| 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 | 59.7 | Low | 84.5 | Confident | 188 Ų | 188 | 95.1 Ų | 95.1 | 93% | 0.926 | 47% | 0.469 | S | S | * | . | 0 | 116.4 | 0 | -176.4 | 173.2 | 172 | 0 | 0 | 107.2 | F43 Y50 | M1-F43 HydrophobicContact CE-CB 4.37Å; M1-Y50 HydrophobicContact CE-CE1 4.35Å | |||
| 2 | T | 77.3 | Confident | 84.7 | Confident | 90 Ų | 90 | 88.3 Ų | 88.3 | 55% | 0.552 | 44% | 0.437 | S | S | * | . | trans | -72.7 | 132.2 | -179.2 | -50.2 | 0 | 0 | 0 | 0 | 109.3 | L4 | T2-L4 HydrophobicContact CG2-CD2 3.92Š| ||
| 3 | R | 83.9 | Confident | 83.6 | Confident | 209 Ų | 209 | 93.6 Ų | 93.6 | 79% | 0.789 | 46% | 0.46 | S | S | * | . | trans | -90.1 | 124.5 | 177.5 | -174.5 | 177.3 | -177.1 | 120.2 | 1.1 | 109 | ||||
| 4 | L | 88.2 | Confident | 82.2 | Confident | 43 Ų | 43 | 94.8 Ų | 94.8 | 23% | 0.225 | 48% | 0.482 | C | S | . | . | trans | -120.3 | 150.6 | -179.7 | -51.3 | 177.7 | 0 | 0 | 0 | 109.6 | T2 V24 G25 Q26 L42 Y71 | T2-L4 HydrophobicContact CG2-CD2 3.92Å; L4-V24 HydrophobicContact CB-CG1 3.52Å; L4-V24 HydrophobicContact CD1-CG1 3.84Å; L4-V24 HydrophobicContact CG-CG1 4.22Å; L4-G25 WeakPolarHBondContact CA-O 3.23Å; L4-Q26 HydrophobicContact CD2-CG 3.47Å; L4-Q26 VanDerWaalsContact CD2-CG 3.47Å; L4-L42 HydrophobicContact CB-CD1 4.24Å; L4-L42 HydrophobicContact CD1-CD1 3.89Å; L4-Y71 HydrophobicContact CD1-CE2 4.47Å; L4-Y71 WeakPolarHBondContact CD1-OH 3.29Å | ||
| 5 | D | 90.5 | Very high | 80.5 | Confident | 48 Ų | 48 | 100.7 Ų | 100.7 | 26% | 0.257 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 136.8 | 175.4 | -72 | -18 | 0 | 0 | 0 | 109.9 | L7 V24 G25 H27 | D5-L7 HydrophobicContact CB-CD2 4.38Å; D5-L7 PolarHBondContact O-N 2.72Å; D5-V24 CarbonylContact O-C 3.59Å; D5-V24 VanDerWaalsContact O-CA 3.32Å; D5-V24 WeakPolarHBondContact O-CA 2.84Å; D5-G25 PolarHBondContact N-O 2.95Å; D5-G25 PolarHBondContact O-N 3.16Å; D5-H27 WeakPolarHBondContact OD2-CB 3.37Å; D5-H27 IonicContact OD2-CE1 3.61Å; D5-H27 IonicContact OD2-CG 3.69Å; D5-H27 IonicContact OD2-ND1 2.72Å; D5-H27 PolarHBondContact OD2-ND1 3.43Å |
| 6 | I | 91.8 | Very high | 79.2 | Confident | 91 Ų | 91 | 96.3 Ų | 96.3 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 120.8 | 168.9 | -60.2 | 175.1 | 0 | 0 | 0 | 107.3 | L22 L42 L53 | I6-L22 HydrophobicContact CG2-CD2 4.3Å; I6-L42 HydrophobicContact CG1-CD2 4.36Å; I6-L53 HydrophobicContact CD1-CD1 3.84Å |
| 7 | L | 90.7 | Very high | 78.8 | Confident | 49 Ų | 49 | 98.1 Ų | 98.1 | 26% | 0.257 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 166.4 | 178.1 | -53.6 | -177.1 | 0 | 0 | 0 | 110.4 | D5 F11 C23 P68 | D5-L7 HydrophobicContact CB-CD2 4.38Å; D5-L7 PolarHBondContact O-N 2.72Å; L7-F11 HydrophobicContact CB-CB 4.09Å; L7-F11 HydrophobicContact CB-CD2 3.83Å; L7-F11 HydrophobicContact CB-CG 4.11Å; L7-F11 HydrophobicContact CD1-CB 3.87Å; L7-F11 HydrophobicContact CD1-CD1 4.44Å; L7-F11 HydrophobicContact CD1-CG 4.04Å; L7-C23 HydrophobicContact CB-CB 4.19Å; L7-C23 PolarHBondContact N-O 3.46Å; L7-P68 HydrophobicContact CD1-CB 4.12Å; L7-P68 HydrophobicContact CD1-CG 3.89Å |
| 8 | G | 89.3 | Confident | 78.7 | Confident | 26 Ų | 26 | 100.6 Ų | 100.6 | 27% | 0.268 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -64 | 154.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E10 F11 C23 | G8-E10 WeakPolarHBondContact CA-OE2 3.41Å; G8-E10 PolarHBondContact O-N 3.36Å; G8-F11 WeakPolarHBondContact O-CD2 3.37Å; G8-F11 PolarHBondContact O-N 3.08Å; G8-F11 VanDerWaalsContact O-N 3.15Å; G8-C23 WeakPolarHBondContact O-CB 3.19Å |
| 9 | D | 85.9 | Confident | 79.2 | Confident | 55 Ų | 55 | 97.1 Ų | 97.1 | 29% | 0.294 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -63.1 | -22.9 | -178.7 | -70.2 | -17.3 | 0 | 0 | 0 | 111.7 | F11 C12 | D9-F11 PolarHBondContact O-N 3.4Å; D9-C12 PolarHBondContact O-N 2.96Å; D9-C12 VanDerWaalsContact O-N 3.11Å |
| 10 | E | 85.4 | Confident | 79.8 | Confident | 126 Ų | 126 | 97.6 Ų | 97.6 | 59% | 0.589 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -61.5 | -22.1 | 175.4 | 68.1 | -83.7 | -166.4 | 0 | 0 | 113.9 | G8 C12 E13 | G8-E10 WeakPolarHBondContact CA-OE2 3.41Å; G8-E10 PolarHBondContact O-N 3.36Å; E10-C12 VanDerWaalsContact C-N 3.26Å; E10-C12 PolarHBondContact O-N 2.79Å; E10-E13 WeakPolarHBondContact O-CG 3.41Å |
| 11 | F | 87.1 | Confident | 80.5 | Confident | 121 Ų | 121 | 94.4 Ų | 94.4 | 53% | 0.531 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -80.3 | -9.4 | 177.9 | -68 | -86.3 | 0 | 0 | 0 | 112.9 | L7 G8 D9 P68 | L7-F11 HydrophobicContact CB-CB 4.09Å; L7-F11 HydrophobicContact CB-CD2 3.83Å; L7-F11 HydrophobicContact CB-CG 4.11Å; L7-F11 HydrophobicContact CD1-CB 3.87Å; L7-F11 HydrophobicContact CD1-CD1 4.44Å; L7-F11 HydrophobicContact CD1-CG 4.04Å; G8-F11 WeakPolarHBondContact O-CD2 3.37Å; G8-F11 PolarHBondContact O-N 3.08Å; G8-F11 VanDerWaalsContact O-N 3.15Å; D9-F11 PolarHBondContact O-N 3.4Å; F11-P68 HydrophobicContact CB-CG 4.33Å |
| 12 | C | 86.2 | Confident | 82.1 | Confident | 14 Ų | 14 | 85.9 Ų | 85.9 | 10% | 0.095 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -120.9 | 29.6 | -175.2 | -76.4 | 0 | 0 | 0 | 0 | 113.4 | D9 E10 V16 C23 I70 | D9-C12 PolarHBondContact O-N 2.96Å; D9-C12 VanDerWaalsContact O-N 3.11Å; E10-C12 VanDerWaalsContact C-N 3.26Å; E10-C12 PolarHBondContact O-N 2.79Å; C12-V16 HydrophobicContact CB-CG2 4.01Å; C12-V16 WeakPolarHBondContact O-CG2 3.47Å; C12-C23 HydrophobicContact CB-CB 3.74Å; C12-C23 WeakPolarHBondContact CB-SG 3.49Å; C12-C23 WeakPolarHBondContact SG-CA 3.3Å; C12-C23 WeakPolarHBondContact SG-CB 3.38Å; C12-C23 CovalentContact SG-SG 2.03Å; C12-C23 PolarHBondContact SG-SG 3.32Å; C12-I70 HydrophobicContact CB-CD1 4.46Å; C12-I70 HydrophobicContact CB-CG1 4.19Å |
| 13 | E | 70.5 | Confident | 82.8 | Confident | 157 Ų | 157 | 81.7 Ų | 81.7 | 73% | 0.734 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36.6 | 153.5 | -169.6 | -75.2 | -167.1 | 160.6 | 0 | 0 | 120.2 | E10 F15 | E10-E13 WeakPolarHBondContact O-CG 3.41Å; E13-F15 PolarHBondContact O-N 3.43Å |
| 14 | S | 63.8 | Low | 83.2 | Confident | 110 Ų | 110 | 71.9 Ų | 71.9 | 77% | 0.769 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | -12.9 | 169.6 | 83.2 | 0 | 0 | 0 | 0 | 122.7 | ||
| 15 | F | 57.5 | Low | 83.2 | Confident | 184 Ų | 184 | 70.1 Ų | 70.1 | 81% | 0.807 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -107.8 | 13.4 | 173.2 | -76.7 | -80.3 | 0 | 0 | 0 | 114.2 | E13 | E13-F15 PolarHBondContact O-N 3.43Š|
| 16 | V | 60.3 | Low | 82.6 | Confident | 30 Ų | 30 | 69.2 Ų | 69.2 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | trans | -106.2 | 122.9 | -165.5 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | C12 I18 Q21 I70 | C12-V16 HydrophobicContact CB-CG2 4.01Å; C12-V16 WeakPolarHBondContact O-CG2 3.47Å; V16-I18 VanDerWaalsContact C-N 3.31Å; V16-I18 PolarHBondContact O-N 3.21Å; V16-Q21 HydrophobicContact CG1-CB 3.98Å; V16-Q21 VanDerWaalsContact CG1-OE1 3.28Å; V16-I70 HydrophobicContact CG2-CD1 3.82Å; V16-I70 HydrophobicContact CG2-CG1 4.42Å | ||
| 17 | H | 72.5 | Confident | 81.1 | Confident | 127 Ų | 127 | 70 Ų | 70 | 59% | 0.588 | 36% | 0.358 | S | S | * | . | trans | -69.6 | 94 | 164.7 | -72.8 | -62.3 | 0 | 0 | 0 | 108 | G19 R20 | H17-G19 PolarHBondContact O-N 3.47Å; H17-R20 HydrophobicContact CB-CB 3.87Å; H17-R20 HydrophobicContact CB-CG 4.25Å; H17-R20 PolarHBondContact O-N 3.37Å | ||
| 18 | I | 76.5 | Confident | 79.5 | Confident | 142 Ų | 142 | 77.6 Ų | 77.6 | 73% | 0.728 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.7 | 127 | 176.5 | -60 | 173.3 | 0 | 0 | 0 | 108.9 | V16 R20 | V16-I18 VanDerWaalsContact C-N 3.31Å; V16-I18 PolarHBondContact O-N 3.21Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 2.99Å |
| 19 | G | 87.3 | Confident | 78.2 | Confident | 35 Ų | 35 | 78.7 Ų | 78.7 | 36% | 0.361 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | -12 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | H17 R73 A76 | H17-G19 PolarHBondContact O-N 3.47Å; G19-R73 WeakPolarHBondContact O-CD 3.29Å; G19-A76 VanDerWaalsContact O-CB 3.26Å; G19-A76 WeakPolarHBondContact O-CB 3.32Å |
| 20 | R | 92.1 | Very high | 77.3 | Confident | 107 Ų | 107 | 83.7 Ų | 83.7 | 40% | 0.404 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -4.3 | 175.2 | -62 | 179.3 | 64.8 | 83.7 | -10.8 | 113.7 | H17 I18 R73 A76 Y77 | H17-R20 HydrophobicContact CB-CB 3.87Å; H17-R20 HydrophobicContact CB-CG 4.25Å; H17-R20 PolarHBondContact O-N 3.37Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 2.99Å; R20-R73 WeakPolarHBondContact O-CB 3.39Å; R20-R73 PolarHBondContact O-N 2.84Å; R20-A76 HydrophobicContact CB-CB 4.37Å; R20-A76 HydrophobicContact CG-CB 4.29Å; R20-Y77 HydrophobicContact CB-CE2 4.39Å; R20-Y77 PolarHBondContact NE-OH 2.96Å; R20-Y77 VanDerWaalsContact NH2-CZ 3.33Å; R20-Y77 PolarHBondContact NH2-OH 3.37Å |
