHBondContact O-CA 3.42Å; M194-A286 WeakPolarHBondContact O-CB 3.38Å; R195-A286 VanDerWaalsContact CA-O 3.25Å; R195-A286 WeakPolarHBondContact CA-O 3.5Å; F196-A286 HydrophobicContact CD2-CB 3.84Å; F196-A286 HydrophobicContact CE2-CB 3.99Å; F196-A286 PolarHBondContact N-O 2.86Å; L251-A286 HydrophobicContact CD1-CB 3.46Å; L251-A286 VanDerWaalsContact CD1-CB 3.46Å; L282-A286 WeakPolarHBondContact O-CB 2.99Å; L282-A286 PolarHBondContact O-N 2.6Å; A283-A286 CarbonylContact O-C 3.56Å; A283-A286 WeakPolarHBondContact O-CA 3.46Å; A283-A286 WeakPolarHBondContact O-CB 3.43Å; A283-A286 PolarHBondContact O-N 3.05Å; A283-A286 VanDerWaalsContact O-N 3.09Å; E284-A286 PolarHBondContact O-N 3.09Å; A286-G288 VanDerWaalsContact C-N 3.34Å |
| 287 | G | 98.2 | Very high | 98.4 | Very high | 36 Ų | 36 | 30.9 Ų | 30.9 | 37% | 0.371 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 17.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A283 E284 | A283-G287 PolarHBondContact O-N 2.96Å; E284-G287 PolarHBondContact O-N 3.36Å |
| 288 | G | 98.6 | Very high | 98.3 | Very high | 11 Ų | 11 | 31 Ų | 31 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | trans | -94.9 | -166.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A283 A286 G314 | A283-G288 WeakPolarHBondContact O-CA 3.35Å; A283-G288 PolarHBondContact O-N 3.01Å; A286-G288 VanDerWaalsContact C-N 3.34Å; G288-G314 CarbonylContact C-O 3.47Å; G288-G314 WeakPolarHBondContact CA-O 3.37Å | ||
| 289 | K | 98.8 | Very high | 98.3 | Very high | 54 Ų | 54 | 34.7 Ų | 34.7 | 24% | 0.235 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 154.1 | 179.1 | -171.3 | 177.7 | -177.9 | -177.1 | 0 | 110.6 | V313 G314 D316 V319 E320 E323 | K289-V313 WeakPolarHBondContact O-CA 3.4Å; K289-G314 PolarHBondContact N-O 3Å; K289-G314 PolarHBondContact O-N 3.35Å; K289-D316 HydrophobicContact CB-CB 4.26Å; K289-V319 HydrophobicContact CB-CB 4.04Å; K289-V319 HydrophobicContact CB-CG1 4.18Å; K289-V319 HydrophobicContact CB-CG2 4.26Å; K289-V319 HydrophobicContact CD-CB 4.1Å; K289-V319 HydrophobicContact CD-CG1 3.81Å; K289-V319 HydrophobicContact CG-CB 4.24Å; K289-V319 HydrophobicContact CG-CG1 3.87Å; K289-E320 HydrophobicContact CD-CG 4.11Å; K289-E323 IonicContact NZ-OE1 3.45Å; K289-E323 IonicContact NZ-OE2 2.67Å; K289-E323 PolarHBondContact NZ-OE2 3.09Å |
| 290 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 134 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A280 I297 F311 F312 V313 | A280-A290 HydrophobicContact CB-CB 3.36Å; A290-I297 HydrophobicContact CB-CB 4.27Å; A290-I297 HydrophobicContact CB-CG1 4.14Å; A290-I297 PolarHBondContact O-N 2.77Å; A290-F311 HydrophobicContact CB-CE2 4.07Å; A290-F312 CarbonylContact C-O 3.6Å; A290-F312 VanDerWaalsContact CA-O 3.27Å; A290-F312 WeakPolarHBondContact CA-O 3.41Å; A290-V313 HydrophobicContact CB-CB 4.17Å; A290-V313 HydrophobicContact CB-CG2 3.88Å |
| 291 | S | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 152.3 | -174.5 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | G293 E295 F312 E323 | S291-G293 PolarHBondContact OG-N 2.72Å; S291-E295 WeakPolarHBondContact CA-O 3.18Å; S291-E295 PolarHBondContact OG-O 3.5Å; S291-F312 PolarHBondContact N-O 3.1Å; S291-F312 PolarHBondContact O-N 2.71Å; S291-E323 WeakPolarHBondContact CB-OE1 3.36Å; S291-E323 PolarHBondContact OG-OE1 3.04Å |
| 292 | D | 98 | Very high | 98.2 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 15% | 0.15 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -86.5 | 3.9 | 166 | 77.8 | -11.8 | 0 | 0 | 0 | 112.6 | K294 E295 I297 I300 S310 F312 | D292-K294 WeakPolarHBondContact OD1-CA 3.2Å; D292-K294 PolarHBondContact OD1-N 3.49Å; D292-E295 PolarHBondContact N-O 3.45Å; D292-E295 VanDerWaalsContact N-O 3.09Å; D292-E295 PolarHBondContact OD1-N 2.91Å; D292-I297 HydrophobicContact CB-CD1 3.86Å; D292-I300 HydrophobicContact CB-CD1 4.34Å; D292-S310 WeakPolarHBondContact CA-O 3.49Å; D292-S310 WeakPolarHBondContact CB-O 3.32Å; D292-S310 WeakPolarHBondContact O-CB 3.46Å; D292-F312 WeakPolarHBondContact O-CE2 3.28Å |
| 293 | G | 96.9 | Very high | 98.2 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 101.6 | -11.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | S291 | S291-G293 PolarHBondContact OG-N 2.72Š|
