| 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 | 60.6 | Low | 83.9 | Confident | 118 Ų | 118 | 89.3 Ų | 89.3 | 58% | 0.581 | 53% | 0.533 | S | S | * | . | 0 | 88.8 | 0 | -66.9 | -175.5 | -164.2 | 0 | 0 | 109.4 | E5 W93 | M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 PolarHBondContact N-OE1 2.93Å; M1-E5 PolarHBondContact N-OE2 2.79Å; M1-W93 HydrophobicContact CE-CH2 3.69Å; M1-W93 HydrophobicContact CE-CZ2 3.2Å; M1-W93 HydrophobicContact SD-CH2 4.45Å; M1-W93 HydrophobicContact SD-CZ2 3.46Å; M1-W93 WeakPolarHBondContact SD-CZ2 3.49Å | |||
| 2 | G | 74.6 | Confident | 84.5 | Confident | 30 Ų | 30 | 89.2 Ų | 89.2 | 31% | 0.309 | 53% | 0.526 | S | S | . | . | trans | -130.1 | 172.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | D4 S6 | G2-D4 PolarHBondContact O-N 3.24Å; G2-S6 PolarHBondContact O-N 3.31Å; G2-S6 PolarHBondContact O-OG 3.02Å | ||
| 3 | A | 83.1 | Confident | 84.9 | Confident | 54 Ų | 54 | 83.9 Ų | 83.9 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -35.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S6 A8 I11 | A3-S6 PolarHBondContact O-N 3.43Å; A3-A8 HydrophobicContact CB-CB 4.26Å; A3-A8 WeakPolarHBondContact O-CB 3.47Å; A3-A8 PolarHBondContact O-N 3.3Å; A3-I11 HydrophobicContact CB-CD1 3.71Å; A3-I11 HydrophobicContact CB-CG1 3.96Å |
| 4 | D | 85.2 | Confident | 85 | Confident | 96 Ų | 96 | 84.4 Ų | 84.4 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -63.7 | -50.8 | 176.6 | -166.8 | 55.6 | 0 | 0 | 0 | 111.8 | G2 S6 D7 I11 | G2-D4 PolarHBondContact O-N 3.24Å; D4-S6 PolarHBondContact O-N 3.11Å; D4-S6 VanDerWaalsContact O-N 3.07Å; D4-D7 PolarHBondContact O-N 3.32Å; D4-I11 HydrophobicContact CB-CD1 4.02Å |
| 5 | E | 84.3 | Confident | 85 | Confident | 122 Ų | 122 | 81.5 Ų | 81.5 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -63.5 | -14.5 | 173.8 | -68.1 | 174.7 | -136.1 | 0 | 0 | 114.6 | M1 D7 | M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 PolarHBondContact N-OE1 2.93Å; M1-E5 PolarHBondContact N-OE2 2.79Å; E5-D7 VanDerWaalsContact C-N 3.3Å |
| 6 | S | 86 | Confident | 84.5 | Confident | 90 Ų | 90 | 77.4 Ų | 77.4 | 63% | 0.629 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -94.3 | 14.6 | 177.3 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | G2 A3 D4 A8 | G2-S6 PolarHBondContact O-N 3.31Å; G2-S6 PolarHBondContact O-OG 3.02Å; A3-S6 PolarHBondContact O-N 3.43Å; D4-S6 PolarHBondContact O-N 3.11Å; D4-S6 VanDerWaalsContact O-N 3.07Å; S6-A8 VanDerWaalsContact C-N 3.25Å; S6-A8 PolarHBondContact O-N 3.35Å |
| 7 | D | 86.4 | Confident | 83.6 | Confident | 152 Ų | 152 | 79.4 Ų | 79.4 | 81% | 0.813 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 37.6 | -177.2 | -64.6 | -41.4 | 0 | 0 | 0 | 113.2 | D4 E5 S9 | D4-D7 PolarHBondContact O-N 3.32Å; E5-D7 VanDerWaalsContact C-N 3.3Å; D7-S9 PolarHBondContact O-N 2.85Å |
| 8 | A | 88.7 | Confident | 82.6 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | trans | -62.5 | 122.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | A3 S6 M10 I11 | A3-A8 HydrophobicContact CB-CB 4.26Å; A3-A8 WeakPolarHBondContact O-CB 3.47Å; A3-A8 PolarHBondContact O-N 3.3Å; S6-A8 VanDerWaalsContact C-N 3.25Å; S6-A8 PolarHBondContact O-N 3.35Å; A8-M10 PolarHBondContact O-N 3.37Å; A8-I11 HydrophobicContact CB-CD1 4.36Å; A8-I11 HydrophobicContact CB-CG1 3.95Å | ||
| 9 | S | 90.5 | Very high | 81.7 | Confident | 132 Ų | 132 | 76.2 Ų | 76.2 | 92% | 0.923 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -65.5 | -23.7 | -178.9 | 59.9 | 0 | 0 | 0 | 0 | 114 | D7 | D7-S9 PolarHBondContact O-N 2.85Š|
| 10 | M | 91.1 | Very high | 81.2 | Confident | 110 Ų | 110 | 74.9 Ų | 74.9 | 54% | 0.542 | 44% | 0.444 | S | S | . | . | trans | -153.4 | 128.4 | 178.2 | -175.5 | 177.8 | -74 | 0 | 0 | 110.3 | A8 I12 A33 | A8-M10 PolarHBondContact O-N 3.37Å; M10-I12 HydrophobicContact CG-CG1 4.04Å; M10-I12 HydrophobicContact SD-CD1 4Å; M10-I12 HydrophobicContact SD-CG1 4.1Å; M10-A33 HydrophobicContact CG-CB 4.4Å | ||
| 11 | I | 92.5 | Very high | 81 | Confident | 34 Ų | 34 | 76.5 Ų | 76.5 | 17% | 0.174 | 46% | 0.456 | C | S | . | . | trans | -115.6 | 120.6 | 173.5 | -58.6 | 169 | 0 | 0 | 0 | 107.6 | A3 D4 A8 A32 A33 H34 | A3-I11 HydrophobicContact CB-CD1 3.71Å; A3-I11 HydrophobicContact CB-CG1 3.96Å; D4-I11 HydrophobicContact CB-CD1 4.02Å; A8-I11 HydrophobicContact CB-CD1 4.36Å; A8-I11 HydrophobicContact CB-CG1 3.95Å; I11-A32 HydrophobicContact CG2-CB 4.3Å; I11-A32 CarbonylContact O-C 3.59Å; I11-A33 PolarHBondContact O-N 3.46Å; I11-H34 PolarHBondContact O-N 2.78Å | ||
| 12 | I | 91.1 | Very high | 82.1 | Confident | 88 Ų | 88 | 75 Ų | 75 | 45% | 0.451 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 113.4 | 176.3 | -56.8 | 178.1 | 0 | 0 | 0 | 107.7 | M10 I14 H34 Y36 | M10-I12 HydrophobicContact CG-CG1 4.04Å; M10-I12 HydrophobicContact SD-CD1 4Å; M10-I12 HydrophobicContact SD-CG1 4.1Å; I12-I14 HydrophobicContact CG2-CG1 4.29Å; I12-H34 HydrophobicContact CG1-CB 4.49Å; I12-H34 HydrophobicContact CG2-CB 4.43Å; I12-Y36 HydrophobicContact CG2-CD2 3.64Å; I12-Y36 HydrophobicContact CG2-CE2 3.82Å |
| 13 | A | 89.5 | Confident | 82.5 | Confident | 21 Ų | 21 | 75.2 Ų | 75.2 | 17% | 0.174 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 135 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | A27 A32 H34 F35 Y36 | A13-A27 HydrophobicContact CB-CB 3.82Å; A13-A32 HydrophobicContact CB-CB 3.75Å; A13-H34 PolarHBondContact N-O 3.16Å; A13-F35 HydrophobicContact CB-CD2 3.79Å; A13-F35 HydrophobicContact CB-CE2 4.5Å; A13-F35 WeakPolarHBondContact O-CA 3.39Å; A13-Y36 PolarHBondContact O-N 3.47Å |
| 14 | I | 86.7 | Confident | 82.5 | Confident | 91 Ų | 91 | 74.1 Ų | 74.1 | 47% | 0.467 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 117.6 | 177.1 | -58.1 | 178.6 | 0 | 0 | 0 | 107.5 | I12 Y36 P38 | I12-I14 HydrophobicContact CG2-CG1 4.29Å; I14-Y36 WeakPolarHBondContact CA-O 3.45Å; I14-P38 HydrophobicContact CG2-CG 3.6Å |
| 15 | D | 85 | Confident | 82.6 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 22% | 0.219 | 43% | 0.432 | C | S | . | . | trans | -116.6 | 119 | 172.2 | -160.4 | -37.1 | 0 | 0 | 0 | 109.7 | F17 T18 F35 Y36 N37 | D15-F17 PolarHBondContact OD1-N 2.85Å; D15-T18 PolarHBondContact OD1-N 3.24Å; D15-T18 PolarHBondContact OD2-OG1 3.24Å; D15-F35 HydrophobicContact CB-CE2 3.87Å; D15-F35 HydrophobicContact CB-CZ 3.54Å; D15-Y36 PolarHBondContact N-O 3.45Å; D15-Y36 VanDerWaalsContact N-O 3.08Å; D15-N37 VanDerWaalsContact O-CA 3.22Å; D15-N37 WeakPolarHBondContact O-CA 3.44Å; D15-N37 WeakPolarHBondContact O-CB 3.48Å; D15-N37 PolarHBondContact O-ND2 2.88Å; D15-N37 PolarHBondContact O-OD1 3.46Å | ||
| 16 | A | 77 | Confident | 82.7 | Confident | 15 Ų | 15 | 72.3 Ų | 72.3 | 12% | 0.124 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -96.8 | -9.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R40 T45 | A16-R40 VanDerWaalsContact CB-O 3.32Å; A16-R40 WeakPolarHBondContact CB-O 3.4Å; A16-T45 HydrophobicContact CB-CG2 4.36Å |
| 17 | F | 69.7 | Low | 82.9 | Confident | 111 Ų | 111 | 69 Ų | 69 | 49% | 0.487 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -103.7 | -38.7 | -173.2 | -66.2 | -80.2 | 0 | 0 | 0 | 111.6 | D15 H42 | D15-F17 PolarHBondContact OD1-N 2.85Å; F17-H42 HydrophobicContact CE1-CB 4.35Å; F17-H42 HydrophobicContact CE2-CB 4.49Å; F17-H42 AromaticContact CE2-CD2 3.88Å; F17-H42 HydrophobicContact CZ-CB 3.66Å; F17-H42 AromaticContact CZ-CD2 3.71Å; F17-H42 AromaticContact CZ-CG 3.97Å |
| 18 | T | 64.4 | Low | 82.9 | Confident | 16 Ų | 16 | 69.3 Ų | 69.3 | 10% | 0.098 | 38% | 0.382 | C | S | . | . | trans | -132 | 128.8 | -167.8 | 61.6 | 0 | 0 | 0 | 0 | 110.8 | D15 T20 D23 N37 R136 | D15-T18 PolarHBondContact OD1-N 3.24Å; D15-T18 PolarHBondContact OD2-OG1 3.24Å; T18-T20 VanDerWaalsContact C-N 3.34Å; T18-D23 VanDerWaalsContact CB-OD2 3.26Å; T18-D23 WeakPolarHBondContact CB-OD2 3.43Å; T18-D23 PolarHBondContact OG1-OD2 3.01Å; T18-N37 VanDerWaalsContact C-ND2 3.25Å; T18-N37 PolarHBondContact O-ND2 3.41Å; T18-R136 WeakPolarHBondContact CG2-O 3.28Å | ||
| 19 | A | 65.3 | Low | 82.9 | Confident | 82 Ų | 82 | 72 Ų | 72 | 68% | 0.678 | 39% | 0.387 | S | S | * | . | trans | -102.2 | 32.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | N37 | A19-N37 WeakPolarHBondContact CA-ND2 3.44Å; A19-N37 WeakPolarHBondContact CB-ND2 3.32Å; A19-N37 PolarHBondContact N-ND2 3.1Å | ||
| 20 | T | 72.4 | Confident | 82.8 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 31% | 0.313 | 36% | 0.357 | S | S | . | . | trans | -76.1 | 138.2 | -179.1 | 79.9 | 0 | 0 | 0 | 0 | 109.6 | T18 F22 D23 | T18-T20 VanDerWaalsContact C-N 3.34Å; T20-F22 PolarHBondContact O-N 3.15Å; T20-F22 VanDerWaalsContact O-N 3.11Å; T20-D23 PolarHBondContact O-N 3.44Å; T20-D23 PolarHBondContact OG1-N 3.31Å; T20-D23 PolarHBondContact OG1-OD2 3.03Å | ||
