| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 77.8 | Confident | 89.6 | Confident | 154 Ų | 154 | 122.5 Ų | 122.5 | 76% | 0.759 | 61% | 0.606 | S | S | * | * | 0 | 129.1 | 0 | -174.9 | -178.9 | -76.4 | 0 | 0 | 107.6 | D5 S40 | M1-D5 HydrophobicContact CG-CB 3.94Å; M1-S40 WeakPolarHBondContact SD-CB 3.36Å | |||
| 2 | S | 89.7 | Confident | 90.1 | Very high | 58 Ų | 58 | 115.8 Ų | 115.8 | 41% | 0.406 | 57% | 0.571 | S | S | . | * | trans | -102.6 | 173.8 | 171.1 | 67.9 | 0 | 0 | 0 | 0 | 110.2 | D4 D5 | S2-D4 VanDerWaalsContact C-N 3.31Å; S2-D5 PolarHBondContact N-OD2 3.34Å; S2-D5 WeakPolarHBondContact O-CB 3.47Å; S2-D5 PolarHBondContact O-N 2.77Å; S2-D5 PolarHBondContact OG-OD2 2.8Å | ||
| 3 | F | 89.3 | Confident | 90.5 | Very high | 169 Ų | 169 | 115.2 Ų | 115.2 | 74% | 0.741 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -68.1 | -31.5 | 175.7 | -72.6 | -69.7 | 0 | 0 | 0 | 112.8 | D5 T6 | F3-D5 PolarHBondContact O-N 3.25Å; F3-T6 VanDerWaalsContact O-CB 3.31Å; F3-T6 WeakPolarHBondContact O-CB 3.38Å; F3-T6 WeakPolarHBondContact O-CG2 3.31Å; F3-T6 PolarHBondContact O-N 2.77Å; F3-T6 PolarHBondContact O-OG1 3.42Å |
| 4 | D | 90.8 | Very high | 90.8 | Very high | 137 Ų | 137 | 112.4 Ų | 112.4 | 73% | 0.733 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -64.3 | -29 | 176.4 | -57.9 | -21.3 | 0 | 0 | 0 | 111.5 | S2 T6 | S2-D4 VanDerWaalsContact C-N 3.31Å; D4-T6 PolarHBondContact O-N 3.04Å |
| 5 | D | 89 | Confident | 91 | Very high | 61 Ų | 61 | 112.4 Ų | 112.4 | 33% | 0.326 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -69.2 | -15.2 | 175.7 | -62.7 | -55.5 | 0 | 0 | 0 | 113.1 | M1 S2 F3 E7 R8 | M1-D5 HydrophobicContact CG-CB 3.94Å; S2-D5 PolarHBondContact N-OD2 3.34Å; S2-D5 WeakPolarHBondContact O-CB 3.47Å; S2-D5 PolarHBondContact O-N 2.77Å; S2-D5 PolarHBondContact OG-OD2 2.8Å; F3-D5 PolarHBondContact O-N 3.25Å; D5-E7 PolarHBondContact O-N 3.02Å; D5-R8 WeakPolarHBondContact O-CB 3.31Å; D5-R8 WeakPolarHBondContact O-CG 3.44Å; D5-R8 PolarHBondContact O-N 3.29Å |
| 6 | T | 89.6 | Confident | 91 | Very high | 45 Ų | 45 | 110.8 Ų | 110.8 | 28% | 0.276 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -75.7 | -10.8 | -175.3 | 69.6 | 0 | 0 | 0 | 0 | 114.1 | F3 D4 R8 H42 | F3-T6 VanDerWaalsContact O-CB 3.31Å; F3-T6 WeakPolarHBondContact O-CB 3.38Å; F3-T6 WeakPolarHBondContact O-CG2 3.31Å; F3-T6 PolarHBondContact O-N 2.77Å; F3-T6 PolarHBondContact O-OG1 3.42Å; D4-T6 PolarHBondContact O-N 3.04Å; T6-R8 VanDerWaalsContact C-N 3.27Å; T6-H42 HydrophobicContact CG2-CB 4.29Å |
| 7 | E | 88.4 | Confident | 91.1 | Very high | 178 Ų | 178 | 110.5 Ų | 110.5 | 83% | 0.832 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -78.7 | -12.9 | 173.9 | -60.4 | -171.4 | 164.6 | 0 | 0 | 112.7 | D5 | D5-E7 PolarHBondContact O-N 3.02Š|
| 8 | R | 90.1 | Very high | 90.9 | Very high | 183 Ų | 183 | 114.5 Ų | 114.5 | 69% | 0.691 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -76.8 | 159.3 | 178.7 | -55.9 | 178.2 | 80.2 | 149.1 | 4.1 | 110.5 | D5 T6 P10 | D5-R8 WeakPolarHBondContact O-CB 3.31Å; D5-R8 WeakPolarHBondContact O-CG 3.44Å; D5-R8 PolarHBondContact O-N 3.29Å; T6-R8 VanDerWaalsContact C-N 3.27Å; R8-P10 WeakPolarHBondContact O-CD 3.47Å |
| 9 | E | 92.4 | Very high | 90.8 | Very high | 189 Ų | 189 | 111.5 Ų | 111.5 | 88% | 0.883 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 121.1 | 175.9 | -168.5 | -172.3 | 176.6 | 0 | 0 | 110.1 | ||
| 10 | P | 93.9 | Very high | 90.5 | Very high | 74 Ų | 74 | 115 Ų | 115 | 48% | 0.481 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -76.2 | 150.9 | 176.2 | 31.9 | -34.9 | 0 | 0 | 0 | 110.8 | R8 Q12 T13 | R8-P10 WeakPolarHBondContact O-CD 3.47Å; P10-Q12 PolarHBondContact O-N 3.33Å; P10-T13 VanDerWaalsContact CG-OG1 3.22Å; P10-T13 WeakPolarHBondContact CG-OG1 3.34Å |
| 11 | D | 94.5 | Very high | 90.4 | Very high | 100 Ų | 100 | 114.3 Ų | 114.3 | 54% | 0.535 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -58.2 | -33.2 | 175.8 | -68.6 | -64.8 | 0 | 0 | 0 | 112.9 | F33 | D11-F33 HydrophobicContact CB-CE2 4.29Å; D11-F33 HydrophobicContact CB-CZ 3.97Å |
