| 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 | 21.5 | Very low | 27 | Very low | 232 Ų | 232 | 131.5 Ų | 131.5 | 100% | 1.143 | 75% | 0.746 | S | S | * | * | 0 | 125.8 | 0 | -76.2 | 167.4 | 172.6 | 0 | 0 | 106.8 | |||||
| 2 | G | 24.3 | Very low | 27.1 | Very low | 70 Ų | 70 | 124.6 Ų | 124.6 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | -67.4 | 140.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111 | D4 | G2-D4 PolarHBondContact O-N 3.17Š| ||
| 3 | W | 26.1 | Very low | 26.9 | Very low | 165 Ų | 165 | 128.2 Ų | 128.2 | 63% | 0.625 | 71% | 0.714 | S | S | * | * | trans | -80.3 | 46.5 | -172.7 | -69.1 | 56.3 | 0 | 0 | 0 | 111.9 | G5 T35 L39 L97 | W3-G5 PolarHBondContact O-N 2.86Å; W3-T35 HydrophobicContact CH2-CG2 4.47Å; W3-L39 HydrophobicContact CE3-CD2 4.36Å; W3-L39 HydrophobicContact CH2-CD2 4.35Å; W3-L39 HydrophobicContact CZ3-CD2 3.87Å; W3-L97 HydrophobicContact CH2-CD1 3.97Å | ||
| 4 | D | 23.4 | Very low | 27.1 | Very low | 172 Ų | 172 | 123.8 Ų | 123.8 | 92% | 0.92 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 84.7 | 176.2 | -81.3 | -27.7 | 0 | 0 | 0 | 109 | G2 | G2-D4 PolarHBondContact O-N 3.17Š|
| 5 | G | 25.9 | Very low | 27.9 | Very low | 67 Ų | 67 | 117.6 Ų | 117.6 | 69% | 0.691 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -179.6 | -22.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | W3 N7 | W3-G5 PolarHBondContact O-N 2.86Å; G5-N7 PolarHBondContact O-N 3.06Å |
| 6 | V | 28.9 | Very low | 28.2 | Very low | 97 Ų | 97 | 114 Ų | 114 | 59% | 0.588 | 63% | 0.633 | S | S | * | * | trans | -85.8 | 64.2 | 178.2 | -164.2 | 0 | 0 | 0 | 0 | 109.8 | D8 I11 | V6-D8 PolarHBondContact O-N 2.93Å; V6-I11 HydrophobicContact CG1-CD1 4.4Å | ||
| 7 | N | 28.2 | Very low | 28.7 | Very low | 154 Ų | 154 | 107.8 Ų | 107.8 | 82% | 0.824 | 60% | 0.6 | S | S | * | * | trans | -78.6 | 91.1 | 164.8 | -95.3 | -19.4 | 0 | 0 | 0 | 108 | G5 | G5-N7 PolarHBondContact O-N 3.06Š| ||
| 8 | D | 29.5 | Very low | 29 | Very low | 124 Ų | 124 | 103.4 Ų | 103.4 | 66% | 0.663 | 58% | 0.576 | S | S | * | * | trans | -166.1 | 120.8 | 140.2 | -102.8 | -28.7 | 0 | 0 | 0 | 113 | V6 N10 I11 | V6-D8 PolarHBondContact O-N 2.93Å; D8-N10 VanDerWaalsContact C-N 3.26Å; D8-N10 PolarHBondContact O-N 2.88Å; D8-I11 HydrophobicContact CB-CD1 4.27Å | ||
| 9 | T | 30.9 | Very low | 29.2 | Very low | 132 Ų | 132 | 100.6 Ų | 100.6 | 81% | 0.81 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 24.2 | -160 | 36.3 | 0 | 0 | 0 | 0 | 116.8 | ||
| 10 | N | 29.7 | Very low | 29.4 | Very low | 145 Ų | 145 | 100.7 Ų | 100.7 | 78% | 0.775 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.2 | 18.6 | -176.1 | -82.7 | -60.1 | 0 | 0 | 0 | 116.1 | D8 C12 | D8-N10 VanDerWaalsContact C-N 3.26Å; D8-N10 PolarHBondContact O-N 2.88Å; N10-C12 PolarHBondContact O-N 2.86Å |
| 11 | I | 28.6 | Very low | 29.5 | Very low | 88 Ų | 88 | 97.7 Ų | 97.7 | 45% | 0.451 | 53% | 0.533 | S | S | . | . | trans | -79.5 | -11.3 | -166.5 | -71.2 | 170.3 | 0 | 0 | 0 | 114.6 | V6 D8 W15 | V6-I11 HydrophobicContact CG1-CD1 4.4Å; D8-I11 HydrophobicContact CB-CD1 4.27Å; I11-W15 HydrophobicContact CG2-CH2 4.44Å; I11-W15 HydrophobicContact CG2-CZ2 3.77Å; I11-W15 PolarHBondContact O-NE1 3.45Å | ||
| 12 | C | 27.8 | Very low | 30 | Very low | 49 Ų | 49 | 90 Ų | 90 | 33% | 0.331 | 50% | 0.5 | S | S | . | . | trans | -123.6 | 47.5 | -165.9 | -57.7 | 0 | 0 | 0 | 0 | 118.2 | N10 T14 N41 | N10-C12 PolarHBondContact O-N 2.86Å; C12-T14 PolarHBondContact O-N 3.29Å; C12-N41 HydrophobicContact CB-CB 4.28Å | ||
| 13 | K | 25.1 | Very low | 30.5 | Very low | 171 Ų | 171 | 90.8 Ų | 90.8 | 74% | 0.743 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -83.6 | 93.8 | 157.7 | -73.6 | -173.3 | 179.4 | 179.7 | 0 | 109.7 | ||
| 14 | T | 30 | Very low | 30.9 | Very low | 67 Ų | 67 | 89.8 Ų | 89.8 | 41% | 0.411 | 50% | 0.498 | S | S | . | . | trans | 67.4 | 113.4 | 162.3 | -29.1 | 0 | 0 | 0 | 0 | 117.2 | C12 L45 | C12-T14 PolarHBondContact O-N 3.29Å; T14-L45 HydrophobicContact CG2-CD1 4.15Å | ||
| 15 | W | 38.3 | Very low | 31.6 | Very low | 31 Ų | 31 | 85.9 Ų | 85.9 | 12% | 0.117 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 139.4 | -168.5 | -72.6 | 41.1 | 0 | 0 | 0 | 111.6 | I11 L45 I67 I88 | I11-W15 HydrophobicContact CG2-CH2 4.44Å; I11-W15 HydrophobicContact CG2-CZ2 3.77Å; I11-W15 PolarHBondContact O-NE1 3.45Å; W15-L45 WeakPolarHBondContact O-CB 3.04Å; W15-L45 WeakPolarHBondContact O-CG 3.33Å; W15-L45 PolarHBondContact O-N 2.78Å; W15-L45 VanDerWaalsContact O-N 3.08Å; W15-I67 HydrophobicContact CD2-CG2 3.82Å; W15-I67 HydrophobicContact CE3-CB 4.19Å; W15-I67 HydrophobicContact CE3-CG2 2.95Å; W15-I67 HydrophobicContact CH2-CG2 4.08Å; W15-I67 HydrophobicContact CZ3-CB 3.88Å; W15-I67 HydrophobicContact CZ3-CD1 4.04Å; W15-I67 HydrophobicContact CZ3-CG2 3.09Å; W15-I88 HydrophobicContact CH2-CD1 4.29Å |
| 16 | L | 33.2 | Very low | 32.3 | Very low | 60 Ų | 60 | 86.4 Ų | 86.4 | 31% | 0.314 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 100.9 | 176.7 | -159.7 | 107.6 | 0 | 0 | 0 | 108.3 | V18 L45 Y111 | L16-V18 HydrophobicContact CD2-CG2 3.33Å; L16-V18 HydrophobicContact CG-CG2 3.91Å; L16-L45 HydrophobicContact CD1-CB 3.91Å; L16-L45 HydrophobicContact CD1-CD1 3.82Å; L16-L45 HydrophobicContact CG-CB 4.4Å; L16-Y111 HydrophobicContact CD2-CD1 4.27Å; L16-Y111 HydrophobicContact CD2-CE1 3.49Å; L16-Y111 VanDerWaalsContact CD2-CE1 3.49Å |
| 17 | A | 36.8 | Very low | 32.9 | Very low | 8 Ų | 8 | 87.7 Ų | 87.7 | 7% | 0.066 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 124.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | M44 L45 P47 V65 | A17-M44 HydrophobicContact CB-CG 3.68Å; A17-M44 HydrophobicContact CB-SD 3.81Å; A17-L45 PolarHBondContact N-O 2.78Å; A17-P47 WeakPolarHBondContact O-CD 3.31Å; A17-P47 VanDerWaalsContact O-CG 3.23Å; A17-P47 WeakPolarHBondContact O-CG 3.48Å; A17-V65 HydrophobicContact CB-CG1 4.15Å |
| 18 | V | 33.4 | Very low | 33.5 | Very low | 29 Ų | 29 | 82 Ų | 82 | 18% | 0.176 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 113.4 | 179.7 | -175.1 | 0 | 0 | 0 | 0 | 109 | L16 P47 Y111 | L16-V18 HydrophobicContact CD2-CG2 3.33Å; L16-V18 HydrophobicContact CG-CG2 3.91Å; V18-P47 HydrophobicContact CB-CB 4.29Å; V18-P47 HydrophobicContact CG1-CB 4.06Å; V18-P47 HydrophobicContact CG2-CB 4.25Å; V18-Y111 WeakPolarHBondContact CB-OH 3.03Å; V18-Y111 WeakPolarHBondContact CG1-OH 3.4Å; V18-Y111 HydrophobicContact CG2-CE1 4.14Å; V18-Y111 WeakPolarHBondContact CG2-OH 3.19Å |
| 19 | N | 33.7 | Very low | 34.1 | Very low | 51 Ų | 51 | 77.9 Ų | 77.9 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | trans | -157.7 | 162.9 | 136.3 | -108.5 | -33.8 | 0 | 0 | 0 | 111.9 | Y21 V62 G64 V65 | N19-Y21 WeakPolarHBondContact O-CD2 3.28Å; N19-Y21 WeakPolarHBondContact O-CE2 3.49Å; N19-Y21 PolarHBondContact O-N 3.19Å; N19-V62 HydrophobicContact CB-CG1 3.81Å; N19-G64 WeakPolarHBondContact CB-O 2.98Å; N19-G64 PolarHBondContact ND2-O 2.88Å; N19-V65 HydrophobicContact CB-CG2 4.46Å | ||
| 20 | Y | 32.9 | Very low | 34.8 | Very low | 101 Ų | 101 | 74.5 Ų | 74.5 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | trans | -69.3 | 118.7 | -179.1 | -70.8 | -120.9 | 0 | 0 | 0 | 108.5 | V50 | Y20-V50 HydrophobicContact CD1-CB 3.58Å; Y20-V50 HydrophobicContact CD1-CG1 4.5Å; Y20-V50 HydrophobicContact CD1-CG2 3.63Å; Y20-V50 HydrophobicContact CE1-CB 3.23Å; Y20-V50 HydrophobicContact CE1-CG1 3.84Å; Y20-V50 HydrophobicContact CE1-CG2 3Å; Y20-V50 VanDerWaalsContact CZ-CG2 3.49Å | ||
| 21 | Y | 31.3 | Very low | 35.6 | Very low | 39 Ų | 39 | 74.8 Ų | 74.8 | 15% | 0.153 | 38% | 0.382 | C | S | . | . | trans | -106.4 | 133.1 | 173.8 | -58.4 | -91.8 | 0 | 0 | 0 | 109.5 | N19 L29 V65 M92 | N19-Y21 WeakPolarHBondContact O-CD2 3.28Å; N19-Y21 WeakPolarHBondContact O-CE2 3.49Å; N19-Y21 PolarHBondContact O-N 3.19Å; Y21-L29 HydrophobicContact CE2-CD1 3.81Å; Y21-V65 HydrophobicContact CE1-CG2 3.97Å; Y21-V65 WeakPolarHBondContact OH-CG2 3.28Å; Y21-M92 HydrophobicContact CD1-CE 3.55Å; Y21-M92 HydrophobicContact CD1-SD 4.48Å; Y21-M92 HydrophobicContact CE1-CE 3.29Å; Y21-M92 HydrophobicContact CE1-SD 3.68Å | ||
| 22 | P | 32 | Very low | 36.2 | Very low | 70 Ų | 70 | 71 Ų | 71 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | trans | -58.7 | 140.8 | 156.8 | 4 | 6.3 | 0 | 0 | 0 | 108.2 | D24 E25 | P22-D24 PolarHBondContact O-N 3.12Å; P22-E25 PolarHBondContact O-N 2.86Å | ||
| 23 | T | 34.8 | Very low | 37.1 | Very low | 87 Ų | 87 | 69.7 Ų | 69.7 | 53% | 0.534 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -11.6 | -176.7 | 41.7 | 0 | 0 | 0 | 0 | 114.9 | I26 | T23-I26 WeakPolarHBondContact O-CD1 3.44Å; T23-I26 VanDerWaalsContact O-CG1 3.27Å; T23-I26 WeakPolarHBondContact O-CG1 3.23Å |
| 24 | D | 34.7 | Very low | 38 | Very low | 143 Ų | 143 | 63.9 Ų | 63.9 | 77% | 0.765 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -7.1 | -166.5 | -46.5 | -14 | 0 | 0 | 0 | 111.9 | P22 | P22-D24 PolarHBondContact O-N 3.12Š|
| 25 | E | 38.1 | Very low | 38.7 | Very low | 90 Ų | 90 | 63.4 Ų | 63.4 | 42% | 0.421 | 34% | 0.335 | S | S | . | . | trans | -111.2 | 32.7 | 177.3 | -69.5 | -171.2 | 169.3 | 0 | 0 | 113 | P22 D27 I28 | P22-E25 PolarHBondContact O-N 2.86Å; E25-D27 PolarHBondContact O-N 2.87Å; E25-D27 VanDerWaalsContact O-N 3.11Å; E25-I28 HydrophobicContact CB-CD1 3.97Å; E25-I28 HydrophobicContact CB-CG1 4.33Å; E25-I28 HydrophobicContact CG-CD1 4.12Å; E25-I28 PolarHBondContact O-N 2.79Å; E25-I28 WeakPolarHBondContact OE2-CD1 3.44Å | ||
| 26 | I | 41.6 | Very low | 38.9 | Very low | 79 Ų | 79 | 62.8 Ų | 62.8 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -51.1 | -34 | 176.3 | -70.4 | 164.9 | 0 | 0 | 0 | 112 | T23 I28 L29 D30 | T23-I26 WeakPolarHBondContact O-CD1 3.44Å; T23-I26 VanDerWaalsContact O-CG1 3.27Å; T23-I26 WeakPolarHBondContact O-CG1 3.23Å; I26-I28 VanDerWaalsContact C-N 3.26Å; I26-I28 PolarHBondContact O-N 3.27Å; I26-L29 WeakPolarHBondContact O-CB 3.38Å; I26-L29 PolarHBondContact O-N 3.29Å; I26-L29 VanDerWaalsContact O-N 3.17Å; I26-D30 PolarHBondContact O-N 2.85Å |
| 27 | D | 40.2 | Very low | 39.5 | Very low | 124 Ų | 124 | 64 Ų | 64 | 66% | 0.663 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.5 | -32.4 | 179.3 | -70.8 | -12.7 | 0 | 0 | 0 | 113.3 | E25 K31 | E25-D27 PolarHBondContact O-N 2.87Å; E25-D27 VanDerWaalsContact O-N 3.11Å; D27-K31 WeakPolarHBondContact O-CG 3.33Å; D27-K31 PolarHBondContact O-N 3.03Å |
| 28 | I | 40.3 | Very low | 39.8 | Very low | 35 Ų | 35 | 70.4 Ų | 70.4 | 18% | 0.179 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -76.2 | -38 | 179.6 | -53.1 | 177.5 | 0 | 0 | 0 | 109.9 | E25 I26 K31 A32 M90 M92 | E25-I28 HydrophobicContact CB-CD1 3.97Å; E25-I28 HydrophobicContact CB-CG1 4.33Å; E25-I28 HydrophobicContact CG-CD1 4.12Å; E25-I28 PolarHBondContact O-N 2.79Å; E25-I28 WeakPolarHBondContact OE2-CD1 3.44Å; I26-I28 VanDerWaalsContact C-N 3.26Å; I26-I28 PolarHBondContact O-N 3.27Å; I28-K31 PolarHBondContact O-N 3.48Å; I28-A32 PolarHBondContact O-N 3.49Å; I28-M90 HydrophobicContact CG2-CE 4.39Å; I28-M92 HydrophobicContact CB-CE 3.91Å; I28-M92 HydrophobicContact CD1-CE 4.04Å; I28-M92 HydrophobicContact CG2-CE 3.41Å; I28-M92 VanDerWaalsContact CG2-CE 3.41Å; I28-M92 HydrophobicContact CG2-SD 3.76Å |
| 29 | L | 43.4 | Very low | 40 | Very low | 36 Ų | 36 | 71.7 Ų | 71.7 | 19% | 0.188 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 172.2 | 179.5 | 61.6 | 0 | 0 | 0 | 111 | Y21 I26 K31 A32 I33 M44 | Y21-L29 HydrophobicContact CE2-CD1 3.81Å; I26-L29 WeakPolarHBondContact O-CB 3.38Å; I26-L29 PolarHBondContact O-N 3.29Å; I26-L29 VanDerWaalsContact O-N 3.17Å; L29-K31 VanDerWaalsContact C-N 3.34Å; L29-K31 PolarHBondContact O-N 3.45Å; L29-A32 WeakPolarHBondContact O-CB 2.98Å; L29-A32 PolarHBondContact O-N 3.22Å; L29-I33 HydrophobicContact CD1-CD1 4.34Å; L29-I33 HydrophobicContact CD1-CG1 4.48Å; L29-I33 HydrophobicContact CG-CD1 3.94Å; L29-I33 WeakPolarHBondContact O-CD1 3.43Å; L29-I33 VanDerWaalsContact O-CG1 3.23Å; L29-I33 WeakPolarHBondContact O-CG1 3.41Å; L29-I33 PolarHBondContact O-N 2.89Å; L29-M44 HydrophobicContact CD1-CE 4.24Å |
| 30 | D | 45.5 | Very low | 40.1 | Very low | 62 Ų | 62 | 75.1 Ų | 75.1 | 33% | 0.332 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 176.4 | -88.5 | -11.2 | 0 | 0 | 0 | 112.1 | I26 I33 A34 | I26-D30 PolarHBondContact O-N 2.85Å; D30-I33 PolarHBondContact O-N 3.49Å; D30-A34 WeakPolarHBondContact O-CB 3.16Å; D30-A34 PolarHBondContact O-N 2.93Å |
| 31 | K | 45.1 | Very low | 40.3 | Very low | 150 Ų | 150 | 76.6 Ų | 76.6 | 65% | 0.652 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.4 | -42.2 | 172.3 | -79.5 | 178.2 | -179.5 | 176.1 | 0 | 112.6 | D27 I28 L29 I33 A34 T35 | D27-K31 WeakPolarHBondContact O-CG 3.33Å; D27-K31 PolarHBondContact O-N 3.03Å; I28-K31 PolarHBondContact O-N 3.48Å; L29-K31 VanDerWaalsContact C-N 3.34Å; L29-K31 PolarHBondContact O-N 3.45Å; K31-I33 VanDerWaalsContact C-N 3.32Å; K31-A34 PolarHBondContact O-N 2.04Å; K31-T35 WeakPolarHBondContact O-CB 3.03Å; K31-T35 PolarHBondContact O-N 3.32Å; K31-T35 PolarHBondContact O-OG1 3.32Å |
| 32 | A | 42.7 | Very low | 40.4 | Very low | 9 Ų | 9 | 75.7 Ų | 75.7 | 7% | 0.074 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I28 L29 C36 M90 | I28-A32 PolarHBondContact O-N 3.49Å; L29-A32 WeakPolarHBondContact O-CB 2.98Å; L29-A32 PolarHBondContact O-N 3.22Å; A32-C36 PolarHBondContact O-N 2.99Å; A32-C36 PolarHBondContact O-SG 3.47Å; A32-M90 HydrophobicContact CB-CE 3.69Å; A32-M90 HydrophobicContact CB-SD 4.17Å |
| 33 | I | 45.7 | Very low | 40.4 | Very low | 21 Ų | 21 | 79.6 Ų | 79.6 | 11% | 0.108 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.3 | -54.1 | 176.2 | -69 | 161.9 | 0 | 0 | 0 | 110.4 | L29 D30 K31 T35 C36 D37 M44 | L29-I33 HydrophobicContact CD1-CD1 4.34Å; L29-I33 HydrophobicContact CD1-CG1 4.48Å; L29-I33 HydrophobicContact CG-CD1 3.94Å; L29-I33 WeakPolarHBondContact O-CD1 3.43Å; L29-I33 VanDerWaalsContact O-CG1 3.23Å; L29-I33 WeakPolarHBondContact O-CG1 3.41Å; L29-I33 PolarHBondContact O-N 2.89Å; D30-I33 PolarHBondContact O-N 3.49Å; K31-I33 VanDerWaalsContact C-N 3.32Å; I33-T35 VanDerWaalsContact C-N 3.3Å; I33-T35 PolarHBondContact O-N 3.32Å; I33-C36 WeakPolarHBondContact O-CA 3.45Å; I33-C36 WeakPolarHBondContact O-CB 3.4Å; I33-C36 PolarHBondContact O-N 3.23Å; I33-D37 PolarHBondContact O-N 2.93Å; I33-M44 HydrophobicContact CB-CE 4.45Å; I33-M44 HydrophobicContact CD1-CE 4.12Å; I33-M44 HydrophobicContact CG1-CE 3.29Å; I33-M44 HydrophobicContact CG1-SD 4.14Å |
| 34 | A | 44.9 | Very low | 40.3 | Very low | 50 Ų | 50 | 76.4 Ų | 76.4 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.6 | D30 K31 C36 D37 D38 | D30-A34 WeakPolarHBondContact O-CB 3.16Å; D30-A34 PolarHBondContact O-N 2.93Å; K31-A34 PolarHBondContact O-N 2.04Å; A34-C36 PolarHBondContact O-N 2.03Å; A34-D37 PolarHBondContact O-N 3.47Å; A34-D38 PolarHBondContact O-N 2.82Å; A34-D38 VanDerWaalsContact O-N 3.13Å |
| 35 | T | 43.7 | Very low | 40.2 | Very low | 56 Ų | 56 | 71.4 Ų | 71.4 | 34% | 0.344 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.8 | -33.6 | 176.3 | -52.8 | 0 | 0 | 0 | 0 | 112 | W3 K31 I33 | W3-T35 HydrophobicContact CH2-CG2 4.47Å; K31-T35 WeakPolarHBondContact O-CB 3.03Å; K31-T35 PolarHBondContact O-N 3.32Å; K31-T35 PolarHBondContact O-OG1 3.32Å; I33-T35 VanDerWaalsContact C-N 3.3Å; I33-T35 PolarHBondContact O-N 3.32Å |
| 36 | C | 42.8 | Very low | 40 | Very low | 19 Ų | 19 | 69.3 Ų | 69.3 | 13% | 0.128 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -77.7 | -38.8 | 177.9 | -70 | 0 | 0 | 0 | 0 | 113.3 | A32 I33 A34 D38 L39 M44 | A32-C36 PolarHBondContact O-N 2.99Å; A32-C36 PolarHBondContact O-SG 3.47Å; I33-C36 WeakPolarHBondContact O-CA 3.45Å; I33-C36 WeakPolarHBondContact O-CB 3.4Å; I33-C36 PolarHBondContact O-N 3.23Å; A34-C36 PolarHBondContact O-N 2.03Å; C36-D38 VanDerWaalsContact C-N 3.32Å; C36-L39 WeakPolarHBondContact O-CB 3.43Å; C36-L39 PolarHBondContact O-N 3.41Å; C36-M44 HydrophobicContact CB-CB 4.37Å |