| 21 | Q | 93.1 | Very high | 76.7 | Confident | 30 Ų | 30 | 84.9 Ų | 84.9 | 14% | 0.14 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 165.4 | -176.7 | -78.3 | 164.4 | -33.1 | 0 | 0 | 110.9 | V16 I70 Y71 R73 | V16-Q21 HydrophobicContact CG1-CB 3.98Å; V16-Q21 VanDerWaalsContact CG1-OE1 3.28Å; Q21-I70 HydrophobicContact CB-CG2 3.85Å; Q21-I70 HydrophobicContact CG-CG2 3.68Å; Q21-Y71 CarbonylContact C-O 3.56Å; Q21-Y71 WeakPolarHBondContact CA-O 3.4Å; Q21-R73 PolarHBondContact O-NE 3.02Å; Q21-R73 PolarHBondContact O-NH2 3.21Å |
| 22 | L | 93.7 | Very high | 76.3 | Confident | 10 Ų | 10 | 79.8 Ų | 79.8 | 5% | 0.052 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.6 | 172.5 | -66.4 | 168.5 | 0 | 0 | 0 | 107.6 | I6 V24 L42 L53 I70 Y71 R73 | I6-L22 HydrophobicContact CG2-CD2 4.3Å; L22-V24 HydrophobicContact CB-CG2 4.14Å; L22-L42 HydrophobicContact CD1-CD2 4.2Å; L22-L53 HydrophobicContact CD1-CB 4.17Å; L22-L53 WeakPolarHBondContact CD1-O 3.49Å; L22-I70 WeakPolarHBondContact O-CA 3.36Å; L22-Y71 PolarHBondContact N-O 3.11Å; L22-Y71 PolarHBondContact O-N 3.29Å; L22-R73 HydrophobicContact CD1-CB 4.46Å; L22-R73 HydrophobicContact CD1-CG 4.37Å; L22-R73 HydrophobicContact CD2-CG 4.17Å; L22-R73 HydrophobicContact CG-CB 3.96Å; L22-R73 HydrophobicContact CG-CG 4.04Å |
| 23 | C | 92.1 | Very high | 76.4 | Confident | 2 Ų | 2 | 79.5 Ų | 79.5 | 1% | 0.014 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 126.5 | 167.2 | -164.1 | 0 | 0 | 0 | 0 | 108.8 | L7 G8 C12 | L7-C23 HydrophobicContact CB-CB 4.19Å; L7-C23 PolarHBondContact N-O 3.46Å; G8-C23 WeakPolarHBondContact O-CB 3.19Å; C12-C23 HydrophobicContact CB-CB 3.74Å; C12-C23 WeakPolarHBondContact CB-SG 3.49Å; C12-C23 WeakPolarHBondContact SG-CA 3.3Å; C12-C23 WeakPolarHBondContact SG-CB 3.38Å; C12-C23 CovalentContact SG-SG 2.03Å; C12-C23 PolarHBondContact SG-SG 3.32Å |
| 24 | V | 92 | Very high | 77.1 | Confident | 2 Ų | 2 | 73.6 Ų | 73.6 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 121.4 | -174.1 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | L4 D5 L22 L42 P68 S69 Y71 | L4-V24 HydrophobicContact CB-CG1 3.52Å; L4-V24 HydrophobicContact CD1-CG1 3.84Å; L4-V24 HydrophobicContact CG-CG1 4.22Å; D5-V24 CarbonylContact O-C 3.59Å; D5-V24 VanDerWaalsContact O-CA 3.32Å; D5-V24 WeakPolarHBondContact O-CA 2.84Å; L22-V24 HydrophobicContact CB-CG2 4.14Å; V24-L42 HydrophobicContact CG1-CD1 4.23Å; V24-L42 HydrophobicContact CG2-CD2 3.74Å; V24-P68 CarbonylContact O-C 3.44Å; V24-P68 WeakPolarHBondContact O-CA 3.42Å; V24-S69 PolarHBondContact N-O 3.37Å; V24-S69 PolarHBondContact O-N 2.91Å; V24-Y71 HydrophobicContact CB-CD2 3.65Å; V24-Y71 HydrophobicContact CB-CE2 3.72Å; V24-Y71 HydrophobicContact CG1-CD2 4.28Å; V24-Y71 HydrophobicContact CG1-CE2 3.91Å; V24-Y71 HydrophobicContact CG2-CD2 3.43Å; V24-Y71 VanDerWaalsContact CG2-CD2 3.43Å; V24-Y71 HydrophobicContact CG2-CE2 3.95Å; V24-Y71 HydrophobicContact CG2-CG 4.11Å |
| 25 | G | 89.4 | Confident | 78.2 | Confident | 6 Ų | 6 | 78 Ų | 78 | 6% | 0.062 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 177.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L4 D5 | L4-G25 WeakPolarHBondContact CA-O 3.23Å; D5-G25 PolarHBondContact N-O 2.95Å; D5-G25 PolarHBondContact O-N 3.16Å |
| 26 | Q | 77.5 | Confident | 79.7 | Confident | 29 Ų | 29 | 72.9 Ų | 72.9 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | trans | -109.3 | 146.9 | 172.7 | -61 | -150.2 | 13.2 | 0 | 0 | 111.3 | L4 S29 Y31 | L4-Q26 HydrophobicContact CD2-CG 3.47Å; L4-Q26 VanDerWaalsContact CD2-CG 3.47Å; Q26-S29 PolarHBondContact OE1-OG 2.89Å; Q26-Y31 PolarHBondContact NE2-O 3.42Å; Q26-Y31 PolarHBondContact OE1-O 3.29Å | ||
| 27 | H | 60.4 | Low | 81 | Confident | 108 Ų | 108 | 74.4 Ų | 74.4 | 50% | 0.5 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -88.6 | -38.4 | -179 | -157 | 107.3 | 0 | 0 | 0 | 113.5 | D5 | D5-H27 WeakPolarHBondContact OD2-CB 3.37Å; D5-H27 IonicContact OD2-CE1 3.61Å; D5-H27 IonicContact OD2-CG 3.69Å; D5-H27 IonicContact OD2-ND1 2.72Å; D5-H27 PolarHBondContact OD2-ND1 3.43Å |
| 28 | Y | 57.1 | Low | 82 | Confident | 209 Ų | 209 | 72.5 Ų | 72.5 | 82% | 0.82 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -138.5 | 2.6 | -162.5 | -68.7 | -69.2 | 0 | 0 | 0 | 115.6 | ||
| 29 | S | 62.4 | Low | 82.9 | Confident | 49 Ų | 49 | 68.2 Ų | 68.2 | 34% | 0.343 | 36% | 0.361 | S | S | . | . | trans | -117.7 | 139.9 | -166.8 | 146.9 | 0 | 0 | 0 | 0 | 112.6 | Q26 Y31 | Q26-S29 PolarHBondContact OE1-OG 2.89Å; S29-Y31 PolarHBondContact O-N 3.41Å; S29-Y31 WeakPolarHBondContact OG-CA 3.44Å; S29-Y31 PolarHBondContact OG-N 2.87Å; S29-Y31 PolarHBondContact OG-O 3.21Å | ||
| 30 | E | 67.3 | Low | 83.1 | Confident | 160 Ų | 160 | 68.3 Ų | 68.3 | 75% | 0.748 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -71 | -10.3 | 170.8 | -63.4 | -178 | 176.9 | 0 | 0 | 112.6 | T64 | E30-T64 VanDerWaalsContact O-CA 3.31Å; E30-T64 WeakPolarHBondContact O-CA 3.47Å |
| 31 | Y | 72.9 | Confident | 83.2 | Confident | 151 Ų | 151 | 66.4 Ų | 66.4 | 59% | 0.592 | 36% | 0.357 | S | S | * | . | trans | -101.1 | 139.2 | 179.4 | -58.1 | -72.9 | 0 | 0 | 0 | 110.4 | Q26 S29 C63 T64 | Q26-Y31 PolarHBondContact NE2-O 3.42Å; Q26-Y31 PolarHBondContact OE1-O 3.29Å; S29-Y31 PolarHBondContact O-N 3.41Å; S29-Y31 WeakPolarHBondContact OG-CA 3.44Å; S29-Y31 PolarHBondContact OG-N 2.87Å; S29-Y31 PolarHBondContact OG-O 3.21Å; Y31-C63 CarbonylContact C-O 3.58Å; Y31-C63 WeakPolarHBondContact CA-O 2.98Å; Y31-T64 HydrophobicContact CD1-CG2 4.43Å | ||
| 32 | N | 78 | Confident | 83.3 | Confident | 13 Ų | 13 | 65.7 Ų | 65.7 | 7% | 0.07 | 36% | 0.355 | C | S | . | . | trans | -122.3 | -174.8 | 176.3 | -149.7 | -36.5 | 0 | 0 | 0 | 109.5 | P60 C63 E65 I67 S69 | N32-P60 HydrophobicContact CB-CG 3.67Å; N32-P60 VanDerWaalsContact CG-CG 3.45Å; N32-C63 PolarHBondContact N-O 3.5Å; N32-E65 VanDerWaalsContact CB-O 3.26Å; N32-E65 WeakPolarHBondContact CB-O 3.5Å; N32-E65 PolarHBondContact ND2-O 3.13Å; N32-I67 PolarHBondContact ND2-N 3.27Å; N32-I67 PolarHBondContact ND2-O 2.93Å; N32-S69 PolarHBondContact OD1-OG 3.39Å | ||
| 33 | T | 87.1 | Confident | 83.4 | Confident | 8 Ų | 8 | 69.8 Ų | 69.8 | 5% | 0.049 | 37% | 0.372 | C | S | . | . | trans | -58.4 | 149.2 | 169.1 | 58.8 | 0 | 0 | 0 | 0 | 110.5 | L56 P60 S69 | T33-L56 HydrophobicContact CG2-CD1 3.94Å; T33-L56 HydrophobicContact CG2-CD2 3.59Å; T33-L56 HydrophobicContact CG2-CG 4.44Å; T33-P60 WeakPolarHBondContact OG1-CD 3.34Å; T33-S69 VanDerWaalsContact CG2-OG 3.31Å; T33-S69 WeakPolarHBondContact CG2-OG 3.37Å; T33-S69 PolarHBondContact OG1-OG 3.29Å | ||
| 34 | C | 86.8 | Confident | 83.5 | Confident | 34 Ų | 34 | 72.2 Ų | 72.2 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -118 | 166.2 | -176.3 | -68 | 0 | 0 | 0 | 0 | 112.3 | G36 D37 C63 | C34-G36 PolarHBondContact O-N 3.46Å; C34-D37 PolarHBondContact N-OD2 2.96Å; C34-D37 WeakPolarHBondContact O-CB 3.41Å; C34-D37 PolarHBondContact O-N 3.4Å; C34-D37 VanDerWaalsContact O-N 3.09Å; C34-C63 HydrophobicContact CB-CB 4.2Å; C34-C63 WeakPolarHBondContact CB-SG 3.42Å; C34-C63 VanDerWaalsContact SG-CA 3.55Å; C34-C63 WeakPolarHBondContact SG-CB 3.46Å; C34-C63 CovalentContact SG-SG 2.01Å; C34-C63 PolarHBondContact SG-SG 3.08Å |
| 35 | Y | 87.1 | Confident | 83.6 | Confident | 203 Ų | 203 | 78.5 Ų | 78.5 | 80% | 0.796 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 129.7 | 156.4 | -69.6 | -53.1 | 0 | 0 | 0 | 110.7 | G61 | Y35-G61 WeakPolarHBondContact CD2-O 3.16Å; Y35-G61 VanDerWaalsContact CE2-O 3.28Å; Y35-G61 WeakPolarHBondContact CE2-O 3.2Å; Y35-G61 VanDerWaalsContact CZ-CA 3.46Å; Y35-G61 PolarHBondContact N-O 3.15Å |
| 36 | G | 88 | Confident | 83.8 | Confident | 75 Ų | 75 | 81.8 Ų | 81.8 | 77% | 0.773 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | -15.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | C34 S38 | C34-G36 PolarHBondContact O-N 3.46Å; G36-S38 VanDerWaalsContact C-N 3.29Å; G36-S38 PolarHBondContact O-N 3.42Å |