| 294 | K | 95 | Very high | 98.1 | Very high | 178 Ų | 178 | 50.9 Ų | 50.9 | 77% | 0.774 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -132 | -45.2 | 179.5 | -62.1 | 176.4 | -176.9 | 172.5 | 0 | 112 | D292 | D292-K294 WeakPolarHBondContact OD1-CA 3.2Å; D292-K294 PolarHBondContact OD1-N 3.49Å |
| 295 | E | 97.2 | Very high | 98 | Very high | 120 Ų | 120 | 48.8 Ų | 48.8 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -124.7 | 153.4 | -172.1 | -59.2 | -176.1 | 141.3 | 0 | 0 | 111 | S291 D292 I297 | S291-E295 WeakPolarHBondContact CA-O 3.18Å; S291-E295 PolarHBondContact OG-O 3.5Å; D292-E295 PolarHBondContact N-O 3.45Å; D292-E295 VanDerWaalsContact N-O 3.09Å; D292-E295 PolarHBondContact OD1-N 2.91Å; E295-I297 PolarHBondContact O-N 2.95Å |
| 296 | R | 98.6 | Very high | 97.9 | Very high | 85 Ų | 85 | 47.9 Ų | 47.9 | 32% | 0.321 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -68.4 | 125.6 | 173.6 | 174.5 | 171.5 | 169.8 | -101.5 | 0.6 | 109.3 | E284 L298 D299 | E284-R296 VanDerWaalsContact CD-NE 3.33Å; E284-R296 IonicContact OE1-CZ 3.11Å; E284-R296 IonicContact OE1-NE 2.79Å; E284-R296 PolarHBondContact OE1-NE 3.11Å; E284-R296 IonicContact OE1-NH2 2.68Å; E284-R296 PolarHBondContact OE1-NH2 3.33Å; E284-R296 IonicContact OE2-CZ 3.53Å; E284-R296 IonicContact OE2-NE 2.97Å; E284-R296 PolarHBondContact OE2-NE 2.58Å; E284-R296 IonicContact OE2-NH2 3.54Å; E284-R296 PolarHBondContact OE2-NH2 2.82Å; R296-L298 VanDerWaalsContact C-N 3.27Å; R296-L298 PolarHBondContact O-N 2.87Å; R296-L298 VanDerWaalsContact O-N 3.17Å; R296-D299 WeakPolarHBondContact CD-OD2 3.39Å; R296-D299 IonicContact CZ-OD2 2.71Å; R296-D299 IonicContact NE-OD2 3.36Å; R296-D299 IonicContact NH1-OD1 3.75Å; R296-D299 PolarHBondContact NH1-OD1 2.99Å; R296-D299 IonicContact NH1-OD2 3.45Å; R296-D299 PolarHBondContact NH1-OD2 3.4Å; R296-D299 PolarHBondContact O-N 2.95Å |
| 297 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -53.4 | -43.7 | -174.3 | -69.3 | -72.6 | 0 | 0 | 0 | 112.6 | L272 C276 N277 A280 A290 D292 E295 D299 I300 F311 | L272-I297 HydrophobicContact CD1-CG2 4.15Å; C276-I297 HydrophobicContact CB-CD1 4.37Å; C276-I297 HydrophobicContact CB-CG2 3.82Å; N277-I297 PolarHBondContact OD1-O 3.44Å; A280-I297 HydrophobicContact CB-CB 3.89Å; A280-I297 HydrophobicContact CB-CG2 3.63Å; A290-I297 HydrophobicContact CB-CB 4.27Å; A290-I297 HydrophobicContact CB-CG1 4.14Å; A290-I297 PolarHBondContact O-N 2.77Å; D292-I297 HydrophobicContact CB-CD1 3.86Å; E295-I297 PolarHBondContact O-N 2.95Å; I297-D299 PolarHBondContact O-N 3.43Å; I297-I300 HydrophobicContact CD1-CD1 4.13Å; I297-I300 PolarHBondContact O-N 2.94Å; I297-F311 HydrophobicContact CD1-CD2 3.75Å; I297-F311 HydrophobicContact CD1-CE2 4.22Å; I297-F311 HydrophobicContact CG1-CD2 3.83Å; I297-F311 HydrophobicContact CG1-CE2 3.85Å; I297-F311 HydrophobicContact CG2-CE2 4.26Å |
| 298 | L | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -69.4 | -13 | -176 | -62.4 | -177.9 | 0 | 0 | 0 | 114.4 | G150 N151 N277 A280 F281 E284 R296 | G150-L298 CarbonylContact C-O 3.54Å; G150-L298 PolarHBondContact N-O 3.27Å; G150-L298 VanDerWaalsContact N-O 3.17Å; N151-L298 HydrophobicContact CB-CB 4.21Å; N151-L298 WeakPolarHBondContact CB-O 3.13Å; N151-L298 PolarHBondContact N-O 3.38Å; N151-L298 PolarHBondContact ND2-O 2.94Å; N277-L298 WeakPolarHBondContact O-CD2 3.21Å; A280-L298 HydrophobicContact CB-CD1 4.49Å; A280-L298 HydrophobicContact CB-CD2 3.67Å; A280-L298 HydrophobicContact CB-CG 3.85Å; F281-L298 HydrophobicContact CB-CD1 4.38Å; F281-L298 HydrophobicContact CB-CD2 4.22Å; E284-L298 HydrophobicContact CG-CD1 4.47Å; R296-L298 VanDerWaalsContact C-N 3.27Å; R296-L298 PolarHBondContact O-N 2.87Å; R296-L298 VanDerWaalsContact O-N 3.17Å |
| 299 | D | 98.7 | Very high | 97.7 | Very high | 77 Ų | 77 | 51.9 Ų | 51.9 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -98.3 | -8 | 179.2 | -64.6 | -36.9 | 0 | 0 | 0 | 113.3 | N151 R296 I297 I301 | N151-D299 PolarHBondContact ND2-OD1 2.79Å; R296-D299 WeakPolarHBondContact CD-OD2 3.39Å; R296-D299 IonicContact CZ-OD2 2.71Å; R296-D299 IonicContact NE-OD2 3.36Å; R296-D299 IonicContact NH1-OD1 3.75Å; R296-D299 PolarHBondContact NH1-OD1 2.99Å; R296-D299 IonicContact NH1-OD2 3.45Å; R296-D299 PolarHBondContact NH1-OD2 3.4Å; R296-D299 PolarHBondContact O-N 2.95Å; I297-D299 PolarHBondContact O-N 3.43Å; D299-I301 PolarHBondContact O-N 2.99Å |