| 37 | D | 45 | Very low | 39.7 | Very low | 86 Ų | 86 | 67.1 Ų | 67.1 | 46% | 0.46 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.6 | -29.4 | 179.9 | -78.4 | -15.3 | 0 | 0 | 0 | 112 | I33 A34 L39 | I33-D37 PolarHBondContact O-N 2.93Å; A34-D37 PolarHBondContact O-N 3.47Å; D37-L39 PolarHBondContact O-N 2.79Å |
| 38 | D | 44.5 | Very low | 39.3 | Very low | 141 Ų | 141 | 66.7 Ų | 66.7 | 75% | 0.754 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -12.8 | 175 | -77.4 | -18.2 | 0 | 0 | 0 | 113.4 | A34 C36 | A34-D38 PolarHBondContact O-N 2.82Å; A34-D38 VanDerWaalsContact O-N 3.13Å; C36-D38 VanDerWaalsContact C-N 3.32Å |
| 39 | L | 37.5 | Very low | 38.9 | Very low | 57 Ų | 57 | 68.3 Ų | 68.3 | 30% | 0.298 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -80.6 | 133.3 | 176 | -65.8 | 172.5 | 0 | 0 | 0 | 110.3 | W3 C36 D37 N41 G42 | W3-L39 HydrophobicContact CE3-CD2 4.36Å; W3-L39 HydrophobicContact CH2-CD2 4.35Å; W3-L39 HydrophobicContact CZ3-CD2 3.87Å; C36-L39 WeakPolarHBondContact O-CB 3.43Å; C36-L39 PolarHBondContact O-N 3.41Å; D37-L39 PolarHBondContact O-N 2.79Å; L39-N41 PolarHBondContact O-N 2.88Å; L39-G42 PolarHBondContact O-N 3.48Å |
| 40 | P | 35.6 | Very low | 38.3 | Very low | 123 Ų | 123 | 69.4 Ų | 69.4 | 80% | 0.799 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -20 | -168.4 | -16 | 14.7 | 0 | 0 | 0 | 116.2 | ||
| 41 | N | 36 | Very low | 37.6 | Very low | 132 Ų | 132 | 73.2 Ų | 73.2 | 71% | 0.706 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | 21.5 | -179.5 | -62.3 | -54.2 | 0 | 0 | 0 | 112.8 | C12 L39 | C12-N41 HydrophobicContact CB-CB 4.28Å; L39-N41 PolarHBondContact O-N 2.88Å |
| 42 | G | 33.7 | Very low | 36.8 | Very low | 19 Ų | 19 | 73.1 Ų | 73.1 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | trans | -76.6 | 128.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L39 | L39-G42 PolarHBondContact O-N 3.48Š| ||
| 43 | K | 31.8 | Very low | 36.3 | Very low | 152 Ų | 152 | 81.9 Ų | 81.9 | 66% | 0.661 | 44% | 0.439 | S | S | * | . | trans | -136.6 | 115.6 | 159.8 | -76.4 | -168.8 | 179 | -177.1 | 0 | 108.4 | ||||
| 44 | M | 34.5 | Very low | 35.9 | Very low | 21 Ų | 21 | 88.6 Ų | 88.6 | 10% | 0.103 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 129.4 | -179.7 | -160.8 | -177.4 | 82.4 | 0 | 0 | 111.1 | A17 L29 I33 C36 | A17-M44 HydrophobicContact CB-CG 3.68Å; A17-M44 HydrophobicContact CB-SD 3.81Å; L29-M44 HydrophobicContact CD1-CE 4.24Å; I33-M44 HydrophobicContact CB-CE 4.45Å; I33-M44 HydrophobicContact CD1-CE 4.12Å; I33-M44 HydrophobicContact CG1-CE 3.29Å; I33-M44 HydrophobicContact CG1-SD 4.14Å; C36-M44 HydrophobicContact CB-CB 4.37Å |
| 45 | L | 31.8 | Very low | 35.3 | Very low | 38 Ų | 38 | 91 Ų | 91 | 20% | 0.199 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 130.2 | 167.2 | -65.3 | 169 | 0 | 0 | 0 | 109.5 | T14 W15 L16 A17 M121 | T14-L45 HydrophobicContact CG2-CD1 4.15Å; W15-L45 WeakPolarHBondContact O-CB 3.04Å; W15-L45 WeakPolarHBondContact O-CG 3.33Å; W15-L45 PolarHBondContact O-N 2.78Å; W15-L45 VanDerWaalsContact O-N 3.08Å; L16-L45 HydrophobicContact CD1-CB 3.91Å; L16-L45 HydrophobicContact CD1-CD1 3.82Å; L16-L45 HydrophobicContact CG-CB 4.4Å; A17-L45 PolarHBondContact N-O 2.78Å; L45-M121 WeakPolarHBondContact CD2-O 3.02Å |
| 46 | H | 34.6 | Very low | 34.9 | Very low | 46 Ų | 46 | 97.4 Ų | 97.4 | 21% | 0.213 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 138.3 | -175.6 | -64.3 | -107.5 | 0 | 0 | 0 | 111.7 | R160 | H46-R160 VanDerWaalsContact CD2-CZ 3.48Å; H46-R160 PolarHBondContact CD2-NH1 3.34Å; H46-R160 PolarHBondContact CD2-NH2 3.09Å; H46-R160 PolarHBondContact NE2-NH2 2.8Å |
| 47 | P | 34.5 | Very low | 34.7 | Very low | 32 Ų | 32 | 104.5 Ų | 104.5 | 21% | 0.208 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 155 | 170.3 | 34.9 | -31 | 0 | 0 | 0 | 111.8 | A17 V18 | A17-P47 WeakPolarHBondContact O-CD 3.31Å; A17-P47 VanDerWaalsContact O-CG 3.23Å; A17-P47 WeakPolarHBondContact O-CG 3.48Å; V18-P47 HydrophobicContact CB-CB 4.29Å; V18-P47 HydrophobicContact CG1-CB 4.06Å; V18-P47 HydrophobicContact CG2-CB 4.25Å |
| 48 | R | 31.4 | Very low | 34.3 | Very low | 115 Ų | 115 | 105.5 Ų | 105.5 | 43% | 0.434 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 139.4 | 170.3 | -66.9 | -173.4 | -169.4 | 167.4 | 5 | 110.3 | ||
| 49 | P | 31.5 | Very low | 33.7 | Very low | 69 Ų | 69 | 105.8 Ų | 105.8 | 45% | 0.448 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 135.3 | 147.8 | 6.5 | 8.1 | 0 | 0 | 0 | 108.1 | ||
| 50 | V | 31.8 | Very low | 33.6 | Very low | 59 Ų | 59 | 107.9 Ų | 107.9 | 36% | 0.358 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -97.1 | 131.5 | 170.9 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | Y20 M52 | Y20-V50 HydrophobicContact CD1-CB 3.58Å; Y20-V50 HydrophobicContact CD1-CG1 4.5Å; Y20-V50 HydrophobicContact CD1-CG2 3.63Å; Y20-V50 HydrophobicContact CE1-CB 3.23Å; Y20-V50 HydrophobicContact CE1-CG1 3.84Å; Y20-V50 HydrophobicContact CE1-CG2 3Å; Y20-V50 VanDerWaalsContact CZ-CG2 3.49Å; V50-M52 PolarHBondContact O-N 3.25Å |
| 51 | D | 29.4 | Very low | 33.5 | Very low | 142 Ų | 142 | 110.4 Ų | 110.4 | 76% | 0.759 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 128.8 | 177.6 | -60.9 | -49.4 | 0 | 0 | 0 | 109.8 | E53 | D51-E53 PolarHBondContact O-N 2.03Š|
| 52 | M | 29.2 | Very low | 33.5 | Very low | 149 Ų | 149 | 107.1 Ų | 107.1 | 73% | 0.734 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -61.5 | -10.3 | -168.2 | -75.2 | -173.6 | -88.3 | 0 | 0 | 115.4 | V50 E54 K55 | V50-M52 PolarHBondContact O-N 3.25Å; M52-E54 PolarHBondContact O-N 3.4Å; M52-K55 PolarHBondContact O-N 3.33Å |
| 53 | E | 33.3 | Very low | 33.5 | Very low | 192 Ų | 192 | 113.5 Ų | 113.5 | 90% | 0.897 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -69.3 | -14.1 | -174.9 | -74.7 | -173.6 | 160.5 | 0 | 0 | 114.5 | D51 | D51-E53 PolarHBondContact O-N 2.03Š|
| 54 | E | 35.9 | Very low | 33.7 | Very low | 162 Ų | 162 | 107.1 Ų | 107.1 | 76% | 0.757 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -95.4 | 6.8 | 176.7 | -84.5 | -171.8 | 166.9 | 0 | 0 | 115.2 | M52 | M52-E54 PolarHBondContact O-N 3.4Š|
| 55 | K | 32.5 | Very low | 34.1 | Very low | 102 Ų | 102 | 106.4 Ų | 106.4 | 44% | 0.443 | 54% | 0.537 | S | S | . | . | trans | -130.1 | 30.5 | -177.2 | -75.3 | -153.3 | 175.2 | -155.9 | 0 | 117.3 | M52 N57 E58 | M52-K55 PolarHBondContact O-N 3.33Å; K55-N57 PolarHBondContact O-N 2.9Å; K55-E58 IonicContact NZ-OE2 3.33Å; K55-E58 PolarHBondContact NZ-OE2 3.06Å | ||
| 56 | E | 36.4 | Very low | 34.5 | Very low | 190 Ų | 190 | 105.9 Ų | 105.9 | 89% | 0.888 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -2.7 | 173.7 | -106.2 | -172.6 | 172.8 | 0 | 0 | 115.4 | ||
| 57 | N | 38.4 | Very low | 35 | Very low | 168 Ų | 168 | 104.6 Ų | 104.6 | 90% | 0.898 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.7 | 14.5 | -179.4 | -108.2 | -7.9 | 0 | 0 | 0 | 116.6 | K55 | K55-N57 PolarHBondContact O-N 2.9Š|
| 58 | E | 36.1 | Very low | 35.6 | Very low | 106 Ų | 106 | 103.4 Ų | 103.4 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | trans | -123.7 | 105.5 | 167.4 | -74.5 | -174.7 | 173 | 0 | 0 | 109.4 | K55 N60 | K55-E58 IonicContact NZ-OE2 3.33Å; K55-E58 PolarHBondContact NZ-OE2 3.06Å; E58-N60 HydrophobicContact CB-CB 4.14Å; E58-N60 VanDerWaalsContact CD-ND2 3.32Å; E58-N60 PolarHBondContact O-N 3.25Å; E58-N60 PolarHBondContact OE2-ND2 3.08Å | ||
| 59 | T | 32.6 | Very low | 36.4 | Very low | 148 Ų | 148 | 99.2 Ų | 99.2 | 91% | 0.908 | 51% | 0.512 | S | S | * | . | trans | -64.1 | 30.7 | 163.1 | 42.3 | 0 | 0 | 0 | 0 | 112.7 | K61 | T59-K61 PolarHBondContact O-N 2.79Š| ||
| 60 | N | 34.7 | Very low | 37.4 | Very low | 100 Ų | 100 | 99.2 Ų | 99.2 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | trans | -74.1 | 77.9 | 172.4 | -76.5 | -21.7 | 0 | 0 | 0 | 108.2 | E58 V62 | E58-N60 HydrophobicContact CB-CB 4.14Å; E58-N60 VanDerWaalsContact CD-ND2 3.32Å; E58-N60 PolarHBondContact O-N 3.25Å; E58-N60 PolarHBondContact OE2-ND2 3.08Å; N60-V62 PolarHBondContact O-N 3.38Å; N60-V62 VanDerWaalsContact O-N 3.14Å | ||
| 61 | K | 32.4 | Very low | 38.6 | Very low | 176 Ų | 176 | 105.1 Ų | 105.1 | 77% | 0.765 | 52% | 0.519 | S | S | * | . | trans | -49.4 | 116.7 | 162.4 | -151.4 | 179.8 | -176 | -172.5 | 0 | 106.8 | T59 E63 | T59-K61 PolarHBondContact O-N 2.79Å; K61-E63 HydrophobicContact CB-CG 4.49Å; K61-E63 PolarHBondContact O-N 2.73Å; K61-E63 VanDerWaalsContact O-N 3.15Å | ||
| 62 | V | 36.1 | Very low | 39.9 | Very low | 64 Ų | 64 | 98.3 Ų | 98.3 | 39% | 0.388 | 48% | 0.482 | S | S | . | . | trans | -75.6 | 104.3 | -178.4 | -178.1 | 0 | 0 | 0 | 0 | 107.1 | N19 N60 | N19-V62 HydrophobicContact CB-CG1 3.81Å; N60-V62 PolarHBondContact O-N 3.38Å; N60-V62 VanDerWaalsContact O-N 3.14Å | ||
| 63 | E | 34.2 | Very low | 41.1 | Very low | 152 Ų | 152 | 92 Ų | 92 | 71% | 0.71 | 45% | 0.451 | S | S | * | . | trans | -92.6 | 1.4 | -168.6 | -72.4 | -171.2 | 160.6 | 0 | 0 | 115.6 | K61 | K61-E63 HydrophobicContact CB-CG 4.49Å; K61-E63 PolarHBondContact O-N 2.73Å; K61-E63 VanDerWaalsContact O-N 3.15Å | ||
| 64 | G | 35.9 | Very low | 42.3 | Very low | 19 Ų | 19 | 86.1 Ų | 86.1 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.7 | 166.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N19 M90 | N19-G64 WeakPolarHBondContact CB-O 2.98Å; N19-G64 PolarHBondContact ND2-O 2.88Å; G64-M90 WeakPolarHBondContact CA-O 3.31Å |
| 65 | V | 42.5 | Very low | 43.6 | Very low | 6 Ų | 6 | 80.8 Ų | 80.8 | 4% | 0.036 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.3 | 167.6 | -179.6 | 0 | 0 | 0 | 0 | 106.9 | A17 N19 Y21 T89 M90 M92 | A17-V65 HydrophobicContact CB-CG1 4.15Å; N19-V65 HydrophobicContact CB-CG2 4.46Å; Y21-V65 HydrophobicContact CE1-CG2 3.97Å; Y21-V65 WeakPolarHBondContact OH-CG2 3.28Å; V65-T89 CarbonylContact O-C 3.56Å; V65-T89 WeakPolarHBondContact O-CA 3.31Å; V65-M90 HydrophobicContact CG2-CE 4.37Å; V65-M90 PolarHBondContact N-O 2.96Å; V65-M90 PolarHBondContact O-N 3.23Å; V65-M92 HydrophobicContact CG2-CG 4.49Å; V65-M92 HydrophobicContact CG2-SD 3.62Å |
| 66 | A | 40.4 | Very low | 45.1 | Very low | 27 Ų | 27 | 76.2 Ų | 76.2 | 22% | 0.223 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L68 I87 T89 | A66-L68 HydrophobicContact CB-CD2 4.37Å; A66-I87 HydrophobicContact CB-CD1 4.26Å; A66-T89 HydrophobicContact CB-CG2 4.17Å |
| 67 | I | 46 | Very low | 46.2 | Very low | 19 Ų | 19 | 68.8 Ų | 68.8 | 10% | 0.097 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 113.2 | 175.4 | -38.8 | 171.9 | 0 | 0 | 0 | 109 | W15 I88 | W15-I67 HydrophobicContact CD2-CG2 3.82Å; W15-I67 HydrophobicContact CE3-CB 4.19Å; W15-I67 HydrophobicContact CE3-CG2 2.95Å; W15-I67 HydrophobicContact CH2-CG2 4.08Å; W15-I67 HydrophobicContact CZ3-CB 3.88Å; W15-I67 HydrophobicContact CZ3-CD1 4.04Å; W15-I67 HydrophobicContact CZ3-CG2 3.09Å; I67-I88 WeakPolarHBondContact CA-O 3.27Å; I67-I88 HydrophobicContact CB-CB 4.48Å; I67-I88 VanDerWaalsContact CB-O 3.27Å; I67-I88 WeakPolarHBondContact CB-O 3.46Å; I67-I88 HydrophobicContact CD1-CB 4.4Å; I67-I88 HydrophobicContact CD1-CG2 4.19Å; I67-I88 WeakPolarHBondContact CG1-O 3.49Å; I67-I88 PolarHBondContact N-O 3.42Å; I67-I88 PolarHBondContact O-N 3.36Å |
| 68 | L | 46.9 | Very low | 47.5 | Very low | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | trans | -100.9 | 125.3 | -165.7 | -58.7 | 170.1 | 0 | 0 | 0 | 110.6 | A66 L72 I87 M102 L107 Y111 | A66-L68 HydrophobicContact CB-CD2 4.37Å; L68-L72 HydrophobicContact CD2-CD2 4.06Å; L68-I87 HydrophobicContact CD2-CD1 4.33Å; L68-I87 HydrophobicContact CD2-CG2 3.93Å; L68-M102 HydrophobicContact CD2-CE 3.57Å; L68-M102 HydrophobicContact CD2-SD 4.39Å; L68-L107 HydrophobicContact CD1-CD2 3.69Å; L68-Y111 HydrophobicContact CD1-CE1 4.26Å; L68-Y111 HydrophobicContact CD1-CE2 4.34Å | ||
| 69 | P | 48.4 | Very low | 49 | Very low | 27 Ų | 27 | 70 Ų | 70 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | trans | -64.2 | 141.6 | 172.6 | -14.8 | 25.7 | 0 | 0 | 0 | 111 | R71 L72 T85 T86 I87 | P69-R71 VanDerWaalsContact C-N 3.26Å; P69-R71 PolarHBondContact O-N 3.37Å; P69-L72 VanDerWaalsContact O-CB 3.31Å; P69-L72 WeakPolarHBondContact O-CB 3.41Å; P69-L72 PolarHBondContact O-N 2.73Å; P69-T85 HydrophobicContact CB-CG2 4.3Å; P69-T85 HydrophobicContact CG-CG2 3.94Å; P69-T86 WeakPolarHBondContact CG-O 3.44Å; P69-I87 HydrophobicContact CG-CG2 4.3Å | ||
| 70 | W | 52.2 | Low | 50.6 | Low | 69 Ų | 69 | 67.2 Ų | 67.2 | 26% | 0.261 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -52 | -42.8 | 177.6 | -178.7 | -103.8 | 0 | 0 | 0 | 113.6 | L72 I73 E74 L119 | W70-L72 PolarHBondContact O-N 3.02Å; W70-L72 VanDerWaalsContact O-N 3.17Å; W70-I73 HydrophobicContact CE3-CD1 4.37Å; W70-I73 WeakPolarHBondContact O-CB 3.46Å; W70-I73 PolarHBondContact O-N 3.07Å; W70-E74 VanDerWaalsContact CD1-CD 3.45Å; W70-E74 HydrophobicContact CZ2-CG 4.36Å; W70-E74 PolarHBondContact NE1-OE1 3.27Å; W70-E74 PolarHBondContact O-N 2.91Å; W70-L119 HydrophobicContact CH2-CD1 3.67Å; W70-L119 HydrophobicContact CH2-CD2 3.55Å; W70-L119 HydrophobicContact CH2-CG 4.21Å; W70-L119 HydrophobicContact CZ3-CD1 4.32Å; W70-L119 HydrophobicContact CZ3-CD2 3.45Å; W70-L119 VanDerWaalsContact CZ3-CD2 3.45Å |
| 71 | R | 56.1 | Low | 52.3 | Low | 183 Ų | 183 | 70 Ų | 70 | 69% | 0.691 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57.5 | -30.8 | 178 | -75.3 | -174.8 | 175.1 | 170.5 | -0.3 | 113.4 | P69 K75 | P69-R71 VanDerWaalsContact C-N 3.26Å; P69-R71 PolarHBondContact O-N 3.37Å; R71-K75 VanDerWaalsContact O-CG 3.3Å; R71-K75 WeakPolarHBondContact O-CG 3.2Å; R71-K75 PolarHBondContact O-N 3.39Å |
| 72 | L | 56.9 | Low | 53.8 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71.1 | -40.6 | 177.6 | -179.2 | 61 | 0 | 0 | 0 | 110.7 | L68 P69 W70 K75 A76 T85 I87 M102 P104 L107 | L68-L72 HydrophobicContact CD2-CD2 4.06Å; P69-L72 VanDerWaalsContact O-CB 3.31Å; P69-L72 WeakPolarHBondContact O-CB 3.41Å; P69-L72 PolarHBondContact O-N 2.73Å; W70-L72 PolarHBondContact O-N 3.02Å; W70-L72 VanDerWaalsContact O-N 3.17Å; L72-K75 PolarHBondContact O-N 3.38Å; L72-A76 WeakPolarHBondContact O-CB 3.08Å; L72-A76 PolarHBondContact O-N 3.36Å; L72-T85 HydrophobicContact CB-CG2 4.14Å; L72-I87 HydrophobicContact CD2-CG2 3.48Å; L72-I87 VanDerWaalsContact CD2-CG2 3.48Å; L72-M102 HydrophobicContact CD2-CB 4.27Å; L72-M102 HydrophobicContact CD2-CE 3.94Å; L72-P104 HydrophobicContact CD1-CB 4.38Å; L72-P104 HydrophobicContact CD1-CG 3.94Å; L72-L107 HydrophobicContact CD1-CD1 4.03Å; L72-L107 HydrophobicContact CD2-CD1 4.12Å; L72-L107 HydrophobicContact CG-CD1 3.63Å |
| 73 | I | 55.2 | Low | 55.2 | Low | 15 Ų | 15 | 66.2 Ų | 66.2 | 8% | 0.077 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 175.4 | -57.4 | 174 | 0 | 0 | 0 | 110.3 | W70 K75 A76 V77 L107 | W70-I73 HydrophobicContact CE3-CD1 4.37Å; W70-I73 WeakPolarHBondContact O-CB 3.46Å; W70-I73 PolarHBondContact O-N 3.07Å; I73-K75 VanDerWaalsContact C-N 3.31Å; I73-K75 PolarHBondContact O-N 2.78Å; I73-A76 WeakPolarHBondContact O-CB 3.49Å; I73-A76 PolarHBondContact O-N 2.87Å; I73-A76 VanDerWaalsContact O-N 3.1Å; I73-V77 HydrophobicContact CG2-CG2 4.15Å; I73-V77 WeakPolarHBondContact O-CG2 3.27Å; I73-V77 PolarHBondContact O-N 3.14Å; I73-L107 HydrophobicContact CG1-CD2 4.46Å |
| 74 | E | 59.2 | Low | 56.9 | Low | 70 Ų | 70 | 64.7 Ų | 64.7 | 33% | 0.327 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.2 | -45 | 177.2 | -71.8 | -175.9 | 146.5 | 0 | 0 | 112.2 | W70 A76 V77 K78 | W70-E74 VanDerWaalsContact CD1-CD 3.45Å; W70-E74 HydrophobicContact CZ2-CG 4.36Å; W70-E74 PolarHBondContact NE1-OE1 3.27Å; W70-E74 PolarHBondContact O-N 2.91Å; E74-A76 VanDerWaalsContact C-N 3.33Å; E74-V77 PolarHBondContact O-N 2.04Å; E74-K78 WeakPolarHBondContact O-CB 2.99Å; E74-K78 VanDerWaalsContact O-CG 3.31Å; E74-K78 WeakPolarHBondContact O-CG 3.4Å; E74-K78 PolarHBondContact O-N 3.4Å |
