| 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 | 33 | Very low | 40.2 | Very low | 235 Ų | 235 | 136.7 Ų | 136.7 | 100% | 1.158 | 65% | 0.654 | S | S | * | * | 0 | 98 | 0 | -166.7 | 179.5 | -89.3 | 0 | 0 | 106.8 | R3 | M1-R3 PolarHBondContact O-N 3.14Å; M1-R3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | V | 27.2 | Very low | 41 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 86% | 0.861 | 67% | 0.668 | S | S | * | * | trans | -72 | 106.9 | -179.7 | 178 | 0 | 0 | 0 | 0 | 106.2 | E4 | V2-E4 PolarHBondContact O-N 3.15Å; V2-E4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | R | 40.7 | Very low | 42.1 | Very low | 223 Ų | 223 | 134.3 Ų | 134.3 | 84% | 0.842 | 63% | 0.627 | S | S | * | * | trans | -59.4 | 117 | 166.7 | -76.7 | 178.1 | 153 | 162.6 | -5.3 | 105.5 | M1 V5 | M1-R3 PolarHBondContact O-N 3.14Å; M1-R3 VanDerWaalsContact O-N 3.15Å; R3-V5 VanDerWaalsContact C-N 3.32Å; R3-V5 PolarHBondContact O-N 2.97Å | ||
| 4 | E | 29.4 | Very low | 42.8 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 68% | 0.682 | 64% | 0.637 | S | S | * | * | trans | -50.2 | 103.1 | 169.9 | -81 | 175.3 | 84.9 | 0 | 0 | 107.4 | V2 W6 | V2-E4 PolarHBondContact O-N 3.15Å; V2-E4 VanDerWaalsContact O-N 3.14Å; E4-W6 PolarHBondContact O-N 2.79Å | ||
| 5 | V | 37.2 | Very low | 43.7 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | trans | -75.5 | 90.1 | 167.3 | -179.6 | 0 | 0 | 0 | 0 | 103.4 | R3 Q7 | R3-V5 VanDerWaalsContact C-N 3.32Å; R3-V5 PolarHBondContact O-N 2.97Å; V5-Q7 VanDerWaalsContact C-N 3.26Å; V5-Q7 PolarHBondContact O-N 2.83Å | ||
| 6 | W | 40.1 | Very low | 45.3 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 63% | 0.633 | 62% | 0.617 | S | S | * | * | trans | -57.2 | 99.1 | 167.7 | -66.4 | 79.4 | 0 | 0 | 0 | 105.8 | E4 S8 | E4-W6 PolarHBondContact O-N 2.79Å; W6-S8 PolarHBondContact O-N 3.17Å | ||
| 7 | Q | 44.6 | Very low | 46.7 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 57% | 0.57 | 58% | 0.583 | S | S | * | * | trans | -67.3 | 85.5 | 173.2 | -69.5 | 178.4 | -6.6 | 0 | 0 | 106.8 | V5 H9 | V5-Q7 VanDerWaalsContact C-N 3.26Å; V5-Q7 PolarHBondContact O-N 2.83Å; Q7-H9 PolarHBondContact O-N 2.91Å; Q7-H9 PolarHBondContact O-ND1 2.88Å | ||
| 8 | S | 45.8 | Very low | 47.8 | Very low | 50 Ų | 50 | 120.4 Ų | 120.4 | 35% | 0.35 | 57% | 0.569 | S | S | . | * | trans | -55.9 | 112.3 | 165.7 | -66 | 0 | 0 | 0 | 0 | 106.5 | W6 Y10 E40 | W6-S8 PolarHBondContact O-N 3.17Å; S8-Y10 WeakPolarHBondContact O-CD2 3.42Å; S8-Y10 PolarHBondContact O-N 2.94Å; S8-E40 PolarHBondContact OG-OE1 3.31Å | ||