| 21 | P | 78.2 | Confident | 82.7 | Confident | 108 Ų | 108 | 65 Ų | 65 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -54.8 | -28.1 | 170.9 | -27.3 | 35.4 | 0 | 0 | 0 | 112.2 | S24 F25 | P21-S24 PolarHBondContact O-N 2.92Å; P21-S24 PolarHBondContact O-OG 2.87Å; P21-F25 WeakPolarHBondContact O-CB 3.48Å; P21-F25 PolarHBondContact O-N 3.09Å |
| 22 | F | 82.9 | Confident | 82.6 | Confident | 86 Ų | 86 | 63.7 Ų | 63.7 | 38% | 0.377 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 177.9 | -175.5 | -98.1 | 0 | 0 | 0 | 112.8 | T20 S24 F25 R26 T118 | T20-F22 PolarHBondContact O-N 3.15Å; T20-F22 VanDerWaalsContact O-N 3.11Å; F22-S24 VanDerWaalsContact C-N 3.33Å; F22-S24 PolarHBondContact O-N 3.11Å; F22-F25 WeakPolarHBondContact O-CB 3.38Å; F22-F25 PolarHBondContact O-N 3.46Å; F22-R26 HydrophobicContact CD1-CG 4.13Å; F22-R26 HydrophobicContact CE1-CG 3.77Å; F22-R26 HydrophobicContact CE2-CG 4.35Å; F22-R26 HydrophobicContact CZ-CG 3.91Å; F22-R26 VanDerWaalsContact CZ-NE 3.3Å; F22-R26 WeakPolarHBondContact O-CG 3.44Å; F22-R26 PolarHBondContact O-N 3.44Å; F22-T118 HydrophobicContact CE1-CG2 4.42Å; F22-T118 HydrophobicContact CZ-CG2 4.38Å |
| 23 | D | 83.2 | Confident | 82.6 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 19% | 0.193 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | -179.7 | -58 | -40 | 0 | 0 | 0 | 111.1 | T18 T20 F25 R26 A27 F35 | T18-D23 VanDerWaalsContact CB-OD2 3.26Å; T18-D23 WeakPolarHBondContact CB-OD2 3.43Å; T18-D23 PolarHBondContact OG1-OD2 3.01Å; T20-D23 PolarHBondContact O-N 3.44Å; T20-D23 PolarHBondContact OG1-N 3.31Å; T20-D23 PolarHBondContact OG1-OD2 3.03Å; D23-F25 VanDerWaalsContact C-N 3.32Å; D23-F25 PolarHBondContact O-N 3.29Å; D23-R26 PolarHBondContact O-N 3.32Å; D23-A27 VanDerWaalsContact O-CB 3.3Å; D23-A27 WeakPolarHBondContact O-CB 2.85Å; D23-A27 PolarHBondContact O-N 3.21Å; D23-F35 HydrophobicContact CB-CE2 4.47Å; D23-F35 HydrophobicContact CB-CZ 4.27Å |
| 24 | S | 83.5 | Confident | 82.6 | Confident | 31 Ų | 31 | 65 Ų | 65 | 22% | 0.217 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 174.9 | 79.6 | 0 | 0 | 0 | 0 | 112.4 | P21 F22 R28 | P21-S24 PolarHBondContact O-N 2.92Å; P21-S24 PolarHBondContact O-OG 2.87Å; F22-S24 VanDerWaalsContact C-N 3.33Å; F22-S24 PolarHBondContact O-N 3.11Å; S24-R28 VanDerWaalsContact O-CG 3.31Å; S24-R28 WeakPolarHBondContact O-CG 3.26Å; S24-R28 PolarHBondContact O-N 3.37Å; S24-R28 VanDerWaalsContact O-N 3.16Å |
| 25 | F | 87.3 | Confident | 82.6 | Confident | 128 Ų | 128 | 62.6 Ų | 62.6 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.2 | -47.9 | 176.9 | 174.5 | -95.1 | 0 | 0 | 0 | 110.8 | P21 F22 D23 R28 Q29 | P21-F25 WeakPolarHBondContact O-CB 3.48Å; P21-F25 PolarHBondContact O-N 3.09Å; F22-F25 WeakPolarHBondContact O-CB 3.38Å; F22-F25 PolarHBondContact O-N 3.46Å; D23-F25 VanDerWaalsContact C-N 3.32Å; D23-F25 PolarHBondContact O-N 3.29Å; F25-R28 PolarHBondContact O-N 3.11Å; F25-Q29 PolarHBondContact O-N 2.95Å |
| 26 | R | 86.4 | Confident | 82.7 | Confident | 52 Ų | 52 | 66.9 Ų | 66.9 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 177.3 | -71.6 | -62 | -164.6 | 148.4 | 12.2 | 111.9 | F22 D23 R28 Q29 F30 A115 | F22-R26 HydrophobicContact CD1-CG 4.13Å; F22-R26 HydrophobicContact CE1-CG 3.77Å; F22-R26 HydrophobicContact CE2-CG 4.35Å; F22-R26 HydrophobicContact CZ-CG 3.91Å; F22-R26 VanDerWaalsContact CZ-NE 3.3Å; F22-R26 WeakPolarHBondContact O-CG 3.44Å; F22-R26 PolarHBondContact O-N 3.44Å; D23-R26 PolarHBondContact O-N 3.32Å; R26-R28 VanDerWaalsContact C-N 3.28Å; R26-R28 PolarHBondContact O-N 3.19Å; R26-Q29 WeakPolarHBondContact O-CB 3.45Å; R26-Q29 PolarHBondContact O-N 2.95Å; R26-Q29 VanDerWaalsContact O-N 3.14Å; R26-F30 WeakPolarHBondContact O-CD2 3.31Å; R26-F30 PolarHBondContact O-N 3.38Å; R26-F30 VanDerWaalsContact O-N 3.11Å; R26-A115 PolarHBondContact NH1-O 3.14Å; R26-A115 PolarHBondContact NH2-O 2.95Å; R26-A115 VanDerWaalsContact NH2-O 3.1Å |
| 27 | A | 88.3 | Confident | 83 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 17% | 0.165 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57 | -44.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | A13 D23 F30 G31 A32 F35 | A13-A27 HydrophobicContact CB-CB 3.82Å; D23-A27 VanDerWaalsContact O-CB 3.3Å; D23-A27 WeakPolarHBondContact O-CB 2.85Å; D23-A27 PolarHBondContact O-N 3.21Å; A27-F30 CarbonylContact O-C 3.54Å; A27-F30 PolarHBondContact O-N 2.6Å; A27-G31 PolarHBondContact O-N 3.19Å; A27-A32 VanDerWaalsContact C-CB 3.5Å; A27-A32 HydrophobicContact CB-CB 3.95Å; A27-A32 WeakPolarHBondContact O-CB 3.34Å; A27-A32 PolarHBondContact O-N 2.88Å; A27-F35 HydrophobicContact CB-CD2 3.79Å; A27-F35 HydrophobicContact CB-CE2 4.25Å |
| 28 | R | 88.1 | Confident | 83.1 | Confident | 159 Ų | 159 | 65.3 Ų | 65.3 | 60% | 0.6 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.5 | -37.3 | 176.6 | -71.6 | 176.6 | -176.9 | -166.3 | 3.1 | 112.9 | S24 F25 R26 F30 G31 A32 | S24-R28 VanDerWaalsContact O-CG 3.31Å; S24-R28 WeakPolarHBondContact O-CG 3.26Å; S24-R28 PolarHBondContact O-N 3.37Å; S24-R28 VanDerWaalsContact O-N 3.16Å; F25-R28 PolarHBondContact O-N 3.11Å; R26-R28 VanDerWaalsContact C-N 3.28Å; R26-R28 PolarHBondContact O-N 3.19Å; R28-F30 PolarHBondContact O-N 2.65Å; R28-G31 PolarHBondContact O-N 3.19Å; R28-G31 VanDerWaalsContact O-N 3.13Å; R28-A32 WeakPolarHBondContact CG-O 3.39Å |
| 29 | Q | 88 | Confident | 83.3 | Confident | 100 Ų | 100 | 69.8 Ų | 69.8 | 47% | 0.467 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.2 | -35.7 | 174.7 | -172.8 | -179 | 1.7 | 0 | 0 | 111.5 | F25 R26 | F25-Q29 PolarHBondContact O-N 2.95Å; R26-Q29 WeakPolarHBondContact O-CB 3.45Å; R26-Q29 PolarHBondContact O-N 2.95Å; R26-Q29 VanDerWaalsContact O-N 3.14Å |
| 30 | F | 87.6 | Confident | 83 | Confident | 67 Ų | 67 | 72.4 Ų | 72.4 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 24.8 | 177.8 | -62.3 | -66.4 | 0 | 0 | 0 | 114.1 | R26 A27 R28 A115 F116 | R26-F30 WeakPolarHBondContact O-CD2 3.31Å; R26-F30 PolarHBondContact O-N 3.38Å; R26-F30 VanDerWaalsContact O-N 3.11Å; A27-F30 CarbonylContact O-C 3.54Å; A27-F30 PolarHBondContact O-N 2.6Å; R28-F30 PolarHBondContact O-N 2.65Å; F30-A115 HydrophobicContact CE1-CB 4.03Å; F30-A115 HydrophobicContact CZ-CB 3.54Å; F30-F116 HydrophobicContact CE1-CE2 4.39Å; F30-F116 HydrophobicContact CE1-CZ 4.06Å; F30-F116 HydrophobicContact CE2-CE1 4.08Å; F30-F116 HydrophobicContact CE2-CZ 4.26Å; F30-F116 AromaticContact CZ-CE1 4Å; F30-F116 HydrophobicContact CZ-CE1 4Å; F30-F116 HydrophobicContact CZ-CE2 4.21Å; F30-F116 AromaticContact CZ-CZ 3.79Å; F30-F116 HydrophobicContact CZ-CZ 3.79Å |
| 31 | G | 89.3 | Confident | 82.4 | Confident | 27 Ų | 27 | 76.7 Ų | 76.7 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 3.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | A27 R28 A33 | A27-G31 PolarHBondContact O-N 3.19Å; R28-G31 PolarHBondContact O-N 3.19Å; R28-G31 VanDerWaalsContact O-N 3.13Å; G31-A33 PolarHBondContact O-N 3.2Å |
| 32 | A | 90.2 | Very high | 81.5 | Confident | 8 Ų | 8 | 74.1 Ų | 74.1 | 7% | 0.066 | 37% | 0.365 | C | S | . | . | trans | -68 | 117.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I11 A13 A27 R28 | I11-A32 HydrophobicContact CG2-CB 4.3Å; I11-A32 CarbonylContact O-C 3.59Å; A13-A32 HydrophobicContact CB-CB 3.75Å; A27-A32 VanDerWaalsContact C-CB 3.5Å; A27-A32 HydrophobicContact CB-CB 3.95Å; A27-A32 WeakPolarHBondContact O-CB 3.34Å; A27-A32 PolarHBondContact O-N 2.88Å; R28-A32 WeakPolarHBondContact CG-O 3.39Å | ||
| 33 | A | 90.7 | Very high | 80.5 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -72.2 | -36.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M10 I11 G31 | M10-A33 HydrophobicContact CG-CB 4.4Å; I11-A33 PolarHBondContact O-N 3.46Å; G31-A33 PolarHBondContact O-N 3.2Å |
| 34 | H | 90.2 | Very high | 79.7 | Confident | 80 Ų | 80 | 72.3 Ų | 72.3 | 37% | 0.37 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145.8 | 179.5 | -60.1 | -68.6 | 0 | 0 | 0 | 111 | I11 I12 A13 Y36 | I11-H34 PolarHBondContact O-N 2.78Å; I12-H34 HydrophobicContact CG1-CB 4.49Å; I12-H34 HydrophobicContact CG2-CB 4.43Å; A13-H34 PolarHBondContact N-O 3.16Å; H34-Y36 HydrophobicContact CB-CD2 4.34Å; H34-Y36 HydrophobicContact CB-CE2 3.61Å |