| 75 | K | 63.4 | Low | 58.1 | Low | 50 Ų | 50 | 64.9 Ų | 64.9 | 22% | 0.217 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 175.6 | -71.9 | 174.3 | -178.9 | -179.3 | 0 | 111.5 | R71 L72 I73 K78 Q79 E80 T83 P104 | R71-K75 VanDerWaalsContact O-CG 3.3Å; R71-K75 WeakPolarHBondContact O-CG 3.2Å; R71-K75 PolarHBondContact O-N 3.39Å; L72-K75 PolarHBondContact O-N 3.38Å; I73-K75 VanDerWaalsContact C-N 3.31Å; I73-K75 PolarHBondContact O-N 2.78Å; K75-K78 CarbonylContact O-C 3.5Å; K75-K78 PolarHBondContact O-N 3.14Å; K75-Q79 PolarHBondContact O-N 2.64Å; K75-E80 HydrophobicContact CB-CB 4.23Å; K75-E80 HydrophobicContact CG-CB 4.38Å; K75-E80 PolarHBondContact O-N 3.46Å; K75-T83 WeakPolarHBondContact CD-OG1 3.33Å; K75-T83 WeakPolarHBondContact CE-OG1 3.48Å; K75-T83 PolarHBondContact NZ-OG1 2.86Å; K75-P104 HydrophobicContact CB-CB 4.21Å; K75-P104 HydrophobicContact CB-CG 3.66Å; K75-P104 HydrophobicContact CD-CG 4.42Å |
| 76 | A | 62.7 | Low | 58.9 | Low | 5 Ų | 5 | 68.6 Ų | 68.6 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L72 I73 E74 Q79 P104 L107 | L72-A76 WeakPolarHBondContact O-CB 3.08Å; L72-A76 PolarHBondContact O-N 3.36Å; I73-A76 WeakPolarHBondContact O-CB 3.49Å; I73-A76 PolarHBondContact O-N 2.87Å; I73-A76 VanDerWaalsContact O-N 3.1Å; E74-A76 VanDerWaalsContact C-N 3.33Å; A76-Q79 PolarHBondContact O-N 2.86Å; A76-P104 HydrophobicContact CB-CB 3.96Å; A76-L107 HydrophobicContact CB-CD1 3.56Å |
| 77 | V | 58.9 | Low | 59.6 | Low | 35 Ų | 35 | 67.6 Ų | 67.6 | 21% | 0.212 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 111 | I73 E74 Q79 V114 | I73-V77 HydrophobicContact CG2-CG2 4.15Å; I73-V77 WeakPolarHBondContact O-CG2 3.27Å; I73-V77 PolarHBondContact O-N 3.14Å; E74-V77 PolarHBondContact O-N 2.04Å; V77-Q79 PolarHBondContact O-N 2.83Å; V77-V114 HydrophobicContact CG2-CB 4.3Å; V77-V114 VanDerWaalsContact CG2-O 3.24Å; V77-V114 WeakPolarHBondContact CG2-O 3.43Å |
| 78 | K | 67.4 | Low | 59.8 | Low | 130 Ų | 130 | 69.1 Ų | 69.1 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -1.2 | 176.3 | -67.2 | 179.3 | -175.1 | 175.1 | 0 | 113.8 | E74 K75 E80 | E74-K78 WeakPolarHBondContact O-CB 2.99Å; E74-K78 VanDerWaalsContact O-CG 3.31Å; E74-K78 WeakPolarHBondContact O-CG 3.4Å; E74-K78 PolarHBondContact O-N 3.4Å; K75-K78 CarbonylContact O-C 3.5Å; K75-K78 PolarHBondContact O-N 3.14Å; K78-E80 HydrophobicContact CB-CG 3.8Å; K78-E80 WeakPolarHBondContact CD-OE1 3.02Å; K78-E80 IonicContact NZ-OE1 3.42Å; K78-E80 PolarHBondContact O-N 2.02Å |
| 79 | Q | 66.3 | Low | 59.8 | Low | 170 Ų | 170 | 70.2 Ų | 70.2 | 79% | 0.794 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 34.6 | -173.1 | -57 | -178.9 | -11.1 | 0 | 0 | 112.1 | K75 A76 V77 E81 | K75-Q79 PolarHBondContact O-N 2.64Å; A76-Q79 PolarHBondContact O-N 2.86Å; V77-Q79 PolarHBondContact O-N 2.83Å; Q79-E81 PolarHBondContact O-N 3.21Å |
| 80 | E | 66.5 | Low | 59.6 | Low | 89 Ų | 89 | 69.6 Ų | 69.6 | 42% | 0.416 | 34% | 0.344 | S | S | . | . | trans | -76.6 | 119.8 | 175 | -73.1 | 176.1 | -165.6 | 0 | 0 | 108.8 | K75 K78 | K75-E80 HydrophobicContact CB-CB 4.23Å; K75-E80 HydrophobicContact CG-CB 4.38Å; K75-E80 PolarHBondContact O-N 3.46Å; K78-E80 HydrophobicContact CB-CG 3.8Å; K78-E80 WeakPolarHBondContact CD-OE1 3.02Å; K78-E80 IonicContact NZ-OE1 3.42Å; K78-E80 PolarHBondContact O-N 2.02Å | ||
| 81 | E | 70.9 | Confident | 59.2 | Low | 158 Ų | 158 | 69.1 Ų | 69.1 | 74% | 0.738 | 35% | 0.347 | S | S | * | . | trans | -80.8 | 149.6 | -172 | -66.3 | -172.9 | 161.5 | 0 | 0 | 114 | Q79 T83 E105 | Q79-E81 PolarHBondContact O-N 3.21Å; E81-T83 PolarHBondContact O-N 3.21Å; E81-E105 WeakPolarHBondContact CA-OE1 3.07Å | ||
| 82 | S | 63.2 | Low | 58.4 | Low | 92 Ų | 92 | 61.3 Ų | 61.3 | 64% | 0.643 | 32% | 0.318 | S | S | * | . | trans | 77.4 | 6.6 | 144.8 | -58.6 | 0 | 0 | 0 | 0 | 121.2 | E105 | S82-E105 PolarHBondContact N-OE1 3.23Å; S82-E105 VanDerWaalsContact N-OE1 3.09Å | ||
| 83 | T | 66.3 | Low | 57.8 | Low | 68 Ų | 68 | 68.1 Ų | 68.1 | 42% | 0.417 | 36% | 0.36 | S | S | . | . | trans | -96.1 | 118.6 | 168.8 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | K75 E81 T85 | K75-T83 WeakPolarHBondContact CD-OG1 3.33Å; K75-T83 WeakPolarHBondContact CE-OG1 3.48Å; K75-T83 PolarHBondContact NZ-OG1 2.86Å; E81-T83 PolarHBondContact O-N 3.21Å; T83-T85 PolarHBondContact O-N 2.95Å | ||
| 84 | L | 70 | Confident | 57.3 | Low | 121 Ų | 121 | 70.5 Ų | 70.5 | 63% | 0.634 | 38% | 0.378 | S | S | * | . | trans | -58.1 | 129.2 | 168.8 | -74.5 | 168.1 | 0 | 0 | 0 | 109.8 | A101 T103 | L84-A101 HydrophobicContact CB-CB 4.29Å; L84-A101 HydrophobicContact CD1-CB 4.46Å; L84-A101 HydrophobicContact CD2-CB 3.91Å; L84-A101 HydrophobicContact CG-CB 4.45Å; L84-T103 HydrophobicContact CD2-CG2 3.53Å; L84-T103 HydrophobicContact CG-CG2 4.22Å | ||
| 85 | T | 60.5 | Low | 56.6 | Low | 22 Ų | 22 | 68.8 Ų | 68.8 | 14% | 0.135 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.7 | 171.9 | -49.2 | 0 | 0 | 0 | 0 | 108.4 | P69 L72 T83 I87 M102 | P69-T85 HydrophobicContact CB-CG2 4.3Å; P69-T85 HydrophobicContact CG-CG2 3.94Å; L72-T85 HydrophobicContact CB-CG2 4.14Å; T83-T85 PolarHBondContact O-N 2.95Å; T85-I87 PolarHBondContact O-N 2.93Å; T85-M102 PolarHBondContact N-O 3.12Å; T85-M102 PolarHBondContact O-N 3.33Å |
| 86 | T | 58.6 | Low | 55.7 | Low | 85 Ų | 85 | 70.8 Ų | 70.8 | 52% | 0.521 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 122.6 | 173.7 | -49.4 | 0 | 0 | 0 | 0 | 109.5 | P69 E99 T100 | P69-T86 WeakPolarHBondContact CG-O 3.44Å; T86-E99 HydrophobicContact CG2-CB 3.97Å; T86-E99 HydrophobicContact CG2-CG 4.22Å; T86-T100 CarbonylContact C-O 3.56Å |
| 87 | I | 56.1 | Low | 55 | Low | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.026 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 155 | 173.5 | 63.9 | 158.5 | 0 | 0 | 0 | 108.2 | A66 L68 P69 L72 T85 T89 E99 T100 M102 | A66-I87 HydrophobicContact CB-CD1 4.26Å; L68-I87 HydrophobicContact CD2-CD1 4.33Å; L68-I87 HydrophobicContact CD2-CG2 3.93Å; P69-I87 HydrophobicContact CG-CG2 4.3Å; L72-I87 HydrophobicContact CD2-CG2 3.48Å; L72-I87 VanDerWaalsContact CD2-CG2 3.48Å; T85-I87 PolarHBondContact O-N 2.93Å; I87-T89 HydrophobicContact CD1-CG2 3.64Å; I87-T89 HydrophobicContact CG1-CG2 4.19Å; I87-E99 WeakPolarHBondContact O-CA 3.41Å; I87-T100 WeakPolarHBondContact CG1-O 3.2Å; I87-T100 PolarHBondContact N-O 2.78Å; I87-T100 PolarHBondContact O-N 3.01Å; I87-T100 VanDerWaalsContact O-O 3.08Å; I87-M102 HydrophobicContact CD1-CB 3.91Å; I87-M102 HydrophobicContact CD1-SD 3.92Å; I87-M102 HydrophobicContact CG1-CB 4.08Å; I87-M102 HydrophobicContact CG2-CB 3.95Å |
| 88 | I | 50.3 | Low | 54.5 | Low | 51 Ų | 51 | 77 Ų | 77 | 26% | 0.262 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.1 | 171.9 | -59.7 | 178.8 | 0 | 0 | 0 | 107.4 | W15 I67 L97 H98 | W15-I88 HydrophobicContact CH2-CD1 4.29Å; I67-I88 WeakPolarHBondContact CA-O 3.27Å; I67-I88 HydrophobicContact CB-CB 4.48Å; I67-I88 VanDerWaalsContact CB-O 3.27Å; I67-I88 WeakPolarHBondContact CB-O 3.46Å; I67-I88 HydrophobicContact CD1-CB 4.4Å; I67-I88 HydrophobicContact CD1-CG2 4.19Å; I67-I88 WeakPolarHBondContact CG1-O 3.49Å; I67-I88 PolarHBondContact N-O 3.42Å; I67-I88 PolarHBondContact O-N 3.36Å; I88-L97 HydrophobicContact CG2-CB 4.15Å; I88-L97 HydrophobicContact CG2-CD2 4.05Å; I88-H98 CarbonylContact C-O 3.59Å; I88-H98 WeakPolarHBondContact CA-O 3.49Å |
| 89 | T | 47.5 | Very low | 54.3 | Low | 29 Ų | 29 | 77.8 Ų | 77.8 | 18% | 0.178 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 139.9 | 177.8 | 51.4 | 0 | 0 | 0 | 0 | 109.6 | V65 A66 I87 L97 H98 T100 | V65-T89 CarbonylContact O-C 3.56Å; V65-T89 WeakPolarHBondContact O-CA 3.31Å; A66-T89 HydrophobicContact CB-CG2 4.17Å; I87-T89 HydrophobicContact CD1-CG2 3.64Å; I87-T89 HydrophobicContact CG1-CG2 4.19Å; T89-L97 CarbonylContact O-C 3.58Å; T89-L97 WeakPolarHBondContact O-CA 3.31Å; T89-H98 PolarHBondContact N-O 3.18Å; T89-H98 PolarHBondContact O-N 3.01Å; T89-H98 PolarHBondContact OG1-O 2.87Å; T89-H98 VanDerWaalsContact OG1-O 3.1Å; T89-T100 PolarHBondContact OG1-OG1 2.82Å; T89-T100 VanDerWaalsContact OG1-OG1 3.09Å |
| 90 | M | 42.7 | Very low | 53.8 | Low | 14 Ų | 14 | 72.6 Ų | 72.6 | 7% | 0.069 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.9 | 175 | -167.8 | 178.5 | 66.6 | 0 | 0 | 110.3 | I28 A32 G64 V65 M92 G95 D96 L97 | I28-M90 HydrophobicContact CG2-CE 4.39Å; A32-M90 HydrophobicContact CB-CE 3.69Å; A32-M90 HydrophobicContact CB-SD 4.17Å; G64-M90 WeakPolarHBondContact CA-O 3.31Å; V65-M90 HydrophobicContact CG2-CE 4.37Å; V65-M90 PolarHBondContact N-O 2.96Å; V65-M90 PolarHBondContact O-N 3.23Å; M90-M92 HydrophobicContact CE-SD 4.03Å; M90-M92 PolarHBondContact O-N 2.03Å; M90-G95 WeakPolarHBondContact CG-O 3.41Å; M90-D96 WeakPolarHBondContact CA-O 3.35Å; M90-L97 HydrophobicContact CB-CD2 3.74Å; M90-L97 HydrophobicContact CG-CD2 3.81Å; M90-L97 HydrophobicContact SD-CD2 4.33Å |
| 91 | N | 44.7 | Very low | 54 | Low | 60 Ų | 60 | 71.1 Ų | 71.1 | 32% | 0.321 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 122.1 | 168.8 | -176.5 | -50 | 0 | 0 | 0 | 108.5 | T93 S94 G95 D96 | N91-T93 PolarHBondContact OD1-N 2.83Å; N91-S94 WeakPolarHBondContact CB-OG 3.12Å; N91-S94 VanDerWaalsContact CG-OG 3.31Å; N91-S94 PolarHBondContact OD1-N 2.86Å; N91-S94 VanDerWaalsContact OD1-N 3.08Å; N91-S94 PolarHBondContact OD1-OG 3.25Å; N91-G95 CarbonylContact O-C 3.59Å; N91-G95 WeakPolarHBondContact O-CA 3.4Å; N91-G95 PolarHBondContact O-N 2.93Å; N91-D96 HydrophobicContact CB-CB 4.41Å; N91-D96 PolarHBondContact N-O 3.04Å |
| 92 | M | 39.5 | Very low | 53.7 | Low | 19 Ų | 19 | 65.1 Ų | 65.1 | 9% | 0.094 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -32.7 | -176.3 | -78.1 | -63.5 | -63.3 | 0 | 0 | 113.4 | Y21 I28 V65 M90 | Y21-M92 HydrophobicContact CD1-CE 3.55Å; Y21-M92 HydrophobicContact CD1-SD 4.48Å; Y21-M92 HydrophobicContact CE1-CE 3.29Å; Y21-M92 HydrophobicContact CE1-SD 3.68Å; I28-M92 HydrophobicContact CB-CE 3.91Å; I28-M92 HydrophobicContact CD1-CE 4.04Å; I28-M92 HydrophobicContact CG2-CE 3.41Å; I28-M92 VanDerWaalsContact CG2-CE 3.41Å; I28-M92 HydrophobicContact CG2-SD 3.76Å; V65-M92 HydrophobicContact CG2-CG 4.49Å; V65-M92 HydrophobicContact CG2-SD 3.62Å; M90-M92 HydrophobicContact CE-SD 4.03Å; M90-M92 PolarHBondContact O-N 2.03Å |
| 93 | T | 42.9 | Very low | 54 | Low | 142 Ų | 142 | 62.6 Ų | 62.6 | 87% | 0.871 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -38.9 | -176.9 | -49.7 | 0 | 0 | 0 | 0 | 111.9 | N91 | N91-T93 PolarHBondContact OD1-N 2.83Š|
| 94 | S | 45.8 | Very low | 54 | Low | 65 Ų | 65 | 59.5 Ų | 59.5 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -21.7 | -179.4 | 64.8 | 0 | 0 | 0 | 0 | 114.4 | N91 D96 | N91-S94 WeakPolarHBondContact CB-OG 3.12Å; N91-S94 VanDerWaalsContact CG-OG 3.31Å; N91-S94 PolarHBondContact OD1-N 2.86Å; N91-S94 VanDerWaalsContact OD1-N 3.08Å; N91-S94 PolarHBondContact OD1-OG 3.25Å; S94-D96 WeakPolarHBondContact CB-OD2 3.33Å; S94-D96 WeakPolarHBondContact OG-CB 3Å; S94-D96 PolarHBondContact OG-N 3.3Å; S94-D96 PolarHBondContact OG-OD2 3.34Å |
| 95 | G | 44.3 | Very low | 53.9 | Low | 35 Ų | 35 | 57.3 Ų | 57.3 | 36% | 0.361 | 33% | 0.329 | S | S | . | . | trans | 79.5 | 3.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M90 N91 | M90-G95 WeakPolarHBondContact CG-O 3.41Å; N91-G95 CarbonylContact O-C 3.59Å; N91-G95 WeakPolarHBondContact O-CA 3.4Å; N91-G95 PolarHBondContact O-N 2.93Å | ||
| 96 | D | 45.7 | Very low | 54.1 | Low | 91 Ų | 91 | 59.1 Ų | 59.1 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | trans | -73.2 | 130.7 | -173.7 | -65.1 | -40.4 | 0 | 0 | 0 | 112.2 | M90 N91 S94 H98 | M90-D96 WeakPolarHBondContact CA-O 3.35Å; N91-D96 HydrophobicContact CB-CB 4.41Å; N91-D96 PolarHBondContact N-O 3.04Å; S94-D96 WeakPolarHBondContact CB-OD2 3.33Å; S94-D96 WeakPolarHBondContact OG-CB 3Å; S94-D96 PolarHBondContact OG-N 3.3Å; S94-D96 PolarHBondContact OG-OD2 3.34Å; D96-H98 PolarHBondContact O-ND1 3.4Å; D96-H98 VanDerWaalsContact O-ND1 3.09Å | ||
| 97 | L | 46 | Very low | 54.1 | Low | 73 Ų | 73 | 55.2 Ų | 55.2 | 38% | 0.382 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 137.1 | 173.3 | -60.4 | 176 | 0 | 0 | 0 | 110.7 | W3 I88 T89 M90 | W3-L97 HydrophobicContact CH2-CD1 3.97Å; I88-L97 HydrophobicContact CG2-CB 4.15Å; I88-L97 HydrophobicContact CG2-CD2 4.05Å; T89-L97 CarbonylContact O-C 3.58Å; T89-L97 WeakPolarHBondContact O-CA 3.31Å; M90-L97 HydrophobicContact CB-CD2 3.74Å; M90-L97 HydrophobicContact CG-CD2 3.81Å; M90-L97 HydrophobicContact SD-CD2 4.33Å |
| 98 | H | 49.8 | Very low | 53.9 | Low | 98 Ų | 98 | 58.5 Ų | 58.5 | 45% | 0.454 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 138.3 | -179.4 | -68.4 | 79.4 | 0 | 0 | 0 | 109.6 | I88 T89 D96 | I88-H98 CarbonylContact C-O 3.59Å; I88-H98 WeakPolarHBondContact CA-O 3.49Å; T89-H98 PolarHBondContact N-O 3.18Å; T89-H98 PolarHBondContact O-N 3.01Å; T89-H98 PolarHBondContact OG1-O 2.87Å; T89-H98 VanDerWaalsContact OG1-O 3.1Å; D96-H98 PolarHBondContact O-ND1 3.4Å; D96-H98 VanDerWaalsContact O-ND1 3.09Å |
| 99 | E | 63 | Low | 53.9 | Low | 146 Ų | 146 | 60.4 Ų | 60.4 | 68% | 0.682 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 124.7 | 168.5 | -68.9 | -175.3 | -178.7 | 0 | 0 | 109.6 | T86 I87 | T86-E99 HydrophobicContact CG2-CB 3.97Å; T86-E99 HydrophobicContact CG2-CG 4.22Å; I87-E99 WeakPolarHBondContact O-CA 3.41Å |
| 100 | T | 56.2 | Low | 53.7 | Low | 62 Ų | 62 | 62.8 Ų | 62.8 | 38% | 0.38 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 145 | 177.3 | -58.6 | 0 | 0 | 0 | 0 | 108.7 | T86 I87 T89 | T86-T100 CarbonylContact C-O 3.56Å; I87-T100 WeakPolarHBondContact CG1-O 3.2Å; I87-T100 PolarHBondContact N-O 2.78Å; I87-T100 PolarHBondContact O-N 3.01Å; I87-T100 VanDerWaalsContact O-O 3.08Å; T89-T100 PolarHBondContact OG1-OG1 2.82Å; T89-T100 VanDerWaalsContact OG1-OG1 3.09Å |
| 101 | A | 69.4 | Low | 53.8 | Low | 57 Ų | 57 | 63.2 Ų | 63.2 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 131.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | L84 | L84-A101 HydrophobicContact CB-CB 4.29Å; L84-A101 HydrophobicContact CD1-CB 4.46Å; L84-A101 HydrophobicContact CD2-CB 3.91Å; L84-A101 HydrophobicContact CG-CB 4.45Å |
| 102 | M | 64.5 | Low | 53.9 | Low | 32 Ų | 32 | 64 Ų | 64 | 16% | 0.158 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144.4 | 179.4 | -160.9 | 168.6 | 96.5 | 0 | 0 | 111.5 | L68 L72 T85 I87 A106 L107 | L68-M102 HydrophobicContact CD2-CE 3.57Å; L68-M102 HydrophobicContact CD2-SD 4.39Å; L72-M102 HydrophobicContact CD2-CB 4.27Å; L72-M102 HydrophobicContact CD2-CE 3.94Å; T85-M102 PolarHBondContact N-O 3.12Å; T85-M102 PolarHBondContact O-N 3.33Å; I87-M102 HydrophobicContact CD1-CB 3.91Å; I87-M102 HydrophobicContact CD1-SD 3.92Å; I87-M102 HydrophobicContact CG1-CB 4.08Å; I87-M102 HydrophobicContact CG2-CB 3.95Å; M102-A106 HydrophobicContact CG-CB 3.79Å; M102-A106 HydrophobicContact SD-CB 4.36Å; M102-L107 HydrophobicContact CE-CB 4.32Å; M102-L107 HydrophobicContact CE-CD1 4.14Å; M102-L107 HydrophobicContact CE-CD2 4.31Å; M102-L107 HydrophobicContact CE-CG 3.54Å |
| 103 | T | 70.3 | Confident | 54.1 | Low | 39 Ų | 39 | 68.4 Ų | 68.4 | 24% | 0.239 | 41% | 0.41 | C | S | . | . | trans | -95.6 | 157 | 174.5 | 73.6 | 0 | 0 | 0 | 0 | 111.1 | L84 E105 A106 | L84-T103 HydrophobicContact CD2-CG2 3.53Å; L84-T103 HydrophobicContact CG-CG2 4.22Å; T103-E105 WeakPolarHBondContact CB-OE2 3.22Å; T103-E105 PolarHBondContact O-N 2.91Å; T103-E105 PolarHBondContact OG1-OE2 3.2Å; T103-A106 PolarHBondContact O-N 2.99Å | ||
