| 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 | 72.4 | Confident | 93.6 | Very high | 176 Ų | 176 | 54.3 Ų | 54.3 | 87% | 0.867 | 29% | 0.289 | S | S | * | . | 0 | 165.4 | 0 | -77.7 | 173.3 | -178.3 | 0 | 0 | 107.5 | Q5 E6 | M1-Q5 HydrophobicContact CB-CB 4.1Å; M1-E6 HydrophobicContact CB-CG 3.71Å; M1-E6 PolarHBondContact N-OE1 3.32Å | |||
| 2 | G | 91.6 | Very high | 93.9 | Very high | 37 Ų | 37 | 60 Ų | 60 | 38% | 0.381 | 31% | 0.309 | S | S | . | . | trans | -69.6 | 154.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | W4 Q5 E6 | G2-W4 VanDerWaalsContact C-N 3.28Å; G2-W4 PolarHBondContact O-N 2.95Å; G2-Q5 WeakPolarHBondContact O-CB 3.47Å; G2-Q5 PolarHBondContact O-N 2.88Å; G2-E6 PolarHBondContact O-N 3.47Å | ||
| 3 | W | 94.9 | Very high | 94.1 | Very high | 43 Ų | 43 | 66 Ų | 66 | 16% | 0.163 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -54.1 | -43.3 | -178.5 | -176.4 | 90.7 | 0 | 0 | 0 | 112.7 | Q5 E6 A7 V31 L34 F35 K38 | W3-Q5 VanDerWaalsContact C-N 3.33Å; W3-Q5 PolarHBondContact O-N 3.22Å; W3-E6 PolarHBondContact O-N 3.21Å; W3-A7 HydrophobicContact CE3-CB 4.28Å; W3-A7 HydrophobicContact CH2-CB 3.92Å; W3-A7 HydrophobicContact CZ2-CB 4.39Å; W3-A7 HydrophobicContact CZ3-CB 3.87Å; W3-A7 PolarHBondContact O-N 2.91Å; W3-V31 HydrophobicContact CH2-CG1 4.05Å; W3-V31 HydrophobicContact CZ3-CG1 4.27Å; W3-L34 HydrophobicContact CH2-CB 4.43Å; W3-L34 HydrophobicContact CZ2-CB 3.93Å; W3-F35 HydrophobicContact CD2-CD2 4.28Å; W3-F35 AromaticContact CE3-CD2 3.63Å; W3-F35 HydrophobicContact CE3-CD2 3.63Å; W3-F35 HydrophobicContact CE3-CE2 4.39Å; W3-F35 HydrophobicContact CH2-CB 3.41Å; W3-F35 VanDerWaalsContact CH2-CB 3.41Å; W3-F35 HydrophobicContact CH2-CD2 4.06Å; W3-F35 HydrophobicContact CH2-CG 4.22Å; W3-F35 HydrophobicContact CZ2-CB 4.08Å; W3-F35 HydrophobicContact CZ3-CB 3.68Å; W3-F35 AromaticContact CZ3-CD2 3.51Å; W3-F35 HydrophobicContact CZ3-CD2 3.51Å; W3-F35 HydrophobicContact CZ3-CG 4Å; W3-K38 HydrophobicContact CD2-CD 4.3Å; W3-K38 HydrophobicContact CG-CD 4.23Å |
| 4 | W | 95.2 | Very high | 94.2 | Very high | 89 Ų | 89 | 64.7 Ų | 64.7 | 34% | 0.337 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.4 | -35.7 | 177.2 | -76 | 112.3 | 0 | 0 | 0 | 113.1 | G2 E6 A7 I8 V25 V31 F35 | G2-W4 VanDerWaalsContact C-N 3.28Å; G2-W4 PolarHBondContact O-N 2.95Å; W4-E6 VanDerWaalsContact C-N 3.34Å; W4-A7 PolarHBondContact O-N 3.39Å; W4-I8 WeakPolarHBondContact O-CB 3.34Å; W4-I8 WeakPolarHBondContact O-CD1 3.4Å; W4-I8 WeakPolarHBondContact O-CG1 3.28Å; W4-I8 PolarHBondContact O-N 3.2Å; W4-V25 HydrophobicContact CE3-CG2 3.9Å; W4-V25 HydrophobicContact CH2-CG1 4.42Å; W4-V25 HydrophobicContact CZ3-CB 4.4Å; W4-V25 HydrophobicContact CZ3-CG1 4.2Å; W4-V25 HydrophobicContact CZ3-CG2 3.96Å; W4-V31 HydrophobicContact CE3-CG1 4.31Å; W4-V31 HydrophobicContact CH2-CG1 4.38Å; W4-V31 HydrophobicContact CZ3-CG1 3.6Å; W4-F35 AromaticContact CE2-CD2 3.77Å; W4-F35 AromaticContact CE2-CE2 3.66Å; W4-F35 HydrophobicContact CH2-CB 4.31Å; W4-F35 HydrophobicContact CH2-CD1 4.38Å; W4-F35 HydrophobicContact CH2-CD2 4.18Å; W4-F35 HydrophobicContact CH2-CG 4.04Å; W4-F35 HydrophobicContact CZ2-CB 4.4Å; W4-F35 AromaticContact CZ2-CD1 3.93Å; W4-F35 HydrophobicContact CZ2-CD1 3.93Å; W4-F35 AromaticContact CZ2-CD2 3.47Å; W4-F35 HydrophobicContact CZ2-CD2 3.47Å; W4-F35 VanDerWaalsContact CZ2-CD2 3.47Å; W4-F35 HydrophobicContact CZ2-CE1 4Å; W4-F35 AromaticContact CZ2-CE2 3.55Å; W4-F35 HydrophobicContact CZ2-CE2 3.55Å; W4-F35 AromaticContact CZ2-CG 3.66Å; W4-F35 HydrophobicContact CZ2-CG 3.66Å; W4-F35 AromaticContact CZ2-CZ 3.82Å; W4-F35 HydrophobicContact CZ2-CZ 3.82Å; W4-F35 AromaticContact NE1-CE2 3.49Å |
| 5 | Q | 95.3 | Very high | 94.4 | Very high | 118 Ų | 118 | 61.7 Ų | 61.7 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | 176 | -65.5 | 171.9 | -13.1 | 0 | 0 | 110.5 | M1 G2 W3 A9 | M1-Q5 HydrophobicContact CB-CB 4.1Å; G2-Q5 WeakPolarHBondContact O-CB 3.47Å; G2-Q5 PolarHBondContact O-N 2.88Å; W3-Q5 VanDerWaalsContact C-N 3.33Å; W3-Q5 PolarHBondContact O-N 3.22Å; Q5-A9 VanDerWaalsContact O-CB 3.24Å; Q5-A9 WeakPolarHBondContact O-CB 3.2Å; Q5-A9 PolarHBondContact O-N 2.96Å |
| 6 | E | 96.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 66 Ų | 66 | 15% | 0.145 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 176.6 | -65.6 | -179.7 | -158.5 | 0 | 0 | 111.7 | M1 G2 W3 W4 A9 A10 P75 R95 | M1-E6 HydrophobicContact CB-CG 3.71Å; M1-E6 PolarHBondContact N-OE1 3.32Å; G2-E6 PolarHBondContact O-N 3.47Å; W3-E6 PolarHBondContact O-N 3.21Å; W4-E6 VanDerWaalsContact C-N 3.34Å; E6-A9 PolarHBondContact O-N 3.34Å; E6-A10 WeakPolarHBondContact O-CB 3.33Å; E6-A10 PolarHBondContact O-N 3.45Å; E6-P75 WeakPolarHBondContact OE2-CB 3.37Å; E6-R95 IonicContact OE2-CZ 2.75Å; E6-R95 VanDerWaalsContact OE2-CZ 3.31Å; E6-R95 IonicContact OE2-NH1 2.94Å; E6-R95 PolarHBondContact OE2-NH1 3.24Å; E6-R95 IonicContact OE2-NH2 3.31Å; E6-R95 PolarHBondContact OE2-NH2 3.37Å |
| 7 | A | 96.8 | Very high | 94.4 | Very high | 10 Ų | 10 | 65.6 Ų | 65.6 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | W3 W4 A9 A10 A11 V31 | W3-A7 HydrophobicContact CE3-CB 4.28Å; W3-A7 HydrophobicContact CH2-CB 3.92Å; W3-A7 HydrophobicContact CZ2-CB 4.39Å; W3-A7 HydrophobicContact CZ3-CB 3.87Å; W3-A7 PolarHBondContact O-N 2.91Å; W4-A7 PolarHBondContact O-N 3.39Å; A7-A9 VanDerWaalsContact C-N 3.35Å; A7-A10 PolarHBondContact O-N 2.93Å; A7-A11 WeakPolarHBondContact O-CB 3.46Å; A7-A11 PolarHBondContact O-N 3.37Å; A7-V31 HydrophobicContact CB-CG1 4.19Å |
| 8 | I | 96.7 | Very high | 94.4 | Very high | 38 Ų | 38 | 63.2 Ų | 63.2 | 20% | 0.195 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 176.5 | -68 | 165.1 | 0 | 0 | 0 | 110.9 | W4 A11 K12 V24 V25 | W4-I8 WeakPolarHBondContact O-CB 3.34Å; W4-I8 WeakPolarHBondContact O-CD1 3.4Å; W4-I8 WeakPolarHBondContact O-CG1 3.28Å; W4-I8 PolarHBondContact O-N 3.2Å; I8-A11 PolarHBondContact O-N 3.39Å; I8-K12 HydrophobicContact CG2-CD 4.25Å; I8-K12 WeakPolarHBondContact O-CB 3.49Å; I8-K12 WeakPolarHBondContact O-CG 3.37Å; I8-K12 PolarHBondContact O-N 2.95Å; I8-V24 HydrophobicContact CG1-CB 4.31Å; I8-V24 HydrophobicContact CG1-CG1 4.24Å; I8-V25 HydrophobicContact CD1-CG2 4.07Å; I8-V25 HydrophobicContact CG1-CG2 4.48Å |
| 9 | A | 96.8 | Very high | 94.4 | Very high | 51 Ų | 51 | 71.3 Ų | 71.3 | 42% | 0.421 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q5 E6 A7 K12 K13 | Q5-A9 VanDerWaalsContact O-CB 3.24Å; Q5-A9 WeakPolarHBondContact O-CB 3.2Å; Q5-A9 PolarHBondContact O-N 2.96Å; E6-A9 PolarHBondContact O-N 3.34Å; A7-A9 VanDerWaalsContact C-N 3.35Å; A9-K12 PolarHBondContact O-N 3.41Å; A9-K13 VanDerWaalsContact O-CB 3.28Å; A9-K13 WeakPolarHBondContact O-CB 3.49Å; A9-K13 PolarHBondContact O-N 3.41Å |
| 10 | A | 97.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 71.3 Ų | 71.3 | 3% | 0.033 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E6 A7 K13 N14 F78 | E6-A10 WeakPolarHBondContact O-CB 3.33Å; E6-A10 PolarHBondContact O-N 3.45Å; A7-A10 PolarHBondContact O-N 2.93Å; A10-K13 PolarHBondContact O-N 3.38Å; A10-N14 PolarHBondContact O-N 2.9Å; A10-N14 PolarHBondContact O-ND2 3.15Å; A10-F78 HydrophobicContact CB-CB 4.22Å |
| 11 | A | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.6 | -52.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A7 I8 K13 N14 D15 V18 V24 Y28 F78 | A7-A11 WeakPolarHBondContact O-CB 3.46Å; A7-A11 PolarHBondContact O-N 3.37Å; I8-A11 PolarHBondContact O-N 3.39Å; A11-K13 PolarHBondContact O-N 3.42Å; A11-N14 PolarHBondContact O-N 3.48Å; A11-N14 VanDerWaalsContact O-N 3.17Å; A11-D15 PolarHBondContact O-N 3.42Å; A11-V18 HydrophobicContact CB-CG2 4.17Å; A11-V24 HydrophobicContact CB-CB 4.49Å; A11-V24 HydrophobicContact CB-CG1 3.72Å; A11-V24 HydrophobicContact CB-CG2 3.85Å; A11-Y28 HydrophobicContact CB-CE1 4.46Å; A11-F78 VanDerWaalsContact CA-CE2 3.45Å; A11-F78 HydrophobicContact CB-CD2 4.29Å; A11-F78 HydrophobicContact CB-CE2 3.64Å; A11-F78 HydrophobicContact CB-CZ 4.23Å |
| 12 | K | 96.4 | Very high | 95.7 | Very high | 123 Ų | 123 | 66 Ų | 66 | 54% | 0.535 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.7 | -30.6 | 178 | -74.7 | -178.3 | 173.8 | -170.8 | 0 | 113.8 | I8 A9 V18 | I8-K12 HydrophobicContact CG2-CD 4.25Å; I8-K12 WeakPolarHBondContact O-CB 3.49Å; I8-K12 WeakPolarHBondContact O-CG 3.37Å; I8-K12 PolarHBondContact O-N 2.95Å; A9-K12 PolarHBondContact O-N 3.41Å; K12-V18 HydrophobicContact CG-CB 4.36Å; K12-V18 HydrophobicContact CG-CG1 3.67Å |
| 13 | K | 96.7 | Very high | 95.9 | Very high | 138 Ų | 138 | 67 Ų | 67 | 60% | 0.6 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -72.1 | -38.6 | 178.7 | 176.6 | -177.9 | 172.2 | -171.8 | 0 | 112.1 | A9 A10 A11 | A9-K13 VanDerWaalsContact O-CB 3.28Å; A9-K13 WeakPolarHBondContact O-CB 3.49Å; A9-K13 PolarHBondContact O-N 3.41Å; A10-K13 PolarHBondContact O-N 3.38Å; A11-K13 PolarHBondContact O-N 3.42Å |
| 14 | N | 96.4 | Very high | 95.9 | Very high | 48 Ų | 48 | 65 Ų | 65 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -106.3 | -22.9 | -168 | -66.1 | -63.8 | 0 | 0 | 0 | 113.8 | A10 A11 F78 V98 | A10-N14 PolarHBondContact O-N 2.9Å; A10-N14 PolarHBondContact O-ND2 3.15Å; A11-N14 PolarHBondContact O-N 3.48Å; A11-N14 VanDerWaalsContact O-N 3.17Å; N14-F78 HydrophobicContact CB-CD1 3.41Å; N14-F78 VanDerWaalsContact CB-CD1 3.41Å; N14-F78 HydrophobicContact CB-CE1 3.59Å; N14-F78 HydrophobicContact CB-CG 4.3Å; N14-V98 WeakPolarHBondContact OD1-CG2 3.34Å |
| 15 | D | 96.3 | Very high | 96 | Very high | 19 Ų | 19 | 62.9 Ų | 62.9 | 10% | 0.102 | 34% | 0.335 | C | S | . | . | trans | -118 | 107.7 | -179.6 | -179 | 2.6 | 0 | 0 | 0 | 111.1 | A11 A17 V18 Y28 F78 | A11-D15 PolarHBondContact O-N 3.42Å; D15-A17 PolarHBondContact O-N 3.34Å; D15-A17 WeakPolarHBondContact OD1-CB 3.46Å; D15-A17 PolarHBondContact OD1-N 3.1Å; D15-V18 HydrophobicContact CB-CG2 3.96Å; D15-V18 WeakPolarHBondContact O-CG2 3.36Å; D15-V18 PolarHBondContact O-N 2.95Å; D15-Y28 HydrophobicContact CB-CE1 4.45Å; D15-Y28 VanDerWaalsContact OD2-CE1 3.26Å; D15-Y28 WeakPolarHBondContact OD2-CE1 3.49Å; D15-Y28 VanDerWaalsContact OD2-CZ 3.27Å; D15-Y28 PolarHBondContact OD2-OH 3.15Å; D15-F78 HydrophobicContact CB-CE1 4.29Å; D15-F78 HydrophobicContact CB-CZ 4.07Å | ||
| 16 | P | 94.6 | Very high | 96 | Very high | 131 Ų | 131 | 62.8 Ų | 62.8 | 85% | 0.851 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -11.8 | 178.7 | 29.8 | -35.1 | 0 | 0 | 0 | 113.8 | V18 | P16-V18 VanDerWaalsContact C-N 3.3Š|
| 17 | A | 94.9 | Very high | 96.1 | Very high | 60 Ų | 60 | 65.3 Ų | 65.3 | 50% | 0.496 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -15.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D15 R19 | D15-A17 PolarHBondContact O-N 3.34Å; D15-A17 WeakPolarHBondContact OD1-CB 3.46Å; D15-A17 PolarHBondContact OD1-N 3.1Å; A17-R19 PolarHBondContact O-N 2.65Å |
| 18 | V | 94.9 | Very high | 96.1 | Very high | 22 Ų | 22 | 66 Ų | 66 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | trans | -61.7 | 118.2 | -179.2 | 177.2 | 0 | 0 | 0 | 0 | 111 | A11 K12 D15 P16 V24 Y28 | A11-V18 HydrophobicContact CB-CG2 4.17Å; K12-V18 HydrophobicContact CG-CB 4.36Å; K12-V18 HydrophobicContact CG-CG1 3.67Å; D15-V18 HydrophobicContact CB-CG2 3.96Å; D15-V18 WeakPolarHBondContact O-CG2 3.36Å; D15-V18 PolarHBondContact O-N 2.95Å; P16-V18 VanDerWaalsContact C-N 3.3Å; V18-V24 HydrophobicContact CB-CG2 4.47Å; V18-V24 HydrophobicContact CG1-CG2 3.53Å; V18-V24 HydrophobicContact CG2-CG2 4.04Å; V18-Y28 HydrophobicContact CG2-CE1 4.06Å; V18-Y28 WeakPolarHBondContact CG2-OH 3.32Å | ||
| 19 | R | 94.2 | Very high | 96.2 | Very high | 216 Ų | 216 | 67.1 Ų | 67.1 | 82% | 0.815 | 37% | 0.365 | S | S | * | . | trans | -97.5 | -39.3 | 176 | -56.1 | 177.4 | 179.8 | 178.8 | -0.7 | 112.1 | A17 E23 | A17-R19 PolarHBondContact O-N 2.65Å; R19-E23 VanDerWaalsContact CB-OE2 3.31Å; R19-E23 WeakPolarHBondContact CB-OE2 3.44Å; R19-E23 PolarHBondContact N-OE2 2.91Å | ||
| 20 | T | 95.6 | Very high | 96.2 | Very high | 71 Ų | 71 | 64.8 Ų | 64.8 | 44% | 0.436 | 35% | 0.346 | S | S | . | . | trans | -139.9 | 156.6 | -176 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | L22 E23 V24 | T20-L22 VanDerWaalsContact C-N 3.26Å; T20-L22 PolarHBondContact O-N 3.14Å; T20-E23 PolarHBondContact N-OE2 3.32Å; T20-E23 PolarHBondContact O-N 2.84Å; T20-E23 WeakPolarHBondContact OG1-CB 3.48Å; T20-E23 PolarHBondContact OG1-N 3.39Å; T20-E23 VanDerWaalsContact OG1-N 3.11Å; T20-V24 PolarHBondContact O-N 3.32Å | ||
| 21 | G | 95.2 | Very high | 96.3 | Very high | 21 Ų | 21 | 64.8 Ų | 64.8 | 22% | 0.216 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66 | -29.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | V24 V25 | G21-V24 PolarHBondContact O-N 2.93Å; G21-V25 WeakPolarHBondContact O-CG2 3.38Å; G21-V25 PolarHBondContact O-N 3.32Å; G21-V25 VanDerWaalsContact O-N 3.11Å |
| 22 | L | 96.3 | Very high | 96.4 | Very high | 116 Ų | 116 | 66.9 Ų | 66.9 | 61% | 0.607 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -67.1 | -41 | 177.9 | -178.1 | 62.5 | 0 | 0 | 0 | 111.6 | T20 V24 V25 L26 | T20-L22 VanDerWaalsContact C-N 3.26Å; T20-L22 PolarHBondContact O-N 3.14Å; L22-V24 VanDerWaalsContact C-N 3.32Å; L22-V24 PolarHBondContact O-N 2.93Å; L22-V25 PolarHBondContact O-N 3.11Å; L22-L26 HydrophobicContact CD1-CD1 3.84Å; L22-L26 HydrophobicContact CD1-CG 4.04Å; L22-L26 HydrophobicContact CD2-CD1 4.44Å; L22-L26 HydrophobicContact CG-CD1 3.83Å; L22-L26 HydrophobicContact CG-CG 4.35Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 2.99Å |
| 23 | E | 96.3 | Very high | 96.5 | Very high | 58 Ų | 58 | 61.2 Ų | 61.2 | 27% | 0.271 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.9 | -45.6 | 173 | 176.9 | -179.8 | -158.1 | 0 | 0 | 111.4 | R19 T20 V25 L26 T27 Y28 | R19-E23 VanDerWaalsContact CB-OE2 3.31Å; R19-E23 WeakPolarHBondContact CB-OE2 3.44Å; R19-E23 PolarHBondContact N-OE2 2.91Å; T20-E23 PolarHBondContact N-OE2 3.32Å; T20-E23 PolarHBondContact O-N 2.84Å; T20-E23 WeakPolarHBondContact OG1-CB 3.48Å; T20-E23 PolarHBondContact OG1-N 3.39Å; T20-E23 VanDerWaalsContact OG1-N 3.11Å; E23-V25 VanDerWaalsContact C-N 3.34Å; E23-V25 PolarHBondContact O-N 2.86Å; E23-L26 PolarHBondContact O-N 3.02Å; E23-T27 WeakPolarHBondContact O-CB 3.42Å; E23-T27 PolarHBondContact O-N 3.27Å; E23-T27 PolarHBondContact O-OG1 3.22Å; E23-Y28 HydrophobicContact CG-CE2 4.32Å |
| 24 | V | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.9 | -47.5 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 111.1 | I8 A11 V18 T20 G21 L22 L26 Y28 V31 | I8-V24 HydrophobicContact CG1-CB 4.31Å; I8-V24 HydrophobicContact CG1-CG1 4.24Å; A11-V24 HydrophobicContact CB-CB 4.49Å; A11-V24 HydrophobicContact CB-CG1 3.72Å; A11-V24 HydrophobicContact CB-CG2 3.85Å; V18-V24 HydrophobicContact CB-CG2 4.47Å; V18-V24 HydrophobicContact CG1-CG2 3.53Å; V18-V24 HydrophobicContact CG2-CG2 4.04Å; T20-V24 PolarHBondContact O-N 3.32Å; G21-V24 PolarHBondContact O-N 2.93Å; L22-V24 VanDerWaalsContact C-N 3.32Å; L22-V24 PolarHBondContact O-N 2.93Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 3.35Å; V24-Y28 VanDerWaalsContact CA-CD2 3.5Å; V24-Y28 HydrophobicContact CB-CD2 4.35Å; V24-Y28 HydrophobicContact CG1-CD2 4.48Å; V24-Y28 HydrophobicContact CG1-CG 4.2Å; V24-Y28 HydrophobicContact CG2-CD2 4.47Å; V24-Y28 HydrophobicContact CG2-CE2 4.32Å; V24-Y28 WeakPolarHBondContact O-CB 3.48Å; V24-Y28 PolarHBondContact O-N 3.15Å; V24-V31 HydrophobicContact CG1-CG2 3.78Å |