| 12 | Q | 95.4 | Very high | 90.8 | Very high | 41 Ų | 41 | 109.4 Ų | 109.4 | 19% | 0.192 | 57% | 0.571 | C | S | . | * | trans | -157.4 | 144.7 | 175 | -170.9 | 163.4 | -4 | 0 | 0 | 111.8 | P10 F14 A27 T28 F33 | P10-Q12 PolarHBondContact O-N 3.33Å; Q12-F14 HydrophobicContact CG-CE1 3.96Å; Q12-F14 HydrophobicContact CG-CE2 4.08Å; Q12-F14 HydrophobicContact CG-CZ 3.68Å; Q12-F14 VanDerWaalsContact NE2-CZ 3.27Å; Q12-A27 PolarHBondContact NE2-O 2.64Å; Q12-T28 VanDerWaalsContact OE1-CA 3.28Å; Q12-F33 HydrophobicContact CB-CE2 3.87Å; Q12-F33 HydrophobicContact CB-CZ 4.13Å | ||
| 13 | T | 95.4 | Very high | 90.8 | Very high | 108 Ų | 108 | 114.4 Ų | 114.4 | 66% | 0.663 | 59% | 0.588 | S | S | * | * | trans | -121.7 | 143.1 | 174 | -54.7 | 0 | 0 | 0 | 0 | 110.2 | P10 | P10-T13 VanDerWaalsContact CG-OG1 3.22Å; P10-T13 WeakPolarHBondContact CG-OG1 3.34Å | ||
| 14 | F | 94.6 | Very high | 90.9 | Very high | 76 Ų | 76 | 110.3 Ų | 110.3 | 33% | 0.333 | 57% | 0.573 | S | S | . | * | trans | -122.3 | 136 | 178.2 | -59.2 | -72.8 | 0 | 0 | 0 | 110.5 | Q12 L16 Y26 A27 T28 | Q12-F14 HydrophobicContact CG-CE1 3.96Å; Q12-F14 HydrophobicContact CG-CE2 4.08Å; Q12-F14 HydrophobicContact CG-CZ 3.68Å; Q12-F14 VanDerWaalsContact NE2-CZ 3.27Å; F14-L16 HydrophobicContact CB-CD2 3.89Å; F14-L16 PolarHBondContact O-N 3.05Å; F14-Y26 HydrophobicContact CB-CD1 4.33Å; F14-Y26 HydrophobicContact CD1-CD1 4.17Å; F14-Y26 HydrophobicContact CD1-CG 4.29Å; F14-Y26 HydrophobicContact CG-CD1 4.48Å; F14-Y26 HydrophobicContact CG-CG 4.48Å; F14-A27 WeakPolarHBondContact CE1-O 3.35Å; F14-T28 HydrophobicContact CZ-CG2 4.24Å | ||
| 15 | S | 93.4 | Very high | 91 | Very high | 113 Ų | 113 | 109.6 Ų | 109.6 | 79% | 0.79 | 57% | 0.565 | S | S | * | * | trans | -87.6 | 102.1 | 163.7 | -64.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 16 | L | 92 | Very high | 91.3 | Very high | 87 Ų | 87 | 110 Ų | 110 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -76.2 | 146 | -177.4 | -56.5 | -179.5 | 0 | 0 | 0 | 111 | F14 Y26 F47 | F14-L16 HydrophobicContact CB-CD2 3.89Å; F14-L16 PolarHBondContact O-N 3.05Å; L16-Y26 WeakPolarHBondContact CA-OH 3.22Å; L16-Y26 HydrophobicContact CD2-CD1 4.27Å; L16-Y26 HydrophobicContact CD2-CD2 3.88Å; L16-Y26 HydrophobicContact CD2-CE1 3.94Å; L16-Y26 HydrophobicContact CD2-CE2 3.55Å; L16-Y26 HydrophobicContact CD2-CG 4.25Å; L16-F47 HydrophobicContact CB-CZ 4.23Å; L16-F47 WeakPolarHBondContact O-CE1 3.19Å; L16-F47 WeakPolarHBondContact O-CZ 3.2Å |
| 17 | N | 91.6 | Very high | 91.5 | Very high | 106 Ų | 106 | 111.6 Ų | 111.6 | 57% | 0.567 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 157.9 | 166.5 | -71.1 | -44.5 | 0 | 0 | 0 | 110.6 | D19 L24 Y26 F47 | N17-D19 PolarHBondContact O-N 3.05Å; N17-L24 HydrophobicContact CB-CD1 3.95Å; N17-Y26 PolarHBondContact N-OH 3.01Å; N17-F47 VanDerWaalsContact C-CZ 3.41Å |
| 18 | R | 88.6 | Confident | 91.7 | Very high | 182 Ų | 182 | 106.6 Ų | 106.6 | 69% | 0.687 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 121.8 | 175.1 | -69.1 | -177.7 | 177.6 | -176.8 | -1.1 | 109 | F47 | R18-F47 HydrophobicContact CG-CB 4.41Å; R18-F47 HydrophobicContact CG-CD1 3.79Å; R18-F47 HydrophobicContact CG-CD2 3.81Å; R18-F47 HydrophobicContact CG-CE1 3.92Å; R18-F47 HydrophobicContact CG-CE2 3.94Å; R18-F47 HydrophobicContact CG-CG 3.73Å; R18-F47 HydrophobicContact CG-CZ 4Å; R18-F47 PolarHBondContact NH2-O 3.01Å |
| 19 | D | 88.1 | Confident | 91.9 | Very high | 57 Ų | 57 | 103.7 Ų | 103.7 | 31% | 0.305 | 56% | 0.555 | S | S | . | * | trans | -125.5 | 113.3 | 178 | -167.8 | -3.1 | 0 | 0 | 0 | 109.8 | N17 T21 G22 E23 L24 | N17-D19 PolarHBondContact O-N 3.05Å; D19-T21 PolarHBondContact OD1-N 3.07Å; D19-T21 VanDerWaalsContact OD1-N 3.08Å; D19-T21 PolarHBondContact OD1-OG1 3.29Å; D19-G22 VanDerWaalsContact CG-N 3.26Å; D19-G22 PolarHBondContact OD1-N 3.07Å; D19-G22 WeakPolarHBondContact OD2-CA 3.49Å; D19-G22 PolarHBondContact OD2-N 3.19Å; D19-E23 PolarHBondContact OD2-N 3.48Å; D19-L24 HydrophobicContact CB-CB 4.27Å; D19-L24 HydrophobicContact CB-CD1 3.81Å; D19-L24 HydrophobicContact CB-CG 4.37Å; D19-L24 WeakPolarHBondContact OD2-CB 3.07Å; D19-L24 PolarHBondContact OD2-N 3.26Å | ||
| 20 | L | 85.4 | Confident | 91.7 | Very high | 181 Ų | 181 | 101.4 Ų | 101.4 | 95% | 0.948 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -94.5 | -20.2 | 178.8 | -66.6 | 167.8 | 0 | 0 | 0 | 111.9 | ||
| 21 | T | 89.3 | Confident | 91.6 | Very high | 102 Ų | 102 | 102.7 Ų | 102.7 | 63% | 0.626 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -102.5 | -18.8 | -175 | 52 | 0 | 0 | 0 | 0 | 112.4 | D19 | D19-T21 PolarHBondContact OD1-N 3.07Å; D19-T21 VanDerWaalsContact OD1-N 3.08Å; D19-T21 PolarHBondContact OD1-OG1 3.29Å |