| 300 | I | 98.5 | Very high | 97.7 | Very high | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.046 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 127.1 | 177.4 | -57.6 | 174.4 | 0 | 0 | 0 | 109 | P149 L272 D292 I297 P302 R309 | P149-I300 WeakPolarHBondContact CA-O 3.36Å; P149-I300 WeakPolarHBondContact CB-O 3.21Å; L272-I300 HydrophobicContact CD1-CB 4.45Å; L272-I300 HydrophobicContact CD1-CD1 4.39Å; L272-I300 HydrophobicContact CD2-CB 4.14Å; L272-I300 HydrophobicContact CD2-CG2 3.59Å; D292-I300 HydrophobicContact CB-CD1 4.34Å; I297-I300 HydrophobicContact CD1-CD1 4.13Å; I297-I300 PolarHBondContact O-N 2.94Å; I300-P302 WeakPolarHBondContact O-CD 3.11Å; I300-R309 HydrophobicContact CD1-CG 4.43Å |
| 301 | I | 98 | Very high | 97.7 | Very high | 123 Ų | 123 | 50 Ų | 50 | 63% | 0.631 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -83.1 | 116.8 | 173.6 | -59.6 | 174.3 | 0 | 0 | 0 | 108 | D299 | D299-I301 PolarHBondContact O-N 2.99Š|
| 302 | P | 98.2 | Very high | 97.7 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 5% | 0.045 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 135.8 | 179.7 | -17.5 | 32 | 0 | 0 | 0 | 111.6 | L147 Q148 L272 L273 I300 Q307 | L147-P302 HydrophobicContact CD2-CB 4.13Å; Q148-P302 VanDerWaalsContact O-CG 3.3Å; Q148-P302 WeakPolarHBondContact O-CG 3.39Å; L272-P302 HydrophobicContact CD2-CB 4.23Å; L272-P302 HydrophobicContact CD2-CG 4.13Å; L273-P302 HydrophobicContact CD1-CB 4.42Å; L273-P302 HydrophobicContact CD2-CB 3.89Å; L273-P302 HydrophobicContact CD2-CG 3.49Å; L273-P302 VanDerWaalsContact CD2-CG 3.49Å; L273-P302 HydrophobicContact CG-CB 4.22Å; L273-P302 HydrophobicContact CG-CG 4.32Å; I300-P302 WeakPolarHBondContact O-CD 3.11Å; P302-Q307 VanDerWaalsContact CA-OE1 3.25Å |
| 303 | E | 97.7 | Very high | 97.7 | Very high | 149 Ų | 149 | 48.9 Ų | 48.9 | 70% | 0.696 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -99.9 | -28.8 | 178.7 | -65.9 | 175.6 | 177.7 | 0 | 0 | 112.6 | ||
| 304 | T | 97.5 | Very high | 97.8 | Very high | 75 Ų | 75 | 48.6 Ų | 48.6 | 46% | 0.46 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -141.3 | 152.6 | 179.1 | 67.1 | 0 | 0 | 0 | 0 | 109.5 | L147 H306 Q307 | L147-T304 VanDerWaalsContact CD2-C 3.41Å; T304-H306 PolarHBondContact O-N 2.94Å; T304-H306 VanDerWaalsContact O-N 3.14Å; T304-Q307 WeakPolarHBondContact O-CB 3.36Å; T304-Q307 PolarHBondContact O-N 3.44Å; T304-Q307 PolarHBondContact OG1-N 2.94Å |
| 305 | L | 96.8 | Very high | 98 | Very high | 9 Ų | 9 | 40.2 Ų | 40.2 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -36.8 | 179.7 | -68 | 172.5 | 0 | 0 | 0 | 111.9 | A87 I94 E143 F146 L147 L273 Y274 | A87-L305 HydrophobicContact CB-CD2 4.41Å; I94-L305 HydrophobicContact CG2-CD1 3.69Å; I94-L305 HydrophobicContact CG2-CD2 3.82Å; I94-L305 HydrophobicContact CG2-CG 4.42Å; E143-L305 HydrophobicContact CG-CD1 4.24Å; F146-L305 HydrophobicContact CB-CD2 3.75Å; L147-L305 HydrophobicContact CD2-CD2 4.22Å; L273-L305 HydrophobicContact CD1-CD2 4.44Å; L273-L305 WeakPolarHBondContact CD1-O 3.16Å; Y274-L305 PolarHBondContact OH-O 2.81Å |
| 306 | H | 96.1 | Very high | 98 | Very high | 35 Ų | 35 | 37.7 Ų | 37.7 | 16% | 0.162 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 16.6 | -167.4 | -76.2 | -48.7 | 0 | 0 | 0 | 112.7 | Q58 E91 D92 R271 Y274 T304 R308 | Q58-H306 PolarHBondContact NE2-CD2 3.14Å; Q58-H306 VanDerWaalsContact NE2-CD2 3.28Å; Q58-H306 PolarHBondContact NE2-CE1 3.41Å; Q58-H306 PolarHBondContact NE2-ND1 3.18Å; E91-H306 PolarHBondContact O-CE1 3.27Å; E91-H306 PolarHBondContact O-NE2 3.1Å; D92-H306 PolarHBondContact O-CD2 2.85Å; D92-H306 PolarHBondContact O-NE2 2.86Å; R271-H306 WeakPolarHBondContact CD-O 3.12Å; R271-H306 PolarHBondContact NH1-O 2.68Å; Y274-H306 AromaticContact CE2-CE1 3.9Å; Y274-H306 AromaticContact CE2-ND1 3.5Å; Y274-H306 WeakPolarHBondContact CE2-ND1 3.31Å; Y274-H306 AromaticContact CZ-ND1 3.94Å; Y274-H306 PolarHBondContact OH-CE1 2.84Å; Y274-H306 PolarHBondContact OH-ND1 3.47Å; T304-H306 PolarHBondContact O-N 2.94Å; T304-H306 VanDerWaalsContact O-N 3.14Å; H306-R308 PolarHBondContact O-N 3.24Å |