| 37 | D | 88.9 | Confident | 84.7 | Confident | 63 Ų | 63 | 88.1 Ų | 88.1 | 34% | 0.337 | 47% | 0.466 | S | S | . | . | trans | -79.9 | -11.4 | 176.5 | -68.5 | -21.4 | 0 | 0 | 0 | 112.7 | C34 G39 S40 L56 | C34-D37 PolarHBondContact N-OD2 2.96Å; C34-D37 WeakPolarHBondContact O-CB 3.41Å; C34-D37 PolarHBondContact O-N 3.4Å; C34-D37 VanDerWaalsContact O-N 3.09Å; D37-G39 PolarHBondContact O-N 3.16Å; D37-S40 WeakPolarHBondContact O-CB 3.39Å; D37-S40 PolarHBondContact O-N 2.89Å; D37-S40 PolarHBondContact O-OG 3.21Å; D37-L56 HydrophobicContact CB-CD2 3.44Å; D37-L56 VanDerWaalsContact CB-CD2 3.44Å; D37-L56 WeakPolarHBondContact O-CD2 3.37Å | ||
| 38 | S | 92.5 | Very high | 86.4 | Confident | 87 Ų | 87 | 85.7 Ų | 85.7 | 61% | 0.608 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 131.9 | 179.4 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | G36 S40 | G36-S38 VanDerWaalsContact C-N 3.29Å; G36-S38 PolarHBondContact O-N 3.42Å; S38-S40 VanDerWaalsContact C-N 3.32Å |
| 39 | G | 94.5 | Very high | 88.3 | Confident | 51 Ų | 51 | 85 Ų | 85 | 53% | 0.526 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -6.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D37 L56 | D37-G39 PolarHBondContact O-N 3.16Å; G39-L56 PolarHBondContact N-O 2.93Å |
| 40 | S | 92.6 | Very high | 89.8 | Confident | 38 Ų | 38 | 90 Ų | 90 | 27% | 0.266 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 144 | 176 | 64 | 0 | 0 | 0 | 0 | 112.1 | D37 S38 V55 L56 | D37-S40 WeakPolarHBondContact O-CB 3.39Å; D37-S40 PolarHBondContact O-N 2.89Å; D37-S40 PolarHBondContact O-OG 3.21Å; S38-S40 VanDerWaalsContact C-N 3.32Å; S40-V55 WeakPolarHBondContact O-CA 3.5Å; S40-L56 PolarHBondContact O-N 2.89Å |
| 41 | P | 94.9 | Very high | 91.2 | Very high | 67 Ų | 67 | 85.2 Ų | 85.2 | 44% | 0.435 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 141.4 | -179.4 | 31.4 | -36.1 | 0 | 0 | 0 | 112.8 | F43 G54 | P41-F43 HydrophobicContact CB-CD2 4.2Å; P41-F43 HydrophobicContact CB-CE1 4.27Å; P41-F43 HydrophobicContact CB-CE2 3.62Å; P41-F43 HydrophobicContact CB-CZ 3.64Å; P41-F43 HydrophobicContact CG-CD2 4.09Å; P41-F43 HydrophobicContact CG-CE2 3.25Å; P41-F43 HydrophobicContact CG-CZ 3.57Å; P41-G54 WeakPolarHBondContact CA-O 2.98Å |
| 42 | L | 94.3 | Very high | 92.3 | Very high | 15 Ų | 15 | 79.9 Ų | 79.9 | 8% | 0.079 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 117.4 | 162.4 | 179.3 | 71.7 | 0 | 0 | 0 | 109.4 | L4 I6 L22 V24 A52 L53 G54 Y71 | L4-L42 HydrophobicContact CB-CD1 4.24Å; L4-L42 HydrophobicContact CD1-CD1 3.89Å; I6-L42 HydrophobicContact CG1-CD2 4.36Å; L22-L42 HydrophobicContact CD1-CD2 4.2Å; V24-L42 HydrophobicContact CG1-CD1 4.23Å; V24-L42 HydrophobicContact CG2-CD2 3.74Å; L42-A52 CarbonylContact O-C 3.5Å; L42-A52 WeakPolarHBondContact O-CA 3.48Å; L42-L53 HydrophobicContact CD2-CB 4.43Å; L42-L53 PolarHBondContact O-N 3.29Å; L42-G54 PolarHBondContact N-O 3.13Å; L42-Y71 HydrophobicContact CB-CD1 3.58Å; L42-Y71 HydrophobicContact CB-CE1 3.64Å; L42-Y71 HydrophobicContact CB-CG 4.34Å; L42-Y71 HydrophobicContact CD2-CD1 4.49Å; L42-Y71 HydrophobicContact CD2-CG 4.46Å |
| 43 | F | 95.2 | Very high | 93.2 | Very high | 96 Ų | 96 | 81.4 Ų | 81.4 | 42% | 0.421 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 141.6 | 177.1 | -65.6 | -72.5 | 0 | 0 | 0 | 112.5 | M1 P41 Y50 V51 A52 | M1-F43 HydrophobicContact CE-CB 4.37Å; P41-F43 HydrophobicContact CB-CD2 4.2Å; P41-F43 HydrophobicContact CB-CE1 4.27Å; P41-F43 HydrophobicContact CB-CE2 3.62Å; P41-F43 HydrophobicContact CB-CZ 3.64Å; P41-F43 HydrophobicContact CG-CD2 4.09Å; P41-F43 HydrophobicContact CG-CE2 3.25Å; P41-F43 HydrophobicContact CG-CZ 3.57Å; F43-Y50 HydrophobicContact CB-CD1 4.18Å; F43-V51 WeakPolarHBondContact CA-O 3.22Å; F43-A52 HydrophobicContact CD1-CB 4.03Å; F43-A52 HydrophobicContact CE1-CB 3.81Å |
| 44 | C | 94 | Very high | 93.6 | Very high | 52 Ų | 52 | 81 Ų | 81 | 35% | 0.351 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 147.8 | 166.5 | -171.7 | 0 | 0 | 0 | 0 | 110.2 | I46 Y50 V51 L53 | C44-I46 HydrophobicContact CB-CG1 4.45Å; C44-Y50 CarbonylContact O-C 3.53Å; C44-Y50 WeakPolarHBondContact O-CA 3.26Å; C44-V51 PolarHBondContact N-O 3.47Å; C44-V51 PolarHBondContact O-N 3.19Å; C44-L53 HydrophobicContact CB-CD1 3.36Å; C44-L53 HydrophobicContact CB-CG 3.9Å |
| 45 | K | 94.1 | Very high | 94.1 | Very high | 134 Ų | 134 | 81.9 Ų | 81.9 | 58% | 0.583 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 106.6 | 173.8 | -168.6 | 175.3 | -178.1 | 178.9 | 0 | 109.4 | R49 Y50 | K45-R49 CarbonylContact C-O 3.55Å; K45-R49 VanDerWaalsContact CA-O 3.29Å; K45-R49 WeakPolarHBondContact CA-O 3.33Å; K45-Y50 HydrophobicContact CB-CD1 4.41Å; K45-Y50 HydrophobicContact CB-CE1 4.28Å |
| 46 | I | 94.7 | Very high | 94.4 | Very high | 76 Ų | 76 | 72.5 Ų | 72.5 | 39% | 0.39 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.2 | 177.4 | -55.2 | 175.2 | 0 | 0 | 0 | 107.4 | C44 G48 R49 V51 L53 | C44-I46 HydrophobicContact CB-CG1 4.45Å; I46-G48 PolarHBondContact O-N 2.89Å; I46-G48 VanDerWaalsContact O-N 3.08Å; I46-R49 PolarHBondContact N-O 3.36Å; I46-R49 PolarHBondContact O-N 3.01Å; I46-R49 VanDerWaalsContact O-O 3.12Å; I46-V51 HydrophobicContact CB-CG2 4.22Å; I46-V51 HydrophobicContact CD1-CB 4.23Å; I46-V51 HydrophobicContact CD1-CG2 4.25Å; I46-V51 HydrophobicContact CG1-CG2 4.45Å; I46-L53 HydrophobicContact CD1-CD2 4.32Å |
| 47 | D | 96.3 | Very high | 94.6 | Very high | 161 Ų | 161 | 72.3 Ų | 72.3 | 86% | 0.861 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 40.7 | 178.1 | -55.6 | -33.4 | 0 | 0 | 0 | 114.2 | R49 | D47-R49 VanDerWaalsContact C-N 3.31Å; D47-R49 PolarHBondContact O-N 3.47Å |
| 48 | G | 96.3 | Very high | 94.7 | Very high | 57 Ų | 57 | 74.2 Ų | 74.2 | 59% | 0.588 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | -2.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | I46 | I46-G48 PolarHBondContact O-N 2.89Å; I46-G48 VanDerWaalsContact O-N 3.08Å |
| 49 | R | 96.1 | Very high | 94.5 | Very high | 196 Ų | 196 | 71.5 Ų | 71.5 | 74% | 0.74 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 145.4 | -176.6 | -59.6 | -177.8 | -178.6 | -158.1 | -0.5 | 112 | K45 I46 D47 | K45-R49 CarbonylContact C-O 3.55Å; K45-R49 VanDerWaalsContact CA-O 3.29Å; K45-R49 WeakPolarHBondContact CA-O 3.33Å; I46-R49 PolarHBondContact N-O 3.36Å; I46-R49 PolarHBondContact O-N 3.01Å; I46-R49 VanDerWaalsContact O-O 3.12Å; D47-R49 VanDerWaalsContact C-N 3.31Å; D47-R49 PolarHBondContact O-N 3.47Å |
| 50 | Y | 95 | Very high | 93.9 | Very high | 153 Ų | 153 | 69.5 Ų | 69.5 | 60% | 0.6 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 123.9 | 171.5 | -71.6 | -76.3 | 0 | 0 | 0 | 110.2 | M1 F43 C44 K45 | M1-Y50 HydrophobicContact CE-CE1 4.35Å; F43-Y50 HydrophobicContact CB-CD1 4.18Å; C44-Y50 CarbonylContact O-C 3.53Å; C44-Y50 WeakPolarHBondContact O-CA 3.26Å; K45-Y50 HydrophobicContact CB-CD1 4.41Å; K45-Y50 HydrophobicContact CB-CE1 4.28Å |
| 51 | V | 96.2 | Very high | 93.2 | Very high | 59 Ų | 59 | 68.4 Ų | 68.4 | 36% | 0.358 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.9 | 178.7 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | F43 C44 I46 L53 | F43-V51 WeakPolarHBondContact CA-O 3.22Å; C44-V51 PolarHBondContact N-O 3.47Å; C44-V51 PolarHBondContact O-N 3.19Å; I46-V51 HydrophobicContact CB-CG2 4.22Å; I46-V51 HydrophobicContact CD1-CB 4.23Å; I46-V51 HydrophobicContact CD1-CG2 4.25Å; I46-V51 HydrophobicContact CG1-CG2 4.45Å; V51-L53 HydrophobicContact CG1-CD2 4.11Å; V51-L53 PolarHBondContact O-N 2.85Å |
| 52 | A | 96 | Very high | 92.7 | Very high | 40 Ų | 40 | 68.8 Ų | 68.8 | 33% | 0.331 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 120.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | L42 F43 L74 | L42-A52 CarbonylContact O-C 3.5Å; L42-A52 WeakPolarHBondContact O-CA 3.48Å; F43-A52 HydrophobicContact CD1-CB 4.03Å; F43-A52 HydrophobicContact CE1-CB 3.81Å; A52-L74 HydrophobicContact CB-CD1 3.62Å; A52-L74 WeakPolarHBondContact O-CD1 3.39Å |
| 53 | L | 96.4 | Very high | 92.2 | Very high | 45 Ų | 45 | 69.9 Ų | 69.9 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -28.7 | 179.2 | -63.9 | -172.8 | 0 | 0 | 0 | 112.7 | I6 L22 L42 C44 I46 V51 L74 | I6-L53 HydrophobicContact CD1-CD1 3.84Å; L22-L53 HydrophobicContact CD1-CB 4.17Å; L22-L53 WeakPolarHBondContact CD1-O 3.49Å; L42-L53 HydrophobicContact CD2-CB 4.43Å; L42-L53 PolarHBondContact O-N 3.29Å; C44-L53 HydrophobicContact CB-CD1 3.36Å; C44-L53 HydrophobicContact CB-CG 3.9Å; I46-L53 HydrophobicContact CD1-CD2 4.32Å; V51-L53 HydrophobicContact CG1-CD2 4.11Å; V51-L53 PolarHBondContact O-N 2.85Å; L53-L74 WeakPolarHBondContact O-CB 3.49Å; L53-L74 PolarHBondContact O-N 2.74Å |
| 54 | G | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 172.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P41 L42 A72 | P41-G54 WeakPolarHBondContact CA-O 2.98Å; L42-G54 PolarHBondContact N-O 3.13Å; G54-A72 CarbonylContact C-O 3.58Å; G54-A72 WeakPolarHBondContact CA-O 3.24Å |