| 22 | G | 85.5 | Confident | 91.4 | Very high | 50 Ų | 50 | 105.5 Ų | 105.5 | 52% | 0.515 | 56% | 0.561 | S | S | . | * | S | Bend | trans | 79.2 | 25 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | D19 | D19-G22 VanDerWaalsContact CG-N 3.26Å; D19-G22 PolarHBondContact OD1-N 3.07Å; D19-G22 WeakPolarHBondContact OD2-CA 3.49Å; D19-G22 PolarHBondContact OD2-N 3.19Å |
| 23 | E | 88.8 | Confident | 91.3 | Very high | 163 Ų | 163 | 106 Ų | 106 | 76% | 0.762 | 56% | 0.563 | S | S | * | * | trans | -93.7 | -14.9 | -177 | -65.9 | -179.9 | 163.2 | 0 | 0 | 113.1 | D19 E25 | D19-E23 PolarHBondContact OD2-N 3.48Å; E23-E25 PolarHBondContact O-N 2.88Å | ||
| 24 | L | 92.7 | Very high | 91 | Very high | 84 Ų | 84 | 105.4 Ų | 105.4 | 44% | 0.44 | 56% | 0.563 | S | S | . | * | trans | -77.4 | 118 | -178.4 | -76.5 | 168.5 | 0 | 0 | 0 | 111.3 | N17 D19 Y26 | N17-L24 HydrophobicContact CB-CD1 3.95Å; D19-L24 HydrophobicContact CB-CB 4.27Å; D19-L24 HydrophobicContact CB-CD1 3.81Å; D19-L24 HydrophobicContact CB-CG 4.37Å; D19-L24 WeakPolarHBondContact OD2-CB 3.07Å; D19-L24 PolarHBondContact OD2-N 3.26Å; L24-Y26 HydrophobicContact CB-CE2 4.22Å | ||
| 25 | E | 92.8 | Very high | 90.7 | Very high | 121 Ų | 121 | 106.5 Ų | 106.5 | 57% | 0.565 | 57% | 0.573 | S | S | * | * | trans | -105.2 | 138.8 | 176 | -172.6 | 170.7 | 171.2 | 0 | 0 | 111.3 | E23 R60 | E23-E25 PolarHBondContact O-N 2.88Å; E25-R60 IonicContact OE2-CZ 3.66Å; E25-R60 IonicContact OE2-NH1 2.67Å; E25-R60 PolarHBondContact OE2-NH1 2.67Å | ||
| 26 | Y | 94 | Very high | 90.5 | Very high | 69 Ų | 69 | 104.2 Ų | 104.2 | 27% | 0.271 | 55% | 0.553 | S | S | . | * | trans | -116.7 | 114 | 176.7 | -61.1 | -90 | 0 | 0 | 0 | 109.6 | F14 L16 N17 L24 T28 | F14-Y26 HydrophobicContact CB-CD1 4.33Å; F14-Y26 HydrophobicContact CD1-CD1 4.17Å; F14-Y26 HydrophobicContact CD1-CG 4.29Å; F14-Y26 HydrophobicContact CG-CD1 4.48Å; F14-Y26 HydrophobicContact CG-CG 4.48Å; L16-Y26 WeakPolarHBondContact CA-OH 3.22Å; L16-Y26 HydrophobicContact CD2-CD1 4.27Å; L16-Y26 HydrophobicContact CD2-CD2 3.88Å; L16-Y26 HydrophobicContact CD2-CE1 3.94Å; L16-Y26 HydrophobicContact CD2-CE2 3.55Å; L16-Y26 HydrophobicContact CD2-CG 4.25Å; N17-Y26 PolarHBondContact N-OH 3.01Å; L24-Y26 HydrophobicContact CB-CE2 4.22Å; Y26-T28 PolarHBondContact O-N 2.81Å | ||
| 27 | A | 94 | Very high | 90.3 | Very high | 80 Ų | 80 | 105.9 Ų | 105.9 | 66% | 0.661 | 56% | 0.555 | S | S | * | * | trans | -70 | 129.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q12 F14 | Q12-A27 PolarHBondContact NE2-O 2.64Å; F14-A27 WeakPolarHBondContact CE1-O 3.35Å | ||
| 28 | T | 93.9 | Very high | 90.3 | Very high | 72 Ų | 72 | 109.3 Ų | 109.3 | 44% | 0.442 | 57% | 0.567 | S | S | . | * | trans | -83.8 | 155.6 | 172.9 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | Q12 F14 Y26 I30 F33 | Q12-T28 VanDerWaalsContact OE1-CA 3.28Å; F14-T28 HydrophobicContact CZ-CG2 4.24Å; Y26-T28 PolarHBondContact O-N 2.81Å; T28-I30 PolarHBondContact O-N 3.3Å; T28-F33 HydrophobicContact CG2-CD2 4.36Å | ||
| 29 | K | 93.2 | Very high | 90.5 | Very high | 122 Ų | 122 | 104.4 Ų | 104.4 | 53% | 0.53 | 55% | 0.554 | S | S | . | * | trans | -77 | 109.3 | 172.6 | -69.6 | 177.1 | -177 | 174.3 | 0 | 109.2 | S31 R32 F33 | K29-S31 PolarHBondContact O-N 2.92Å; K29-S31 VanDerWaalsContact O-N 3.07Å; K29-R32 HydrophobicContact CB-CB 4.4Å; K29-R32 HydrophobicContact CB-CG 4.27Å; K29-R32 PolarHBondContact O-N 3.28Å; K29-F33 WeakPolarHBondContact O-CD2 3.4Å; K29-F33 PolarHBondContact O-N 3.22Å | ||
| 30 | I | 89.4 | Confident | 90.8 | Very high | 141 Ų | 141 | 104.8 Ų | 104.8 | 72% | 0.723 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -50.3 | -40.6 | -178.3 | -60 | 173.1 | 0 | 0 | 0 | 111.9 | T28 R32 F33 S34 | T28-I30 PolarHBondContact O-N 3.3Å; I30-R32 PolarHBondContact O-N 3.08Å; I30-R32 VanDerWaalsContact O-N 3.16Å; I30-F33 PolarHBondContact O-N 3.18Å; I30-S34 WeakPolarHBondContact O-CB 3.39Å; I30-S34 PolarHBondContact O-N 2.84Å |
| 31 | S | 90.6 | Very high | 91.2 | Very high | 102 Ų | 102 | 100.8 Ų | 100.8 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.9 | -20.6 | 179.6 | 56.8 | 0 | 0 | 0 | 0 | 115.1 | K29 | K29-S31 PolarHBondContact O-N 2.92Å; K29-S31 VanDerWaalsContact O-N 3.07Å |