| 307 | Q | 97.3 | Very high | 97.9 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 7% | 0.065 | 18% | 0.179 | C | C | . | . | trans | -61.4 | 131.7 | -176.4 | -170 | 171 | 34 | 0 | 0 | 112 | R271 L272 P302 T304 | R271-Q307 WeakPolarHBondContact CA-O 3.38Å; L272-Q307 PolarHBondContact N-O 2.78Å; P302-Q307 VanDerWaalsContact CA-OE1 3.25Å; T304-Q307 WeakPolarHBondContact O-CB 3.36Å; T304-Q307 PolarHBondContact O-N 3.44Å; T304-Q307 PolarHBondContact OG1-N 2.94Å | ||
| 308 | R | 97.1 | Very high | 97.9 | Very high | 71 Ų | 71 | 36.1 Ų | 36.1 | 27% | 0.268 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 149.9 | 178.9 | -67.7 | 175.5 | 169 | 134.6 | -5.7 | 111.9 | E60 K269 L270 R271 H306 | E60-R308 IonicContact OE1-NH2 3.24Å; E60-R308 PolarHBondContact OE1-NH2 3.36Å; K269-R308 WeakPolarHBondContact O-CD 3.38Å; K269-R308 WeakPolarHBondContact O-CG 3.43Å; K269-R308 PolarHBondContact O-NE 3.15Å; L270-R308 CarbonylContact O-C 3.34Å; L270-R308 WeakPolarHBondContact O-CA 3.44Å; R271-R308 VanDerWaalsContact NH2-NH2 3.15Å; H306-R308 PolarHBondContact O-N 3.24Å |
| 309 | R | 97.3 | Very high | 97.9 | Very high | 47 Ų | 47 | 36 Ų | 36 | 18% | 0.177 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 154 | 177.8 | -73.5 | -63 | -178.1 | -99.4 | 7.7 | 112.4 | D267 L270 L272 I300 | D267-R309 CarbonylContact O-C 3Å; D267-R309 WeakPolarHBondContact O-CA 3.45Å; D267-R309 PolarHBondContact O-N 3.5Å; L270-R309 PolarHBondContact O-N 3.02Å; L272-R309 HydrophobicContact CB-CG 4.11Å; L272-R309 HydrophobicContact CD1-CG 4.19Å; L272-R309 HydrophobicContact CD2-CG 4.39Å; L272-R309 HydrophobicContact CG-CG 4.46Å; I300-R309 HydrophobicContact CD1-CG 4.43Å |
| 310 | S | 98 | Very high | 97.9 | Very high | 14 Ų | 14 | 36.9 Ų | 36.9 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | trans | -68.1 | 150.8 | 158.3 | -64.1 | 0 | 0 | 0 | 0 | 108.4 | Y259 S261 D267 D292 | Y259-S310 WeakPolarHBondContact O-CA 3.45Å; S261-S310 WeakPolarHBondContact CB-OG 3.27Å; S261-S310 PolarHBondContact N-OG 3.27Å; D267-S310 PolarHBondContact O-N 3.42Å; D292-S310 WeakPolarHBondContact CA-O 3.49Å; D292-S310 WeakPolarHBondContact CB-O 3.32Å; D292-S310 WeakPolarHBondContact O-CB 3.46Å | ||
| 311 | F | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 123.8 | -174.7 | -167.3 | -129.1 | 0 | 0 | 0 | 112.1 | L243 Y257 Y259 L270 C276 M279 A280 A290 I297 V313 | L243-F311 HydrophobicContact CD1-CD1 4.15Å; L243-F311 HydrophobicContact CD1-CE1 3.87Å; L243-F311 HydrophobicContact CD2-CE1 4.47Å; Y257-F311 HydrophobicContact CD1-CD1 4.27Å; Y257-F311 HydrophobicContact CE1-CD1 4.44Å; Y259-F311 PolarHBondContact N-O 3.04Å; Y259-F311 PolarHBondContact O-N 3.2Å; L270-F311 HydrophobicContact CD1-CB 3.83Å; L270-F311 HydrophobicContact CD1-CD1 3.79Å; L270-F311 HydrophobicContact CD1-CG 4.21Å; C276-F311 HydrophobicContact CB-CD2 3.74Å; C276-F311 HydrophobicContact CB-CE2 3.76Å; C276-F311 HydrophobicContact CB-CG 4.35Å; C276-F311 HydrophobicContact CB-CZ 4.36Å; M279-F311 HydrophobicContact CB-CE1 4.12Å; M279-F311 HydrophobicContact CB-CZ 3.87Å; A280-F311 HydrophobicContact CB-CE2 4.43Å; A290-F311 HydrophobicContact CB-CE2 4.07Å; I297-F311 HydrophobicContact CD1-CD2 3.75Å; I297-F311 HydrophobicContact CD1-CE2 4.22Å; I297-F311 HydrophobicContact CG1-CD2 3.83Å; I297-F311 HydrophobicContact CG1-CE2 3.85Å; I297-F311 HydrophobicContact CG2-CE2 4.26Å; F311-V313 HydrophobicContact CD1-CB 4.44Å; F311-V313 HydrophobicContact CD1-CG1 3.91Å; F311-V313 HydrophobicContact CE1-CB 3.8Å; F311-V313 HydrophobicContact CE1-CG1 3.29Å; F311-V313 HydrophobicContact CE2-CB 4.17Å; F311-V313 HydrophobicContact CZ-CB 3.62Å; F311-V313 HydrophobicContact CZ-CG1 3.66Å; F311-V313 HydrophobicContact CZ-CG2 4.06Å |