| 55 | V | 96.7 | Very high | 91 | Very high | 51 Ų | 51 | 70.6 Ų | 70.6 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.3 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | S40 S57 Y71 A72 L74 | S40-V55 WeakPolarHBondContact O-CA 3.5Å; V55-S57 PolarHBondContact O-N 2.84Å; V55-Y71 CarbonylContact O-C 3.48Å; V55-Y71 VanDerWaalsContact O-CA 3.22Å; V55-Y71 WeakPolarHBondContact O-CA 3.5Å; V55-A72 PolarHBondContact N-O 2.96Å; V55-A72 VanDerWaalsContact N-O 3.14Å; V55-A72 PolarHBondContact O-N 3.23Å; V55-L74 HydrophobicContact CG2-CD1 4.49Å; V55-L74 HydrophobicContact CG2-CD2 3.94Å; V55-L74 HydrophobicContact CG2-CG 4.32Å |
| 56 | L | 93.5 | Very high | 90.4 | Very high | 7 Ų | 7 | 70.7 Ų | 70.7 | 4% | 0.037 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 123.5 | -176.9 | 179.7 | 60.9 | 0 | 0 | 0 | 109.8 | T33 D37 G39 S40 L58 Y71 | T33-L56 HydrophobicContact CG2-CD1 3.94Å; T33-L56 HydrophobicContact CG2-CD2 3.59Å; T33-L56 HydrophobicContact CG2-CG 4.44Å; D37-L56 HydrophobicContact CB-CD2 3.44Å; D37-L56 VanDerWaalsContact CB-CD2 3.44Å; D37-L56 WeakPolarHBondContact O-CD2 3.37Å; G39-L56 PolarHBondContact N-O 2.93Å; S40-L56 PolarHBondContact O-N 2.89Å; L56-L58 WeakPolarHBondContact CD1-O 3.49Å; L56-Y71 VanDerWaalsContact CA-CD1 3.47Å; L56-Y71 HydrophobicContact CB-CD1 4.04Å; L56-Y71 HydrophobicContact CB-CE1 3.57Å; L56-Y71 HydrophobicContact CD1-CD2 4.05Å; L56-Y71 HydrophobicContact CD1-CE1 4.27Å; L56-Y71 HydrophobicContact CD1-CE2 3.64Å; L56-Y71 HydrophobicContact CG-CE1 4.48Å |
| 57 | S | 92.8 | Very high | 90 | Very high | 71 Ų | 71 | 71.3 Ų | 71.3 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -37.4 | -176.6 | -172.7 | 0 | 0 | 0 | 0 | 112.7 | V55 I70 | V55-S57 PolarHBondContact O-N 2.84Å; S57-I70 WeakPolarHBondContact CB-O 3.48Å; S57-I70 PolarHBondContact N-O 3.14Å |
| 58 | L | 90.4 | Very high | 89.6 | Confident | 103 Ų | 103 | 65.3 Ų | 65.3 | 54% | 0.539 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 146.2 | -179.9 | 179.7 | 64.5 | 0 | 0 | 0 | 109.1 | L56 S69 I70 | L56-L58 WeakPolarHBondContact CD1-O 3.49Å; L58-S69 CarbonylContact O-C 3.59Å; L58-S69 WeakPolarHBondContact O-CA 3.39Å; L58-S69 WeakPolarHBondContact O-CB 3.37Å; L58-I70 HydrophobicContact CB-CB 4.2Å; L58-I70 HydrophobicContact CD2-CD1 3.95Å; L58-I70 PolarHBondContact N-O 2.83Å; L58-I70 PolarHBondContact O-N 2.94Å |
| 59 | G | 87.3 | Confident | 89.3 | Confident | 30 Ų | 30 | 62.7 Ų | 62.7 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | trans | -175.2 | 179.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 60 | P | 81.9 | Confident | 89.2 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | trans | -60 | 150.2 | 175.4 | 22.8 | -33.2 | 0 | 0 | 0 | 112.3 | N32 T33 E65 | N32-P60 HydrophobicContact CB-CG 3.67Å; N32-P60 VanDerWaalsContact CG-CG 3.45Å; T33-P60 WeakPolarHBondContact OG1-CD 3.34Å; P60-E65 HydrophobicContact CB-CB 3.57Å; P60-E65 HydrophobicContact CG-CB 4.37Å | ||
| 61 | G | 79.1 | Confident | 89.1 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -85.5 | -30.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y35 | Y35-G61 WeakPolarHBondContact CD2-O 3.16Å; Y35-G61 VanDerWaalsContact CE2-O 3.28Å; Y35-G61 WeakPolarHBondContact CE2-O 3.2Å; Y35-G61 VanDerWaalsContact CZ-CA 3.46Å; Y35-G61 PolarHBondContact N-O 3.15Å |
| 62 | N | 84.2 | Confident | 89.1 | Confident | 76 Ų | 76 | 45.5 Ų | 45.5 | 41% | 0.406 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -96.8 | 10.6 | -165.8 | 74.1 | -3.3 | 0 | 0 | 0 | 115.1 | T64 E65 | N62-T64 PolarHBondContact O-N 3.4Å; N62-T64 PolarHBondContact O-OG1 3.25Å; N62-T64 PolarHBondContact OD1-N 2.92Å; N62-E65 VanDerWaalsContact CG-OE1 3.23Å; N62-E65 WeakPolarHBondContact ND2-CG 3.22Å; N62-E65 PolarHBondContact ND2-OE1 2.83Å; N62-E65 VanDerWaalsContact OD1-CB 3.31Å; N62-E65 WeakPolarHBondContact OD1-CB 3.41Å; N62-E65 VanDerWaalsContact OD1-CG 3.32Å; N62-E65 WeakPolarHBondContact OD1-CG 3.47Å; N62-E65 PolarHBondContact OD1-N 2.83Å |
| 63 | C | 84.6 | Confident | 89.1 | Confident | 37 Ų | 37 | 47 Ų | 47 | 25% | 0.25 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 63.2 | -4.7 | -179.2 | -52.3 | 0 | 0 | 0 | 0 | 116.4 | Y31 N32 C34 | Y31-C63 CarbonylContact C-O 3.58Å; Y31-C63 WeakPolarHBondContact CA-O 2.98Å; N32-C63 PolarHBondContact N-O 3.5Å; C34-C63 HydrophobicContact CB-CB 4.2Å; C34-C63 WeakPolarHBondContact CB-SG 3.42Å; C34-C63 VanDerWaalsContact SG-CA 3.55Å; C34-C63 WeakPolarHBondContact SG-CB 3.46Å; C34-C63 CovalentContact SG-SG 2.01Å; C34-C63 PolarHBondContact SG-SG 3.08Å |
| 64 | T | 82.6 | Confident | 89.1 | Confident | 83 Ų | 83 | 47 Ų | 47 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | trans | -131.2 | -10.1 | -171.9 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | E30 Y31 N62 N66 | E30-T64 VanDerWaalsContact O-CA 3.31Å; E30-T64 WeakPolarHBondContact O-CA 3.47Å; Y31-T64 HydrophobicContact CD1-CG2 4.43Å; N62-T64 PolarHBondContact O-N 3.4Å; N62-T64 PolarHBondContact O-OG1 3.25Å; N62-T64 PolarHBondContact OD1-N 2.92Å; T64-N66 PolarHBondContact O-N 3.38Å | ||
| 65 | E | 80.9 | Confident | 89 | Confident | 81 Ų | 81 | 51.7 Ų | 51.7 | 38% | 0.379 | 30% | 0.303 | S | S | . | . | trans | -63.6 | 124.9 | 169.9 | -88.8 | 163.4 | -137.2 | 0 | 0 | 110.5 | N32 P60 N62 I67 | N32-E65 VanDerWaalsContact CB-O 3.26Å; N32-E65 WeakPolarHBondContact CB-O 3.5Å; N32-E65 PolarHBondContact ND2-O 3.13Å; P60-E65 HydrophobicContact CB-CB 3.57Å; P60-E65 HydrophobicContact CG-CB 4.37Å; N62-E65 VanDerWaalsContact CG-OE1 3.23Å; N62-E65 WeakPolarHBondContact ND2-CG 3.22Å; N62-E65 PolarHBondContact ND2-OE1 2.83Å; N62-E65 VanDerWaalsContact OD1-CB 3.31Å; N62-E65 WeakPolarHBondContact OD1-CB 3.41Å; N62-E65 VanDerWaalsContact OD1-CG 3.32Å; N62-E65 WeakPolarHBondContact OD1-CG 3.47Å; N62-E65 PolarHBondContact OD1-N 2.83Å; E65-I67 HydrophobicContact CB-CD1 4.26Å; E65-I67 HydrophobicContact CB-CG1 4.27Å; E65-I67 HydrophobicContact CG-CD1 4.45Å; E65-I67 PolarHBondContact O-N 3.07Å; E65-I67 WeakPolarHBondContact OE2-CD1 3.32Å | ||
| 66 | N | 81.4 | Confident | 89 | Confident | 136 Ų | 136 | 50.9 Ų | 50.9 | 73% | 0.727 | 30% | 0.301 | S | S | * | . | trans | -81.7 | 59.9 | 176 | -169.8 | 24.3 | 0 | 0 | 0 | 111.4 | T64 | T64-N66 PolarHBondContact O-N 3.38Š| ||
| 67 | I | 85 | Confident | 89.2 | Confident | 89 Ų | 89 | 53.4 Ų | 53.4 | 46% | 0.456 | 31% | 0.311 | S | S | . | . | trans | -112.9 | 134.9 | 176.8 | -59.4 | 175.1 | 0 | 0 | 0 | 108.4 | N32 E65 | N32-I67 PolarHBondContact ND2-N 3.27Å; N32-I67 PolarHBondContact ND2-O 2.93Å; E65-I67 HydrophobicContact CB-CD1 4.26Å; E65-I67 HydrophobicContact CB-CG1 4.27Å; E65-I67 HydrophobicContact CG-CD1 4.45Å; E65-I67 PolarHBondContact O-N 3.07Å; E65-I67 WeakPolarHBondContact OE2-CD1 3.32Å | ||
| 68 | P | 89.4 | Confident | 89.3 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -57 | 145.3 | 174.3 | -26.5 | 36.4 | 0 | 0 | 0 | 113 | L7 F11 V24 | L7-P68 HydrophobicContact CD1-CB 4.12Å; L7-P68 HydrophobicContact CD1-CG 3.89Å; F11-P68 HydrophobicContact CB-CG 4.33Å; V24-P68 CarbonylContact O-C 3.44Å; V24-P68 WeakPolarHBondContact O-CA 3.42Å |
| 69 | S | 90.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 144.5 | 174.4 | -55.1 | 0 | 0 | 0 | 0 | 110.3 | V24 N32 T33 L58 | V24-S69 PolarHBondContact N-O 3.37Å; V24-S69 PolarHBondContact O-N 2.91Å; N32-S69 PolarHBondContact OD1-OG 3.39Å; T33-S69 VanDerWaalsContact CG2-OG 3.31Å; T33-S69 WeakPolarHBondContact CG2-OG 3.37Å; T33-S69 PolarHBondContact OG1-OG 3.29Å; L58-S69 CarbonylContact O-C 3.59Å; L58-S69 WeakPolarHBondContact O-CA 3.39Å; L58-S69 WeakPolarHBondContact O-CB 3.37Å |
| 70 | I | 92.7 | Very high | 90.2 | Very high | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.087 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.8 | 178.4 | -62.5 | 163.2 | 0 | 0 | 0 | 109 | C12 V16 Q21 L22 S57 L58 | C12-I70 HydrophobicContact CB-CD1 4.46Å; C12-I70 HydrophobicContact CB-CG1 4.19Å; V16-I70 HydrophobicContact CG2-CD1 3.82Å; V16-I70 HydrophobicContact CG2-CG1 4.42Å; Q21-I70 HydrophobicContact CB-CG2 3.85Å; Q21-I70 HydrophobicContact CG-CG2 3.68Å; L22-I70 WeakPolarHBondContact O-CA 3.36Å; S57-I70 WeakPolarHBondContact CB-O 3.48Å; S57-I70 PolarHBondContact N-O 3.14Å; L58-I70 HydrophobicContact CB-CB 4.2Å; L58-I70 HydrophobicContact CD2-CD1 3.95Å; L58-I70 PolarHBondContact N-O 2.83Å; L58-I70 PolarHBondContact O-N 2.94Å |