| 25 | V | 96.2 | Very high | 96.6 | Very high | 46 Ų | 46 | 54.8 Ų | 54.8 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.8 | -37.5 | -179.4 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | W4 I8 G21 L22 E23 H32 | W4-V25 HydrophobicContact CE3-CG2 3.9Å; W4-V25 HydrophobicContact CH2-CG1 4.42Å; W4-V25 HydrophobicContact CZ3-CB 4.4Å; W4-V25 HydrophobicContact CZ3-CG1 4.2Å; W4-V25 HydrophobicContact CZ3-CG2 3.96Å; I8-V25 HydrophobicContact CD1-CG2 4.07Å; I8-V25 HydrophobicContact CG1-CG2 4.48Å; G21-V25 WeakPolarHBondContact O-CG2 3.38Å; G21-V25 PolarHBondContact O-N 3.32Å; G21-V25 VanDerWaalsContact O-N 3.11Å; L22-V25 PolarHBondContact O-N 3.11Å; E23-V25 VanDerWaalsContact C-N 3.34Å; E23-V25 PolarHBondContact O-N 2.86Å; V25-H32 PolarHBondContact O-NE2 2.74Å |
| 26 | L | 96.4 | Very high | 96.8 | Very high | 116 Ų | 116 | 56.1 Ų | 56.1 | 61% | 0.607 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -89.5 | -28.6 | -173.2 | -67.2 | 178.8 | 0 | 0 | 0 | 114.1 | L22 E23 V24 H32 | L22-L26 HydrophobicContact CD1-CD1 3.84Å; L22-L26 HydrophobicContact CD1-CG 4.04Å; L22-L26 HydrophobicContact CD2-CD1 4.44Å; L22-L26 HydrophobicContact CG-CD1 3.83Å; L22-L26 HydrophobicContact CG-CG 4.35Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 WeakPolarHBondContact O-CG 3.44Å; L22-L26 PolarHBondContact O-N 2.99Å; E23-L26 PolarHBondContact O-N 3.02Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 3.35Å; L26-H32 PolarHBondContact O-CE1 2.95Å |
| 27 | T | 96.4 | Very high | 97 | Very high | 83 Ų | 83 | 50.5 Ų | 50.5 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -124 | -7.8 | -163.2 | 68 | 0 | 0 | 0 | 0 | 115.4 | E23 P29 | E23-T27 WeakPolarHBondContact O-CB 3.42Å; E23-T27 PolarHBondContact O-N 3.27Å; E23-T27 PolarHBondContact O-OG1 3.22Å; T27-P29 VanDerWaalsContact O-CD 3.23Å; T27-P29 WeakPolarHBondContact O-CD 3.2Å |
| 28 | Y | 97.8 | Very high | 97.1 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 10% | 0.102 | 27% | 0.265 | C | S | . | . | trans | -94.6 | 106.9 | -174.4 | -79.8 | -123.1 | 0 | 0 | 0 | 111.6 | A11 D15 V18 E23 V24 G30 V31 H32 F78 | A11-Y28 HydrophobicContact CB-CE1 4.46Å; D15-Y28 HydrophobicContact CB-CE1 4.45Å; D15-Y28 VanDerWaalsContact OD2-CE1 3.26Å; D15-Y28 WeakPolarHBondContact OD2-CE1 3.49Å; D15-Y28 VanDerWaalsContact OD2-CZ 3.27Å; D15-Y28 PolarHBondContact OD2-OH 3.15Å; V18-Y28 HydrophobicContact CG2-CE1 4.06Å; V18-Y28 WeakPolarHBondContact CG2-OH 3.32Å; E23-Y28 HydrophobicContact CG-CE2 4.32Å; V24-Y28 VanDerWaalsContact CA-CD2 3.5Å; V24-Y28 HydrophobicContact CB-CD2 4.35Å; V24-Y28 HydrophobicContact CG1-CD2 4.48Å; V24-Y28 HydrophobicContact CG1-CG 4.2Å; V24-Y28 HydrophobicContact CG2-CD2 4.47Å; V24-Y28 HydrophobicContact CG2-CE2 4.32Å; V24-Y28 WeakPolarHBondContact O-CB 3.48Å; V24-Y28 PolarHBondContact O-N 3.15Å; Y28-G30 VanDerWaalsContact C-N 3.27Å; Y28-G30 PolarHBondContact O-N 3.14Å; Y28-V31 PolarHBondContact O-N 3.24Å; Y28-V31 VanDerWaalsContact O-N 3.11Å; Y28-H32 PolarHBondContact O-N 3.41Å; Y28-H32 VanDerWaalsContact O-N 3.09Å; Y28-F78 HydrophobicContact CD1-CE2 4.19Å; Y28-F78 HydrophobicContact CD1-CZ 4.32Å; Y28-F78 HydrophobicContact CE1-CE2 4.46Å; Y28-F78 HydrophobicContact CE1-CZ 4.22Å | ||
| 29 | P | 98 | Very high | 97.3 | Very high | 61 Ų | 61 | 56 Ų | 56 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.9 | -33.4 | -177.3 | -19.6 | 33.9 | 0 | 0 | 0 | 112.2 | T27 V31 H32 A33 T63 I65 | T27-P29 VanDerWaalsContact O-CD 3.23Å; T27-P29 WeakPolarHBondContact O-CD 3.2Å; P29-V31 VanDerWaalsContact C-N 3.33Å; P29-V31 PolarHBondContact O-N 3.17Å; P29-H32 PolarHBondContact O-N 3.25Å; P29-A33 WeakPolarHBondContact O-CB 3.43Å; P29-A33 PolarHBondContact O-N 3.22Å; P29-T63 HydrophobicContact CB-CG2 4.35Å; P29-I65 HydrophobicContact CB-CD1 4.32Å |
| 30 | G | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.2 | -44.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y28 L34 | Y28-G30 VanDerWaalsContact C-N 3.27Å; Y28-G30 PolarHBondContact O-N 3.14Å; G30-L34 WeakPolarHBondContact O-CB 3.46Å; G30-L34 WeakPolarHBondContact O-CD1 3.45Å; G30-L34 WeakPolarHBondContact O-CG 3.33Å; G30-L34 PolarHBondContact O-N 3.06Å |
| 31 | V | 98.2 | Very high | 97.7 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67 | -42.5 | 176.8 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | W3 W4 A7 V24 Y28 P29 L34 F35 | W3-V31 HydrophobicContact CH2-CG1 4.05Å; W3-V31 HydrophobicContact CZ3-CG1 4.27Å; W4-V31 HydrophobicContact CE3-CG1 4.31Å; W4-V31 HydrophobicContact CH2-CG1 4.38Å; W4-V31 HydrophobicContact CZ3-CG1 3.6Å; A7-V31 HydrophobicContact CB-CG1 4.19Å; V24-V31 HydrophobicContact CG1-CG2 3.78Å; Y28-V31 PolarHBondContact O-N 3.24Å; Y28-V31 VanDerWaalsContact O-N 3.11Å; P29-V31 VanDerWaalsContact C-N 3.33Å; P29-V31 PolarHBondContact O-N 3.17Å; V31-L34 PolarHBondContact O-N 3.36Å; V31-F35 WeakPolarHBondContact O-CB 3.08Å; V31-F35 PolarHBondContact O-N 2.82Å |
| 32 | H | 98.4 | Very high | 97.8 | Very high | 44 Ų | 44 | 49 Ų | 49 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.1 | -49.7 | 176 | -60.8 | 166.3 | 0 | 0 | 0 | 111.7 | V25 L26 Y28 P29 L34 F35 F36 W59 T63 | V25-H32 PolarHBondContact O-NE2 2.74Å; L26-H32 PolarHBondContact O-CE1 2.95Å; Y28-H32 PolarHBondContact O-N 3.41Å; Y28-H32 VanDerWaalsContact O-N 3.09Å; P29-H32 PolarHBondContact O-N 3.25Å; H32-L34 VanDerWaalsContact C-N 3.34Å; H32-L34 PolarHBondContact O-N 3.23Å; H32-F35 PolarHBondContact O-N 3.32Å; H32-F36 HydrophobicContact CB-CD2 4.44Å; H32-F36 WeakPolarHBondContact O-CD2 3.31Å; H32-F36 PolarHBondContact O-N 3.26Å; H32-W59 HydrophobicContact CB-CZ3 4.41Å; H32-T63 HydrophobicContact CB-CG2 4.02Å |
| 33 | A | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.3 | -45.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P29 H37 T63 I65 I67 | P29-A33 WeakPolarHBondContact O-CB 3.43Å; P29-A33 PolarHBondContact O-N 3.22Å; A33-H37 WeakPolarHBondContact O-CB 3.48Å; A33-H37 PolarHBondContact O-N 3.49Å; A33-T63 HydrophobicContact CB-CG2 4.3Å; A33-I65 HydrophobicContact CB-CB 3.8Å; A33-I65 HydrophobicContact CB-CD1 3.73Å; A33-I65 HydrophobicContact CB-CG1 4.39Å; A33-I65 HydrophobicContact CB-CG2 3.79Å; A33-I67 HydrophobicContact CB-CD1 4.19Å |
| 34 | L | 98.7 | Very high | 98.1 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.073 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.9 | -40.7 | 177 | -69.4 | 167.8 | 0 | 0 | 0 | 112.6 | W3 G30 V31 H32 I67 I73 V77 I79 | W3-L34 HydrophobicContact CH2-CB 4.43Å; W3-L34 HydrophobicContact CZ2-CB 3.93Å; G30-L34 WeakPolarHBondContact O-CB 3.46Å; G30-L34 WeakPolarHBondContact O-CD1 3.45Å; G30-L34 WeakPolarHBondContact O-CG 3.33Å; G30-L34 PolarHBondContact O-N 3.06Å; V31-L34 PolarHBondContact O-N 3.36Å; H32-L34 VanDerWaalsContact C-N 3.34Å; H32-L34 PolarHBondContact O-N 3.23Å; L34-I67 HydrophobicContact CD2-CD1 4.3Å; L34-I73 HydrophobicContact CD2-CD1 4.31Å; L34-I73 HydrophobicContact CD2-CG2 3.75Å; L34-V77 HydrophobicContact CD1-CG1 4.4Å; L34-V77 WeakPolarHBondContact CD1-O 3.37Å; L34-V77 HydrophobicContact CD2-CB 4.4Å; L34-V77 HydrophobicContact CD2-CG1 4.09Å; L34-I79 HydrophobicContact CD1-CD1 4.34Å; L34-I79 HydrophobicContact CD1-CG1 4.16Å; L34-I79 HydrophobicContact CD2-CD1 3.9Å; L34-I79 HydrophobicContact CD2-CG1 4.38Å; L34-I79 HydrophobicContact CG-CD1 3.93Å; L34-I79 HydrophobicContact CG-CG1 4.3Å |
| 35 | F | 98.3 | Very high | 98.2 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 16% | 0.162 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -52.3 | 177.6 | 179.7 | -109.4 | 0 | 0 | 0 | 110.9 | W3 W4 V31 H32 H37 K38 F39 | W3-F35 HydrophobicContact CD2-CD2 4.28Å; W3-F35 AromaticContact CE3-CD2 3.63Å; W3-F35 HydrophobicContact CE3-CD2 3.63Å; W3-F35 HydrophobicContact CE3-CE2 4.39Å; W3-F35 HydrophobicContact CH2-CB 3.41Å; W3-F35 VanDerWaalsContact CH2-CB 3.41Å; W3-F35 HydrophobicContact CH2-CD2 4.06Å; W3-F35 HydrophobicContact CH2-CG 4.22Å; W3-F35 HydrophobicContact CZ2-CB 4.08Å; W3-F35 HydrophobicContact CZ3-CB 3.68Å; W3-F35 AromaticContact CZ3-CD2 3.51Å; W3-F35 HydrophobicContact CZ3-CD2 3.51Å; W3-F35 HydrophobicContact CZ3-CG 4Å; W4-F35 AromaticContact CE2-CD2 3.77Å; W4-F35 AromaticContact CE2-CE2 3.66Å; W4-F35 HydrophobicContact CH2-CB 4.31Å; W4-F35 HydrophobicContact CH2-CD1 4.38Å; W4-F35 HydrophobicContact CH2-CD2 4.18Å; W4-F35 HydrophobicContact CH2-CG 4.04Å; W4-F35 HydrophobicContact CZ2-CB 4.4Å; W4-F35 AromaticContact CZ2-CD1 3.93Å; W4-F35 HydrophobicContact CZ2-CD1 3.93Å; W4-F35 AromaticContact CZ2-CD2 3.47Å; W4-F35 HydrophobicContact CZ2-CD2 3.47Å; W4-F35 VanDerWaalsContact CZ2-CD2 3.47Å; W4-F35 HydrophobicContact CZ2-CE1 4Å; W4-F35 AromaticContact CZ2-CE2 3.55Å; W4-F35 HydrophobicContact CZ2-CE2 3.55Å; W4-F35 AromaticContact CZ2-CG 3.66Å; W4-F35 HydrophobicContact CZ2-CG 3.66Å; W4-F35 AromaticContact CZ2-CZ 3.82Å; W4-F35 HydrophobicContact CZ2-CZ 3.82Å; W4-F35 AromaticContact NE1-CE2 3.49Å; V31-F35 WeakPolarHBondContact O-CB 3.08Å; V31-F35 PolarHBondContact O-N 2.82Å; H32-F35 PolarHBondContact O-N 3.32Å; F35-H37 VanDerWaalsContact C-N 3.35Å; F35-H37 PolarHBondContact O-N 3.48Å; F35-K38 VanDerWaalsContact O-CB 3.27Å; F35-K38 WeakPolarHBondContact O-CB 3.27Å; F35-K38 WeakPolarHBondContact O-CG 3.29Å; F35-K38 PolarHBondContact O-N 3Å; F35-K38 VanDerWaalsContact O-N 3.15Å; F35-F39 HydrophobicContact CD1-CE2 4.08Å; F35-F39 AromaticContact CE1-CE2 3.54Å; F35-F39 HydrophobicContact CE1-CE2 3.54Å; F35-F39 HydrophobicContact CE1-CZ 4.13Å; F35-F39 HydrophobicContact CE2-CE2 4.28Å; F35-F39 AromaticContact CZ-CE2 3.65Å; F35-F39 HydrophobicContact CZ-CE2 3.65Å; F35-F39 AromaticContact CZ-CZ 4Å; F35-F39 HydrophobicContact CZ-CZ 4Å |
| 36 | F | 98.6 | Very high | 98.3 | Very high | 48 Ų | 48 | 55.8 Ų | 55.8 | 21% | 0.211 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -75.6 | -23.7 | -175.5 | -73.2 | -71 | 0 | 0 | 0 | 113.4 | H32 K38 F39 S40 H55 W59 | H32-F36 HydrophobicContact CB-CD2 4.44Å; H32-F36 WeakPolarHBondContact O-CD2 3.31Å; H32-F36 PolarHBondContact O-N 3.26Å; F36-K38 PolarHBondContact O-N 3.33Å; F36-F39 HydrophobicContact CD1-CD2 4.09Å; F36-F39 HydrophobicContact CD1-CE2 4.31Å; F36-F39 WeakPolarHBondContact O-CB 3.4Å; F36-F39 PolarHBondContact O-N 3.05Å; F36-S40 PolarHBondContact O-N 3.21Å; F36-S40 VanDerWaalsContact O-N 3.15Å; F36-S40 PolarHBondContact O-OG 3.09Å; F36-H55 PolarHBondContact O-CE1 3.36Å; F36-W59 HydrophobicContact CB-CB 4.47Å; F36-W59 VanDerWaalsContact CB-CD1 3.5Å; F36-W59 HydrophobicContact CB-CD2 3.52Å; F36-W59 HydrophobicContact CB-CE3 4.23Å; F36-W59 HydrophobicContact CB-CG 3.56Å; F36-W59 HydrophobicContact CB-CZ2 4.26Å; F36-W59 HydrophobicContact CD1-CD2 4.23Å; F36-W59 AromaticContact CD1-CE2 3.38Å; F36-W59 HydrophobicContact CD1-CH2 4.18Å; F36-W59 AromaticContact CD1-CZ2 3.36Å; F36-W59 HydrophobicContact CD1-CZ2 3.36Å; F36-W59 AromaticContact CD1-NE1 3.45Å; F36-W59 AromaticContact CD2-CD2 3.5Å; F36-W59 HydrophobicContact CD2-CD2 3.5Å; F36-W59 AromaticContact CD2-CE2 3.35Å; F36-W59 AromaticContact CD2-CE3 3.46Å; F36-W59 HydrophobicContact CD2-CE3 3.46Å; F36-W59 VanDerWaalsContact CD2-CE3 3.46Å; F36-W59 HydrophobicContact CD2-CG 4.45Å; F36-W59 AromaticContact CD2-CH2 3.24Å; F36-W59 HydrophobicContact CD2-CH2 3.24Å; F36-W59 AromaticContact CD2-CZ2 3.25Å; F36-W59 HydrophobicContact CD2-CZ2 3.25Å; F36-W59 AromaticContact CD2-CZ3 3.33Å; F36-W59 HydrophobicContact CD2-CZ3 3.33Å; F36-W59 AromaticContact CE1-CE2 3.86Å; F36-W59 AromaticContact CE1-CH2 3.94Å; F36-W59 HydrophobicContact CE1-CH2 3.94Å; F36-W59 AromaticContact CE1-CZ2 3.3Å; F36-W59 HydrophobicContact CE1-CZ2 3.3Å; F36-W59 HydrophobicContact CE2-CD2 4.29Å; F36-W59 AromaticContact CE2-CE2 3.87Å; F36-W59 HydrophobicContact CE2-CE3 4.05Å; F36-W59 AromaticContact CE2-CH2 2.95Å; F36-W59 HydrophobicContact CE2-CH2 2.95Å; F36-W59 AromaticContact CE2-CZ2 3.22Å; F36-W59 HydrophobicContact CE2-CZ2 3.22Å; F36-W59 AromaticContact CE2-CZ3 3.4Å; F36-W59 HydrophobicContact CE2-CZ3 3.4Å; F36-W59 VanDerWaalsContact CE2-CZ3 3.4Å; F36-W59 AromaticContact CG-CD1 3.99Å; F36-W59 AromaticContact CG-CD2 3.49Å; F36-W59 HydrophobicContact CG-CD2 3.49Å; F36-W59 VanDerWaalsContact CG-CD2 3.49Å; F36-W59 AromaticContact CG-CE2 3.1Å; F36-W59 AromaticContact CG-CE3 3.98Å; F36-W59 HydrophobicContact CG-CE3 3.98Å; F36-W59 HydrophobicContact CG-CG 4.07Å; F36-W59 AromaticContact CG-CH2 3.88Å; F36-W59 HydrophobicContact CG-CH2 3.88Å; F36-W59 AromaticContact CG-CZ2 3.34Å; F36-W59 HydrophobicContact CG-CZ2 3.34Å; F36-W59 HydrophobicContact CG-CZ3 4.15Å; F36-W59 AromaticContact CG-NE1 3.4Å; F36-W59 AromaticContact CZ-CH2 3.34Å; F36-W59 HydrophobicContact CZ-CH2 3.34Å; F36-W59 AromaticContact CZ-CZ2 3.23Å; F36-W59 HydrophobicContact CZ-CZ2 3.23Å; F36-W59 HydrophobicContact CZ-CZ3 4.23Å |
| 37 | H | 98.8 | Very high | 98.3 | Very high | 13 Ų | 13 | 57.3 Ų | 57.3 | 6% | 0.06 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54 | -35.4 | 166.3 | 169.9 | -106.2 | 0 | 0 | 0 | 111.8 | A33 F35 F39 S40 H41 I67 A71 | A33-H37 WeakPolarHBondContact O-CB 3.48Å; A33-H37 PolarHBondContact O-N 3.49Å; F35-H37 VanDerWaalsContact C-N 3.35Å; F35-H37 PolarHBondContact O-N 3.48Å; H37-F39 PolarHBondContact O-N 2.79Å; H37-S40 CarbonylContact O-C 3.59Å; H37-S40 WeakPolarHBondContact O-CB 3.32Å; H37-S40 PolarHBondContact O-N 3.11Å; H37-H41 VanDerWaalsContact O-CB 3.22Å; H37-H41 WeakPolarHBondContact O-CB 3.36Å; H37-H41 PolarHBondContact O-N 2.82Å; H37-I67 HydrophobicContact CB-CD1 4.17Å; H37-I67 HydrophobicContact CB-CG2 4.32Å; H37-I67 WeakPolarHBondContact CD2-CG2 3.41Å; H37-A71 PolarHBondContact CE1-O 3.12Å; H37-A71 PolarHBondContact NE2-O 3.08Å |
| 38 | K | 98.4 | Very high | 98.4 | Very high | 95 Ų | 95 | 60.6 Ų | 60.6 | 41% | 0.413 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.8 | -37 | 177.5 | -59.5 | 172.6 | 70.1 | -166.7 | 0 | 112.6 | W3 F35 F36 F42 | W3-K38 HydrophobicContact CD2-CD 4.3Å; W3-K38 HydrophobicContact CG-CD 4.23Å; F35-K38 VanDerWaalsContact O-CB 3.27Å; F35-K38 WeakPolarHBondContact O-CB 3.27Å; F35-K38 WeakPolarHBondContact O-CG 3.29Å; F35-K38 PolarHBondContact O-N 3Å; F35-K38 VanDerWaalsContact O-N 3.15Å; F36-K38 PolarHBondContact O-N 3.33Å; K38-F42 WeakPolarHBondContact O-CB 3.31Å; K38-F42 PolarHBondContact O-N 2.66Å |
| 39 | F | 98.5 | Very high | 98.5 | Very high | 101 Ų | 101 | 63.9 Ų | 63.9 | 44% | 0.443 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.9 | -45.3 | 176.8 | -64.4 | -97.3 | 0 | 0 | 0 | 110.6 | F35 F36 H37 H41 F42 L43 | F35-F39 HydrophobicContact CD1-CE2 4.08Å; F35-F39 AromaticContact CE1-CE2 3.54Å; F35-F39 HydrophobicContact CE1-CE2 3.54Å; F35-F39 HydrophobicContact CE1-CZ 4.13Å; F35-F39 HydrophobicContact CE2-CE2 4.28Å; F35-F39 AromaticContact CZ-CE2 3.65Å; F35-F39 HydrophobicContact CZ-CE2 3.65Å; F35-F39 AromaticContact CZ-CZ 4Å; F35-F39 HydrophobicContact CZ-CZ 4Å; F36-F39 HydrophobicContact CD1-CD2 4.09Å; F36-F39 HydrophobicContact CD1-CE2 4.31Å; F36-F39 WeakPolarHBondContact O-CB 3.4Å; F36-F39 PolarHBondContact O-N 3.05Å; H37-F39 PolarHBondContact O-N 2.79Å; F39-H41 VanDerWaalsContact C-N 3.28Å; F39-H41 PolarHBondContact O-N 3.28Å; F39-F42 WeakPolarHBondContact O-CB 3.47Å; F39-F42 PolarHBondContact O-N 2.9Å; F39-L43 VanDerWaalsContact O-CG 3.32Å; F39-L43 WeakPolarHBondContact O-CG 3.23Å; F39-L43 PolarHBondContact O-N 3.47Å |