| 312 | F | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 116.5 | 175.2 | -53 | -78.2 | 0 | 0 | 0 | 107.8 | V217 Y257 L258 P260 A290 S291 D292 V322 I326 | V217-F312 HydrophobicContact CG2-CE1 4.15Å; V217-F312 HydrophobicContact CG2-CZ 3.98Å; Y257-F312 WeakPolarHBondContact O-CA 3.49Å; L258-F312 HydrophobicContact CB-CD1 4.08Å; L258-F312 HydrophobicContact CB-CE1 4.29Å; L258-F312 HydrophobicContact CD2-CD1 3.53Å; L258-F312 HydrophobicContact CD2-CE1 4.09Å; L258-F312 HydrophobicContact CG-CD1 4.42Å; P260-F312 HydrophobicContact CB-CE1 4.01Å; P260-F312 HydrophobicContact CB-CZ 3.8Å; A290-F312 CarbonylContact C-O 3.6Å; A290-F312 VanDerWaalsContact CA-O 3.27Å; A290-F312 WeakPolarHBondContact CA-O 3.41Å; S291-F312 PolarHBondContact N-O 3.1Å; S291-F312 PolarHBondContact O-N 2.71Å; D292-F312 WeakPolarHBondContact O-CE2 3.28Å; F312-V322 HydrophobicContact CB-CG1 4.11Å; F312-V322 HydrophobicContact CD1-CG1 4.16Å; F312-V322 HydrophobicContact CD1-CG2 4.14Å; F312-V322 HydrophobicContact CE1-CG2 4.06Å; F312-V322 HydrophobicContact CG-CG1 4.12Å; F312-I326 HydrophobicContact CD2-CD1 4.49Å; F312-I326 HydrophobicContact CE2-CD1 3.72Å; F312-I326 HydrophobicContact CZ-CD1 3.73Å |
| 313 | V | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 138.2 | -173.7 | 65.4 | 0 | 0 | 0 | 0 | 112 | F247 I256 Y257 A283 K289 A290 F311 | F247-V313 HydrophobicContact CD2-CG1 4Å; F247-V313 HydrophobicContact CD2-CG2 4.05Å; F247-V313 HydrophobicContact CE2-CG1 4.5Å; F247-V313 HydrophobicContact CE2-CG2 3.7Å; I256-V313 WeakPolarHBondContact CA-O 3.38Å; Y257-V313 HydrophobicContact CD1-CG1 4.26Å; Y257-V313 PolarHBondContact N-O 3.02Å; Y257-V313 PolarHBondContact O-N 3.09Å; A283-V313 HydrophobicContact CB-CG2 3.45Å; A283-V313 VanDerWaalsContact CB-CG2 3.45Å; K289-V313 WeakPolarHBondContact O-CA 3.4Å; A290-V313 HydrophobicContact CB-CB 4.17Å; A290-V313 HydrophobicContact CB-CG2 3.88Å; F311-V313 HydrophobicContact CD1-CB 4.44Å; F311-V313 HydrophobicContact CD1-CG1 3.91Å; F311-V313 HydrophobicContact CE1-CB 3.8Å; F311-V313 HydrophobicContact CE1-CG1 3.29Å; F311-V313 HydrophobicContact CE2-CB 4.17Å; F311-V313 HydrophobicContact CZ-CB 3.62Å; F311-V313 HydrophobicContact CZ-CG1 3.66Å; F311-V313 HydrophobicContact CZ-CG2 4.06Å |
| 314 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.4 | -142.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G255 G288 K289 D316 | G255-G314 WeakPolarHBondContact O-CA 3.46Å; G288-G314 CarbonylContact C-O 3.47Å; G288-G314 WeakPolarHBondContact CA-O 3.37Å; K289-G314 PolarHBondContact N-O 3Å; K289-G314 PolarHBondContact O-N 3.35Å; G314-D316 PolarHBondContact O-N 3.22Å |
| 315 | N | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -53 | 131.9 | 170.2 | -84.4 | 98.2 | 0 | 0 | 0 | 111.5 | P197 G254 G255 H317 M318 V319 | P197-N315 PolarHBondContact O-ND2 3.01Å; G254-N315 WeakPolarHBondContact CA-OD1 3.38Å; G255-N315 PolarHBondContact N-OD1 3.28Å; G255-N315 PolarHBondContact O-N 3.25Å; G255-N315 PolarHBondContact O-OD1 3.47Å; N315-H317 PolarHBondContact O-N 2.94Å; N315-M318 HydrophobicContact CB-CB 4.22Å; N315-M318 HydrophobicContact CB-CG 3.87Å; N315-M318 HydrophobicContact CB-SD 4.03Å; N315-M318 PolarHBondContact O-N 3.17Å; N315-M318 VanDerWaalsContact O-N 3.17Å; N315-V319 WeakPolarHBondContact O-CG2 3.46Å; N315-V319 PolarHBondContact O-N 2.88Å |
| 316 | D | 97.9 | Very high | 98 | Very high | 67 Ų | 67 | 27.9 Ų | 27.9 | 36% | 0.358 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -49.7 | -57 | -178.7 | 57.1 | -9.7 | 0 | 0 | 0 | 113.9 | K289 G314 M318 V319 E320 | K289-D316 HydrophobicContact CB-CB 4.26Å; G314-D316 PolarHBondContact O-N 3.22Å; D316-M318 VanDerWaalsContact C-N 3.27Å; D316-M318 PolarHBondContact O-N 3.29Å; D316-V319 PolarHBondContact O-N 3.03Å; D316-V319 VanDerWaalsContact O-N 3.08Å; D316-E320 WeakPolarHBondContact O-CG 3.49Å; D316-E320 PolarHBondContact O-N 3.45Å |
| 317 | H | 96.7 | Very high | 98 | Very high | 51 Ų | 51 | 34.3 Ų | 34.3 | 24% | 0.236 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.2 | -33.5 | -179.4 | 59.5 | -81 | 0 | 0 | 0 | 112.9 | E198 G200 N315 D321 | E198-H317 PolarHBondContact O-CE1 3.38Å; E198-H317 VanDerWaalsContact O-CE1 3.31Å; G200-H317 PolarHBondContact N-NE2 2.97Å; N315-H317 PolarHBondContact O-N 2.94Å; H317-D321 WeakPolarHBondContact O-CB 3.02Å; H317-D321 VanDerWaalsContact O-CG 3.23Å; H317-D321 PolarHBondContact O-N 3.39Å |