| 32 | R | 90.9 | Very high | 91.4 | Very high | 158 Ų | 158 | 100.3 Ų | 100.3 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -98.4 | -27.4 | 177.2 | -63.6 | -64.8 | -178.1 | 156.9 | 0.1 | 112.4 | K29 I30 | K29-R32 HydrophobicContact CB-CB 4.4Å; K29-R32 HydrophobicContact CB-CG 4.27Å; K29-R32 PolarHBondContact O-N 3.28Å; I30-R32 PolarHBondContact O-N 3.08Å; I30-R32 VanDerWaalsContact O-N 3.16Å |
| 33 | F | 92.8 | Very high | 91.8 | Very high | 52 Ų | 52 | 101.5 Ų | 101.5 | 23% | 0.228 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -114.2 | 21.2 | -172.3 | -65 | -89.9 | 0 | 0 | 0 | 113.8 | D11 Q12 T28 K29 I30 N35 V36 L39 | D11-F33 HydrophobicContact CB-CE2 4.29Å; D11-F33 HydrophobicContact CB-CZ 3.97Å; Q12-F33 HydrophobicContact CB-CE2 3.87Å; Q12-F33 HydrophobicContact CB-CZ 4.13Å; T28-F33 HydrophobicContact CG2-CD2 4.36Å; K29-F33 WeakPolarHBondContact O-CD2 3.4Å; K29-F33 PolarHBondContact O-N 3.22Å; I30-F33 PolarHBondContact O-N 3.18Å; F33-N35 PolarHBondContact O-N 3.16Å; F33-V36 HydrophobicContact CB-CG2 3.92Å; F33-V36 HydrophobicContact CD1-CG2 3.9Å; F33-V36 HydrophobicContact CG-CG2 4.37Å; F33-V36 WeakPolarHBondContact O-CG2 3.32Å; F33-L39 HydrophobicContact CE1-CD1 4.13Å |
| 34 | S | 89.1 | Confident | 92 | Very high | 96 Ų | 96 | 98.2 Ų | 98.2 | 67% | 0.671 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -18 | -177.3 | 59.7 | 0 | 0 | 0 | 0 | 115 | I30 | I30-S34 WeakPolarHBondContact O-CB 3.39Å; I30-S34 PolarHBondContact O-N 2.84Å |
| 35 | N | 87.9 | Confident | 92 | Very high | 99 Ų | 99 | 102.9 Ų | 102.9 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.3 | 63.1 | -176.8 | -168.2 | 24.4 | 0 | 0 | 0 | 111.6 | F33 Y37 | F33-N35 PolarHBondContact O-N 3.16Å; N35-Y37 WeakPolarHBondContact OD1-CE2 3.11Å |
| 36 | V | 89.6 | Confident | 92 | Very high | 64 Ų | 64 | 99.8 Ų | 99.8 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | trans | -95.9 | 113.7 | -171.9 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | F33 L39 | F33-V36 HydrophobicContact CB-CG2 3.92Å; F33-V36 HydrophobicContact CD1-CG2 3.9Å; F33-V36 HydrophobicContact CG-CG2 4.37Å; F33-V36 WeakPolarHBondContact O-CG2 3.32Å; V36-L39 HydrophobicContact CG1-CB 4.18Å | ||
| 37 | Y | 89.2 | Confident | 92 | Very high | 123 Ų | 123 | 101.4 Ų | 101.4 | 48% | 0.482 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -100.8 | -25.9 | 170 | -68.6 | -84.9 | 0 | 0 | 0 | 112.7 | N35 | N35-Y37 WeakPolarHBondContact OD1-CE2 3.11Š|
| 38 | H | 91.1 | Very high | 91.9 | Very high | 178 Ų | 178 | 101.3 Ų | 101.3 | 82% | 0.824 | 54% | 0.539 | S | S | * | . | trans | -134.5 | 125.7 | 179.5 | -58.5 | -68.8 | 0 | 0 | 0 | 108.5 | ||||
| 39 | L | 92.3 | Very high | 91.8 | Very high | 79 Ų | 79 | 100.7 Ų | 100.7 | 41% | 0.414 | 54% | 0.54 | S | S | . | . | trans | -116.1 | 135.1 | 176.1 | -179.8 | 64 | 0 | 0 | 0 | 108.9 | F33 V36 I41 L59 | F33-L39 HydrophobicContact CE1-CD1 4.13Å; V36-L39 HydrophobicContact CG1-CB 4.18Å; L39-I41 HydrophobicContact CD2-CD1 4.21Å; L39-I41 HydrophobicContact CD2-CG1 4.37Å; L39-I41 HydrophobicContact CG-CG1 4.23Å; L39-L59 HydrophobicContact CD2-CD1 3.68Å; L39-L59 HydrophobicContact CD2-CD2 3.8Å; L39-L59 HydrophobicContact CD2-CG 4.42Å | ||
| 40 | S | 94.1 | Very high | 91.8 | Very high | 64 Ų | 64 | 103 Ų | 103 | 45% | 0.448 | 56% | 0.559 | S | S | . | * | trans | -129 | 131.9 | 172.4 | -63.1 | 0 | 0 | 0 | 0 | 108.9 | M1 | M1-S40 WeakPolarHBondContact SD-CB 3.36Š| ||
| 41 | I | 94.1 | Very high | 91.9 | Very high | 98 Ų | 98 | 101 Ų | 101 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | trans | -118.6 | 119.4 | -177.4 | -59.9 | 173.1 | 0 | 0 | 0 | 107.3 | L39 I43 I57 | L39-I41 HydrophobicContact CD2-CD1 4.21Å; L39-I41 HydrophobicContact CD2-CG1 4.37Å; L39-I41 HydrophobicContact CG-CG1 4.23Å; I41-I43 HydrophobicContact CG2-CG1 4.42Å; I41-I57 HydrophobicContact CD1-CD1 4.25Å; I41-I57 HydrophobicContact CD1-CG2 4.1Å | ||
| 42 | H | 94.6 | Very high | 92 | Very high | 92 Ų | 92 | 99.5 Ų | 99.5 | 43% | 0.426 | 54% | 0.54 | S | S | . | . | trans | -108 | 123.7 | 176.5 | 179.4 | -136.7 | 0 | 0 | 0 | 110.3 | T6 | T6-H42 HydrophobicContact CG2-CB 4.29Š| ||
| 43 | I | 93.4 | Very high | 92 | Very high | 74 Ų | 74 | 99.6 Ų | 99.6 | 38% | 0.379 | 55% | 0.545 | S | S | . | . | trans | -105.7 | 98.1 | 177.1 | -56.3 | 171.9 | 0 | 0 | 0 | 108.2 | I41 T52 V54 | I41-I43 HydrophobicContact CG2-CG1 4.42Å; I43-T52 HydrophobicContact CG2-CG2 4.2Å; I43-V54 HydrophobicContact CD1-CG2 3.6Å | ||
