| 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 | 74.9 | Confident | 92.4 | Very high | 162 Ų | 162 | 94 Ų | 94 | 80% | 0.798 | 47% | 0.466 | S | S | * | . | 0 | 137.1 | 0 | -66.7 | -176.7 | -165.4 | 0 | 0 | 110.3 | L6 H28 R29 | M1-L6 HydrophobicContact CB-CD1 4.38Å; M1-L6 HydrophobicContact CB-CD2 4.21Å; M1-L6 HydrophobicContact CB-CG 4.26Å; M1-L6 HydrophobicContact SD-CD2 4.02Å; M1-H28 PolarHBondContact O-NE2 3.03Å; M1-R29 PolarHBondContact O-NH1 3.49Å; M1-R29 PolarHBondContact O-NH2 3.34Å | |||
| 2 | D | 89 | Confident | 92.7 | Very high | 72 Ų | 72 | 98.4 Ų | 98.4 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | trans | -60.1 | 147.5 | 178.4 | -174.6 | 20.2 | 0 | 0 | 0 | 111.4 | S4 F5 L6 | D2-S4 PolarHBondContact O-N 3.17Å; D2-S4 WeakPolarHBondContact OD2-CB 3.47Å; D2-S4 PolarHBondContact OD2-OG 3.31Å; D2-F5 HydrophobicContact CB-CD2 3.94Å; D2-F5 HydrophobicContact CB-CE2 4.49Å; D2-F5 PolarHBondContact O-N 3.08Å; D2-L6 PolarHBondContact O-N 2.94Å | ||
| 3 | A | 91 | Very high | 93 | Very high | 3 Ų | 3 | 98.6 Ų | 98.6 | 3% | 0.025 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -59.8 | -36.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F5 L6 L7 F30 | A3-F5 PolarHBondContact O-N 3.3Å; A3-L6 PolarHBondContact O-N 2.88Å; A3-L7 HydrophobicContact CB-CD1 4.43Å; A3-L7 WeakPolarHBondContact O-CB 3.37Å; A3-L7 WeakPolarHBondContact O-CG 3.23Å; A3-L7 PolarHBondContact O-N 3.13Å; A3-F30 HydrophobicContact CB-CB 3.77Å; A3-F30 HydrophobicContact CB-CD1 4.22Å; A3-F30 HydrophobicContact CB-CD2 4.48Å; A3-F30 HydrophobicContact CB-CG 3.91Å |
| 4 | S | 90.9 | Very high | 93.1 | Very high | 49 Ų | 49 | 99.1 Ų | 99.1 | 34% | 0.343 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.6 | -47 | 179.7 | 66.1 | 0 | 0 | 0 | 0 | 112.5 | D2 L6 L7 L8 | D2-S4 PolarHBondContact O-N 3.17Å; D2-S4 WeakPolarHBondContact OD2-CB 3.47Å; D2-S4 PolarHBondContact OD2-OG 3.31Å; S4-L6 VanDerWaalsContact C-N 3.34Å; S4-L6 PolarHBondContact O-N 3.28Å; S4-L7 PolarHBondContact O-N 3.29Å; S4-L8 VanDerWaalsContact O-CB 3.31Å; S4-L8 WeakPolarHBondContact O-CB 3.22Å; S4-L8 WeakPolarHBondContact O-CG 3.45Å; S4-L8 PolarHBondContact O-N 3.5Å |
| 5 | F | 92.8 | Very high | 93.4 | Very high | 156 Ų | 156 | 99.4 Ų | 99.4 | 68% | 0.684 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.5 | -36.9 | 177.8 | -73.2 | -65.2 | 0 | 0 | 0 | 112.7 | D2 A3 Q9 | D2-F5 HydrophobicContact CB-CD2 3.94Å; D2-F5 HydrophobicContact CB-CE2 4.49Å; D2-F5 PolarHBondContact O-N 3.08Å; A3-F5 PolarHBondContact O-N 3.3Å; F5-Q9 PolarHBondContact O-N 3.25Å |
| 6 | L | 95.2 | Very high | 93.6 | Very high | 40 Ų | 40 | 94.2 Ų | 94.2 | 21% | 0.209 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -76.3 | -37.6 | -179.4 | -58.1 | 174.7 | 0 | 0 | 0 | 111.8 | M1 D2 A3 S4 Q9 R15 L16 | M1-L6 HydrophobicContact CB-CD1 4.38Å; M1-L6 HydrophobicContact CB-CD2 4.21Å; M1-L6 HydrophobicContact CB-CG 4.26Å; M1-L6 HydrophobicContact SD-CD2 4.02Å; D2-L6 PolarHBondContact O-N 2.94Å; A3-L6 PolarHBondContact O-N 2.88Å; S4-L6 VanDerWaalsContact C-N 3.34Å; S4-L6 PolarHBondContact O-N 3.28Å; L6-Q9 WeakPolarHBondContact O-CB 3.37Å; L6-R15 WeakPolarHBondContact O-CA 3.22Å; L6-R15 WeakPolarHBondContact O-CG 3.46Å; L6-L16 HydrophobicContact CB-CB 3.76Å; L6-L16 HydrophobicContact CB-CD2 4.42Å; L6-L16 HydrophobicContact CD1-CD1 4.48Å; L6-L16 PolarHBondContact O-N 3.34Å |
| 7 | L | 96.7 | Very high | 93.8 | Very high | 63 Ų | 63 | 89.6 Ų | 89.6 | 33% | 0.33 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70 | -32.5 | 175.9 | -73.5 | 168.3 | 0 | 0 | 0 | 112.3 | A3 S4 R15 L16 | A3-L7 HydrophobicContact CB-CD1 4.43Å; A3-L7 WeakPolarHBondContact O-CB 3.37Å; A3-L7 WeakPolarHBondContact O-CG 3.23Å; A3-L7 PolarHBondContact O-N 3.13Å; S4-L7 PolarHBondContact O-N 3.29Å; L7-R15 WeakPolarHBondContact O-CD 3.16Å; L7-R15 VanDerWaalsContact O-CG 3.29Å; L7-R15 WeakPolarHBondContact O-CG 3.38Å; L7-L16 HydrophobicContact CD2-CB 4.15Å; L7-L16 HydrophobicContact CD2-CD2 3.98Å; L7-L16 HydrophobicContact CD2-CG 4.42Å; L7-L16 HydrophobicContact CG-CB 4.42Å; L7-L16 HydrophobicContact CG-CD2 4.01Å |
| 8 | L | 96.2 | Very high | 93.9 | Very high | 146 Ų | 146 | 87.6 Ų | 87.6 | 76% | 0.764 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 17.2 | 179.4 | -59.7 | 178.6 | 0 | 0 | 0 | 113.1 | S4 K10 | S4-L8 VanDerWaalsContact O-CB 3.31Å; S4-L8 WeakPolarHBondContact O-CB 3.22Å; S4-L8 WeakPolarHBondContact O-CG 3.45Å; S4-L8 PolarHBondContact O-N 3.5Å; L8-K10 PolarHBondContact O-N 3.35Å |
| 9 | Q | 96.4 | Very high | 94 | Very high | 75 Ų | 75 | 91.1 Ų | 91.1 | 35% | 0.35 | 45% | 0.452 | S | S | . | . | trans | -57.3 | 129.8 | 174.3 | -179.4 | 55.2 | -88 | 0 | 0 | 110.2 | F5 L6 D11 N14 R15 | F5-Q9 PolarHBondContact O-N 3.25Å; L6-Q9 WeakPolarHBondContact O-CB 3.37Å; Q9-D11 WeakPolarHBondContact CG-O 3.47Å; Q9-N14 HydrophobicContact CG-CB 3.73Å; Q9-R15 HydrophobicContact CB-CB 4.11Å; Q9-R15 HydrophobicContact CB-CG 4.41Å; Q9-R15 PolarHBondContact O-NE 3.44Å; Q9-R15 PolarHBondContact O-NH2 3.11Å | ||
| 10 | K | 97 | Very high | 94.1 | Very high | 193 Ų | 193 | 91.7 Ų | 91.7 | 84% | 0.839 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -66.7 | -44.3 | -174.4 | -173.3 | 175.9 | -177.7 | 178.4 | 0 | 111.1 | L8 K12 | L8-K10 PolarHBondContact O-N 3.35Å; K10-K12 PolarHBondContact O-N 3.21Å |
| 11 | D | 96.6 | Very high | 94.1 | Very high | 75 Ų | 75 | 92.8 Ų | 92.8 | 40% | 0.401 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -76.2 | 120.4 | 171.9 | -176.9 | 0.3 | 0 | 0 | 0 | 110.2 | Q9 I13 N14 R15 | Q9-D11 WeakPolarHBondContact CG-O 3.47Å; D11-I13 PolarHBondContact O-N 2.89Å; D11-I13 PolarHBondContact OD1-N 3.47Å; D11-I13 VanDerWaalsContact OD1-N 3.13Å; D11-N14 HydrophobicContact CB-CB 4.45Å; D11-N14 PolarHBondContact O-N 3.28Å; D11-N14 PolarHBondContact OD2-ND2 2.94Å; D11-R15 PolarHBondContact O-N 3.28Å |
| 12 | K | 95.9 | Very high | 95.1 | Very high | 147 Ų | 147 | 89.7 Ų | 89.7 | 64% | 0.639 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -61.9 | -31.8 | -177 | 67.7 | 177.5 | -177.3 | 175.9 | 0 | 112.9 | K10 N14 R15 S18 | K10-K12 PolarHBondContact O-N 3.21Å; K12-N14 VanDerWaalsContact C-N 3.27Å; K12-N14 PolarHBondContact O-N 3.45Å; K12-R15 WeakPolarHBondContact O-CB 3.2Å; K12-R15 PolarHBondContact O-N 3.25Å; K12-S18 VanDerWaalsContact O-CB 3.23Å; K12-S18 WeakPolarHBondContact O-CB 3.39Å; K12-S18 PolarHBondContact O-OG 3.23Å |