| 71 | Y | 94.3 | Very high | 90.9 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 3% | 0.027 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 141.1 | 172.5 | -73.5 | -109.2 | 0 | 0 | 0 | 109.7 | L4 Q21 L22 V24 L42 V55 L56 R73 | L4-Y71 HydrophobicContact CD1-CE2 4.47Å; L4-Y71 WeakPolarHBondContact CD1-OH 3.29Å; Q21-Y71 CarbonylContact C-O 3.56Å; Q21-Y71 WeakPolarHBondContact CA-O 3.4Å; L22-Y71 PolarHBondContact N-O 3.11Å; L22-Y71 PolarHBondContact O-N 3.29Å; V24-Y71 HydrophobicContact CB-CD2 3.65Å; V24-Y71 HydrophobicContact CB-CE2 3.72Å; V24-Y71 HydrophobicContact CG1-CD2 4.28Å; V24-Y71 HydrophobicContact CG1-CE2 3.91Å; V24-Y71 HydrophobicContact CG2-CD2 3.43Å; V24-Y71 VanDerWaalsContact CG2-CD2 3.43Å; V24-Y71 HydrophobicContact CG2-CE2 3.95Å; V24-Y71 HydrophobicContact CG2-CG 4.11Å; L42-Y71 HydrophobicContact CB-CD1 3.58Å; L42-Y71 HydrophobicContact CB-CE1 3.64Å; L42-Y71 HydrophobicContact CB-CG 4.34Å; L42-Y71 HydrophobicContact CD2-CD1 4.49Å; L42-Y71 HydrophobicContact CD2-CG 4.46Å; V55-Y71 CarbonylContact O-C 3.48Å; V55-Y71 VanDerWaalsContact O-CA 3.22Å; V55-Y71 WeakPolarHBondContact O-CA 3.5Å; L56-Y71 VanDerWaalsContact CA-CD1 3.47Å; L56-Y71 HydrophobicContact CB-CD1 4.04Å; L56-Y71 HydrophobicContact CB-CE1 3.57Å; L56-Y71 HydrophobicContact CD1-CD2 4.05Å; L56-Y71 HydrophobicContact CD1-CE1 4.27Å; L56-Y71 HydrophobicContact CD1-CE2 3.64Å; L56-Y71 HydrophobicContact CG-CE1 4.48Å; Y71-R73 PolarHBondContact O-N 2.81Å |
| 72 | A | 95.2 | Very high | 91.8 | Very high | 23 Ų | 23 | 65.5 Ų | 65.5 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 127.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | G54 V55 L74 Y77 | G54-A72 CarbonylContact C-O 3.58Å; G54-A72 WeakPolarHBondContact CA-O 3.24Å; V55-A72 PolarHBondContact N-O 2.96Å; V55-A72 VanDerWaalsContact N-O 3.14Å; V55-A72 PolarHBondContact O-N 3.23Å; A72-L74 PolarHBondContact O-N 2.82Å; A72-Y77 HydrophobicContact CB-CE2 4.39Å |
| 73 | R | 95.3 | Very high | 92.5 | Very high | 71 Ų | 71 | 67.1 Ų | 67.1 | 27% | 0.268 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 105.8 | -178.1 | -177.4 | -175.3 | -67.4 | -129.6 | 1.2 | 109.9 | G19 R20 Q21 L22 Y71 S75 A76 Y77 | G19-R73 WeakPolarHBondContact O-CD 3.29Å; R20-R73 WeakPolarHBondContact O-CB 3.39Å; R20-R73 PolarHBondContact O-N 2.84Å; Q21-R73 PolarHBondContact O-NE 3.02Å; Q21-R73 PolarHBondContact O-NH2 3.21Å; L22-R73 HydrophobicContact CD1-CB 4.46Å; L22-R73 HydrophobicContact CD1-CG 4.37Å; L22-R73 HydrophobicContact CD2-CG 4.17Å; L22-R73 HydrophobicContact CG-CB 3.96Å; L22-R73 HydrophobicContact CG-CG 4.04Å; Y71-R73 PolarHBondContact O-N 2.81Å; R73-S75 VanDerWaalsContact C-N 3.26Å; R73-S75 WeakPolarHBondContact CD-OG 3.46Å; R73-S75 WeakPolarHBondContact CG-OG 3.3Å; R73-S75 PolarHBondContact O-N 3.33Å; R73-S75 VanDerWaalsContact O-N 3.16Å; R73-A76 HydrophobicContact CB-CB 4.25Å; R73-A76 HydrophobicContact CG-CB 4.42Å; R73-A76 WeakPolarHBondContact O-CB 3.5Å; R73-A76 PolarHBondContact O-N 3.43Å; R73-Y77 VanDerWaalsContact O-CD2 3.22Å; R73-Y77 WeakPolarHBondContact O-CD2 3.39Å |
| 74 | L | 96.8 | Very high | 93.1 | Very high | 47 Ų | 47 | 67.2 Ų | 67.2 | 25% | 0.246 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -56.8 | -37.2 | -173.9 | -76.9 | 171.8 | 0 | 0 | 0 | 113.5 | A52 L53 V55 A72 A76 Y77 G78 I81 | A52-L74 HydrophobicContact CB-CD1 3.62Å; A52-L74 WeakPolarHBondContact O-CD1 3.39Å; L53-L74 WeakPolarHBondContact O-CB 3.49Å; L53-L74 PolarHBondContact O-N 2.74Å; V55-L74 HydrophobicContact CG2-CD1 4.49Å; V55-L74 HydrophobicContact CG2-CD2 3.94Å; V55-L74 HydrophobicContact CG2-CG 4.32Å; A72-L74 PolarHBondContact O-N 2.82Å; L74-A76 PolarHBondContact O-N 3.41Å; L74-Y77 PolarHBondContact O-N 3.27Å; L74-G78 PolarHBondContact O-N 3.41Å; L74-I81 HydrophobicContact CD2-CD1 3.89Å |
| 75 | S | 95.8 | Very high | 93.7 | Very high | 97 Ų | 97 | 69 Ų | 69 | 68% | 0.678 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -62.4 | -24 | 177.7 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | R73 Y77 | R73-S75 VanDerWaalsContact C-N 3.26Å; R73-S75 WeakPolarHBondContact CD-OG 3.46Å; R73-S75 WeakPolarHBondContact CG-OG 3.3Å; R73-S75 PolarHBondContact O-N 3.33Å; R73-S75 VanDerWaalsContact O-N 3.16Å; S75-Y77 PolarHBondContact O-N 3.05Å |
| 76 | A | 96 | Very high | 94.4 | Very high | 34 Ų | 34 | 68.4 Ų | 68.4 | 28% | 0.281 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -78 | -8.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | G19 R20 R73 L74 | G19-A76 VanDerWaalsContact O-CB 3.26Å; G19-A76 WeakPolarHBondContact O-CB 3.32Å; R20-A76 HydrophobicContact CB-CB 4.37Å; R20-A76 HydrophobicContact CG-CB 4.29Å; R73-A76 HydrophobicContact CB-CB 4.25Å; R73-A76 HydrophobicContact CG-CB 4.42Å; R73-A76 WeakPolarHBondContact O-CB 3.5Å; R73-A76 PolarHBondContact O-N 3.43Å; L74-A76 PolarHBondContact O-N 3.41Å |
| 77 | Y | 96.7 | Very high | 95.1 | Very high | 61 Ų | 61 | 67.4 Ų | 67.4 | 24% | 0.239 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -119.6 | 14.6 | -179.2 | -60.7 | -98.9 | 0 | 0 | 0 | 112.2 | R20 A72 R73 L74 S75 D79 W80 I81 | R20-Y77 HydrophobicContact CB-CE2 4.39Å; R20-Y77 PolarHBondContact NE-OH 2.96Å; R20-Y77 VanDerWaalsContact NH2-CZ 3.33Å; R20-Y77 PolarHBondContact NH2-OH 3.37Å; A72-Y77 HydrophobicContact CB-CE2 4.39Å; R73-Y77 VanDerWaalsContact O-CD2 3.22Å; R73-Y77 WeakPolarHBondContact O-CD2 3.39Å; L74-Y77 PolarHBondContact O-N 3.27Å; S75-Y77 PolarHBondContact O-N 3.05Å; Y77-D79 VanDerWaalsContact C-N 3.34Å; Y77-D79 PolarHBondContact O-N 3.32Å; Y77-W80 PolarHBondContact O-N 2.8Å; Y77-W80 VanDerWaalsContact O-N 3.15Å; Y77-I81 VanDerWaalsContact O-CG1 3.3Å; Y77-I81 WeakPolarHBondContact O-CG1 3.03Å; Y77-I81 PolarHBondContact O-N 3.22Å |
| 78 | G | 96.2 | Very high | 95.5 | Very high | 25 Ų | 25 | 69 Ų | 69 | 26% | 0.258 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -53.7 | -45.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L74 W80 I81 N82 | L74-G78 PolarHBondContact O-N 3.41Å; G78-W80 PolarHBondContact O-N 2.82Å; G78-I81 PolarHBondContact O-N 2.94Å; G78-N82 WeakPolarHBondContact O-CB 3.45Å; G78-N82 VanDerWaalsContact O-CG 3.22Å; G78-N82 PolarHBondContact O-N 2.86Å; G78-N82 PolarHBondContact O-ND2 2.9Å |
| 79 | D | 97.8 | Very high | 95.7 | Very high | 130 Ų | 130 | 75.1 Ų | 75.1 | 70% | 0.695 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.6 | -45.2 | 178.9 | -64.2 | -20.2 | 0 | 0 | 0 | 112.1 | Y77 N82 N83 | Y77-D79 VanDerWaalsContact C-N 3.34Å; Y77-D79 PolarHBondContact O-N 3.32Å; D79-N82 PolarHBondContact O-N 3.36Å; D79-N83 WeakPolarHBondContact O-CB 3.09Å; D79-N83 PolarHBondContact O-N 3.25Å; D79-N83 PolarHBondContact O-ND2 3.41Å |
| 80 | W | 97.8 | Very high | 95.8 | Very high | 167 Ų | 167 | 80.7 Ų | 80.7 | 63% | 0.633 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63 | -46.6 | 177.3 | 169.8 | 73.4 | 0 | 0 | 0 | 111.1 | Y77 G78 N82 N83 S84 | Y77-W80 PolarHBondContact O-N 2.8Å; Y77-W80 VanDerWaalsContact O-N 3.15Å; G78-W80 PolarHBondContact O-N 2.82Å; W80-N82 PolarHBondContact O-N 2.89Å; W80-N83 PolarHBondContact O-N 2.83Å; W80-S84 PolarHBondContact NE1-OG 2.93Å; W80-S84 WeakPolarHBondContact O-CB 3.45Å; W80-S84 PolarHBondContact O-N 3.45Å; W80-S84 PolarHBondContact O-OG 2.85Å; W80-S84 VanDerWaalsContact O-OG 3.13Å |
| 81 | I | 97.4 | Very high | 95.6 | Very high | 51 Ų | 51 | 82.5 Ų | 82.5 | 26% | 0.262 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.5 | -50.5 | 178.1 | -67.2 | 167.2 | 0 | 0 | 0 | 110 | L74 Y77 G78 N83 S84 M85 | L74-I81 HydrophobicContact CD2-CD1 3.89Å; Y77-I81 VanDerWaalsContact O-CG1 3.3Å; Y77-I81 WeakPolarHBondContact O-CG1 3.03Å; Y77-I81 PolarHBondContact O-N 3.22Å; G78-I81 PolarHBondContact O-N 2.94Å; I81-N83 PolarHBondContact O-N 2.83Å; I81-S84 PolarHBondContact O-N 2.82Å; I81-M85 HydrophobicContact CG2-CG 4.24Å; I81-M85 WeakPolarHBondContact O-CB 3.43Å; I81-M85 WeakPolarHBondContact O-CG 3.42Å; I81-M85 PolarHBondContact O-N 3.2Å |
| 82 | N | 97.5 | Very high | 95.3 | Very high | 108 Ų | 108 | 86.9 Ų | 86.9 | 58% | 0.578 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.6 | -42.9 | -178.1 | -71.8 | -26.8 | 0 | 0 | 0 | 112 | G78 D79 W80 M85 E86 | G78-N82 WeakPolarHBondContact O-CB 3.45Å; G78-N82 VanDerWaalsContact O-CG 3.22Å; G78-N82 PolarHBondContact O-N 2.86Å; G78-N82 PolarHBondContact O-ND2 2.9Å; D79-N82 PolarHBondContact O-N 3.36Å; W80-N82 PolarHBondContact O-N 2.89Å; N82-M85 PolarHBondContact O-N 2.86Å; N82-E86 PolarHBondContact O-N 3.42Å |