| 44 | S | 92.4 | Very high | 91.9 | Very high | 94 Ų | 94 | 100.9 Ų | 100.9 | 66% | 0.657 | 56% | 0.557 | S | S | * | * | trans | -82.6 | -27.4 | -172.7 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 45 | K | 92.5 | Very high | 91.9 | Very high | 183 Ų | 183 | 105.5 Ų | 105.5 | 80% | 0.796 | 57% | 0.565 | S | S | * | * | trans | -147.1 | 161.5 | -177 | -66.7 | -174.6 | -178.9 | 177.9 | 0 | 111.1 | ||||
| 46 | N | 93.6 | Very high | 92 | Very high | 56 Ų | 56 | 109.3 Ų | 109.3 | 30% | 0.299 | 57% | 0.573 | S | S | . | * | trans | -132.1 | -172.5 | 175.9 | 70.2 | 28.3 | 0 | 0 | 0 | 111.2 | G48 A49 T52 | N46-G48 PolarHBondContact O-N 2.88Å; N46-G48 VanDerWaalsContact O-N 3.07Å; N46-G48 PolarHBondContact OD1-N 3.05Å; N46-A49 VanDerWaalsContact CG-O 3.31Å; N46-A49 PolarHBondContact ND2-O 2.86Å; N46-A49 PolarHBondContact OD1-N 3.07Å; N46-A49 PolarHBondContact OD1-O 3.48Å; N46-T52 HydrophobicContact CB-CG2 4.37Å; N46-T52 VanDerWaalsContact CB-OG1 3.31Å; N46-T52 WeakPolarHBondContact CB-OG1 3.41Å; N46-T52 PolarHBondContact ND2-OG1 3.16Å | ||
| 47 | F | 92.9 | Very high | 92.1 | Very high | 102 Ų | 102 | 110.7 Ų | 110.7 | 45% | 0.447 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -83.8 | 37.4 | -175 | -55.6 | -84.4 | 0 | 0 | 0 | 114.7 | L16 N17 R18 | L16-F47 HydrophobicContact CB-CZ 4.23Å; L16-F47 WeakPolarHBondContact O-CE1 3.19Å; L16-F47 WeakPolarHBondContact O-CZ 3.2Å; N17-F47 VanDerWaalsContact C-CZ 3.41Å; R18-F47 HydrophobicContact CG-CB 4.41Å; R18-F47 HydrophobicContact CG-CD1 3.79Å; R18-F47 HydrophobicContact CG-CD2 3.81Å; R18-F47 HydrophobicContact CG-CE1 3.92Å; R18-F47 HydrophobicContact CG-CE2 3.94Å; R18-F47 HydrophobicContact CG-CG 3.73Å; R18-F47 HydrophobicContact CG-CZ 4Å; R18-F47 PolarHBondContact NH2-O 3.01Å |
| 48 | G | 91.4 | Very high | 92.3 | Very high | 79 Ų | 79 | 106.8 Ų | 106.8 | 81% | 0.814 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 88.3 | 22.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N46 | N46-G48 PolarHBondContact O-N 2.88Å; N46-G48 VanDerWaalsContact O-N 3.07Å; N46-G48 PolarHBondContact OD1-N 3.05Å |
| 49 | A | 91.8 | Very high | 92.3 | Very high | 58 Ų | 58 | 104.3 Ų | 104.3 | 48% | 0.479 | 57% | 0.567 | S | S | . | * | trans | -106.6 | 157.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | N46 T51 | N46-A49 VanDerWaalsContact CG-O 3.31Å; N46-A49 PolarHBondContact ND2-O 2.86Å; N46-A49 PolarHBondContact OD1-N 3.07Å; N46-A49 PolarHBondContact OD1-O 3.48Å; A49-T51 VanDerWaalsContact C-N 3.3Å; A49-T51 PolarHBondContact O-N 3.47Å | ||
| 50 | D | 93.4 | Very high | 92.2 | Very high | 172 Ų | 172 | 110.3 Ų | 110.3 | 92% | 0.92 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -69.2 | -30.8 | 179.3 | -60.1 | -32.9 | 0 | 0 | 0 | 112.7 | ||
| 51 | T | 92.4 | Very high | 92 | Very high | 97 Ų | 97 | 110.6 Ų | 110.6 | 60% | 0.595 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -128.5 | 134 | -177.4 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | A49 | A49-T51 VanDerWaalsContact C-N 3.3Å; A49-T51 PolarHBondContact O-N 3.47Å |
| 52 | T | 92.5 | Very high | 91.7 | Very high | 72 Ų | 72 | 115 Ų | 115 | 44% | 0.442 | 62% | 0.616 | S | S | . | * | trans | -88.2 | 126.8 | 171.3 | -50.6 | 0 | 0 | 0 | 0 | 109.9 | I43 N46 V54 | I43-T52 HydrophobicContact CG2-CG2 4.2Å; N46-T52 HydrophobicContact CB-CG2 4.37Å; N46-T52 VanDerWaalsContact CB-OG1 3.31Å; N46-T52 WeakPolarHBondContact CB-OG1 3.41Å; N46-T52 PolarHBondContact ND2-OG1 3.16Å; T52-V54 HydrophobicContact CG2-CG2 4.24Å | ||
| 53 | K | 90.5 | Very high | 91.2 | Very high | 160 Ų | 160 | 119.3 Ų | 119.3 | 70% | 0.696 | 63% | 0.628 | S | S | * | * | trans | -112.5 | 122.7 | 172.5 | -65.9 | -178.8 | -177.9 | 177.9 | 0 | 109 | F55 | K53-F55 HydrophobicContact CB-CE2 4.21Å; K53-F55 HydrophobicContact CB-CZ 4.43Å | ||
| 54 | V | 90.1 | Very high | 90.6 | Very high | 79 Ų | 79 | 121.5 Ų | 121.5 | 48% | 0.479 | 65% | 0.645 | S | S | . | * | trans | -110.9 | 116.2 | 176.2 | -176.4 | 0 | 0 | 0 | 0 | 107.6 | I43 T52 I57 | I43-V54 HydrophobicContact CD1-CG2 3.6Å; T52-V54 HydrophobicContact CG2-CG2 4.24Å; V54-I57 HydrophobicContact CG1-CD1 4.01Å; V54-I57 HydrophobicContact CG1-CG1 3.68Å | ||