| 13 | I | 96 | Very high | 95.5 | Very high | 101 Ų | 101 | 91.5 Ų | 91.5 | 52% | 0.518 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -69.6 | -30.9 | -177 | -56.8 | -59.6 | 0 | 0 | 0 | 111 | D11 S18 | D11-I13 PolarHBondContact O-N 2.89Å; D11-I13 PolarHBondContact OD1-N 3.47Å; D11-I13 VanDerWaalsContact OD1-N 3.13Å; I13-S18 WeakPolarHBondContact O-CB 3.27Å |
| 14 | N | 94.8 | Very high | 95.7 | Very high | 106 Ų | 106 | 94 Ų | 94 | 57% | 0.567 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -93.9 | 3.2 | -180 | -69.9 | -60.1 | 0 | 0 | 0 | 112.9 | Q9 D11 K12 | Q9-N14 HydrophobicContact CG-CB 3.73Å; D11-N14 HydrophobicContact CB-CB 4.45Å; D11-N14 PolarHBondContact O-N 3.28Å; D11-N14 PolarHBondContact OD2-ND2 2.94Å; K12-N14 VanDerWaalsContact C-N 3.27Å; K12-N14 PolarHBondContact O-N 3.45Å |
| 15 | R | 97.2 | Very high | 96 | Very high | 103 Ų | 103 | 93.7 Ų | 93.7 | 39% | 0.389 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -80.4 | 137.8 | -178.5 | -171.7 | -180 | -65 | 166.1 | 3.1 | 109.9 | L6 L7 Q9 D11 K12 G17 S18 | L6-R15 WeakPolarHBondContact O-CA 3.22Å; L6-R15 WeakPolarHBondContact O-CG 3.46Å; L7-R15 WeakPolarHBondContact O-CD 3.16Å; L7-R15 VanDerWaalsContact O-CG 3.29Å; L7-R15 WeakPolarHBondContact O-CG 3.38Å; Q9-R15 HydrophobicContact CB-CB 4.11Å; Q9-R15 HydrophobicContact CB-CG 4.41Å; Q9-R15 PolarHBondContact O-NE 3.44Å; Q9-R15 PolarHBondContact O-NH2 3.11Å; D11-R15 PolarHBondContact O-N 3.28Å; K12-R15 WeakPolarHBondContact O-CB 3.2Å; K12-R15 PolarHBondContact O-N 3.25Å; R15-G17 PolarHBondContact O-N 3.35Å; R15-S18 WeakPolarHBondContact O-CB 3.49Å; R15-S18 PolarHBondContact O-N 3.22Å |
| 16 | L | 96.5 | Very high | 96.1 | Very high | 16 Ų | 16 | 87.2 Ų | 87.2 | 8% | 0.084 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 124.6 | 174.9 | -173.1 | 71.4 | 0 | 0 | 0 | 110.1 | L6 L7 E24 I25 H28 | L6-L16 HydrophobicContact CB-CB 3.76Å; L6-L16 HydrophobicContact CB-CD2 4.42Å; L6-L16 HydrophobicContact CD1-CD1 4.48Å; L6-L16 PolarHBondContact O-N 3.34Å; L7-L16 HydrophobicContact CD2-CB 4.15Å; L7-L16 HydrophobicContact CD2-CD2 3.98Å; L7-L16 HydrophobicContact CD2-CG 4.42Å; L7-L16 HydrophobicContact CG-CB 4.42Å; L7-L16 HydrophobicContact CG-CD2 4.01Å; L16-E24 HydrophobicContact CD1-CG 3.92Å; L16-I25 HydrophobicContact CD2-CG1 4.39Å; L16-I25 HydrophobicContact CG-CG1 4.08Å; L16-H28 HydrophobicContact CD1-CB 4.49Å; L16-H28 HydrophobicContact CD2-CB 4.21Å |
| 17 | G | 96.7 | Very high | 96.1 | Very high | 17 Ų | 17 | 92.7 Ų | 92.7 | 18% | 0.175 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.5 | 5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R15 D21 E24 | R15-G17 PolarHBondContact O-N 3.35Å; G17-D21 WeakPolarHBondContact CA-O 3.23Å; G17-D21 WeakPolarHBondContact O-CA 3.43Å; G17-D21 PolarHBondContact O-N 3.43Å; G17-E24 VanDerWaalsContact CA-OE2 3.22Å; G17-E24 WeakPolarHBondContact CA-OE2 3.23Å; G17-E24 PolarHBondContact N-OE1 3.38Å; G17-E24 PolarHBondContact N-OE2 3.29Å |
| 18 | S | 97.1 | Very high | 96.1 | Very high | 53 Ų | 53 | 90.8 Ų | 90.8 | 37% | 0.371 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -31 | 179.1 | -171.9 | 0 | 0 | 0 | 0 | 113.7 | K12 I13 R15 E24 | K12-S18 VanDerWaalsContact O-CB 3.23Å; K12-S18 WeakPolarHBondContact O-CB 3.39Å; K12-S18 PolarHBondContact O-OG 3.23Å; I13-S18 WeakPolarHBondContact O-CB 3.27Å; R15-S18 WeakPolarHBondContact O-CB 3.49Å; R15-S18 PolarHBondContact O-N 3.22Å; S18-E24 PolarHBondContact N-OE2 2.77Å |
| 19 | E | 94.7 | Very high | 96.1 | Very high | 153 Ų | 153 | 90.5 Ų | 90.5 | 72% | 0.715 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -44.2 | -174.1 | -68.7 | -171.9 | 164.7 | 0 | 0 | 112.2 | E24 | E19-E24 PolarHBondContact N-OE2 2.82Š|
| 20 | N | 96 | Very high | 96 | Very high | 104 Ų | 104 | 93.1 Ų | 93.1 | 56% | 0.556 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.9 | 27.6 | -176.4 | -63.4 | -69.1 | 0 | 0 | 0 | 112.7 | F22 E23 | N20-F22 PolarHBondContact O-N 2.81Å; N20-E23 HydrophobicContact CB-CB 4.28Å; N20-E23 WeakPolarHBondContact O-CB 3.44Å; N20-E23 PolarHBondContact O-N 3.29Å; N20-E23 VanDerWaalsContact O-N 3.08Å |
| 21 | D | 95.2 | Very high | 96 | Very high | 115 Ų | 115 | 85.6 Ų | 85.6 | 62% | 0.615 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | -125.8 | 175 | -168.8 | 18.3 | 0 | 0 | 0 | 112.8 | G17 E23 E24 I25 | G17-D21 WeakPolarHBondContact CA-O 3.23Å; G17-D21 WeakPolarHBondContact O-CA 3.43Å; G17-D21 PolarHBondContact O-N 3.43Å; D21-E23 VanDerWaalsContact C-N 3.26Å; D21-E23 PolarHBondContact O-N 3.29Å; D21-E24 PolarHBondContact O-N 2.87Å; D21-I25 PolarHBondContact O-N 3.1Å |
| 22 | F | 96 | Very high | 95.9 | Very high | 97 Ų | 97 | 91.2 Ų | 91.2 | 43% | 0.425 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.9 | -31.6 | -177.6 | 173.3 | -104.3 | 0 | 0 | 0 | 113.7 | N20 E24 I25 S26 W36 | N20-F22 PolarHBondContact O-N 2.81Å; F22-E24 VanDerWaalsContact C-N 3.26Å; F22-E24 PolarHBondContact O-N 2.94Å; F22-I25 PolarHBondContact O-N 3.15Å; F22-S26 VanDerWaalsContact O-CB 3.27Å; F22-S26 WeakPolarHBondContact O-CB 3.19Å; F22-S26 PolarHBondContact O-N 2.91Å; F22-S26 PolarHBondContact O-OG 2.99Å; F22-W36 HydrophobicContact CE2-CD2 4.1Å; F22-W36 AromaticContact CE2-CE3 3.86Å; F22-W36 HydrophobicContact CE2-CE3 3.86Å; F22-W36 HydrophobicContact CE2-CH2 4.24Å; F22-W36 HydrophobicContact CE2-CZ2 4.45Å; F22-W36 AromaticContact CE2-CZ3 3.95Å; F22-W36 HydrophobicContact CE2-CZ3 3.95Å; F22-W36 HydrophobicContact CZ-CB 4.33Å; F22-W36 AromaticContact CZ-CD2 3.66Å; F22-W36 HydrophobicContact CZ-CD2 3.66Å; F22-W36 AromaticContact CZ-CE3 3.77Å; F22-W36 HydrophobicContact CZ-CE3 3.77Å; F22-W36 AromaticContact CZ-CG 3.91Å; F22-W36 HydrophobicContact CZ-CG 3.91Å; F22-W36 HydrophobicContact CZ-CZ3 4.33Å |
| 23 | E | 96.2 | Very high | 95.9 | Very high | 109 Ų | 109 | 90.5 Ų | 90.5 | 51% | 0.509 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.6 | -35.7 | -179.4 | -71.1 | -164.4 | -159.1 | 0 | 0 | 112.2 | N20 D21 S26 K27 | N20-E23 HydrophobicContact CB-CB 4.28Å; N20-E23 WeakPolarHBondContact O-CB 3.44Å; N20-E23 PolarHBondContact O-N 3.29Å; N20-E23 VanDerWaalsContact O-N 3.08Å; D21-E23 VanDerWaalsContact C-N 3.26Å; D21-E23 PolarHBondContact O-N 3.29Å; E23-S26 WeakPolarHBondContact CA-OG 3.29Å; E23-S26 PolarHBondContact O-OG 3.25Å; E23-S26 VanDerWaalsContact O-OG 3.11Å; E23-K27 WeakPolarHBondContact O-CB 3.44Å; E23-K27 VanDerWaalsContact O-CD 3.23Å; E23-K27 WeakPolarHBondContact O-CD 3.13Å; E23-K27 WeakPolarHBondContact O-CG 3.39Å; E23-K27 PolarHBondContact O-N 2.98Å; E23-K27 IonicContact OE2-NZ 2.66Å; E23-K27 PolarHBondContact OE2-NZ 3.47Å |