| 35 | F | 87.8 | Confident | 79.2 | Confident | 42 Ų | 42 | 72.1 Ų | 72.1 | 18% | 0.184 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.6 | 177 | -177.4 | -87.9 | 0 | 0 | 0 | 109.2 | A13 D15 D23 A27 | A13-F35 HydrophobicContact CB-CD2 3.79Å; A13-F35 HydrophobicContact CB-CE2 4.5Å; A13-F35 WeakPolarHBondContact O-CA 3.39Å; D15-F35 HydrophobicContact CB-CE2 3.87Å; D15-F35 HydrophobicContact CB-CZ 3.54Å; D23-F35 HydrophobicContact CB-CE2 4.47Å; D23-F35 HydrophobicContact CB-CZ 4.27Å; A27-F35 HydrophobicContact CB-CD2 3.79Å; A27-F35 HydrophobicContact CB-CE2 4.25Å |
| 36 | Y | 86.7 | Confident | 78.5 | Confident | 131 Ų | 131 | 66.9 Ų | 66.9 | 51% | 0.514 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 138.9 | 179.1 | -64.5 | -82.3 | 0 | 0 | 0 | 110.8 | I12 A13 I14 D15 H34 P38 | I12-Y36 HydrophobicContact CG2-CD2 3.64Å; I12-Y36 HydrophobicContact CG2-CE2 3.82Å; A13-Y36 PolarHBondContact O-N 3.47Å; I14-Y36 WeakPolarHBondContact CA-O 3.45Å; D15-Y36 PolarHBondContact N-O 3.45Å; D15-Y36 VanDerWaalsContact N-O 3.08Å; H34-Y36 HydrophobicContact CB-CD2 4.34Å; H34-Y36 HydrophobicContact CB-CE2 3.61Å; Y36-P38 WeakPolarHBondContact O-CD 3.32Å |
| 37 | N | 81.9 | Confident | 77.9 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 26% | 0.262 | 34% | 0.338 | S | S | . | . | trans | -114.4 | 98.2 | 169.8 | -175.8 | -41 | 0 | 0 | 0 | 110.4 | D15 T18 A19 S39 | D15-N37 VanDerWaalsContact O-CA 3.22Å; D15-N37 WeakPolarHBondContact O-CA 3.44Å; D15-N37 WeakPolarHBondContact O-CB 3.48Å; D15-N37 PolarHBondContact O-ND2 2.88Å; D15-N37 PolarHBondContact O-OD1 3.46Å; T18-N37 VanDerWaalsContact C-ND2 3.25Å; T18-N37 PolarHBondContact O-ND2 3.41Å; A19-N37 WeakPolarHBondContact CA-ND2 3.44Å; A19-N37 WeakPolarHBondContact CB-ND2 3.32Å; A19-N37 PolarHBondContact N-ND2 3.1Å; N37-S39 PolarHBondContact O-N 2.61Å; N37-S39 WeakPolarHBondContact OD1-CA 3.42Å; N37-S39 PolarHBondContact OD1-N 2.87Å | ||
| 38 | P | 73.5 | Confident | 77.4 | Confident | 43 Ų | 43 | 68.9 Ų | 68.9 | 28% | 0.279 | 35% | 0.347 | S | S | . | . | trans | -83.8 | 104.2 | 165.3 | 32.1 | -27.2 | 0 | 0 | 0 | 107 | I14 Y36 R40 | I14-P38 HydrophobicContact CG2-CG 3.6Å; Y36-P38 WeakPolarHBondContact O-CD 3.32Å; P38-R40 PolarHBondContact O-N 3.08Å | ||
| 39 | S | 68.8 | Low | 76.8 | Confident | 110 Ų | 110 | 64 Ų | 64 | 77% | 0.769 | 34% | 0.335 | S | S | * | . | trans | -60.9 | 51.5 | -171.8 | -32.3 | 0 | 0 | 0 | 0 | 115.3 | N37 | N37-S39 PolarHBondContact O-N 2.61Å; N37-S39 WeakPolarHBondContact OD1-CA 3.42Å; N37-S39 PolarHBondContact OD1-N 2.87Å | ||
| 40 | R | 57.7 | Low | 76.3 | Confident | 137 Ų | 137 | 60 Ų | 60 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | trans | -138.3 | 141.9 | -163.2 | -65.8 | -172.7 | 177.1 | 138.2 | -2 | 112.2 | A16 P38 T45 R48 | A16-R40 VanDerWaalsContact CB-O 3.32Å; A16-R40 WeakPolarHBondContact CB-O 3.4Å; P38-R40 PolarHBondContact O-N 3.08Å; R40-T45 PolarHBondContact O-OG1 2.95Å; R40-R48 VanDerWaalsContact CD-CZ 3.5Å | ||
| 41 | Q | 59.5 | Low | 75.9 | Confident | 142 Ų | 142 | 62.4 Ų | 62.4 | 66% | 0.664 | 33% | 0.328 | S | S | * | . | trans | -57.2 | 144.6 | -174.7 | -59.3 | 176.4 | 4.3 | 0 | 0 | 114.7 | T43 T44 T45 | Q41-T43 VanDerWaalsContact C-N 3.35Å; Q41-T43 PolarHBondContact O-N 2.85Å; Q41-T44 PolarHBondContact O-N 3.18Å; Q41-T44 PolarHBondContact O-OG1 3.41Å; Q41-T45 PolarHBondContact O-N 3.14Å | ||
| 42 | H | 61 | Low | 75.5 | Confident | 53 Ų | 53 | 65.9 Ų | 65.9 | 25% | 0.245 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -32.8 | -51 | -178 | -168 | -118.8 | 0 | 0 | 0 | 117.1 | F17 T44 T45 I46 | F17-H42 HydrophobicContact CE1-CB 4.35Å; F17-H42 HydrophobicContact CE2-CB 4.49Å; F17-H42 AromaticContact CE2-CD2 3.88Å; F17-H42 HydrophobicContact CZ-CB 3.66Å; F17-H42 AromaticContact CZ-CD2 3.71Å; F17-H42 AromaticContact CZ-CG 3.97Å; H42-T44 VanDerWaalsContact C-N 3.3Å; H42-T44 PolarHBondContact O-N 3.18Å; H42-T45 WeakPolarHBondContact O-CA 3.34Å; H42-T45 VanDerWaalsContact O-CB 3.29Å; H42-T45 WeakPolarHBondContact O-CB 3.34Å; H42-T45 PolarHBondContact O-N 2.93Å; H42-I46 PolarHBondContact O-N 3.36Å; H42-I46 VanDerWaalsContact O-N 3.12Å |
| 43 | T | 60.4 | Low | 75.2 | Confident | 31 Ų | 31 | 66.6 Ų | 66.6 | 19% | 0.19 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.2 | -31.5 | -173.5 | 47.2 | 0 | 0 | 0 | 0 | 112.8 | Q41 T45 A47 P67 K70 | Q41-T43 VanDerWaalsContact C-N 3.35Å; Q41-T43 PolarHBondContact O-N 2.85Å; T43-T45 PolarHBondContact O-N 2.87Å; T43-A47 PolarHBondContact O-N 2.72Å; T43-P67 HydrophobicContact CG2-CG 4.18Å; T43-K70 HydrophobicContact CG2-CB 4.01Å; T43-K70 HydrophobicContact CG2-CD 3.34Å; T43-K70 HydrophobicContact CG2-CG 4.31Å |
| 44 | T | 66.8 | Low | 74.8 | Confident | 53 Ų | 53 | 68.3 Ų | 68.3 | 33% | 0.325 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.1 | -26.5 | 172.9 | 73.3 | 0 | 0 | 0 | 0 | 111.4 | Q41 H42 R48 | Q41-T44 PolarHBondContact O-N 3.18Å; Q41-T44 PolarHBondContact O-OG1 3.41Å; H42-T44 VanDerWaalsContact C-N 3.3Å; H42-T44 PolarHBondContact O-N 3.18Å; T44-R48 WeakPolarHBondContact O-CB 3.22Å; T44-R48 VanDerWaalsContact O-CG 3.23Å; T44-R48 WeakPolarHBondContact O-CG 3.23Å; T44-R48 PolarHBondContact O-N 3.08Å; T44-R48 PolarHBondContact OG1-NH1 3.06Å |
| 45 | T | 72.5 | Confident | 73.8 | Confident | 28 Ų | 28 | 71.4 Ų | 71.4 | 17% | 0.172 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.3 | -46.6 | 177.7 | -48.9 | 0 | 0 | 0 | 0 | 110.8 | A16 R40 Q41 H42 T43 A47 R48 T49 | A16-T45 HydrophobicContact CB-CG2 4.36Å; R40-T45 PolarHBondContact O-OG1 2.95Å; Q41-T45 PolarHBondContact O-N 3.14Å; H42-T45 WeakPolarHBondContact O-CA 3.34Å; H42-T45 VanDerWaalsContact O-CB 3.29Å; H42-T45 WeakPolarHBondContact O-CB 3.34Å; H42-T45 PolarHBondContact O-N 2.93Å; T43-T45 PolarHBondContact O-N 2.87Å; T45-A47 PolarHBondContact O-N 2.94Å; T45-R48 PolarHBondContact O-N 3.49Å; T45-T49 PolarHBondContact O-N 3.13Å; T45-T49 PolarHBondContact O-OG1 3.32Å |
| 46 | I | 74.1 | Confident | 72.7 | Confident | 17 Ų | 17 | 79.2 Ų | 79.2 | 9% | 0.087 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 178.5 | -60.5 | 172.5 | 0 | 0 | 0 | 111.3 | H42 R48 T49 F50 I62 I72 | H42-I46 PolarHBondContact O-N 3.36Å; H42-I46 VanDerWaalsContact O-N 3.12Å; I46-R48 VanDerWaalsContact C-N 3.34Å; I46-R48 PolarHBondContact O-N 3.39Å; I46-T49 WeakPolarHBondContact O-CB 3.3Å; I46-T49 PolarHBondContact O-N 3.33Å; I46-F50 HydrophobicContact CG2-CD2 4.25Å; I46-F50 HydrophobicContact CG2-CE2 3.65Å; I46-F50 WeakPolarHBondContact O-CD2 3.47Å; I46-F50 PolarHBondContact O-N 3.31Å; I46-I62 HydrophobicContact CD1-CG2 4.47Å; I46-I62 HydrophobicContact CG2-CD1 3.93Å; I46-I62 HydrophobicContact CG2-CG1 4.07Å; I46-I72 HydrophobicContact CB-CG2 4.39Å; I46-I72 HydrophobicContact CD1-CD1 3.89Å; I46-I72 HydrophobicContact CG2-CD1 4.28Å; I46-I72 HydrophobicContact CG2-CG2 3.55Å |
| 47 | A | 73.8 | Confident | 72.3 | Confident | 24 Ų | 24 | 82.2 Ų | 82.2 | 20% | 0.198 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | T43 T45 T49 F50 E51 | T43-A47 PolarHBondContact O-N 2.72Å; T45-A47 PolarHBondContact O-N 2.94Å; A47-T49 VanDerWaalsContact C-N 3.32Å; A47-T49 PolarHBondContact O-N 3.46Å; A47-F50 WeakPolarHBondContact O-CB 3.38Å; A47-F50 PolarHBondContact O-N 3.3Å; A47-E51 PolarHBondContact O-N 3.11Å; A47-E51 VanDerWaalsContact O-N 3.16Å |
| 48 | R | 77.2 | Confident | 72.1 | Confident | 91 Ų | 91 | 80.7 Ų | 80.7 | 34% | 0.343 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.4 | -33.8 | 177.6 | -76.3 | -175.7 | -174.9 | 109.8 | 6.3 | 113.2 | R40 T44 T45 I46 F50 E51 C52 | R40-R48 VanDerWaalsContact CD-CZ 3.5Å; T44-R48 WeakPolarHBondContact O-CB 3.22Å; T44-R48 VanDerWaalsContact O-CG 3.23Å; T44-R48 WeakPolarHBondContact O-CG 3.23Å; T44-R48 PolarHBondContact O-N 3.08Å; T44-R48 PolarHBondContact OG1-NH1 3.06Å; T45-R48 PolarHBondContact O-N 3.49Å; I46-R48 VanDerWaalsContact C-N 3.34Å; I46-R48 PolarHBondContact O-N 3.39Å; R48-F50 VanDerWaalsContact C-N 3.26Å; R48-F50 PolarHBondContact O-N 3.03Å; R48-E51 PolarHBondContact O-N 3.12Å; R48-E51 VanDerWaalsContact O-N 3.11Å; R48-C52 PolarHBondContact O-N 2.86Å; R48-C52 PolarHBondContact O-SG 2.99Å |
| 49 | T | 76 | Confident | 72.3 | Confident | 57 Ų | 57 | 82.9 Ų | 82.9 | 35% | 0.35 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.5 | -38.5 | 175.1 | -56 | 0 | 0 | 0 | 0 | 111.4 | T45 I46 A47 C52 S53 | T45-T49 PolarHBondContact O-N 3.13Å; T45-T49 PolarHBondContact O-OG1 3.32Å; I46-T49 WeakPolarHBondContact O-CB 3.3Å; I46-T49 PolarHBondContact O-N 3.33Å; A47-T49 VanDerWaalsContact C-N 3.32Å; A47-T49 PolarHBondContact O-N 3.46Å; T49-C52 PolarHBondContact O-SG 2.98Å; T49-S53 PolarHBondContact O-N 2.77Å; T49-S53 PolarHBondContact O-OG 3.18Å |