| 40 | S | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.4 | -46.1 | 173.1 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | F36 H37 L43 Y44 A52 H55 | F36-S40 PolarHBondContact O-N 3.21Å; F36-S40 VanDerWaalsContact O-N 3.15Å; F36-S40 PolarHBondContact O-OG 3.09Å; H37-S40 CarbonylContact O-C 3.59Å; H37-S40 WeakPolarHBondContact O-CB 3.32Å; H37-S40 PolarHBondContact O-N 3.11Å; S40-L43 PolarHBondContact O-N 3.29Å; S40-Y44 WeakPolarHBondContact O-CB 3.35Å; S40-Y44 PolarHBondContact O-N 3.5Å; S40-A52 WeakPolarHBondContact O-CB 3.39Å; S40-H55 PolarHBondContact OG-ND1 2.9Å |
| 41 | H | 98.8 | Very high | 98.5 | Very high | 45 Ų | 45 | 71.1 Ų | 71.1 | 21% | 0.208 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 179.3 | -170.9 | 71.4 | 0 | 0 | 0 | 112.1 | H37 F39 Y44 R45 P69 A71 | H37-H41 VanDerWaalsContact O-CB 3.22Å; H37-H41 WeakPolarHBondContact O-CB 3.36Å; H37-H41 PolarHBondContact O-N 2.82Å; F39-H41 VanDerWaalsContact C-N 3.28Å; F39-H41 PolarHBondContact O-N 3.28Å; H41-Y44 WeakPolarHBondContact O-CB 3.41Å; H41-Y44 PolarHBondContact O-N 2.88Å; H41-R45 WeakPolarHBondContact NE2-CD 3.27Å; H41-R45 WeakPolarHBondContact O-CB 3.38Å; H41-R45 WeakPolarHBondContact O-CG 3.26Å; H41-R45 PolarHBondContact O-N 3.21Å; H41-P69 VanDerWaalsContact CA-O 3.31Å; H41-P69 WeakPolarHBondContact CA-O 3.34Å; H41-P69 PolarHBondContact ND1-O 2.98Å; H41-A71 PolarHBondContact ND1-O 2.84Å |
| 42 | F | 98.6 | Very high | 98.5 | Very high | 116 Ų | 116 | 71 Ų | 71 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.6 | -52.5 | 171.4 | 173.8 | -89.5 | 0 | 0 | 0 | 110.8 | K38 F39 Y44 R45 H46 | K38-F42 WeakPolarHBondContact O-CB 3.31Å; K38-F42 PolarHBondContact O-N 2.66Å; F39-F42 WeakPolarHBondContact O-CB 3.47Å; F39-F42 PolarHBondContact O-N 2.9Å; F42-Y44 VanDerWaalsContact C-N 3.27Å; F42-Y44 PolarHBondContact O-N 2.91Å; F42-R45 PolarHBondContact O-N 2.91Å; F42-H46 AromaticContact CD2-CE1 3.43Å; F42-H46 VanDerWaalsContact CD2-CE1 3.43Å; F42-H46 WeakPolarHBondContact CD2-CE1 3.2Å; F42-H46 AromaticContact CD2-ND1 3.78Å; F42-H46 AromaticContact CE1-ND1 3.91Å; F42-H46 AromaticContact CE2-CE1 3.08Å; F42-H46 WeakPolarHBondContact CE2-CE1 3.22Å; F42-H46 AromaticContact CE2-ND1 3.68Å; F42-H46 AromaticContact CE2-NE2 3.75Å; F42-H46 AromaticContact CG-ND1 3.95Å; F42-H46 AromaticContact CZ-CE1 3.45Å; F42-H46 VanDerWaalsContact CZ-CE1 3.45Å; F42-H46 WeakPolarHBondContact CZ-CE1 3.35Å; F42-H46 AromaticContact CZ-ND1 3.73Å; F42-H46 AromaticContact CZ-NE2 3.87Å; F42-H46 PolarHBondContact O-N 3.38Å; F42-H46 VanDerWaalsContact O-N 3.15Å; F42-H46 PolarHBondContact O-ND1 3.27Å |
| 43 | L | 98.7 | Very high | 98.5 | Very high | 30 Ų | 30 | 74.5 Ų | 74.5 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.7 | -41.9 | 177.8 | -64.8 | 168.3 | 0 | 0 | 0 | 111.4 | F39 S40 H46 Q47 W48 L51 A52 H55 | F39-L43 VanDerWaalsContact O-CG 3.32Å; F39-L43 WeakPolarHBondContact O-CG 3.23Å; F39-L43 PolarHBondContact O-N 3.47Å; S40-L43 PolarHBondContact O-N 3.29Å; L43-H46 CarbonylContact O-C 3.53Å; L43-H46 PolarHBondContact O-N 2.91Å; L43-Q47 PolarHBondContact O-N 2.67Å; L43-W48 HydrophobicContact CB-CB 4.4Å; L43-W48 HydrophobicContact CD2-CD2 4.44Å; L43-W48 HydrophobicContact CD2-CE3 3.51Å; L43-W48 HydrophobicContact CD2-CZ3 4.09Å; L43-W48 PolarHBondContact O-N 3.44Å; L43-L51 HydrophobicContact CD1-CB 4.44Å; L43-A52 HydrophobicContact CB-CB 3.74Å; L43-H55 HydrophobicContact CD1-CB 4.23Å |
| 44 | Y | 98.7 | Very high | 98.5 | Very high | 50 Ų | 50 | 79.1 Ų | 79.1 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 178 | -164 | -97.3 | 0 | 0 | 0 | 112.3 | S40 H41 F42 H46 Q47 F49 A52 H68 P69 E89 | S40-Y44 WeakPolarHBondContact O-CB 3.35Å; S40-Y44 PolarHBondContact O-N 3.5Å; H41-Y44 WeakPolarHBondContact O-CB 3.41Å; H41-Y44 PolarHBondContact O-N 2.88Å; F42-Y44 VanDerWaalsContact C-N 3.27Å; F42-Y44 PolarHBondContact O-N 2.91Å; Y44-H46 PolarHBondContact O-N 2.74Å; Y44-Q47 PolarHBondContact O-N 2.76Å; Y44-F49 HydrophobicContact CD1-CE1 4.28Å; Y44-F49 AromaticContact CD2-CD1 3.55Å; Y44-F49 HydrophobicContact CD2-CD1 3.55Å; Y44-F49 HydrophobicContact CD2-CE1 4.02Å; Y44-F49 HydrophobicContact CE1-CE1 4.12Å; Y44-F49 AromaticContact CE2-CD1 3.46Å; Y44-F49 HydrophobicContact CE2-CD1 3.46Å; Y44-F49 VanDerWaalsContact CE2-CD1 3.46Å; Y44-F49 AromaticContact CE2-CE1 3.83Å; Y44-F49 HydrophobicContact CE2-CE1 3.83Å; Y44-F49 HydrophobicContact CG-CD1 4.15Å; Y44-F49 HydrophobicContact CG-CE1 4.23Å; Y44-F49 AromaticContact CZ-CD1 3.99Å; Y44-F49 AromaticContact CZ-CE1 3.88Å; Y44-F49 WeakPolarHBondContact O-CE1 3.4Å; Y44-A52 HydrophobicContact CD2-CB 4.26Å; Y44-H68 AromaticContact CE2-CE1 3.87Å; Y44-P69 HydrophobicContact CD2-CB 3.68Å; Y44-P69 HydrophobicContact CD2-CG 4.45Å; Y44-P69 HydrophobicContact CG-CB 3.92Å; Y44-E89 PolarHBondContact OH-OE1 3.15Å |
| 45 | R | 98.3 | Very high | 98.5 | Very high | 183 Ų | 183 | 80.7 Ų | 80.7 | 69% | 0.691 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.5 | -23.9 | 177.9 | -75.3 | -170.8 | 60.7 | -177.6 | -2.8 | 113.6 | H41 F42 Q47 | H41-R45 WeakPolarHBondContact NE2-CD 3.27Å; H41-R45 WeakPolarHBondContact O-CB 3.38Å; H41-R45 WeakPolarHBondContact O-CG 3.26Å; H41-R45 PolarHBondContact O-N 3.21Å; F42-R45 PolarHBondContact O-N 2.91Å; R45-Q47 VanDerWaalsContact C-N 3.32Å |
| 46 | H | 98.4 | Very high | 98.6 | Very high | 98 Ų | 98 | 79.4 Ų | 79.4 | 45% | 0.454 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 17.5 | 175 | -63.5 | 79.9 | 0 | 0 | 0 | 112.5 | F42 L43 Y44 W48 | F42-H46 AromaticContact CD2-CE1 3.43Å; F42-H46 VanDerWaalsContact CD2-CE1 3.43Å; F42-H46 WeakPolarHBondContact CD2-CE1 3.2Å; F42-H46 AromaticContact CD2-ND1 3.78Å; F42-H46 AromaticContact CE1-ND1 3.91Å; F42-H46 AromaticContact CE2-CE1 3.08Å; F42-H46 WeakPolarHBondContact CE2-CE1 3.22Å; F42-H46 AromaticContact CE2-ND1 3.68Å; F42-H46 AromaticContact CE2-NE2 3.75Å; F42-H46 AromaticContact CG-ND1 3.95Å; F42-H46 AromaticContact CZ-CE1 3.45Å; F42-H46 VanDerWaalsContact CZ-CE1 3.45Å; F42-H46 WeakPolarHBondContact CZ-CE1 3.35Å; F42-H46 AromaticContact CZ-ND1 3.73Å; F42-H46 AromaticContact CZ-NE2 3.87Å; F42-H46 PolarHBondContact O-N 3.38Å; F42-H46 VanDerWaalsContact O-N 3.15Å; F42-H46 PolarHBondContact O-ND1 3.27Å; L43-H46 CarbonylContact O-C 3.53Å; L43-H46 PolarHBondContact O-N 2.91Å; Y44-H46 PolarHBondContact O-N 2.74Å; H46-W48 VanDerWaalsContact O-CD1 3.24Å; H46-W48 PolarHBondContact O-N 3.38Å; H46-W48 VanDerWaalsContact O-N 3.11Å |
| 47 | Q | 98.1 | Very high | 98.6 | Very high | 148 Ų | 148 | 80.2 Ų | 80.2 | 69% | 0.692 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 15 | 176.5 | -51.4 | -176 | -71.9 | 0 | 0 | 114.9 | L43 Y44 R45 F49 | L43-Q47 PolarHBondContact O-N 2.67Å; Y44-Q47 PolarHBondContact O-N 2.76Å; R45-Q47 VanDerWaalsContact C-N 3.32Å; Q47-F49 HydrophobicContact CB-CE2 3.92Å; Q47-F49 HydrophobicContact CB-CZ 3.99Å; Q47-F49 HydrophobicContact CG-CE2 4.35Å; Q47-F49 HydrophobicContact CG-CZ 4.07Å; Q47-F49 WeakPolarHBondContact O-CD2 3.45Å; Q47-F49 PolarHBondContact O-N 2.88Å |
| 48 | W | 98.3 | Very high | 98.6 | Very high | 152 Ų | 152 | 84.9 Ų | 84.9 | 58% | 0.576 | 38% | 0.378 | S | S | * | . | trans | -83.4 | 57.8 | 172.4 | -66.5 | 6.3 | 0 | 0 | 0 | 109.9 | L43 H46 L50 L51 A52 | L43-W48 HydrophobicContact CB-CB 4.4Å; L43-W48 HydrophobicContact CD2-CD2 4.44Å; L43-W48 HydrophobicContact CD2-CE3 3.51Å; L43-W48 HydrophobicContact CD2-CZ3 4.09Å; L43-W48 PolarHBondContact O-N 3.44Å; H46-W48 VanDerWaalsContact O-CD1 3.24Å; H46-W48 PolarHBondContact O-N 3.38Å; H46-W48 VanDerWaalsContact O-N 3.11Å; W48-L50 PolarHBondContact O-N 3.26Å; W48-L51 HydrophobicContact CB-CB 4.3Å; W48-L51 HydrophobicContact CB-CD1 4.3Å; W48-L51 HydrophobicContact CD2-CD1 4.21Å; W48-L51 HydrophobicContact CE3-CD1 3.7Å; W48-L51 HydrophobicContact CG-CD1 4.48Å; W48-L51 HydrophobicContact CZ3-CD1 4.43Å; W48-L51 PolarHBondContact O-N 3.47Å; W48-A52 WeakPolarHBondContact O-CB 3.33Å; W48-A52 PolarHBondContact O-N 3.21Å | ||
| 49 | F | 98.5 | Very high | 98.6 | Very high | 95 Ų | 95 | 82.2 Ų | 82.2 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | -167.6 | -60.5 | -56 | 0 | 0 | 0 | 113.4 | Y44 Q47 A52 R53 | Y44-F49 HydrophobicContact CD1-CE1 4.28Å; Y44-F49 AromaticContact CD2-CD1 3.55Å; Y44-F49 HydrophobicContact CD2-CD1 3.55Å; Y44-F49 HydrophobicContact CD2-CE1 4.02Å; Y44-F49 HydrophobicContact CE1-CE1 4.12Å; Y44-F49 AromaticContact CE2-CD1 3.46Å; Y44-F49 HydrophobicContact CE2-CD1 3.46Å; Y44-F49 VanDerWaalsContact CE2-CD1 3.46Å; Y44-F49 AromaticContact CE2-CE1 3.83Å; Y44-F49 HydrophobicContact CE2-CE1 3.83Å; Y44-F49 HydrophobicContact CG-CD1 4.15Å; Y44-F49 HydrophobicContact CG-CE1 4.23Å; Y44-F49 AromaticContact CZ-CD1 3.99Å; Y44-F49 AromaticContact CZ-CE1 3.88Å; Y44-F49 WeakPolarHBondContact O-CE1 3.4Å; Q47-F49 HydrophobicContact CB-CE2 3.92Å; Q47-F49 HydrophobicContact CB-CZ 3.99Å; Q47-F49 HydrophobicContact CG-CE2 4.35Å; Q47-F49 HydrophobicContact CG-CZ 4.07Å; Q47-F49 WeakPolarHBondContact O-CD2 3.45Å; Q47-F49 PolarHBondContact O-N 2.88Å; F49-A52 PolarHBondContact O-N 3.41Å; F49-R53 WeakPolarHBondContact O-CG 3.25Å; F49-R53 PolarHBondContact O-N 3.11Å |
| 50 | L | 98.6 | Very high | 98.6 | Very high | 127 Ų | 127 | 82.6 Ų | 82.6 | 67% | 0.665 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.8 | -47.3 | 178.2 | 179.4 | 59.5 | 0 | 0 | 0 | 111.3 | W48 A52 R53 I54 | W48-L50 PolarHBondContact O-N 3.26Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-A52 PolarHBondContact O-N 2.94Å; L50-R53 PolarHBondContact O-N 3.42Å; L50-I54 HydrophobicContact CD1-CD1 4.02Å; L50-I54 HydrophobicContact CD1-CG1 4.26Å; L50-I54 HydrophobicContact CG-CD1 3.9Å; L50-I54 WeakPolarHBondContact O-CG1 3.29Å; L50-I54 PolarHBondContact O-N 3.11Å |
| 51 | L | 98.6 | Very high | 98.6 | Very high | 88 Ų | 88 | 90.2 Ų | 90.2 | 46% | 0.461 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 177.6 | -65.7 | 177.3 | 0 | 0 | 0 | 111.5 | L43 W48 R53 I54 H55 | L43-L51 HydrophobicContact CD1-CB 4.44Å; W48-L51 HydrophobicContact CB-CB 4.3Å; W48-L51 HydrophobicContact CB-CD1 4.3Å; W48-L51 HydrophobicContact CD2-CD1 4.21Å; W48-L51 HydrophobicContact CE3-CD1 3.7Å; W48-L51 HydrophobicContact CG-CD1 4.48Å; W48-L51 HydrophobicContact CZ3-CD1 4.43Å; W48-L51 PolarHBondContact O-N 3.47Å; L51-R53 VanDerWaalsContact C-N 3.31Å; L51-R53 PolarHBondContact O-N 3.46Å; L51-I54 PolarHBondContact O-N 3.46Å; L51-H55 VanDerWaalsContact O-CB 3.28Å; L51-H55 WeakPolarHBondContact O-CB 3.45Å; L51-H55 PolarHBondContact O-N 2.89Å |
| 52 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 92.5 Ų | 92.5 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S40 L43 Y44 W48 F49 L50 S56 P69 | S40-A52 WeakPolarHBondContact O-CB 3.39Å; L43-A52 HydrophobicContact CB-CB 3.74Å; Y44-A52 HydrophobicContact CD2-CB 4.26Å; W48-A52 WeakPolarHBondContact O-CB 3.33Å; W48-A52 PolarHBondContact O-N 3.21Å; F49-A52 PolarHBondContact O-N 3.41Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-A52 PolarHBondContact O-N 2.94Å; A52-S56 WeakPolarHBondContact O-CB 3.37Å; A52-S56 PolarHBondContact O-N 2.82Å; A52-S56 PolarHBondContact O-OG 2.91Å; A52-P69 HydrophobicContact CB-CB 3.9Å; A52-P69 HydrophobicContact CB-CG 3.98Å; A52-P69 WeakPolarHBondContact O-CG 3.43Å |
| 53 | R | 98.6 | Very high | 98.6 | Very high | 119 Ų | 119 | 87.4 Ų | 87.4 | 45% | 0.449 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.2 | -42.2 | 177.7 | -71.8 | -170.1 | 78 | 93.4 | 3.8 | 112.9 | F49 L50 L51 H55 S56 Q57 H68 | F49-R53 WeakPolarHBondContact O-CG 3.25Å; F49-R53 PolarHBondContact O-N 3.11Å; L50-R53 PolarHBondContact O-N 3.42Å; L51-R53 VanDerWaalsContact C-N 3.31Å; L51-R53 PolarHBondContact O-N 3.46Å; R53-H55 VanDerWaalsContact C-N 3.31Å; R53-H55 PolarHBondContact O-N 3.44Å; R53-S56 PolarHBondContact O-N 3.36Å; R53-S56 PolarHBondContact O-OG 3.13Å; R53-Q57 WeakPolarHBondContact O-CB 3.28Å; R53-Q57 WeakPolarHBondContact O-CG 3.37Å; R53-Q57 PolarHBondContact O-N 3.21Å; R53-H68 PolarHBondContact NH1-NE2 2.67Å |
| 54 | I | 98.8 | Very high | 98.6 | Very high | 101 Ų | 101 | 87 Ų | 87 | 52% | 0.518 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 175.5 | -69.9 | 167.7 | 0 | 0 | 0 | 109.5 | L50 L51 Q57 F58 | L50-I54 HydrophobicContact CD1-CD1 4.02Å; L50-I54 HydrophobicContact CD1-CG1 4.26Å; L50-I54 HydrophobicContact CG-CD1 3.9Å; L50-I54 WeakPolarHBondContact O-CG1 3.29Å; L50-I54 PolarHBondContact O-N 3.11Å; L51-I54 PolarHBondContact O-N 3.46Å; I54-Q57 PolarHBondContact O-N 2.93Å; I54-F58 WeakPolarHBondContact O-CB 3.37Å; I54-F58 PolarHBondContact O-N 3.24Å |
| 55 | H | 98.7 | Very high | 98.6 | Very high | 47 Ų | 47 | 84.8 Ų | 84.8 | 22% | 0.218 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 179 | -173.3 | -92.8 | 0 | 0 | 0 | 112.1 | F36 S40 L43 L51 R53 Q57 F58 W59 | F36-H55 PolarHBondContact O-CE1 3.36Å; S40-H55 PolarHBondContact OG-ND1 2.9Å; L43-H55 HydrophobicContact CD1-CB 4.23Å; L51-H55 VanDerWaalsContact O-CB 3.28Å; L51-H55 WeakPolarHBondContact O-CB 3.45Å; L51-H55 PolarHBondContact O-N 2.89Å; R53-H55 VanDerWaalsContact C-N 3.31Å; R53-H55 PolarHBondContact O-N 3.44Å; H55-Q57 VanDerWaalsContact C-N 3.35Å; H55-Q57 PolarHBondContact O-N 3.01Å; H55-F58 PolarHBondContact O-N 3.09Å; H55-W59 AromaticContact CD2-NE1 3.93Å; H55-W59 AromaticContact CE1-CD1 3.28Å; H55-W59 AromaticContact CE1-NE1 3.24Å; H55-W59 PolarHBondContact CE1-NE1 3.28Å; H55-W59 AromaticContact ND1-CD1 3.65Å; H55-W59 AromaticContact NE2-CD1 3.59Å; H55-W59 AromaticContact NE2-NE1 3.14Å; H55-W59 PolarHBondContact NE2-NE1 2.92Å; H55-W59 VanDerWaalsContact NE2-NE1 3.14Å; H55-W59 VanDerWaalsContact O-CD1 3.25Å; H55-W59 PolarHBondContact O-N 2.68Å; H55-W59 VanDerWaalsContact O-N 3.14Å |
| 56 | S | 98.7 | Very high | 98.6 | Very high | 10 Ų | 10 | 78.7 Ų | 78.7 | 7% | 0.07 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 177.8 | 69.4 | 0 | 0 | 0 | 0 | 112.9 | A52 R53 W59 R60 P69 | A52-S56 WeakPolarHBondContact O-CB 3.37Å; A52-S56 PolarHBondContact O-N 2.82Å; A52-S56 PolarHBondContact O-OG 2.91Å; R53-S56 PolarHBondContact O-N 3.36Å; R53-S56 PolarHBondContact O-OG 3.13Å; S56-W59 PolarHBondContact O-N 3.02Å; S56-R60 WeakPolarHBondContact O-CB 3.45Å; S56-R60 PolarHBondContact O-N 2.82Å; S56-P69 WeakPolarHBondContact OG-CG 3.42Å |
| 57 | Q | 98.7 | Very high | 98.6 | Very high | 65 Ų | 65 | 74.5 Ų | 74.5 | 30% | 0.304 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.2 | -34 | 176.9 | -70 | -64.6 | -44.8 | 0 | 0 | 112.4 | R53 I54 H55 R60 F61 E66 | R53-Q57 WeakPolarHBondContact O-CB 3.28Å; R53-Q57 WeakPolarHBondContact O-CG 3.37Å; R53-Q57 PolarHBondContact O-N 3.21Å; I54-Q57 PolarHBondContact O-N 2.93Å; H55-Q57 VanDerWaalsContact C-N 3.35Å; H55-Q57 PolarHBondContact O-N 3.01Å; Q57-R60 WeakPolarHBondContact O-CB 3.38Å; Q57-R60 PolarHBondContact O-N 2.93Å; Q57-R60 VanDerWaalsContact OE1-CD 3.31Å; Q57-F61 PolarHBondContact O-N 3.38Å; Q57-E66 PolarHBondContact NE2-OE1 3.24Å |