| 55 | F | 90.6 | Very high | 89.9 | Confident | 193 Ų | 193 | 123.3 Ų | 123.3 | 85% | 0.846 | 64% | 0.643 | S | S | * | * | trans | -88.2 | -37.1 | -179.4 | -66.3 | -84.1 | 0 | 0 | 0 | 112 | K53 | K53-F55 HydrophobicContact CB-CE2 4.21Å; K53-F55 HydrophobicContact CB-CZ 4.43Å | ||
| 56 | Y | 89.9 | Confident | 88.7 | Confident | 178 Ų | 178 | 119.5 Ų | 119.5 | 70% | 0.698 | 63% | 0.631 | S | S | * | * | trans | -150.9 | 142.7 | -175 | -178.4 | -108.1 | 0 | 0 | 0 | 111.5 | ||||
| 57 | I | 91.9 | Very high | 87.4 | Confident | 93 Ų | 93 | 126.3 Ų | 126.3 | 48% | 0.477 | 65% | 0.653 | S | S | . | * | trans | -130.5 | 111.7 | 168.8 | -60.9 | 178 | 0 | 0 | 0 | 106.8 | I41 V54 L59 | I41-I57 HydrophobicContact CD1-CD1 4.25Å; I41-I57 HydrophobicContact CD1-CG2 4.1Å; V54-I57 HydrophobicContact CG1-CD1 4.01Å; V54-I57 HydrophobicContact CG1-CG1 3.68Å; I57-L59 HydrophobicContact CG2-CD2 4.07Å | ||
| 58 | G | 92 | Very high | 85.9 | Confident | 42 Ų | 42 | 131.5 Ų | 131.5 | 43% | 0.433 | 67% | 0.669 | S | S | . | * | trans | -92.7 | 124.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 59 | L | 92.7 | Very high | 84.3 | Confident | 126 Ų | 126 | 134.5 Ų | 134.5 | 66% | 0.66 | 66% | 0.662 | S | S | * | * | trans | -103.8 | 120.6 | 170.9 | -57.4 | 179.6 | 0 | 0 | 0 | 108.6 | L39 I57 | L39-L59 HydrophobicContact CD2-CD1 3.68Å; L39-L59 HydrophobicContact CD2-CD2 3.8Å; L39-L59 HydrophobicContact CD2-CG 4.42Å; I57-L59 HydrophobicContact CG2-CD2 4.07Å | ||
| 60 | R | 90.3 | Very high | 82.4 | Confident | 205 Ų | 205 | 140.6 Ų | 140.6 | 77% | 0.774 | 68% | 0.68 | S | S | * | * | trans | -109.4 | 133.2 | 175.7 | -72.3 | -173.1 | 171.9 | 165.5 | -1.2 | 110 | E25 | E25-R60 IonicContact OE2-CZ 3.66Å; E25-R60 IonicContact OE2-NH1 2.67Å; E25-R60 PolarHBondContact OE2-NH1 2.67Å | ||
| 61 | G | 88.8 | Confident | 80.4 | Confident | 70 Ų | 70 | 138.1 Ų | 138.1 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | trans | 169.7 | 165.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 62 | E | 87.6 | Confident | 78.4 | Confident | 191 Ų | 191 | 138.2 Ų | 138.2 | 89% | 0.893 | 67% | 0.671 | S | S | * | * | trans | -96.3 | 136.2 | 171.9 | -63.4 | -61 | 145.3 | 0 | 0 | 108.6 | ||||
| 63 | W | 83.5 | Confident | 76.7 | Confident | 182 Ų | 182 | 140.8 Ų | 140.8 | 69% | 0.689 | 68% | 0.681 | S | S | * | * | trans | -110.4 | 130.8 | 171.4 | -179.3 | 86.9 | 0 | 0 | 0 | 109.4 | E65 | W63-E65 HydrophobicContact CH2-CB 3.52Å; W63-E65 HydrophobicContact CH2-CG 4Å; W63-E65 HydrophobicContact CZ2-CB 4.1Å; W63-E65 HydrophobicContact CZ2-CG 4.41Å; W63-E65 HydrophobicContact CZ3-CB 3.98Å | ||
| 64 | T | 81.4 | Confident | 74.8 | Confident | 119 Ų | 119 | 138.2 Ų | 138.2 | 73% | 0.73 | 68% | 0.682 | S | S | * | * | trans | -126.1 | 132.3 | 172.8 | -56.6 | 0 | 0 | 0 | 0 | 108.3 | L66 | T64-L66 PolarHBondContact O-N 3.38Å; T64-L66 VanDerWaalsContact O-N 3.16Å | ||
| 65 | E | 78.9 | Confident | 73.3 | Confident | 133 Ų | 133 | 140.2 Ų | 140.2 | 62% | 0.621 | 69% | 0.69 | S | S | * | * | trans | -63.1 | 118 | 173.1 | -168.9 | 172.8 | -161.7 | 0 | 0 | 109.7 | W63 R67 | W63-E65 HydrophobicContact CH2-CB 3.52Å; W63-E65 HydrophobicContact CH2-CG 4Å; W63-E65 HydrophobicContact CZ2-CB 4.1Å; W63-E65 HydrophobicContact CZ2-CG 4.41Å; W63-E65 HydrophobicContact CZ3-CB 3.98Å; E65-R67 VanDerWaalsContact C-N 3.34Å; E65-R67 PolarHBondContact O-N 2.75Å | ||
| 66 | L | 66.4 | Low | 71.3 | Confident | 102 Ų | 102 | 141.1 Ų | 141.1 | 53% | 0.534 | 69% | 0.69 | S | S | . | * | trans | -70.8 | 95.4 | 172.1 | -163.3 | 77.7 | 0 | 0 | 0 | 107.7 | T64 R68 | T64-L66 PolarHBondContact O-N 3.38Å; T64-L66 VanDerWaalsContact O-N 3.16Å; L66-R68 VanDerWaalsContact C-N 3.28Å; L66-R68 PolarHBondContact O-N 3.39Å | ||
| 67 | R | 66.6 | Low | 69.9 | Low | 200 Ų | 200 | 140.8 Ų | 140.8 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | trans | -62.2 | 93.2 | 172.1 | -64.3 | -170.4 | -167.3 | 177.3 | 5.3 | 108.3 | E65 H69 | E65-R67 VanDerWaalsContact C-N 3.34Å; E65-R67 PolarHBondContact O-N 2.75Å; R67-H69 PolarHBondContact O-N 3.3Å | ||
| 68 | R | 60.7 | Low | 68.3 | Low | 210 Ų | 210 | 140.2 Ų | 140.2 | 79% | 0.792 | 70% | 0.704 | S | S | * | * | trans | -63.2 | 92.4 | 160.7 | -66.4 | -175.2 | -178.5 | -175.6 | 1.3 | 105 | L66 E70 | L66-R68 VanDerWaalsContact C-N 3.28Å; L66-R68 PolarHBondContact O-N 3.39Å; R68-E70 PolarHBondContact O-N 2.88Å | ||