| 9 | H | 47.8 | Very low | 48.9 | Very low | 103 Ų | 103 | 120.1 Ų | 120.1 | 48% | 0.477 | 56% | 0.561 | S | S | . | * | trans | -82.1 | 103.3 | 168.3 | -72.7 | 62.7 | 0 | 0 | 0 | 105.6 | Q7 V11 | Q7-H9 PolarHBondContact O-N 2.91Å; Q7-H9 PolarHBondContact O-ND1 2.88Å; H9-V11 PolarHBondContact O-N 3Å | ||
| 10 | Y | 47.2 | Very low | 50.1 | Low | 136 Ų | 136 | 114.1 Ų | 114.1 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 117.6 | 173 | -63.1 | -84.3 | 0 | 0 | 0 | 107.8 | S8 E40 | S8-Y10 WeakPolarHBondContact O-CD2 3.42Å; S8-Y10 PolarHBondContact O-N 2.94Å; Y10-E40 HydrophobicContact CD1-CG 4.3Å; Y10-E40 HydrophobicContact CE1-CG 3.87Å |
| 11 | V | 48.9 | Very low | 51.2 | Low | 60 Ų | 60 | 111.1 Ų | 111.1 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 121.2 | 167 | -174.5 | 0 | 0 | 0 | 0 | 107.6 | H9 I13 I47 | H9-V11 PolarHBondContact O-N 3Å; V11-I13 HydrophobicContact CB-CG1 4.47Å; V11-I13 HydrophobicContact CG1-CG1 3.98Å; V11-I47 HydrophobicContact CB-CD1 4.2Å; V11-I47 HydrophobicContact CG1-CD1 3.68Å; V11-I47 HydrophobicContact CG2-CD1 4.48Å |
| 12 | W | 49.7 | Very low | 53.1 | Low | 216 Ų | 216 | 100.3 Ų | 100.3 | 82% | 0.818 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 129.8 | 166.7 | -68.4 | 95.7 | 0 | 0 | 0 | 108.1 | ||
| 13 | I | 55.1 | Low | 55.2 | Low | 26 Ų | 26 | 96 Ų | 96 | 13% | 0.133 | 44% | 0.442 | C | S | . | . | trans | -126.4 | 130.2 | -179.8 | -49 | 162.9 | 0 | 0 | 0 | 107.3 | V11 W15 F17 L20 I39 I47 Q50 | V11-I13 HydrophobicContact CB-CG1 4.47Å; V11-I13 HydrophobicContact CG1-CG1 3.98Å; I13-W15 PolarHBondContact O-N 3.28Å; I13-F17 HydrophobicContact CB-CE1 3.58Å; I13-F17 HydrophobicContact CB-CE2 3.8Å; I13-F17 HydrophobicContact CB-CZ 3.2Å; I13-F17 HydrophobicContact CD1-CE2 3.8Å; I13-F17 HydrophobicContact CD1-CZ 4Å; I13-F17 HydrophobicContact CG1-CE2 4.44Å; I13-F17 HydrophobicContact CG1-CZ 4.22Å; I13-F17 HydrophobicContact CG2-CD1 3.65Å; I13-F17 HydrophobicContact CG2-CD2 3.97Å; I13-F17 HydrophobicContact CG2-CE1 3.15Å; I13-F17 HydrophobicContact CG2-CE2 3.43Å; I13-F17 VanDerWaalsContact CG2-CE2 3.43Å; I13-F17 HydrophobicContact CG2-CG 4.12Å; I13-F17 HydrophobicContact CG2-CZ 3.1Å; I13-F17 WeakPolarHBondContact O-CE1 3.19Å; I13-L20 HydrophobicContact CD1-CD1 3.32Å; I13-L20 HydrophobicContact CD1-CD2 4.04Å; I13-L20 HydrophobicContact CD1-CG 4.26Å; I13-L20 HydrophobicContact CG2-CD2 4.44Å; I13-I39 HydrophobicContact CD1-CD1 3.97Å; I13-I47 HydrophobicContact CD1-CD1 4.03Å; I13-I47 HydrophobicContact CG1-CD1 4.15Å; I13-Q50 HydrophobicContact CG2-CG 4.47Å | ||
| 14 | D | 52.2 | Low | 56.6 | Low | 145 Ų | 145 | 88.2 Ų | 88.2 | 78% | 0.775 | 43% | 0.426 | S | S | * | . | trans | -71.6 | 108 | -176 | -71 | -43.5 | 0 | 0 | 0 | 111.2 | F17 | D14-F17 VanDerWaalsContact C-CE1 3.44Å; D14-F17 WeakPolarHBondContact O-CD1 3.46Å; D14-F17 VanDerWaalsContact O-CE1 3.25Å; D14-F17 WeakPolarHBondContact O-CE1 3.44Å | ||