| 58 | F | 98.8 | Very high | 98.6 | Very high | 110 Ų | 110 | 68.7 Ų | 68.7 | 48% | 0.482 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 170.9 | 176.2 | -99.6 | 0 | 0 | 0 | 111.7 | I54 H55 F61 L62 | I54-F58 WeakPolarHBondContact O-CB 3.37Å; I54-F58 PolarHBondContact O-N 3.24Å; H55-F58 PolarHBondContact O-N 3.09Å; F58-F61 WeakPolarHBondContact O-CB 3.42Å; F58-F61 PolarHBondContact O-N 2.91Å; F58-L62 HydrophobicContact CD1-CD1 4.12Å; F58-L62 HydrophobicContact CE1-CD1 3.41Å; F58-L62 VanDerWaalsContact CE1-CD1 3.41Å; F58-L62 HydrophobicContact CE1-CG 4.31Å; F58-L62 HydrophobicContact CE2-CD1 4.32Å; F58-L62 HydrophobicContact CZ-CD1 3.54Å; F58-L62 HydrophobicContact CZ-CG 4.26Å; F58-L62 PolarHBondContact O-N 3.42Å; F58-L62 VanDerWaalsContact O-N 3.1Å |
| 59 | W | 98.7 | Very high | 98.7 | Very high | 40 Ų | 40 | 61.5 Ų | 61.5 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71 | -32.1 | 177.7 | -76 | 102.7 | 0 | 0 | 0 | 113.4 | H32 F36 H55 S56 F61 L62 T63 | H32-W59 HydrophobicContact CB-CZ3 4.41Å; F36-W59 HydrophobicContact CB-CB 4.47Å; F36-W59 VanDerWaalsContact CB-CD1 3.5Å; F36-W59 HydrophobicContact CB-CD2 3.52Å; F36-W59 HydrophobicContact CB-CE3 4.23Å; F36-W59 HydrophobicContact CB-CG 3.56Å; F36-W59 HydrophobicContact CB-CZ2 4.26Å; F36-W59 HydrophobicContact CD1-CD2 4.23Å; F36-W59 AromaticContact CD1-CE2 3.38Å; F36-W59 HydrophobicContact CD1-CH2 4.18Å; F36-W59 AromaticContact CD1-CZ2 3.36Å; F36-W59 HydrophobicContact CD1-CZ2 3.36Å; F36-W59 AromaticContact CD1-NE1 3.45Å; F36-W59 AromaticContact CD2-CD2 3.5Å; F36-W59 HydrophobicContact CD2-CD2 3.5Å; F36-W59 AromaticContact CD2-CE2 3.35Å; F36-W59 AromaticContact CD2-CE3 3.46Å; F36-W59 HydrophobicContact CD2-CE3 3.46Å; F36-W59 VanDerWaalsContact CD2-CE3 3.46Å; F36-W59 HydrophobicContact CD2-CG 4.45Å; F36-W59 AromaticContact CD2-CH2 3.24Å; F36-W59 HydrophobicContact CD2-CH2 3.24Å; F36-W59 AromaticContact CD2-CZ2 3.25Å; F36-W59 HydrophobicContact CD2-CZ2 3.25Å; F36-W59 AromaticContact CD2-CZ3 3.33Å; F36-W59 HydrophobicContact CD2-CZ3 3.33Å; F36-W59 AromaticContact CE1-CE2 3.86Å; F36-W59 AromaticContact CE1-CH2 3.94Å; F36-W59 HydrophobicContact CE1-CH2 3.94Å; F36-W59 AromaticContact CE1-CZ2 3.3Å; F36-W59 HydrophobicContact CE1-CZ2 3.3Å; F36-W59 HydrophobicContact CE2-CD2 4.29Å; F36-W59 AromaticContact CE2-CE2 3.87Å; F36-W59 HydrophobicContact CE2-CE3 4.05Å; F36-W59 AromaticContact CE2-CH2 2.95Å; F36-W59 HydrophobicContact CE2-CH2 2.95Å; F36-W59 AromaticContact CE2-CZ2 3.22Å; F36-W59 HydrophobicContact CE2-CZ2 3.22Å; F36-W59 AromaticContact CE2-CZ3 3.4Å; F36-W59 HydrophobicContact CE2-CZ3 3.4Å; F36-W59 VanDerWaalsContact CE2-CZ3 3.4Å; F36-W59 AromaticContact CG-CD1 3.99Å; F36-W59 AromaticContact CG-CD2 3.49Å; F36-W59 HydrophobicContact CG-CD2 3.49Å; F36-W59 VanDerWaalsContact CG-CD2 3.49Å; F36-W59 AromaticContact CG-CE2 3.1Å; F36-W59 AromaticContact CG-CE3 3.98Å; F36-W59 HydrophobicContact CG-CE3 3.98Å; F36-W59 HydrophobicContact CG-CG 4.07Å; F36-W59 AromaticContact CG-CH2 3.88Å; F36-W59 HydrophobicContact CG-CH2 3.88Å; F36-W59 AromaticContact CG-CZ2 3.34Å; F36-W59 HydrophobicContact CG-CZ2 3.34Å; F36-W59 HydrophobicContact CG-CZ3 4.15Å; F36-W59 AromaticContact CG-NE1 3.4Å; F36-W59 AromaticContact CZ-CH2 3.34Å; F36-W59 HydrophobicContact CZ-CH2 3.34Å; F36-W59 AromaticContact CZ-CZ2 3.23Å; F36-W59 HydrophobicContact CZ-CZ2 3.23Å; F36-W59 HydrophobicContact CZ-CZ3 4.23Å; H55-W59 AromaticContact CD2-NE1 3.93Å; H55-W59 AromaticContact CE1-CD1 3.28Å; H55-W59 AromaticContact CE1-NE1 3.24Å; H55-W59 PolarHBondContact CE1-NE1 3.28Å; H55-W59 AromaticContact ND1-CD1 3.65Å; H55-W59 AromaticContact NE2-CD1 3.59Å; H55-W59 AromaticContact NE2-NE1 3.14Å; H55-W59 PolarHBondContact NE2-NE1 2.92Å; H55-W59 VanDerWaalsContact NE2-NE1 3.14Å; H55-W59 VanDerWaalsContact O-CD1 3.25Å; H55-W59 PolarHBondContact O-N 2.68Å; H55-W59 VanDerWaalsContact O-N 3.14Å; S56-W59 PolarHBondContact O-N 3.02Å; W59-F61 VanDerWaalsContact C-N 3.32Å; W59-L62 HydrophobicContact CE3-CB 4.37Å; W59-L62 HydrophobicContact CE3-CD1 4.11Å; W59-L62 HydrophobicContact CH2-CD1 4.15Å; W59-L62 HydrophobicContact CZ3-CD1 3.86Å; W59-L62 PolarHBondContact O-N 2.96Å; W59-T63 HydrophobicContact CE3-CG2 4.16Å; W59-T63 WeakPolarHBondContact O-CB 3.06Å; W59-T63 WeakPolarHBondContact O-CG2 3.26Å; W59-T63 PolarHBondContact O-N 3.07Å; W59-T63 PolarHBondContact O-OG1 2.94Å |
| 60 | R | 98.7 | Very high | 98.7 | Very high | 108 Ų | 108 | 57.5 Ų | 57.5 | 41% | 0.408 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.1 | -45 | 167.4 | 174.5 | -168.3 | 171.8 | -91.2 | -9.4 | 111.3 | S56 Q57 L62 T63 G64 I65 E66 | S56-R60 WeakPolarHBondContact O-CB 3.45Å; S56-R60 PolarHBondContact O-N 2.82Å; Q57-R60 WeakPolarHBondContact O-CB 3.38Å; Q57-R60 PolarHBondContact O-N 2.93Å; Q57-R60 VanDerWaalsContact OE1-CD 3.31Å; R60-L62 PolarHBondContact O-N 3.2Å; R60-T63 PolarHBondContact O-N 3.07Å; R60-G64 VanDerWaalsContact O-CA 3.29Å; R60-G64 WeakPolarHBondContact O-CA 3.21Å; R60-G64 PolarHBondContact O-N 3.5Å; R60-I65 VanDerWaalsContact CA-O 3.31Å; R60-I65 WeakPolarHBondContact CA-O 3.26Å; R60-E66 VanDerWaalsContact CD-OE2 3.27Å; R60-E66 WeakPolarHBondContact CD-OE2 3.44Å; R60-E66 HydrophobicContact CG-CB 4Å; R60-E66 HydrophobicContact CG-CG 4.46Å; R60-E66 IonicContact CZ-OE2 3.83Å; R60-E66 IonicContact NE-OE2 2.82Å; R60-E66 PolarHBondContact NE-OE2 2.54Å |
| 61 | F | 98.5 | Very high | 98.7 | Very high | 163 Ų | 163 | 51.4 Ų | 51.4 | 72% | 0.715 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.2 | -42.4 | 177.9 | 172.2 | -102.2 | 0 | 0 | 0 | 112.2 | Q57 F58 W59 | Q57-F61 PolarHBondContact O-N 3.38Å; F58-F61 WeakPolarHBondContact O-CB 3.42Å; F58-F61 PolarHBondContact O-N 2.91Å; W59-F61 VanDerWaalsContact C-N 3.32Å |
| 62 | L | 98.3 | Very high | 98.7 | Very high | 92 Ų | 92 | 52.9 Ų | 52.9 | 48% | 0.482 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -75.4 | -31.2 | -179.6 | -67.9 | -177.4 | 0 | 0 | 0 | 114.4 | F58 W59 R60 | F58-L62 HydrophobicContact CD1-CD1 4.12Å; F58-L62 HydrophobicContact CE1-CD1 3.41Å; F58-L62 VanDerWaalsContact CE1-CD1 3.41Å; F58-L62 HydrophobicContact CE1-CG 4.31Å; F58-L62 HydrophobicContact CE2-CD1 4.32Å; F58-L62 HydrophobicContact CZ-CD1 3.54Å; F58-L62 HydrophobicContact CZ-CG 4.26Å; F58-L62 PolarHBondContact O-N 3.42Å; F58-L62 VanDerWaalsContact O-N 3.1Å; W59-L62 HydrophobicContact CE3-CB 4.37Å; W59-L62 HydrophobicContact CE3-CD1 4.11Å; W59-L62 HydrophobicContact CH2-CD1 4.15Å; W59-L62 HydrophobicContact CZ3-CD1 3.86Å; W59-L62 PolarHBondContact O-N 2.96Å; R60-L62 PolarHBondContact O-N 3.2Å |
| 63 | T | 98.5 | Very high | 98.7 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -110.4 | -16.4 | -170.6 | 63.7 | 0 | 0 | 0 | 0 | 114.3 | P29 H32 A33 W59 R60 I65 | P29-T63 HydrophobicContact CB-CG2 4.35Å; H32-T63 HydrophobicContact CB-CG2 4.02Å; A33-T63 HydrophobicContact CB-CG2 4.3Å; W59-T63 HydrophobicContact CE3-CG2 4.16Å; W59-T63 WeakPolarHBondContact O-CB 3.06Å; W59-T63 WeakPolarHBondContact O-CG2 3.26Å; W59-T63 PolarHBondContact O-N 3.07Å; W59-T63 PolarHBondContact O-OG1 2.94Å; R60-T63 PolarHBondContact O-N 3.07Å; T63-I65 PolarHBondContact O-N 3.47Å; T63-I65 PolarHBondContact OG1-N 2.91Å |
| 64 | G | 98.6 | Very high | 98.7 | Very high | 21 Ų | 21 | 50.4 Ų | 50.4 | 22% | 0.216 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 71.1 | 5.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R60 G84 | R60-G64 VanDerWaalsContact O-CA 3.29Å; R60-G64 WeakPolarHBondContact O-CA 3.21Å; R60-G64 PolarHBondContact O-N 3.5Å; G64-G84 PolarHBondContact O-N 3.23Å |
| 65 | I | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | trans | -109 | 121.5 | -178 | -63.5 | 155.5 | 0 | 0 | 0 | 109.3 | P29 A33 R60 T63 I67 I79 G82 V85 | P29-I65 HydrophobicContact CB-CD1 4.32Å; A33-I65 HydrophobicContact CB-CB 3.8Å; A33-I65 HydrophobicContact CB-CD1 3.73Å; A33-I65 HydrophobicContact CB-CG1 4.39Å; A33-I65 HydrophobicContact CB-CG2 3.79Å; R60-I65 VanDerWaalsContact CA-O 3.31Å; R60-I65 WeakPolarHBondContact CA-O 3.26Å; T63-I65 PolarHBondContact O-N 3.47Å; T63-I65 PolarHBondContact OG1-N 2.91Å; I65-I67 HydrophobicContact CG2-CD1 4.11Å; I65-I67 HydrophobicContact CG2-CG1 3.81Å; I65-I79 HydrophobicContact CD1-CG2 4Å; I65-I79 HydrophobicContact CG1-CG2 4.42Å; I65-I79 HydrophobicContact CG2-CD1 4.05Å; I65-G82 WeakPolarHBondContact CG1-O 3.35Å; I65-V85 HydrophobicContact CG1-CB 4.49Å; I65-V85 HydrophobicContact CG2-CB 4.12Å; I65-V85 HydrophobicContact CG2-CG1 4.15Å | ||
| 66 | E | 98.8 | Very high | 98.4 | Very high | 56 Ų | 56 | 46.1 Ų | 46.1 | 26% | 0.262 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 113.3 | 177.7 | -175.8 | 159.4 | -179.6 | 0 | 0 | 110.9 | Q57 R60 V85 V86 I87 | Q57-E66 PolarHBondContact NE2-OE1 3.24Å; R60-E66 VanDerWaalsContact CD-OE2 3.27Å; R60-E66 WeakPolarHBondContact CD-OE2 3.44Å; R60-E66 HydrophobicContact CG-CB 4Å; R60-E66 HydrophobicContact CG-CG 4.46Å; R60-E66 IonicContact CZ-OE2 3.83Å; R60-E66 IonicContact NE-OE2 2.82Å; R60-E66 PolarHBondContact NE-OE2 2.54Å; E66-V85 PolarHBondContact N-O 2.83Å; E66-V86 HydrophobicContact CB-CG2 4.36Å; E66-V86 CarbonylContact O-C 3.55Å; E66-V86 WeakPolarHBondContact O-CA 3.11Å; E66-I87 PolarHBondContact O-N 3Å |
| 67 | I | 98.9 | Very high | 98.4 | Very high | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.051 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 116.3 | 172.7 | -48.4 | -177.8 | 0 | 0 | 0 | 108.4 | A33 L34 H37 I65 A71 I73 I79 I87 | A33-I67 HydrophobicContact CB-CD1 4.19Å; L34-I67 HydrophobicContact CD2-CD1 4.3Å; H37-I67 HydrophobicContact CB-CD1 4.17Å; H37-I67 HydrophobicContact CB-CG2 4.32Å; H37-I67 WeakPolarHBondContact CD2-CG2 3.41Å; I65-I67 HydrophobicContact CG2-CD1 4.11Å; I65-I67 HydrophobicContact CG2-CG1 3.81Å; I67-A71 HydrophobicContact CG2-CB 4.17Å; I67-I73 HydrophobicContact CD1-CD1 4.08Å; I67-I73 HydrophobicContact CG2-CD1 3.51Å; I67-I79 HydrophobicContact CD1-CD1 4.24Å; I67-I87 HydrophobicContact CD1-CD1 4.43Å; I67-I87 HydrophobicContact CG1-CD1 4.23Å; I67-I87 HydrophobicContact CG2-CB 4.23Å; I67-I87 HydrophobicContact CG2-CG2 4.42Å |
| 68 | H | 98.7 | Very high | 98.4 | Very high | 26 Ų | 26 | 43 Ų | 43 | 12% | 0.12 | 21% | 0.214 | C | C | . | . | trans | -64.1 | 134.2 | 174 | -168.9 | -83.8 | 0 | 0 | 0 | 110.1 | Y44 R53 G70 A71 I87 E89 | Y44-H68 AromaticContact CE2-CE1 3.87Å; R53-H68 PolarHBondContact NH1-NE2 2.67Å; H68-G70 PolarHBondContact ND1-N 3.44Å; H68-G70 PolarHBondContact O-N 3.22Å; H68-A71 VanDerWaalsContact O-CB 3.26Å; H68-A71 WeakPolarHBondContact O-CB 3.21Å; H68-A71 PolarHBondContact O-N 3.05Å; H68-I87 WeakPolarHBondContact CB-O 3.35Å; H68-I87 PolarHBondContact N-O 3.43Å; H68-E89 HydrophobicContact CB-CB 4.36Å; H68-E89 VanDerWaalsContact CE1-CG 3.41Å; H68-E89 WeakPolarHBondContact CE1-CG 3.31Å; H68-E89 WeakPolarHBondContact ND1-CA 3.18Å; H68-E89 VanDerWaalsContact ND1-CB 3.32Å; H68-E89 WeakPolarHBondContact ND1-CB 3.14Å; H68-E89 WeakPolarHBondContact ND1-CG 3.26Å | ||
| 69 | P | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.1 | -177.2 | -24 | 30.7 | 0 | 0 | 0 | 115.1 | H41 Y44 A52 S56 A71 | H41-P69 VanDerWaalsContact CA-O 3.31Å; H41-P69 WeakPolarHBondContact CA-O 3.34Å; H41-P69 PolarHBondContact ND1-O 2.98Å; Y44-P69 HydrophobicContact CD2-CB 3.68Å; Y44-P69 HydrophobicContact CD2-CG 4.45Å; Y44-P69 HydrophobicContact CG-CB 3.92Å; A52-P69 HydrophobicContact CB-CB 3.9Å; A52-P69 HydrophobicContact CB-CG 3.98Å; A52-P69 WeakPolarHBondContact O-CG 3.43Å; S56-P69 WeakPolarHBondContact OG-CG 3.42Å; P69-A71 VanDerWaalsContact C-N 3.31Å |
| 70 | G | 98.6 | Very high | 98.4 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 11% | 0.113 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | H68 E89 | H68-G70 PolarHBondContact ND1-N 3.44Å; H68-G70 PolarHBondContact O-N 3.22Å; G70-E89 CarbonylContact C-O 3.6Å; G70-E89 VanDerWaalsContact O-O 3.06Å |
| 71 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -61.8 | 142.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | H37 H41 I67 H68 P69 I73 I87 E89 | H37-A71 PolarHBondContact CE1-O 3.12Å; H37-A71 PolarHBondContact NE2-O 3.08Å; H41-A71 PolarHBondContact ND1-O 2.84Å; I67-A71 HydrophobicContact CG2-CB 4.17Å; H68-A71 VanDerWaalsContact O-CB 3.26Å; H68-A71 WeakPolarHBondContact O-CB 3.21Å; H68-A71 PolarHBondContact O-N 3.05Å; P69-A71 VanDerWaalsContact C-N 3.31Å; A71-I73 HydrophobicContact CB-CG1 4.37Å; A71-I87 HydrophobicContact CB-CG2 3.79Å; A71-E89 WeakPolarHBondContact CA-O 3.36Å; A71-E89 PolarHBondContact N-O 2.83Å; A71-E89 VanDerWaalsContact N-O 3.09Å | ||
| 72 | K | 98.7 | Very high | 98.2 | Very high | 119 Ų | 119 | 30.3 Ų | 30.3 | 52% | 0.517 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 111.7 | 176 | -60.4 | -178.5 | -165.9 | 158.4 | 0 | 108.6 | A91 E92 V93 | K72-A91 PolarHBondContact N-O 3.09Å; K72-E92 HydrophobicContact CB-CG 4.25Å; K72-E92 HydrophobicContact CD-CG 4.17Å; K72-E92 IonicContact NZ-OE1 2.95Å; K72-E92 PolarHBondContact NZ-OE1 2.75Å; K72-E92 CarbonylContact O-C 2.93Å; K72-E92 WeakPolarHBondContact O-CA 3.42Å; K72-V93 PolarHBondContact O-N 2.9Å |
| 73 | I | 98.7 | Very high | 98.2 | Very high | 35 Ų | 35 | 32 Ų | 32 | 18% | 0.179 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.9 | -176.9 | -57.7 | -176.1 | 0 | 0 | 0 | 109.1 | L34 I67 A71 V77 I87 V93 | L34-I73 HydrophobicContact CD2-CD1 4.31Å; L34-I73 HydrophobicContact CD2-CG2 3.75Å; I67-I73 HydrophobicContact CD1-CD1 4.08Å; I67-I73 HydrophobicContact CG2-CD1 3.51Å; A71-I73 HydrophobicContact CB-CG1 4.37Å; I73-V77 HydrophobicContact CG2-CB 4.01Å; I73-V77 HydrophobicContact CG2-CG1 4.27Å; I73-V77 HydrophobicContact CG2-CG2 3.86Å; I73-I87 HydrophobicContact CD1-CD1 3.93Å; I73-I87 HydrophobicContact CD1-CG2 4.5Å; I73-V93 HydrophobicContact CG1-CB 4.47Å |
| 74 | A | 98.1 | Very high | 98.2 | Very high | 31 Ų | 31 | 33.2 Ų | 33.2 | 26% | 0.256 | 19% | 0.187 | S | C | . | . | trans | -72.4 | 151.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V77 V93 R95 | A74-V77 WeakPolarHBondContact O-CG2 3.42Å; A74-V93 WeakPolarHBondContact CB-O 3.45Å; A74-V93 PolarHBondContact N-O 2.86Å; A74-R95 HydrophobicContact CB-CB 4.33Å | ||
| 75 | P | 95.9 | Very high | 98.2 | Very high | 52 Ų | 52 | 32.3 Ų | 32.3 | 34% | 0.338 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 148 | 166.4 | -22 | 34.1 | 0 | 0 | 0 | 111.7 | E6 V77 R95 | E6-P75 WeakPolarHBondContact OE2-CB 3.37Å; P75-V77 VanDerWaalsContact C-N 3.35Å; P75-R95 WeakPolarHBondContact O-CG 2.86Å; P75-R95 PolarHBondContact O-NH1 3.44Å |
| 76 | G | 96.5 | Very high | 98.2 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 7% | 0.072 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -5.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D96 | G76-D96 PolarHBondContact O-N 3.44Š|
| 77 | V | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | trans | -58.3 | 138 | 163.9 | 172.8 | 0 | 0 | 0 | 0 | 109.2 | L34 I73 A74 P75 V93 E94 V97 | L34-V77 HydrophobicContact CD1-CG1 4.4Å; L34-V77 WeakPolarHBondContact CD1-O 3.37Å; L34-V77 HydrophobicContact CD2-CB 4.4Å; L34-V77 HydrophobicContact CD2-CG1 4.09Å; I73-V77 HydrophobicContact CG2-CB 4.01Å; I73-V77 HydrophobicContact CG2-CG1 4.27Å; I73-V77 HydrophobicContact CG2-CG2 3.86Å; A74-V77 WeakPolarHBondContact O-CG2 3.42Å; P75-V77 VanDerWaalsContact C-N 3.35Å; V77-V93 HydrophobicContact CG1-CG1 4.16Å; V77-V93 HydrophobicContact CG2-CB 4.39Å; V77-V93 HydrophobicContact CG2-CG1 3.68Å; V77-E94 WeakPolarHBondContact CG2-O 3.47Å; V77-V97 WeakPolarHBondContact CA-O 3.26Å; V77-V97 HydrophobicContact CG2-CB 4.36Å | ||