| 83 | N | 97.9 | Very high | 94.5 | Very high | 109 Ų | 109 | 94.7 Ų | 94.7 | 58% | 0.583 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64 | -46.5 | 176.2 | -70.3 | -20.6 | 0 | 0 | 0 | 111.2 | D79 W80 I81 M85 E86 E87 | D79-N83 WeakPolarHBondContact O-CB 3.09Å; D79-N83 PolarHBondContact O-N 3.25Å; D79-N83 PolarHBondContact O-ND2 3.41Å; W80-N83 PolarHBondContact O-N 2.83Å; I81-N83 PolarHBondContact O-N 2.83Å; N83-M85 VanDerWaalsContact C-N 3.31Å; N83-M85 PolarHBondContact O-N 2.97Å; N83-E86 PolarHBondContact O-N 3.12Å; N83-E87 WeakPolarHBondContact O-CG 3.35Å; N83-E87 PolarHBondContact O-N 2.88Å |
| 84 | S | 97.1 | Very high | 93.5 | Very high | 39 Ų | 39 | 96.1 Ų | 96.1 | 27% | 0.273 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 176.1 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | W80 I81 E87 L88 | W80-S84 PolarHBondContact NE1-OG 2.93Å; W80-S84 WeakPolarHBondContact O-CB 3.45Å; W80-S84 PolarHBondContact O-N 3.45Å; W80-S84 PolarHBondContact O-OG 2.85Å; W80-S84 VanDerWaalsContact O-OG 3.13Å; I81-S84 PolarHBondContact O-N 2.82Å; S84-E87 PolarHBondContact O-N 3.08Å; S84-L88 WeakPolarHBondContact O-CB 3.31Å; S84-L88 VanDerWaalsContact O-CG 3.23Å; S84-L88 WeakPolarHBondContact O-CG 3.49Å; S84-L88 PolarHBondContact O-N 3.38Å |
| 85 | M | 96.4 | Very high | 92.1 | Very high | 120 Ų | 120 | 98.1 Ų | 98.1 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.7 | -39.6 | 176.2 | -71.7 | -61.3 | -63.7 | 0 | 0 | 112.1 | I81 N82 N83 L88 R89 | I81-M85 HydrophobicContact CG2-CG 4.24Å; I81-M85 WeakPolarHBondContact O-CB 3.43Å; I81-M85 WeakPolarHBondContact O-CG 3.42Å; I81-M85 PolarHBondContact O-N 3.2Å; N82-M85 PolarHBondContact O-N 2.86Å; N83-M85 VanDerWaalsContact C-N 3.31Å; N83-M85 PolarHBondContact O-N 2.97Å; M85-L88 PolarHBondContact O-N 2.91Å; M85-R89 WeakPolarHBondContact O-CB 3.37Å; M85-R89 PolarHBondContact O-N 3.23Å |
| 86 | E | 96.3 | Very high | 90.7 | Very high | 69 Ų | 69 | 102.1 Ų | 102.1 | 32% | 0.322 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.4 | -38.7 | 177 | 178.3 | 60.2 | -172.9 | 0 | 0 | 112.3 | N82 N83 R89 K90 | N82-E86 PolarHBondContact O-N 3.42Å; N83-E86 PolarHBondContact O-N 3.12Å; E86-R89 WeakPolarHBondContact O-CB 3.07Å; E86-R89 PolarHBondContact O-N 2.93Å; E86-R89 IonicContact OE1-CZ 2.79Å; E86-R89 IonicContact OE1-NE 4Å; E86-R89 IonicContact OE1-NH2 3.61Å; E86-R89 PolarHBondContact OE1-NH2 2.88Å; E86-R89 IonicContact OE2-CZ 2.83Å; E86-R89 IonicContact OE2-NE 2.72Å; E86-R89 PolarHBondContact OE2-NE 2.99Å; E86-R89 IonicContact OE2-NH2 3.47Å; E86-R89 PolarHBondContact OE2-NH2 3.47Å; E86-K90 WeakPolarHBondContact O-CG 3.44Å; E86-K90 PolarHBondContact O-N 3.46Å; E86-K90 WeakPolarHBondContact OE1-CE 3.49Å; E86-K90 IonicContact OE1-NZ 3.36Å; E86-K90 PolarHBondContact OE1-NZ 3.24Å; E86-K90 VanDerWaalsContact OE1-NZ 3.16Å |
| 87 | E | 95.6 | Very high | 89.2 | Confident | 115 Ų | 115 | 107.2 Ų | 107.2 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 173.9 | -67.5 | -52.2 | 114.8 | 0 | 0 | 111.4 | N83 S84 R89 K90 A91 | N83-E87 WeakPolarHBondContact O-CG 3.35Å; N83-E87 PolarHBondContact O-N 2.88Å; S84-E87 PolarHBondContact O-N 3.08Å; E87-R89 VanDerWaalsContact C-N 3.25Å; E87-R89 PolarHBondContact O-N 3.29Å; E87-K90 PolarHBondContact O-N 3.41Å; E87-K90 VanDerWaalsContact O-N 3.11Å; E87-K90 IonicContact OE1-NZ 3.16Å; E87-A91 PolarHBondContact O-N 2.7Å |
| 88 | L | 93.3 | Very high | 87.3 | Confident | 122 Ų | 122 | 109 Ų | 109 | 64% | 0.639 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.2 | -34 | 174.8 | -74.1 | 172.8 | 0 | 0 | 0 | 112.4 | S84 M85 K90 A91 | S84-L88 WeakPolarHBondContact O-CB 3.31Å; S84-L88 VanDerWaalsContact O-CG 3.23Å; S84-L88 WeakPolarHBondContact O-CG 3.49Å; S84-L88 PolarHBondContact O-N 3.38Å; M85-L88 PolarHBondContact O-N 2.91Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.06Å; L88-A91 PolarHBondContact O-N 3.21Å |
| 89 | R | 92.9 | Very high | 85.6 | Confident | 165 Ų | 165 | 115.8 Ų | 115.8 | 62% | 0.623 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.1 | -32.1 | 176.1 | -169.3 | -171 | 66.1 | 73.3 | -1.8 | 112.7 | M85 E86 E87 | M85-R89 WeakPolarHBondContact O-CB 3.37Å; M85-R89 PolarHBondContact O-N 3.23Å; E86-R89 WeakPolarHBondContact O-CB 3.07Å; E86-R89 PolarHBondContact O-N 2.93Å; E86-R89 IonicContact OE1-CZ 2.79Å; E86-R89 IonicContact OE1-NE 4Å; E86-R89 IonicContact OE1-NH2 3.61Å; E86-R89 PolarHBondContact OE1-NH2 2.88Å; E86-R89 IonicContact OE2-CZ 2.83Å; E86-R89 IonicContact OE2-NE 2.72Å; E86-R89 PolarHBondContact OE2-NE 2.99Å; E86-R89 IonicContact OE2-NH2 3.47Å; E86-R89 PolarHBondContact OE2-NH2 3.47Å; E87-R89 VanDerWaalsContact C-N 3.25Å; E87-R89 PolarHBondContact O-N 3.29Å |
| 90 | K | 93.2 | Very high | 83.9 | Confident | 117 Ų | 117 | 118.8 Ų | 118.8 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -90.8 | -15.9 | 179 | -64.5 | 172.6 | -166.1 | 152.9 | 0 | 113.2 | E86 E87 L88 | E86-K90 WeakPolarHBondContact O-CG 3.44Å; E86-K90 PolarHBondContact O-N 3.46Å; E86-K90 WeakPolarHBondContact OE1-CE 3.49Å; E86-K90 IonicContact OE1-NZ 3.36Å; E86-K90 PolarHBondContact OE1-NZ 3.24Å; E86-K90 VanDerWaalsContact OE1-NZ 3.16Å; E87-K90 PolarHBondContact O-N 3.41Å; E87-K90 VanDerWaalsContact O-N 3.11Å; E87-K90 IonicContact OE1-NZ 3.16Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.06Å |
| 91 | A | 88.6 | Confident | 82.1 | Confident | 55 Ų | 55 | 116.2 Ų | 116.2 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -58.5 | 131.8 | -177 | 0 | 0 | 0 | 0 | 0 | 110.3 | E87 L88 Y93 | E87-A91 PolarHBondContact O-N 2.7Å; L88-A91 PolarHBondContact O-N 3.21Å; A91-Y93 PolarHBondContact O-N 3.37Å |
| 92 | P | 87.5 | Confident | 80.5 | Confident | 100 Ų | 100 | 118 Ų | 118 | 65% | 0.649 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 135.9 | 174.9 | 25.3 | -31.5 | 0 | 0 | 0 | 109.3 | Q94 | P92-Q94 PolarHBondContact O-N 3.5Å; P92-Q94 PolarHBondContact O-NE2 3.02Å |
| 93 | Y | 79.4 | Confident | 79.3 | Confident | 187 Ų | 187 | 114.1 Ų | 114.1 | 73% | 0.733 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 126.3 | 176.8 | -170.8 | -84.6 | 0 | 0 | 0 | 109.4 | A91 T95 | A91-Y93 PolarHBondContact O-N 3.37Å; Y93-T95 HydrophobicContact CD1-CG2 3.32Å; Y93-T95 WeakPolarHBondContact CD1-OG1 3.33Å; Y93-T95 HydrophobicContact CE1-CG2 3.08Å; Y93-T95 PolarHBondContact O-N 3.17Å; Y93-T95 VanDerWaalsContact O-N 3.08Å |
| 94 | Q | 73.8 | Confident | 77.9 | Confident | 101 Ų | 101 | 112.4 Ų | 112.4 | 47% | 0.472 | 57% | 0.568 | S | S | . | * | trans | -84 | 33.3 | -173.5 | -61.7 | -64.7 | -64.8 | 0 | 0 | 112.8 | P92 E96 H97 T98 | P92-Q94 PolarHBondContact O-N 3.5Å; P92-Q94 PolarHBondContact O-NE2 3.02Å; Q94-E96 PolarHBondContact O-N 3.23Å; Q94-E96 VanDerWaalsContact O-N 3.13Å; Q94-H97 HydrophobicContact CB-CB 4.33Å; Q94-H97 CarbonylContact O-C 3.45Å; Q94-H97 PolarHBondContact O-N 3.15Å; Q94-H97 PolarHBondContact OE1-CD2 3.46Å; Q94-H97 VanDerWaalsContact OE1-CD2 3.23Å; Q94-T98 PolarHBondContact O-N 2.03Å | ||
| 95 | T | 66.5 | Low | 76.8 | Confident | 88 Ų | 88 | 118.1 Ų | 118.1 | 54% | 0.54 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.1 | -38 | -179.6 | 21.1 | 0 | 0 | 0 | 0 | 111.6 | Y93 H97 T98 | Y93-T95 HydrophobicContact CD1-CG2 3.32Å; Y93-T95 WeakPolarHBondContact CD1-OG1 3.33Å; Y93-T95 HydrophobicContact CE1-CG2 3.08Å; Y93-T95 PolarHBondContact O-N 3.17Å; Y93-T95 VanDerWaalsContact O-N 3.08Å; T95-H97 VanDerWaalsContact C-N 3.33Å; T95-T98 PolarHBondContact O-OG1 3.11Å |
| 96 | E | 67.2 | Low | 75.2 | Confident | 182 Ų | 182 | 114.7 Ų | 114.7 | 85% | 0.85 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -13 | -175.3 | -61.9 | -174.3 | -178.7 | 0 | 0 | 112.5 | Q94 | Q94-E96 PolarHBondContact O-N 3.23Å; Q94-E96 VanDerWaalsContact O-N 3.13Å |
| 97 | H | 63.7 | Low | 73.5 | Confident | 141 Ų | 141 | 115.4 Ų | 115.4 | 65% | 0.653 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -1.5 | 178.5 | -69.6 | -65.2 | 0 | 0 | 0 | 113.7 | Q94 T95 Q99 | Q94-H97 HydrophobicContact CB-CB 4.33Å; Q94-H97 CarbonylContact O-C 3.45Å; Q94-H97 PolarHBondContact O-N 3.15Å; Q94-H97 PolarHBondContact OE1-CD2 3.46Å; Q94-H97 VanDerWaalsContact OE1-CD2 3.23Å; T95-H97 VanDerWaalsContact C-N 3.33Å; H97-Q99 VanDerWaalsContact C-N 3.28Å; H97-Q99 PolarHBondContact O-N 3.19Å |
| 98 | T | 57.8 | Low | 71.8 | Confident | 99 Ų | 99 | 115.4 Ų | 115.4 | 61% | 0.607 | 58% | 0.577 | S | S | * | * | trans | -63.6 | 97.3 | 164.5 | 31.7 | 0 | 0 | 0 | 0 | 107.8 | Q94 T95 E100 | Q94-T98 PolarHBondContact O-N 2.03Å; T95-T98 PolarHBondContact O-OG1 3.11Å; T98-E100 PolarHBondContact O-N 2.73Å | ||