| 15 | W | 57.1 | Low | 58.5 | Low | 147 Ų | 147 | 87.1 Ų | 87.1 | 56% | 0.557 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -54.7 | 142 | 174.7 | -179.1 | -97.2 | 0 | 0 | 0 | 110.9 | I13 | I13-W15 PolarHBondContact O-N 3.28Š|
| 16 | P | 68.5 | Low | 59.7 | Low | 61 Ų | 61 | 87.1 Ų | 87.1 | 40% | 0.396 | 42% | 0.415 | S | S | . | . | cis | -116.3 | 106.9 | 19.3 | 35.9 | -24.1 | 0 | 0 | 0 | 115 | K52 | P16-K52 WeakPolarHBondContact O-CD 3.2Å; P16-K52 WeakPolarHBondContact O-CE 3.36Å; P16-K52 WeakPolarHBondContact O-CG 3.25Å | ||
| 17 | F | 69.1 | Low | 60.9 | Low | 10 Ų | 10 | 81.9 Ų | 81.9 | 4% | 0.044 | 40% | 0.401 | C | S | . | . | trans | -126.8 | 147.4 | 174.2 | 53.3 | -76.1 | 0 | 0 | 0 | 109.7 | I13 D14 L20 I29 I39 Q50 Y51 | I13-F17 HydrophobicContact CB-CE1 3.58Å; I13-F17 HydrophobicContact CB-CE2 3.8Å; I13-F17 HydrophobicContact CB-CZ 3.2Å; I13-F17 HydrophobicContact CD1-CE2 3.8Å; I13-F17 HydrophobicContact CD1-CZ 4Å; I13-F17 HydrophobicContact CG1-CE2 4.44Å; I13-F17 HydrophobicContact CG1-CZ 4.22Å; I13-F17 HydrophobicContact CG2-CD1 3.65Å; I13-F17 HydrophobicContact CG2-CD2 3.97Å; I13-F17 HydrophobicContact CG2-CE1 3.15Å; I13-F17 HydrophobicContact CG2-CE2 3.43Å; I13-F17 VanDerWaalsContact CG2-CE2 3.43Å; I13-F17 HydrophobicContact CG2-CG 4.12Å; I13-F17 HydrophobicContact CG2-CZ 3.1Å; I13-F17 WeakPolarHBondContact O-CE1 3.19Å; D14-F17 VanDerWaalsContact C-CE1 3.44Å; D14-F17 WeakPolarHBondContact O-CD1 3.46Å; D14-F17 VanDerWaalsContact O-CE1 3.25Å; D14-F17 WeakPolarHBondContact O-CE1 3.44Å; F17-L20 HydrophobicContact CD2-CD2 3.65Å; F17-L20 HydrophobicContact CD2-CG 4.17Å; F17-L20 HydrophobicContact CE2-CD1 4.4Å; F17-L20 HydrophobicContact CE2-CD2 3.88Å; F17-L20 HydrophobicContact CE2-CG 4.22Å; F17-I29 HydrophobicContact CD2-CD1 3.21Å; F17-I29 HydrophobicContact CE2-CD1 3.13Å; F17-I29 HydrophobicContact CG-CD1 4.4Å; F17-I29 HydrophobicContact CZ-CD1 4.23Å; F17-I39 HydrophobicContact CE2-CD1 3.99Å; F17-Q50 HydrophobicContact CB-CB 4.44Å; F17-Y51 WeakPolarHBondContact CB-O 3.38Å | ||
| 18 | D | 67.3 | Low | 61.7 | Low | 59 Ų | 59 | 83.5 Ų | 83.5 | 32% | 0.316 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -106.7 | -22.7 | -174.3 | -64.6 | -72.7 | 0 | 0 | 0 | 112.8 | I29 Y51 S53 | D18-I29 PolarHBondContact O-N 3.08Å; D18-Y51 PolarHBondContact N-O 3.19Å; D18-S53 WeakPolarHBondContact OD2-CA 3.12Å; D18-S53 WeakPolarHBondContact OD2-CB 3.45Å; D18-S53 PolarHBondContact OD2-N 2.86Å; D18-S53 PolarHBondContact OD2-OG 3.45Å |