| 318 | M | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.9 | -35.9 | 177 | -60.1 | -172.4 | 80.3 | 0 | 0 | 111.4 | T202 Y235 I256 N315 D316 V322 | T202-M318 WeakPolarHBondContact O-CE 3.27Å; Y235-M318 HydrophobicContact CD2-CE 3.55Å; Y235-M318 HydrophobicContact CE2-CE 3.54Å; Y235-M318 HydrophobicContact CG-CE 4.29Å; I256-M318 HydrophobicContact CB-CB 3.97Å; I256-M318 HydrophobicContact CB-CE 4.33Å; I256-M318 HydrophobicContact CB-SD 4.27Å; I256-M318 HydrophobicContact CD1-CB 4.06Å; I256-M318 WeakPolarHBondContact CD1-O 3.39Å; I256-M318 HydrophobicContact CG2-CB 4.21Å; I256-M318 HydrophobicContact CG2-CE 3.63Å; I256-M318 HydrophobicContact CG2-SD 4.22Å; N315-M318 HydrophobicContact CB-CB 4.22Å; N315-M318 HydrophobicContact CB-CG 3.87Å; N315-M318 HydrophobicContact CB-SD 4.03Å; N315-M318 PolarHBondContact O-N 3.17Å; N315-M318 VanDerWaalsContact O-N 3.17Å; D316-M318 VanDerWaalsContact C-N 3.27Å; D316-M318 PolarHBondContact O-N 3.29Å; M318-V322 PolarHBondContact O-N 2.87Å; M318-V322 VanDerWaalsContact O-N 3.15Å |
| 319 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.5 | -41.2 | 175 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | I256 K289 N315 D316 D321 V322 E323 | I256-V319 HydrophobicContact CD1-CB 4.34Å; I256-V319 HydrophobicContact CD1-CG2 3.7Å; I256-V319 HydrophobicContact CG1-CG2 4.2Å; K289-V319 HydrophobicContact CB-CB 4.04Å; K289-V319 HydrophobicContact CB-CG1 4.18Å; K289-V319 HydrophobicContact CB-CG2 4.26Å; K289-V319 HydrophobicContact CD-CB 4.1Å; K289-V319 HydrophobicContact CD-CG1 3.81Å; K289-V319 HydrophobicContact CG-CB 4.24Å; K289-V319 HydrophobicContact CG-CG1 3.87Å; N315-V319 WeakPolarHBondContact O-CG2 3.46Å; N315-V319 PolarHBondContact O-N 2.88Å; D316-V319 PolarHBondContact O-N 3.03Å; D316-V319 VanDerWaalsContact O-N 3.08Å; V319-D321 VanDerWaalsContact C-N 3.34Å; V319-D321 PolarHBondContact O-N 3.15Å; V319-V322 WeakPolarHBondContact O-CG1 3.32Å; V319-V322 PolarHBondContact O-N 3.21Å; V319-E323 WeakPolarHBondContact O-CG 3.36Å; V319-E323 PolarHBondContact O-N 2.95Å |
| 320 | E | 98.2 | Very high | 97.9 | Very high | 95 Ų | 95 | 40.7 Ų | 40.7 | 44% | 0.444 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.2 | -39 | 174.4 | -71.2 | 171.6 | 174.9 | 0 | 0 | 112.8 | K289 D316 E323 R324 | K289-E320 HydrophobicContact CD-CG 4.11Å; D316-E320 WeakPolarHBondContact O-CG 3.49Å; D316-E320 PolarHBondContact O-N 3.45Å; E320-E323 PolarHBondContact O-N 3.3Å; E320-R324 WeakPolarHBondContact O-CB 3.25Å; E320-R324 PolarHBondContact O-N 2.89Å |
| 321 | D | 97.7 | Very high | 97.4 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.7 | -52.1 | 173.4 | -78.9 | -24.5 | 0 | 0 | 0 | 110.3 | Y220 H317 V319 E323 R324 F325 | Y220-D321 HydrophobicContact CD2-CB 4.23Å; Y220-D321 HydrophobicContact CE2-CB 3.67Å; H317-D321 WeakPolarHBondContact O-CB 3.02Å; H317-D321 VanDerWaalsContact O-CG 3.23Å; H317-D321 PolarHBondContact O-N 3.39Å; V319-D321 VanDerWaalsContact C-N 3.34Å; V319-D321 PolarHBondContact O-N 3.15Å; D321-E323 VanDerWaalsContact C-N 3.35Å; D321-E323 PolarHBondContact O-N 2.88Å; D321-R324 WeakPolarHBondContact O-CB 3.42Å; D321-R324 PolarHBondContact O-N 2.78Å; D321-R324 VanDerWaalsContact O-N 3.11Å; D321-R324 IonicContact OD1-CZ 2.7Å; D321-R324 IonicContact OD1-NH1 3.94Å; D321-R324 PolarHBondContact OD1-NH1 2.83Å; D321-R324 IonicContact OD1-NH2 3.89Å; D321-R324 PolarHBondContact OD1-NH2 3.34Å; D321-F325 VanDerWaalsContact O-CD2 3.22Å; D321-F325 WeakPolarHBondContact O-CD2 3.29Å; D321-F325 PolarHBondContact O-N 2.98Å |
| 322 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.6 | -38.7 | -179.4 | 66.6 | 0 | 0 | 0 | 0 | 112.3 | Y220 I256 L258 F312 M318 V319 R324 F325 I326 | Y220-V322 HydrophobicContact CD1-CB 3.9Å; Y220-V322 HydrophobicContact CD1-CG2 3.86Å; Y220-V322 HydrophobicContact CD2-CB 4.09Å; Y220-V322 HydrophobicContact CE1-CB 4.09Å; Y220-V322 HydrophobicContact CE1-CG2 4.44Å; Y220-V322 HydrophobicContact CE2-CB 4.27Å; Y220-V322 HydrophobicContact CG-CB 3.9Å; Y220-V322 HydrophobicContact CG-CG2 3.96Å; I256-V322 HydrophobicContact CD1-CG1 3.89Å; L258-V322 HydrophobicContact CD2-CB 4.35Å; L258-V322 HydrophobicContact CD2-CG1 4.31Å; L258-V322 HydrophobicContact CD2-CG2 4.11Å; F312-V322 HydrophobicContact CB-CG1 4.11Å; F312-V322 HydrophobicContact