| 104 | P | 66.1 | Low | 54.2 | Low | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.019 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -57.6 | -30.8 | 178.4 | -23.8 | 33.6 | 0 | 0 | 0 | 114 | L72 K75 A76 A106 L107 | L72-P104 HydrophobicContact CD1-CB 4.38Å; L72-P104 HydrophobicContact CD1-CG 3.94Å; K75-P104 HydrophobicContact CB-CB 4.21Å; K75-P104 HydrophobicContact CB-CG 3.66Å; K75-P104 HydrophobicContact CD-CG 4.42Å; A76-P104 HydrophobicContact CB-CB 3.96Å; P104-A106 VanDerWaalsContact C-N 3.32Å; P104-A106 PolarHBondContact O-N 2.92Å; P104-L107 WeakPolarHBondContact O-CB 3.23Å; P104-L107 WeakPolarHBondContact O-CD1 3.48Å; P104-L107 PolarHBondContact O-N 2.79Å |
| 105 | E | 68.2 | Low | 54 | Low | 75 Ų | 75 | 65.3 Ų | 65.3 | 35% | 0.35 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -73.6 | -27.1 | -178.1 | -50.2 | 78.6 | -169.6 | 0 | 0 | 112.1 | E81 S82 T103 L107 K112 | E81-E105 WeakPolarHBondContact CA-OE1 3.07Å; S82-E105 PolarHBondContact N-OE1 3.23Å; S82-E105 VanDerWaalsContact N-OE1 3.09Å; T103-E105 WeakPolarHBondContact CB-OE2 3.22Å; T103-E105 PolarHBondContact O-N 2.91Å; T103-E105 PolarHBondContact OG1-OE2 3.2Å; E105-L107 VanDerWaalsContact C-N 3.26Å; E105-L107 PolarHBondContact O-N 3.17Å; E105-K112 WeakPolarHBondContact O-CE 3.05Å; E105-K112 PolarHBondContact O-NZ 2.93Å |
| 106 | A | 65.5 | Low | 53.6 | Low | 60 Ų | 60 | 67 Ų | 67 | 50% | 0.496 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -76.4 | -10.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M102 T103 P104 | M102-A106 HydrophobicContact CG-CB 3.79Å; M102-A106 HydrophobicContact SD-CB 4.36Å; T103-A106 PolarHBondContact O-N 2.99Å; P104-A106 VanDerWaalsContact C-N 3.32Å; P104-A106 PolarHBondContact O-N 2.92Å |
| 107 | L | 58.5 | Low | 52.9 | Low | 3 Ų | 3 | 72.4 Ų | 72.4 | 2% | 0.016 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -61.5 | 136.3 | 171.1 | -84.1 | 118.6 | 0 | 0 | 0 | 110.6 | L68 L72 I73 A76 M102 P104 E105 Y111 K112 | L68-L107 HydrophobicContact CD1-CD2 3.69Å; L72-L107 HydrophobicContact CD1-CD1 4.03Å; L72-L107 HydrophobicContact CD2-CD1 4.12Å; L72-L107 HydrophobicContact CG-CD1 3.63Å; I73-L107 HydrophobicContact CG1-CD2 4.46Å; A76-L107 HydrophobicContact CB-CD1 3.56Å; M102-L107 HydrophobicContact CE-CB 4.32Å; M102-L107 HydrophobicContact CE-CD1 4.14Å; M102-L107 HydrophobicContact CE-CD2 4.31Å; M102-L107 HydrophobicContact CE-CG 3.54Å; P104-L107 WeakPolarHBondContact O-CB 3.23Å; P104-L107 WeakPolarHBondContact O-CD1 3.48Å; P104-L107 PolarHBondContact O-N 2.79Å; E105-L107 VanDerWaalsContact C-N 3.26Å; E105-L107 PolarHBondContact O-N 3.17Å; L107-Y111 HydrophobicContact CB-CD2 4.19Å; L107-Y111 VanDerWaalsContact CD2-CB 3.43Å; L107-Y111 HydrophobicContact CD2-CD1 4.3Å; L107-Y111 HydrophobicContact CD2-CD2 3.68Å; L107-Y111 HydrophobicContact CD2-CG 3.54Å; L107-Y111 HydrophobicContact CG-CD2 4.5Å; L107-K112 VanDerWaalsContact O-CE 3.26Å; L107-K112 WeakPolarHBondContact O-CE 3.4Å |
| 108 | P | 52.3 | Low | 52.2 | Low | 74 Ų | 74 | 73.3 Ų | 73.3 | 48% | 0.481 | 42% | 0.416 | S | S | . | . | trans | -51.3 | 147.1 | 167.8 | -29.4 | 35.6 | 0 | 0 | 0 | 112.5 | A110 Y111 | P108-A110 PolarHBondContact O-N 2.77Å; P108-Y111 HydrophobicContact CB-CD2 3.73Å; P108-Y111 HydrophobicContact CB-CE2 3.64Å; P108-Y111 HydrophobicContact CG-CD2 3.99Å; P108-Y111 HydrophobicContact CG-CE2 3.62Å; P108-Y111 VanDerWaalsContact O-CD2 3.24Å; P108-Y111 WeakPolarHBondContact O-CD2 3.17Å; P108-Y111 PolarHBondContact O-N 2.92Å | ||
| 109 | S | 49.9 | Very low | 51.3 | Low | 92 Ų | 92 | 71.9 Ų | 71.9 | 64% | 0.643 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -54.3 | -30 | -174.9 | -44.1 | 0 | 0 | 0 | 0 | 113.5 | Y111 K112 | S109-Y111 PolarHBondContact O-N 3.28Å; S109-Y111 VanDerWaalsContact O-N 3.14Å; S109-K112 PolarHBondContact O-N 2.93Å |
| 110 | A | 42.5 | Very low | 49.5 | Very low | 78 Ų | 78 | 67.6 Ų | 67.6 | 65% | 0.645 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -55 | -28.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P108 | P108-A110 PolarHBondContact O-N 2.77Å |
| 111 | Y | 44.3 | Very low | 48.2 | Very low | 23 Ų | 23 | 68.5 Ų | 68.5 | 9% | 0.09 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -90.9 | -26.3 | -177.7 | -55.6 | -72.6 | 0 | 0 | 0 | 114.5 | L16 V18 L68 L107 P108 S109 N113 V114 | L16-Y111 HydrophobicContact CD2-CD1 4.27Å; L16-Y111 HydrophobicContact CD2-CE1 3.49Å; L16-Y111 VanDerWaalsContact CD2-CE1 3.49Å; V18-Y111 WeakPolarHBondContact CB-OH 3.03Å; V18-Y111 WeakPolarHBondContact CG1-OH 3.4Å; V18-Y111 HydrophobicContact CG2-CE1 4.14Å; V18-Y111 WeakPolarHBondContact CG2-OH 3.19Å; L68-Y111 HydrophobicContact CD1-CE1 4.26Å; L68-Y111 HydrophobicContact CD1-CE2 4.34Å; L107-Y111 HydrophobicContact CB-CD2 4.19Å; L107-Y111 VanDerWaalsContact CD2-CB 3.43Å; L107-Y111 HydrophobicContact CD2-CD1 4.3Å; L107-Y111 HydrophobicContact CD2-CD2 3.68Å; L107-Y111 HydrophobicContact CD2-CG 3.54Å; L107-Y111 HydrophobicContact CG-CD2 4.5Å; P108-Y111 HydrophobicContact CB-CD2 3.73Å; P108-Y111 HydrophobicContact CB-CE2 3.64Å; P108-Y111 HydrophobicContact CG-CD2 3.99Å; P108-Y111 HydrophobicContact CG-CE2 3.62Å; P108-Y111 VanDerWaalsContact O-CD2 3.24Å; P108-Y111 WeakPolarHBondContact O-CD2 3.17Å; P108-Y111 PolarHBondContact O-N 2.92Å; S109-Y111 PolarHBondContact O-N 3.28Å; S109-Y111 VanDerWaalsContact O-N 3.14Å; Y111-N113 PolarHBondContact O-N 3.3Å; Y111-V114 WeakPolarHBondContact O-CG2 3.47Å; Y111-V114 PolarHBondContact O-N 3.13Å |
| 112 | K | 46.7 | Very low | 46.2 | Very low | 76 Ų | 76 | 67.7 Ų | 67.7 | 33% | 0.33 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68 | -22 | -178.1 | -65.1 | 179.5 | -178.8 | 171.6 | 0 | 112.2 | E105 L107 S109 | E105-K112 WeakPolarHBondContact O-CE 3.05Å; E105-K112 PolarHBondContact O-NZ 2.93Å; L107-K112 VanDerWaalsContact O-CE 3.26Å; L107-K112 WeakPolarHBondContact O-CE 3.4Å; S109-K112 PolarHBondContact O-N 2.93Å |
| 113 | N | 45.2 | Very low | 44.3 | Very low | 113 Ų | 113 | 68.2 Ų | 68.2 | 60% | 0.604 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 12.6 | -175.7 | -63.9 | -23.5 | 0 | 0 | 0 | 113.9 | Y111 N115 | Y111-N113 PolarHBondContact O-N 3.3Å; N113-N115 PolarHBondContact O-N 3.07Å; N113-N115 VanDerWaalsContact O-N 3.12Å |
| 114 | V | 43.9 | Very low | 42.4 | Very low | 43 Ų | 43 | 70.1 Ų | 70.1 | 26% | 0.261 | 40% | 0.399 | S | S | . | . | trans | -76.7 | 101.7 | -178.9 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | V77 Y111 S116 L119 | V77-V114 HydrophobicContact CG2-CB 4.3Å; V77-V114 VanDerWaalsContact CG2-O 3.24Å; V77-V114 WeakPolarHBondContact CG2-O 3.43Å; Y111-V114 WeakPolarHBondContact O-CG2 3.47Å; Y111-V114 PolarHBondContact O-N 3.13Å; V114-S116 PolarHBondContact O-N 2.98Å; V114-S116 VanDerWaalsContact O-N 3.1Å; V114-L119 HydrophobicContact CG1-CD1 3.42Å; V114-L119 VanDerWaalsContact CG1-CD1 3.42Å; V114-L119 HydrophobicContact CG1-CG 4.2Å | ||
| 115 | N | 41.2 | Very low | 40.5 | Very low | 99 Ų | 99 | 72.4 Ų | 72.4 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | trans | -62.3 | 111.9 | 175.6 | -93.3 | -30 | 0 | 0 | 0 | 110.6 | N113 K117 N118 | N113-N115 PolarHBondContact O-N 3.07Å; N113-N115 VanDerWaalsContact O-N 3.12Å; N115-K117 PolarHBondContact O-N 3.35Å; N115-N118 HydrophobicContact CB-CB 4.46Å; N115-N118 CarbonylContact O-C 3.47Å; N115-N118 PolarHBondContact O-N 3.3Å | ||
| 116 | S | 36.3 | Very low | 38.7 | Very low | 71 Ų | 71 | 72.5 Ų | 72.5 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.7 | -175.3 | -36.7 | 0 | 0 | 0 | 0 | 114.5 | V114 | V114-S116 PolarHBondContact O-N 2.98Å; V114-S116 VanDerWaalsContact O-N 3.1Å |
| 117 | K | 32.2 | Very low | 37.2 | Very low | 203 Ų | 203 | 78.5 Ų | 78.5 | 88% | 0.883 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -17 | 175.7 | -70.7 | -173.2 | 178.2 | -179.6 | 0 | 114 | N115 | N115-K117 PolarHBondContact O-N 3.35Š|
| 118 | N | 30.8 | Very low | 36.3 | Very low | 93 Ų | 93 | 84.5 Ų | 84.5 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | trans | -120.2 | 45.3 | -178.8 | -75.6 | -7.9 | 0 | 0 | 0 | 110.9 | N115 P120 | N115-N118 HydrophobicContact CB-CB 4.46Å; N115-N118 CarbonylContact O-C 3.47Å; N115-N118 PolarHBondContact O-N 3.3Å; N118-P120 WeakPolarHBondContact O-CD 3.36Å | ||
| 119 | L | 30 | Very low | 35.6 | Very low | 67 Ų | 67 | 84.8 Ų | 84.8 | 35% | 0.351 | 46% | 0.458 | S | S | . | . | trans | -88.2 | 77.1 | 150 | -85.8 | 88.8 | 0 | 0 | 0 | 109.8 | W70 V114 M121 | W70-L119 HydrophobicContact CH2-CD1 3.67Å; W70-L119 HydrophobicContact CH2-CD2 3.55Å; W70-L119 HydrophobicContact CH2-CG 4.21Å; W70-L119 HydrophobicContact CZ3-CD1 4.32Å; W70-L119 HydrophobicContact CZ3-CD2 3.45Å; W70-L119 VanDerWaalsContact CZ3-CD2 3.45Å; V114-L119 HydrophobicContact CG1-CD1 3.42Å; V114-L119 VanDerWaalsContact CG1-CD1 3.42Å; V114-L119 HydrophobicContact CG1-CG 4.2Å; L119-M121 PolarHBondContact O-N 3.29Å | ||
| 120 | P | 25.8 | Very low | 34.8 | Very low | 56 Ų | 56 | 85.6 Ų | 85.6 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | trans | -67.4 | 127.9 | 146.3 | -6.3 | 24.9 | 0 | 0 | 0 | 105.2 | N118 C122 S123 | N118-P120 WeakPolarHBondContact O-CD 3.36Å; P120-C122 PolarHBondContact O-N 3.31Å; P120-S123 WeakPolarHBondContact CB-OG 3.05Å; P120-S123 WeakPolarHBondContact CG-OG 3.48Å; P120-S123 PolarHBondContact O-N 2.93Å | ||
| 121 | M | 28.3 | Very low | 34.3 | Very low | 82 Ų | 82 | 88.4 Ų | 88.4 | 40% | 0.404 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -3.2 | -178.7 | -83.6 | 167.2 | 40.4 | 0 | 0 | 115.9 | L45 L119 | L45-M121 WeakPolarHBondContact CD2-O 3.02Å; L119-M121 PolarHBondContact O-N 3.29Å |
| 122 | C | 27.2 | Very low | 33.7 | Very low | 39 Ų | 39 | 91.2 Ų | 91.2 | 26% | 0.264 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.6 | 31.4 | 174.3 | -80.7 | 0 | 0 | 0 | 0 | 114.3 | P120 S135 | P120-C122 PolarHBondContact O-N 3.31Å; C122-S135 WeakPolarHBondContact O-CB 3.42Å; C122-S135 PolarHBondContact O-OG 3.08Å |
| 123 | S | 25.4 | Very low | 33.2 | Very low | 44 Ų | 44 | 89.2 Ų | 89.2 | 31% | 0.308 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 94.4 | 177.1 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | P120 | P120-S123 WeakPolarHBondContact CB-OG 3.05Å; P120-S123 WeakPolarHBondContact CG-OG 3.48Å; P120-S123 PolarHBondContact O-N 2.93Å |
| 124 | F | 30.5 | Very low | 32.9 | Very low | 79 Ų | 79 | 87.8 Ų | 87.8 | 35% | 0.346 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 124.2 | 171.5 | -64.6 | -87.5 | 0 | 0 | 0 | 108.5 | I133 | F124-I133 WeakPolarHBondContact O-CA 3.02Å; F124-I133 WeakPolarHBondContact O-CB 3.19Å; F124-I133 WeakPolarHBondContact O-CG1 2.95Å; F124-I133 PolarHBondContact O-N 2.75Å |
| 125 | L | 25.9 | Very low | 32.8 | Very low | 50 Ų | 50 | 86.7 Ų | 86.7 | 26% | 0.262 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 149.3 | 175.2 | -64.9 | 167.1 | 0 | 0 | 0 | 110 | N129 E131 | L125-N129 HydrophobicContact CD1-CB 4.34Å; L125-E131 WeakPolarHBondContact CA-O 3.32Å |
| 126 | N | 30.1 | Very low | 32.8 | Very low | 78 Ų | 78 | 84.5 Ų | 84.5 | 42% | 0.417 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 168.8 | 173.2 | -157.9 | -3 | 0 | 0 | 0 | 111.6 | D128 N129 E131 I133 | N126-D128 PolarHBondContact O-N 2.72Å; N126-N129 WeakPolarHBondContact O-CA 3.43Å; N126-N129 PolarHBondContact O-N 3.47Å; N126-N129 PolarHBondContact O-OD1 3.09Å; N126-E131 PolarHBondContact N-O 2.63Å; N126-I133 HydrophobicContact CB-CD1 4.03Å; N126-I133 HydrophobicContact CB-CG1 4.19Å |
| 127 | K | 34.5 | Very low | 32.9 | Very low | 185 Ų | 185 | 89.1 Ų | 89.1 | 80% | 0.804 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -29.5 | -177.1 | -90 | -176 | 175.5 | 177.5 | 0 | 113.8 | ||
| 128 | D | 39.9 | Very low | 33.4 | Very low | 130 Ų | 130 | 83.7 Ų | 83.7 | 70% | 0.695 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 10.1 | 179.2 | -58 | -39.3 | 0 | 0 | 0 | 114.2 | N126 T130 | N126-D128 PolarHBondContact O-N 2.72Å; D128-T130 WeakPolarHBondContact O-CG2 3.38Å; D128-T130 PolarHBondContact O-N 2.66Å |
| 129 | N | 37.2 | Very low | 33.7 | Very low | 80 Ų | 80 | 81.2 Ų | 81.2 | 43% | 0.428 | 43% | 0.434 | S | S | . | . | S | Bend | trans | 58 | 12 | -179.8 | -73 | 7.4 | 0 | 0 | 0 | 116.1 | L125 N126 | L125-N129 HydrophobicContact CD1-CB 4.34Å; N126-N129 WeakPolarHBondContact O-CA 3.43Å; N126-N129 PolarHBondContact O-N 3.47Å; N126-N129 PolarHBondContact O-OD1 3.09Å |
| 130 | T | 32.8 | Very low | 34.2 | Very low | 109 Ų | 109 | 83.8 Ų | 83.8 | 67% | 0.669 | 45% | 0.448 | S | S | * | . | trans | -89.3 | -22.9 | -170.6 | 44.3 | 0 | 0 | 0 | 0 | 114.6 | D128 | D128-T130 WeakPolarHBondContact O-CG2 3.38Å; D128-T130 PolarHBondContact O-N 2.66Å | ||
| 131 | E | 31.7 | Very low | 34.8 | Very low | 137 Ų | 137 | 83.9 Ų | 83.9 | 64% | 0.64 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -134.6 | 136.6 | -176.9 | -66.2 | -175.8 | 175 | 0 | 0 | 111.7 | L125 N126 I133 | L125-E131 WeakPolarHBondContact CA-O 3.32Å; N126-E131 PolarHBondContact N-O 2.63Å; E131-I133 PolarHBondContact O-N 2.83Å |
| 132 | S | 33 | Very low | 35.4 | Very low | 82 Ų | 82 | 82 Ų | 82 | 57% | 0.573 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 107.9 | 169.9 | -62.7 | 0 | 0 | 0 | 0 | 107.9 | D134 | S132-D134 PolarHBondContact O-N 3.28Å; S132-D134 VanDerWaalsContact O-N 3.09Å |
| 133 | I | 35 | Very low | 36.1 | Very low | 34 Ų | 34 | 81.5 Ų | 81.5 | 17% | 0.174 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 113.2 | 170 | -57.6 | 172.3 | 0 | 0 | 0 | 105.5 | F124 N126 E131 S135 T138 | F124-I133 WeakPolarHBondContact O-CA 3.02Å; F124-I133 WeakPolarHBondContact O-CB 3.19Å; F124-I133 WeakPolarHBondContact O-CG1 2.95Å; F124-I133 PolarHBondContact O-N 2.75Å; N126-I133 HydrophobicContact CB-CD1 4.03Å; N126-I133 HydrophobicContact CB-CG1 4.19Å; E131-I133 PolarHBondContact O-N 2.83Å; I133-S135 VanDerWaalsContact C-N 3.28Å; I133-S135 PolarHBondContact O-N 2.77Å; I133-T138 HydrophobicContact CG2-CG2 3.66Å; I133-T138 WeakPolarHBondContact CG2-OG1 3.34Å |
| 134 | D | 38.9 | Very low | 36.9 | Very low | 82 Ų | 82 | 88.2 Ų | 88.2 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 98.5 | 165.7 | 179.3 | 2.2 | 0 | 0 | 0 | 106.9 | S132 C136 K137 | S132-D134 PolarHBondContact O-N 3.28Å; S132-D134 VanDerWaalsContact O-N 3.09Å; D134-C136 PolarHBondContact O-N 3.38Å; D134-C136 WeakPolarHBondContact OD1-CB 3.49Å; D134-C136 PolarHBondContact OD1-N 3.33Å; D134-K137 HydrophobicContact CB-CD 4.44Å; D134-K137 HydrophobicContact CB-CG 4.44Å; D134-K137 PolarHBondContact O-N 3.45Å; D134-K137 WeakPolarHBondContact OD2-CE 3.47Å |
| 135 | S | 41.8 | Very low | 37.8 | Very low | 20 Ų | 20 | 88.7 Ų | 88.7 | 14% | 0.14 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -61.8 | -13.4 | -173.1 | 46.6 | 0 | 0 | 0 | 0 | 112.4 | C122 I133 | C122-S135 WeakPolarHBondContact O-CB 3.42Å; C122-S135 PolarHBondContact O-OG 3.08Å; I133-S135 VanDerWaalsContact C-N 3.28Å; I133-S135 PolarHBondContact O-N 2.77Å |
| 136 | C | 41.7 | Very low | 39.1 | Very low | 53 Ų | 53 | 87.2 Ų | 87.2 | 36% | 0.358 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.9 | -28 | 169.7 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | D134 C155 | D134-C136 PolarHBondContact O-N 3.38Å; D134-C136 WeakPolarHBondContact OD1-CB 3.49Å; D134-C136 PolarHBondContact OD1-N 3.33Å; C136-C155 WeakPolarHBondContact CB-SG 3.3Å; C136-C155 WeakPolarHBondContact SG-CB 3.34Å; C136-C155 CovalentContact SG-SG 2.04Å; C136-C155 PolarHBondContact SG-SG 2.99Å |
| 137 | K | 39.1 | Very low | 40.4 | Very low | 169 Ų | 169 | 83.8 Ų | 83.8 | 74% | 0.735 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -86.4 | -31.4 | -174.5 | -70.9 | -176.4 | -175.3 | 176.6 | 0 | 114.2 | D134 | D134-K137 HydrophobicContact CB-CD 4.44Å; D134-K137 HydrophobicContact CB-CG 4.44Å; D134-K137 PolarHBondContact O-N 3.45Å; D134-K137 WeakPolarHBondContact OD2-CE 3.47Å |