| 69 | H | 59.1 | Low | 66.8 | Low | 143 Ų | 143 | 143.1 Ų | 143.1 | 66% | 0.662 | 72% | 0.718 | S | S | * | * | trans | -57.1 | 103.7 | 162.2 | -87.2 | 68 | 0 | 0 | 0 | 104.6 | R67 V71 | R67-H69 PolarHBondContact O-N 3.3Å; H69-V71 VanDerWaalsContact C-N 3.33Å; H69-V71 PolarHBondContact O-N 2.83Å | ||
| 70 | E | 50.8 | Low | 65.3 | Low | 186 Ų | 186 | 140.8 Ų | 140.8 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -50.8 | 108.2 | 165.2 | -70.7 | -177.8 | 153.8 | 0 | 0 | 105.5 | R68 T72 | R68-E70 PolarHBondContact O-N 2.88Å; E70-T72 PolarHBondContact O-N 2.91Å |
| 71 | V | 52.6 | Low | 64.1 | Low | 119 Ų | 119 | 135.3 Ų | 135.3 | 72% | 0.721 | 70% | 0.702 | S | S | * | * | trans | 24.3 | 93.7 | 173.3 | -173 | 0 | 0 | 0 | 0 | 112.3 | H69 I73 | H69-V71 VanDerWaalsContact C-N 3.33Å; H69-V71 PolarHBondContact O-N 2.83Å; V71-I73 VanDerWaalsContact C-N 3.28Å; V71-I73 HydrophobicContact CG1-CG1 4.43Å; V71-I73 PolarHBondContact O-N 2.79Å | ||
| 72 | T | 49.6 | Very low | 62.8 | Low | 99 Ų | 99 | 137.3 Ų | 137.3 | 61% | 0.607 | 70% | 0.702 | S | S | * | * | trans | -51.9 | 104.1 | 159.7 | -55.3 | 0 | 0 | 0 | 0 | 106.2 | E70 C74 | E70-T72 PolarHBondContact O-N 2.91Å; T72-C74 PolarHBondContact O-N 3Å | ||
| 73 | I | 57 | Low | 61.7 | Low | 126 Ų | 126 | 132.1 Ų | 132.1 | 65% | 0.646 | 69% | 0.692 | S | S | * | * | trans | -69.1 | 88.3 | 177.9 | -61.8 | -179.4 | 0 | 0 | 0 | 105.4 | V71 N75 | V71-I73 VanDerWaalsContact C-N 3.28Å; V71-I73 HydrophobicContact CG1-CG1 4.43Å; V71-I73 PolarHBondContact O-N 2.79Å; I73-N75 HydrophobicContact CG2-CB 3.67Å; I73-N75 PolarHBondContact O-N 2.77Å | ||
| 74 | C | 49.7 | Very low | 60.7 | Low | 107 Ų | 107 | 129.6 Ų | 129.6 | 72% | 0.723 | 69% | 0.692 | S | S | * | * | trans | -77.9 | 49.6 | 168.6 | -61.2 | 0 | 0 | 0 | 0 | 109.2 | T72 Y76 | T72-C74 PolarHBondContact O-N 3Å; C74-Y76 PolarHBondContact O-N 2.99Å | ||
| 75 | N | 58.6 | Low | 59.9 | Low | 121 Ų | 121 | 130.2 Ų | 130.2 | 65% | 0.647 | 69% | 0.687 | S | S | * | * | trans | -80.7 | 73.5 | 169.5 | -74.4 | 1.6 | 0 | 0 | 0 | 107.8 | I73 E77 A78 | I73-N75 HydrophobicContact CG2-CB 3.67Å; I73-N75 PolarHBondContact O-N 2.77Å; N75-E77 VanDerWaalsContact C-N 3.32Å; N75-A78 HydrophobicContact CB-CB 4.18Å | ||
| 76 | Y | 49.9 | Very low | 59 | Low | 212 Ų | 212 | 135.1 Ų | 135.1 | 83% | 0.831 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -82.2 | -8.2 | 173.3 | -168.3 | -107.5 | 0 | 0 | 0 | 113.1 | C74 | C74-Y76 PolarHBondContact O-N 2.99Š|
| 77 | E | 59 | Low | 58.8 | Low | 170 Ų | 170 | 136.3 Ų | 136.3 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -141.5 | 17 | -174 | -61 | -176.8 | -174 | 0 | 0 | 114.8 | N75 S79 | N75-E77 VanDerWaalsContact C-N 3.32Å; E77-S79 PolarHBondContact O-N 3.17Å |
| 78 | A | 58.6 | Low | 58.3 | Low | 82 Ų | 82 | 135 Ų | 135 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -72.9 | -7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N75 | N75-A78 HydrophobicContact CB-CB 4.18Š|
| 79 | S | 60.7 | Low | 58.1 | Low | 103 Ų | 103 | 133.3 Ų | 133.3 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -134.1 | 127.3 | 178.9 | 44.1 | 0 | 0 | 0 | 0 | 110.3 | E77 N81 | E77-S79 PolarHBondContact O-N 3.17Å; S79-N81 PolarHBondContact O-N 3.31Å |
| 80 | A | 60.7 | Low | 58 | Low | 76 Ų | 76 | 132.9 Ų | 132.9 | 63% | 0.628 | 72% | 0.721 | S | S | * | * | trans | -55.1 | 127.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P82 | A80-P82 VanDerWaalsContact O-CD 3.28Å; A80-P82 WeakPolarHBondContact O-CD 3.28Å | ||
| 81 | N | 66.9 | Low | 57.8 | Low | 91 Ų | 91 | 129.2 Ų | 129.2 | 49% | 0.487 | 71% | 0.712 | S | S | . | * | trans | -70.1 | 117 | 174.6 | -176.2 | 2.2 | 0 | 0 | 0 | 109.3 | S79 A83 D84 | S79-N81 PolarHBondContact O-N 3.31Å; N81-A83 PolarHBondContact O-N 3.15Å; N81-A83 WeakPolarHBondContact OD1-CB 3.41Å; N81-A83 PolarHBondContact OD1-N 3.07Å; N81-A83 VanDerWaalsContact OD1-N 3.15Å; N81-D84 PolarHBondContact O-N 3.05Å | ||
| 82 | P | 61 | Low | 57.8 | Low | 111 Ų | 111 | 128.5 Ų | 128.5 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -19.7 | 179.1 | -21.3 | 32.8 | 0 | 0 | 0 | 113.5 | A80 | A80-P82 VanDerWaalsContact O-CD 3.28Å; A80-P82 WeakPolarHBondContact O-CD 3.28Å |