| 24 | E | 95.8 | Very high | 95.9 | Very high | 57 Ų | 57 | 88.4 Ų | 88.4 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.6 | -44.7 | 177.2 | -161.8 | -168.2 | 151.8 | 0 | 0 | 110.8 | L16 G17 S18 E19 D21 F22 H28 | L16-E24 HydrophobicContact CD1-CG 3.92Å; G17-E24 VanDerWaalsContact CA-OE2 3.22Å; G17-E24 WeakPolarHBondContact CA-OE2 3.23Å; G17-E24 PolarHBondContact N-OE1 3.38Å; G17-E24 PolarHBondContact N-OE2 3.29Å; S18-E24 PolarHBondContact N-OE2 2.77Å; E19-E24 PolarHBondContact N-OE2 2.82Å; D21-E24 PolarHBondContact O-N 2.87Å; F22-E24 VanDerWaalsContact C-N 3.26Å; F22-E24 PolarHBondContact O-N 2.94Å; E24-H28 PolarHBondContact O-N 3.21Å |
| 25 | I | 96.3 | Very high | 96 | Very high | 41 Ų | 41 | 86.3 Ų | 86.3 | 21% | 0.21 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.7 | -49.8 | 179.6 | -63 | 170.6 | 0 | 0 | 0 | 110.3 | L16 D21 F22 K27 H28 F31 | L16-I25 HydrophobicContact CD2-CG1 4.39Å; L16-I25 HydrophobicContact CG-CG1 4.08Å; D21-I25 PolarHBondContact O-N 3.1Å; F22-I25 PolarHBondContact O-N 3.15Å; I25-K27 VanDerWaalsContact C-N 3.27Å; I25-K27 PolarHBondContact O-N 3.27Å; I25-H28 WeakPolarHBondContact O-CB 3.35Å; I25-H28 PolarHBondContact O-N 3.02Å; I25-H28 VanDerWaalsContact O-N 3.08Å; I25-F31 HydrophobicContact CG2-CD2 4.17Å; I25-F31 HydrophobicContact CG2-CE2 3.69Å; I25-F31 HydrophobicContact CG2-CZ 4.27Å; I25-F31 VanDerWaalsContact O-CD2 3.23Å; I25-F31 WeakPolarHBondContact O-CD2 3.46Å |
| 26 | S | 95.9 | Very high | 96 | Very high | 21 Ų | 21 | 84.3 Ų | 84.3 | 15% | 0.147 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.9 | -30 | -176.5 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | F22 E23 | F22-S26 VanDerWaalsContact O-CB 3.27Å; F22-S26 WeakPolarHBondContact O-CB 3.19Å; F22-S26 PolarHBondContact O-N 2.91Å; F22-S26 PolarHBondContact O-OG 2.99Å; E23-S26 WeakPolarHBondContact CA-OG 3.29Å; E23-S26 PolarHBondContact O-OG 3.25Å; E23-S26 VanDerWaalsContact O-OG 3.11Å |
| 27 | K | 95.3 | Very high | 96.1 | Very high | 155 Ų | 155 | 88.7 Ų | 88.7 | 67% | 0.674 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -82.8 | -10.8 | 177.4 | -68 | 168.7 | -166.9 | 160.9 | 0 | 113 | E23 I25 | E23-K27 WeakPolarHBondContact O-CB 3.44Å; E23-K27 VanDerWaalsContact O-CD 3.23Å; E23-K27 WeakPolarHBondContact O-CD 3.13Å; E23-K27 WeakPolarHBondContact O-CG 3.39Å; E23-K27 PolarHBondContact O-N 2.98Å; E23-K27 IonicContact OE2-NZ 2.66Å; E23-K27 PolarHBondContact OE2-NZ 3.47Å; I25-K27 VanDerWaalsContact C-N 3.27Å; I25-K27 PolarHBondContact O-N 3.27Å |
| 28 | H | 95.8 | Very high | 96.1 | Very high | 22 Ų | 22 | 92.6 Ų | 92.6 | 10% | 0.102 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -68.3 | 136.5 | -179.6 | -175.3 | -93.7 | 0 | 0 | 0 | 111.6 | M1 L16 E24 I25 F30 F31 | M1-H28 PolarHBondContact O-NE2 3.03Å; L16-H28 HydrophobicContact CD1-CB 4.49Å; L16-H28 HydrophobicContact CD2-CB 4.21Å; E24-H28 PolarHBondContact O-N 3.21Å; I25-H28 WeakPolarHBondContact O-CB 3.35Å; I25-H28 PolarHBondContact O-N 3.02Å; I25-H28 VanDerWaalsContact O-N 3.08Å; H28-F30 WeakPolarHBondContact ND1-CB 3.31Å; H28-F30 PolarHBondContact ND1-N 2.93Å; H28-F30 PolarHBondContact O-N 3.08Å; H28-F31 HydrophobicContact CB-CD2 4.31Å; H28-F31 PolarHBondContact O-N 2.88Å |
| 29 | R | 95.9 | Very high | 96.2 | Very high | 140 Ų | 140 | 93.9 Ų | 93.9 | 53% | 0.528 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -56.2 | -22.4 | -172.1 | 73.3 | -177.2 | -174 | -68.3 | -14.3 | 116 | M1 F31 R32 | M1-R29 PolarHBondContact O-NH1 3.49Å; M1-R29 PolarHBondContact O-NH2 3.34Å; R29-F31 VanDerWaalsContact C-N 3.28Å; R29-R32 WeakPolarHBondContact O-CB 3.48Å; R29-R32 WeakPolarHBondContact O-CD 3.33Å; R29-R32 VanDerWaalsContact O-CG 3.29Å; R29-R32 WeakPolarHBondContact O-CG 3.47Å; R29-R32 PolarHBondContact O-N 3.25Å |
| 30 | F | 95.7 | Very high | 96.2 | Very high | 131 Ų | 131 | 93.3 Ų | 93.3 | 58% | 0.575 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -64.2 | -34 | 174.7 | 178.1 | -95.5 | 0 | 0 | 0 | 111.9 | A3 H28 | A3-F30 HydrophobicContact CB-CB 3.77Å; A3-F30 HydrophobicContact CB-CD1 4.22Å; A3-F30 HydrophobicContact CB-CD2 4.48Å; A3-F30 HydrophobicContact CB-CG 3.91Å; H28-F30 WeakPolarHBondContact ND1-CB 3.31Å; H28-F30 PolarHBondContact ND1-N 2.93Å; H28-F30 PolarHBondContact O-N 3.08Å |
| 31 | F | 96.1 | Very high | 96.3 | Very high | 35 Ų | 35 | 93.2 Ų | 93.2 | 15% | 0.154 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -100 | 10.6 | -178.8 | -54 | -74.6 | 0 | 0 | 0 | 113.4 | I25 H28 R29 D33 I34 W36 | I25-F31 HydrophobicContact CG2-CD2 4.17Å; I25-F31 HydrophobicContact CG2-CE2 3.69Å; I25-F31 HydrophobicContact CG2-CZ 4.27Å; I25-F31 VanDerWaalsContact O-CD2 3.23Å; I25-F31 WeakPolarHBondContact O-CD2 3.46Å; H28-F31 HydrophobicContact CB-CD2 4.31Å; H28-F31 PolarHBondContact O-N 2.88Å; R29-F31 VanDerWaalsContact C-N 3.28Å; F31-D33 PolarHBondContact O-N 3.3Å; F31-I34 HydrophobicContact CB-CD1 4.16Å; F31-I34 HydrophobicContact CD1-CD1 3.71Å; F31-I34 HydrophobicContact CG-CD1 4.42Å; F31-I34 WeakPolarHBondContact O-CB 3.1Å; F31-I34 PolarHBondContact O-N 3.18Å; F31-W36 HydrophobicContact CB-CH2 4.21Å; F31-W36 HydrophobicContact CB-CZ2 3.57Å; F31-W36 HydrophobicContact CD1-CH2 4.09Å; F31-W36 HydrophobicContact CD1-CZ2 4.31Å; F31-W36 HydrophobicContact CG-CH2 4.17Å; F31-W36 AromaticContact CG-CZ2 3.96Å; F31-W36 HydrophobicContact CG-CZ2 3.96Å |
| 32 | R | 95.2 | Very high | 96.4 | Very high | 192 Ų | 192 | 98.7 Ų | 98.7 | 73% | 0.725 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -27.9 | -173.8 | 73.2 | -176.2 | -177.5 | 179 | -2.9 | 114.1 | R29 I34 | R29-R32 WeakPolarHBondContact O-CB 3.48Å; R29-R32 WeakPolarHBondContact O-CD 3.33Å; R29-R32 VanDerWaalsContact O-CG 3.29Å; R29-R32 WeakPolarHBondContact O-CG 3.47Å; R29-R32 PolarHBondContact O-N 3.25Å; R32-I34 VanDerWaalsContact C-N 3.33Å |
| 33 | D | 95.5 | Very high | 96.4 | Very high | 133 Ų | 133 | 100.4 Ų | 100.4 | 71% | 0.711 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 2.6 | -175.5 | -59.9 | -46.8 | 0 | 0 | 0 | 112 | F31 | F31-D33 PolarHBondContact O-N 3.3Š|