| 138 | T | 41.4 | Very low | 41.9 | Very low | 89 Ų | 89 | 82.4 Ų | 82.4 | 55% | 0.546 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -96.5 | -6.4 | -175 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | I133 | I133-T138 HydrophobicContact CG2-CG2 3.66Å; I133-T138 WeakPolarHBondContact CG2-OG1 3.34Å |
| 139 | H | 37.9 | Very low | 43.2 | Very low | 41 Ų | 41 | 77.3 Ų | 77.3 | 19% | 0.19 | 42% | 0.422 | C | S | . | . | trans | -123.6 | 39.8 | -175.4 | -80.1 | -72.2 | 0 | 0 | 0 | 114.4 | G141 A142 V143 | H139-G141 PolarHBondContact O-N 3.29Å; H139-A142 HydrophobicContact CB-CB 4.49Å; H139-A142 PolarHBondContact O-N 2.96Å; H139-V143 HydrophobicContact CB-CG2 4.09Å; H139-V143 PolarHBondContact O-N 3.15Å | ||
| 140 | D | 39.6 | Very low | 44.6 | Very low | 121 Ų | 121 | 74.3 Ų | 74.3 | 65% | 0.647 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -20.5 | 174.2 | -149.8 | 8 | 0 | 0 | 0 | 112.6 | ||
| 141 | G | 39 | Very low | 46.1 | Very low | 58 Ų | 58 | 75.9 Ų | 75.9 | 60% | 0.598 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -48.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | H139 V143 | H139-G141 PolarHBondContact O-N 3.29Å; G141-V143 PolarHBondContact O-N 3.25Å |
| 142 | A | 40.5 | Very low | 47.4 | Very low | 43 Ų | 43 | 72.1 Ų | 72.1 | 36% | 0.355 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -20.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114 | H139 | H139-A142 HydrophobicContact CB-CB 4.49Å; H139-A142 PolarHBondContact O-N 2.96Å |
| 143 | V | 41.2 | Very low | 48.4 | Very low | 27 Ų | 27 | 72.6 Ų | 72.6 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -95.3 | -10 | -176.8 | -160.6 | 0 | 0 | 0 | 0 | 113 | H139 G141 V145 L152 | H139-V143 HydrophobicContact CB-CG2 4.09Å; H139-V143 PolarHBondContact O-N 3.15Å; G141-V143 PolarHBondContact O-N 3.25Å; V143-V145 PolarHBondContact O-N 2.79Å; V143-L152 HydrophobicContact CB-CD2 3.97Å; V143-L152 HydrophobicContact CG1-CD1 3.88Å; V143-L152 HydrophobicContact CG1-CD2 3.4Å; V143-L152 VanDerWaalsContact CG1-CD2 3.4Å; V143-L152 HydrophobicContact CG1-CG 4.17Å |
| 144 | R | 42.2 | Very low | 49.1 | Very low | 186 Ų | 186 | 75.9 Ų | 75.9 | 70% | 0.702 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28.6 | 169.8 | -89.3 | -178.4 | 148.7 | 130.8 | -6.1 | 113 | L146 | R144-L146 PolarHBondContact O-N 2.03Š|
| 145 | V | 49.8 | Very low | 49.5 | Very low | 89 Ų | 89 | 73.5 Ų | 73.5 | 54% | 0.539 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -29 | -172.6 | -172.5 | 0 | 0 | 0 | 0 | 112.8 | V143 | V143-V145 PolarHBondContact O-N 2.79Š|
| 146 | L | 52.9 | Low | 49.6 | Very low | 19 Ų | 19 | 76.9 Ų | 76.9 | 10% | 0.099 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -40.1 | -176.7 | -62.8 | 176.8 | 0 | 0 | 0 | 112.5 | R144 K148 F172 | R144-L146 PolarHBondContact O-N 2.03Å; L146-K148 PolarHBondContact O-N 2.74Å; L146-F172 HydrophobicContact CB-CD1 4Å; L146-F172 HydrophobicContact CB-CE1 4.28Å; L146-F172 HydrophobicContact CD1-CE1 4.39Å |
| 147 | C | 57.6 | Low | 49.7 | Very low | 5 Ų | 5 | 78.6 Ų | 78.6 | 3% | 0.034 | 41% | 0.413 | C | S | . | . | trans | -92.8 | 72 | -171.8 | -67.9 | 0 | 0 | 0 | 0 | 110.6 | S150 C162 | C147-S150 VanDerWaalsContact CA-OG 3.25Å; C147-S150 WeakPolarHBondContact CA-OG 3.24Å; C147-S150 WeakPolarHBondContact CB-OG 3.26Å; C147-S150 PolarHBondContact O-N 3.32Å; C147-S150 VanDerWaalsContact O-O 3.05Å; C147-S150 PolarHBondContact O-OG 3.23Å; C147-C162 WeakPolarHBondContact CA-SG 3.46Å; C147-C162 HydrophobicContact CB-CB 3.88Å; C147-C162 WeakPolarHBondContact CB-SG 3.12Å; C147-C162 WeakPolarHBondContact SG-CB 3.44Å; C147-C162 CovalentContact SG-SG 2.03Å; C147-C162 PolarHBondContact SG-SG 2.77Å | ||
| 148 | K | 65.9 | Low | 49.8 | Very low | 157 Ų | 157 | 77.4 Ų | 77.4 | 68% | 0.683 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -68.6 | -168.9 | -171.1 | 178.2 | -177.1 | 177.9 | 0 | 114.5 | L146 S150 K174 | L146-K148 PolarHBondContact O-N 2.74Å; K148-S150 VanDerWaalsContact C-N 3.3Å; K148-S150 PolarHBondContact O-N 2.72Å; K148-K174 HydrophobicContact CB-CG 4.39Å |
| 149 | S | 68 | Low | 50.2 | Low | 22 Ų | 22 | 74.6 Ų | 74.6 | 15% | 0.154 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 45.9 | -177.5 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | D165 W168 | S149-D165 VanDerWaalsContact O-CB 3.27Å; S149-D165 WeakPolarHBondContact O-CB 3.21Å; S149-D165 VanDerWaalsContact O-CG 3.31Å; S149-D165 PolarHBondContact O-N 2.87Å; S149-W168 VanDerWaalsContact CB-CD2 3.43Å; S149-W168 VanDerWaalsContact CB-CE2 3.44Å; S149-W168 VanDerWaalsContact OG-CZ2 3.26Å; S149-W168 WeakPolarHBondContact OG-CZ2 3.49Å |
| 150 | S | 65.9 | Low | 51 | Low | 17 Ų | 17 | 76.3 Ų | 76.3 | 12% | 0.119 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 169 | -165.3 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | C147 K148 R163 C173 | C147-S150 VanDerWaalsContact CA-OG 3.25Å; C147-S150 WeakPolarHBondContact CA-OG 3.24Å; C147-S150 WeakPolarHBondContact CB-OG 3.26Å; C147-S150 PolarHBondContact O-N 3.32Å; C147-S150 VanDerWaalsContact O-O 3.05Å; C147-S150 PolarHBondContact O-OG 3.23Å; K148-S150 VanDerWaalsContact C-N 3.3Å; K148-S150 PolarHBondContact O-N 2.72Å; S150-R163 WeakPolarHBondContact CB-O 3.36Å; S150-C173 WeakPolarHBondContact CB-SG 3.49Å; S150-C173 WeakPolarHBondContact OG-CB 3.09Å; S150-C173 PolarHBondContact OG-SG 3.45Å |
| 151 | K | 65.2 | Low | 51.9 | Low | 143 Ų | 143 | 78.1 Ų | 78.1 | 62% | 0.622 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 138.1 | 171.9 | -64.5 | 178.9 | -176.1 | 179.7 | 0 | 110 | E153 R163 | K151-E153 PolarHBondContact O-N 3.16Å; K151-R163 PolarHBondContact N-O 3.37Å; K151-R163 PolarHBondContact O-N 2.87Å |
| 152 | L | 58.8 | Low | 53.3 | Low | 57 Ų | 57 | 75.9 Ų | 75.9 | 30% | 0.298 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 117 | 169.8 | -171.8 | 77.7 | 0 | 0 | 0 | 108.1 | V143 R160 | V143-L152 HydrophobicContact CB-CD2 3.97Å; V143-L152 HydrophobicContact CG1-CD1 3.88Å; V143-L152 HydrophobicContact CG1-CD2 3.4Å; V143-L152 VanDerWaalsContact CG1-CD2 3.4Å; V143-L152 HydrophobicContact CG1-CG 4.17Å; L152-R160 HydrophobicContact CD1-CB 4.3Å |
| 153 | E | 54.5 | Low | 54.9 | Low | 93 Ų | 93 | 80 Ų | 80 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -41.5 | -173.5 | -158.4 | -175.6 | -162.4 | 0 | 0 | 111.7 | K151 R163 | K151-E153 PolarHBondContact O-N 3.16Å; E153-R163 HydrophobicContact CB-CB 3.85Å; E153-R163 VanDerWaalsContact CD-CD 3.48Å; E153-R163 HydrophobicContact CG-CB 4.32Å; E153-R163 WeakPolarHBondContact OE1-CD 3.48Å; E153-R163 IonicContact OE1-CZ 2.66Å; E153-R163 IonicContact OE1-NE 3.77Å; E153-R163 IonicContact OE1-NH1 3.57Å; E153-R163 PolarHBondContact OE1-NH1 3.07Å; E153-R163 WeakPolarHBondContact OE2-CB 3.44Å; E153-R163 WeakPolarHBondContact OE2-CD 3.49Å |
| 154 | H | 48.5 | Very low | 56.7 | Low | 103 Ų | 103 | 80.6 Ų | 80.6 | 48% | 0.477 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 122.1 | -178.5 | -71.9 | 66.8 | 0 | 0 | 0 | 110.3 | K161 | H154-K161 PolarHBondContact O-N 3.1Å |
| 155 | C | 47.9 | Very low | 58.6 | Low | 31 Ų | 31 | 75.7 Ų | 75.7 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 91.5 | 153.3 | -2.6 | 0 | 0 | 0 | 0 | 107.3 | C136 | C136-C155 WeakPolarHBondContact CB-SG 3.3Å; C136-C155 WeakPolarHBondContact SG-CB 3.34Å; C136-C155 CovalentContact SG-SG 2.04Å; C136-C155 PolarHBondContact SG-SG 2.99Å |
| 156 | N | 43.7 | Very low | 60.2 | Low | 91 Ų | 91 | 76.4 Ų | 76.4 | 49% | 0.487 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 159.7 | 170.4 | -97.7 | 11.2 | 0 | 0 | 0 | 110 | D158 G159 | N156-D158 PolarHBondContact O-N 3.18Å; N156-D158 VanDerWaalsContact O-N 3.11Å; N156-G159 PolarHBondContact O-N 3.19Å |
| 157 | P | 43.5 | Very low | 61.5 | Low | 89 Ų | 89 | 76.3 Ų | 76.3 | 58% | 0.578 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -26.1 | 177 | 19.3 | -30.7 | 0 | 0 | 0 | 113.9 | G159 | P157-G159 PolarHBondContact O-N 2.92Š|
| 158 | D | 42.3 | Very low | 62.7 | Low | 144 Ų | 144 | 79.9 Ų | 79.9 | 77% | 0.77 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -5.2 | 177.8 | -63.1 | -39.9 | 0 | 0 | 0 | 114.3 | N156 | N156-D158 PolarHBondContact O-N 3.18Å; N156-D158 VanDerWaalsContact O-N 3.11Å |
| 159 | G | 48.2 | Very low | 63.2 | Low | 30 Ų | 30 | 74.5 Ų | 74.5 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 127.9 | 163.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N156 P157 | N156-G159 PolarHBondContact O-N 3.19Å; P157-G159 PolarHBondContact O-N 2.92Å |
| 160 | R | 55.6 | Low | 63.2 | Low | 78 Ų | 78 | 75 Ų | 75 | 29% | 0.294 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 123.4 | 179.7 | -65.9 | 171.5 | -67.2 | 173.1 | 11.3 | 109.2 | H46 L152 | H46-R160 VanDerWaalsContact CD2-CZ 3.48Å; H46-R160 PolarHBondContact CD2-NH1 3.34Å; H46-R160 PolarHBondContact CD2-NH2 3.09Å; H46-R160 PolarHBondContact NE2-NH2 2.8Å; L152-R160 HydrophobicContact CD1-CB 4.3Å |
| 161 | K | 59.1 | Low | 63.1 | Low | 159 Ų | 159 | 78.5 Ų | 78.5 | 69% | 0.691 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.4 | 175.8 | -170 | 177 | -179.6 | -177.9 | 0 | 109.9 | H154 | H154-K161 PolarHBondContact O-N 3.1Å |
| 162 | C | 67.6 | Low | 63.2 | Low | 11 Ų | 11 | 74.2 Ų | 74.2 | 7% | 0.074 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 140.8 | 171.3 | -55.2 | 0 | 0 | 0 | 0 | 109.6 | C147 P171 C173 | C147-C162 WeakPolarHBondContact CA-SG 3.46Å; C147-C162 HydrophobicContact CB-CB 3.88Å; C147-C162 WeakPolarHBondContact CB-SG 3.12Å; C147-C162 WeakPolarHBondContact SG-CB 3.44Å; C147-C162 CovalentContact SG-SG 2.03Å; C147-C162 PolarHBondContact SG-SG 2.77Å; C162-P171 PolarHBondContact SG-O 2.9Å; C162-P171 VanDerWaalsContact SG-O 3.38Å; C162-C173 WeakPolarHBondContact CB-SG 3.38Å |
| 163 | R | 74.4 | Confident | 63.6 | Low | 129 Ų | 129 | 71.5 Ų | 71.5 | 49% | 0.487 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 106.6 | 164.6 | -178.9 | 176.4 | 61.8 | -174.1 | 8.2 | 108.6 | S150 K151 E153 | S150-R163 WeakPolarHBondContact CB-O 3.36Å; K151-R163 PolarHBondContact N-O 3.37Å; K151-R163 PolarHBondContact O-N 2.87Å; E153-R163 HydrophobicContact CB-CB 3.85Å; E153-R163 VanDerWaalsContact CD-CD 3.48Å; E153-R163 HydrophobicContact CG-CB 4.32Å; E153-R163 WeakPolarHBondContact OE1-CD 3.48Å; E153-R163 IonicContact OE1-CZ 2.66Å; E153-R163 IonicContact OE1-NE 3.77Å; E153-R163 IonicContact OE1-NH1 3.57Å; E153-R163 PolarHBondContact OE1-NH1 3.07Å; E153-R163 WeakPolarHBondContact OE2-CB 3.44Å; E153-R163 WeakPolarHBondContact OE2-CD 3.49Å |
| 164 | C | 78.7 | Confident | 64.5 | Low | 40 Ų | 40 | 72 Ų | 72 | 27% | 0.27 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 139.1 | -177.2 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | W168 C173 | C164-W168 HydrophobicContact CB-CB 4.07Å; C164-W168 WeakPolarHBondContact CB-O 3.05Å; C164-C173 WeakPolarHBondContact CA-SG 3.1Å; C164-C173 HydrophobicContact CB-CB 3.72Å; C164-C173 WeakPolarHBondContact CB-SG 3.48Å; C164-C173 PolarHBondContact N-SG 2.89Å; C164-C173 VanDerWaalsContact N-SG 3.37Å; C164-C173 VanDerWaalsContact SG-CA 3.57Å; C164-C173 WeakPolarHBondContact SG-CB 3.1Å; C164-C173 CovalentContact SG-SG 2.03Å; C164-C173 PolarHBondContact SG-SG 3Å |
| 165 | D | 82.6 | Confident | 65.7 | Low | 83 Ų | 83 | 72.7 Ų | 72.7 | 44% | 0.444 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 159.3 | 165.4 | -64.6 | -29 | 0 | 0 | 0 | 109.4 | S149 G167 W168 | S149-D165 VanDerWaalsContact O-CB 3.27Å; S149-D165 WeakPolarHBondContact O-CB 3.21Å; S149-D165 VanDerWaalsContact O-CG 3.31Å; S149-D165 PolarHBondContact O-N 2.87Å; D165-G167 PolarHBondContact O-N 3.19Å; D165-W168 PolarHBondContact O-N 2.92Å |
| 166 | A | 82.5 | Confident | 67.1 | Low | 104 Ų | 104 | 76 Ų | 76 | 86% | 0.86 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 132.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 167 | G | 82 | Confident | 69 | Low | 17 Ų | 17 | 76 Ų | 76 | 18% | 0.175 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | 8.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | D165 E177 | D165-G167 PolarHBondContact O-N 3.19Å; G167-E177 PolarHBondContact O-N 2.88Å |
| 168 | W | 81.8 | Confident | 70.8 | Confident | 79 Ų | 79 | 74.8 Ų | 74.8 | 30% | 0.299 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 147.4 | 175.2 | -62.7 | 88 | 0 | 0 | 0 | 111.6 | S149 C164 D165 C173 E175 | S149-W168 VanDerWaalsContact CB-CD2 3.43Å; S149-W168 VanDerWaalsContact CB-CE2 3.44Å; S149-W168 VanDerWaalsContact OG-CZ2 3.26Å; S149-W168 WeakPolarHBondContact OG-CZ2 3.49Å; C164-W168 HydrophobicContact CB-CB 4.07Å; C164-W168 WeakPolarHBondContact CB-O 3.05Å; D165-W168 PolarHBondContact O-N 2.92Å; W168-C173 HydrophobicContact CB-CB 4.37Å; W168-E175 CarbonylContact C-O 3.54Å; W168-E175 VanDerWaalsContact CA-O 3.3Å; W168-E175 WeakPolarHBondContact CA-O 3.35Å |
| 169 | E | 76.2 | Confident | 72.8 | Confident | 45 Ų | 45 | 72.1 Ų | 72.1 | 21% | 0.21 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 177.4 | 177.9 | 75 | 176.8 | 162.7 | 0 | 0 | 113.2 | C173 E175 N178 K181 | E169-C173 VanDerWaalsContact O-CA 3.28Å; E169-C173 WeakPolarHBondContact O-CA 3.21Å; E169-E175 HydrophobicContact CG-CB 4.19Å; E169-E175 PolarHBondContact N-O 3.45Å; E169-E175 PolarHBondContact O-N 3.02Å; E169-N178 VanDerWaalsContact OE1-CB 3.24Å; E169-N178 WeakPolarHBondContact OE1-CB 3.27Å; E169-N178 PolarHBondContact OE1-N 3.06Å; E169-K181 IonicContact OE1-NZ 2.92Å; E169-K181 PolarHBondContact OE1-NZ 3.36Å; E169-K181 IonicContact OE2-NZ 2.77Å; E169-K181 PolarHBondContact OE2-NZ 2.91Å |
| 170 | G | 67.9 | Low | 74.5 | Confident | 31 Ų | 31 | 71.6 Ų | 71.6 | 32% | 0.32 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 94.5 | 167.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F172 C173 | G170-F172 PolarHBondContact O-N 3.24Å; G170-F172 VanDerWaalsContact O-N 3.15Å; G170-C173 PolarHBondContact O-N 3.38Å |
| 171 | P | 63.7 | Low | 75.7 | Confident | 92 Ų | 92 | 74.4 Ų | 74.4 | 60% | 0.597 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -26.8 | -175.8 | 23.4 | -33 | 0 | 0 | 0 | 113.3 | C162 | C162-P171 PolarHBondContact SG-O 2.9Å; C162-P171 VanDerWaalsContact SG-O 3.38Å |
| 172 | F | 67 | Low | 76.6 | Confident | 53 Ų | 53 | 75.5 Ų | 75.5 | 23% | 0.232 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 7.7 | -178.3 | -60.3 | -61.8 | 0 | 0 | 0 | 113.9 | L146 G170 K174 | L146-F172 HydrophobicContact CB-CD1 4Å; L146-F172 HydrophobicContact CB-CE1 4.28Å; L146-F172 HydrophobicContact CD1-CE1 4.39Å; G170-F172 PolarHBondContact O-N 3.24Å; G170-F172 VanDerWaalsContact O-N 3.15Å; F172-K174 HydrophobicContact CB-CD 4.36Å; F172-K174 HydrophobicContact CB-CG 4.14Å; F172-K174 PolarHBondContact O-N 3.26Å |
| 173 | C | 68.9 | Low | 76.6 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 41% | 0.409 | C | S | . | . | S | Bend | trans | 53.6 | 37.1 | 179.8 | -48.5 | 0 | 0 | 0 | 0 | 113.5 | S150 C162 C164 W168 E169 G170 | S150-C173 WeakPolarHBondContact CB-SG 3.49Å; S150-C173 WeakPolarHBondContact OG-CB 3.09Å; S150-C173 PolarHBondContact OG-SG 3.45Å; C162-C173 WeakPolarHBondContact CB-SG 3.38Å; C164-C173 WeakPolarHBondContact CA-SG 3.1Å; C164-C173 HydrophobicContact CB-CB 3.72Å; C164-C173 WeakPolarHBondContact CB-SG 3.48Å; C164-C173 PolarHBondContact N-SG 2.89Å; C164-C173 VanDerWaalsContact N-SG 3.37Å; C164-C173 VanDerWaalsContact SG-CA 3.57Å; C164-C173 WeakPolarHBondContact SG-CB 3.1Å; C164-C173 CovalentContact SG-SG 2.03Å; C164-C173 PolarHBondContact SG-SG 3Å; W168-C173 HydrophobicContact CB-CB 4.37Å; E169-C173 VanDerWaalsContact O-CA 3.28Å; E169-C173 WeakPolarHBondContact O-CA 3.21Å; G170-C173 PolarHBondContact O-N 3.38Å |
| 174 | K | 72.5 | Confident | 76.8 | Confident | 103 Ų | 103 | 77.9 Ų | 77.9 | 45% | 0.448 | 41% | 0.408 | S | S | . | . | trans | -95.7 | -14.5 | 177 | -66.9 | -175.3 | 179.6 | -176.7 | 0 | 112.2 | K148 F172 | K148-K174 HydrophobicContact CB-CG 4.39Å; F172-K174 HydrophobicContact CB-CD 4.36Å; F172-K174 HydrophobicContact CB-CG 4.14Å; F172-K174 PolarHBondContact O-N 3.26Å | ||