| 83 | A | 64 | Low | 57.7 | Low | 82 Ų | 82 | 131.6 Ų | 131.6 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -22.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N81 | N81-A83 PolarHBondContact O-N 3.15Å; N81-A83 WeakPolarHBondContact OD1-CB 3.41Å; N81-A83 PolarHBondContact OD1-N 3.07Å; N81-A83 VanDerWaalsContact OD1-N 3.15Å |
| 84 | D | 63.1 | Low | 57.6 | Low | 129 Ų | 129 | 130.8 Ų | 130.8 | 69% | 0.69 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -16.7 | -179.7 | -89.3 | -20.6 | 0 | 0 | 0 | 113.4 | N81 R86 | N81-D84 PolarHBondContact O-N 3.05Å; D84-R86 PolarHBondContact O-N 3.17Å |
| 85 | H | 63.5 | Low | 57.5 | Low | 133 Ų | 133 | 133.3 Ų | 133.3 | 62% | 0.616 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -96.1 | 99.9 | 176.8 | -71.2 | 145.2 | 0 | 0 | 0 | 111 | V87 | H85-V87 PolarHBondContact O-N 2.95Š|
| 86 | R | 60.1 | Low | 57 | Low | 235 Ų | 235 | 136.7 Ų | 136.7 | 89% | 0.887 | 73% | 0.728 | S | S | * | * | trans | -64.8 | 103.4 | 171.3 | -66.3 | -176.2 | -178.5 | -179.7 | 1 | 110.2 | D84 H88 | D84-R86 PolarHBondContact O-N 3.17Å; R86-H88 PolarHBondContact O-N 3.01Å; R86-H88 VanDerWaalsContact O-N 3.17Å | ||
| 87 | V | 63 | Low | 56.6 | Low | 128 Ų | 128 | 134.6 Ų | 134.6 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | -68.5 | 110.2 | 168.6 | -170.9 | 0 | 0 | 0 | 0 | 107.6 | H85 Q89 | H85-V87 PolarHBondContact O-N 2.95Å; V87-Q89 PolarHBondContact O-N 3.5Å | ||
| 88 | H | 55.8 | Low | 55.8 | Low | 172 Ų | 172 | 135.2 Ų | 135.2 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | -64.4 | 100.3 | 168.2 | -95.3 | 66.1 | 0 | 0 | 0 | 108.1 | R86 V90 | R86-H88 PolarHBondContact O-N 3.01Å; R86-H88 VanDerWaalsContact O-N 3.17Å; H88-V90 PolarHBondContact O-N 3.37Å | ||
| 89 | Q | 55.4 | Low | 55.7 | Low | 174 Ų | 174 | 137.9 Ų | 137.9 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | -67.6 | 102.7 | 168.7 | -77.8 | -174.7 | -26.2 | 0 | 0 | 108.3 | V87 T91 | V87-Q89 PolarHBondContact O-N 3.5Å; Q89-T91 PolarHBondContact O-N 3.05Å | ||
| 90 | V | 57.2 | Low | 55.4 | Low | 134 Ų | 134 | 139.7 Ų | 139.7 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | -76.2 | 100.6 | 164.6 | -179.6 | 0 | 0 | 0 | 0 | 106.8 | H88 | H88-V90 PolarHBondContact O-N 3.37Š| ||
| 91 | T | 48.4 | Very low | 55.1 | Low | 110 Ų | 110 | 143.2 Ų | 143.2 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | trans | -78.8 | 122 | 170.4 | -37.9 | 0 | 0 | 0 | 0 | 108.5 | Q89 Q93 | Q89-T91 PolarHBondContact O-N 3.05Å; T91-Q93 PolarHBondContact O-N 3.32Å | ||
| 92 | P | 51.8 | Low | 54.5 | Low | 104 Ų | 104 | 146.3 Ų | 146.3 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | trans | -73 | 119.4 | 171.5 | 22.9 | -18.7 | 0 | 0 | 0 | 108.5 | T94 | P92-T94 PolarHBondContact O-N 3.15Å; P92-T94 VanDerWaalsContact O-N 3.15Å | ||
| 93 | Q | 48.2 | Very low | 54 | Low | 163 Ų | 163 | 148.5 Ų | 148.5 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -73.1 | 102.9 | 172.7 | -71.3 | -164.4 | -12.2 | 0 | 0 | 109.4 | T91 H95 | T91-Q93 PolarHBondContact O-N 3.32Å; Q93-H95 PolarHBondContact O-N 3.22Å | ||
| 94 | T | 54.6 | Low | 53.4 | Low | 110 Ų | 110 | 152.9 Ų | 152.9 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | trans | -83.9 | 100.4 | 170.2 | -26.4 | 0 | 0 | 0 | 0 | 108.5 | P92 F96 | P92-T94 PolarHBondContact O-N 3.15Å; P92-T94 VanDerWaalsContact O-N 3.15Å; T94-F96 HydrophobicContact CG2-CD2 4.13Å; T94-F96 HydrophobicContact CG2-CE2 3.81Å; T94-F96 PolarHBondContact O-N 3.29Å | ||
| 95 | H | 47 | Very low | 52.7 | Low | 159 Ų | 159 | 154.6 Ų | 154.6 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | -72.9 | 108.8 | 167.9 | -74.7 | -73.8 | 0 | 0 | 0 | 109.3 | Q93 | Q93-H95 PolarHBondContact O-N 3.22Š| ||
| 96 | F | 47.1 | Very low | 51.9 | Low | 193 Ų | 193 | 156.3 Ų | 156.3 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -93.5 | 121.5 | 162.1 | -88.5 | -86.6 | 0 | 0 | 0 | 108.8 | T94 | T94-F96 HydrophobicContact CG2-CD2 4.13Å; T94-F96 HydrophobicContact CG2-CE2 3.81Å; T94-F96 PolarHBondContact O-N 3.29Å | ||
| 97 | I | 42.3 | Very low | 51.2 | Low | 167 Ų | 167 | 149.8 Ų | 149.8 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -100.5 | 123.8 | 170.3 | -59.9 | 171 | 0 | 0 | 0 | 107.3 | ||||
| 98 | S | 43.2 | Very low | 50.1 | Low | 183 Ų | 183 | 151.7 Ų | 151.7 | 100% | 1.28 | 81% | 0.812 | S | S | * | * | trans | -159 | 0 | 141.3 | -179.9 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 98 of 98 residues in 43.9 ms
(Link to these results)