| 34 | I | 96.7 | Very high | 96.4 | Very high | 57 Ų | 57 | 98.8 Ų | 98.8 | 29% | 0.292 | 45% | 0.448 | S | S | . | . | trans | -92.8 | 117.7 | 178 | -57.2 | -175.3 | 0 | 0 | 0 | 110 | F31 R32 W36 L39 | F31-I34 HydrophobicContact CB-CD1 4.16Å; F31-I34 HydrophobicContact CD1-CD1 3.71Å; F31-I34 HydrophobicContact CG-CD1 4.42Å; F31-I34 WeakPolarHBondContact O-CB 3.1Å; F31-I34 PolarHBondContact O-N 3.18Å; R32-I34 VanDerWaalsContact C-N 3.33Å; I34-W36 HydrophobicContact CB-CD2 4.48Å; I34-W36 HydrophobicContact CB-CZ2 4.33Å; I34-W36 HydrophobicContact CD1-CH2 4.11Å; I34-W36 HydrophobicContact CD1-CZ2 4.39Å; I34-W36 HydrophobicContact CG2-CD2 3.81Å; I34-W36 HydrophobicContact CG2-CE3 3.84Å; I34-W36 HydrophobicContact CG2-CG 4.36Å; I34-W36 HydrophobicContact CG2-CH2 4.33Å; I34-W36 HydrophobicContact CG2-CZ2 4.31Å; I34-W36 HydrophobicContact CG2-CZ3 4.09Å; I34-W36 PolarHBondContact O-N 3.36Å; I34-L39 HydrophobicContact CG2-CB 4.4Å; I34-L39 HydrophobicContact CG2-CD2 3.95Å | ||
| 35 | D | 97.3 | Very high | 96.4 | Very high | 62 Ų | 62 | 102.7 Ų | 102.7 | 33% | 0.332 | 48% | 0.475 | S | S | . | . | trans | -79.9 | 99.8 | 162.4 | -177 | -29.8 | 0 | 0 | 0 | 108.8 | I37 K38 L39 | D35-I37 VanDerWaalsContact C-N 3.27Å; D35-I37 PolarHBondContact O-N 2.94Å; D35-I37 PolarHBondContact OD1-N 3.34Å; D35-K38 HydrophobicContact CB-CB 4.05Å; D35-K38 HydrophobicContact CB-CD 4.11Å; D35-K38 HydrophobicContact CB-CG 4.27Å; D35-K38 PolarHBondContact O-N 2.89Å; D35-K38 PolarHBondContact OD1-N 3.26Å; D35-K38 WeakPolarHBondContact OD2-CD 3.19Å; D35-K38 WeakPolarHBondContact OD2-CE 3.32Å; D35-K38 WeakPolarHBondContact OD2-CG 3.35Å; D35-K38 IonicContact OD2-NZ 3.3Å; D35-K38 PolarHBondContact OD2-NZ 3.39Å; D35-L39 WeakPolarHBondContact O-CB 3.14Å; D35-L39 PolarHBondContact O-N 3.28Å | ||
| 36 | W | 97.1 | Very high | 96.4 | Very high | 61 Ų | 61 | 103.4 Ų | 103.4 | 23% | 0.231 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -63 | -31.7 | -175.1 | -63.4 | 105.1 | 0 | 0 | 0 | 113.4 | F22 F31 I34 L39 L40 | F22-W36 HydrophobicContact CE2-CD2 4.1Å; F22-W36 AromaticContact CE2-CE3 3.86Å; F22-W36 HydrophobicContact CE2-CE3 3.86Å; F22-W36 HydrophobicContact CE2-CH2 4.24Å; F22-W36 HydrophobicContact CE2-CZ2 4.45Å; F22-W36 AromaticContact CE2-CZ3 3.95Å; F22-W36 HydrophobicContact CE2-CZ3 3.95Å; F22-W36 HydrophobicContact CZ-CB 4.33Å; F22-W36 AromaticContact CZ-CD2 3.66Å; F22-W36 HydrophobicContact CZ-CD2 3.66Å; F22-W36 AromaticContact CZ-CE3 3.77Å; F22-W36 HydrophobicContact CZ-CE3 3.77Å; F22-W36 AromaticContact CZ-CG 3.91Å; F22-W36 HydrophobicContact CZ-CG 3.91Å; F22-W36 HydrophobicContact CZ-CZ3 4.33Å; F31-W36 HydrophobicContact CB-CH2 4.21Å; F31-W36 HydrophobicContact CB-CZ2 3.57Å; F31-W36 HydrophobicContact CD1-CH2 4.09Å; F31-W36 HydrophobicContact CD1-CZ2 4.31Å; F31-W36 HydrophobicContact CG-CH2 4.17Å; F31-W36 AromaticContact CG-CZ2 3.96Å; F31-W36 HydrophobicContact CG-CZ2 3.96Å; I34-W36 HydrophobicContact CB-CD2 4.48Å; I34-W36 HydrophobicContact CB-CZ2 4.33Å; I34-W36 HydrophobicContact CD1-CH2 4.11Å; I34-W36 HydrophobicContact CD1-CZ2 4.39Å; I34-W36 HydrophobicContact CG2-CD2 3.81Å; I34-W36 HydrophobicContact CG2-CE3 3.84Å; I34-W36 HydrophobicContact CG2-CG 4.36Å; I34-W36 HydrophobicContact CG2-CH2 4.33Å; I34-W36 HydrophobicContact CG2-CZ2 4.31Å; I34-W36 HydrophobicContact CG2-CZ3 4.09Å; I34-W36 PolarHBondContact O-N 3.36Å; W36-L39 HydrophobicContact CE3-CD2 3.86Å; W36-L39 HydrophobicContact CZ3-CD2 3.9Å; W36-L39 PolarHBondContact O-N 3.34Å; W36-L40 WeakPolarHBondContact O-CB 3.31Å; W36-L40 VanDerWaalsContact O-CG 3.31Å; W36-L40 WeakPolarHBondContact O-CG 3.22Å; W36-L40 PolarHBondContact O-N 2.96Å |
| 37 | I | 97.2 | Very high | 96.4 | Very high | 108 Ų | 108 | 109.4 Ų | 109.4 | 55% | 0.554 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69 | -49.4 | 176.8 | -59.9 | -59.7 | 0 | 0 | 0 | 109.4 | D35 L39 L40 E41 | D35-I37 VanDerWaalsContact C-N 3.27Å; D35-I37 PolarHBondContact O-N 2.94Å; D35-I37 PolarHBondContact OD1-N 3.34Å; I37-L39 VanDerWaalsContact C-N 3.27Å; I37-L39 PolarHBondContact O-N 2.98Å; I37-L40 PolarHBondContact O-N 3.44Å; I37-E41 HydrophobicContact CG2-CG 4.46Å; I37-E41 WeakPolarHBondContact O-CB 3.38Å; I37-E41 WeakPolarHBondContact O-CG 3.4Å; I37-E41 PolarHBondContact O-N 3.18Å |
| 38 | K | 97.9 | Very high | 96.5 | Very high | 98 Ų | 98 | 109.2 Ų | 109.2 | 43% | 0.426 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -34.7 | 175.8 | -72.6 | -179.7 | -169.5 | 155.3 | 0 | 112.7 | D35 R42 K43 L44 | D35-K38 HydrophobicContact CB-CB 4.05Å; D35-K38 HydrophobicContact CB-CD 4.11Å; D35-K38 HydrophobicContact CB-CG 4.27Å; D35-K38 PolarHBondContact O-N 2.89Å; D35-K38 PolarHBondContact OD1-N 3.26Å; D35-K38 WeakPolarHBondContact OD2-CD 3.19Å; D35-K38 WeakPolarHBondContact OD2-CE 3.32Å; D35-K38 WeakPolarHBondContact OD2-CG 3.35Å; D35-K38 IonicContact OD2-NZ 3.3Å; D35-K38 PolarHBondContact OD2-NZ 3.39Å; K38-R42 PolarHBondContact O-N 3.37Å; K38-R42 VanDerWaalsContact O-N 3.16Å; K38-K43 HydrophobicContact CB-CB 4.05Å; K38-K43 HydrophobicContact CG-CB 4.27Å; K38-K43 PolarHBondContact O-N 3.42Å; K38-L44 HydrophobicContact CB-CD2 3.72Å; K38-L44 HydrophobicContact CB-CG 3.92Å; K38-L44 HydrophobicContact CD-CD2 4.16Å |
| 39 | L | 97.5 | Very high | 96.4 | Very high | 80 Ų | 80 | 115 Ų | 115 | 42% | 0.419 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.5 | -50.2 | 175.5 | -178.4 | 63.2 | 0 | 0 | 0 | 110.9 | I34 D35 W36 I37 E41 R42 L44 | I34-L39 HydrophobicContact CG2-CB 4.4Å; I34-L39 HydrophobicContact CG2-CD2 3.95Å; D35-L39 WeakPolarHBondContact O-CB 3.14Å; D35-L39 PolarHBondContact O-N 3.28Å; W36-L39 HydrophobicContact CE3-CD2 3.86Å; W36-L39 HydrophobicContact CZ3-CD2 3.9Å; W36-L39 PolarHBondContact O-N 3.34Å; I37-L39 VanDerWaalsContact C-N 3.27Å; I37-L39 PolarHBondContact O-N 2.98Å; L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 2.66Å; L39-R42 WeakPolarHBondContact O-CA 3.34Å; L39-R42 PolarHBondContact O-N 3.3Å; L39-L44 HydrophobicContact CB-CD1 3.79Å; L39-L44 HydrophobicContact CB-CG 4.48Å; L39-L44 HydrophobicContact CD1-CD1 4.1Å |
| 40 | L | 96.6 | Very high | 96.4 | Very high | 141 Ų | 141 | 111.5 Ų | 111.5 | 74% | 0.738 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.1 | -39.2 | 178.7 | -74.9 | 170 | 0 | 0 | 0 | 112.3 | W36 I37 R42 | W36-L40 WeakPolarHBondContact O-CB 3.31Å; W36-L40 VanDerWaalsContact O-CG 3.31Å; W36-L40 WeakPolarHBondContact O-CG 3.22Å; W36-L40 PolarHBondContact O-N 2.96Å; I37-L40 PolarHBondContact O-N 3.44Å; L40-R42 PolarHBondContact O-N 3.49Å |