| 19 | R | 68.3 | Low | 62.6 | Low | 113 Ų | 113 | 83 Ų | 83 | 43% | 0.426 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 145.7 | -178.5 | -52.7 | -175.7 | -175.6 | 176.1 | -1.9 | 111 | Y51 L56 | R19-Y51 HydrophobicContact CB-CD2 4.23Å; R19-Y51 PolarHBondContact N-O 3.23Å; R19-Y51 PolarHBondContact O-N 3.27Å; R19-L56 VanDerWaalsContact CZ-CD1 3.43Å |
| 20 | L | 73.6 | Confident | 63.2 | Low | 1 Ų | 1 | 83.8 Ų | 83.8 | 1% | 0.005 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.1 | 168.3 | -61 | 171.9 | 0 | 0 | 0 | 109.2 | I13 F17 L22 V27 I29 I39 I41 I47 Q50 | I13-L20 HydrophobicContact CD1-CD1 3.32Å; I13-L20 HydrophobicContact CD1-CD2 4.04Å; I13-L20 HydrophobicContact CD1-CG 4.26Å; I13-L20 HydrophobicContact CG2-CD2 4.44Å; F17-L20 HydrophobicContact CD2-CD2 3.65Å; F17-L20 HydrophobicContact CD2-CG 4.17Å; F17-L20 HydrophobicContact CE2-CD1 4.4Å; F17-L20 HydrophobicContact CE2-CD2 3.88Å; F17-L20 HydrophobicContact CE2-CG 4.22Å; L20-L22 HydrophobicContact CB-CD2 4.06Å; L20-V27 PolarHBondContact N-O 3.28Å; L20-V27 PolarHBondContact O-N 2.85Å; L20-I29 HydrophobicContact CD1-CD1 4.48Å; L20-I29 HydrophobicContact CG-CD1 4.12Å; L20-I39 HydrophobicContact CD1-CD1 3.55Å; L20-I39 HydrophobicContact CG-CD1 4.39Å; L20-I41 HydrophobicContact CD1-CD1 3.96Å; L20-I47 HydrophobicContact CD2-CG2 4.24Å; L20-Q50 HydrophobicContact CD2-CB 4.11Å; L20-Q50 HydrophobicContact CD2-CG 3.67Å |
| 21 | E | 72.4 | Confident | 63.7 | Low | 52 Ų | 52 | 85.1 Ų | 85.1 | 24% | 0.243 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118.5 | 161.4 | -171.2 | 171.8 | 164 | 0 | 0 | 108 | I26 L48 R49 Y51 | E21-I26 HydrophobicContact CG-CG1 4.3Å; E21-L48 HydrophobicContact CB-CB 4.44Å; E21-L48 HydrophobicContact CG-CB 4.2Å; E21-L48 HydrophobicContact CG-CD1 4.38Å; E21-L48 PolarHBondContact O-N 3.05Å; E21-R49 HydrophobicContact CB-CB 4.04Å; E21-R49 PolarHBondContact N-O 3.36Å; E21-R49 PolarHBondContact O-N 2.95Å; E21-Y51 HydrophobicContact CB-CE2 3.97Å; E21-Y51 PolarHBondContact OE2-OH 3.27Å |
| 22 | L | 73.4 | Confident | 64.2 | Low | 8 Ų | 8 | 89 Ų | 89 | 4% | 0.042 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 156.3 | 172.8 | -49.7 | -180 | 0 | 0 | 0 | 109.8 | L20 A24 H25 V27 I41 F45 E46 I47 | L20-L22 HydrophobicContact CB-CD2 4.06Å; L22-A24 PolarHBondContact O-N 2.79Å; L22-H25 WeakPolarHBondContact CA-O 3.36Å; L22-H25 WeakPolarHBondContact CB-O 3.46Å; L22-H25 PolarHBondContact N-O 2.82Å; L22-H25 PolarHBondContact O-N 3.32Å; L22-H25 VanDerWaalsContact O-N 3.17Å; L22-V27 HydrophobicContact CD1-CG2 3.28Å; L22-V27 HydrophobicContact CG-CG2 3.82Å; L22-I41 HydrophobicContact CD1-CD1 4.38Å; L22-I41 HydrophobicContact CD1-CG1 4.18Å; L22-I41 HydrophobicContact CD1-CG2 3.84Å; L22-I41 HydrophobicContact CD2-CD1 3.76Å; L22-I41 HydrophobicContact CD2-CG1 4.45Å; L22-I41 HydrophobicContact CD2-CG2 4.39Å; L22-F45 HydrophobicContact