| 78 | F | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 1% | 0.013 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.8 | 177.2 | -173.7 | -118.9 | 0 | 0 | 0 | 110.1 | A10 A11 N14 D15 Y28 D80 V97 V98 L99 | A10-F78 HydrophobicContact CB-CB 4.22Å; A11-F78 VanDerWaalsContact CA-CE2 3.45Å; A11-F78 HydrophobicContact CB-CD2 4.29Å; A11-F78 HydrophobicContact CB-CE2 3.64Å; A11-F78 HydrophobicContact CB-CZ 4.23Å; N14-F78 HydrophobicContact CB-CD1 3.41Å; N14-F78 VanDerWaalsContact CB-CD1 3.41Å; N14-F78 HydrophobicContact CB-CE1 3.59Å; N14-F78 HydrophobicContact CB-CG 4.3Å; D15-F78 HydrophobicContact CB-CE1 4.29Å; D15-F78 HydrophobicContact CB-CZ 4.07Å; Y28-F78 HydrophobicContact CD1-CE2 4.19Å; Y28-F78 HydrophobicContact CD1-CZ 4.32Å; Y28-F78 HydrophobicContact CE1-CE2 4.46Å; Y28-F78 HydrophobicContact CE1-CZ 4.22Å; F78-D80 HydrophobicContact CD1-CB 4.02Å; F78-D80 HydrophobicContact CE1-CB 3.54Å; F78-D80 HydrophobicContact CZ-CB 4.26Å; F78-V97 PolarHBondContact N-O 3.47Å; F78-V98 HydrophobicContact CD1-CG1 4.3Å; F78-V98 WeakPolarHBondContact O-CA 3.29Å; F78-L99 PolarHBondContact O-N 3.43Å |
| 79 | I | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 109.8 | 173.9 | -61 | 176.9 | 0 | 0 | 0 | 107 | L34 I65 I67 G82 V85 L99 | L34-I79 HydrophobicContact CD1-CD1 4.34Å; L34-I79 HydrophobicContact CD1-CG1 4.16Å; L34-I79 HydrophobicContact CD2-CD1 3.9Å; L34-I79 HydrophobicContact CD2-CG1 4.38Å; L34-I79 HydrophobicContact CG-CD1 3.93Å; L34-I79 HydrophobicContact CG-CG1 4.3Å; I65-I79 HydrophobicContact CD1-CG2 4Å; I65-I79 HydrophobicContact CG1-CG2 4.42Å; I65-I79 HydrophobicContact CG2-CD1 4.05Å; I67-I79 HydrophobicContact CD1-CD1 4.24Å; I79-G82 VanDerWaalsContact CG2-CA 3.43Å; I79-V85 HydrophobicContact CG2-CG2 4.09Å; I79-L99 CarbonylContact C-O 3.56Å; I79-L99 WeakPolarHBondContact CA-O 3.42Å; I79-L99 HydrophobicContact CG1-CB 4.37Å; I79-L99 HydrophobicContact CG1-CD1 4.32Å |
| 80 | D | 97.9 | Very high | 98.2 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 132.7 | -177.7 | -164.6 | 10.2 | 0 | 0 | 0 | 111 | F78 G82 L99 F100 H101 | F78-D80 HydrophobicContact CD1-CB 4.02Å; F78-D80 HydrophobicContact CE1-CB 3.54Å; F78-D80 HydrophobicContact CZ-CB 4.26Å; D80-G82 PolarHBondContact O-N 2.89Å; D80-L99 PolarHBondContact N-O 2.93Å; D80-F100 HydrophobicContact CB-CD1 4.23Å; D80-F100 HydrophobicContact CB-CE1 3.96Å; D80-F100 HydrophobicContact CB-CZ 4.11Å; D80-F100 CarbonylContact O-C 3.38Å; D80-F100 WeakPolarHBondContact O-CA 3.4Å; D80-F100 VanDerWaalsContact OD2-CE1 3.28Å; D80-F100 WeakPolarHBondContact OD2-CE1 3.4Å; D80-F100 WeakPolarHBondContact OD2-CZ 3.5Å; D80-H101 PolarHBondContact O-N 2.83Å |
| 81 | H | 96.5 | Very high | 98.2 | Very high | 132 Ų | 132 | 34 Ų | 34 | 61% | 0.611 | 19% | 0.19 | S | C | * | . | S | Bend | trans | 49.6 | 30.6 | -174.2 | -65.9 | -84.4 | 0 | 0 | 0 | 114.3 | M83 H101 | H81-M83 PolarHBondContact O-N 3.39Å; H81-H101 VanDerWaalsContact O-CB 3.23Å; H81-H101 WeakPolarHBondContact O-CB 3.28Å |
| 82 | G | 97.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | trans | -55.4 | 8.3 | -156.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | I65 I79 D80 G84 V85 | I65-G82 WeakPolarHBondContact CG1-O 3.35Å; I79-G82 VanDerWaalsContact CG2-CA 3.43Å; D80-G82 PolarHBondContact O-N 2.89Å; G82-G84 PolarHBondContact O-N 3.11Å; G82-V85 WeakPolarHBondContact O-CB 3.36Å; G82-V85 VanDerWaalsContact O-CG2 3.26Å; G82-V85 WeakPolarHBondContact O-CG2 3.23Å; G82-V85 PolarHBondContact O-N 3.18Å | ||
| 83 | M | 98.6 | Very high | 98.2 | Very high | 128 Ų | 128 | 31.3 Ų | 31.3 | 63% | 0.631 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | 127.9 | 177.6 | -177.5 | 57.8 | 66.1 | 0 | 0 | 112 | H81 V85 H101 G102 | H81-M83 PolarHBondContact O-N 3.39Å; M83-V85 VanDerWaalsContact C-N 3.26Å; M83-V85 PolarHBondContact O-N 2.92Å; M83-H101 CarbonylContact O-C 3.51Å; M83-H101 WeakPolarHBondContact O-CA 3.33Å; M83-H101 VanDerWaalsContact O-CB 3.25Å; M83-H101 WeakPolarHBondContact O-CB 3.34Å; M83-G102 PolarHBondContact O-N 3.22Å |
| 84 | G | 98.5 | Very high | 98.2 | Very high | 36 Ų | 36 | 32.4 Ų | 32.4 | 37% | 0.371 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 9.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | G64 G82 G102 | G64-G84 PolarHBondContact O-N 3.23Å; G82-G84 PolarHBondContact O-N 3.11Å; G84-G102 WeakPolarHBondContact O-CA 3.42Å |
| 85 | V | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | trans | -65.2 | 133 | 168.6 | 168.1 | 0 | 0 | 0 | 0 | 109.7 | I65 E66 I79 G82 M83 I87 F100 V103 | I65-V85 HydrophobicContact CG1-CB 4.49Å; I65-V85 HydrophobicContact CG2-CB 4.12Å; I65-V85 HydrophobicContact CG2-CG1 4.15Å; E66-V85 PolarHBondContact N-O 2.83Å; I79-V85 HydrophobicContact CG2-CG2 4.09Å; G82-V85 WeakPolarHBondContact O-CB 3.36Å; G82-V85 VanDerWaalsContact O-CG2 3.26Å; G82-V85 WeakPolarHBondContact O-CG2 3.23Å; G82-V85 PolarHBondContact O-N 3.18Å; M83-V85 VanDerWaalsContact C-N 3.26Å; M83-V85 PolarHBondContact O-N 2.92Å; V85-I87 HydrophobicContact CG1-CD1 4.26Å; V85-I87 HydrophobicContact CG1-CG1 3.98Å; V85-F100 WeakPolarHBondContact CG2-O 3.14Å; V85-V103 CarbonylContact C-O 3.6Å; V85-V103 VanDerWaalsContact CA-O 3.29Å; V85-V103 WeakPolarHBondContact CA-O 3.33Å; V85-V103 HydrophobicContact CG2-CB 4.39Å | ||
| 86 | V | 98.9 | Very high | 98.3 | Very high | 49 Ų | 49 | 34.9 Ų | 34.9 | 30% | 0.297 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 118.4 | 178.2 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | E66 V103 T104 L105 | E66-V86 HydrophobicContact CB-CG2 4.36Å; E66-V86 CarbonylContact O-C 3.55Å; E66-V86 WeakPolarHBondContact O-CA 3.11Å; V86-V103 PolarHBondContact N-O 3.05Å; V86-T104 HydrophobicContact CB-CG2 4.35Å; V86-T104 CarbonylContact O-C 3.57Å; V86-T104 WeakPolarHBondContact O-CA 3.42Å; V86-L105 PolarHBondContact O-N 2.96Å |
| 87 | I | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 112.9 | 178.7 | -56.8 | 179.8 | 0 | 0 | 0 | 109.3 | E66 I67 H68 A71 I73 V85 A91 L99 L105 | E66-I87 PolarHBondContact O-N 3Å; I67-I87 HydrophobicContact CD1-CD1 4.43Å; I67-I87 HydrophobicContact CG1-CD1 4.23Å; I67-I87 HydrophobicContact CG2-CB 4.23Å; I67-I87 HydrophobicContact CG2-CG2 4.42Å; H68-I87 WeakPolarHBondContact CB-O 3.35Å; H68-I87 PolarHBondContact N-O 3.43Å; A71-I87 HydrophobicContact CB-CG2 3.79Å; I73-I87 HydrophobicContact CD1-CD1 3.93Å; I73-I87 HydrophobicContact CD1-CG2 4.5Å; V85-I87 HydrophobicContact CG1-CD1 4.26Å; V85-I87 HydrophobicContact CG1-CG1 3.98Å; I87-A91 HydrophobicContact CG2-CB 3.61Å; I87-L99 HydrophobicContact CD1-CD1 3.87Å; I87-L105 HydrophobicContact CG1-CD1 4.26Å; I87-L105 HydrophobicContact CG2-CD1 4.32Å |
| 88 | G | 98.4 | Very high | 98.4 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 10% | 0.103 | 18% | 0.18 | C | C | . | . | trans | -75.6 | 168.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T90 A91 L105 | G88-T90 VanDerWaalsContact C-N 3.35Å; G88-T90 PolarHBondContact O-N 2.94Å; G88-A91 VanDerWaalsContact O-CB 3.28Å; G88-A91 WeakPolarHBondContact O-CB 3.37Å; G88-A91 PolarHBondContact O-N 3.32Å; G88-A91 VanDerWaalsContact O-N 3.13Å; G88-L105 PolarHBondContact N-O 2.82Å | ||
| 89 | E | 98.3 | Very high | 98.4 | Very high | 53 Ų | 53 | 34.3 Ų | 34.3 | 25% | 0.248 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -42.4 | -168 | 177.6 | -177.1 | 174.1 | 0 | 0 | 115.1 | Y44 H68 G70 A71 R115 H116 | Y44-E89 PolarHBondContact OH-OE1 3.15Å; H68-E89 HydrophobicContact CB-CB 4.36Å; H68-E89 VanDerWaalsContact CE1-CG 3.41Å; H68-E89 WeakPolarHBondContact CE1-CG 3.31Å; H68-E89 WeakPolarHBondContact ND1-CA 3.18Å; H68-E89 VanDerWaalsContact ND1-CB 3.32Å; H68-E89 WeakPolarHBondContact ND1-CB 3.14Å; H68-E89 WeakPolarHBondContact ND1-CG 3.26Å; G70-E89 CarbonylContact C-O 3.6Å; G70-E89 VanDerWaalsContact O-O 3.06Å; A71-E89 WeakPolarHBondContact CA-O 3.36Å; A71-E89 PolarHBondContact N-O 2.83Å; A71-E89 VanDerWaalsContact N-O 3.09Å; E89-R115 IonicContact OE2-CZ 3.51Å; E89-R115 IonicContact OE2-NH1 3.46Å; E89-R115 PolarHBondContact OE2-NH1 3.37Å; E89-R115 IonicContact OE2-NH2 2.67Å; E89-R115 PolarHBondContact OE2-NH2 2.72Å; E89-H116 PolarHBondContact N-CE1 2.89Å |
| 90 | T | 98.1 | Very high | 98.4 | Very high | 29 Ų | 29 | 36.2 Ų | 36.2 | 18% | 0.178 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 17.5 | -174.5 | 65.6 | 0 | 0 | 0 | 0 | 111.9 | G88 G113 K114 R115 H116 | G88-T90 VanDerWaalsContact C-N 3.35Å; G88-T90 PolarHBondContact O-N 2.94Å; T90-G113 VanDerWaalsContact CG2-O 3.29Å; T90-G113 WeakPolarHBondContact CG2-O 3.31Å; T90-K114 PolarHBondContact O-NZ 2.84Å; T90-R115 PolarHBondContact OG1-N 2.97Å; T90-R115 VanDerWaalsContact OG1-N 3.11Å; T90-H116 PolarHBondContact N-ND1 2.84Å; T90-H116 PolarHBondContact OG1-N 3.46Å; T90-H116 PolarHBondContact OG1-ND1 2.8Å |
| 91 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -68.7 | 140.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | K72 I87 G88 L105 H116 P117 | K72-A91 PolarHBondContact N-O 3.09Å; I87-A91 HydrophobicContact CG2-CB 3.61Å; G88-A91 VanDerWaalsContact O-CB 3.28Å; G88-A91 WeakPolarHBondContact O-CB 3.37Å; G88-A91 PolarHBondContact O-N 3.32Å; G88-A91 VanDerWaalsContact O-N 3.13Å; A91-L105 HydrophobicContact CB-CB 4.27Å; A91-H116 HydrophobicContact CB-CB 4.04Å; A91-P117 WeakPolarHBondContact CA-O 3.13Å | ||
| 92 | E | 98.9 | Very high | 98.6 | Very high | 57 Ų | 57 | 33.1 Ų | 33.1 | 27% | 0.266 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122.7 | 174.6 | -56.3 | -167.3 | 164.8 | 0 | 0 | 107.6 | K72 P117 T118 V119 | K72-E92 HydrophobicContact CB-CG 4.25Å; K72-E92 HydrophobicContact CD-CG 4.17Å; K72-E92 IonicContact NZ-OE1 2.95Å; K72-E92 PolarHBondContact NZ-OE1 2.75Å; K72-E92 CarbonylContact O-C 2.93Å; K72-E92 WeakPolarHBondContact O-CA 3.42Å; E92-P117 PolarHBondContact N-O 2.92Å; E92-P117 VanDerWaalsContact N-O 3.1Å; E92-T118 HydrophobicContact CB-CG2 4.14Å; E92-T118 CarbonylContact O-C 3.59Å; E92-T118 WeakPolarHBondContact O-CA 3.34Å; E92-V119 PolarHBondContact O-N 3.1Å |
| 93 | V | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.024 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 114.1 | -176.2 | -170.7 | 0 | 0 | 0 | 0 | 108.4 | K72 I73 A74 V77 V97 L105 V119 | K72-V93 PolarHBondContact O-N 2.9Å; I73-V93 HydrophobicContact CG1-CB 4.47Å; A74-V93 WeakPolarHBondContact CB-O 3.45Å; A74-V93 PolarHBondContact N-O 2.86Å; V77-V93 HydrophobicContact CG1-CG1 4.16Å; V77-V93 HydrophobicContact CG2-CB 4.39Å; V77-V93 HydrophobicContact CG2-CG1 3.68Å; V93-V97 HydrophobicContact CG1-CB 3.74Å; V93-V97 HydrophobicContact CG1-CG1 3.71Å; V93-V97 HydrophobicContact CG1-CG2 4.01Å; V93-L105 HydrophobicContact CG2-CD1 3.62Å; V93-V119 HydrophobicContact CG1-CB 4.43Å |
| 94 | E | 98.7 | Very high | 98.7 | Very high | 58 Ų | 58 | 28.1 Ų | 28.1 | 27% | 0.271 | 15% | 0.152 | S | C | . | . | trans | -82.4 | 174 | -177.5 | -69.8 | 179.9 | -173.3 | 0 | 0 | 112.5 | V77 V97 V119 R120 Q121 | V77-E94 WeakPolarHBondContact CG2-O 3.47Å; E94-V97 VanDerWaalsContact O-CG2 3.24Å; E94-V97 WeakPolarHBondContact O-CG2 3.39Å; E94-V119 PolarHBondContact N-O 3.23Å; E94-R120 VanDerWaalsContact OE1-CD 3.25Å; E94-R120 WeakPolarHBondContact OE1-CD 3.28Å; E94-R120 IonicContact OE1-CZ 2.72Å; E94-R120 IonicContact OE1-NE 2.8Å; E94-R120 IonicContact OE1-NH1 3.87Å; E94-R120 PolarHBondContact OE1-NH1 2.84Å; E94-R120 WeakPolarHBondContact OE2-CA 3.39Å; E94-Q121 HydrophobicContact CB-CB 4.21Å; E94-Q121 PolarHBondContact OE2-N 3.1Å | ||
| 95 | R | 98.1 | Very high | 98.7 | Very high | 86 Ų | 86 | 26.4 Ų | 26.4 | 33% | 0.325 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 152.6 | -174.5 | 177.6 | 175.2 | -69.2 | -81.8 | 5 | 111.6 | E6 A74 P75 V97 Q121 G122 | E6-R95 IonicContact OE2-CZ 2.75Å; E6-R95 VanDerWaalsContact OE2-CZ 3.31Å; E6-R95 IonicContact OE2-NH1 2.94Å; E6-R95 PolarHBondContact OE2-NH1 3.24Å; E6-R95 IonicContact OE2-NH2 3.31Å; E6-R95 PolarHBondContact OE2-NH2 3.37Å; A74-R95 HydrophobicContact CB-CB 4.33Å; P75-R95 WeakPolarHBondContact O-CG 2.86Å; P75-R95 PolarHBondContact O-NH1 3.44Å; R95-V97 PolarHBondContact O-N 2.83Å; R95-Q121 HydrophobicContact CB-CG 4.47Å; R95-Q121 WeakPolarHBondContact O-CA 3.39Å; R95-Q121 VanDerWaalsContact O-CG 3.31Å; R95-Q121 WeakPolarHBondContact O-CG 3.43Å; R95-G122 PolarHBondContact O-N 2.87Å |
| 96 | D | 97.9 | Very high | 98.6 | Very high | 49 Ų | 49 | 26.8 Ų | 26.8 | 26% | 0.262 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 11.9 | 175.7 | -61 | -37.2 | 0 | 0 | 0 | 115.4 | G76 G122 | G76-D96 PolarHBondContact O-N 3.44Å; D96-G122 WeakPolarHBondContact O-CA 3.26Å |
| 97 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -67.9 | 136.9 | 169.7 | 171.2 | 0 | 0 | 0 | 0 | 109.7 | V77 F78 V93 E94 R95 L99 V119 R120 A123 | V77-V97 WeakPolarHBondContact CA-O 3.26Å; V77-V97 HydrophobicContact CG2-CB 4.36Å; F78-V97 PolarHBondContact N-O 3.47Å; V93-V97 HydrophobicContact CG1-CB 3.74Å; V93-V97 HydrophobicContact CG1-CG1 3.71Å; V93-V97 HydrophobicContact CG1-CG2 4.01Å; E94-V97 VanDerWaalsContact O-CG2 3.24Å; E94-V97 WeakPolarHBondContact O-CG2 3.39Å; R95-V97 PolarHBondContact O-N 2.83Å; V97-L99 HydrophobicContact CG1-CD2 3.68Å; V97-L99 HydrophobicContact CG1-CG 4.07Å; V97-V119 HydrophobicContact CB-CG1 4.42Å; V97-V119 HydrophobicContact CG1-CG1 3.71Å; V97-V119 HydrophobicContact CG2-CB 4.49Å; V97-V119 HydrophobicContact CG2-CG1 3.78Å; V97-R120 VanDerWaalsContact CG2-O 3.26Å; V97-R120 WeakPolarHBondContact CG2-O 3.49Å; V97-A123 VanDerWaalsContact CA-O 3.28Å; V97-A123 WeakPolarHBondContact CA-O 3.2Å; V97-A123 HydrophobicContact CG2-CB 4.35Å | ||
| 98 | V | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.1 | 175.4 | -177 | 0 | 0 | 0 | 0 | 109.3 | N14 F78 F100 A123 F124 I125 | N14-V98 WeakPolarHBondContact OD1-CG2 3.34Å; F78-V98 HydrophobicContact CD1-CG1 4.3Å; F78-V98 WeakPolarHBondContact O-CA 3.29Å; V98-F100 HydrophobicContact CG1-CD2 4.26Å; V98-F100 HydrophobicContact CG1-CE2 3.79Å; V98-A123 PolarHBondContact N-O 3.17Å; V98-F124 HydrophobicContact CB-CD2 3.8Å; V98-F124 HydrophobicContact CB-CE2 4.24Å; V98-F124 HydrophobicContact CG1-CD2 4.04Å; V98-F124 HydrophobicContact CG1-CE2 3.96Å; V98-F124 HydrophobicContact CG2-CD2 4.26Å; V98-I125 PolarHBondContact O-N 3.19Å |
| 99 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 129.1 | 177 | -52.7 | 176.5 | 0 | 0 | 0 | 109.5 | F78 I79 D80 I87 V97 V103 I125 | F78-L99 PolarHBondContact O-N 3.43Å; I79-L99 CarbonylContact C-O 3.56Å; I79-L99 WeakPolarHBondContact CA-O 3.42Å; I79-L99 HydrophobicContact CG1-CB 4.37Å; I79-L99 HydrophobicContact CG1-CD1 4.32Å; D80-L99 PolarHBondContact N-O 2.93Å; I87-L99 HydrophobicContact CD1-CD1 3.87Å; V97-L99 HydrophobicContact CG1-CD2 3.68Å; V97-L99 HydrophobicContact CG1-CG 4.07Å; L99-V103 HydrophobicContact CD2-CG1 4.17Å; L99-I125 HydrophobicContact CD2-CB 3.7Å; L99-I125 HydrophobicContact CD2-CG1 3.46Å; L99-I125 VanDerWaalsContact CD2-CG1 3.46Å; L99-I125 HydrophobicContact CD2-CG2 4.49Å |