| 41 | E | 97.7 | Very high | 96.4 | Very high | 102 Ų | 102 | 109 Ų | 109 | 48% | 0.477 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | 2.8 | 175.1 | -65.3 | -179 | 132.1 | 0 | 0 | 113.5 | I37 L39 K43 | I37-E41 HydrophobicContact CG2-CG 4.46Å; I37-E41 WeakPolarHBondContact O-CB 3.38Å; I37-E41 WeakPolarHBondContact O-CG 3.4Å; I37-E41 PolarHBondContact O-N 3.18Å; L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 2.66Å; E41-K43 HydrophobicContact CB-CD 3.98Å; E41-K43 HydrophobicContact CB-CG 3.94Å; E41-K43 PolarHBondContact O-N 3.34Å; E41-K43 IonicContact OE1-NZ 3.26Å; E41-K43 PolarHBondContact OE1-NZ 3.02Å; E41-K43 WeakPolarHBondContact OE2-CD 3.33Å; E41-K43 WeakPolarHBondContact OE2-CE 3.38Å; E41-K43 IonicContact OE2-NZ 2.94Å; E41-K43 PolarHBondContact OE2-NZ 3.38Å |
| 42 | R | 96.2 | Very high | 96.4 | Very high | 231 Ų | 231 | 111.8 Ų | 111.8 | 87% | 0.872 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.6 | 32.3 | -179.1 | -51 | 174.2 | 75.7 | 173.6 | 4.2 | 113.3 | K38 L39 L40 | K38-R42 PolarHBondContact O-N 3.37Å; K38-R42 VanDerWaalsContact O-N 3.16Å; L39-R42 WeakPolarHBondContact O-CA 3.34Å; L39-R42 PolarHBondContact O-N 3.3Å; L40-R42 PolarHBondContact O-N 3.49Å |
| 43 | K | 97.6 | Very high | 96.3 | Very high | 132 Ų | 132 | 107.8 Ų | 107.8 | 57% | 0.574 | 57% | 0.567 | S | S | * | * | trans | -92.3 | -10.8 | 179.6 | -67.2 | 178.5 | -177.8 | 164.5 | 0 | 113.9 | K38 E41 | K38-K43 HydrophobicContact CB-CB 4.05Å; K38-K43 HydrophobicContact CG-CB 4.27Å; K38-K43 PolarHBondContact O-N 3.42Å; E41-K43 HydrophobicContact CB-CD 3.98Å; E41-K43 HydrophobicContact CB-CG 3.94Å; E41-K43 PolarHBondContact O-N 3.34Å; E41-K43 IonicContact OE1-NZ 3.26Å; E41-K43 PolarHBondContact OE1-NZ 3.02Å; E41-K43 WeakPolarHBondContact OE2-CD 3.33Å; E41-K43 WeakPolarHBondContact OE2-CE 3.38Å; E41-K43 IonicContact OE2-NZ 2.94Å; E41-K43 PolarHBondContact OE2-NZ 3.38Å | ||
| 44 | L | 96.2 | Very high | 96.3 | Very high | 76 Ų | 76 | 104 Ų | 104 | 40% | 0.398 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -82.2 | 131.5 | 172.8 | -60.6 | -176.5 | 0 | 0 | 0 | 110.1 | K38 L39 A46 | K38-L44 HydrophobicContact CB-CD2 3.72Å; K38-L44 HydrophobicContact CB-CG 3.92Å; K38-L44 HydrophobicContact CD-CD2 4.16Å; L39-L44 HydrophobicContact CB-CD1 3.79Å; L39-L44 HydrophobicContact CB-CG 4.48Å; L39-L44 HydrophobicContact CD1-CD1 4.1Å; L44-A46 PolarHBondContact O-N 3.32Å |
| 45 | T | 95.3 | Very high | 96.3 | Very high | 138 Ų | 138 | 107.5 Ų | 107.5 | 85% | 0.847 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 125.7 | 173.4 | -54.2 | 0 | 0 | 0 | 0 | 109.6 | ||
| 46 | A | 95.4 | Very high | 96.1 | Very high | 56 Ų | 56 | 109.8 Ų | 109.8 | 46% | 0.463 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 137.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L44 F48 | L44-A46 PolarHBondContact O-N 3.32Å; A46-F48 PolarHBondContact O-N 3.39Å |
| 47 | P | 96 | Very high | 96 | Very high | 147 Ų | 147 | 108.8 Ų | 108.8 | 96% | 0.955 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -69.1 | -18.3 | 179.5 | 28.3 | -35.5 | 0 | 0 | 0 | 113 | ||
| 48 | F | 96.8 | Very high | 95.9 | Very high | 152 Ų | 152 | 107 Ų | 107 | 67% | 0.667 | 59% | 0.59 | S | S | * | * | trans | -130.7 | 128.9 | 175.8 | 171.8 | -102.7 | 0 | 0 | 0 | 109.2 | A46 P50 | A46-F48 PolarHBondContact O-N 3.39Å; F48-P50 HydrophobicContact CE1-CB 3.94Å; F48-P50 HydrophobicContact CZ-CB 4.43Å | ||
| 49 | L | 94.2 | Very high | 95.7 | Very high | 144 Ų | 144 | 108.2 Ų | 108.2 | 75% | 0.754 | 59% | 0.592 | S | S | * | * | trans | -110.6 | 111.3 | 176.5 | -149.9 | 76.2 | 0 | 0 | 0 | 108.3 | ||||
| 50 | P | 95.7 | Very high | 95.6 | Very high | 66 Ų | 66 | 108.9 Ų | 108.9 | 43% | 0.429 | 60% | 0.596 | S | S | . | * | trans | -64.8 | 139.9 | -179.4 | 26.8 | -33.5 | 0 | 0 | 0 | 110.2 | F48 V52 | F48-P50 HydrophobicContact CE1-CB 3.94Å; F48-P50 HydrophobicContact CZ-CB 4.43Å; P50-V52 PolarHBondContact O-N 3.11Å | ||
| 51 | S | 95.2 | Very high | 95.5 | Very high | 79 Ų | 79 | 106.7 Ų | 106.7 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | trans | -73.6 | 128.8 | 173.7 | -63 | 0 | 0 | 0 | 0 | 110 | R59 N60 | S51-R59 WeakPolarHBondContact O-CD 3.5Å; S51-N60 PolarHBondContact O-ND2 3.21Å | ||
| 52 | V | 96 | Very high | 95.3 | Very high | 93 Ų | 93 | 104.5 Ų | 104.5 | 56% | 0.564 | 58% | 0.58 | S | S | * | * | trans | -140.3 | 129.8 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | P50 S54 D57 | P50-V52 PolarHBondContact O-N 3.11Å; V52-S54 WeakPolarHBondContact CG1-O 3.43Å; V52-D57 VanDerWaalsContact CA-OD2 3.28Å; V52-D57 WeakPolarHBondContact CA-OD2 3.47Å; V52-D57 HydrophobicContact CG1-CB 4.04Å | ||
| 53 | T | 95.1 | Very high | 95.2 | Very high | 107 Ų | 107 | 97.8 Ų | 97.8 | 66% | 0.656 | 57% | 0.567 | S | S | * | * | trans | -110.2 | -16.1 | -178.4 | 56.5 | 0 | 0 | 0 | 0 | 114.5 | D57 R59 | T53-D57 PolarHBondContact N-OD2 3Å; T53-D57 PolarHBondContact OG1-OD2 3.44Å; T53-R59 PolarHBondContact OG1-NH2 2.59Å | ||
| 54 | S | 95.6 | Very high | 94.9 | Very high | 54 Ų | 54 | 98.5 Ų | 98.5 | 38% | 0.378 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -155.4 | 167.2 | 179.7 | 66.3 | 0 | 0 | 0 | 0 | 111.5 | V52 T56 D57 | V52-S54 WeakPolarHBondContact CG1-O 3.43Å; S54-T56 PolarHBondContact O-N 3.44Å; S54-T56 PolarHBondContact OG-OG1 2.68Å; S54-D57 WeakPolarHBondContact O-CB 3.29Å; S54-D57 PolarHBondContact O-N 3.48Å; S54-D57 PolarHBondContact OG-N 3.06Å |
| 55 | S | 94.8 | Very high | 94.7 | Very high | 130 Ų | 130 | 101.2 Ų | 101.2 | 91% | 0.909 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -15.4 | 174.7 | 52.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 56 | T | 93.5 | Very high | 94.5 | Very high | 111 Ų | 111 | 97.6 Ų | 97.6 | 68% | 0.681 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 11.3 | -179.7 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | S54 T58 | S54-T56 PolarHBondContact O-N 3.44Å; S54-T56 PolarHBondContact OG-OG1 2.68Å; T56-T58 PolarHBondContact O-N 2.79Å |