| 50 | F | 75.9 | Confident | 72.7 | Confident | 15 Ų | 15 | 78.6 Ų | 78.6 | 7% | 0.066 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 173.5 | -67.6 | -66.4 | 0 | 0 | 0 | 111.5 | I46 A47 R48 S53 S60 I62 I72 P74 R78 F83 | I46-F50 HydrophobicContact CG2-CD2 4.25Å; I46-F50 HydrophobicContact CG2-CE2 3.65Å; I46-F50 WeakPolarHBondContact O-CD2 3.47Å; I46-F50 PolarHBondContact O-N 3.31Å; A47-F50 WeakPolarHBondContact O-CB 3.38Å; A47-F50 PolarHBondContact O-N 3.3Å; R48-F50 VanDerWaalsContact C-N 3.26Å; R48-F50 PolarHBondContact O-N 3.03Å; F50-S53 PolarHBondContact O-N 3.47Å; F50-S60 VanDerWaalsContact CD1-CB 3.49Å; F50-S60 VanDerWaalsContact CE1-CB 3.44Å; F50-I62 HydrophobicContact CE2-CD1 3.92Å; F50-I62 HydrophobicContact CE2-CG1 4.17Å; F50-I62 HydrophobicContact CZ-CD1 3.67Å; F50-I62 HydrophobicContact CZ-CG1 3.72Å; F50-I72 HydrophobicContact CE2-CG2 4.14Å; F50-P74 HydrophobicContact CB-CB 4.18Å; F50-P74 HydrophobicContact CD2-CB 4.24Å; F50-P74 HydrophobicContact CG-CB 4.27Å; F50-R78 PolarHBondContact O-NH1 3.24Å; F50-R78 PolarHBondContact O-NH2 2.92Å; F50-F83 AromaticContact CD1-CE1 3.99Å; F50-F83 HydrophobicContact CD1-CE1 3.99Å; F50-F83 HydrophobicContact CE1-CD1 4.21Å; F50-F83 AromaticContact CE1-CE1 3.61Å; F50-F83 HydrophobicContact CE1-CE1 3.61Å; F50-F83 HydrophobicContact CZ-CE1 4.22Å |
| 51 | E | 79.2 | Confident | 73.7 | Confident | 118 Ų | 118 | 76.2 Ų | 76.2 | 55% | 0.551 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.9 | -41.3 | -179.2 | -70.9 | 172.8 | 177.5 | 0 | 0 | 113.2 | A47 R48 S53 | A47-E51 PolarHBondContact O-N 3.11Å; A47-E51 VanDerWaalsContact O-N 3.16Å; R48-E51 PolarHBondContact O-N 3.12Å; R48-E51 VanDerWaalsContact O-N 3.11Å; E51-S53 VanDerWaalsContact C-N 3.32Å; E51-S53 PolarHBondContact O-N 3.24Å |
| 52 | C | 82.8 | Confident | 74.5 | Confident | 100 Ų | 100 | 73 Ų | 73 | 68% | 0.676 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -75.1 | -20.1 | -179.9 | 69.5 | 0 | 0 | 0 | 0 | 113.7 | R48 T49 | R48-C52 PolarHBondContact O-N 2.86Å; R48-C52 PolarHBondContact O-SG 2.99Å; T49-C52 PolarHBondContact O-SG 2.98Å |
| 53 | S | 82.5 | Confident | 75.3 | Confident | 22 Ų | 22 | 75.9 Ų | 75.9 | 15% | 0.154 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -70.1 | 140.6 | 179.8 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | T49 F50 E51 K55 S60 R78 | T49-S53 PolarHBondContact O-N 2.77Å; T49-S53 PolarHBondContact O-OG 3.18Å; F50-S53 PolarHBondContact O-N 3.47Å; E51-S53 VanDerWaalsContact C-N 3.32Å; E51-S53 PolarHBondContact O-N 3.24Å; S53-K55 PolarHBondContact O-N 3.48Å; S53-S60 WeakPolarHBondContact CB-OG 3.29Å; S53-S60 PolarHBondContact OG-OG 3.48Å; S53-R78 PolarHBondContact O-NH1 2.99Å |
| 54 | H | 81.7 | Confident | 76 | Confident | 92 Ų | 92 | 77.3 Ų | 77.3 | 43% | 0.426 | 40% | 0.398 | S | S | . | . | trans | -58.4 | 128.7 | -179.7 | -173 | -79.9 | 0 | 0 | 0 | 112.2 | R56 W57 A58 | H54-R56 PolarHBondContact ND1-N 3.41Å; H54-R56 PolarHBondContact O-N 3.33Å; H54-W57 HydrophobicContact CB-CD2 4.27Å; H54-W57 HydrophobicContact CB-CZ2 3.99Å; H54-W57 AromaticContact CD2-CE2 3.91Å; H54-W57 AromaticContact CD2-NE1 3.54Å; H54-W57 AromaticContact CE1-CD1 3.25Å; H54-W57 AromaticContact CE1-CE2 4Å; H54-W57 AromaticContact CE1-NE1 2.99Å; H54-W57 PolarHBondContact CE1-NE1 2.9Å; H54-W57 AromaticContact CG-CD1 3.8Å; H54-W57 AromaticContact CG-CE2 3.48Å; H54-W57 VanDerWaalsContact CG-CE2 3.48Å; H54-W57 AromaticContact CG-CZ2 3.86Å; H54-W57 AromaticContact CG-NE1 3.24Å; H54-W57 AromaticContact ND1-CD1 3Å; H54-W57 AromaticContact ND1-CE2 3.54Å; H54-W57 AromaticContact ND1-CG 3.7Å; H54-W57 AromaticContact ND1-NE1 2.87Å; H54-W57 PolarHBondContact ND1-NE1 3.37Å; H54-W57 AromaticContact NE2-NE1 3.4Å; H54-W57 PolarHBondContact NE2-NE1 3.32Å; H54-A58 HydrophobicContact CB-CB 3.99Å; H54-A58 VanDerWaalsContact N-CB 3.27Å; H54-A58 WeakPolarHBondContact O-CB 3.42Å; H54-A58 PolarHBondContact O-N 3.2Å | ||
| 55 | K | 71.1 | Confident | 76.4 | Confident | 145 Ų | 145 | 79.2 Ų | 79.2 | 63% | 0.63 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.2 | -164.2 | -66.7 | -178.3 | -179 | 178 | 0 | 116.5 | S53 R78 | S53-K55 PolarHBondContact O-N 3.48Å; K55-R78 WeakPolarHBondContact O-CD 3.38Å; K55-R78 WeakPolarHBondContact O-CG 3.11Å |
| 56 | R | 64.3 | Low | 76.4 | Confident | 206 Ų | 206 | 80 Ų | 80 | 78% | 0.777 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | -28.6 | -171.8 | -68.2 | -173.5 | 174.4 | -159.2 | -1.2 | 115.9 | H54 | H54-R56 PolarHBondContact ND1-N 3.41Å; H54-R56 PolarHBondContact O-N 3.33Å |
| 57 | W | 77.1 | Confident | 76.2 | Confident | 193 Ų | 193 | 82 Ų | 82 | 73% | 0.731 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.9 | -5.7 | -168.4 | 55.7 | -98.7 | 0 | 0 | 0 | 113.3 | H54 | H54-W57 HydrophobicContact CB-CD2 4.27Å; H54-W57 HydrophobicContact CB-CZ2 3.99Å; H54-W57 AromaticContact CD2-CE2 3.91Å; H54-W57 AromaticContact CD2-NE1 3.54Å; H54-W57 AromaticContact CE1-CD1 3.25Å; H54-W57 AromaticContact CE1-CE2 4Å; H54-W57 AromaticContact CE1-NE1 2.99Å; H54-W57 PolarHBondContact CE1-NE1 2.9Å; H54-W57 AromaticContact CG-CD1 3.8Å; H54-W57 AromaticContact CG-CE2 3.48Å; H54-W57 VanDerWaalsContact CG-CE2 3.48Å; H54-W57 AromaticContact CG-CZ2 3.86Å; H54-W57 AromaticContact CG-NE1 3.24Å; H54-W57 AromaticContact ND1-CD1 3Å; H54-W57 AromaticContact ND1-CE2 3.54Å; H54-W57 AromaticContact ND1-CG 3.7Å; H54-W57 AromaticContact ND1-NE1 2.87Å; H54-W57 PolarHBondContact ND1-NE1 3.37Å; H54-W57 AromaticContact NE2-NE1 3.4Å; H54-W57 PolarHBondContact NE2-NE1 3.32Å |
| 58 | A | 78.5 | Confident | 76.4 | Confident | 17 Ų | 17 | 85.9 Ų | 85.9 | 14% | 0.14 | 47% | 0.474 | C | S | . | . | trans | -75.1 | 142.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | H54 | H54-A58 HydrophobicContact CB-CB 3.99Å; H54-A58 VanDerWaalsContact N-CB 3.27Å; H54-A58 WeakPolarHBondContact O-CB 3.42Å; H54-A58 PolarHBondContact O-N 3.2Å | ||
| 59 | V | 77.9 | Confident | 76.2 | Confident | 89 Ų | 89 | 85.8 Ų | 85.8 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | trans | -107.4 | 125.6 | 169.7 | -178 | 0 | 0 | 0 | 0 | 106.8 | I61 | V59-I61 HydrophobicContact CG1-CG1 4.06Š| ||
| 60 | S | 76.3 | Confident | 75.9 | Confident | 21 Ų | 21 | 87.9 Ų | 87.9 | 15% | 0.147 | 51% | 0.506 | C | S | . | . | trans | -110.9 | 125.1 | 173.2 | -51 | 0 | 0 | 0 | 0 | 107.9 | F50 S53 | F50-S60 VanDerWaalsContact CD1-CB 3.49Å; F50-S60 VanDerWaalsContact CE1-CB 3.44Å; S53-S60 WeakPolarHBondContact CB-OG 3.29Å; S53-S60 PolarHBondContact OG-OG 3.48Å | ||
| 61 | I | 78.2 | Confident | 75.4 | Confident | 86 Ų | 86 | 95.2 Ų | 95.2 | 44% | 0.441 | 54% | 0.541 | S | S | . | . | trans | -110.7 | 122.8 | -179.1 | -54.5 | 176.7 | 0 | 0 | 0 | 107.5 | V59 L63 F88 | V59-I61 HydrophobicContact CG1-CG1 4.06Å; I61-L63 HydrophobicContact CG2-CD2 3.74Å; I61-L63 HydrophobicContact CG2-CG 4.19Å; I61-F88 HydrophobicContact CD1-CE2 4.46Å; I61-F88 HydrophobicContact CG2-CD1 4.16Å; I61-F88 HydrophobicContact CG2-CE1 4.18Å; I61-F88 HydrophobicContact CG2-CG 4.32Å; I61-F88 HydrophobicContact CG2-CZ 4.33Å | ||
| 62 | I | 78 | Confident | 74.7 | Confident | 76 Ų | 76 | 92 Ų | 92 | 39% | 0.39 | 53% | 0.527 | S | S | . | . | trans | -82.7 | 118.7 | 173.1 | -59.7 | 174.8 | 0 | 0 | 0 | 107.9 | I46 F50 I72 | I46-I62 HydrophobicContact CD1-CG2 4.47Å; I46-I62 HydrophobicContact CG2-CD1 3.93Å; I46-I62 HydrophobicContact CG2-CG1 4.07Å; F50-I62 HydrophobicContact CE2-CD1 3.92Å; F50-I62 HydrophobicContact CE2-CG1 4.17Å; F50-I62 HydrophobicContact CZ-CD1 3.67Å; F50-I62 HydrophobicContact CZ-CG1 3.72Å; I62-I72 HydrophobicContact CD1-CD1 4.27Å | ||
| 63 | L | 76.9 | Confident | 73.6 | Confident | 113 Ų | 113 | 91.4 Ų | 91.4 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | trans | -115.8 | 120.1 | 170.1 | -54.9 | -179.4 | 0 | 0 | 0 | 108 | I61 F88 | I61-L63 HydrophobicContact CG2-CD2 3.74Å; I61-L63 HydrophobicContact CG2-CG 4.19Å; L63-F88 HydrophobicContact CD1-CE1 4.32Å; L63-F88 HydrophobicContact CD2-CD1 3.19Å; L63-F88 HydrophobicContact CD2-CE1 3.16Å; L63-F88 HydrophobicContact CD2-CG 4.37Å; L63-F88 HydrophobicContact CD2-CZ 4.32Å; L63-F88 HydrophobicContact CG-CE1 4.35Å | ||
| 64 | G | 75.7 | Confident | 72.5 | Confident | 61 Ų | 61 | 92.2 Ų | 92.2 | 63% | 0.629 | 53% | 0.525 | S | S | * | . | S | Bend | trans | 126.1 | 156.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 65 | A | 74.1 | Confident | 71.1 | Confident | 92 Ų | 92 | 91.2 Ų | 91.2 | 76% | 0.76 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -88.3 | 129.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 66 | A | 72.1 | Confident | 69.9 | Low | 44 Ų | 44 | 87.1 Ų | 87.1 | 36% | 0.364 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 145.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | I72 | A66-I72 HydrophobicContact CB-CD1 4.01Š|