CB-CB 3.99Å; L22-F45 HydrophobicContact CB-CD1 4.12Å; L22-F45 HydrophobicContact CB-CG 4.33Å; L22-F45 HydrophobicContact CD1-CB 3.9Å; L22-F45 HydrophobicContact CD1-CD1 4.37Å; L22-F45 HydrophobicContact CD1-CG 4.03Å; L22-F45 HydrophobicContact CG-CB 4.44Å; L22-E46 CarbonylContact C-O 3.38Å; L22-E46 WeakPolarHBondContact CA-O 3.41Å; L22-I47 HydrophobicContact CD2-CB 4.31Å; L22-I47 HydrophobicContact CD2-CG1 3.74Å |
| 23 | S | 71.7 | Confident | 64.6 | Low | 50 Ų | 50 | 83.5 Ų | 83.5 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -52.1 | -24.3 | -175.5 | 57.9 | 0 | 0 | 0 | 0 | 115.4 | F45 E46 | S23-F45 WeakPolarHBondContact OG-CA 3.1Å; S23-E46 PolarHBondContact N-O 3.27Å; S23-E46 PolarHBondContact OG-N 2.61Å |
| 24 | A | 69.9 | Low | 64.8 | Low | 61 Ų | 61 | 90.1 Ų | 90.1 | 50% | 0.504 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -119.7 | -16.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L22 F45 | L22-A24 PolarHBondContact O-N 2.79Å; A24-F45 HydrophobicContact CB-CD1 3.81Å; A24-F45 HydrophobicContact CB-CE1 3.59Å |
| 25 | H | 68 | Low | 64.7 | Low | 122 Ų | 122 | 87.9 Ų | 87.9 | 57% | 0.565 | 44% | 0.441 | S | S | * | . | trans | -152.9 | 150.3 | -174.9 | -71.4 | 77.7 | 0 | 0 | 0 | 112 | L22 F45 | L22-H25 WeakPolarHBondContact CA-O 3.36Å; L22-H25 WeakPolarHBondContact CB-O 3.46Å; L22-H25 PolarHBondContact N-O 2.82Å; L22-H25 PolarHBondContact O-N 3.32Å; L22-H25 VanDerWaalsContact O-N 3.17Å; H25-F45 HydrophobicContact CB-CE1 4.3Å; H25-F45 AromaticContact ND1-CE1 3.42Å; H25-F45 WeakPolarHBondContact ND1-CE1 3.48Å; H25-F45 AromaticContact ND1-CZ 3.93Å | ||
| 26 | I | 62.1 | Low | 64.7 | Low | 121 Ų | 121 | 88.8 Ų | 88.8 | 62% | 0.621 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 125.9 | 166.6 | -62.3 | 171.4 | 0 | 0 | 0 | 108.6 | E21 | E21-I26 HydrophobicContact CG-CG1 4.3Å |
| 27 | V | 65.6 | Low | 63.9 | Low | 56 Ų | 56 | 87.7 Ų | 87.7 | 34% | 0.339 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.9 | -179 | -144.9 | 0 | 0 | 0 | 0 | 110.5 | L20 L22 | L20-V27 PolarHBondContact N-O 3.28Å; L20-V27 PolarHBondContact O-N 2.85Å; L22-V27 HydrophobicContact CD1-CG2 3.28Å; L22-V27 HydrophobicContact CG-CG2 3.82Å |
| 28 | K | 61.5 | Low | 63.1 | Low | 157 Ų | 157 | 90.3 Ų | 90.3 | 68% | 0.683 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 131.7 | 173 | -175.1 | -178.9 | 178.2 | -176.9 | 0 | 109.7 | ||