| 175 | E | 73.6 | Confident | 77.1 | Confident | 118 Ų | 118 | 76.9 Ų | 76.9 | 55% | 0.551 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 148.1 | 179.5 | -63.6 | 173.1 | -171.4 | 0 | 0 | 110 | W168 E169 | W168-E175 CarbonylContact C-O 3.54Å; W168-E175 VanDerWaalsContact CA-O 3.3Å; W168-E175 WeakPolarHBondContact CA-O 3.35Å; E169-E175 HydrophobicContact CG-CB 4.19Å; E169-E175 PolarHBondContact N-O 3.45Å; E169-E175 PolarHBondContact O-N 3.02Å |
| 176 | R | 78.1 | Confident | 77.2 | Confident | 101 Ų | 101 | 74.2 Ų | 74.2 | 38% | 0.381 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 139.3 | 171.8 | -60 | -63.6 | -69.7 | -76.4 | 4.9 | 108.6 | N178 D195 E196 | R176-N178 PolarHBondContact O-N 2.74Å; R176-N178 VanDerWaalsContact O-N 3.07Å; R176-D195 PolarHBondContact NH1-O 2.77Å; R176-E196 VanDerWaalsContact NH2-C 3.26Å; R176-E196 PolarHBondContact NH2-O 3.11Å |
| 177 | E | 83.5 | Confident | 77.3 | Confident | 89 Ų | 89 | 74.3 Ų | 74.3 | 42% | 0.416 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 118.4 | 174.8 | -175.7 | -175.4 | 175.1 | 0 | 0 | 109.8 | G167 K179 | G167-E177 PolarHBondContact O-N 2.88Å; E177-K179 VanDerWaalsContact C-N 3.31Å; E177-K179 PolarHBondContact O-N 3.19Å |
| 178 | N | 81.6 | Confident | 77.4 | Confident | 65 Ų | 65 | 75.5 Ų | 75.5 | 35% | 0.348 | 39% | 0.386 | S | S | . | . | trans | -73.1 | 88.4 | 177.3 | -175.5 | -11.5 | 0 | 0 | 0 | 110.3 | E169 R176 C180 K181 | E169-N178 VanDerWaalsContact OE1-CB 3.24Å; E169-N178 WeakPolarHBondContact OE1-CB 3.27Å; E169-N178 PolarHBondContact OE1-N 3.06Å; R176-N178 PolarHBondContact O-N 2.74Å; R176-N178 VanDerWaalsContact O-N 3.07Å; N178-C180 PolarHBondContact O-N 3.39Å; N178-C180 WeakPolarHBondContact OD1-CA 3.46Å; N178-C180 WeakPolarHBondContact OD1-CB 3.48Å; N178-C180 PolarHBondContact OD1-N 2.9Å; N178-K181 HydrophobicContact CB-CD 4.09Å; N178-K181 HydrophobicContact CB-CG 4.12Å; N178-K181 WeakPolarHBondContact O-CB 3.47Å; N178-K181 WeakPolarHBondContact O-CG 3.41Å; N178-K181 PolarHBondContact O-N 3.23Å | ||
| 179 | K | 83.2 | Confident | 77.7 | Confident | 88 Ų | 88 | 72.4 Ų | 72.4 | 38% | 0.383 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -63.8 | -17.7 | 176.9 | -66 | 178.8 | -174.3 | 163.2 | 0 | 113 | E177 K181 K182 M193 G197 A199 | E177-K179 VanDerWaalsContact C-N 3.31Å; E177-K179 PolarHBondContact O-N 3.19Å; K179-K181 PolarHBondContact O-N 2.92Å; K179-K182 PolarHBondContact O-N 2.03Å; K179-M193 HydrophobicContact CB-CE 4Å; K179-M193 HydrophobicContact CB-SD 3.87Å; K179-M193 HydrophobicContact CD-CE 4.34Å; K179-M193 HydrophobicContact CG-CE 4.17Å; K179-G197 WeakPolarHBondContact CD-O 3.41Å; K179-G197 VanDerWaalsContact CE-O 3.26Å; K179-G197 WeakPolarHBondContact CE-O 3.34Å; K179-G197 PolarHBondContact NZ-O 2.98Å; K179-A199 HydrophobicContact CB-CB 3.82Å |
| 180 | C | 83.4 | Confident | 78.4 | Confident | 18 Ų | 18 | 75.4 Ų | 75.4 | 12% | 0.122 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -67.7 | -19.5 | 172.1 | -66.3 | 0 | 0 | 0 | 0 | 113.2 | N178 K182 N183 C191 | N178-C180 PolarHBondContact O-N 3.39Å; N178-C180 WeakPolarHBondContact OD1-CA 3.46Å; N178-C180 WeakPolarHBondContact OD1-CB 3.48Å; N178-C180 PolarHBondContact OD1-N 2.9Å; C180-K182 PolarHBondContact O-N 3.08Å; C180-K182 VanDerWaalsContact O-N 3.12Å; C180-N183 PolarHBondContact O-N 3.38Å; C180-N183 PolarHBondContact O-OD1 3.47Å; C180-C191 WeakPolarHBondContact CA-SG 3.43Å; C180-C191 HydrophobicContact CB-CB 3.57Å; C180-C191 WeakPolarHBondContact CB-SG 3.28Å; C180-C191 WeakPolarHBondContact SG-CB 3.23Å; C180-C191 CovalentContact SG-SG 2.03Å; C180-C191 PolarHBondContact SG-SG 3.37Å |
| 181 | K | 81.3 | Confident | 79.3 | Confident | 137 Ų | 137 | 75.5 Ų | 75.5 | 60% | 0.596 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -58.2 | -25.4 | 173.3 | -72 | 172.3 | 179.8 | 158.8 | 0 | 113 | E169 N178 K179 N183 | E169-K181 IonicContact OE1-NZ 2.92Å; E169-K181 PolarHBondContact OE1-NZ 3.36Å; E169-K181 IonicContact OE2-NZ 2.77Å; E169-K181 PolarHBondContact OE2-NZ 2.91Å; N178-K181 HydrophobicContact CB-CD 4.09Å; N178-K181 HydrophobicContact CB-CG 4.12Å; N178-K181 WeakPolarHBondContact O-CB 3.47Å; N178-K181 WeakPolarHBondContact O-CG 3.41Å; N178-K181 PolarHBondContact O-N 3.23Å; K179-K181 PolarHBondContact O-N 2.92Å; K181-N183 PolarHBondContact O-N 3.27Å |
| 182 | K | 77.1 | Confident | 80.5 | Confident | 182 Ų | 182 | 75 Ų | 75 | 79% | 0.791 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -77.3 | -7.4 | 177.1 | -158.8 | 170.1 | 179.3 | 180 | 0 | 113.2 | K179 C180 S184 | K179-K182 PolarHBondContact O-N 2.03Å; C180-K182 PolarHBondContact O-N 3.08Å; C180-K182 VanDerWaalsContact O-N 3.12Å; K182-S184 PolarHBondContact O-N 3.02Å |
| 183 | N | 68.7 | Low | 81.4 | Confident | 124 Ų | 124 | 75.6 Ų | 75.6 | 66% | 0.663 | 39% | 0.386 | S | S | * | . | trans | 42.8 | 59.3 | 174 | -82.9 | -13.9 | 0 | 0 | 0 | 114.1 | C180 K181 C185 | C180-N183 PolarHBondContact O-N 3.38Å; C180-N183 PolarHBondContact O-OD1 3.47Å; K181-N183 PolarHBondContact O-N 3.27Å; N183-C185 VanDerWaalsContact C-N 3.31Å | ||
| 184 | S | 78.5 | Confident | 82 | Confident | 66 Ų | 66 | 78.6 Ų | 78.6 | 46% | 0.462 | 40% | 0.402 | S | S | . | . | trans | -73.8 | -23.5 | 172.5 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | K182 | K182-S184 PolarHBondContact O-N 3.02Š| ||
| 185 | C | 84.7 | Confident | 82.3 | Confident | 20 Ų | 20 | 81.5 Ų | 81.5 | 14% | 0.135 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -70.8 | 136.4 | 177.6 | -51 | 0 | 0 | 0 | 0 | 110.6 | N183 C191 C201 | N183-C185 VanDerWaalsContact C-N 3.31Å; C185-C191 VanDerWaalsContact SG-CB 3.57Å; C185-C201 WeakPolarHBondContact CA-SG 3.49Å; C185-C201 HydrophobicContact CB-CB 3.89Å; C185-C201 WeakPolarHBondContact CB-SG 3.43Å; C185-C201 VanDerWaalsContact SG-CA 3.54Å; C185-C201 WeakPolarHBondContact SG-CB 3.04Å; C185-C201 CovalentContact SG-SG 2.02Å; C185-C201 PolarHBondContact SG-SG 3.35Å |
| 186 | S | 84.5 | Confident | 82.6 | Confident | 27 Ų | 27 | 82.5 Ų | 82.5 | 19% | 0.189 | 43% | 0.428 | C | S | . | . | trans | -58.4 | 163.6 | 167 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | N188 G189 E211 C212 | S186-N188 PolarHBondContact O-N 3.46Å; S186-N188 PolarHBondContact OG-ND2 3.43Å; S186-G189 PolarHBondContact O-N 2.68Å; S186-E211 WeakPolarHBondContact CB-O 3.27Å; S186-E211 PolarHBondContact N-O 2.89Å; S186-C212 WeakPolarHBondContact CB-O 3.46Å | ||
| 187 | S | 85 | Confident | 82.6 | Confident | 106 Ų | 106 | 77.9 Ų | 77.9 | 74% | 0.741 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -11.4 | 171.7 | 57 | 0 | 0 | 0 | 0 | 113.5 | G189 | S187-G189 VanDerWaalsContact C-N 3.34Š|
| 188 | N | 84.5 | Confident | 82.6 | Confident | 41 Ų | 41 | 78.9 Ų | 78.9 | 22% | 0.219 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 15.8 | 177.9 | -53.6 | -65.3 | 0 | 0 | 0 | 113.3 | S186 L204 S207 L235 | S186-N188 PolarHBondContact O-N 3.46Å; S186-N188 PolarHBondContact OG-ND2 3.43Å; N188-L204 VanDerWaalsContact O-CB 3.31Å; N188-L204 WeakPolarHBondContact O-CB 3.11Å; N188-L204 WeakPolarHBondContact O-CG 3.25Å; N188-L204 PolarHBondContact O-N 3.09Å; N188-S207 PolarHBondContact O-OG 3.04Å; N188-L235 HydrophobicContact CB-CD2 4.11Å; N188-L235 WeakPolarHBondContact ND2-CD2 3.23Å |
| 189 | G | 88 | Confident | 82.8 | Confident | 15 Ų | 15 | 78.1 Ų | 78.1 | 16% | 0.155 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 159.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S186 S187 A202 | S186-G189 PolarHBondContact O-N 2.68Å; S187-G189 VanDerWaalsContact C-N 3.34Å; G189-A202 CarbonylContact C-O 3.5Å; G189-A202 VanDerWaalsContact CA-O 3.22Å; G189-A202 WeakPolarHBondContact CA-O 3.15Å |
| 190 | I | 89.5 | Confident | 83.1 | Confident | 108 Ų | 108 | 76.7 Ų | 76.7 | 55% | 0.554 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.9 | 173.9 | -58.7 | 173.9 | 0 | 0 | 0 | 107.6 | I192 A202 | I190-I192 HydrophobicContact CG2-CG2 4.33Å; I190-I192 PolarHBondContact O-N 3.17Å; I190-A202 PolarHBondContact N-O 2.99Å; I190-A202 PolarHBondContact O-N 3.15Å |
| 191 | C | 87.1 | Confident | 83.5 | Confident | 32 Ų | 32 | 77.2 Ų | 77.2 | 22% | 0.216 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 126.6 | 173.7 | -171.9 | 0 | 0 | 0 | 0 | 110 | C180 C185 S200 | C180-C191 WeakPolarHBondContact CA-SG 3.43Å; C180-C191 HydrophobicContact CB-CB 3.57Å; C180-C191 WeakPolarHBondContact CB-SG 3.28Å; C180-C191 WeakPolarHBondContact SG-CB 3.23Å; C180-C191 CovalentContact SG-SG 2.03Å; C180-C191 PolarHBondContact SG-SG 3.37Å; C185-C191 VanDerWaalsContact SG-CB 3.57Å; C191-S200 WeakPolarHBondContact CA-O 3.49Å |
| 192 | I | 88.9 | Confident | 83.9 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 142.2 | 178 | 59 | 170.2 | 0 | 0 | 0 | 109.4 | I190 A199 S200 A202 | I190-I192 HydrophobicContact CG2-CG2 4.33Å; I190-I192 PolarHBondContact O-N 3.17Å; I192-A199 WeakPolarHBondContact O-CA 3.44Å; I192-S200 WeakPolarHBondContact CG1-O 3.26Å; I192-S200 WeakPolarHBondContact CG1-OG 3.44Å; I192-S200 PolarHBondContact N-O 3.32Å; I192-S200 PolarHBondContact O-N 3.36Å; I192-A202 HydrophobicContact CD1-CB 4.21Å; I192-A202 HydrophobicContact CG2-CB 4.46Å |
| 193 | M | 86 | Confident | 84.5 | Confident | 65 Ų | 65 | 66.3 Ų | 66.3 | 32% | 0.32 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 134.3 | 174.4 | -64.9 | -70.3 | -67.5 | 0 | 0 | 108.8 | K179 G197 E198 A199 | K179-M193 HydrophobicContact CB-CE 4Å; K179-M193 HydrophobicContact CB-SD 3.87Å; K179-M193 HydrophobicContact CD-CE 4.34Å; K179-M193 HydrophobicContact CG-CE 4.17Å; M193-G197 VanDerWaalsContact CE-C 3.4Å; M193-G197 WeakPolarHBondContact CE-O 3.42Å; M193-E198 WeakPolarHBondContact CA-O 3.37Å; M193-A199 HydrophobicContact SD-CB 3.61Å |
| 194 | N | 82.1 | Confident | 85.4 | Confident | 63 Ų | 63 | 64.1 Ų | 64.1 | 34% | 0.337 | 38% | 0.377 | S | S | . | . | trans | -83.6 | 172 | 169.1 | 70.4 | 6.6 | 0 | 0 | 0 | 111.1 | E196 G197 E198 | N194-E196 PolarHBondContact O-N 3.11Å; N194-E196 WeakPolarHBondContact OD1-CA 3.31Å; N194-E196 WeakPolarHBondContact OD1-CB 3.37Å; N194-E196 PolarHBondContact OD1-N 3.36Å; N194-G197 PolarHBondContact O-N 3.2Å; N194-G197 PolarHBondContact OD1-N 3.37Å; N194-E198 PolarHBondContact N-O 3.17Å; N194-E198 WeakPolarHBondContact OD1-CB 3.12Å; N194-E198 PolarHBondContact OD1-N 2.95Å; N194-E198 PolarHBondContact OD1-O 3.03Å | ||
| 195 | D | 78.1 | Confident | 85.7 | Confident | 164 Ų | 164 | 66.6 Ų | 66.6 | 88% | 0.877 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26.4 | 178.6 | -62.1 | -33.8 | 0 | 0 | 0 | 112.5 | R176 G197 | R176-D195 PolarHBondContact NH1-O 2.77Å; D195-G197 PolarHBondContact O-N 3.44Å |
| 196 | E | 80.7 | Confident | 85.8 | Confident | 140 Ų | 140 | 66.6 Ų | 66.6 | 65% | 0.654 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -2.7 | 174.9 | -60.3 | -176.3 | -179.8 | 0 | 0 | 113 | R176 N194 E198 | R176-E196 VanDerWaalsContact NH2-C 3.26Å; R176-E196 PolarHBondContact NH2-O 3.11Å; N194-E196 PolarHBondContact O-N 3.11Å; N194-E196 WeakPolarHBondContact OD1-CA 3.31Å; N194-E196 WeakPolarHBondContact OD1-CB 3.37Å; N194-E196 PolarHBondContact OD1-N 3.36Å; E196-E198 HydrophobicContact CB-CG 4.5Å |
| 197 | G | 77.4 | Confident | 85.9 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | S | Bend | trans | 73.7 | 24.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K179 M193 N194 D195 | K179-G197 WeakPolarHBondContact CD-O 3.41Å; K179-G197 VanDerWaalsContact CE-O 3.26Å; K179-G197 WeakPolarHBondContact CE-O 3.34Å; K179-G197 PolarHBondContact NZ-O 2.98Å; M193-G197 VanDerWaalsContact CE-C 3.4Å; M193-G197 WeakPolarHBondContact CE-O 3.42Å; N194-G197 PolarHBondContact O-N 3.2Å; N194-G197 PolarHBondContact OD1-N 3.37Å; D195-G197 PolarHBondContact O-N 3.44Å |
| 198 | E | 83.4 | Confident | 86.2 | Confident | 110 Ų | 110 | 63.8 Ų | 63.8 | 51% | 0.514 | 37% | 0.373 | S | S | . | . | trans | -92.4 | 139.1 | 169.6 | -55.3 | -169.2 | 145.4 | 0 | 0 | 110.3 | M193 N194 E196 | M193-E198 WeakPolarHBondContact CA-O 3.37Å; N194-E198 PolarHBondContact N-O 3.17Å; N194-E198 WeakPolarHBondContact OD1-CB 3.12Å; N194-E198 PolarHBondContact OD1-N 2.95Å; N194-E198 PolarHBondContact OD1-O 3.03Å; E196-E198 HydrophobicContact CB-CG 4.5Å | ||
| 199 | A | 87.3 | Confident | 86.4 | Confident | 48 Ų | 48 | 63 Ų | 63 | 40% | 0.397 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | K179 I192 M193 | K179-A199 HydrophobicContact CB-CB 3.82Å; I192-A199 WeakPolarHBondContact O-CA 3.44Å; M193-A199 HydrophobicContact SD-CB 3.61Å |
| 200 | S | 89 | Confident | 86.4 | Confident | 58 Ų | 58 | 68.3 Ų | 68.3 | 41% | 0.406 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 159.3 | 171.4 | 59.5 | 0 | 0 | 0 | 0 | 110.4 | C191 I192 | C191-S200 WeakPolarHBondContact CA-O 3.49Å; I192-S200 WeakPolarHBondContact CG1-O 3.26Å; I192-S200 WeakPolarHBondContact CG1-OG 3.44Å; I192-S200 PolarHBondContact N-O 3.32Å; I192-S200 PolarHBondContact O-N 3.36Å |
| 201 | C | 90.7 | Very high | 86.4 | Confident | 29 Ų | 29 | 66.8 Ų | 66.8 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.7 | 179.1 | -55.3 | 0 | 0 | 0 | 0 | 110 | C185 T210 C212 | C185-C201 WeakPolarHBondContact CA-SG 3.49Å; C185-C201 HydrophobicContact CB-CB 3.89Å; C185-C201 WeakPolarHBondContact CB-SG 3.43Å; C185-C201 VanDerWaalsContact SG-CA 3.54Å; C185-C201 WeakPolarHBondContact SG-CB 3.04Å; C185-C201 CovalentContact SG-SG 2.02Å; C185-C201 PolarHBondContact SG-SG 3.35Å; C201-T210 WeakPolarHBondContact CB-O 3.2Å; C201-T210 PolarHBondContact SG-O 3.17Å; C201-C212 VanDerWaalsContact CB-SG 3.51Å |
| 202 | A | 91.1 | Very high | 86.5 | Confident | 42 Ų | 42 | 65.2 Ų | 65.2 | 35% | 0.347 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 106.8 | 165 | 0 | 0 | 0 | 0 | 0 | 108.6 | G189 I190 I192 | G189-A202 CarbonylContact C-O 3.5Å; G189-A202 VanDerWaalsContact CA-O 3.22Å; G189-A202 WeakPolarHBondContact CA-O 3.15Å; I190-A202 PolarHBondContact N-O 2.99Å; I190-A202 PolarHBondContact O-N 3.15Å; I192-A202 HydrophobicContact CD1-CB 4.21Å; I192-A202 HydrophobicContact CG2-CB 4.46Å |
| 203 | C | 88.9 | Confident | 86.4 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 32% | 0.324 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 139.9 | -176.2 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | S207 G209 C212 | C203-S207 WeakPolarHBondContact CB-O 3.4Å; C203-S207 WeakPolarHBondContact CB-OG 3.12Å; C203-G209 PolarHBondContact SG-O 2.66Å; C203-G209 VanDerWaalsContact SG-O 3.4Å; C203-C212 WeakPolarHBondContact CA-SG 3.5Å; C203-C212 HydrophobicContact CB-CB 3.76Å; C203-C212 WeakPolarHBondContact CB-SG 3.27Å; C203-C212 VanDerWaalsContact SG-CA 3.5Å; C203-C212 WeakPolarHBondContact SG-CB 3.42Å; C203-C212 CovalentContact SG-SG 2.04Å; C203-C212 PolarHBondContact SG-SG 3.33Å |
| 204 | L | 87.6 | Confident | 86.4 | Confident | 79 Ų | 79 | 69.7 Ų | 69.7 | 41% | 0.414 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 153.9 | 170.9 | -65.6 | 178.7 | 0 | 0 | 0 | 109.9 | N188 G206 S207 | N188-L204 VanDerWaalsContact O-CB 3.31Å; N188-L204 WeakPolarHBondContact O-CB 3.11Å; N188-L204 WeakPolarHBondContact O-CG 3.25Å; N188-L204 PolarHBondContact O-N 3.09Å; L204-G206 PolarHBondContact O-N 3.23Å; L204-S207 PolarHBondContact N-OG 3.41Å; L204-S207 PolarHBondContact O-N 2.68Å; L204-S207 PolarHBondContact O-OG 2.95Å |
| 205 | P | 85.8 | Confident | 86.6 | Confident | 117 Ų | 117 | 68 Ų | 68 | 76% | 0.76 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 134.7 | 174.6 | -25.9 | 34.5 | 0 | 0 | 0 | 111.8 | ||
| 206 | G | 85.4 | Confident | 87.1 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 22% | 0.216 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 4.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L204 D215 S216 L235 R236 | L204-G206 PolarHBondContact O-N 3.23Å; G206-D215 VanDerWaalsContact O-OD1 3.09Å; G206-S216 WeakPolarHBondContact CA-OG 3.39Å; G206-L235 WeakPolarHBondContact O-CD1 2.94Å; G206-R236 WeakPolarHBondContact O-CG 3.05Å |