| 67 | P | 71.5 | Confident | 69 | Low | 60 Ų | 60 | 82 Ų | 82 | 39% | 0.39 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 142.3 | 171.2 | 28.6 | -35.5 | 0 | 0 | 0 | 109.8 | T43 G69 K70 | T43-P67 HydrophobicContact CG2-CG 4.18Å; P67-G69 PolarHBondContact O-N 3.44Å; P67-K70 HydrophobicContact CG-CB 4.14Å; P67-K70 HydrophobicContact CG-CD 3.58Å; P67-K70 HydrophobicContact CG-CG 3.89Å; P67-K70 PolarHBondContact O-N 3.44Å |
| 68 | A | 77.6 | Confident | 67.6 | Low | 105 Ų | 105 | 74.4 Ų | 74.4 | 87% | 0.868 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 136.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K70 | A68-K70 PolarHBondContact O-N 3.18Š|
| 69 | G | 71.8 | Confident | 65.9 | Low | 90 Ų | 90 | 83.6 Ų | 83.6 | 93% | 0.928 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -0.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | P67 | P67-G69 PolarHBondContact O-N 3.44Š|
| 70 | K | 69.8 | Low | 64.2 | Low | 100 Ų | 100 | 82.1 Ų | 82.1 | 44% | 0.435 | 54% | 0.541 | S | S | . | . | trans | -95.9 | 118.4 | 172.3 | -66.6 | -162.9 | -175.4 | 175.9 | 0 | 111.3 | T43 P67 A68 | T43-K70 HydrophobicContact CG2-CB 4.01Å; T43-K70 HydrophobicContact CG2-CD 3.34Å; T43-K70 HydrophobicContact CG2-CG 4.31Å; P67-K70 HydrophobicContact CG-CB 4.14Å; P67-K70 HydrophobicContact CG-CD 3.58Å; P67-K70 HydrophobicContact CG-CG 3.89Å; P67-K70 PolarHBondContact O-N 3.44Å; A68-K70 PolarHBondContact O-N 3.18Å | ||
| 71 | E | 66.6 | Low | 62.9 | Low | 169 Ų | 169 | 82.1 Ų | 82.1 | 79% | 0.79 | 54% | 0.542 | S | S | * | . | trans | -78.9 | 133.7 | 174 | -158.5 | -179.4 | 173.2 | 0 | 0 | 110.7 | V73 | E71-V73 HydrophobicContact CB-CG2 4.13Å; E71-V73 HydrophobicContact CG-CG2 3.49Å; E71-V73 VanDerWaalsContact CG-CG2 3.49Å; E71-V73 VanDerWaalsContact OE1-CG2 3.31Å; E71-V73 WeakPolarHBondContact OE1-CG2 3.48Å | ||
| 72 | I | 64.1 | Low | 61.5 | Low | 51 Ų | 51 | 81.3 Ų | 81.3 | 26% | 0.262 | 55% | 0.549 | S | S | . | . | trans | -99.2 | 86 | 173.8 | -56.7 | 165.3 | 0 | 0 | 0 | 106.2 | I46 F50 I62 A66 P74 | I46-I72 HydrophobicContact CB-CG2 4.39Å; I46-I72 HydrophobicContact CD1-CD1 3.89Å; I46-I72 HydrophobicContact CG2-CD1 4.28Å; I46-I72 HydrophobicContact CG2-CG2 3.55Å; F50-I72 HydrophobicContact CE2-CG2 4.14Å; I62-I72 HydrophobicContact CD1-CD1 4.27Å; A66-I72 HydrophobicContact CB-CD1 4.01Å; I72-P74 WeakPolarHBondContact O-CD 3.1Å | ||
| 73 | V | 59.8 | Low | 60.2 | Low | 88 Ų | 88 | 82.9 Ų | 82.9 | 53% | 0.533 | 55% | 0.553 | S | S | . | * | trans | -96.3 | 104.4 | 175.2 | -171.4 | 0 | 0 | 0 | 0 | 108.4 | E71 G75 | E71-V73 HydrophobicContact CB-CG2 4.13Å; E71-V73 HydrophobicContact CG-CG2 3.49Å; E71-V73 VanDerWaalsContact CG-CG2 3.49Å; E71-V73 VanDerWaalsContact OE1-CG2 3.31Å; E71-V73 WeakPolarHBondContact OE1-CG2 3.48Å; V73-G75 PolarHBondContact O-N 3.18Å | ||
| 74 | P | 58.8 | Low | 58.7 | Low | 38 Ų | 38 | 79.2 Ų | 79.2 | 25% | 0.247 | 54% | 0.542 | C | S | . | . | trans | -63.7 | 122.4 | 167.3 | 23.8 | -29.1 | 0 | 0 | 0 | 108.4 | F50 I72 C76 F83 | F50-P74 HydrophobicContact CB-CB 4.18Å; F50-P74 HydrophobicContact CD2-CB 4.24Å; F50-P74 HydrophobicContact CG-CB 4.27Å; I72-P74 WeakPolarHBondContact O-CD 3.1Å; P74-C76 PolarHBondContact O-N 3.16Å; P74-F83 HydrophobicContact CG-CZ 4.43Å | ||
| 75 | G | 52 | Low | 56.9 | Low | 72 Ų | 72 | 81.1 Ų | 81.1 | 74% | 0.742 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -62.3 | 7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | V73 | V73-G75 PolarHBondContact O-N 3.18Š|
| 76 | C | 45.8 | Very low | 55.4 | Low | 58 Ų | 58 | 81.9 Ų | 81.9 | 39% | 0.392 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -139.2 | 125.7 | 163.8 | 84.6 | 0 | 0 | 0 | 0 | 110.6 | P74 R78 | P74-C76 PolarHBondContact O-N 3.16Å; C76-R78 VanDerWaalsContact C-N 3.27Å; C76-R78 PolarHBondContact O-N 3.37Å; C76-R78 PolarHBondContact SG-NE 3.41Å |
| 77 | A | 46.9 | Very low | 53.9 | Low | 98 Ų | 98 | 86.8 Ų | 86.8 | 81% | 0.81 | 57% | 0.567 | S | S | * | * | trans | -62.4 | 91 | 165 | 0 | 0 | 0 | 0 | 0 | 108.7 | K79 | A77-K79 PolarHBondContact O-N 3.39Š| ||
| 78 | R | 47.6 | Very low | 53 | Low | 34 Ų | 34 | 86.8 Ų | 86.8 | 13% | 0.128 | 56% | 0.561 | C | S | . | * | trans | -82.8 | 82.3 | -170.7 | -156.1 | 175.2 | -84.4 | -171.9 | 1.2 | 109.2 | F50 S53 K55 C76 G80 A81 | F50-R78 PolarHBondContact O-NH1 3.24Å; F50-R78 PolarHBondContact O-NH2 2.92Å; S53-R78 PolarHBondContact O-NH1 2.99Å; K55-R78 WeakPolarHBondContact O-CD 3.38Å; K55-R78 WeakPolarHBondContact O-CG 3.11Å; C76-R78 VanDerWaalsContact C-N 3.27Å; C76-R78 PolarHBondContact O-N 3.37Å; C76-R78 PolarHBondContact SG-NE 3.41Å; R78-G80 PolarHBondContact O-N 2.95Å; R78-A81 HydrophobicContact CB-CB 4.41Å; R78-A81 HydrophobicContact CG-CB 4.19Å; R78-A81 PolarHBondContact O-N 3.48Å | ||
| 79 | K | 43.2 | Very low | 52 | Low | 210 Ų | 210 | 88.1 Ų | 88.1 | 91% | 0.913 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 99.2 | 173 | -67 | -178.6 | -179.9 | -179.5 | 0 | 109 | A77 | A77-K79 PolarHBondContact O-N 3.39Š|
| 80 | G | 41.8 | Very low | 51.3 | Low | 59 Ų | 59 | 88.2 Ų | 88.2 | 61% | 0.608 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 129.8 | -15.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R78 | R78-G80 PolarHBondContact O-N 2.95Š|
| 81 | A | 48.6 | Very low | 50.7 | Low | 20 Ų | 20 | 88.7 Ų | 88.7 | 17% | 0.165 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -78.6 | 124 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | R78 F83 | R78-A81 HydrophobicContact CB-CB 4.41Å; R78-A81 HydrophobicContact CG-CB 4.19Å; R78-A81 PolarHBondContact O-N 3.48Å; A81-F83 HydrophobicContact CB-CE2 4.4Å; A81-F83 WeakPolarHBondContact O-CD2 3.38Å; A81-F83 PolarHBondContact O-N 3.11Å |
| 82 | A | 48.7 | Very low | 50.5 | Low | 70 Ų | 70 | 83.5 Ų | 83.5 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | trans | -66.4 | 99 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | G84 | A82-G84 VanDerWaalsContact C-N 3.31Å; A82-G84 PolarHBondContact O-N 2.76Å | ||
| 83 | F | 50.2 | Low | 50.7 | Low | 109 Ų | 109 | 83.9 Ų | 83.9 | 48% | 0.478 | 53% | 0.529 | S | S | . | . | trans | -71.3 | 94.7 | 166.9 | -78.5 | -86.4 | 0 | 0 | 0 | 107.3 | F50 P74 A81 A85 | F50-F83 AromaticContact CD1-CE1 3.99Å; F50-F83 HydrophobicContact CD1-CE1 3.99Å; F50-F83 HydrophobicContact CE1-CD1 4.21Å; F50-F83 AromaticContact CE1-CE1 3.61Å; F50-F83 HydrophobicContact CE1-CE1 3.61Å; F50-F83 HydrophobicContact CZ-CE1 4.22Å; P74-F83 HydrophobicContact CG-CZ 4.43Å; A81-F83 HydrophobicContact CB-CE2 4.4Å; A81-F83 WeakPolarHBondContact O-CD2 3.38Å; A81-F83 PolarHBondContact O-N 3.11Å; F83-A85 PolarHBondContact O-N 3.39Å | ||
| 84 | G | 46.8 | Very low | 51.3 | Low | 35 Ų | 35 | 87.2 Ų | 87.2 | 36% | 0.361 | 54% | 0.537 | S | S | . | . | trans | -72.6 | 70.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A82 V86 | A82-G84 VanDerWaalsContact C-N 3.31Å; A82-G84 PolarHBondContact O-N 2.76Å; G84-V86 PolarHBondContact O-N 3.18Å; G84-V86 VanDerWaalsContact O-N 3.14Å | ||
| 85 | A | 38 | Very low | 51.9 | Low | 102 Ų | 102 | 90.8 Ų | 90.8 | 84% | 0.843 | 55% | 0.554 | S | S | * | * | trans | -81.6 | 63.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | F83 | F83-A85 PolarHBondContact O-N 3.39Š| ||
| 86 | V | 42 | Very low | 53.2 | Low | 107 Ų | 107 | 98.1 Ų | 98.1 | 65% | 0.648 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -104.2 | 121.2 | 171.3 | -82.2 | 0 | 0 | 0 | 0 | 106.4 | G84 F88 | G84-V86 PolarHBondContact O-N 3.18Å; G84-V86 VanDerWaalsContact O-N 3.14Å; V86-F88 VanDerWaalsContact C-N 3.27Å; V86-F88 WeakPolarHBondContact O-CA 3.4Å; V86-F88 WeakPolarHBondContact O-CB 3.49Å; V86-F88 PolarHBondContact O-N 3.43Å |
| 87 | D | 40 | Very low | 54.9 | Low | 147 Ų | 147 | 100 Ų | 100 | 79% | 0.786 | 57% | 0.565 | S | S | * | * | trans | -22 | 78.8 | -179.9 | -91.6 | -39 | 0 | 0 | 0 | 114.8 | V89 G92 | D87-V89 VanDerWaalsContact C-N 3.33Å; D87-G92 PolarHBondContact O-N 3.39Å | ||
| 88 | F | 53.7 | Low | 56.7 | Low | 60 Ų | 60 | 95.9 Ų | 95.9 | 26% | 0.263 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -97.5 | 10.9 | -171.2 | -155.8 | -92.7 | 0 | 0 | 0 | 111.1 | I61 L63 V86 L90 K91 | I61-F88 HydrophobicContact CD1-CE2 4.46Å; I61-F88 HydrophobicContact CG2-CD1 4.16Å; I61-F88 HydrophobicContact CG2-CE1 4.18Å; I61-F88 HydrophobicContact CG2-CG 4.32Å; I61-F88 HydrophobicContact CG2-CZ 4.33Å; L63-F88 HydrophobicContact CD1-CE1 4.32Å; L63-F88 HydrophobicContact CD2-CD1 3.19Å; L63-F88 HydrophobicContact CD2-CE1 3.16Å; L63-F88 HydrophobicContact CD2-CG 4.37Å; L63-F88 HydrophobicContact CD2-CZ 4.32Å; L63-F88 HydrophobicContact CG-CE1 4.35Å; V86-F88 VanDerWaalsContact C-N 3.27Å; V86-F88 WeakPolarHBondContact O-CA 3.4Å; V86-F88 WeakPolarHBondContact O-CB 3.49Å; V86-F88 PolarHBondContact O-N 3.43Å; F88-L90 PolarHBondContact O-N 3.22Å; F88-K91 HydrophobicContact CD1-CG 4.12Å; F88-K91 HydrophobicContact CD2-CB 4.13Å; F88-K91 HydrophobicContact CD2-CG 4.47Å; F88-K91 HydrophobicContact CE1-CB 4.1Å; F88-K91 HydrophobicContact CE1-CD 3.86Å; F88-K91 HydrophobicContact CE1-CG 3.4Å; F88-K91 HydrophobicContact CE2-CB 3.66Å; F88-K91 HydrophobicContact CE2-CD 4.1Å; F88-K91 HydrophobicContact CE2-CG 3.82Å; F88-K91 HydrophobicContact CZ-CB 3.68Å; F88-K91 HydrophobicContact CZ-CD 3.36Å; F88-K91 HydrophobicContact CZ-CG 3.26Å; F88-K91 PolarHBondContact O-N 3.47Å; F88-K91 VanDerWaalsContact O-N 3.08Å |