| 57 | D | 95.1 | Very high | 94.3 | Very high | 40 Ų | 40 | 101.2 Ų | 101.2 | 21% | 0.214 | 57% | 0.57 | C | S | . | * | trans | -70.5 | 122.9 | -177.4 | -171.5 | -7 | 0 | 0 | 0 | 111.9 | V52 T53 S54 R59 | V52-D57 VanDerWaalsContact CA-OD2 3.28Å; V52-D57 WeakPolarHBondContact CA-OD2 3.47Å; V52-D57 HydrophobicContact CG1-CB 4.04Å; T53-D57 PolarHBondContact N-OD2 3Å; T53-D57 PolarHBondContact OG1-OD2 3.44Å; S54-D57 WeakPolarHBondContact O-CB 3.29Å; S54-D57 PolarHBondContact O-N 3.48Å; S54-D57 PolarHBondContact OG-N 3.06Å; D57-R59 VanDerWaalsContact CG-NE 3.28Å; D57-R59 WeakPolarHBondContact OD1-CB 3.43Å; D57-R59 WeakPolarHBondContact OD1-CG 3.5Å; D57-R59 IonicContact OD1-CZ 3.68Å; D57-R59 PolarHBondContact OD1-N 3.38Å; D57-R59 IonicContact OD1-NE 2.95Å; D57-R59 PolarHBondContact OD1-NE 3Å; D57-R59 IonicContact OD1-NH2 3.58Å; D57-R59 IonicContact OD2-CZ 2.93Å; D57-R59 IonicContact OD2-NE 2.83Å; D57-R59 PolarHBondContact OD2-NE 3.26Å; D57-R59 IonicContact OD2-NH1 3.82Å; D57-R59 IonicContact OD2-NH2 2.85Å; D57-R59 PolarHBondContact OD2-NH2 3.27Å | ||
| 58 | T | 94.8 | Very high | 93.9 | Very high | 69 Ų | 69 | 97.1 Ų | 97.1 | 42% | 0.423 | 55% | 0.545 | S | S | . | . | trans | -111.8 | 11.1 | -176.7 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | T56 N60 I61 | T56-T58 PolarHBondContact O-N 2.79Å; T58-N60 PolarHBondContact O-N 3.16Å; T58-N60 VanDerWaalsContact O-N 3.1Å; T58-I61 VanDerWaalsContact O-CB 3.32Å; T58-I61 WeakPolarHBondContact O-CB 3.42Å; T58-I61 PolarHBondContact O-N 3.32Å | ||
| 59 | R | 94.5 | Very high | 93.2 | Very high | 124 Ų | 124 | 95 Ų | 95 | 47% | 0.468 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25 | -173.1 | 75.8 | -176.3 | 65.4 | 172.5 | -7.4 | 115.8 | S51 T53 D57 I61 | S51-R59 WeakPolarHBondContact O-CD 3.5Å; T53-R59 PolarHBondContact OG1-NH2 2.59Å; D57-R59 VanDerWaalsContact CG-NE 3.28Å; D57-R59 WeakPolarHBondContact OD1-CB 3.43Å; D57-R59 WeakPolarHBondContact OD1-CG 3.5Å; D57-R59 IonicContact OD1-CZ 3.68Å; D57-R59 PolarHBondContact OD1-N 3.38Å; D57-R59 IonicContact OD1-NE 2.95Å; D57-R59 PolarHBondContact OD1-NE 3Å; D57-R59 IonicContact OD1-NH2 3.58Å; D57-R59 IonicContact OD2-CZ 2.93Å; D57-R59 IonicContact OD2-NE 2.83Å; D57-R59 PolarHBondContact OD2-NE 3.26Å; D57-R59 IonicContact OD2-NH1 3.82Å; D57-R59 IonicContact OD2-NH2 2.85Å; D57-R59 PolarHBondContact OD2-NH2 3.27Å; R59-I61 VanDerWaalsContact C-N 3.26Å |
| 60 | N | 95 | Very high | 92.4 | Very high | 95 Ų | 95 | 94.2 Ų | 94.2 | 51% | 0.508 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 3.1 | 179.4 | -58.9 | -62 | 0 | 0 | 0 | 111.9 | S51 T58 | S51-N60 PolarHBondContact O-ND2 3.21Å; T58-N60 PolarHBondContact O-N 3.16Å; T58-N60 VanDerWaalsContact O-N 3.1Å |
| 61 | I | 94.4 | Very high | 91.3 | Very high | 95 Ų | 95 | 94.6 Ų | 94.6 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -101.2 | 141.6 | 173.4 | -51.1 | -57.7 | 0 | 0 | 0 | 108.1 | T58 R59 F65 V66 | T58-I61 VanDerWaalsContact O-CB 3.32Å; T58-I61 WeakPolarHBondContact O-CB 3.42Å; T58-I61 PolarHBondContact O-N 3.32Å; R59-I61 VanDerWaalsContact C-N 3.26Å; I61-F65 HydrophobicContact CG2-CB 4.17Å; I61-V66 HydrophobicContact CB-CG2 3.85Å; I61-V66 HydrophobicContact CG2-CG2 3.95Å |
| 62 | S | 94.5 | Very high | 90.2 | Very high | 56 Ų | 56 | 98.3 Ų | 98.3 | 39% | 0.392 | 57% | 0.566 | S | S | . | * | trans | -55.1 | 134 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | E64 F65 V66 | S62-E64 PolarHBondContact O-N 3.44Å; S62-E64 VanDerWaalsContact O-N 3.09Å; S62-E64 PolarHBondContact OG-N 3.42Å; S62-F65 PolarHBondContact O-N 3.48Å; S62-V66 PolarHBondContact O-N 3.37Å | ||
| 63 | P | 92.5 | Very high | 88.9 | Confident | 90 Ų | 90 | 97.5 Ų | 97.5 | 58% | 0.584 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -55 | -28.3 | 177.7 | -27.2 | 34.9 | 0 | 0 | 0 | 114.1 | F65 V66 N67 | P63-F65 VanDerWaalsContact C-N 3.27Å; P63-F65 PolarHBondContact O-N 3.35Å; P63-V66 PolarHBondContact O-N 2.98Å; P63-N67 VanDerWaalsContact O-CB 3.27Å; P63-N67 WeakPolarHBondContact O-CB 3.48Å; P63-N67 VanDerWaalsContact O-CG 3.27Å; P63-N67 PolarHBondContact O-N 3.27Å; P63-N67 PolarHBondContact O-ND2 3.5Å |
| 64 | E | 93 | Very high | 87.5 | Confident | 146 Ų | 146 | 99 Ų | 99 | 68% | 0.682 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -56.2 | -41.9 | 175.7 | -176.7 | -177.1 | 173 | 0 | 0 | 111.9 | S62 S68 | S62-E64 PolarHBondContact O-N 3.44Å; S62-E64 VanDerWaalsContact O-N 3.09Å; S62-E64 PolarHBondContact OG-N 3.42Å; E64-S68 PolarHBondContact O-N 2.95Å |
| 65 | F | 91.2 | Very high | 86 | Confident | 134 Ų | 134 | 100 Ų | 100 | 59% | 0.588 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -82.2 | -38.2 | 179.3 | -60 | -64.2 | 0 | 0 | 0 | 112 | I61 S62 P63 N67 S68 | I61-F65 HydrophobicContact CG2-CB 4.17Å; S62-F65 PolarHBondContact O-N 3.48Å; P63-F65 VanDerWaalsContact C-N 3.27Å; P63-F65 PolarHBondContact O-N 3.35Å; F65-N67 VanDerWaalsContact C-N 3.26Å; F65-N67 PolarHBondContact O-N 3.13Å; F65-S68 WeakPolarHBondContact O-CB 3.43Å; F65-S68 PolarHBondContact O-N 3.1Å; F65-S68 VanDerWaalsContact O-N 3.17Å; F65-S68 PolarHBondContact O-OG 3.26Å |
| 66 | V | 91.6 | Very high | 84.4 | Confident | 62 Ų | 62 | 98 Ų | 98 | 38% | 0.376 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.1 | -38.1 | 178.5 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | I61 S62 P63 S68 | I61-V66 HydrophobicContact CB-CG2 3.85Å; I61-V66 HydrophobicContact CG2-CG2 3.95Å; S62-V66 PolarHBondContact O-N 3.37Å; P63-V66 PolarHBondContact O-N 2.98Å; V66-S68 VanDerWaalsContact C-N 3.35Å |
| 67 | N | 90.4 | Very high | 83 | Confident | 132 Ų | 132 | 97 Ų | 97 | 71% | 0.706 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -2.7 | 179.8 | -62.2 | -36 | 0 | 0 | 0 | 113.2 | P63 F65 | P63-N67 VanDerWaalsContact O-CB 3.27Å; P63-N67 WeakPolarHBondContact O-CB 3.48Å; P63-N67 VanDerWaalsContact O-CG 3.27Å; P63-N67 PolarHBondContact O-N 3.27Å; P63-N67 PolarHBondContact O-ND2 3.5Å; F65-N67 VanDerWaalsContact C-N 3.26Å; F65-N67 PolarHBondContact O-N 3.13Å |
| 68 | S | 87.7 | Confident | 81.5 | Confident | 60 Ų | 60 | 99.3 Ų | 99.3 | 42% | 0.42 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -65.1 | 138.4 | 176.1 | 71.4 | 0 | 0 | 0 | 0 | 109.7 | E64 F65 V66 V70 | E64-S68 PolarHBondContact O-N 2.95Å; F65-S68 WeakPolarHBondContact O-CB 3.43Å; F65-S68 PolarHBondContact O-N 3.1Å; F65-S68 VanDerWaalsContact O-N 3.17Å; F65-S68 PolarHBondContact O-OG 3.26Å; V66-S68 VanDerWaalsContact C-N 3.35Å; S68-V70 PolarHBondContact O-N 2.9Å |