| 207 | S | 88.3 | Confident | 87.3 | Confident | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 151.3 | 177.8 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | N188 C203 L204 E214 | N188-S207 PolarHBondContact O-OG 3.04Å; C203-S207 WeakPolarHBondContact CB-O 3.4Å; C203-S207 WeakPolarHBondContact CB-OG 3.12Å; L204-S207 PolarHBondContact N-OG 3.41Å; L204-S207 PolarHBondContact O-N 2.68Å; L204-S207 PolarHBondContact O-OG 2.95Å; S207-E214 CarbonylContact C-O 3.54Å; S207-E214 VanDerWaalsContact CA-O 3.31Å; S207-E214 WeakPolarHBondContact CA-O 3.3Å |
| 208 | T | 89.6 | Confident | 87.7 | Confident | 61 Ų | 61 | 66.3 Ų | 66.3 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 178.2 | -176.3 | -164.9 | 0 | 0 | 0 | 0 | 112.1 | C212 K213 E214 D215 | T208-C212 CarbonylContact O-C 3.54Å; T208-C212 VanDerWaalsContact O-CA 3.23Å; T208-C212 WeakPolarHBondContact O-CA 2.9Å; T208-K213 PolarHBondContact O-N 3.48Å; T208-E214 HydrophobicContact CG2-CB 3.62Å; T208-E214 PolarHBondContact N-O 3.42Å; T208-E214 WeakPolarHBondContact O-CB 3.48Å; T208-E214 PolarHBondContact O-N 2.85Å; T208-E214 VanDerWaalsContact O-N 3.14Å; T208-D215 WeakPolarHBondContact CG2-O 3.47Å |
| 209 | G | 88.4 | Confident | 87.8 | Confident | 25 Ų | 25 | 63.4 Ų | 63.4 | 26% | 0.258 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 169.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C203 E211 C212 | C203-G209 PolarHBondContact SG-O 2.66Å; C203-G209 VanDerWaalsContact SG-O 3.4Å; G209-E211 PolarHBondContact O-N 3.23Å; G209-C212 PolarHBondContact O-N 3.24Å |
| 210 | T | 88.4 | Confident | 88 | Confident | 127 Ų | 127 | 62.2 Ų | 62.2 | 78% | 0.779 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -24.1 | -175.2 | 51 | 0 | 0 | 0 | 0 | 113.8 | C201 | C201-T210 WeakPolarHBondContact CB-O 3.2Å; C201-T210 PolarHBondContact SG-O 3.17Å |
| 211 | E | 89.2 | Confident | 87.9 | Confident | 75 Ų | 75 | 66.4 Ų | 66.4 | 35% | 0.35 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 6.4 | 178.4 | -62.9 | -174.2 | 166.8 | 0 | 0 | 113.1 | S186 G209 K213 | S186-E211 WeakPolarHBondContact CB-O 3.27Å; S186-E211 PolarHBondContact N-O 2.89Å; G209-E211 PolarHBondContact O-N 3.23Å; E211-K213 HydrophobicContact CB-CD 4.08Å; E211-K213 HydrophobicContact CB-CG 4.06Å; E211-K213 PolarHBondContact O-N 3.14Å; E211-K213 WeakPolarHBondContact OE2-CD 3.19Å; E211-K213 WeakPolarHBondContact OE2-CE 3.49Å; E211-K213 IonicContact OE2-NZ 2.64Å; E211-K213 PolarHBondContact OE2-NZ 2.85Å |
| 212 | C | 89.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 37.8 | -176.7 | -46.1 | 0 | 0 | 0 | 0 | 113.3 | S186 C201 C203 T208 G209 | S186-C212 WeakPolarHBondContact CB-O 3.46Å; C201-C212 VanDerWaalsContact CB-SG 3.51Å; C203-C212 WeakPolarHBondContact CA-SG 3.5Å; C203-C212 HydrophobicContact CB-CB 3.76Å; C203-C212 WeakPolarHBondContact CB-SG 3.27Å; C203-C212 VanDerWaalsContact SG-CA 3.5Å; C203-C212 WeakPolarHBondContact SG-CB 3.42Å; C203-C212 CovalentContact SG-SG 2.04Å; C203-C212 PolarHBondContact SG-SG 3.33Å; T208-C212 CarbonylContact O-C 3.54Å; T208-C212 VanDerWaalsContact O-CA 3.23Å; T208-C212 WeakPolarHBondContact O-CA 2.9Å; G209-C212 PolarHBondContact O-N 3.24Å |
| 213 | K | 87.4 | Confident | 87.5 | Confident | 123 Ų | 123 | 72.8 Ų | 72.8 | 54% | 0.535 | 40% | 0.398 | S | S | . | . | trans | -101.6 | -13.1 | 178.7 | -70.6 | 180 | -179 | 167.3 | 0 | 112.8 | T208 E211 | T208-K213 PolarHBondContact O-N 3.48Å; E211-K213 HydrophobicContact CB-CD 4.08Å; E211-K213 HydrophobicContact CB-CG 4.06Å; E211-K213 PolarHBondContact O-N 3.14Å; E211-K213 WeakPolarHBondContact OE2-CD 3.19Å; E211-K213 WeakPolarHBondContact OE2-CE 3.49Å; E211-K213 IonicContact OE2-NZ 2.64Å; E211-K213 PolarHBondContact OE2-NZ 2.85Å | ||
| 214 | E | 85.8 | Confident | 87.5 | Confident | 118 Ų | 118 | 74.4 Ų | 74.4 | 55% | 0.551 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 147.6 | -178.5 | -61.2 | 169.4 | -165.9 | 0 | 0 | 108.8 | S207 T208 L235 | S207-E214 CarbonylContact C-O 3.54Å; S207-E214 VanDerWaalsContact CA-O 3.31Å; S207-E214 WeakPolarHBondContact CA-O 3.3Å; T208-E214 HydrophobicContact CG2-CB 3.62Å; T208-E214 PolarHBondContact N-O 3.42Å; T208-E214 WeakPolarHBondContact O-CB 3.48Å; T208-E214 PolarHBondContact O-N 2.85Å; T208-E214 VanDerWaalsContact O-N 3.14Å; E214-L235 VanDerWaalsContact O-CD1 3.31Å; E214-L235 WeakPolarHBondContact O-CD1 3.13Å |
| 215 | D | 87.3 | Confident | 87.8 | Confident | 26 Ų | 26 | 70.9 Ų | 70.9 | 14% | 0.139 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 139.1 | 172.4 | -158.8 | -24.5 | 0 | 0 | 0 | 110 | G206 T208 E217 L235 R236 | G206-D215 VanDerWaalsContact O-OD1 3.09Å; T208-D215 WeakPolarHBondContact CG2-O 3.47Å; D215-E217 VanDerWaalsContact C-N 3.31Å; D215-E217 VanDerWaalsContact CB-O 3.27Å; D215-E217 WeakPolarHBondContact CB-O 3.42Å; D215-E217 PolarHBondContact OD1-N 3.47Å; D215-L235 HydrophobicContact CB-CD1 4.08Å; D215-R236 WeakPolarHBondContact OD2-CA 3.09Å; D215-R236 PolarHBondContact OD2-N 3Å |
| 216 | S | 86.7 | Confident | 88 | Confident | 64 Ų | 64 | 67.3 Ų | 67.3 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -77.2 | -20.7 | 171 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | G206 | G206-S216 WeakPolarHBondContact CA-OG 3.39Š|
| 217 | E | 85.5 | Confident | 88.1 | Confident | 136 Ų | 136 | 75.9 Ų | 75.9 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -119.9 | 155.5 | 178.9 | -62.1 | -174.2 | 164.9 | 0 | 0 | 110.1 | D215 N233 | D215-E217 VanDerWaalsContact C-N 3.31Å; D215-E217 VanDerWaalsContact CB-O 3.27Å; D215-E217 WeakPolarHBondContact CB-O 3.42Å; D215-E217 PolarHBondContact OD1-N 3.47Å; E217-N233 PolarHBondContact O-ND2 2.88Å |
| 218 | N | 86.3 | Confident | 88.3 | Confident | 74 Ų | 74 | 78.9 Ų | 78.9 | 40% | 0.396 | 41% | 0.406 | S | S | . | . | trans | -105.2 | 94.7 | 175.5 | -178.8 | 11.3 | 0 | 0 | 0 | 108.9 | C220 E221 | N218-C220 PolarHBondContact O-N 3.18Å; N218-C220 VanDerWaalsContact O-N 3.08Å; N218-C220 WeakPolarHBondContact OD1-CB 3.39Å; N218-C220 PolarHBondContact OD1-N 3.02Å; N218-E221 HydrophobicContact CB-CG 4Å; N218-E221 WeakPolarHBondContact O-CB 3.37Å; N218-E221 WeakPolarHBondContact O-CG 3.46Å; N218-E221 PolarHBondContact O-N 3.18Å | ||
| 219 | D | 86.2 | Confident | 88.4 | Confident | 48 Ų | 48 | 77 Ų | 77 | 26% | 0.257 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -61.4 | -20 | -179.1 | -72.6 | -49.7 | 0 | 0 | 0 | 112.5 | E221 V223 N233 R236 D237 F238 | D219-E221 PolarHBondContact O-N 3.37Å; D219-V223 VanDerWaalsContact O-CG2 3.28Å; D219-V223 WeakPolarHBondContact O-CG2 3.38Å; D219-N233 PolarHBondContact N-OD1 3.33Å; D219-R236 WeakPolarHBondContact OD2-CA 3.04Å; D219-D237 WeakPolarHBondContact OD2-CA 3.31Å; D219-D237 PolarHBondContact OD2-N 3.49Å; D219-F238 HydrophobicContact CB-CB 3.98Å; D219-F238 HydrophobicContact CB-CD1 4.3Å |
| 220 | C | 89.6 | Confident | 88.7 | Confident | 24 Ų | 24 | 83.2 Ų | 83.2 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -71.1 | -12.7 | 174.4 | -69.7 | 0 | 0 | 0 | 0 | 114.4 | N218 Q222 V223 C231 N233 | N218-C220 PolarHBondContact O-N 3.18Å; N218-C220 VanDerWaalsContact O-N 3.08Å; N218-C220 WeakPolarHBondContact OD1-CB 3.39Å; N218-C220 PolarHBondContact OD1-N 3.02Å; C220-Q222 PolarHBondContact O-N 3Å; C220-V223 PolarHBondContact O-N 3.47Å; C220-C231 WeakPolarHBondContact CA-SG 3Å; C220-C231 HydrophobicContact CB-CB 3.67Å; C220-C231 WeakPolarHBondContact CB-SG 3.16Å; C220-C231 WeakPolarHBondContact SG-CB 3.4Å; C220-C231 CovalentContact SG-SG 2.03Å; C220-C231 PolarHBondContact SG-SG 3.49Å; C220-N233 PolarHBondContact SG-N 3.36Å |
| 221 | E | 88.7 | Confident | 88.9 | Confident | 146 Ų | 146 | 78.5 Ų | 78.5 | 68% | 0.682 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -64.9 | -28.1 | 179.6 | -73.2 | -174.8 | -179.8 | 0 | 0 | 113 | N218 D219 | N218-E221 HydrophobicContact CB-CG 4Å; N218-E221 WeakPolarHBondContact O-CB 3.37Å; N218-E221 WeakPolarHBondContact O-CG 3.46Å; N218-E221 PolarHBondContact O-N 3.18Å; D219-E221 PolarHBondContact O-N 3.37Å |
| 222 | Q | 86 | Confident | 89 | Confident | 180 Ų | 180 | 78.1 Ų | 78.1 | 84% | 0.841 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -106.6 | 7.4 | -179.7 | -61 | -66.4 | -52.4 | 0 | 0 | 112.8 | C220 | C220-Q222 PolarHBondContact O-N 3Š|
| 223 | V | 87.6 | Confident | 88.9 | Confident | 24 Ų | 24 | 80.9 Ų | 80.9 | 15% | 0.145 | 40% | 0.404 | C | S | . | . | trans | -117.1 | 125.6 | -172.1 | 173 | 0 | 0 | 0 | 0 | 111.3 | D219 C220 F238 F250 | D219-V223 VanDerWaalsContact O-CG2 3.28Å; D219-V223 WeakPolarHBondContact O-CG2 3.38Å; C220-V223 PolarHBondContact O-N 3.47Å; V223-F238 HydrophobicContact CB-CD2 4.22Å; V223-F238 HydrophobicContact CB-CE2 4.27Å; V223-F238 HydrophobicContact CB-CG 4.44Å; V223-F238 HydrophobicContact CG1-CD2 3.58Å; V223-F238 HydrophobicContact CG1-CE2 3.44Å; V223-F238 VanDerWaalsContact CG1-CE2 3.44Å; V223-F238 HydrophobicContact CG1-CG 4.28Å; V223-F238 HydrophobicContact CG1-CZ 4.04Å; V223-F238 HydrophobicContact CG2-CD1 3.63Å; V223-F238 HydrophobicContact CG2-CD2 3.91Å; V223-F238 HydrophobicContact CG2-CE1 3.55Å; V223-F238 HydrophobicContact CG2-CE2 3.85Å; V223-F238 HydrophobicContact CG2-CG 3.8Å; V223-F238 HydrophobicContact CG2-CZ 3.66Å; V223-F250 HydrophobicContact CG1-CD1 4.18Å; V223-F250 HydrophobicContact CG1-CE1 4.06Å | ||
| 224 | T | 88.7 | Confident | 88.9 | Confident | 82 Ų | 82 | 79.1 Ų | 79.1 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | trans | -113.2 | 117.7 | 168.9 | -56.9 | 0 | 0 | 0 | 0 | 109.5 | S226 Y227 | T224-S226 PolarHBondContact O-N 3.1Å; T224-Y227 HydrophobicContact CG2-CD1 4.27Å; T224-Y227 HydrophobicContact CG2-CD2 4.24Å; T224-Y227 HydrophobicContact CG2-CE1 3.99Å; T224-Y227 HydrophobicContact CG2-CE2 3.96Å; T224-Y227 HydrophobicContact CG2-CG 4.39Å | ||
| 225 | C | 92.7 | Very high | 88.8 | Confident | 6 Ų | 6 | 75.8 Ų | 75.8 | 4% | 0.041 | 38% | 0.381 | C | S | . | . | trans | -77.9 | 51 | 179.1 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | Y227 H228 G229 C231 C240 F250 | C225-Y227 PolarHBondContact O-N 2.67Å; C225-H228 PolarHBondContact O-N 3.44Å; C225-G229 PolarHBondContact O-N 2.04Å; C225-C231 PolarHBondContact SG-N 2.88Å; C225-C240 VanDerWaalsContact CA-SG 3.54Å; C225-C240 HydrophobicContact CB-CB 3.67Å; C225-C240 WeakPolarHBondContact CB-SG 3.18Å; C225-C240 VanDerWaalsContact SG-CA 3.5Å; C225-C240 WeakPolarHBondContact SG-CB 3.24Å; C225-C240 CovalentContact SG-SG 2.03Å; C225-C240 PolarHBondContact SG-SG 2.88Å; C225-F250 CarbonylContact C-O 2.96Å; C225-F250 WeakPolarHBondContact CA-O 3.45Å | ||
| 226 | S | 90.2 | Very high | 88.5 | Confident | 41 Ų | 41 | 82.6 Ų | 82.6 | 29% | 0.287 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 23.6 | -177.2 | -51.2 | 0 | 0 | 0 | 0 | 114.9 | T224 H228 F250 | T224-S226 PolarHBondContact O-N 3.1Å; S226-H228 PolarHBondContact O-CD2 2.74Å; S226-H228 PolarHBondContact O-N 3.02Å; S226-H228 VanDerWaalsContact O-N 3.12Å; S226-F250 VanDerWaalsContact CB-O 3.23Å; S226-F250 WeakPolarHBondContact CB-O 3Å; S226-F250 PolarHBondContact N-O 3.3Å; S226-F250 PolarHBondContact OG-O 3.06Å |
| 227 | Y | 88.5 | Confident | 88.5 | Confident | 201 Ų | 201 | 84.1 Ų | 84.1 | 79% | 0.788 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 10.9 | -171.4 | -50.8 | -83.4 | 0 | 0 | 0 | 115.8 | T224 C225 | T224-Y227 HydrophobicContact CG2-CD1 4.27Å; T224-Y227 HydrophobicContact CG2-CD2 4.24Å; T224-Y227 HydrophobicContact CG2-CE1 3.99Å; T224-Y227 HydrophobicContact CG2-CE2 3.96Å; T224-Y227 HydrophobicContact CG2-CG 4.39Å; C225-Y227 PolarHBondContact O-N 2.67Å |
| 228 | H | 91.3 | Very high | 88.7 | Confident | 75 Ų | 75 | 80.1 Ų | 80.1 | 35% | 0.347 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -117.8 | 30.1 | -179.4 | -64.1 | -54.8 | 0 | 0 | 0 | 112.2 | C225 S226 D243 F246 C251 | C225-H228 PolarHBondContact O-N 3.44Å; S226-H228 PolarHBondContact O-CD2 2.74Å; S226-H228 PolarHBondContact O-N 3.02Å; S226-H228 VanDerWaalsContact O-N 3.12Å; H228-D243 VanDerWaalsContact C-OD2 3.24Å; H228-D243 PolarHBondContact O-N 3.28Å; H228-F246 HydrophobicContact CB-CB 4.19Å; H228-F246 HydrophobicContact CB-CD1 3.67Å; H228-F246 HydrophobicContact CB-CD2 3.91Å; H228-F246 HydrophobicContact CB-CE1 3.96Å; H228-F246 HydrophobicContact CB-CE2 4.18Å; H228-F246 HydrophobicContact CB-CG 3.64Å; H228-F246 HydrophobicContact CB-CZ 4.21Å; H228-F246 AromaticContact CD2-CD1 3.75Å; H228-F246 AromaticContact CD2-CE1 3.31Å; H228-F246 WeakPolarHBondContact CD2-CE1 3.18Å; H228-F246 AromaticContact CD2-CZ 3.8Å; H228-F246 AromaticContact CE1-CE1 3.87Å; H228-F246 AromaticContact CE1-CZ 3.57Å; H228-F246 AromaticContact CG-CD1 3.67Å; H228-F246 AromaticContact CG-CE1 3.42Å; H228-F246 VanDerWaalsContact CG-CE1 3.42Å; H228-F246 AromaticContact CG-CE2 3.95Å; H228-F246 AromaticContact CG-CZ 3.57Å; H228-F246 AromaticContact ND1-CE1 3.78Å; H228-F246 AromaticContact ND1-CE2 3.75Å; H228-F246 AromaticContact ND1-CZ 3.43Å; H228-F246 WeakPolarHBondContact ND1-CZ 2.91Å; H228-F246 AromaticContact NE2-CE1 3.61Å; H228-F246 AromaticContact NE2-CZ 3.79Å; H228-C251 HydrophobicContact CB-CB 4.27Å; H228-C251 WeakPolarHBondContact O-CB 2.89Å |
| 229 | G | 93 | Very high | 89 | Confident | 22 Ų | 22 | 83 Ų | 83 | 23% | 0.227 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | 171.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C225 K241 | C225-G229 PolarHBondContact O-N 2.04Å; G229-K241 CarbonylContact C-O 3.5Å; G229-K241 WeakPolarHBondContact CA-O 3.32Å |
| 230 | K | 94 | Very high | 89.4 | Confident | 156 Ų | 156 | 81.2 Ų | 81.2 | 68% | 0.678 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.8 | 176.8 | -172.3 | 176.2 | -179.3 | -179.1 | 0 | 110 | E232 K241 | K230-E232 PolarHBondContact O-N 2.78Å; K230-K241 PolarHBondContact N-O 2.99Å; K230-K241 PolarHBondContact O-N 2.77Å |
| 231 | C | 92.4 | Very high | 89.7 | Confident | 28 Ų | 28 | 86.3 Ų | 86.3 | 19% | 0.189 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128 | 171.6 | -170.7 | 0 | 0 | 0 | 0 | 109.9 | C220 C225 | C220-C231 WeakPolarHBondContact CA-SG 3Å; C220-C231 HydrophobicContact CB-CB 3.67Å; C220-C231 WeakPolarHBondContact CB-SG 3.16Å; C220-C231 WeakPolarHBondContact SG-CB 3.4Å; C220-C231 CovalentContact SG-SG 2.03Å; C220-C231 PolarHBondContact SG-SG 3.49Å; C225-C231 PolarHBondContact SG-N 2.88Å |
| 232 | E | 92.1 | Very high | 89.9 | Confident | 67 Ų | 67 | 81.2 Ų | 81.2 | 31% | 0.313 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.5 | 170.2 | -63.2 | -173.9 | 172.7 | 0 | 0 | 108.7 | K230 K234 K239 K241 | K230-E232 PolarHBondContact O-N 2.78Å; E232-K234 PolarHBondContact O-N 3.47Å; E232-K234 IonicContact OE2-NZ 2.79Å; E232-K234 PolarHBondContact OE2-NZ 3.14Å; E232-K239 WeakPolarHBondContact CB-O 3.32Å; E232-K239 PolarHBondContact N-O 3.42Å; E232-K239 PolarHBondContact O-N 3Å; E232-K241 HydrophobicContact CG-CB 4.46Å; E232-K241 WeakPolarHBondContact OE1-CD 3.44Å |
| 233 | N | 87.3 | Confident | 90.3 | Very high | 58 Ų | 58 | 76.4 Ų | 76.4 | 31% | 0.31 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 131.6 | 173.2 | -160.9 | 42.5 | 0 | 0 | 0 | 108.9 | E217 D219 C220 | E217-N233 PolarHBondContact O-ND2 2.88Å; D219-N233 PolarHBondContact N-OD1 3.33Å; C220-N233 PolarHBondContact SG-N 3.36Å |
| 234 | K | 86.3 | Confident | 90.6 | Very high | 86 Ų | 86 | 81.5 Ų | 81.5 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | -179.1 | 170.8 | -56.8 | -61.1 | 172.9 | -162.2 | 0 | 107.2 | E232 R236 D237 K239 | E232-K234 PolarHBondContact O-N 3.47Å; E232-K234 IonicContact OE2-NZ 2.79Å; E232-K234 PolarHBondContact OE2-NZ 3.14Å; K234-R236 PolarHBondContact O-N 2.93Å; K234-D237 CarbonylContact C-O 3.2Å; K234-D237 WeakPolarHBondContact CA-O 3.4Å; K234-D237 HydrophobicContact CB-CB 4.16Å; K234-D237 VanDerWaalsContact CB-O 3.27Å; K234-D237 WeakPolarHBondContact CB-O 3.42Å; K234-D237 PolarHBondContact N-O 3.27Å; K234-D237 VanDerWaalsContact O-O 3.05Å; K234-K239 HydrophobicContact CG-CB 4.21Å |