| 89 | V | 55.2 | Low | 58.5 | Low | 133 Ų | 133 | 99.6 Ų | 99.6 | 81% | 0.806 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -50.5 | -31.8 | 177.2 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | D87 | D87-V89 VanDerWaalsContact C-N 3.33Š|
| 90 | L | 57.4 | Low | 60.6 | Low | 92 Ų | 92 | 92.4 Ų | 92.4 | 48% | 0.482 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -135.3 | 37.7 | 171.1 | -66.7 | 166.7 | 0 | 0 | 0 | 113 | F88 G92 W93 N95 | F88-L90 PolarHBondContact O-N 3.22Å; L90-G92 VanDerWaalsContact C-N 3.28Å; L90-G92 PolarHBondContact O-N 3.18Å; L90-W93 WeakPolarHBondContact O-CB 3.46Å; L90-W93 PolarHBondContact O-N 3.47Å; L90-N95 WeakPolarHBondContact CD1-OD1 3.31Å |
| 91 | K | 58.3 | Low | 62.8 | Low | 110 Ų | 110 | 93.9 Ų | 93.9 | 48% | 0.478 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 32 | -176.1 | -43.7 | -153.8 | 166.1 | 177.3 | 0 | 115.8 | F88 W93 | F88-K91 HydrophobicContact CD1-CG 4.12Å; F88-K91 HydrophobicContact CD2-CB 4.13Å; F88-K91 HydrophobicContact CD2-CG 4.47Å; F88-K91 HydrophobicContact CE1-CB 4.1Å; F88-K91 HydrophobicContact CE1-CD 3.86Å; F88-K91 HydrophobicContact CE1-CG 3.4Å; F88-K91 HydrophobicContact CE2-CB 3.66Å; F88-K91 HydrophobicContact CE2-CD 4.1Å; F88-K91 HydrophobicContact CE2-CG 3.82Å; F88-K91 HydrophobicContact CZ-CB 3.68Å; F88-K91 HydrophobicContact CZ-CD 3.36Å; F88-K91 HydrophobicContact CZ-CG 3.26Å; F88-K91 PolarHBondContact O-N 3.47Å; F88-K91 VanDerWaalsContact O-N 3.08Å; K91-W93 PolarHBondContact O-N 3.21Å |
| 92 | G | 61.4 | Low | 64.6 | Low | 61 Ų | 61 | 95.9 Ų | 95.9 | 63% | 0.629 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D87 L90 K94 | D87-G92 PolarHBondContact O-N 3.39Å; L90-G92 VanDerWaalsContact C-N 3.28Å; L90-G92 PolarHBondContact O-N 3.18Å; G92-K94 PolarHBondContact O-N 2.74Å |
| 93 | W | 68.9 | Low | 66.5 | Low | 58 Ų | 58 | 96 Ų | 96 | 22% | 0.22 | 52% | 0.522 | C | S | . | . | trans | -73.8 | 123 | 173.8 | -73.4 | 66 | 0 | 0 | 0 | 110.1 | M1 L90 K91 N95 S98 L101 L102 | M1-W93 HydrophobicContact CE-CH2 3.69Å; M1-W93 HydrophobicContact CE-CZ2 3.2Å; M1-W93 HydrophobicContact SD-CH2 4.45Å; M1-W93 HydrophobicContact SD-CZ2 3.46Å; M1-W93 WeakPolarHBondContact SD-CZ2 3.49Å; L90-W93 WeakPolarHBondContact O-CB 3.46Å; L90-W93 PolarHBondContact O-N 3.47Å; K91-W93 PolarHBondContact O-N 3.21Å; W93-N95 PolarHBondContact O-N 2.9Å; W93-N95 PolarHBondContact O-OD1 3.35Å; W93-S98 WeakPolarHBondContact CA-OG 3.16Å; W93-S98 VanDerWaalsContact CB-OG 3.25Å; W93-S98 WeakPolarHBondContact CB-OG 3.14Å; W93-L101 HydrophobicContact CZ3-CB 4.21Å; W93-L102 HydrophobicContact CE3-CD1 4.49Å; W93-L102 HydrophobicContact CE3-CG 4.35Å; W93-L102 HydrophobicContact CH2-CD1 4.36Å; W93-L102 HydrophobicContact CH2-CD2 3.35Å; W93-L102 HydrophobicContact CH2-CG 3.62Å; W93-L102 HydrophobicContact CZ2-CD2 3.91Å; W93-L102 HydrophobicContact CZ2-CG 4.43Å; W93-L102 HydrophobicContact CZ3-CD1 4.2Å; W93-L102 HydrophobicContact CZ3-CD2 3.92Å; W93-L102 HydrophobicContact CZ3-CG 3.61Å | ||
| 94 | K | 71.1 | Confident | 68.4 | Low | 159 Ų | 159 | 97 Ų | 97 | 69% | 0.691 | 53% | 0.527 | S | S | * | . | trans | -69.8 | 110.3 | 171.7 | -65.7 | 179.3 | -178.3 | 177.3 | 0 | 109.3 | G92 R96 D97 S98 | G92-K94 PolarHBondContact O-N 2.74Å; K94-R96 VanDerWaalsContact C-N 3.25Å; K94-R96 PolarHBondContact O-N 3.2Å; K94-D97 PolarHBondContact O-N 3.06Å; K94-D97 VanDerWaalsContact O-N 3.14Å; K94-S98 PolarHBondContact N-OG 3.24Å; K94-S98 WeakPolarHBondContact O-CB 3.18Å; K94-S98 PolarHBondContact O-N 3.05Å; K94-S98 PolarHBondContact O-OG 2.8Å | ||
| 95 | N | 71.5 | Confident | 70.4 | Confident | 113 Ų | 113 | 98.3 Ų | 98.3 | 60% | 0.604 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -40.6 | -47.6 | -167.6 | -61.6 | 7.4 | 0 | 0 | 0 | 114.7 | L90 W93 L99 | L90-N95 WeakPolarHBondContact CD1-OD1 3.31Å; W93-N95 PolarHBondContact O-N 2.9Å; W93-N95 PolarHBondContact O-OD1 3.35Å; N95-L99 WeakPolarHBondContact O-CB 3.2Å; N95-L99 PolarHBondContact O-N 2.95Å |
| 96 | R | 80 | Confident | 72.9 | Confident | 226 Ų | 226 | 97.9 Ų | 97.9 | 85% | 0.853 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.9 | -50.7 | -174.7 | -172 | -176.3 | 178.9 | -167.9 | -0.9 | 113.3 | K94 | K94-R96 VanDerWaalsContact C-N 3.25Å; K94-R96 PolarHBondContact O-N 3.2Å |
| 97 | D | 82.1 | Confident | 75.2 | Confident | 96 Ų | 96 | 99.7 Ų | 99.7 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -74.4 | -38 | -174 | -56.7 | -31.1 | 0 | 0 | 0 | 110.6 | K94 S100 | K94-D97 PolarHBondContact O-N 3.06Å; K94-D97 VanDerWaalsContact O-N 3.14Å; D97-S100 PolarHBondContact O-OG 3.48Å |
| 98 | S | 83.9 | Confident | 77.7 | Confident | 13 Ų | 13 | 100.7 Ų | 100.7 | 9% | 0.091 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -67.4 | -41.8 | -174.4 | -66.8 | 0 | 0 | 0 | 0 | 114.3 | W93 K94 S100 L101 L102 | W93-S98 WeakPolarHBondContact CA-OG 3.16Å; W93-S98 VanDerWaalsContact CB-OG 3.25Å; W93-S98 WeakPolarHBondContact CB-OG 3.14Å; K94-S98 PolarHBondContact N-OG 3.24Å; K94-S98 WeakPolarHBondContact O-CB 3.18Å; K94-S98 PolarHBondContact O-N 3.05Å; K94-S98 PolarHBondContact O-OG 2.8Å; S98-S100 VanDerWaalsContact C-N 3.3Å; S98-S100 PolarHBondContact O-N 2.93Å; S98-L101 WeakPolarHBondContact O-CB 3.4Å; S98-L101 PolarHBondContact O-N 3.2Å; S98-L101 VanDerWaalsContact O-N 3.13Å; S98-L102 PolarHBondContact O-N 2.77Å |
| 99 | L | 85.9 | Confident | 79.2 | Confident | 111 Ų | 111 | 106.4 Ų | 106.4 | 58% | 0.581 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.7 | -40 | -177.6 | -175.9 | 62.2 | 0 | 0 | 0 | 111.5 | N95 L101 L102 V103 | N95-L99 WeakPolarHBondContact O-CB 3.2Å; N95-L99 PolarHBondContact O-N 2.95Å; L99-L101 VanDerWaalsContact C-N 3.25Å; L99-L101 PolarHBondContact O-N 2.76Å; L99-L102 PolarHBondContact O-N 2.72Å; L99-V103 WeakPolarHBondContact O-CG2 3.35Å; L99-V103 PolarHBondContact O-N 3.3Å |
| 100 | S | 87 | Confident | 80.7 | Confident | 59 Ų | 59 | 103 Ų | 103 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -32.2 | 177.6 | 77 | 0 | 0 | 0 | 0 | 112.7 | D97 S98 K104 | D97-S100 PolarHBondContact O-OG 3.48Å; S98-S100 VanDerWaalsContact C-N 3.3Å; S98-S100 PolarHBondContact O-N 2.93Å; S100-K104 VanDerWaalsContact O-CG 3.28Å; S100-K104 WeakPolarHBondContact O-CG 3.5Å; S100-K104 PolarHBondContact O-N 3.4Å |
| 101 | L | 87.6 | Confident | 81.9 | Confident | 90 Ų | 90 | 101 Ų | 101 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.5 | -42.9 | 176 | -66 | 170.9 | 0 | 0 | 0 | 111.2 | W93 S98 L99 K104 Q105 | W93-L101 HydrophobicContact CZ3-CB 4.21Å; S98-L101 WeakPolarHBondContact O-CB 3.4Å; S98-L101 PolarHBondContact O-N 3.2Å; S98-L101 VanDerWaalsContact O-N 3.13Å; L99-L101 VanDerWaalsContact C-N 3.25Å; L99-L101 PolarHBondContact O-N 2.76Å; L101-K104 PolarHBondContact O-N 2.97Å; L101-Q105 WeakPolarHBondContact O-CG 3.2Å; L101-Q105 PolarHBondContact O-N 3.3Å |
| 102 | L | 87 | Confident | 83.1 | Confident | 63 Ų | 63 | 102 Ų | 102 | 33% | 0.33 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 175.6 | -73.4 | 168.1 | 0 | 0 | 0 | 111.7 | W93 S98 L99 K104 Q105 Y106 L111 | W93-L102 HydrophobicContact CE3-CD1 4.49Å; W93-L102 HydrophobicContact CE3-CG 4.35Å; W93-L102 HydrophobicContact CH2-CD1 4.36Å; W93-L102 HydrophobicContact CH2-CD2 3.35Å; W93-L102 HydrophobicContact CH2-CG 3.62Å; W93-L102 HydrophobicContact CZ2-CD2 3.91Å; W93-L102 HydrophobicContact CZ2-CG 4.43Å; W93-L102 HydrophobicContact CZ3-CD1 4.2Å; W93-L102 HydrophobicContact CZ3-CD2 3.92Å; W93-L102 HydrophobicContact CZ3-CG 3.61Å; S98-L102 PolarHBondContact O-N 2.77Å; L99-L102 PolarHBondContact O-N 2.72Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 2.88Å; L102-Q105 WeakPolarHBondContact O-CB 3.43Å; L102-Q105 PolarHBondContact O-N 3.39Å; L102-Q105 VanDerWaalsContact O-N 3.14Å; L102-Y106 PolarHBondContact O-N 3.07Å; L102-L111 HydrophobicContact CD2-CD1 3.92Å |