| 100 | F | 98.7 | Very high | 97.1 | Very high | 43 Ų | 43 | 39.7 Ų | 39.7 | 19% | 0.189 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 172.3 | 172.4 | -83.1 | -93.6 | 0 | 0 | 0 | 112.6 | D80 V85 V98 V103 F124 I125 A127 | D80-F100 HydrophobicContact CB-CD1 4.23Å; D80-F100 HydrophobicContact CB-CE1 3.96Å; D80-F100 HydrophobicContact CB-CZ 4.11Å; D80-F100 CarbonylContact O-C 3.38Å; D80-F100 WeakPolarHBondContact O-CA 3.4Å; D80-F100 VanDerWaalsContact OD2-CE1 3.28Å; D80-F100 WeakPolarHBondContact OD2-CE1 3.4Å; D80-F100 WeakPolarHBondContact OD2-CZ 3.5Å; V85-F100 WeakPolarHBondContact CG2-O 3.14Å; V98-F100 HydrophobicContact CG1-CD2 4.26Å; V98-F100 HydrophobicContact CG1-CE2 3.79Å; F100-V103 WeakPolarHBondContact O-CB 3.38Å; F100-V103 WeakPolarHBondContact O-CG2 3.46Å; F100-V103 PolarHBondContact O-N 3.22Å; F100-F124 HydrophobicContact CD2-CE1 4.17Å; F100-F124 AromaticContact CD2-CZ 3.96Å; F100-F124 HydrophobicContact CD2-CZ 3.96Å; F100-F124 AromaticContact CE2-CE1 3.85Å; F100-F124 HydrophobicContact CE2-CE1 3.85Å; F100-F124 AromaticContact CE2-CE2 3.65Å; F100-F124 HydrophobicContact CE2-CE2 3.65Å; F100-F124 AromaticContact CE2-CZ 3.18Å; F100-F124 HydrophobicContact CE2-CZ 3.18Å; F100-F124 HydrophobicContact CZ-CE2 4.43Å; F100-F124 AromaticContact CZ-CZ 3.94Å; F100-F124 HydrophobicContact CZ-CZ 3.94Å; F100-I125 PolarHBondContact N-O 2.93Å; F100-I125 VanDerWaalsContact N-O 3.07Å; F100-A127 HydrophobicContact CB-CB 4.06Å |
| 101 | H | 98.6 | Very high | 96.5 | Very high | 71 Ų | 71 | 43.2 Ų | 43.2 | 33% | 0.329 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | 148.9 | 172.6 | 54.9 | -89.1 | 0 | 0 | 0 | 113.9 | D80 H81 M83 V103 A127 N128 | D80-H101 PolarHBondContact O-N 2.83Å; H81-H101 VanDerWaalsContact O-CB 3.23Å; H81-H101 WeakPolarHBondContact O-CB 3.28Å; M83-H101 CarbonylContact O-C 3.51Å; M83-H101 WeakPolarHBondContact O-CA 3.33Å; M83-H101 VanDerWaalsContact O-CB 3.25Å; M83-H101 WeakPolarHBondContact O-CB 3.34Å; H101-V103 PolarHBondContact O-N 3.18Å; H101-A127 WeakPolarHBondContact NE2-CB 3.22Å; H101-A127 CarbonylContact O-C 3.58Å; H101-A127 WeakPolarHBondContact O-CA 3.24Å; H101-N128 PolarHBondContact O-N 3.42Å |
| 102 | G | 98.7 | Very high | 96.1 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 2.4 | 175 | 0 | 0 | 0 | 0 | 0 | 115.3 | M83 G84 T104 Q130 | M83-G102 PolarHBondContact O-N 3.22Å; G84-G102 WeakPolarHBondContact O-CA 3.42Å; G102-T104 PolarHBondContact O-N 3.5Å; G102-Q130 PolarHBondContact O-NE2 3.23Å; G102-Q130 VanDerWaalsContact O-NE2 3.09Å |
| 103 | V | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -66.2 | 130.2 | 175.8 | 169 | 0 | 0 | 0 | 0 | 110.1 | V85 V86 L99 F100 H101 L105 I125 S126 A129 | V85-V103 CarbonylContact C-O 3.6Å; V85-V103 VanDerWaalsContact CA-O 3.29Å; V85-V103 WeakPolarHBondContact CA-O 3.33Å; V85-V103 HydrophobicContact CG2-CB 4.39Å; V86-V103 PolarHBondContact N-O 3.05Å; L99-V103 HydrophobicContact CD2-CG1 4.17Å; F100-V103 WeakPolarHBondContact O-CB 3.38Å; F100-V103 WeakPolarHBondContact O-CG2 3.46Å; F100-V103 PolarHBondContact O-N 3.22Å; H101-V103 PolarHBondContact O-N 3.18Å; V103-L105 HydrophobicContact CG1-CD2 4.26Å; V103-I125 HydrophobicContact CB-CG2 4.33Å; V103-I125 HydrophobicContact CG1-CB 4.3Å; V103-I125 HydrophobicContact CG1-CG2 3.59Å; V103-I125 HydrophobicContact CG2-CB 4.28Å; V103-I125 HydrophobicContact CG2-CG2 3.69Å; V103-S126 VanDerWaalsContact CG2-O 3.23Å; V103-S126 WeakPolarHBondContact CG2-O 3.31Å; V103-A129 WeakPolarHBondContact CA-O 3.38Å; V103-A129 HydrophobicContact CG2-CB 4.48Å | ||
| 104 | T | 98.9 | Very high | 95.8 | Very high | 25 Ų | 25 | 53.1 Ų | 53.1 | 15% | 0.153 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.2 | 175.2 | -65.8 | 0 | 0 | 0 | 0 | 110.5 | V86 G102 A129 Q130 I131 L132 | V86-T104 HydrophobicContact CB-CG2 4.35Å; V86-T104 CarbonylContact O-C 3.57Å; V86-T104 WeakPolarHBondContact O-CA 3.42Å; G102-T104 PolarHBondContact O-N 3.5Å; T104-A129 PolarHBondContact N-O 3.45Å; T104-Q130 PolarHBondContact OG1-OE1 3.12Å; T104-Q130 VanDerWaalsContact OG1-OE1 3.12Å; T104-I131 PolarHBondContact O-N 3.02Å; T104-L132 HydrophobicContact CG2-CD2 4.31Å |
| 105 | L | 98.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 83.7 | 166.2 | -53.4 | -175.8 | 0 | 0 | 0 | 107.7 | V86 I87 G88 A91 V93 V103 H116 P117 V119 I131 | V86-L105 PolarHBondContact O-N 2.96Å; I87-L105 HydrophobicContact CG1-CD1 4.26Å; I87-L105 HydrophobicContact CG2-CD1 4.32Å; G88-L105 PolarHBondContact N-O 2.82Å; A91-L105 HydrophobicContact CB-CB 4.27Å; V93-L105 HydrophobicContact CG2-CD1 3.62Å; V103-L105 HydrophobicContact CG1-CD2 4.26Å; L105-H116 PolarHBondContact O-CD2 3.5Å; L105-P117 HydrophobicContact CB-CG 4.25Å; L105-P117 HydrophobicContact CD2-CG 4.44Å; L105-V119 HydrophobicContact CD1-CG2 3.91Å; L105-V119 HydrophobicContact CD2-CG2 3.86Å; L105-I131 HydrophobicContact CD2-CB 3.98Å; L105-I131 HydrophobicContact CD2-CD1 3.92Å; L105-I131 HydrophobicContact CD2-CG1 4.2Å |
| 106 | G | 98.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 9% | 0.093 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 172.1 | -163.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H116 P117 I131 L132 G133 | G106-H116 VanDerWaalsContact C-CD2 3.41Å; G106-P117 WeakPolarHBondContact O-CD 3.41Å; G106-I131 PolarHBondContact N-O 3.37Å; G106-L132 WeakPolarHBondContact O-CA 3.36Å; G106-G133 PolarHBondContact O-N 2.77Å |
| 107 | G | 96.7 | Very high | 95.8 | Very high | 31 Ų | 31 | 47.3 Ų | 47.3 | 32% | 0.32 | 28% | 0.275 | S | S | . | . | trans | -98.5 | 165.5 | 168 | 0 | 0 | 0 | 0 | 0 | 112 | R115 H116 | G107-R115 VanDerWaalsContact CA-O 3.26Å; G107-R115 WeakPolarHBondContact CA-O 3.45Å; G107-H116 PolarHBondContact N-CD2 2.8Å | ||
| 108 | T | 91.6 | Very high | 95.8 | Very high | 90 Ų | 90 | 47.6 Ų | 47.6 | 55% | 0.552 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -97.7 | -6.4 | 178.9 | 48.2 | 0 | 0 | 0 | 0 | 113.8 | L132 | T108-L132 HydrophobicContact CG2-CB 3.76Š|
| 109 | G | 89.2 | Confident | 95.8 | Very high | 53 Ų | 53 | 47.4 Ų | 47.4 | 55% | 0.546 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -170.3 | -152 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 110 | K | 84 | Confident | 95.8 | Very high | 211 Ų | 211 | 50.6 Ų | 50.6 | 92% | 0.917 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -100.2 | 15.7 | -178.2 | -63.7 | -175.4 | -179.1 | 178.7 | 0 | 113.3 | ||
| 111 | D | 86.9 | Confident | 95.8 | Very high | 102 Ų | 102 | 53.6 Ų | 53.6 | 55% | 0.545 | 30% | 0.302 | S | S | . | . | trans | -55.7 | 145.5 | 178.6 | -58.3 | -56.5 | 0 | 0 | 0 | 110.7 | R115 | D111-R115 HydrophobicContact CB-CB 4.35Å; D111-R115 WeakPolarHBondContact O-CD 3.18Å | ||
| 112 | T | 89.2 | Confident | 95.8 | Very high | 135 Ų | 135 | 51.8 Ų | 51.8 | 83% | 0.828 | 30% | 0.303 | S | S | * | . | trans | -104 | 152.7 | 175.5 | 55.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 113 | G | 94.1 | Very high | 95.8 | Very high | 46 Ų | 46 | 51.2 Ų | 51.2 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 85.8 | -149.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T90 R115 | T90-G113 VanDerWaalsContact CG2-O 3.29Å; T90-G113 WeakPolarHBondContact CG2-O 3.31Å; G113-R115 WeakPolarHBondContact O-CG 3.39Å; G113-R115 PolarHBondContact O-N 2.91Å; G113-R115 PolarHBondContact O-NH1 2.94Å |
| 114 | K | 97.2 | Very high | 95.8 | Very high | 89 Ų | 89 | 54.6 Ų | 54.6 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -66.6 | 112 | -179.6 | 178.4 | 59 | 168.4 | 172.5 | 0 | 109.6 | T90 H116 P117 T118 P134 | T90-K114 PolarHBondContact O-NZ 2.84Å; K114-H116 VanDerWaalsContact CE-O 3.23Å; K114-H116 WeakPolarHBondContact CE-O 3.26Å; K114-H116 PolarHBondContact NZ-O 2.87Å; K114-P117 PolarHBondContact NZ-O 3.04Å; K114-T118 WeakPolarHBondContact CE-OG1 3.23Å; K114-T118 PolarHBondContact NZ-OG1 2.86Å; K114-P134 HydrophobicContact CG-CB 4.19Å |
| 115 | R | 97.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | trans | -146.6 | 2 | -172 | 67.7 | -163.2 | -176.2 | -87.2 | 6 | 114.3 | E89 T90 G107 D111 G113 G133 | E89-R115 IonicContact OE2-CZ 3.51Å; E89-R115 IonicContact OE2-NH1 3.46Å; E89-R115 PolarHBondContact OE2-NH1 3.37Å; E89-R115 IonicContact OE2-NH2 2.67Å; E89-R115 PolarHBondContact OE2-NH2 2.72Å; T90-R115 PolarHBondContact OG1-N 2.97Å; T90-R115 VanDerWaalsContact OG1-N 3.11Å; G107-R115 VanDerWaalsContact CA-O 3.26Å; G107-R115 WeakPolarHBondContact CA-O 3.45Å; D111-R115 HydrophobicContact CB-CB 4.35Å; D111-R115 WeakPolarHBondContact O-CD 3.18Å; G113-R115 WeakPolarHBondContact O-CG 3.39Å; G113-R115 PolarHBondContact O-N 2.91Å; G113-R115 PolarHBondContact O-NH1 2.94Å; R115-G133 CarbonylContact O-C 3.59Å; R115-G133 WeakPolarHBondContact O-CA 3.16Å | ||
| 116 | H | 98.5 | Very high | 95.8 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 9% | 0.088 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -121.9 | 159.4 | -179.4 | -60.2 | 96.7 | 0 | 0 | 0 | 109.3 | E89 T90 A91 L105 G106 G107 K114 G133 | E89-H116 PolarHBondContact N-CE1 2.89Å; T90-H116 PolarHBondContact N-ND1 2.84Å; T90-H116 PolarHBondContact OG1-N 3.46Å; T90-H116 PolarHBondContact OG1-ND1 2.8Å; A91-H116 HydrophobicContact CB-CB 4.04Å; L105-H116 PolarHBondContact O-CD2 3.5Å; G106-H116 VanDerWaalsContact C-CD2 3.41Å; G107-H116 PolarHBondContact N-CD2 2.8Å; K114-H116 VanDerWaalsContact CE-O 3.23Å; K114-H116 WeakPolarHBondContact CE-O 3.26Å; K114-H116 PolarHBondContact NZ-O 2.87Å; H116-G133 CarbonylContact C-O 3.57Å |
| 117 | P | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -63.2 | 158.8 | -171 | -25.3 | 34.7 | 0 | 0 | 0 | 114.2 | A91 E92 L105 G106 K114 V119 I131 G133 I135 | A91-P117 WeakPolarHBondContact CA-O 3.13Å; E92-P117 PolarHBondContact N-O 2.92Å; E92-P117 VanDerWaalsContact N-O 3.1Å; L105-P117 HydrophobicContact CB-CG 4.25Å; L105-P117 HydrophobicContact CD2-CG 4.44Å; G106-P117 WeakPolarHBondContact O-CD 3.41Å; K114-P117 PolarHBondContact NZ-O 3.04Å; P117-V119 HydrophobicContact CB-CG2 4.44Å; P117-I131 HydrophobicContact CB-CG2 3.75Å; P117-I131 HydrophobicContact CG-CB 3.93Å; P117-I131 HydrophobicContact CG-CG2 3.47Å; P117-I131 VanDerWaalsContact CG-CG2 3.47Å; P117-I131 WeakPolarHBondContact CG-O 3.44Å; P117-G133 WeakPolarHBondContact CA-O 3.33Å; P117-G133 WeakPolarHBondContact CD-O 3.1Å; P117-G133 VanDerWaalsContact N-O 3.08Å; P117-I135 CarbonylContact C-O 3.47Å; P117-I135 VanDerWaalsContact CA-O 3.26Å; P117-I135 WeakPolarHBondContact CA-O 3.23Å; P117-I135 HydrophobicContact CB-CG1 4.49Å | ||
| 118 | T | 98.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 119.9 | 160.4 | -60.1 | 0 | 0 | 0 | 0 | 108.1 | E92 K114 R120 I135 E136 I137 | E92-T118 HydrophobicContact CB-CG2 4.14Å; E92-T118 CarbonylContact O-C 3.59Å; E92-T118 WeakPolarHBondContact O-CA 3.34Å; K114-T118 WeakPolarHBondContact CE-OG1 3.23Å; K114-T118 PolarHBondContact NZ-OG1 2.86Å; T118-R120 VanDerWaalsContact CG2-CZ 3.48Å; T118-I135 PolarHBondContact N-O 3.5Å; T118-E136 WeakPolarHBondContact O-CA 3.22Å; T118-I137 PolarHBondContact O-N 2.87Å |
| 119 | V | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 110 | 179.9 | -172.1 | 0 | 0 | 0 | 0 | 108.7 | E92 V93 E94 V97 L105 P117 A123 I125 I137 | E92-V119 PolarHBondContact O-N 3.1Å; V93-V119 HydrophobicContact CG1-CB 4.43Å; E94-V119 PolarHBondContact N-O 3.23Å; V97-V119 HydrophobicContact CB-CG1 4.42Å; V97-V119 HydrophobicContact CG1-CG1 3.71Å; V97-V119 HydrophobicContact CG2-CB 4.49Å; V97-V119 HydrophobicContact CG2-CG1 3.78Å; L105-V119 HydrophobicContact CD1-CG2 3.91Å; L105-V119 HydrophobicContact CD2-CG2 3.86Å; P117-V119 HydrophobicContact CB-CG2 4.44Å; V119-A123 HydrophobicContact CG1-CB 3.72Å; V119-I125 HydrophobicContact CG1-CD1 4.19Å; V119-I125 HydrophobicContact CG1-CG1 4.35Å; V119-I137 HydrophobicContact CG1-CB 4.25Å; V119-I137 HydrophobicContact CG1-CG2 4.35Å; V119-I137 HydrophobicContact CG2-CB 4.48Å; V119-I137 HydrophobicContact CG2-CG1 4.37Å |
| 120 | R | 98.8 | Very high | 96.7 | Very high | 67 Ų | 67 | 53.3 Ų | 53.3 | 25% | 0.253 | 28% | 0.281 | S | S | . | . | trans | -77.9 | 162.9 | -173.6 | -56.9 | -62.7 | -175.3 | -178.8 | 0 | 112.2 | E94 V97 T118 G122 A123 E136 I137 A139 | E94-R120 VanDerWaalsContact OE1-CD 3.25Å; E94-R120 WeakPolarHBondContact OE1-CD 3.28Å; E94-R120 IonicContact OE1-CZ 2.72Å; E94-R120 IonicContact OE1-NE 2.8Å; E94-R120 IonicContact OE1-NH1 3.87Å; E94-R120 PolarHBondContact OE1-NH1 2.84Å; E94-R120 WeakPolarHBondContact OE2-CA 3.39Å; V97-R120 VanDerWaalsContact CG2-O 3.26Å; V97-R120 WeakPolarHBondContact CG2-O 3.49Å; T118-R120 VanDerWaalsContact CG2-CZ 3.48Å; R120-G122 PolarHBondContact O-N 2.81Å; R120-A123 VanDerWaalsContact O-CB 3.32Å; R120-A123 WeakPolarHBondContact O-CB 3.24Å; R120-A123 PolarHBondContact O-N 2.85Å; R120-E136 IonicContact CZ-OE1 3.52Å; R120-E136 IonicContact CZ-OE2 2.8Å; R120-E136 VanDerWaalsContact CZ-OE2 3.31Å; R120-E136 IonicContact NE-OE2 3.96Å; R120-E136 PolarHBondContact NE-OE2 2.86Å; R120-E136 IonicContact NH2-OE1 3.76Å; R120-E136 PolarHBondContact NH2-OE1 2.68Å; R120-E136 IonicContact NH2-OE2 3.78Å; R120-E136 PolarHBondContact NH2-OE2 2.76Å; R120-I137 WeakPolarHBondContact CB-O 3.38Å; R120-I137 WeakPolarHBondContact CG-O 3.31Å; R120-I137 PolarHBondContact N-O 2.83Å; R120-A139 HydrophobicContact CB-CB 4.13Å | ||
| 121 | Q | 98.7 | Very high | 97.4 | Very high | 106 Ų | 106 | 43.3 Ų | 43.3 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 133.7 | -170.8 | -175.6 | 176 | -54.1 | 0 | 0 | 113.2 | E94 R95 A123 A139 G140 | E94-Q121 HydrophobicContact CB-CB 4.21Å; E94-Q121 PolarHBondContact OE2-N 3.1Å; R95-Q121 HydrophobicContact CB-CG 4.47Å; R95-Q121 WeakPolarHBondContact O-CA 3.39Å; R95-Q121 VanDerWaalsContact O-CG 3.31Å; R95-Q121 WeakPolarHBondContact O-CG 3.43Å; Q121-A123 PolarHBondContact O-N 3.07Å; Q121-A139 CarbonylContact O-C 3.55Å; Q121-A139 VanDerWaalsContact O-CA 3.26Å; Q121-A139 WeakPolarHBondContact O-CA 3.44Å; Q121-A139 WeakPolarHBondContact O-CB 3.39Å; Q121-G140 PolarHBondContact O-N 3.23Å |
| 122 | G | 98.3 | Very high | 97.9 | Very high | 33 Ų | 33 | 40.4 Ų | 40.4 | 34% | 0.34 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 5.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.6 | R95 D96 R120 | R95-G122 PolarHBondContact O-N 2.87Å; D96-G122 WeakPolarHBondContact O-CA 3.26Å; R120-G122 PolarHBondContact O-N 2.81Å |
| 123 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -64.7 | 145.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V97 V98 V119 R120 Q121 I125 I137 S141 | V97-A123 VanDerWaalsContact CA-O 3.28Å; V97-A123 WeakPolarHBondContact CA-O 3.2Å; V97-A123 HydrophobicContact CG2-CB 4.35Å; V98-A123 PolarHBondContact N-O 3.17Å; V119-A123 HydrophobicContact CG1-CB 3.72Å; R120-A123 VanDerWaalsContact O-CB 3.32Å; R120-A123 WeakPolarHBondContact O-CB 3.24Å; R120-A123 PolarHBondContact O-N 2.85Å; Q121-A123 PolarHBondContact O-N 3.07Å; A123-I125 HydrophobicContact CB-CD1 4.32Å; A123-I137 HydrophobicContact CB-CG2 3.99Å; A123-S141 CarbonylContact C-O 3.56Å; A123-S141 VanDerWaalsContact CA-O 3.31Å; A123-S141 WeakPolarHBondContact CA-O 3.17Å | ||