| 69 | S | 81.5 | Confident | 80.1 | Confident | 108 Ų | 108 | 101.4 Ų | 101.4 | 76% | 0.755 | 57% | 0.572 | S | S | * | * | trans | -63.6 | 130.2 | 166 | -172.7 | 0 | 0 | 0 | 0 | 107.3 | P71 | S69-P71 WeakPolarHBondContact O-CD 2.99Š| ||
| 70 | V | 79.3 | Confident | 78.6 | Confident | 128 Ų | 128 | 101 Ų | 101 | 78% | 0.776 | 57% | 0.571 | S | S | * | * | trans | -84 | 97.5 | 168.9 | -177.9 | 0 | 0 | 0 | 0 | 106.3 | S68 N72 | S68-V70 PolarHBondContact O-N 2.9Å; V70-N72 PolarHBondContact O-N 2.82Å | ||
| 71 | P | 72.6 | Confident | 77 | Confident | 74 Ų | 74 | 99.9 Ų | 99.9 | 48% | 0.481 | 57% | 0.574 | S | S | . | * | trans | -65.5 | 139.9 | 178.8 | 29.8 | -35.7 | 0 | 0 | 0 | 108.6 | S69 L74 | S69-P71 WeakPolarHBondContact O-CD 2.99Å; P71-L74 HydrophobicContact CB-CD2 3.92Å; P71-L74 HydrophobicContact CG-CD2 3.94Å; P71-L74 HydrophobicContact CG-CG 4.38Å | ||
| 72 | N | 71 | Confident | 75.5 | Confident | 157 Ų | 157 | 105 Ų | 105 | 84% | 0.84 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -54.7 | 145.8 | 157.6 | -72 | -45.2 | 0 | 0 | 0 | 108.5 | V70 L74 | V70-N72 PolarHBondContact O-N 2.82Å; N72-L74 PolarHBondContact O-N 3.29Å; N72-L74 VanDerWaalsContact O-N 3.15Å |
| 73 | S | 69.4 | Low | 73.8 | Confident | 75 Ų | 75 | 106.3 Ų | 106.3 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | trans | -28.7 | 116.8 | -175.8 | -179 | 0 | 0 | 0 | 0 | 112.7 | I75 R80 | S73-I75 PolarHBondContact O-N 3.26Å; S73-R80 PolarHBondContact OG-NH2 3.25Å | ||
| 74 | L | 65.5 | Low | 72.1 | Confident | 139 Ų | 139 | 107.5 Ų | 107.5 | 73% | 0.728 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -59.7 | -12.3 | -177.1 | -63.8 | 174 | 0 | 0 | 0 | 113.4 | P71 N72 C76 | P71-L74 HydrophobicContact CB-CD2 3.92Å; P71-L74 HydrophobicContact CG-CD2 3.94Å; P71-L74 HydrophobicContact CG-CG 4.38Å; N72-L74 PolarHBondContact O-N 3.29Å; N72-L74 VanDerWaalsContact O-N 3.15Å; L74-C76 PolarHBondContact O-N 3.21Å |
| 75 | I | 63.9 | Low | 70.5 | Confident | 76 Ų | 76 | 110.1 Ų | 110.1 | 39% | 0.39 | 60% | 0.599 | S | S | . | * | trans | -83 | 99.1 | -179.7 | -51.1 | 178.3 | 0 | 0 | 0 | 108.6 | S73 M79 R80 | S73-I75 PolarHBondContact O-N 3.26Å; I75-M79 HydrophobicContact CG2-CB 3.77Å; I75-R80 HydrophobicContact CB-CG 4.48Å; I75-R80 HydrophobicContact CG2-CB 4.41Å; I75-R80 HydrophobicContact CG2-CG 3.46Å; I75-R80 VanDerWaalsContact CG2-CG 3.46Å; I75-R80 PolarHBondContact O-NH1 3.38Å | ||
| 76 | C | 61.4 | Low | 69.1 | Low | 88 Ų | 88 | 106 Ų | 106 | 60% | 0.595 | 60% | 0.595 | S | S | * | * | trans | -62.5 | 152 | 164.1 | -63.7 | 0 | 0 | 0 | 0 | 110.2 | L74 V78 M79 R80 | L74-C76 PolarHBondContact O-N 3.21Å; C76-V78 PolarHBondContact O-N 3.49Å; C76-M79 PolarHBondContact O-N 3.44Å; C76-R80 PolarHBondContact O-N 3.35Å | ||
| 77 | S | 64.7 | Low | 67.8 | Low | 90 Ų | 90 | 106.2 Ų | 106.2 | 63% | 0.629 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -47.5 | -33.9 | 178.3 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | M79 R80 A81 | S77-M79 PolarHBondContact O-N 2.93Å; S77-R80 WeakPolarHBondContact O-CB 3.4Å; S77-R80 PolarHBondContact O-N 3.15Å; S77-A81 PolarHBondContact O-N 3.17Å |
| 78 | V | 63.7 | Low | 66.7 | Low | 87 Ų | 87 | 106.1 Ų | 106.1 | 53% | 0.527 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.2 | -39.7 | 177.4 | -177.8 | 0 | 0 | 0 | 0 | 112.9 | C76 R82 | C76-V78 PolarHBondContact O-N 3.49Å; V78-R82 PolarHBondContact O-N 3.31Å |
| 79 | M | 64.8 | Low | 66.3 | Low | 114 Ų | 114 | 111.5 Ų | 111.5 | 56% | 0.562 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.9 | -35 | 175.4 | -74.3 | -169.7 | 179.7 | 0 | 0 | 111.6 | I75 C76 S77 A81 R82 N83 | I75-M79 HydrophobicContact CG2-CB 3.77Å; C76-M79 PolarHBondContact O-N 3.44Å; S77-M79 PolarHBondContact O-N 2.93Å; M79-A81 VanDerWaalsContact C-N 3.33Å; M79-A81 PolarHBondContact O-N 3.38Å; M79-R82 PolarHBondContact O-N 3.02Å; M79-N83 WeakPolarHBondContact O-CB 3.32Å; M79-N83 PolarHBondContact O-N 3.48Å; M79-N83 VanDerWaalsContact O-N 3.13Å; M79-N83 PolarHBondContact O-ND2 2.93Å |
| 80 | R | 62.1 | Low | 66.4 | Low | 115 Ų | 115 | 111.2 Ų | 111.2 | 43% | 0.434 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -57.9 | -47.4 | 171.2 | -69.2 | -166.6 | 174.9 | 84.2 | 7.4 | 110.9 | S73 I75 C76 S77 R82 N83 H84 | S73-R80 PolarHBondContact OG-NH2 3.25Å; I75-R80 HydrophobicContact CB-CG 4.48Å; I75-R80 HydrophobicContact CG2-CB 4.41Å; I75-R80 HydrophobicContact CG2-CG 3.46Å; I75-R80 VanDerWaalsContact CG2-CG 3.46Å; I75-R80 PolarHBondContact O-NH1 3.38Å; C76-R80 PolarHBondContact O-N 3.35Å; S77-R80 WeakPolarHBondContact O-CB 3.4Å; S77-R80 PolarHBondContact O-N 3.15Å; R80-R82 PolarHBondContact O-N 3.36Å; R80-N83 PolarHBondContact O-N 3.09Å; R80-H84 PolarHBondContact O-CD2 2.68Å; R80-H84 PolarHBondContact O-N 3.1Å; R80-H84 VanDerWaalsContact O-N 3.11Å |
| 81 | A | 62.8 | Low | 66.6 | Low | 71 Ų | 71 | 111.3 Ų | 111.3 | 59% | 0.587 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.5 | -38.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S77 M79 | S77-A81 PolarHBondContact O-N 3.17Å; M79-A81 VanDerWaalsContact C-N 3.33Å; M79-A81 PolarHBondContact O-N 3.38Å |
| 82 | R | 61 | Low | 67.3 | Low | 204 Ų | 204 | 112.8 Ų | 112.8 | 77% | 0.77 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.7 | -32.7 | 178.3 | -79.2 | -179.7 | 162.9 | 153.4 | -3.1 | 113.6 | V78 M79 R80 | V78-R82 PolarHBondContact O-N 3.31Å; M79-R82 PolarHBondContact O-N 3.02Å; R80-R82 PolarHBondContact O-N 3.36Å |
| 83 | N | 59.5 | Low | 68.3 | Low | 83 Ų | 83 | 109 Ų | 109 | 44% | 0.444 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -91.1 | -11.1 | -175.3 | -67 | -18.8 | 0 | 0 | 0 | 113.2 | M79 R80 H85 G86 I87 | M79-N83 WeakPolarHBondContact O-CB 3.32Å; M79-N83 PolarHBondContact O-N 3.48Å; M79-N83 VanDerWaalsContact O-N 3.13Å; M79-N83 PolarHBondContact O-ND2 2.93Å; R80-N83 PolarHBondContact O-N 3.09Å; N83-H85 PolarHBondContact O-N 3.19Å; N83-G86 PolarHBondContact O-N 3.07Å; N83-I87 HydrophobicContact CB-CD1 3.85Å; N83-I87 HydrophobicContact CB-CG2 3.83Å; N83-I87 VanDerWaalsContact O-CG1 3.22Å; N83-I87 WeakPolarHBondContact O-CG1 3.42Å; N83-I87 WeakPolarHBondContact O-CG2 3.33Å; N83-I87 PolarHBondContact O-N 2.83Å |
| 84 | H | 58 | Low | 69.3 | Low | 114 Ų | 114 | 113.3 Ų | 113.3 | 53% | 0.528 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.4 | -17.3 | -175.5 | -105.1 | -55.7 | 0 | 0 | 0 | 115.2 | R80 G86 | R80-H84 PolarHBondContact O-CD2 2.68Å; R80-H84 PolarHBondContact O-N 3.1Å; R80-H84 VanDerWaalsContact O-N 3.11Å; H84-G86 VanDerWaalsContact C-N 3.32Å; H84-G86 PolarHBondContact O-N 3.41Å |