| 103 | V | 88.8 | Confident | 84.3 | Confident | 71 Ų | 71 | 100.8 Ų | 100.8 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.3 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | L99 Q105 Y106 M107 | L99-V103 WeakPolarHBondContact O-CG2 3.35Å; L99-V103 PolarHBondContact O-N 3.3Å; V103-Q105 VanDerWaalsContact C-N 3.34Å; V103-Q105 PolarHBondContact O-N 2.79Å; V103-Y106 PolarHBondContact O-N 2.6Å; V103-M107 HydrophobicContact CG1-CG 4.34Å; V103-M107 WeakPolarHBondContact O-CB 3.37Å; V103-M107 WeakPolarHBondContact O-CG 3.09Å; V103-M107 PolarHBondContact O-N 3.37Å |
| 104 | K | 90.7 | Very high | 85.1 | Confident | 130 Ų | 130 | 102.9 Ų | 102.9 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.3 | -36.3 | 174.6 | -75.6 | 172.9 | -177.6 | 176.7 | 0 | 112.7 | S100 L101 L102 K108 | S100-K104 VanDerWaalsContact O-CG 3.28Å; S100-K104 WeakPolarHBondContact O-CG 3.5Å; S100-K104 PolarHBondContact O-N 3.4Å; L101-K104 PolarHBondContact O-N 2.97Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 2.88Å; K104-K108 WeakPolarHBondContact O-CB 3.46Å; K104-K108 WeakPolarHBondContact O-CG 3.21Å; K104-K108 PolarHBondContact O-N 3.14Å; K104-K108 VanDerWaalsContact O-N 3.08Å |
| 105 | Q | 88.1 | Confident | 85.8 | Confident | 64 Ų | 64 | 96.3 Ų | 96.3 | 30% | 0.299 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 176.2 | -75.3 | 175.8 | -28.9 | 0 | 0 | 111.3 | L101 L102 V103 K108 E109 A110 L111 | L101-Q105 WeakPolarHBondContact O-CG 3.2Å; L101-Q105 PolarHBondContact O-N 3.3Å; L102-Q105 WeakPolarHBondContact O-CB 3.43Å; L102-Q105 PolarHBondContact O-N 3.39Å; L102-Q105 VanDerWaalsContact O-N 3.14Å; V103-Q105 VanDerWaalsContact C-N 3.34Å; V103-Q105 PolarHBondContact O-N 2.79Å; Q105-K108 CarbonylContact O-C 3.57Å; Q105-K108 PolarHBondContact O-N 3.18Å; Q105-E109 PolarHBondContact O-N 3.42Å; Q105-A110 HydrophobicContact CB-CB 4.44Å; Q105-A110 WeakPolarHBondContact O-CB 3.45Å; Q105-A110 PolarHBondContact O-N 2.86Å; Q105-L111 HydrophobicContact CB-CD1 3.58Å; Q105-L111 HydrophobicContact CB-CG 3.92Å |
| 106 | Y | 89.7 | Confident | 86.5 | Confident | 93 Ų | 93 | 97.5 Ų | 97.5 | 37% | 0.365 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 173.2 | 176.3 | -108 | 0 | 0 | 0 | 111.9 | L102 V103 K108 E109 A113 D114 | L102-Y106 PolarHBondContact O-N 3.07Å; V103-Y106 PolarHBondContact O-N 2.6Å; Y106-K108 PolarHBondContact O-N 2.86Å; Y106-E109 WeakPolarHBondContact O-CA 3.37Å; Y106-E109 PolarHBondContact O-N 3.47Å; Y106-A113 HydrophobicContact CD2-CB 3.61Å; Y106-A113 HydrophobicContact CE2-CB 3.52Å; Y106-D114 PolarHBondContact OH-OD1 2.97Å |
| 107 | M | 91.6 | Very high | 86.9 | Confident | 145 Ų | 145 | 92.9 Ų | 92.9 | 71% | 0.714 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.8 | -22.1 | 176.2 | -69.4 | -72.3 | -166.4 | 0 | 0 | 113.8 | V103 E109 | V103-M107 HydrophobicContact CG1-CG 4.34Å; V103-M107 WeakPolarHBondContact O-CB 3.37Å; V103-M107 WeakPolarHBondContact O-CG 3.09Å; V103-M107 PolarHBondContact O-N 3.37Å; M107-E109 VanDerWaalsContact C-N 3.29Å |
| 108 | K | 91.8 | Very high | 87.1 | Confident | 167 Ų | 167 | 91.9 Ų | 91.9 | 73% | 0.726 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 7.7 | 173.9 | -75.1 | 177.7 | 177.9 | -169.6 | 0 | 112.7 | K104 Q105 Y106 A110 | K104-K108 WeakPolarHBondContact O-CB 3.46Å; K104-K108 WeakPolarHBondContact O-CG 3.21Å; K104-K108 PolarHBondContact O-N 3.14Å; K104-K108 VanDerWaalsContact O-N 3.08Å; Q105-K108 CarbonylContact O-C 3.57Å; Q105-K108 PolarHBondContact O-N 3.18Å; Y106-K108 PolarHBondContact O-N 2.86Å; K108-A110 PolarHBondContact O-N 3.18Å |
| 109 | E | 85.7 | Confident | 87.3 | Confident | 180 Ų | 180 | 93 Ų | 93 | 84% | 0.841 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 18.3 | -175.9 | -57.6 | 176.4 | 177.3 | 0 | 0 | 113.4 | Q105 Y106 M107 L111 | Q105-E109 PolarHBondContact O-N 3.42Å; Y106-E109 WeakPolarHBondContact O-CA 3.37Å; Y106-E109 PolarHBondContact O-N 3.47Å; M107-E109 VanDerWaalsContact C-N 3.29Å; E109-L111 VanDerWaalsContact C-N 3.27Å; E109-L111 PolarHBondContact O-N 3.23Å |
| 110 | A | 85.3 | Confident | 87.6 | Confident | 63 Ų | 63 | 96.4 Ų | 96.4 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | trans | -81.9 | -7.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q105 K108 | Q105-A110 HydrophobicContact CB-CB 4.44Å; Q105-A110 WeakPolarHBondContact O-CB 3.45Å; Q105-A110 PolarHBondContact O-N 2.86Å; K108-A110 PolarHBondContact O-N 3.18Å | ||
| 111 | L | 83.2 | Confident | 87.9 | Confident | 49 Ų | 49 | 98.8 Ų | 98.8 | 26% | 0.257 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -128.5 | 117.4 | 176.6 | -70.2 | 171.1 | 0 | 0 | 0 | 109 | L102 Q105 E109 A113 | L102-L111 HydrophobicContact CD2-CD1 3.92Å; Q105-L111 HydrophobicContact CB-CD1 3.58Å; Q105-L111 HydrophobicContact CB-CG 3.92Å; E109-L111 VanDerWaalsContact C-N 3.27Å; E109-L111 PolarHBondContact O-N 3.23Å; L111-A113 PolarHBondContact O-N 3.08Å |
| 112 | E | 84 | Confident | 88.2 | Confident | 131 Ų | 131 | 100.2 Ų | 100.2 | 61% | 0.612 | 50% | 0.501 | S | S | * | . | trans | -77.6 | 63.2 | 175.7 | -61.9 | -171.3 | 150 | 0 | 0 | 111.5 | D114 A115 F116 | E112-D114 PolarHBondContact O-N 3.22Å; E112-A115 HydrophobicContact CB-CB 4.45Å; E112-A115 PolarHBondContact O-N 2.99Å; E112-F116 WeakPolarHBondContact O-CD2 3.47Å; E112-F116 WeakPolarHBondContact O-CE2 3.35Å | ||
| 113 | A | 86 | Confident | 88.6 | Confident | 35 Ų | 35 | 104.4 Ų | 104.4 | 29% | 0.289 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -65.4 | -30.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y106 L111 A115 F116 | Y106-A113 HydrophobicContact CD2-CB 3.61Å; Y106-A113 HydrophobicContact CE2-CB 3.52Å; L111-A113 PolarHBondContact O-N 3.08Å; A113-A115 PolarHBondContact O-N 2.81Å; A113-F116 PolarHBondContact O-N 3.08Å; A113-F116 VanDerWaalsContact O-N 3.08Å |
| 114 | D | 86.8 | Confident | 88.9 | Confident | 103 Ų | 103 | 109.8 Ų | 109.8 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -63.7 | -29.4 | -176.3 | -70 | -33.3 | 0 | 0 | 0 | 113.5 | Y106 E112 F116 F117 | Y106-D114 PolarHBondContact OH-OD1 2.97Å; E112-D114 PolarHBondContact O-N 3.22Å; D114-F116 PolarHBondContact O-N 2.92Å; D114-F117 HydrophobicContact CB-CD2 4.41Å; D114-F117 PolarHBondContact O-N 2.65Å; D114-F117 WeakPolarHBondContact OD1-CE2 3.33Å |
| 115 | A | 85.6 | Confident | 89 | Confident | 20 Ų | 20 | 105.9 Ų | 105.9 | 17% | 0.165 | 52% | 0.52 | C | S | . | . | G | 310 helix | trans | -64.8 | -21.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R26 F30 E112 A113 | R26-A115 PolarHBondContact NH1-O 3.14Å; R26-A115 PolarHBondContact NH2-O 2.95Å; R26-A115 VanDerWaalsContact NH2-O 3.1Å; F30-A115 HydrophobicContact CE1-CB 4.03Å; F30-A115 HydrophobicContact CZ-CB 3.54Å; E112-A115 HydrophobicContact CB-CB 4.45Å; E112-A115 PolarHBondContact O-N 2.99Å; A113-A115 PolarHBondContact O-N 2.81Å |
| 116 | F | 85.9 | Confident | 89.3 | Confident | 139 Ų | 139 | 107.7 Ų | 107.7 | 61% | 0.61 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -86.4 | -12.4 | 179 | -61 | -79.4 | 0 | 0 | 0 | 113.8 | F30 E112 A113 D114 T118 | F30-F116 HydrophobicContact CE1-CE2 4.39Å; F30-F116 HydrophobicContact CE1-CZ 4.06Å; F30-F116 HydrophobicContact CE2-CE1 4.08Å; F30-F116 HydrophobicContact CE2-CZ 4.26Å; F30-F116 AromaticContact CZ-CE1 4Å; F30-F116 HydrophobicContact CZ-CE1 4Å; F30-F116 HydrophobicContact CZ-CE2 4.21Å; F30-F116 AromaticContact CZ-CZ 3.79Å; F30-F116 HydrophobicContact CZ-CZ 3.79Å; E112-F116 WeakPolarHBondContact O-CD2 3.47Å; E112-F116 WeakPolarHBondContact O-CE2 3.35Å; A113-F116 PolarHBondContact O-N 3.08Å; A113-F116 VanDerWaalsContact O-N 3.08Å; D114-F116 PolarHBondContact O-N 2.92Å; F116-T118 PolarHBondContact O-N 3.29Å |
| 117 | F | 88.8 | Confident | 89.5 | Confident | 128 Ų | 128 | 107.6 Ų | 107.6 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | trans | -74.3 | 121.2 | 174.8 | -61.9 | -60.7 | 0 | 0 | 0 | 110.2 | D114 | D114-F117 HydrophobicContact CB-CD2 4.41Å; D114-F117 PolarHBondContact O-N 2.65Å; D114-F117 WeakPolarHBondContact OD1-CE2 3.33Å | ||
| 118 | T | 86.7 | Confident | 89.5 | Confident | 76 Ų | 76 | 106.1 Ų | 106.1 | 47% | 0.466 | 53% | 0.534 | S | S | . | . | trans | -114.1 | -10.2 | 178.6 | 62.9 | 0 | 0 | 0 | 0 | 114 | F22 F116 R136 | F22-T118 HydrophobicContact CE1-CG2 4.42Å; F22-T118 HydrophobicContact CZ-CG2 4.38Å; F116-T118 PolarHBondContact O-N 3.29Å; T118-R136 PolarHBondContact OG1-NH1 3.04Å | ||
| 119 | G | 87.1 | Confident | 89.5 | Confident | 36 Ų | 36 | 99.6 Ų | 99.6 | 37% | 0.371 | 51% | 0.511 | S | S | . | . | trans | -167 | 153.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 120 | Q | 92.5 | Very high | 89.7 | Confident | 183 Ų | 183 | 94 Ų | 94 | 86% | 0.855 | 49% | 0.489 | S | S | * | . | trans | -121 | 127.8 | 172.1 | -68.8 | -177.8 | -6.7 | 0 | 0 | 107.5 | ||||