| 124 | F | 98.8 | Very high | 98.5 | Very high | 71 Ų | 71 | 35.5 Ų | 35.5 | 31% | 0.311 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 114.8 | -178 | -174 | -80.2 | 0 | 0 | 0 | 109.9 | V98 F100 S141 K142 I143 | V98-F124 HydrophobicContact CB-CD2 3.8Å; V98-F124 HydrophobicContact CB-CE2 4.24Å; V98-F124 HydrophobicContact CG1-CD2 4.04Å; V98-F124 HydrophobicContact CG1-CE2 3.96Å; V98-F124 HydrophobicContact CG2-CD2 4.26Å; F100-F124 HydrophobicContact CD2-CE1 4.17Å; F100-F124 AromaticContact CD2-CZ 3.96Å; F100-F124 HydrophobicContact CD2-CZ 3.96Å; F100-F124 AromaticContact CE2-CE1 3.85Å; F100-F124 HydrophobicContact CE2-CE1 3.85Å; F100-F124 AromaticContact CE2-CE2 3.65Å; F100-F124 HydrophobicContact CE2-CE2 3.65Å; F100-F124 AromaticContact CE2-CZ 3.18Å; F100-F124 HydrophobicContact CE2-CZ 3.18Å; F100-F124 HydrophobicContact CZ-CE2 4.43Å; F100-F124 AromaticContact CZ-CZ 3.94Å; F100-F124 HydrophobicContact CZ-CZ 3.94Å; F124-S141 PolarHBondContact N-O 2.81Å; F124-K142 HydrophobicContact CB-CG 4.23Å; F124-K142 CarbonylContact O-C 3.54Å; F124-K142 WeakPolarHBondContact O-CA 3.28Å; F124-I143 PolarHBondContact O-N 2.8Å |
| 125 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 106.4 | -175.1 | -43.2 | -56 | 0 | 0 | 0 | 109.2 | V98 L99 F100 V103 V119 A123 A129 I131 I137 I143 | V98-I125 PolarHBondContact O-N 3.19Å; L99-I125 HydrophobicContact CD2-CB 3.7Å; L99-I125 HydrophobicContact CD2-CG1 3.46Å; L99-I125 VanDerWaalsContact CD2-CG1 3.46Å; L99-I125 HydrophobicContact CD2-CG2 4.49Å; F100-I125 PolarHBondContact N-O 2.93Å; F100-I125 VanDerWaalsContact N-O 3.07Å; V103-I125 HydrophobicContact CB-CG2 4.33Å; V103-I125 HydrophobicContact CG1-CB 4.3Å; V103-I125 HydrophobicContact CG1-CG2 3.59Å; V103-I125 HydrophobicContact CG2-CB 4.28Å; V103-I125 HydrophobicContact CG2-CG2 3.69Å; V119-I125 HydrophobicContact CG1-CD1 4.19Å; V119-I125 HydrophobicContact CG1-CG1 4.35Å; A123-I125 HydrophobicContact CB-CD1 4.32Å; I125-A129 HydrophobicContact CG2-CB 3.79Å; I125-I131 HydrophobicContact CD1-CD1 3.86Å; I125-I131 HydrophobicContact CG1-CD1 4.28Å; I125-I131 HydrophobicContact CG2-CD1 3.74Å; I125-I137 HydrophobicContact CD1-CG2 3.94Å; I125-I143 HydrophobicContact CD1-CB 4.12Å; I125-I143 HydrophobicContact CD1-CG1 3.56Å; I125-I143 HydrophobicContact CG2-CB 4.3Å |
| 126 | S | 98.7 | Very high | 98.6 | Very high | 26 Ų | 26 | 33.1 Ų | 33.1 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | trans | -72.8 | 165.6 | -175.4 | -53.4 | 0 | 0 | 0 | 0 | 112.5 | V103 N128 A129 I143 | V103-S126 VanDerWaalsContact CG2-O 3.23Å; V103-S126 WeakPolarHBondContact CG2-O 3.31Å; S126-N128 PolarHBondContact O-N 2.92Å; S126-A129 VanDerWaalsContact O-CB 3.31Å; S126-A129 WeakPolarHBondContact O-CB 3.26Å; S126-A129 PolarHBondContact O-N 2.77Å; S126-I143 WeakPolarHBondContact CB-O 3.25Å; S126-I143 PolarHBondContact N-O 3.21Å; S126-I143 PolarHBondContact OG-O 3.23Å | ||
| 127 | A | 98.7 | Very high | 98.6 | Very high | 17 Ų | 17 | 32.2 Ų | 32.2 | 14% | 0.14 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | 137.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F100 H101 A129 A145 G146 | F100-A127 HydrophobicContact CB-CB 4.06Å; H101-A127 WeakPolarHBondContact NE2-CB 3.22Å; H101-A127 CarbonylContact O-C 3.58Å; H101-A127 WeakPolarHBondContact O-CA 3.24Å; A127-A129 PolarHBondContact O-N 2.82Å; A127-A129 VanDerWaalsContact O-N 3.1Å; A127-A145 CarbonylContact O-C 3.59Å; A127-A145 WeakPolarHBondContact O-CA 3.38Å; A127-A145 WeakPolarHBondContact O-CB 3.24Å; A127-G146 PolarHBondContact O-N 2.97Å |
| 128 | N | 98.7 | Very high | 98.6 | Very high | 83 Ų | 83 | 32.7 Ų | 32.7 | 44% | 0.444 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 14 | 177.1 | -54.4 | -63.5 | 0 | 0 | 0 | 115.4 | H101 S126 Q130 | H101-N128 PolarHBondContact O-N 3.42Å; S126-N128 PolarHBondContact O-N 2.92Å; N128-Q130 PolarHBondContact O-N 2.98Å; N128-Q130 PolarHBondContact O-NE2 2.91Å |
| 129 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -67.2 | 133.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V103 T104 I125 S126 A127 I143 A147 | V103-A129 WeakPolarHBondContact CA-O 3.38Å; V103-A129 HydrophobicContact CG2-CB 4.48Å; T104-A129 PolarHBondContact N-O 3.45Å; I125-A129 HydrophobicContact CG2-CB 3.79Å; S126-A129 VanDerWaalsContact O-CB 3.31Å; S126-A129 WeakPolarHBondContact O-CB 3.26Å; S126-A129 PolarHBondContact O-N 2.77Å; A127-A129 PolarHBondContact O-N 2.82Å; A127-A129 VanDerWaalsContact O-N 3.1Å; A129-I143 HydrophobicContact CB-CG2 3.75Å; A129-A147 CarbonylContact C-O 3.43Å; A129-A147 WeakPolarHBondContact CA-O 3.26Å | ||
| 130 | Q | 98.8 | Very high | 98.6 | Very high | 57 Ų | 57 | 35.8 Ų | 35.8 | 27% | 0.266 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 114.2 | 178.3 | -50.5 | -56.1 | -65 | 0 | 0 | 108.6 | G102 T104 N128 L132 A147 V148 V149 | G102-Q130 PolarHBondContact O-NE2 3.23Å; G102-Q130 VanDerWaalsContact O-NE2 3.09Å; T104-Q130 PolarHBondContact OG1-OE1 3.12Å; T104-Q130 VanDerWaalsContact OG1-OE1 3.12Å; N128-Q130 PolarHBondContact O-N 2.98Å; N128-Q130 PolarHBondContact O-NE2 2.91Å; Q130-L132 HydrophobicContact CB-CG 4.4Å; Q130-A147 PolarHBondContact N-O 2.99Å; Q130-V148 HydrophobicContact CB-CG2 4.2Å; Q130-V148 HydrophobicContact CG-CG2 4.34Å; Q130-V148 CarbonylContact O-C 3.39Å; Q130-V148 WeakPolarHBondContact O-CA 3.3Å; Q130-V149 PolarHBondContact O-N 2.8Å |
| 131 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 110.7 | -179.6 | -48.8 | -171.5 | 0 | 0 | 0 | 107.1 | T104 L105 G106 P117 I125 I135 I137 I143 V149 | T104-I131 PolarHBondContact O-N 3.02Å; L105-I131 HydrophobicContact CD2-CB 3.98Å; L105-I131 HydrophobicContact CD2-CD1 3.92Å; L105-I131 HydrophobicContact CD2-CG1 4.2Å; G106-I131 PolarHBondContact N-O 3.37Å; P117-I131 HydrophobicContact CB-CG2 3.75Å; P117-I131 HydrophobicContact CG-CB 3.93Å; P117-I131 HydrophobicContact CG-CG2 3.47Å; P117-I131 VanDerWaalsContact CG-CG2 3.47Å; P117-I131 WeakPolarHBondContact CG-O 3.44Å; I125-I131 HydrophobicContact CD1-CD1 3.86Å; I125-I131 HydrophobicContact CG1-CD1 4.28Å; I125-I131 HydrophobicContact CG2-CD1 3.74Å; I131-I135 HydrophobicContact CG2-CD1 3.74Å; I131-I135 HydrophobicContact CG2-CG1 4.05Å; I131-I137 HydrophobicContact CD1-CD1 4.13Å; I131-I137 HydrophobicContact CD1-CG1 3.92Å; I131-I137 HydrophobicContact CG2-CD1 3.81Å; I131-I137 HydrophobicContact CG2-CG1 3.86Å; I131-I143 HydrophobicContact CD1-CG1 4.23Å; I131-V149 HydrophobicContact CG1-CB 4.37Å; I131-V149 HydrophobicContact CG1-CG2 4.23Å; I131-V149 HydrophobicContact CG2-CB 4.26Å |
| 132 | L | 98.5 | Very high | 98.6 | Very high | 41 Ų | 41 | 33.1 Ų | 33.1 | 22% | 0.215 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.2 | -163.6 | -54.5 | 177.9 | 0 | 0 | 0 | 111.7 | T104 G106 T108 Q130 V149 L150 | T104-L132 HydrophobicContact CG2-CD2 4.31Å; G106-L132 WeakPolarHBondContact O-CA 3.36Å; T108-L132 HydrophobicContact CG2-CB 3.76Å; Q130-L132 HydrophobicContact CB-CG 4.4Å; L132-V149 PolarHBondContact N-O 3.25Å; L132-L150 HydrophobicContact CB-CD2 4.11Å; L132-L150 HydrophobicContact CD1-CD2 4.25Å |
| 133 | G | 97.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 99.8 | 178.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G106 R115 H116 P117 I135 | G106-G133 PolarHBondContact O-N 2.77Å; R115-G133 CarbonylContact O-C 3.59Å; R115-G133 WeakPolarHBondContact O-CA 3.16Å; H116-G133 CarbonylContact C-O 3.57Å; P117-G133 WeakPolarHBondContact CA-O 3.33Å; P117-G133 WeakPolarHBondContact CD-O 3.1Å; P117-G133 VanDerWaalsContact N-O 3.08Å; G133-I135 PolarHBondContact O-N 2.85Å |
| 134 | P | 97.6 | Very high | 98.6 | Very high | 76 Ų | 76 | 32.2 Ų | 32.2 | 49% | 0.494 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -77.7 | 47.5 | 178.9 | 35.4 | -36.8 | 0 | 0 | 0 | 112.2 | K114 | K114-P134 HydrophobicContact CG-CB 4.19Š|
| 135 | I | 98.3 | Very high | 98.6 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 8% | 0.077 | 20% | 0.199 | C | C | . | . | trans | -95.1 | 160.5 | -177.8 | 61.2 | 171.9 | 0 | 0 | 0 | 112 | P117 T118 I131 G133 V149 D152 | P117-I135 CarbonylContact C-O 3.47Å; P117-I135 VanDerWaalsContact CA-O 3.26Å; P117-I135 WeakPolarHBondContact CA-O 3.23Å; P117-I135 HydrophobicContact CB-CG1 4.49Å; T118-I135 PolarHBondContact N-O 3.5Å; I131-I135 HydrophobicContact CG2-CD1 3.74Å; I131-I135 HydrophobicContact CG2-CG1 4.05Å; G133-I135 PolarHBondContact O-N 2.85Å; I135-V149 HydrophobicContact CD1-CB 4.22Å; I135-V149 HydrophobicContact CD1-CG1 3.75Å; I135-V149 WeakPolarHBondContact CD1-O 3.32Å; I135-D152 WeakPolarHBondContact CA-OD1 3.33Å; I135-D152 WeakPolarHBondContact CB-OD1 3.36Å | ||
| 136 | E | 98.7 | Very high | 98.6 | Very high | 77 Ų | 77 | 34.1 Ų | 34.1 | 36% | 0.36 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.8 | 178.4 | -59.5 | -152.9 | 177 | 0 | 0 | 112.6 | T118 R120 D152 I153 | T118-E136 WeakPolarHBondContact O-CA 3.22Å; R120-E136 IonicContact CZ-OE1 3.52Å; R120-E136 IonicContact CZ-OE2 2.8Å; R120-E136 VanDerWaalsContact CZ-OE2 3.31Å; R120-E136 IonicContact NE-OE2 3.96Å; R120-E136 PolarHBondContact NE-OE2 2.86Å; R120-E136 IonicContact NH2-OE1 3.76Å; R120-E136 PolarHBondContact NH2-OE1 2.68Å; R120-E136 IonicContact NH2-OE2 3.78Å; R120-E136 PolarHBondContact NH2-OE2 2.76Å; E136-D152 PolarHBondContact N-OD1 2.91Å; E136-D152 CarbonylContact O-C 3.58Å; E136-D152 WeakPolarHBondContact O-CA 3.4Å; E136-I153 PolarHBondContact O-N 3.05Å |
| 137 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 106.4 | 169.9 | -55.4 | -59.8 | 0 | 0 | 0 | 107.5 | T118 V119 R120 A123 I125 I131 S141 I143 V149 I153 | T118-I137 PolarHBondContact O-N 2.87Å; V119-I137 HydrophobicContact CG1-CB 4.25Å; V119-I137 HydrophobicContact CG1-CG2 4.35Å; V119-I137 HydrophobicContact CG2-CB 4.48Å; V119-I137 HydrophobicContact CG2-CG1 4.37Å; R120-I137 WeakPolarHBondContact CB-O 3.38Å; R120-I137 WeakPolarHBondContact CG-O 3.31Å; R120-I137 PolarHBondContact N-O 2.83Å; A123-I137 HydrophobicContact CB-CG2 3.99Å; I125-I137 HydrophobicContact CD1-CG2 3.94Å; I131-I137 HydrophobicContact CD1-CD1 4.13Å; I131-I137 HydrophobicContact CD1-CG1 3.92Å; I131-I137 HydrophobicContact CG2-CD1 3.81Å; I131-I137 HydrophobicContact CG2-CG1 3.86Å; I137-S141 WeakPolarHBondContact CG2-OG 3.05Å; I137-I143 HydrophobicContact CD1-CD1 4.17Å; I137-I143 HydrophobicContact CD1-CG1 4.48Å; I137-I143 HydrophobicContact CG2-CD1 4.25Å; I137-I143 HydrophobicContact CG2-CG1 4.17Å; I137-V149 HydrophobicContact CD1-CG1 3.92Å; I137-I153 HydrophobicContact CD1-CB 4.06Å; I137-I153 HydrophobicContact CD1-CG1 3.74Å |
| 138 | G | 98.7 | Very high | 98.6 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 9% | 0.093 | 21% | 0.211 | C | C | . | . | trans | -60 | 158.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S141 I153 | G138-S141 WeakPolarHBondContact O-CB 3.32Å; G138-S141 PolarHBondContact O-N 2.86Å; G138-S141 PolarHBondContact O-OG 2.95Å; G138-I153 WeakPolarHBondContact CA-O 3.23Å; G138-I153 PolarHBondContact N-O 2.91Å | ||
| 139 | A | 98.7 | Very high | 98.6 | Very high | 43 Ų | 43 | 29.7 Ų | 29.7 | 36% | 0.355 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 140.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R120 Q121 S141 A155 D156 | R120-A139 HydrophobicContact CB-CB 4.13Å; Q121-A139 CarbonylContact O-C 3.55Å; Q121-A139 VanDerWaalsContact O-CA 3.26Å; Q121-A139 WeakPolarHBondContact O-CA 3.44Å; Q121-A139 WeakPolarHBondContact O-CB 3.39Å; A139-S141 PolarHBondContact O-N 2.85Å; A139-A155 CarbonylContact O-C 3.55Å; A139-A155 VanDerWaalsContact O-CA 3.29Å; A139-A155 WeakPolarHBondContact O-CA 3.2Å; A139-A155 WeakPolarHBondContact O-CB 3.19Å; A139-D156 PolarHBondContact O-N 2.65Å |
| 140 | G | 98.3 | Very high | 98.5 | Very high | 28 Ų | 28 | 33.8 Ų | 33.8 | 29% | 0.289 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 2.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q121 | Q121-G140 PolarHBondContact O-N 3.23Š|
| 141 | S | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -70.4 | 158.9 | -179.7 | 68.3 | 0 | 0 | 0 | 0 | 112 | A123 F124 I137 G138 A139 A157 | A123-S141 CarbonylContact C-O 3.56Å; A123-S141 VanDerWaalsContact CA-O 3.31Å; A123-S141 WeakPolarHBondContact CA-O 3.17Å; F124-S141 PolarHBondContact N-O 2.81Å; I137-S141 WeakPolarHBondContact CG2-OG 3.05Å; G138-S141 WeakPolarHBondContact O-CB 3.32Å; G138-S141 PolarHBondContact O-N 2.86Å; G138-S141 PolarHBondContact O-OG 2.95Å; A139-S141 PolarHBondContact O-N 2.85Å; S141-A157 CarbonylContact C-O 3.12Å; S141-A157 WeakPolarHBondContact CA-O 3.29Å; S141-A157 WeakPolarHBondContact CB-O 3.18Å | ||
| 142 | K | 98.7 | Very high | 98.5 | Very high | 118 Ų | 118 | 43 Ų | 43 | 51% | 0.513 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.9 | -177.9 | -59.8 | -175.8 | 178.6 | 179.2 | 0 | 109.9 | F124 A157 T158 A159 | F124-K142 HydrophobicContact CB-CG 4.23Å; F124-K142 CarbonylContact O-C 3.54Å; F124-K142 WeakPolarHBondContact O-CA 3.28Å; K142-A157 PolarHBondContact N-O 3.19Å; K142-T158 HydrophobicContact CB-CG2 4.21Å; K142-T158 CarbonylContact O-C 3.48Å; K142-T158 VanDerWaalsContact O-CA 3.23Å; K142-T158 WeakPolarHBondContact O-CA 3.2Å; K142-A159 PolarHBondContact O-N 2.88Å |
| 143 | I | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125.8 | 174.7 | -52.6 | -54.6 | 0 | 0 | 0 | 108.3 | F124 I125 S126 A129 I131 I137 A147 V149 I153 A159 | F124-I143 PolarHBondContact O-N 2.8Å; I125-I143 HydrophobicContact CD1-CB 4.12Å; I125-I143 HydrophobicContact CD1-CG1 3.56Å; I125-I143 HydrophobicContact CG2-CB 4.3Å; S126-I143 WeakPolarHBondContact CB-O 3.25Å; S126-I143 PolarHBondContact N-O 3.21Å; S126-I143 PolarHBondContact OG-O 3.23Å; A129-I143 HydrophobicContact CB-CG2 3.75Å; I131-I143 HydrophobicContact CD1-CG1 4.23Å; I137-I143 HydrophobicContact CD1-CD1 4.17Å; I137-I143 HydrophobicContact CD1-CG1 4.48Å; I137-I143 HydrophobicContact CG2-CD1 4.25Å; I137-I143 HydrophobicContact CG2-CG1 4.17Å; I143-A147 HydrophobicContact CG2-CB 3.87Å; I143-V149 HydrophobicContact CD1-CG2 4.18Å; I143-V149 HydrophobicContact CG1-CG2 4.5Å; I143-V149 HydrophobicContact CG2-CG2 3.64Å; I143-I153 HydrophobicContact CD1-CB 4.38Å; I143-I153 HydrophobicContact CD1-CG1 3.92Å; I143-I153 HydrophobicContact CD1-CG2 4.14Å; I143-A159 HydrophobicContact CD1-CB 3.91Å |
| 144 | G | 98.5 | Very high | 98.5 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -68 | 157.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | A147 A159 | G144-A147 VanDerWaalsContact O-CB 3.24Å; G144-A147 WeakPolarHBondContact O-CB 3.47Å; G144-A147 PolarHBondContact O-N 2.83Å; G144-A159 PolarHBondContact N-O 2.96Å |
| 145 | A | 98.6 | Very high | 98.5 | Very high | 74 Ų | 74 | 43 Ų | 43 | 61% | 0.612 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 138.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A127 A147 | A127-A145 CarbonylContact O-C 3.59Å; A127-A145 WeakPolarHBondContact O-CA 3.38Å; A127-A145 WeakPolarHBondContact O-CB 3.24Å; A145-A147 PolarHBondContact O-N 3.44Å; A145-A147 VanDerWaalsContact O-N 3.12Å |
| 146 | G | 98.5 | Very high | 98.5 | Very high | 37 Ų | 37 | 46.2 Ų | 46.2 | 38% | 0.381 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 8.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A127 | A127-G146 PolarHBondContact O-N 2.97Š|