| 99 | Q | 60.7 | Low | 70.1 | Confident | 167 Ų | 167 | 119 Ų | 119 | 78% | 0.78 | 58% | 0.582 | S | S | * | * | trans | -50.8 | 125.9 | 156.2 | -68.5 | -178.7 | -10.6 | 0 | 0 | 106.1 | H97 E101 | H97-Q99 VanDerWaalsContact C-N 3.28Å; H97-Q99 PolarHBondContact O-N 3.19Å; Q99-E101 PolarHBondContact O-N 3.03Å | ||
| 100 | E | 61.1 | Low | 68.4 | Low | 193 Ų | 193 | 116.1 Ų | 116.1 | 90% | 0.902 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -36 | 125.6 | 172.5 | -158.8 | 171.3 | -155.1 | 0 | 0 | 109.1 | T98 S102 | T98-E100 PolarHBondContact O-N 2.73Å; E100-S102 PolarHBondContact O-N 2.89Å |
| 101 | E | 61 | Low | 66.3 | Low | 112 Ų | 112 | 121 Ų | 121 | 52% | 0.523 | 60% | 0.598 | S | S | . | * | trans | -34 | 108.2 | -165 | -68.2 | -171.2 | 169.1 | 0 | 0 | 112 | Q99 G103 S128 | Q99-E101 PolarHBondContact O-N 3.03Å; E101-G103 PolarHBondContact O-N 2.93Å; E101-G103 VanDerWaalsContact O-N 3.12Å; E101-S128 WeakPolarHBondContact OE2-CB 3.5Å; E101-S128 PolarHBondContact OE2-OG 2.74Å | ||
| 102 | S | 64 | Low | 64.5 | Low | 88 Ų | 88 | 124.7 Ų | 124.7 | 62% | 0.615 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 122.5 | 178.3 | 2 | 0 | 0 | 0 | 0 | 107.7 | E100 I104 | E100-S102 PolarHBondContact O-N 2.89Å; S102-I104 PolarHBondContact O-N 3.36Å |
| 103 | G | 70.6 | Confident | 62.7 | Low | 27 Ų | 27 | 126.1 Ų | 126.1 | 28% | 0.278 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -57.6 | 128.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | E101 T125 | E101-G103 PolarHBondContact O-N 2.93Å; E101-G103 VanDerWaalsContact O-N 3.12Å; G103-T125 CarbonylContact C-O 3.37Å; G103-T125 WeakPolarHBondContact CA-O 3.16Å |
| 104 | I | 69.3 | Low | 61.5 | Low | 73 Ų | 73 | 121.3 Ų | 121.3 | 37% | 0.374 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82 | 123.7 | 170 | -60.1 | 179.9 | 0 | 0 | 0 | 107.2 | S102 I106 T125 L130 | S102-I104 PolarHBondContact O-N 3.36Å; I104-I106 HydrophobicContact CG2-CG1 4.44Å; I104-I106 PolarHBondContact O-N 2.78Å; I104-T125 PolarHBondContact N-O 2.92Å; I104-T125 PolarHBondContact O-N 3.28Å; I104-T125 VanDerWaalsContact O-N 3.13Å; I104-L130 HydrophobicContact CB-CD2 4.17Å; I104-L130 HydrophobicContact CD1-CD2 3.75Å; I104-L130 HydrophobicContact CG2-CD2 3.76Å |
| 105 | Y | 73.3 | Confident | 60.4 | Low | 160 Ų | 160 | 123.3 Ų | 123.3 | 63% | 0.627 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.4 | 105.2 | 168.4 | -87.6 | -86.6 | 0 | 0 | 0 | 109 | P107 L124 | Y105-P107 WeakPolarHBondContact O-CD 3.26Å; Y105-L124 HydrophobicContact CD1-CD1 3.86Å; Y105-L124 HydrophobicContact CD2-CD1 3.69Å; Y105-L124 HydrophobicContact CE1-CD1 3.47Å; Y105-L124 VanDerWaalsContact CE1-CD1 3.47Å; Y105-L124 HydrophobicContact CE2-CD1 3.29Å; Y105-L124 HydrophobicContact CG-CD1 3.97Å |
| 106 | I | 64.4 | Low | 59.5 | Low | 48 Ų | 48 | 127.8 Ų | 127.8 | 25% | 0.246 | 66% | 0.655 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.7 | 116 | 169.2 | -53.8 | 169 | 0 | 0 | 0 | 106.9 | I104 K108 T125 L130 | I104-I106 HydrophobicContact CG2-CG1 4.44Å; I104-I106 PolarHBondContact O-N 2.78Å; I106-K108 PolarHBondContact O-N 2.77Å; I106-T125 HydrophobicContact CD1-CG2 4Å; I106-L130 HydrophobicContact CD1-CB 4.16Å; I106-L130 HydrophobicContact CD1-CD1 3.62Å; I106-L130 HydrophobicContact CD1-CD2 4.29Å; I106-L130 HydrophobicContact CD1-CG 4.21Å; I106-L130 HydrophobicContact CG1-CD1 4.22Å; I106-L130 HydrophobicContact CG1-CD2 4.2Å |
| 107 | P | 60.2 | Low | 58.9 | Low | 83 Ų | 83 | 126.8 Ų | 126.8 | 54% | 0.539 | 64% | 0.644 | S | S | . | * | trans | -62.4 | 113.6 | 165.2 | 25.8 | -29.6 | 0 | 0 | 0 | 107.1 | Y105 R109 | Y105-P107 WeakPolarHBondContact O-CD 3.26Å; P107-R109 PolarHBondContact O-N 3.48Å | ||
| 108 | K | 60.2 | Low | 58 | Low | 116 Ų | 116 | 124.9 Ų | 124.9 | 50% | 0.504 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -55.5 | -19.1 | -178.7 | -89.1 | -174.1 | 165.5 | 167.6 | 0 | 113.6 | I106 E123 | I106-K108 PolarHBondContact O-N 2.77Å; K108-E123 HydrophobicContact CD-CB 3.96Å; K108-E123 VanDerWaalsContact CE-CB 3.45Å; K108-E123 WeakPolarHBondContact CE-OE2 2.95Å; K108-E123 HydrophobicContact CG-CB 4.19Å; K108-E123 IonicContact NZ-OE1 3.5Å; K108-E123 PolarHBondContact NZ-OE1 3.34Å; K108-E123 IonicContact NZ-OE2 2.78Å; K108-E123 PolarHBondContact NZ-OE2 3.09Å |
| 109 | R | 57.1 | Low | 57.3 | Low | 196 Ų | 196 | 124.3 Ų | 124.3 | 74% | 0.74 | 66% | 0.66 | S | S | * | * | trans | -151.2 | 122.4 | 179.7 | -63.4 | -174.3 | 178.5 | 166 | -2.1 | 112.2 | P107 | P107-R109 PolarHBondContact O-N 3.48Š| ||
| 110 | T | 56.6 | Low | 56.6 | Low | 106 Ų | 106 | 120.1 Ų | 120.1 | 65% | 0.65 | 66% | 0.662 | S | S | * | * | trans | -76.6 | 145.5 | 163.2 | 33.9 | 0 | 0 | 0 | 0 | 110.3 | M112 | T110-M112 PolarHBondContact O-N 2.67Š| ||
| 111 | R | 49.3 | Very low | 56.2 | Low | 218 Ų | 218 | 120 Ų | 120 | 82% | 0.823 | 66% | 0.661 | S | S | * | * | trans | -65.4 | 101 | 175.1 | -175 | -178.3 | -176.5 | -180 | 0.4 | 109.8 | W117 | R111-W117 HydrophobicContact CB-CH2 4.3Å; R111-W117 HydrophobicContact CB-CZ2 4.31Å; R111-W117 HydrophobicContact CG-CH2 4.35Å; R111-W117 HydrophobicContact CG-CZ2 3.87Å | ||
| 112 | M | 50.5 | Low | 56 | Low | 134 Ų | 134 | 121.8 Ų | 121.8 | 66% | 0.66 | 67% | 0.67 | S | S | * | * | trans | -84.7 | 125.1 | 164.7 | -66.4 | -151.1 | -179.3 | 0 | 0 | 109.3 | T110 G114 | T110-M112 PolarHBondContact O-N 2.67Å; M112-G114 PolarHBondContact O-N 2.79Å | ||
| 113 | P | 50.6 | Low | 56.2 | Low | 129 Ų | 129 | 122 Ų | 122 | 84% | 0.838 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | 133.7 | 176.3 | -23.8 | 33.6 | 0 | 0 | 0 | 111.8 | ||
| 114 | G | 53.3 | Low | 56.1 | Low | 86 Ų | 86 | 125.2 Ų | 125.2 | 89% | 0.887 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102 | -2.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | M112 | M112-G114 PolarHBondContact O-N 2.79Š|
| 115 | M | 50.5 | Low | 56.1 | Low | 144 Ų | 144 | 123 Ų | 123 | 71% | 0.709 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 135.8 | 178.2 | -142.2 | 159.5 | 76.2 | 0 | 0 | 111.8 | W117 | M115-W117 PolarHBondContact O-NE1 2.82Š|
| 116 | L | 47.4 | Very low | 56.1 | Low | 182 Ų | 182 | 120.7 Ų | 120.7 | 95% | 0.953 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 132.8 | 177.5 | -91.5 | 118.9 | 0 | 0 | 0 | 111.4 | ||
| 117 | W | 55 | Low | 56.3 | Low | 161 Ų | 161 | 118.9 Ų | 118.9 | 61% | 0.61 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 146.8 | -156.5 | -67 | 79.3 | 0 | 0 | 0 | 115.1 | R111 M115 | R111-W117 HydrophobicContact CB-CH2 4.3Å; R111-W117 HydrophobicContact CB-CZ2 4.31Å; R111-W117 HydrophobicContact CG-CH2 4.35Å; R111-W117 HydrophobicContact CG-CZ2 3.87Å; M115-W117 PolarHBondContact O-NE1 2.82Å |
| 118 | S | 45.4 | Very low | 56.9 | Low | 101 Ų | 101 | 117 Ų | 117 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | trans | -129.9 | 128.8 | 153 | 53.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 119 | G | 42.5 | Very low | 57.4 | Low | 86 Ų | 86 | 113.9 Ų | 113.9 | 89% | 0.887 | 63% | 0.631 | S | S | * | * | trans | -67 | 148.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 120 | G | 47 | Very low | 58.1 | Low | 80 Ų | 80 | 106.2 Ų | 106.2 | 83% | 0.825 | 60% | 0.604 | S | S | * | * | trans | -148.2 | 152.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 121 | Q | 51.7 | Low | 58.9 | Low | 189 Ų | 189 | 106.2 Ų | 106.2 | 88% | 0.883 | 60% | 0.599 | S | S | * | * | trans | -82.8 | 154.8 | -176.1 | -72 | 173 | -39.6 | 0 | 0 | 113.3 | ||||
| 122 | Q | 57.7 | Low | 60 | Low | 151 Ų | 151 | 97.5 Ų | 97.5 | 71% | 0.706 | 57% | 0.574 | S | S | * | * | trans | -66.2 | 151.1 | 178.2 | -64.6 | 170.7 | -11.9 | 0 | 0 | 111.9 | ||||
| 123 | E | 68.6 | Low | 61 | Low | 92 Ų | 92 | 96.3 Ų | 96.3 | 43% | 0.43 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.1 | 133.5 | 174.6 | -172.6 | 169.8 | -100.5 | 0 | 0 | 110.8 | K108 | K108-E123 HydrophobicContact CD-CB 3.96Å; K108-E123 VanDerWaalsContact CE-CB 3.45Å; K108-E123 WeakPolarHBondContact CE-OE2 2.95Å; K108-E123 HydrophobicContact CG-CB 4.19Å; K108-E123 IonicContact NZ-OE1 3.5Å; K108-E123 PolarHBondContact NZ-OE1 3.34Å; K108-E123 IonicContact NZ-OE2 2.78Å; K108-E123 PolarHBondContact NZ-OE2 3.09Å |
| 124 | L | 66.9 | Low | 61.9 | Low | 95 Ų | 95 | 96.8 Ų | 96.8 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.8 | 130.8 | 169.9 | -135.7 | 91.9 | 0 | 0 | 0 | 108.3 | Y105 | Y105-L124 HydrophobicContact CD1-CD1 3.86Å; Y105-L124 HydrophobicContact CD2-CD1 3.69Å; Y105-L124 HydrophobicContact CE1-CD1 3.47Å; Y105-L124 VanDerWaalsContact CE1-CD1 3.47Å; Y105-L124 HydrophobicContact CE2-CD1 3.29Å; Y105-L124 HydrophobicContact CG-CD1 3.97Å |