| 235 | L | 84.6 | Confident | 90.7 | Very high | 47 Ų | 47 | 79.5 Ų | 79.5 | 25% | 0.246 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 111.8 | -179.3 | -179.7 | 60.4 | 0 | 0 | 0 | 109.6 | N188 G206 E214 D215 D237 | N188-L235 HydrophobicContact CB-CD2 4.11Å; N188-L235 WeakPolarHBondContact ND2-CD2 3.23Å; G206-L235 WeakPolarHBondContact O-CD1 2.94Å; E214-L235 VanDerWaalsContact O-CD1 3.31Å; E214-L235 WeakPolarHBondContact O-CD1 3.13Å; D215-L235 HydrophobicContact CB-CD1 4.08Å; L235-D237 PolarHBondContact O-N 3.4Å |
| 236 | R | 81.1 | Confident | 90.7 | Very high | 170 Ų | 170 | 82.1 Ų | 82.1 | 64% | 0.642 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 29.5 | -174.4 | -57 | 178.1 | 55.1 | -148 | -8.2 | 112.8 | G206 D215 D219 K234 | G206-R236 WeakPolarHBondContact O-CG 3.05Å; D215-R236 WeakPolarHBondContact OD2-CA 3.09Å; D215-R236 PolarHBondContact OD2-N 3Å; D219-R236 WeakPolarHBondContact OD2-CA 3.04Å; K234-R236 PolarHBondContact O-N 2.93Å |
| 237 | D | 86.1 | Confident | 90.8 | Very high | 96 Ų | 96 | 82.6 Ų | 82.6 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 169 | -179.3 | -162.8 | 8.6 | 0 | 0 | 0 | 109.6 | D219 K234 L235 | D219-D237 WeakPolarHBondContact OD2-CA 3.31Å; D219-D237 PolarHBondContact OD2-N 3.49Å; K234-D237 CarbonylContact C-O 3.2Å; K234-D237 WeakPolarHBondContact CA-O 3.4Å; K234-D237 HydrophobicContact CB-CB 4.16Å; K234-D237 VanDerWaalsContact CB-O 3.27Å; K234-D237 WeakPolarHBondContact CB-O 3.42Å; K234-D237 PolarHBondContact N-O 3.27Å; K234-D237 VanDerWaalsContact O-O 3.05Å; L235-D237 PolarHBondContact O-N 3.4Å |
| 238 | F | 89.1 | Confident | 90.9 | Very high | 52 Ų | 52 | 74.6 Ų | 74.6 | 23% | 0.228 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 160.4 | 171.1 | 68.7 | -87.1 | 0 | 0 | 0 | 110.5 | D219 V223 F250 | D219-F238 HydrophobicContact CB-CB 3.98Å; D219-F238 HydrophobicContact CB-CD1 4.3Å; V223-F238 HydrophobicContact CB-CD2 4.22Å; V223-F238 HydrophobicContact CB-CE2 4.27Å; V223-F238 HydrophobicContact CB-CG 4.44Å; V223-F238 HydrophobicContact CG1-CD2 3.58Å; V223-F238 HydrophobicContact CG1-CE2 3.44Å; V223-F238 VanDerWaalsContact CG1-CE2 3.44Å; V223-F238 HydrophobicContact CG1-CG 4.28Å; V223-F238 HydrophobicContact CG1-CZ 4.04Å; V223-F238 HydrophobicContact CG2-CD1 3.63Å; V223-F238 HydrophobicContact CG2-CD2 3.91Å; V223-F238 HydrophobicContact CG2-CE1 3.55Å; V223-F238 HydrophobicContact CG2-CE2 3.85Å; V223-F238 HydrophobicContact CG2-CG 3.8Å; V223-F238 HydrophobicContact CG2-CZ 3.66Å; F238-F250 HydrophobicContact CE2-CD1 4.25Å; F238-F250 AromaticContact CE2-CE1 3.69Å; F238-F250 HydrophobicContact CE2-CE1 3.69Å; F238-F250 HydrophobicContact CE2-CZ 4.26Å; F238-F250 HydrophobicContact CZ-CD1 4.46Å; F238-F250 AromaticContact CZ-CE1 3.5Å; F238-F250 HydrophobicContact CZ-CE1 3.5Å; F238-F250 VanDerWaalsContact CZ-CE1 3.5Å; F238-F250 AromaticContact CZ-CZ 3.73Å; F238-F250 HydrophobicContact CZ-CZ 3.73Å |
| 239 | K | 92.7 | Very high | 91 | Very high | 133 Ų | 133 | 77.4 Ų | 77.4 | 58% | 0.578 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 124.5 | 171.3 | -172.1 | 172.1 | -176.9 | 173 | 0 | 111.2 | E232 K234 K241 | E232-K239 WeakPolarHBondContact CB-O 3.32Å; E232-K239 PolarHBondContact N-O 3.42Å; E232-K239 PolarHBondContact O-N 3Å; K234-K239 HydrophobicContact CG-CB 4.21Å; K239-K241 PolarHBondContact O-N 2.88Å |
| 240 | C | 94.5 | Very high | 91 | Very high | 11 Ų | 11 | 80.5 Ų | 80.5 | 7% | 0.074 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 118.7 | 168.4 | -70.5 | 0 | 0 | 0 | 0 | 110.5 | C225 C242 N249 | C225-C240 VanDerWaalsContact CA-SG 3.54Å; C225-C240 HydrophobicContact CB-CB 3.67Å; C225-C240 WeakPolarHBondContact CB-SG 3.18Å; C225-C240 VanDerWaalsContact SG-CA 3.5Å; C225-C240 WeakPolarHBondContact SG-CB 3.24Å; C225-C240 CovalentContact SG-SG 2.03Å; C225-C240 PolarHBondContact SG-SG 2.88Å; C240-C242 PolarHBondContact O-N 3.39Å; C240-N249 WeakPolarHBondContact CB-O 3.26Å |
| 241 | K | 96.1 | Very high | 91 | Very high | 131 Ų | 131 | 73 Ų | 73 | 57% | 0.57 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 103.1 | 167.1 | -176.1 | 177.2 | -179.1 | 177.2 | 0 | 108.7 | G229 K230 E232 K239 | G229-K241 CarbonylContact C-O 3.5Å; G229-K241 WeakPolarHBondContact CA-O 3.32Å; K230-K241 PolarHBondContact N-O 2.99Å; K230-K241 PolarHBondContact O-N 2.77Å; E232-K241 HydrophobicContact CG-CB 4.46Å; E232-K241 WeakPolarHBondContact OE1-CD 3.44Å; K239-K241 PolarHBondContact O-N 2.88Å |
| 242 | C | 94.4 | Very high | 91 | Very high | 39 Ų | 39 | 76.5 Ų | 76.5 | 26% | 0.264 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 144.8 | -176.6 | -53.6 | 0 | 0 | 0 | 0 | 113 | C240 F246 C251 | C240-C242 PolarHBondContact O-N 3.39Å; C242-F246 HydrophobicContact CB-CB 4.24Å; C242-F246 WeakPolarHBondContact CB-O 3.46Å; C242-C251 WeakPolarHBondContact CA-SG 3.46Å; C242-C251 HydrophobicContact CB-CB 3.7Å; C242-C251 WeakPolarHBondContact CB-SG 3.18Å; C242-C251 PolarHBondContact N-SG 2.86Å; C242-C251 WeakPolarHBondContact SG-CA 3.24Å; C242-C251 WeakPolarHBondContact SG-CB 3.19Å; C242-C251 CovalentContact SG-SG 2.04Å; C242-C251 PolarHBondContact SG-SG 3.36Å |
| 243 | D | 94 | Very high | 90.9 | Very high | 79 Ų | 79 | 77.8 Ų | 77.8 | 42% | 0.422 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 153.5 | 169.7 | -66.7 | -33.6 | 0 | 0 | 0 | 110.4 | H228 G245 F246 | H228-D243 VanDerWaalsContact C-OD2 3.24Å; H228-D243 PolarHBondContact O-N 3.28Å; D243-G245 PolarHBondContact O-N 3.1Å; D243-F246 HydrophobicContact CB-CD2 4.33Å; D243-F246 PolarHBondContact O-N 3.12Å |
| 244 | P | 93.1 | Very high | 90.9 | Very high | 131 Ų | 131 | 76.7 Ų | 76.7 | 85% | 0.851 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 127.6 | 176.9 | -26.2 | 34.9 | 0 | 0 | 0 | 112.1 | ||
| 245 | G | 91.1 | Very high | 90.4 | Very high | 40 Ų | 40 | 79.7 Ų | 79.7 | 41% | 0.412 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.5 | -9.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D243 K255 | D243-G245 PolarHBondContact O-N 3.1Å; G245-K255 WeakPolarHBondContact O-CB 3.49Å; G245-K255 PolarHBondContact O-N 3.22Å |
| 246 | F | 92.5 | Very high | 89.8 | Confident | 62 Ų | 62 | 83 Ų | 83 | 27% | 0.272 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 148.3 | 174.1 | -65.7 | -92.4 | 0 | 0 | 0 | 111.4 | H228 C242 D243 C251 I253 | H228-F246 HydrophobicContact CB-CB 4.19Å; H228-F246 HydrophobicContact CB-CD1 3.67Å; H228-F246 HydrophobicContact CB-CD2 3.91Å; H228-F246 HydrophobicContact CB-CE1 3.96Å; H228-F246 HydrophobicContact CB-CE2 4.18Å; H228-F246 HydrophobicContact CB-CG 3.64Å; H228-F246 HydrophobicContact CB-CZ 4.21Å; H228-F246 AromaticContact CD2-CD1 3.75Å; H228-F246 AromaticContact CD2-CE1 3.31Å; H228-F246 WeakPolarHBondContact CD2-CE1 3.18Å; H228-F246 AromaticContact CD2-CZ 3.8Å; H228-F246 AromaticContact CE1-CE1 3.87Å; H228-F246 AromaticContact CE1-CZ 3.57Å; H228-F246 AromaticContact CG-CD1 3.67Å; H228-F246 AromaticContact CG-CE1 3.42Å; H228-F246 VanDerWaalsContact CG-CE1 3.42Å; H228-F246 AromaticContact CG-CE2 3.95Å; H228-F246 AromaticContact CG-CZ 3.57Å; H228-F246 AromaticContact ND1-CE1 3.78Å; H228-F246 AromaticContact ND1-CE2 3.75Å; H228-F246 AromaticContact ND1-CZ 3.43Å; H228-F246 WeakPolarHBondContact ND1-CZ 2.91Å; H228-F246 AromaticContact NE2-CE1 3.61Å; H228-F246 AromaticContact NE2-CZ 3.79Å; C242-F246 HydrophobicContact CB-CB 4.24Å; C242-F246 WeakPolarHBondContact CB-O 3.46Å; D243-F246 HydrophobicContact CB-CD2 4.33Å; D243-F246 PolarHBondContact O-N 3.12Å; F246-C251 HydrophobicContact CB-CB 4.26Å; F246-I253 CarbonylContact C-O 3.55Å; F246-I253 WeakPolarHBondContact CA-O 3.49Å |
| 247 | T | 92.8 | Very high | 88.6 | Confident | 50 Ų | 50 | 83.8 Ų | 83.8 | 31% | 0.307 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 170.5 | -179.9 | 52 | 0 | 0 | 0 | 0 | 110.4 | C251 E252 I253 | T247-C251 CarbonylContact O-C 3.4Å; T247-C251 WeakPolarHBondContact O-CA 3.42Å; T247-E252 PolarHBondContact O-N 3.26Å; T247-I253 PolarHBondContact N-O 3.23Å; T247-I253 WeakPolarHBondContact O-CA 3.43Å; T247-I253 WeakPolarHBondContact O-CB 3.32Å; T247-I253 PolarHBondContact O-N 3.45Å; T247-I253 PolarHBondContact OG1-O 2.88Å |
| 248 | G | 91 | Very high | 86.8 | Confident | 33 Ų | 33 | 87.4 Ų | 87.4 | 34% | 0.34 | 46% | 0.462 | S | S | . | . | S | Bend | trans | 108.8 | 169.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112 | F250 C251 | G248-F250 VanDerWaalsContact C-N 3.25Å; G248-F250 PolarHBondContact O-N 2.84Å; G248-C251 PolarHBondContact O-N 3.01Å |
| 249 | N | 91.8 | Very high | 84.8 | Confident | 134 Ų | 134 | 89.1 Ų | 89.1 | 72% | 0.717 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -25.4 | -178.7 | -71.8 | -16 | 0 | 0 | 0 | 111.9 | C240 E252 | C240-N249 WeakPolarHBondContact CB-O 3.26Å; N249-E252 PolarHBondContact N-OE2 3.21Å |
| 250 | F | 94.1 | Very high | 82.6 | Confident | 87 Ų | 87 | 90.5 Ų | 90.5 | 38% | 0.382 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 18.2 | 177 | -61 | -85.7 | 0 | 0 | 0 | 111.9 | V223 C225 S226 F238 G248 E252 | V223-F250 HydrophobicContact CG1-CD1 4.18Å; V223-F250 HydrophobicContact CG1-CE1 4.06Å; C225-F250 CarbonylContact C-O 2.96Å; C225-F250 WeakPolarHBondContact CA-O 3.45Å; S226-F250 VanDerWaalsContact CB-O 3.23Å; S226-F250 WeakPolarHBondContact CB-O 3Å; S226-F250 PolarHBondContact N-O 3.3Å; S226-F250 PolarHBondContact OG-O 3.06Å; F238-F250 HydrophobicContact CE2-CD1 4.25Å; F238-F250 AromaticContact CE2-CE1 3.69Å; F238-F250 HydrophobicContact CE2-CE1 3.69Å; F238-F250 HydrophobicContact CE2-CZ 4.26Å; F238-F250 HydrophobicContact CZ-CD1 4.46Å; F238-F250 AromaticContact CZ-CE1 3.5Å; F238-F250 HydrophobicContact CZ-CE1 3.5Å; F238-F250 VanDerWaalsContact CZ-CE1 3.5Å; F238-F250 AromaticContact CZ-CZ 3.73Å; F238-F250 HydrophobicContact CZ-CZ 3.73Å; G248-F250 VanDerWaalsContact C-N 3.25Å; G248-F250 PolarHBondContact O-N 2.84Å; F250-E252 VanDerWaalsContact CA-OE2 3.28Å; F250-E252 WeakPolarHBondContact CA-OE2 3.49Å; F250-E252 WeakPolarHBondContact CB-OE2 3.43Å; F250-E252 PolarHBondContact N-OE2 3.03Å; F250-E252 PolarHBondContact O-N 2.98Å |
| 251 | C | 93.9 | Very high | 80.3 | Confident | 0 Ų | 0 | 94.6 Ų | 94.6 | 0% | 0 | 52% | 0.52 | C | S | . | . | S | Bend | trans | 58.3 | 31.5 | -178.6 | -48.2 | 0 | 0 | 0 | 0 | 114.3 | H228 C242 F246 T247 G248 | H228-C251 HydrophobicContact CB-CB 4.27Å; H228-C251 WeakPolarHBondContact O-CB 2.89Å; C242-C251 WeakPolarHBondContact CA-SG 3.46Å; C242-C251 HydrophobicContact CB-CB 3.7Å; C242-C251 WeakPolarHBondContact CB-SG 3.18Å; C242-C251 PolarHBondContact N-SG 2.86Å; C242-C251 WeakPolarHBondContact SG-CA 3.24Å; C242-C251 WeakPolarHBondContact SG-CB 3.19Å; C242-C251 CovalentContact SG-SG 2.04Å; C242-C251 PolarHBondContact SG-SG 3.36Å; F246-C251 HydrophobicContact CB-CB 4.26Å; T247-C251 CarbonylContact O-C 3.4Å; T247-C251 WeakPolarHBondContact O-CA 3.42Å; G248-C251 PolarHBondContact O-N 3.01Å |
| 252 | E | 92.7 | Very high | 77.6 | Confident | 101 Ų | 101 | 96.3 Ų | 96.3 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | trans | -81.9 | -16.7 | -174 | 70.1 | -75.3 | 179.4 | 0 | 0 | 114.1 | T247 N249 F250 | T247-E252 PolarHBondContact O-N 3.26Å; N249-E252 PolarHBondContact N-OE2 3.21Å; F250-E252 VanDerWaalsContact CA-OE2 3.28Å; F250-E252 WeakPolarHBondContact CA-OE2 3.49Å; F250-E252 WeakPolarHBondContact CB-OE2 3.43Å; F250-E252 PolarHBondContact N-OE2 3.03Å; F250-E252 PolarHBondContact O-N 2.98Å | ||
| 253 | I | 90.4 | Very high | 75.5 | Confident | 94 Ų | 94 | 100.4 Ų | 100.4 | 48% | 0.482 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 98.9 | -176.3 | -51 | 175.7 | 0 | 0 | 0 | 109.5 | F246 T247 | F246-I253 CarbonylContact C-O 3.55Å; F246-I253 WeakPolarHBondContact CA-O 3.49Å; T247-I253 PolarHBondContact N-O 3.23Å; T247-I253 WeakPolarHBondContact O-CA 3.43Å; T247-I253 WeakPolarHBondContact O-CB 3.32Å; T247-I253 PolarHBondContact O-N 3.45Å; T247-I253 PolarHBondContact OG1-O 2.88Å |
| 254 | G | 86.1 | Confident | 73.4 | Confident | 34 Ų | 34 | 104.7 Ų | 104.7 | 35% | 0.351 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.1 | 126.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T256 | G254-T256 PolarHBondContact O-N 2.8Å |
| 255 | K | 77 | Confident | 71.2 | Confident | 149 Ų | 149 | 106.3 Ų | 106.3 | 65% | 0.648 | 58% | 0.577 | S | S | * | * | trans | -75.1 | 80.2 | 167.2 | -65.5 | -175.8 | -179.5 | 179.4 | 0 | 108.1 | G245 F257 | G245-K255 WeakPolarHBondContact O-CB 3.49Å; G245-K255 PolarHBondContact O-N 3.22Å; K255-F257 PolarHBondContact O-N 3.09Å | ||
| 256 | T | 71.1 | Confident | 68.9 | Low | 117 Ų | 117 | 107.9 Ų | 107.9 | 72% | 0.718 | 59% | 0.586 | S | S | * | * | trans | -55 | 117 | 159.9 | 36.2 | 0 | 0 | 0 | 0 | 107.2 | G254 Q258 | G254-T256 PolarHBondContact O-N 2.8Å; T256-Q258 PolarHBondContact O-N 2.96Å | ||
| 257 | F | 56.8 | Low | 67 | Low | 186 Ų | 186 | 119.8 Ų | 119.8 | 82% | 0.816 | 63% | 0.632 | S | S | * | * | trans | -51 | 104 | 169.1 | -150.9 | -102.7 | 0 | 0 | 0 | 106.3 | K255 P259 | K255-F257 PolarHBondContact O-N 3.09Å; F257-P259 HydrophobicContact CD1-CB 4.12Å; F257-P259 HydrophobicContact CD1-CG 3.81Å; F257-P259 HydrophobicContact CE1-CB 4.11Å; F257-P259 HydrophobicContact CE1-CG 4.22Å; F257-P259 WeakPolarHBondContact O-CD 3.47Å | ||
| 258 | Q | 47.9 | Very low | 65.7 | Low | 173 Ų | 173 | 123.3 Ų | 123.3 | 81% | 0.808 | 65% | 0.648 | S | S | * | * | trans | -96.2 | 89.7 | 165.5 | -80.2 | -171.5 | -23.1 | 0 | 0 | 106.6 | T256 L260 | T256-Q258 PolarHBondContact O-N 2.96Å; Q258-L260 VanDerWaalsContact C-N 3.26Å; Q258-L260 PolarHBondContact O-N 3.01Å | ||
| 259 | P | 47.2 | Very low | 64.3 | Low | 87 Ų | 87 | 128.1 Ų | 128.1 | 57% | 0.565 | 66% | 0.664 | S | S | * | * | trans | -82 | 85.3 | 161.6 | 34.8 | -27.7 | 0 | 0 | 0 | 106.4 | F257 | F257-P259 HydrophobicContact CD1-CB 4.12Å; F257-P259 HydrophobicContact CD1-CG 3.81Å; F257-P259 HydrophobicContact CE1-CB 4.11Å; F257-P259 HydrophobicContact CE1-CG 4.22Å; F257-P259 WeakPolarHBondContact O-CD 3.47Å | ||
| 260 | L | 46.6 | Very low | 62.8 | Low | 162 Ų | 162 | 127.7 Ų | 127.7 | 85% | 0.848 | 66% | 0.661 | S | S | * | * | trans | -137.4 | 53.6 | 161.8 | -71.2 | 177.1 | 0 | 0 | 0 | 109.5 | Q258 | Q258-L260 VanDerWaalsContact C-N 3.26Å; Q258-L260 PolarHBondContact O-N 3.01Å | ||
| 261 | S | 44.7 | Very low | 61 | Low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 68% | 0.678 | S | S | * | * | trans | -94.9 | 137.9 | 141.4 | 58.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 262 | H | 40.8 | Very low | 58.9 | Low | 166 Ų | 166 | 138.3 Ų | 138.3 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | trans | 79.3 | 90.7 | -164.7 | -54.8 | -82.7 | 0 | 0 | 0 | 113.8 | ||||
| 263 | V | 49.6 | Very low | 56.7 | Low | 126 Ų | 126 | 140.7 Ų | 140.7 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | -161.4 | 93.6 | 97.9 | -175.5 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 264 | L | 49.4 | Very low | 54.3 | Low | 168 Ų | 168 | 144.1 Ų | 144.1 | 88% | 0.88 | 76% | 0.755 | S | S | * | * | trans | -142.7 | 59.7 | 159.2 | -75.5 | -178.1 | 0 | 0 | 0 | 108.5 | ||||
| 265 | D | 48.5 | Very low | 51.8 | Low | 165 Ų | 165 | 152.5 Ų | 152.5 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -144.7 | 69 | 162.5 | -75.4 | -44.4 | 0 | 0 | 0 | 107.8 | ||||
| 266 | A | 42.4 | Very low | 49.7 | Very low | 73 Ų | 73 | 152.8 Ų | 152.8 | 60% | 0.603 | 80% | 0.797 | S | S | * | * | trans | -155 | 97 | 166 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 267 | Y | 51.6 | Low | 47.8 | Very low | 313 Ų | 313 | 156.1 Ų | 156.1 | 100% | 1.227 | 80% | 0.804 | S | S | * | * | trans | 174.6 | 0 | 130.1 | -83.1 | -62.8 | 0 | 0 | 0 | 108.2 |
Retrieved 267 of 267 residues in 326.6 ms
(Link to these results)