| 147 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -68.9 | 144.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A129 Q130 I143 G144 A145 G161 A164 | A129-A147 CarbonylContact C-O 3.43Å; A129-A147 WeakPolarHBondContact CA-O 3.26Å; Q130-A147 PolarHBondContact N-O 2.99Å; I143-A147 HydrophobicContact CG2-CB 3.87Å; G144-A147 VanDerWaalsContact O-CB 3.24Å; G144-A147 WeakPolarHBondContact O-CB 3.47Å; G144-A147 PolarHBondContact O-N 2.83Å; A145-A147 PolarHBondContact O-N 3.44Å; A145-A147 VanDerWaalsContact O-N 3.12Å; A147-G161 VanDerWaalsContact CA-O 3.26Å; A147-G161 WeakPolarHBondContact CA-O 3.43Å; A147-A164 HydrophobicContact CB-CB 4.15Å | ||
| 148 | V | 98.7 | Very high | 98.5 | Very high | 32 Ų | 32 | 44.4 Ų | 44.4 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 104.3 | 172.9 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | Q130 L150 G161 V162 A164 | Q130-V148 HydrophobicContact CB-CG2 4.2Å; Q130-V148 HydrophobicContact CG-CG2 4.34Å; Q130-V148 CarbonylContact O-C 3.39Å; Q130-V148 WeakPolarHBondContact O-CA 3.3Å; V148-L150 HydrophobicContact CG1-CD2 3.99Å; V148-L150 HydrophobicContact CG1-CG 4.1Å; V148-G161 PolarHBondContact N-O 3.48Å; V148-V162 HydrophobicContact CB-CG1 4.06Å; V148-V162 HydrophobicContact CB-CG2 4.29Å; V148-V162 HydrophobicContact CG2-CB 4.41Å; V148-V162 HydrophobicContact CG2-CG1 3.87Å; V148-V162 HydrophobicContact CG2-CG2 3.87Å; V148-A164 WeakPolarHBondContact O-CB 3.33Å; V148-A164 PolarHBondContact O-N 3.18Å |
| 149 | V | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119.5 | -176.2 | -166.8 | 0 | 0 | 0 | 0 | 109.3 | Q130 I131 L132 I135 I137 I143 E151 I153 A164 | Q130-V149 PolarHBondContact O-N 2.8Å; I131-V149 HydrophobicContact CG1-CB 4.37Å; I131-V149 HydrophobicContact CG1-CG2 4.23Å; I131-V149 HydrophobicContact CG2-CB 4.26Å; L132-V149 PolarHBondContact N-O 3.25Å; I135-V149 HydrophobicContact CD1-CB 4.22Å; I135-V149 HydrophobicContact CD1-CG1 3.75Å; I135-V149 WeakPolarHBondContact CD1-O 3.32Å; I137-V149 HydrophobicContact CD1-CG1 3.92Å; I143-V149 HydrophobicContact CD1-CG2 4.18Å; I143-V149 HydrophobicContact CG1-CG2 4.5Å; I143-V149 HydrophobicContact CG2-CG2 3.64Å; V149-E151 VanDerWaalsContact CG1-O 3.3Å; V149-E151 WeakPolarHBondContact CG1-O 3.32Å; V149-I153 HydrophobicContact CG1-CD1 3.87Å; V149-I153 HydrophobicContact CG1-CG1 3.62Å; V149-A164 HydrophobicContact CB-CB 4.34Å; V149-A164 HydrophobicContact CG2-CB 3.81Å |
| 150 | L | 98 | Very high | 98.5 | Very high | 86 Ų | 86 | 45 Ų | 45 | 45% | 0.45 | 27% | 0.273 | S | S | . | . | trans | -119.5 | -4.1 | -176.9 | -58.7 | 176.5 | 0 | 0 | 0 | 112.9 | L132 V148 P163 | L132-L150 HydrophobicContact CB-CD2 4.11Å; L132-L150 HydrophobicContact CD1-CD2 4.25Å; V148-L150 HydrophobicContact CG1-CD2 3.99Å; V148-L150 HydrophobicContact CG1-CG 4.1Å; L150-P163 HydrophobicContact CD1-CB 4.32Å | ||
| 151 | E | 98.1 | Very high | 98.4 | Very high | 149 Ų | 149 | 45.4 Ų | 45.4 | 70% | 0.696 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -139.6 | 159.5 | -175.2 | -64.1 | 179 | -179.8 | 0 | 0 | 109.6 | V149 | V149-E151 VanDerWaalsContact CG1-O 3.3Å; V149-E151 WeakPolarHBondContact CG1-O 3.32Å |
| 152 | D | 98.5 | Very high | 98.4 | Very high | 101 Ų | 101 | 50.6 Ų | 50.6 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | trans | -59.2 | 137.7 | -179.7 | -66.8 | -15.3 | 0 | 0 | 0 | 111.9 | I135 E136 | I135-D152 WeakPolarHBondContact CA-OD1 3.33Å; I135-D152 WeakPolarHBondContact CB-OD1 3.36Å; E136-D152 PolarHBondContact N-OD1 2.91Å; E136-D152 CarbonylContact O-C 3.58Å; E136-D152 WeakPolarHBondContact O-CA 3.4Å | ||
| 153 | I | 98.6 | Very high | 98.3 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 5% | 0.051 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -106.9 | 122.3 | 176.6 | -58.4 | -53.9 | 0 | 0 | 0 | 108.9 | E136 I137 G138 I143 V149 A157 A159 V166 | E136-I153 PolarHBondContact O-N 3.05Å; I137-I153 HydrophobicContact CD1-CB 4.06Å; I137-I153 HydrophobicContact CD1-CG1 3.74Å; G138-I153 WeakPolarHBondContact CA-O 3.23Å; G138-I153 PolarHBondContact N-O 2.91Å; I143-I153 HydrophobicContact CD1-CB 4.38Å; I143-I153 HydrophobicContact CD1-CG1 3.92Å; I143-I153 HydrophobicContact CD1-CG2 4.14Å; V149-I153 HydrophobicContact CG1-CD1 3.87Å; V149-I153 HydrophobicContact CG1-CG1 3.62Å; I153-A157 HydrophobicContact CG2-CB 3.79Å; I153-A159 HydrophobicContact CD1-CB 3.57Å; I153-A159 HydrophobicContact CG1-CB 4.07Å; I153-A159 HydrophobicContact CG2-CB 4.18Å; I153-V166 HydrophobicContact CD1-CG2 4.38Å |
| 154 | P | 98.3 | Very high | 98.3 | Very high | 65 Ų | 65 | 49.5 Ų | 49.5 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | trans | -59.7 | 159.8 | 177.9 | -24 | 33.5 | 0 | 0 | 0 | 113.3 | A157 L169 | P154-A157 HydrophobicContact CB-CB 4.27Å; P154-A157 WeakPolarHBondContact O-CB 3.37Å; P154-A157 PolarHBondContact O-N 2.8Å; P154-L169 HydrophobicContact CB-CD1 4.01Å | ||
| 155 | A | 98.5 | Very high | 98.2 | Very high | 44 Ų | 44 | 55 Ų | 55 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 146.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A139 A157 | A139-A155 CarbonylContact O-C 3.55Å; A139-A155 VanDerWaalsContact O-CA 3.29Å; A139-A155 WeakPolarHBondContact O-CA 3.2Å; A139-A155 WeakPolarHBondContact O-CB 3.19Å; A155-A157 PolarHBondContact O-N 2.8Å |
| 156 | D | 98 | Very high | 98.2 | Very high | 83 Ų | 83 | 53 Ų | 53 | 44% | 0.444 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 22.2 | -178.5 | -57.6 | -49.9 | 0 | 0 | 0 | 114.9 | A139 H170 | A139-D156 PolarHBondContact O-N 2.65Å; D156-H170 WeakPolarHBondContact CB-ND1 3.45Å; D156-H170 PolarHBondContact O-N 3.36Å; D156-H170 IonicContact OD2-CE1 2.81Å; D156-H170 IonicContact OD2-ND1 3.31Å |
| 157 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 154.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S141 K142 I153 P154 A155 V166 R168 L169 | S141-A157 CarbonylContact C-O 3.12Å; S141-A157 WeakPolarHBondContact CA-O 3.29Å; S141-A157 WeakPolarHBondContact CB-O 3.18Å; K142-A157 PolarHBondContact N-O 3.19Å; I153-A157 HydrophobicContact CG2-CB 3.79Å; P154-A157 HydrophobicContact CB-CB 4.27Å; P154-A157 WeakPolarHBondContact O-CB 3.37Å; P154-A157 PolarHBondContact O-N 2.8Å; A155-A157 PolarHBondContact O-N 2.8Å; A157-V166 HydrophobicContact CB-CG1 4.06Å; A157-V166 HydrophobicContact CB-CG2 4.45Å; A157-R168 CarbonylContact C-O 3.55Å; A157-R168 VanDerWaalsContact CA-O 3.27Å; A157-R168 WeakPolarHBondContact CA-O 3.27Å; A157-L169 HydrophobicContact CB-CD1 3.93Å |
| 158 | T | 98.5 | Very high | 97.9 | Very high | 39 Ų | 39 | 59.5 Ų | 59.5 | 24% | 0.239 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 118 | 165.5 | -56 | 0 | 0 | 0 | 0 | 108.7 | K142 V160 V166 A167 R168 | K142-T158 HydrophobicContact CB-CG2 4.21Å; K142-T158 CarbonylContact O-C 3.48Å; K142-T158 VanDerWaalsContact O-CA 3.23Å; K142-T158 WeakPolarHBondContact O-CA 3.2Å; T158-V160 HydrophobicContact CG2-CG1 4.3Å; T158-V166 CarbonylContact O-C 3.51Å; T158-A167 PolarHBondContact O-N 2.78Å; T158-R168 PolarHBondContact N-O 3.01Å; T158-R168 PolarHBondContact O-N 2.99Å |
| 159 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K142 I143 G144 I153 A164 K165 | K142-A159 PolarHBondContact O-N 2.88Å; I143-A159 HydrophobicContact CD1-CB 3.91Å; G144-A159 PolarHBondContact N-O 2.96Å; I153-A159 HydrophobicContact CD1-CB 3.57Å; I153-A159 HydrophobicContact CG1-CB 4.07Å; I153-A159 HydrophobicContact CG2-CB 4.18Å; A159-A164 HydrophobicContact CB-CB 4.39Å; A159-K165 VanDerWaalsContact CA-O 3.29Å; A159-K165 WeakPolarHBondContact CA-O 3.29Å |
| 160 | V | 98.2 | Very high | 97.4 | Very high | 66 Ų | 66 | 66.8 Ų | 66.8 | 40% | 0.4 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 156.5 | -177.1 | -55.9 | 0 | 0 | 0 | 0 | 111 | T158 A164 K165 A167 | T158-V160 HydrophobicContact CG2-CG1 4.3Å; V160-A164 WeakPolarHBondContact O-CA 3.35Å; V160-K165 PolarHBondContact N-O 3.24Å; V160-K165 PolarHBondContact O-N 3Å; V160-A167 HydrophobicContact CG2-CB 3.92Å |
| 161 | G | 97.9 | Very high | 96.9 | Very high | 36 Ų | 36 | 65.5 Ų | 65.5 | 37% | 0.371 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 101.7 | -178.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A147 V148 P163 A164 | A147-G161 VanDerWaalsContact CA-O 3.26Å; A147-G161 WeakPolarHBondContact CA-O 3.43Å; V148-G161 PolarHBondContact N-O 3.48Å; G161-P163 VanDerWaalsContact C-C 3.46Å; G161-P163 CarbonylContact C-O 3.54Å; G161-P163 CarbonylContact O-C 3.53Å; G161-A164 WeakPolarHBondContact O-CA 3.48Å; G161-A164 PolarHBondContact O-N 3.09Å |
| 162 | V | 98.2 | Very high | 96.6 | Very high | 108 Ų | 108 | 66.1 Ų | 66.1 | 66% | 0.655 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | 104.1 | -179.8 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | V148 | V148-V162 HydrophobicContact CB-CG1 4.06Å; V148-V162 HydrophobicContact CB-CG2 4.29Å; V148-V162 HydrophobicContact CG2-CB 4.41Å; V148-V162 HydrophobicContact CG2-CG1 3.87Å; V148-V162 HydrophobicContact CG2-CG2 3.87Å |
| 163 | P | 97 | Very high | 96.2 | Very high | 79 Ų | 79 | 69.9 Ų | 69.9 | 51% | 0.513 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -64.8 | 155 | -10.2 | 31 | -35.8 | 0 | 0 | 0 | 111.8 | L150 G161 K165 | L150-P163 HydrophobicContact CD1-CB 4.32Å; G161-P163 VanDerWaalsContact C-C 3.46Å; G161-P163 CarbonylContact C-O 3.54Å; G161-P163 CarbonylContact O-C 3.53Å; P163-K165 PolarHBondContact O-N 3.04Å |
| 164 | A | 97.9 | Very high | 95.7 | Very high | 17 Ų | 17 | 71.6 Ų | 71.6 | 14% | 0.14 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 131.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A147 V148 V149 A159 V160 G161 | A147-A164 HydrophobicContact CB-CB 4.15Å; V148-A164 WeakPolarHBondContact O-CB 3.33Å; V148-A164 PolarHBondContact O-N 3.18Å; V149-A164 HydrophobicContact CB-CB 4.34Å; V149-A164 HydrophobicContact CG2-CB 3.81Å; A159-A164 HydrophobicContact CB-CB 4.39Å; V160-A164 WeakPolarHBondContact O-CA 3.35Å; G161-A164 WeakPolarHBondContact O-CA 3.48Å; G161-A164 PolarHBondContact O-N 3.09Å |
| 165 | K | 97.1 | Very high | 94.8 | Very high | 129 Ų | 129 | 76.8 Ų | 76.8 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 148.6 | 172.1 | -66.1 | -173.5 | 177.3 | -172.8 | 0 | 110 | A159 V160 P163 A167 | A159-K165 VanDerWaalsContact CA-O 3.29Å; A159-K165 WeakPolarHBondContact CA-O 3.29Å; V160-K165 PolarHBondContact N-O 3.24Å; V160-K165 PolarHBondContact O-N 3Å; P163-K165 PolarHBondContact O-N 3.04Å; K165-A167 PolarHBondContact O-N 2.78Å; K165-A167 VanDerWaalsContact O-N 3.09Å |
| 166 | V | 97.1 | Very high | 93.6 | Very high | 32 Ų | 32 | 79.8 Ų | 79.8 | 19% | 0.194 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 110.2 | 173.1 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | I153 A157 T158 R168 L169 V174 H176 | I153-V166 HydrophobicContact CD1-CG2 4.38Å; A157-V166 HydrophobicContact CB-CG1 4.06Å; A157-V166 HydrophobicContact CB-CG2 4.45Å; T158-V166 CarbonylContact O-C 3.51Å; V166-R168 VanDerWaalsContact CG1-O 3.27Å; V166-R168 WeakPolarHBondContact CG1-O 3.27Å; V166-L169 HydrophobicContact CG1-CB 4.49Å; V166-V174 HydrophobicContact CG1-CG2 3.94Å; V166-H176 PolarHBondContact O-CE1 2.94Å; V166-H176 PolarHBondContact O-NE2 3.18Å |
| 167 | A | 95.8 | Very high | 91.8 | Very high | 32 Ų | 32 | 86.6 Ų | 86.6 | 26% | 0.264 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -28.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T158 V160 K165 V174 | T158-A167 PolarHBondContact O-N 2.78Å; V160-A167 HydrophobicContact CG2-CB 3.92Å; K165-A167 PolarHBondContact O-N 2.78Å; K165-A167 VanDerWaalsContact O-N 3.09Å; A167-V174 PolarHBondContact O-N 2.85Å |
| 168 | R | 95.4 | Very high | 91.5 | Very high | 140 Ų | 140 | 91 Ų | 91 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 147.6 | 175.2 | -58.7 | -176.2 | 179.2 | -166.5 | 0.1 | 111.2 | A157 T158 V166 K172 | A157-R168 CarbonylContact C-O 3.55Å; A157-R168 VanDerWaalsContact CA-O 3.27Å; A157-R168 WeakPolarHBondContact CA-O 3.27Å; T158-R168 PolarHBondContact N-O 3.01Å; T158-R168 PolarHBondContact O-N 2.99Å; V166-R168 VanDerWaalsContact CG1-O 3.27Å; V166-R168 WeakPolarHBondContact CG1-O 3.27Å; R168-K172 CarbonylContact C-O 3.45Å; R168-K172 WeakPolarHBondContact CA-O 3.4Å; R168-K172 WeakPolarHBondContact CB-O 3.1Å |
| 169 | L | 94.8 | Very high | 91.2 | Very high | 64 Ų | 64 | 93.7 Ų | 93.7 | 34% | 0.335 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 125.7 | 172.9 | -173.9 | 66 | 0 | 0 | 0 | 108.6 | P154 A157 V166 G171 K172 V174 | P154-L169 HydrophobicContact CB-CD1 4.01Å; A157-L169 HydrophobicContact CB-CD1 3.93Å; V166-L169 HydrophobicContact CG1-CB 4.49Å; L169-G171 PolarHBondContact O-N 2.8Å; L169-K172 PolarHBondContact N-O 3.45Å; L169-K172 PolarHBondContact O-N 3.48Å; L169-V174 HydrophobicContact CB-CG2 3.89Å |
| 170 | H | 93.8 | Very high | 90.8 | Very high | 123 Ų | 123 | 98.9 Ų | 98.9 | 57% | 0.569 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 41.8 | -173.4 | -54.4 | -66.4 | 0 | 0 | 0 | 112.9 | D156 K172 | D156-H170 WeakPolarHBondContact CB-ND1 3.45Å; D156-H170 PolarHBondContact O-N 3.36Å; D156-H170 IonicContact OD2-CE1 2.81Å; D156-H170 IonicContact OD2-ND1 3.31Å; H170-K172 PolarHBondContact O-N 3.06Å; H170-K172 VanDerWaalsContact O-N 3.15Å |
| 171 | G | 86.5 | Confident | 90.3 | Very high | 58 Ų | 58 | 100.8 Ų | 100.8 | 60% | 0.598 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | -7.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L169 | L169-G171 PolarHBondContact O-N 2.8Š|
| 172 | K | 91.1 | Very high | 89.8 | Confident | 163 Ų | 163 | 104.9 Ų | 104.9 | 71% | 0.709 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 140.2 | 177.4 | -61.5 | -176.2 | -178.3 | 178.6 | 0 | 110.8 | R168 L169 H170 V174 | R168-K172 CarbonylContact C-O 3.45Å; R168-K172 WeakPolarHBondContact CA-O 3.4Å; R168-K172 WeakPolarHBondContact CB-O 3.1Å; L169-K172 PolarHBondContact N-O 3.45Å; L169-K172 PolarHBondContact O-N 3.48Å; H170-K172 PolarHBondContact O-N 3.06Å; H170-K172 VanDerWaalsContact O-N 3.15Å; K172-V174 PolarHBondContact O-N 3.15Å |
| 173 | K | 90.3 | Very high | 89.3 | Confident | 180 Ų | 180 | 104.7 Ų | 104.7 | 78% | 0.783 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 131 | 174.9 | -171.1 | 177.6 | 179.3 | -175.1 | 0 | 109.4 | ||
| 174 | V | 89.3 | Confident | 88.7 | Confident | 46 Ų | 46 | 106.5 Ų | 106.5 | 28% | 0.279 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 128.7 | 170.4 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | V166 A167 L169 K172 | V166-V174 HydrophobicContact CG1-CG2 3.94Å; A167-V174 PolarHBondContact O-N 2.85Å; L169-V174 HydrophobicContact CB-CG2 3.89Å; K172-V174 PolarHBondContact O-N 3.15Å |
| 175 | Q | 79.1 | Confident | 88 | Confident | 173 Ų | 173 | 113.4 Ų | 113.4 | 81% | 0.808 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 124.7 | 168.7 | -72.3 | -177.5 | 7.3 | 0 | 0 | 107.6 | ||
| 176 | H | 72.3 | Confident | 87.3 | Confident | 108 Ų | 108 | 112.1 Ų | 112.1 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -99.8 | 123.1 | 164.3 | -68.1 | -86.4 | 0 | 0 | 0 | 105.1 | V166 | V166-H176 PolarHBondContact O-CE1 2.94Å; V166-H176 PolarHBondContact O-NE2 3.18Å |
| 177 | D | 61.7 | Low | 86.4 | Confident | 226 Ų | 226 | 119.4 Ų | 119.4 | 100% | 1.209 | 60% | 0.598 | S | S | * | * | trans | -68.9 | 0 | 173 | -62 | -31 | 0 | 0 | 0 | 111.4 |
Retrieved 177 of 177 residues in 183.9 ms
(Link to these results)