| 85 | H | 58.5 | Low | 70.5 | Confident | 201 Ų | 201 | 112.3 Ų | 112.3 | 93% | 0.931 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 11.3 | -177.1 | -121 | 65.9 | 0 | 0 | 0 | 115.3 | N83 | N83-H85 PolarHBondContact O-N 3.19Š|
| 86 | G | 61.3 | Low | 71.8 | Confident | 49 Ų | 49 | 117.2 Ų | 117.2 | 51% | 0.505 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -167.5 | -11.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | N83 H84 T90 | N83-G86 PolarHBondContact O-N 3.07Å; H84-G86 VanDerWaalsContact C-N 3.32Å; H84-G86 PolarHBondContact O-N 3.41Å; G86-T90 PolarHBondContact O-OG1 2.85Å |
| 87 | I | 64.6 | Low | 73.2 | Confident | 66 Ų | 66 | 118.9 Ų | 118.9 | 34% | 0.338 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -74.8 | -26.6 | 179.7 | 63.8 | -178.4 | 0 | 0 | 0 | 113.9 | N83 E89 T90 F91 | N83-I87 HydrophobicContact CB-CD1 3.85Å; N83-I87 HydrophobicContact CB-CG2 3.83Å; N83-I87 VanDerWaalsContact O-CG1 3.22Å; N83-I87 WeakPolarHBondContact O-CG1 3.42Å; N83-I87 WeakPolarHBondContact O-CG2 3.33Å; N83-I87 PolarHBondContact O-N 2.83Å; I87-E89 PolarHBondContact O-N 3.33Å; I87-T90 WeakPolarHBondContact O-CB 3.42Å; I87-T90 PolarHBondContact O-N 2.8Å; I87-F91 WeakPolarHBondContact O-CD2 3.28Å |
| 88 | D | 67.6 | Low | 74.4 | Confident | 130 Ų | 130 | 118 Ų | 118 | 70% | 0.695 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.4 | -36.8 | -168 | -153.2 | 23.4 | 0 | 0 | 0 | 111.7 | ||
| 89 | E | 79 | Confident | 75.7 | Confident | 173 Ų | 173 | 120.2 Ų | 120.2 | 81% | 0.808 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -79.3 | -26.7 | 174.1 | -63.7 | -168.9 | 165.2 | 0 | 0 | 113.1 | I87 F91 S92 | I87-E89 PolarHBondContact O-N 3.33Å; E89-F91 PolarHBondContact O-N 2.95Å; E89-F91 VanDerWaalsContact O-N 3.15Å; E89-S92 WeakPolarHBondContact O-CB 3.32Å; E89-S92 PolarHBondContact O-N 3.27Å; E89-S92 VanDerWaalsContact O-N 3.1Å |
| 90 | T | 83.8 | Confident | 76.7 | Confident | 101 Ų | 101 | 122.6 Ų | 122.6 | 62% | 0.62 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -58.4 | -31 | -178.9 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | G86 I87 | G86-T90 PolarHBondContact O-OG1 2.85Å; I87-T90 WeakPolarHBondContact O-CB 3.42Å; I87-T90 PolarHBondContact O-N 2.8Å |
| 91 | F | 84.5 | Confident | 77.3 | Confident | 130 Ų | 130 | 124.1 Ų | 124.1 | 57% | 0.57 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 16.9 | -179.1 | -57.9 | -77.1 | 0 | 0 | 0 | 113.3 | I87 E89 G93 F94 | I87-F91 WeakPolarHBondContact O-CD2 3.28Å; E89-F91 PolarHBondContact O-N 2.95Å; E89-F91 VanDerWaalsContact O-N 3.15Å; F91-G93 PolarHBondContact O-N 3.35Å; F91-F94 HydrophobicContact CB-CB 4.18Å; F91-F94 WeakPolarHBondContact O-CB 3.27Å; F91-F94 PolarHBondContact O-N 3.33Å |
| 92 | S | 87.3 | Confident | 77.4 | Confident | 106 Ų | 106 | 127.7 Ų | 127.7 | 74% | 0.741 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 126.2 | 172.8 | -172.1 | 0 | 0 | 0 | 0 | 110.2 | E89 | E89-S92 WeakPolarHBondContact O-CB 3.32Å; E89-S92 PolarHBondContact O-N 3.27Å; E89-S92 VanDerWaalsContact O-N 3.1Å |
| 93 | G | 90.1 | Very high | 77.2 | Confident | 77 Ų | 77 | 126.7 Ų | 126.7 | 79% | 0.794 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.5 | 4.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | F91 | F91-G93 PolarHBondContact O-N 3.35Š|
| 94 | F | 91 | Very high | 76.3 | Confident | 166 Ų | 166 | 131 Ų | 131 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | trans | -71.1 | -33.3 | 178.1 | -173.4 | -97.4 | 0 | 0 | 0 | 113.7 | F91 | F91-F94 HydrophobicContact CB-CB 4.18Å; F91-F94 WeakPolarHBondContact O-CB 3.27Å; F91-F94 PolarHBondContact O-N 3.33Å | ||
| 95 | S | 90.6 | Very high | 77.2 | Confident | 118 Ų | 118 | 131.9 Ų | 131.9 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -68.9 | 133.4 | -179.2 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 96 | Y | 91.5 | Very high | 78.2 | Confident | 178 Ų | 178 | 128.3 Ų | 128.3 | 70% | 0.698 | 72% | 0.72 | S | S | * | * | trans | -136.3 | 137.7 | 179.7 | 172.6 | -105 | 0 | 0 | 0 | 111 | P98 | Y96-P98 HydrophobicContact CD1-CG 4.36Å; Y96-P98 HydrophobicContact CE1-CB 4.12Å; Y96-P98 HydrophobicContact CE1-CG 3.73Å | ||
| 97 | V | 91.4 | Very high | 79.1 | Confident | 123 Ų | 123 | 132.7 Ų | 132.7 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | trans | -121.5 | 122 | 169.3 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | T99 | V97-T99 PolarHBondContact O-N 3.22Š| ||
| 98 | P | 90 | Very high | 80 | Confident | 72 Ų | 72 | 136.6 Ų | 136.6 | 47% | 0.468 | 76% | 0.755 | S | S | . | * | trans | -56.8 | 131.5 | 176.2 | -21.3 | 29.8 | 0 | 0 | 0 | 111.9 | Y96 K100 | Y96-P98 HydrophobicContact CD1-CG 4.36Å; Y96-P98 HydrophobicContact CE1-CB 4.12Å; Y96-P98 HydrophobicContact CE1-CG 3.73Å; P98-K100 PolarHBondContact O-N 2.94Å | ||
| 99 | T | 89.5 | Confident | 80.8 | Confident | 134 Ų | 134 | 137 Ų | 137 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -75.9 | -12.4 | 178.1 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | V97 | V97-T99 PolarHBondContact O-N 3.22Š|
| 100 | K | 86.6 | Confident | 80.9 | Confident | 163 Ų | 163 | 134.6 Ų | 134.6 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -129.3 | 128.2 | 176.8 | -63.5 | -177.2 | -179 | -179.2 | 0 | 109.5 | P98 I102 | P98-K100 PolarHBondContact O-N 2.94Å; K100-I102 PolarHBondContact O-N 3.06Å |
| 101 | N | 74.8 | Confident | 80.7 | Confident | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -71.9 | 114 | 164.2 | -91.1 | -27.9 | 0 | 0 | 0 | 108.3 | H103 | N101-H103 PolarHBondContact O-N 2.74Š| ||
| 102 | I | 64.3 | Low | 80.4 | Confident | 146 Ų | 146 | 137.5 Ų | 137.5 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 12.9 | -178.6 | -30.2 | 176.8 | 0 | 0 | 0 | 111.5 | K100 | K100-I102 PolarHBondContact O-N 3.06Š|
| 103 | H | 57.4 | Low | 79.8 | Confident | 183 Ų | 183 | 140.2 Ų | 140.2 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.7 | 23.1 | -172.8 | -63.9 | -53.7 | 0 | 0 | 0 | 114 | N101 | N101-H103 PolarHBondContact O-N 2.74Š|
| 104 | S | 40.4 | Very low | 78.9 | Confident | 175 Ų | 175 | 145.9 Ų | 145.9 | 100% | 1.224 | 78% | 0.782 | S | S | * | * | trans | -96.8 | 0 | 163.2 | -79.9 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 104 of 104 residues in 41 ms
(Link to these results)