CD1-CG1 4.16Å; F312-V322 HydrophobicContact CD1-CG2 4.14Å; F312-V322 HydrophobicContact CE1-CG2 4.06Å; F312-V322 HydrophobicContact CG-CG1 4.12Å; M318-V322 PolarHBondContact O-N 2.87Å; M318-V322 VanDerWaalsContact O-N 3.15Å; V319-V322 WeakPolarHBondContact O-CG1 3.32Å; V319-V322 PolarHBondContact O-N 3.21Å; V322-R324 VanDerWaalsContact C-N 3.32Å; V322-R324 PolarHBondContact O-N 3.29Å; V322-F325 PolarHBondContact O-N 3.15Å; V322-I326 HydrophobicContact CG2-CD1 4.02Å; V322-I326 HydrophobicContact CG2-CG1 4.4Å; V322-I326 VanDerWaalsContact O-CG1 3.29Å; V322-I326 WeakPolarHBondContact O-CG1 3.37Å; V322-I326 PolarHBondContact O-N 3.41Å |
| 323 | E | 98.3 | Very high | 96 | Very high | 24 Ų | 24 | 55.5 Ų | 55.5 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 172.4 | -73.9 | 174.8 | 149.4 | 0 | 0 | 112 | K289 S291 V319 E320 D321 I326 R327 | K289-E323 IonicContact NZ-OE1 3.45Å; K289-E323 IonicContact NZ-OE2 2.67Å; K289-E323 PolarHBondContact NZ-OE2 3.09Å; S291-E323 WeakPolarHBondContact CB-OE1 3.36Å; S291-E323 PolarHBondContact OG-OE1 3.04Å; V319-E323 WeakPolarHBondContact O-CG 3.36Å; V319-E323 PolarHBondContact O-N 2.95Å; E320-E323 PolarHBondContact O-N 3.3Å; D321-E323 VanDerWaalsContact C-N 3.35Å; D321-E323 PolarHBondContact O-N 2.88Å; E323-I326 PolarHBondContact O-N 3.26Å; E323-R327 WeakPolarHBondContact O-CB 3.44Å; E323-R327 PolarHBondContact O-N 3.48Å |
| 324 | R | 98.4 | Very high | 95.9 | Very high | 78 Ų | 78 | 58.4 Ų | 58.4 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 175 | -179.4 | -178.4 | 68.2 | -118.4 | -4.8 | 110.9 | E320 D321 V322 I326 R327 E328 | E320-R324 WeakPolarHBondContact O-CB 3.25Å; E320-R324 PolarHBondContact O-N 2.89Å; D321-R324 WeakPolarHBondContact O-CB 3.42Å; D321-R324 PolarHBondContact O-N 2.78Å; D321-R324 VanDerWaalsContact O-N 3.11Å; D321-R324 IonicContact OD1-CZ 2.7Å; D321-R324 IonicContact OD1-NH1 3.94Å; D321-R324 PolarHBondContact OD1-NH1 2.83Å; D321-R324 IonicContact OD1-NH2 3.89Å; D321-R324 PolarHBondContact OD1-NH2 3.34Å; V322-R324 VanDerWaalsContact C-N 3.32Å; V322-R324 PolarHBondContact O-N 3.29Å; R324-I326 PolarHBondContact O-N 3.38Å; R324-R327 PolarHBondContact O-N 3.27Å; R324-E328 WeakPolarHBondContact CD-OE1 3.47Å; R324-E328 HydrophobicContact CG-CG 4.27Å; R324-E328 WeakPolarHBondContact CG-OE1 3.48Å; R324-E328 WeakPolarHBondContact O-CB 3.43Å; R324-E328 WeakPolarHBondContact O-CG 3.47Å; R324-E328 PolarHBondContact O-N 3.08Å |
| 325 | F | 98.5 | Very high | 95.7 | Very high | 23 Ų | 23 | 61.6 Ų | 61.6 | 10% | 0.101 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 177.5 | -84.1 | -84.1 | 0 | 0 | 0 | 112.7 | G216 K219 Y220 F223 D321 V322 R327 E328 F329 | G216-F325 VanDerWaalsContact CA-O 3.27Å; G216-F325 WeakPolarHBondContact CA-O 3Å; G216-F325 WeakPolarHBondContact O-CB 3.14Å; K219-F325 HydrophobicContact CB-CD1 3.64Å; K219-F325 HydrophobicContact CB-CE1 4.12Å; Y220-F325 AromaticContact CD2-CD2 3.68Å; Y220-F325 HydrophobicContact CD2-CD2 3.68Å; Y220-F325 HydrophobicContact CD2-CE2 4.07Å; Y220-F325 HydrophobicContact CD2-CG 4.43Å; Y220-F325 HydrophobicContact CG-CD2 4.37Å; F223-F325 HydrophobicContact CB-CE1 4.07Å; F223-F325 HydrophobicContact CB-CE2 3.87Å; F223-F325 HydrophobicContact CB-CZ 3.43Å; F223-F325 VanDerWaalsContact CB-CZ 3.43Å; F223-F325 AromaticContact CD1-CE2 3.91Å; F223-F325 HydrophobicContact CD1-CE2 3.91Å; F223-F325 HydrophobicContact CD1-CZ 4.27Å; F223-F325 AromaticContact CD2-CE2 3.89Å; F223-F325 HydrophobicContact CD2-CE2 3.89Å; F223-F325 AromaticContact CD2-CZ 3.57Å; F223-F325 HydrophobicContact CD2-CZ 3.57Å; F223-F325 HydrophobicContact CE1-CE2 4.42Å; F223-F325 HydrophobicContact CE2-CE2 4.39Å; F223-F325 HydrophobicContact CE2-CZ 4.37Å; F223-F325 AromaticContact CG-CE2 3.63Å; F223-F325 HydrophobicContact CG-CE2 3.63Å; F223-F325 AromaticContact CG-CZ 3.51Å; F223-F325 HydrophobicContact CG-CZ 3.51Å; D321-F325 VanDerWaalsContact O-CD2 3.22Å; D321-F325 WeakPolarHBondContact O-CD2 3.29Å; D321-F325 PolarHBondContact O-N 2.98Å; V322-F325 PolarHBondContact O-N 3.15Å; F325-R327 VanDerWaalsContact C-N 3.3Å; F325-R327 PolarHBondContact O-N 3.47Å; F325-E328 PolarHBondContact O-N 2.92Å; F325-F329 AromaticContact CD1-CD2 3.77Å; F325-F329 HydrophobicContact CD1-CD2 3.77Å; F325-F329 AromaticContact CD1-CE2 3.6Å; F325-F329 HydrophobicContact CD1-CE2 3.6Å; F325-F329 AromaticContact CE1-CE2 3.94Å; F325-F329 HydrophobicContact CE1-CE2 3.94Å; F325-F329 WeakPolarHBondContact O-CB 2.93Å; F325-F329 WeakPolarHBondContact O-CD2 3.32Å; F325-F329 PolarHBondContact O-N 3.39Å |