| 29 | I | 66.1 | Low | 62.7 | Low | 38 Ų | 38 | 88.9 Ų | 88.9 | 20% | 0.195 | 47% | 0.467 | C | S | . | . | trans | -87.7 | 124.2 | 177.1 | -47.9 | 169 | 0 | 0 | 0 | 107.8 | F17 D18 L20 I39 | F17-I29 HydrophobicContact CD2-CD1 3.21Å; F17-I29 HydrophobicContact CE2-CD1 3.13Å; F17-I29 HydrophobicContact CG-CD1 4.4Å; F17-I29 HydrophobicContact CZ-CD1 4.23Å; D18-I29 PolarHBondContact O-N 3.08Å; L20-I29 HydrophobicContact CD1-CD1 4.48Å; L20-I29 HydrophobicContact CG-CD1 4.12Å; I29-I39 HydrophobicContact CB-CD1 4.15Å; I29-I39 HydrophobicContact CD1-CD1 3.31Å; I29-I39 HydrophobicContact CG1-CD1 3.32Å; I29-I39 HydrophobicContact CG1-CG1 4.2Å; I29-I39 HydrophobicContact CG2-CD1 3.8Å; I29-I39 HydrophobicContact CG2-CG1 3.99Å | ||
| 30 | V | 58.6 | Low | 62 | Low | 120 Ų | 120 | 88.9 Ų | 88.9 | 73% | 0.727 | 47% | 0.472 | S | S | * | . | trans | -102.2 | 105.9 | 174.7 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 31 | R | 59.8 | Low | 61.3 | Low | 164 Ų | 164 | 89.5 Ų | 89.5 | 62% | 0.619 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 132.5 | 175.7 | 178.3 | -178.6 | 175.2 | -138.8 | 0.9 | 110.6 | ||
| 32 | K | 57.8 | Low | 60.5 | Low | 141 Ų | 141 | 93.2 Ų | 93.2 | 61% | 0.613 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 135.6 | 158.4 | -73.2 | -175.4 | 178.3 | 177.7 | 0 | 109.5 | N34 M35 | K32-N34 PolarHBondContact O-N 3.21Å; K32-M35 HydrophobicContact CB-CB 4Å; K32-M35 HydrophobicContact CB-SD 4.37Å; K32-M35 HydrophobicContact CD-SD 4.18Å; K32-M35 PolarHBondContact O-N 2.79Å; K32-M35 VanDerWaalsContact O-N 3.16Å |
| 33 | P | 58.4 | Low | 59.6 | Low | 102 Ų | 102 | 100.8 Ų | 100.8 | 66% | 0.662 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 127.6 | 170.5 | -19.1 | 30.2 | 0 | 0 | 0 | 108.2 | ||
| 34 | N | 59 | Low | 59.2 | Low | 164 Ų | 164 | 102.3 Ų | 102.3 | 88% | 0.877 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 15.3 | -179.9 | -40.9 | -38.7 | 0 | 0 | 0 | 117.1 | K32 | K32-N34 PolarHBondContact O-N 3.21Š|
| 35 | M | 50.1 | Low | 58.9 | Low | 99 Ų | 99 | 102.1 Ų | 102.1 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | trans | -114.3 | 122.6 | 172.7 | -148.5 | 173.7 | 88.2 | 0 | 0 | 110.5 | K32 G37 | K32-M35 HydrophobicContact CB-CB 4Å; K32-M35 HydrophobicContact CB-SD 4.37Å; K32-M35 HydrophobicContact CD-SD 4.18Å; K32-M35 PolarHBondContact O-N 2.79Å; K32-M35 VanDerWaalsContact O-N 3.16Å; M35-G37 VanDerWaalsContact C-N 3.34Å; M35-G37 PolarHBondContact O-N 3.46Å | ||
| 36 | I | 58.1 | Low | 58.9 | Low | 165 Ų | 165 | 102.9 Ų | 102.9 | 85% | 0.846 | 52% | 0.521 | S | S | * | . | trans | -76.9 | 94.6 | 159.8 | -58.1 | 173.9 | 0 | 0 | 0 | 104.3 | ||||
| 37 | G | 51.9 | Low | 59.5 | Low | 39 Ų | 39 | 99.7 Ų | 99.7 | 40% | 0.402 | 51% | 0.505 | S | S | . | . | trans | -81.9 | 138.1 | -164 | 0 | 0 | 0 | 0 | 0 | 113.7 | M35 | M35-G37 VanDerWaalsContact C-N 3.34Å; M35-G37 PolarHBondContact O-N 3.46Å | ||