| 121 | Y | 92.8 | Very high | 90 | Very high | 108 Ų | 108 | 95.6 Ų | 95.6 | 42% | 0.424 | 49% | 0.489 | S | S | . | . | trans | -130.4 | 144.9 | -176.9 | -60.2 | -83.8 | 0 | 0 | 0 | 108.7 | E125 A129 | Y121-E125 HydrophobicContact CD1-CB 4.49Å; Y121-A129 HydrophobicContact CD1-CB 4.26Å; Y121-A129 HydrophobicContact CD2-CB 3.6Å; Y121-A129 HydrophobicContact CE2-CB 4.02Å; Y121-A129 HydrophobicContact CG-CB 3.73Å | ||
| 122 | Q | 94.3 | Very high | 90.3 | Very high | 120 Ų | 120 | 94.5 Ų | 94.5 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | trans | -76.6 | 158 | 170.5 | -63.5 | -67.6 | 5.4 | 0 | 0 | 110.5 | Y124 E125 | Q122-Y124 HydrophobicContact CB-CD1 3.59Å; Q122-Y124 HydrophobicContact CB-CE1 3.14Å; Q122-Y124 HydrophobicContact CB-CE2 4.36Å; Q122-Y124 HydrophobicContact CB-CG 4.34Å; Q122-Y124 HydrophobicContact CG-CD1 4.5Å; Q122-Y124 HydrophobicContact CG-CE1 3.62Å; Q122-Y124 PolarHBondContact O-N 3.49Å; Q122-Y124 VanDerWaalsContact O-N 3.09Å; Q122-E125 HydrophobicContact CB-CG 4.39Å; Q122-E125 PolarHBondContact N-OE2 2.87Å; Q122-E125 WeakPolarHBondContact O-CB 3.37Å; Q122-E125 PolarHBondContact O-N 3.33Å | ||
| 123 | L | 94.4 | Very high | 90.4 | Very high | 152 Ų | 152 | 93.6 Ų | 93.6 | 80% | 0.796 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -56.9 | -31.6 | -176.7 | -176.6 | 61.6 | 0 | 0 | 0 | 113.1 | E125 | L123-E125 PolarHBondContact O-N 2.97Š|
| 124 | Y | 95.1 | Very high | 90.4 | Very high | 184 Ų | 184 | 95.6 Ų | 95.6 | 72% | 0.722 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -72.9 | -13.2 | 177.4 | 63.7 | -97 | 0 | 0 | 0 | 113.6 | Q122 | Q122-Y124 HydrophobicContact CB-CD1 3.59Å; Q122-Y124 HydrophobicContact CB-CE1 3.14Å; Q122-Y124 HydrophobicContact CB-CE2 4.36Å; Q122-Y124 HydrophobicContact CB-CG 4.34Å; Q122-Y124 HydrophobicContact CG-CD1 4.5Å; Q122-Y124 HydrophobicContact CG-CE1 3.62Å; Q122-Y124 PolarHBondContact O-N 3.49Å; Q122-Y124 VanDerWaalsContact O-N 3.09Å |
| 125 | E | 93.6 | Very high | 90.2 | Very high | 48 Ų | 48 | 97.7 Ų | 97.7 | 22% | 0.224 | 49% | 0.494 | C | S | . | . | G | 310 helix | trans | -99.2 | 13.1 | -178.7 | -55.5 | 172.7 | 144.3 | 0 | 0 | 111.9 | Y121 Q122 L123 C127 Q128 A129 | Y121-E125 HydrophobicContact CD1-CB 4.49Å; Q122-E125 HydrophobicContact CB-CG 4.39Å; Q122-E125 PolarHBondContact N-OE2 2.87Å; Q122-E125 WeakPolarHBondContact O-CB 3.37Å; Q122-E125 PolarHBondContact O-N 3.33Å; L123-E125 PolarHBondContact O-N 2.97Å; E125-C127 PolarHBondContact O-N 3.22Å; E125-C127 VanDerWaalsContact O-N 3.11Å; E125-Q128 WeakPolarHBondContact O-CA 3.22Å; E125-Q128 WeakPolarHBondContact O-CB 3.25Å; E125-Q128 PolarHBondContact O-N 3.35Å; E125-A129 PolarHBondContact O-N 3.02Å |
| 126 | I | 93.8 | Very high | 89.2 | Confident | 101 Ų | 101 | 102.4 Ų | 102.4 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -51.7 | -38.7 | -175.2 | -171.1 | 169.5 | 0 | 0 | 0 | 113.6 | A129 V130 | I126-A129 PolarHBondContact O-N 3.22Å; I126-V130 WeakPolarHBondContact O-CG2 2.94Å; I126-V130 PolarHBondContact O-N 2.99Å |
| 127 | C | 93.8 | Very high | 88.1 | Confident | 91 Ų | 91 | 100 Ų | 100 | 62% | 0.615 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 177.2 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | E125 A129 V130 D131 | E125-C127 PolarHBondContact O-N 3.22Å; E125-C127 VanDerWaalsContact O-N 3.11Å; C127-A129 VanDerWaalsContact C-N 3.31Å; C127-A129 PolarHBondContact O-N 3.22Å; C127-V130 PolarHBondContact O-N 3.02Å; C127-D131 WeakPolarHBondContact O-CB 3.33Å; C127-D131 VanDerWaalsContact O-CG 3.31Å; C127-D131 PolarHBondContact O-N 3.13Å |
| 128 | Q | 92 | Very high | 86.1 | Confident | 115 Ų | 115 | 106.5 Ų | 106.5 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 176.6 | -61.9 | 176.3 | -7.2 | 0 | 0 | 111.2 | E125 D131 A132 | E125-Q128 WeakPolarHBondContact O-CA 3.22Å; E125-Q128 WeakPolarHBondContact O-CB 3.25Å; E125-Q128 PolarHBondContact O-N 3.35Å; Q128-D131 PolarHBondContact O-N 3.37Å; Q128-A132 VanDerWaalsContact O-CB 3.32Å; Q128-A132 WeakPolarHBondContact O-CB 3.42Å; Q128-A132 PolarHBondContact O-N 2.86Å |
| 129 | A | 91.3 | Very high | 86 | Confident | 29 Ų | 29 | 108 Ų | 108 | 24% | 0.24 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y121 E125 I126 C127 M133 | Y121-A129 HydrophobicContact CD1-CB 4.26Å; Y121-A129 HydrophobicContact CD2-CB 3.6Å; Y121-A129 HydrophobicContact CE2-CB 4.02Å; Y121-A129 HydrophobicContact CG-CB 3.73Å; E125-A129 PolarHBondContact O-N 3.02Å; I126-A129 PolarHBondContact O-N 3.22Å; C127-A129 VanDerWaalsContact C-N 3.31Å; C127-A129 PolarHBondContact O-N 3.22Å; A129-M133 PolarHBondContact O-N 3.29Å; A129-M133 VanDerWaalsContact O-N 3.15Å |
| 130 | V | 91.8 | Very high | 86 | Confident | 63 Ų | 63 | 111.8 Ų | 111.8 | 38% | 0.382 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 175.4 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | I126 C127 M133 H134 | I126-V130 WeakPolarHBondContact O-CG2 2.94Å; I126-V130 PolarHBondContact O-N 2.99Å; C127-V130 PolarHBondContact O-N 3.02Å; V130-M133 WeakPolarHBondContact O-CB 3.04Å; V130-M133 PolarHBondContact O-N 3.26Å; V130-H134 VanDerWaalsContact CG1-CE1 3.44Å; V130-H134 WeakPolarHBondContact CG1-CE1 3.46Å; V130-H134 PolarHBondContact O-N 3.34Å; V130-H134 PolarHBondContact O-ND1 2.88Å |
| 131 | D | 91.8 | Very high | 85.6 | Confident | 97 Ų | 97 | 107.8 Ų | 107.8 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 175.8 | -72.8 | -29.1 | 0 | 0 | 0 | 111.5 | C127 Q128 M133 H134 E135 | C127-D131 WeakPolarHBondContact O-CB 3.33Å; C127-D131 VanDerWaalsContact O-CG 3.31Å; C127-D131 PolarHBondContact O-N 3.13Å; Q128-D131 PolarHBondContact O-N 3.37Å; D131-M133 VanDerWaalsContact C-N 3.27Å; D131-M133 PolarHBondContact O-N 3.33Å; D131-H134 PolarHBondContact O-N 2.94Å; D131-H134 VanDerWaalsContact O-N 3.11Å; D131-E135 WeakPolarHBondContact O-CB 3.45Å; D131-E135 PolarHBondContact O-N 3.46Å |
| 132 | A | 87.9 | Confident | 85.2 | Confident | 26 Ų | 26 | 107.8 Ų | 107.8 | 22% | 0.215 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -61.2 | -34.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q128 | Q128-A132 VanDerWaalsContact O-CB 3.32Å; Q128-A132 WeakPolarHBondContact O-CB 3.42Å; Q128-A132 PolarHBondContact O-N 2.86Å |
| 133 | M | 86.5 | Confident | 84.6 | Confident | 112 Ų | 112 | 107.1 Ų | 107.1 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.6 | -41.6 | 173.2 | -173.3 | -172 | 71.6 | 0 | 0 | 111.6 | A129 V130 D131 | A129-M133 PolarHBondContact O-N 3.29Å; A129-M133 VanDerWaalsContact O-N 3.15Å; V130-M133 WeakPolarHBondContact O-CB 3.04Å; V130-M133 PolarHBondContact O-N 3.26Å; D131-M133 VanDerWaalsContact C-N 3.27Å; D131-M133 PolarHBondContact O-N 3.33Å |
| 134 | H | 85.7 | Confident | 84 | Confident | 76 Ų | 76 | 104.1 Ų | 104.1 | 35% | 0.352 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.5 | -33.8 | 179.5 | -70.5 | 137.8 | 0 | 0 | 0 | 113.8 | V130 D131 R136 I137 R138 | V130-H134 VanDerWaalsContact CG1-CE1 3.44Å; V130-H134 WeakPolarHBondContact CG1-CE1 3.46Å; V130-H134 PolarHBondContact O-N 3.34Å; V130-H134 PolarHBondContact O-ND1 2.88Å; D131-H134 PolarHBondContact O-N 2.94Å; D131-H134 VanDerWaalsContact O-N 3.11Å; H134-R136 PolarHBondContact O-N 2.93Å; H134-I137 PolarHBondContact O-N 3.14Å; H134-R138 PolarHBondContact O-N 2.97Å |
| 135 | E | 82.2 | Confident | 83.2 | Confident | 148 Ų | 148 | 98.4 Ų | 98.4 | 69% | 0.692 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.9 | -35.9 | 177.8 | -174.9 | 175.4 | -162.8 | 0 | 0 | 110.9 | D131 I137 R138 | D131-E135 WeakPolarHBondContact O-CB 3.45Å; D131-E135 PolarHBondContact O-N 3.46Å; E135-I137 PolarHBondContact O-N 2.74Å; E135-R138 PolarHBondContact O-N 3.04Å |
| 136 | R | 66.1 | Low | 82.4 | Confident | 118 Ų | 118 | 102.2 Ų | 102.2 | 45% | 0.445 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -23.1 | 174.5 | -68.6 | -174.3 | 179.8 | 159.8 | 6.1 | 113.5 | T18 T118 H134 | T18-R136 WeakPolarHBondContact CG2-O 3.28Å; T118-R136 PolarHBondContact OG1-NH1 3.04Å; H134-R136 PolarHBondContact O-N 2.93Å |
| 137 | I | 62 | Low | 81.4 | Confident | 90 Ų | 90 | 102.3 Ų | 102.3 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -12.6 | -176.1 | -60.1 | 171.6 | 0 | 0 | 0 | 112.3 | H134 E135 | H134-I137 PolarHBondContact O-N 3.14Å; E135-I137 PolarHBondContact O-N 2.74Å |
| 138 | R | 46.2 | Very low | 80.3 | Confident | 263 Ų | 263 | 103.4 Ų | 103.4 | 99% | 0.992 | 49% | 0.49 | S | S | * | . | trans | -92 | 0 | -177.9 | -70.3 | -176.6 | -177 | 162.7 | 4.5 | 112.5 | H134 E135 | H134-R138 PolarHBondContact O-N 2.97Å; E135-R138 PolarHBondContact O-N 3.04Å |
Retrieved 138 of 138 residues in 36.1 ms
(Link to these results)