| 125 | T | 69.3 | Low | 63 | Low | 27 Ų | 27 | 96.3 Ų | 96.3 | 17% | 0.166 | 55% | 0.547 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 141.2 | 173.3 | -59.4 | 0 | 0 | 0 | 0 | 109.1 | G103 I104 I106 G127 | G103-T125 CarbonylContact C-O 3.37Å; G103-T125 WeakPolarHBondContact CA-O 3.16Å; I104-T125 PolarHBondContact N-O 2.92Å; I104-T125 PolarHBondContact O-N 3.28Å; I104-T125 VanDerWaalsContact O-N 3.13Å; I106-T125 HydrophobicContact CD1-CG2 4Å; T125-G127 PolarHBondContact O-N 2.69Å |
| 126 | E | 73.8 | Confident | 63.9 | Low | 110 Ų | 110 | 92.6 Ų | 92.6 | 51% | 0.514 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 139.1 | 172.2 | -74.3 | 177.3 | 170.8 | 0 | 0 | 110.7 | S128 S129 L130 | E126-S128 PolarHBondContact O-N 2.88Å; E126-S129 WeakPolarHBondContact O-CB 2.86Å; E126-S129 PolarHBondContact O-N 3.13Å; E126-S129 VanDerWaalsContact O-N 3.08Å; E126-L130 PolarHBondContact O-N 2.95Å |
| 127 | G | 69 | Low | 64.9 | Low | 10 Ų | 10 | 92.3 Ų | 92.3 | 10% | 0.103 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -59.1 | -37.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T125 S129 L130 I131 | T125-G127 PolarHBondContact O-N 2.69Å; G127-S129 PolarHBondContact O-N 2.99Å; G127-L130 PolarHBondContact O-N 3.42Å; G127-I131 VanDerWaalsContact O-CG1 3.29Å; G127-I131 WeakPolarHBondContact O-CG1 3.41Å; G127-I131 PolarHBondContact O-N 2.71Å |
| 128 | S | 72 | Confident | 65.7 | Low | 45 Ų | 45 | 91.7 Ų | 91.7 | 32% | 0.315 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 173.6 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | E101 E126 I131 A132 | E101-S128 WeakPolarHBondContact OE2-CB 3.5Å; E101-S128 PolarHBondContact OE2-OG 2.74Å; E126-S128 PolarHBondContact O-N 2.88Å; S128-I131 PolarHBondContact O-N 3.28Å; S128-A132 WeakPolarHBondContact O-CB 2.73Å; S128-A132 PolarHBondContact O-N 2.94Å |
| 129 | S | 70.9 | Confident | 66.6 | Low | 50 Ų | 50 | 96.3 Ų | 96.3 | 35% | 0.35 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 175.7 | -72.4 | 0 | 0 | 0 | 0 | 112.4 | E126 G127 L133 | E126-S129 WeakPolarHBondContact O-CB 2.86Å; E126-S129 PolarHBondContact O-N 3.13Å; E126-S129 VanDerWaalsContact O-N 3.08Å; G127-S129 PolarHBondContact O-N 2.99Å; S129-L133 VanDerWaalsContact O-CG 3.3Å; S129-L133 WeakPolarHBondContact O-CG 3.31Å; S129-L133 PolarHBondContact O-N 2.01Å |
| 130 | L | 72.1 | Confident | 67.6 | Low | 34 Ų | 34 | 102.4 Ų | 102.4 | 18% | 0.178 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 173.8 | 175.5 | 60.4 | 0 | 0 | 0 | 111.6 | I104 I106 E126 G127 A132 L133 L134 | I104-L130 HydrophobicContact CB-CD2 4.17Å; I104-L130 HydrophobicContact CD1-CD2 3.75Å; I104-L130 HydrophobicContact CG2-CD2 3.76Å; I106-L130 HydrophobicContact CD1-CB 4.16Å; I106-L130 HydrophobicContact CD1-CD1 3.62Å; I106-L130 HydrophobicContact CD1-CD2 4.29Å; I106-L130 HydrophobicContact CD1-CG 4.21Å; I106-L130 HydrophobicContact CG1-CD1 4.22Å; I106-L130 HydrophobicContact CG1-CD2 4.2Å; E126-L130 PolarHBondContact O-N 2.95Å; G127-L130 PolarHBondContact O-N 3.42Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 2.75Å; L130-L133 PolarHBondContact O-N 3.37Å; L130-L134 HydrophobicContact CD1-CD1 3.93Å; L130-L134 HydrophobicContact CD1-CG 3.9Å; L130-L134 HydrophobicContact CG-CD1 3.95Å; L130-L134 HydrophobicContact CG-CG 4.33Å; L130-L134 WeakPolarHBondContact O-CB 3.28Å; L130-L134 WeakPolarHBondContact O-CG 3.45Å; L130-L134 PolarHBondContact O-N 2.75Å |
| 131 | I | 72.9 | Confident | 68.1 | Low | 106 Ų | 106 | 110.1 Ų | 110.1 | 54% | 0.544 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 178.6 | -68.7 | 164.6 | 0 | 0 | 0 | 110.3 | G127 S128 L134 S135 | G127-I131 VanDerWaalsContact O-CG1 3.29Å; G127-I131 WeakPolarHBondContact O-CG1 3.41Å; G127-I131 PolarHBondContact O-N 2.71Å; S128-I131 PolarHBondContact O-N 3.28Å; I131-L134 PolarHBondContact O-N 3.47Å; I131-S135 VanDerWaalsContact O-CB 3.24Å; I131-S135 WeakPolarHBondContact O-CB 3.32Å; I131-S135 PolarHBondContact O-N 3.39Å; I131-S135 PolarHBondContact O-OG 2.78Å |
| 132 | A | 72.2 | Confident | 68.7 | Low | 35 Ų | 35 | 107.3 Ų | 107.3 | 29% | 0.289 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59 | -49.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S128 L130 L134 S135 G136 Y137 | S128-A132 WeakPolarHBondContact O-CB 2.73Å; S128-A132 PolarHBondContact O-N 2.94Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 2.75Å; A132-L134 PolarHBondContact O-N 3Å; A132-S135 CarbonylContact O-C 3.47Å; A132-S135 PolarHBondContact O-N 3.06Å; A132-G136 PolarHBondContact O-N 2.89Å; A132-Y137 WeakPolarHBondContact O-CA 3.31Å; A132-Y137 WeakPolarHBondContact O-CB 2.94Å; A132-Y137 PolarHBondContact O-N 3.48Å |
| 133 | L | 71.4 | Confident | 69.2 | Low | 110 Ų | 110 | 108.4 Ų | 108.4 | 58% | 0.576 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.9 | -46.8 | 177.3 | -73.9 | 169.7 | 0 | 0 | 0 | 112.4 | S129 L130 S135 G136 | S129-L133 VanDerWaalsContact O-CG 3.3Å; S129-L133 WeakPolarHBondContact O-CG 3.31Å; S129-L133 PolarHBondContact O-N 2.01Å; L130-L133 PolarHBondContact O-N 3.37Å; L133-S135 PolarHBondContact O-N 2.72Å; L133-G136 PolarHBondContact O-N 2.85Å |
| 134 | L | 70.5 | Confident | 69.2 | Low | 138 Ų | 138 | 109.3 Ų | 109.3 | 72% | 0.723 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.9 | -30.8 | 176.9 | -71 | 176 | 0 | 0 | 0 | 112.4 | L130 I131 A132 G136 | L130-L134 HydrophobicContact CD1-CD1 3.93Å; L130-L134 HydrophobicContact CD1-CG 3.9Å; L130-L134 HydrophobicContact CG-CD1 3.95Å; L130-L134 HydrophobicContact CG-CG 4.33Å; L130-L134 WeakPolarHBondContact O-CB 3.28Å; L130-L134 WeakPolarHBondContact O-CG 3.45Å; L130-L134 PolarHBondContact O-N 2.75Å; I131-L134 PolarHBondContact O-N 3.47Å; A132-L134 PolarHBondContact O-N 3Å; L134-G136 PolarHBondContact O-N 3.07Å |
| 135 | S | 75.6 | Confident | 69.3 | Low | 76 Ų | 76 | 110 Ų | 110 | 53% | 0.531 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.4 | 3.9 | 175.8 | -54.5 | 0 | 0 | 0 | 0 | 113.2 | I131 A132 L133 | I131-S135 VanDerWaalsContact O-CB 3.24Å; I131-S135 WeakPolarHBondContact O-CB 3.32Å; I131-S135 PolarHBondContact O-N 3.39Å; I131-S135 PolarHBondContact O-OG 2.78Å; A132-S135 CarbonylContact O-C 3.47Å; A132-S135 PolarHBondContact O-N 3.06Å; L133-S135 PolarHBondContact O-N 2.72Å |
| 136 | G | 69.2 | Low | 69.3 | Low | 66 Ų | 66 | 114.6 Ų | 114.6 | 68% | 0.68 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.6 | 10.8 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | A132 L133 L134 H138 | A132-G136 PolarHBondContact O-N 2.89Å; L133-G136 PolarHBondContact O-N 2.85Å; L134-G136 PolarHBondContact O-N 3.07Å; G136-H138 PolarHBondContact O-N 2.98Å |
| 137 | Y | 70.1 | Confident | 69.1 | Low | 177 Ų | 177 | 114.9 Ų | 114.9 | 69% | 0.694 | 62% | 0.617 | S | S | * | * | trans | -82.5 | 109.3 | 172.7 | -76.1 | -96.1 | 0 | 0 | 0 | 110.2 | A132 | A132-Y137 WeakPolarHBondContact O-CA 3.31Å; A132-Y137 WeakPolarHBondContact O-CB 2.94Å; A132-Y137 PolarHBondContact O-N 3.48Å | ||
| 138 | H | 70.2 | Confident | 69.1 | Low | 148 Ų | 148 | 121.4 Ų | 121.4 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -91 | 140.7 | 165.8 | 64.6 | 2.1 | 0 | 0 | 0 | 110.8 | G136 R140 | G136-H138 PolarHBondContact O-N 2.98Å; H138-R140 PolarHBondContact O-N 2.91Å |
| 139 | K | 66.1 | Low | 68.9 | Low | 197 Ų | 197 | 126.5 Ų | 126.5 | 86% | 0.857 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 120 | 165.5 | -169 | 173.7 | -177.1 | 174.7 | 0 | 107.6 | R141 | K139-R141 PolarHBondContact O-N 3Š|
| 140 | R | 62.8 | Low | 68.7 | Low | 214 Ų | 214 | 132 Ų | 132 | 81% | 0.808 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 131.5 | 170 | -93.5 | -176.3 | 175.6 | 178.7 | -0.6 | 108 | H138 T142 | H138-R140 PolarHBondContact O-N 2.91Å; R140-T142 PolarHBondContact O-N 3.43Å |
| 141 | R | 57.8 | Low | 68.5 | Low | 243 Ų | 243 | 139.5 Ų | 139.5 | 92% | 0.917 | 73% | 0.734 | S | S | * | * | trans | -59.3 | 114.2 | 167.1 | -75.7 | -172.9 | 174.8 | -175.5 | -1.7 | 107.2 | K139 A143 | K139-R141 PolarHBondContact O-N 3Å; R141-A143 PolarHBondContact O-N 2.86Å | ||
| 142 | T | 64.5 | Low | 68.1 | Low | 130 Ų | 130 | 142.3 Ų | 142.3 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | trans | -64.9 | 126.1 | 159.7 | 46.5 | 0 | 0 | 0 | 0 | 106.4 | R140 | R140-T142 PolarHBondContact O-N 3.43Š| ||
| 143 | A | 66.7 | Low | 67.7 | Low | 174 Ų | 174 | 152.1 Ų | 152.1 | 100% | 1.438 | 79% | 0.791 | S | S | * | * | trans | -58.7 | 0 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R141 | R141-A143 PolarHBondContact O-N 2.86Š|
Retrieved 143 of 143 residues in 98.2 ms
(Link to these results)