| 326 | I | 97.7 | Very high | 95.6 | Very high | 35 Ų | 35 | 65.1 Ų | 65.1 | 18% | 0.179 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 174.7 | -72.1 | 167.6 | 0 | 0 | 0 | 111.1 | V217 F312 V322 E323 R324 | V217-I326 HydrophobicContact CG2-CD1 4.12Å; V217-I326 HydrophobicContact CG2-CG1 4.07Å; F312-I326 HydrophobicContact CD2-CD1 4.49Å; F312-I326 HydrophobicContact CE2-CD1 3.72Å; F312-I326 HydrophobicContact CZ-CD1 3.73Å; V322-I326 HydrophobicContact CG2-CD1 4.02Å; V322-I326 HydrophobicContact CG2-CG1 4.4Å; V322-I326 VanDerWaalsContact O-CG1 3.29Å; V322-I326 WeakPolarHBondContact O-CG1 3.37Å; V322-I326 PolarHBondContact O-N 3.41Å; E323-I326 PolarHBondContact O-N 3.26Å; R324-I326 PolarHBondContact O-N 3.38Å |
| 327 | R | 97.3 | Very high | 95.4 | Very high | 171 Ų | 171 | 64.9 Ų | 64.9 | 65% | 0.645 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -73.7 | -38.4 | 179.1 | -179.9 | 174.1 | 51.5 | -103.3 | -2.4 | 113.5 | E323 R324 F325 | E323-R327 WeakPolarHBondContact O-CB 3.44Å; E323-R327 PolarHBondContact O-N 3.48Å; R324-R327 PolarHBondContact O-N 3.27Å; F325-R327 VanDerWaalsContact C-N 3.3Å; F325-R327 PolarHBondContact O-N 3.47Å |
| 328 | E | 97.8 | Very high | 95.3 | Very high | 109 Ų | 109 | 65.9 Ų | 65.9 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -76.5 | -28.3 | -179.2 | -74.1 | 176.4 | -172.4 | 0 | 0 | 113 | R324 F325 P330 | R324-E328 WeakPolarHBondContact CD-OE1 3.47Å; R324-E328 HydrophobicContact CG-CG 4.27Å; R324-E328 WeakPolarHBondContact CG-OE1 3.48Å; R324-E328 WeakPolarHBondContact O-CB 3.43Å; R324-E328 WeakPolarHBondContact O-CG 3.47Å; R324-E328 PolarHBondContact O-N 3.08Å; F325-E328 PolarHBondContact O-N 2.92Å; E328-P330 VanDerWaalsContact C-CD 3.46Å; E328-P330 WeakPolarHBondContact O-CD 3.46Å |
| 329 | F | 97.3 | Very high | 95.1 | Very high | 70 Ų | 70 | 70.6 Ų | 70.6 | 31% | 0.307 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -127.6 | 66.1 | -177.7 | -54 | -80.5 | 0 | 0 | 0 | 110.8 | G216 K219 F325 | G216-F329 WeakPolarHBondContact CA-O 3.24Å; G216-F329 PolarHBondContact N-O 2.75Å; K219-F329 HydrophobicContact CB-CD2 3.93Å; K219-F329 HydrophobicContact CB-CE2 4.28Å; K219-F329 HydrophobicContact CB-CG 4.28Å; K219-F329 HydrophobicContact CG-CB 4.14Å; K219-F329 HydrophobicContact CG-CD1 4.11Å; K219-F329 HydrophobicContact CG-CD2 3.94Å; K219-F329 HydrophobicContact CG-CE2 4.4Å; K219-F329 HydrophobicContact CG-CG 3.79Å; F325-F329 AromaticContact CD1-CD2 3.77Å; F325-F329 HydrophobicContact CD1-CD2 3.77Å; F325-F329 AromaticContact CD1-CE2 3.6Å; F325-F329 HydrophobicContact CD1-CE2 3.6Å; F325-F329 AromaticContact CE1-CE2 3.94Å; F325-F329 HydrophobicContact CE1-CE2 3.94Å; F325-F329 WeakPolarHBondContact O-CB 2.93Å; F325-F329 WeakPolarHBondContact O-CD2 3.32Å; F325-F329 PolarHBondContact O-N 3.39Å |
| 330 | P | 92.8 | Very high | 94.9 | Very high | 86 Ų | 86 | 76 Ų | 76 | 56% | 0.558 | 40% | 0.404 | S | S | * | . | trans | -60.6 | 158 | 175.8 | 28.3 | -35 | 0 | 0 | 0 | 111 | E328 | E328-P330 VanDerWaalsContact C-CD 3.46Å; E328-P330 WeakPolarHBondContact O-CD 3.46Å | ||
| 331 | D | 87.6 | Confident | 94.6 | Very high | 96 Ų | 96 | 74.4 Ų | 74.4 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | trans | -66.6 | 145.6 | 165.8 | -69.1 | -39.5 | 0 | 0 | 0 | 109.6 | P214 N215 | P214-D331 WeakPolarHBondContact CA-OD1 3.2Å; P214-D331 WeakPolarHBondContact CA-OD2 3.44Å; P214-D331 VanDerWaalsContact CB-OD2 3.29Å; P214-D331 WeakPolarHBondContact CB-OD2 3.36Å; N215-D331 WeakPolarHBondContact CB-OD1 3.47Å; N215-D331 PolarHBondContact N-OD1 2.82Å | ||
| 332 | A | 73.6 | Confident | 94.3 | Very high | 178 Ų | 178 | 79.1 Ų | 79.1 | 100% | 1.471 | 43% | 0.426 | S | S | * | . | trans | -73.6 | 0 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 |
Retrieved 332 of 332 residues in 566.2 ms
(Link to these results)