| 38 | S | 52.6 | Low | 60 | Low | 64 Ų | 64 | 101.8 Ų | 101.8 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | trans | -92.6 | 151.8 | 161.3 | 50.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 39 | I | 58.7 | Low | 60.7 | Low | 29 Ų | 29 | 101.3 Ų | 101.3 | 15% | 0.149 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.4 | 172.1 | -62.9 | 150.3 | 0 | 0 | 0 | 106.8 | I13 F17 L20 I29 I41 | I13-I39 HydrophobicContact CD1-CD1 3.97Å; F17-I39 HydrophobicContact CE2-CD1 3.99Å; L20-I39 HydrophobicContact CD1-CD1 3.55Å; L20-I39 HydrophobicContact CG-CD1 4.39Å; I29-I39 HydrophobicContact CB-CD1 4.15Å; I29-I39 HydrophobicContact CD1-CD1 3.31Å; I29-I39 HydrophobicContact CG1-CD1 3.32Å; I29-I39 HydrophobicContact CG1-CG1 4.2Å; I29-I39 HydrophobicContact CG2-CD1 3.8Å; I29-I39 HydrophobicContact CG2-CG1 3.99Å; I39-I41 HydrophobicContact CG2-CD1 4.42Å; I39-I41 HydrophobicContact CG2-CG1 3.81Å; I39-I41 PolarHBondContact O-N 3.36Å |
| 40 | E | 53.2 | Low | 61.2 | Low | 113 Ų | 113 | 104 Ų | 104 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 110.8 | 170.6 | -70.2 | -172.2 | 93.8 | 0 | 0 | 108.9 | S8 Y10 | S8-E40 PolarHBondContact OG-OE1 3.31Å; Y10-E40 HydrophobicContact CD1-CG 4.3Å; Y10-E40 HydrophobicContact CE1-CG 3.87Å |
| 41 | I | 59.1 | Low | 62 | Low | 15 Ų | 15 | 100.6 Ų | 100.6 | 8% | 0.077 | 49% | 0.493 | C | S | . | . | trans | -107.5 | 121.8 | 175.7 | -61.3 | 170.7 | 0 | 0 | 0 | 107.3 | L20 L22 I39 F45 I47 | L20-I41 HydrophobicContact CD1-CD1 3.96Å; L22-I41 HydrophobicContact CD1-CD1 4.38Å; L22-I41 HydrophobicContact CD1-CG1 4.18Å; L22-I41 HydrophobicContact CD1-CG2 3.84Å; L22-I41 HydrophobicContact CD2-CD1 3.76Å; L22-I41 HydrophobicContact CD2-CG1 4.45Å; L22-I41 HydrophobicContact CD2-CG2 4.39Å; I39-I41 HydrophobicContact CG2-CD1 4.42Å; I39-I41 HydrophobicContact CG2-CG1 3.81Å; I39-I41 PolarHBondContact O-N 3.36Å; I41-F45 HydrophobicContact CG2-CB 3.42Å; I41-F45 VanDerWaalsContact CG2-CB 3.42Å; I41-F45 HydrophobicContact CG2-CD2 4.18Å; I41-F45 HydrophobicContact CG2-CG 4.22Å; I41-I47 HydrophobicContact CD1-CD1 3.83Å; I41-I47 HydrophobicContact CD1-CG1 3.82Å | ||
| 42 | F | 55.1 | Low | 62.7 | Low | 129 Ų | 129 | 97.2 Ų | 97.2 | 57% | 0.566 | 48% | 0.483 | S | S | * | . | trans | -72.3 | 151.3 | 177.4 | -66.5 | -93.1 | 0 | 0 | 0 | 110.9 | S44 F45 | F42-S44 PolarHBondContact O-N 2.91Å; F42-F45 HydrophobicContact CB-CD2 4.09Å; F42-F45 HydrophobicContact CB-CE2 4.12Å; F42-F45 WeakPolarHBondContact O-CB 3.35Å; F42-F45 WeakPolarHBondContact O-CD2 3.21Å; F42-F45 PolarHBondContact O-N 2.53Å; F42-F45 VanDerWaalsContact O-N 3.08Å | ||
| 43 | R | 55 | Low | 63.4 | Low | 167 Ų | 167 | 93.7 Ų | 93.7 | 63% | 0.63 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -16 | -170.9 | -61.1 | -172.8 | -94.5 | -170.4 | -4.5 | 116 | F45 | R43-F45 PolarHBondContact O-N 2.72Š|
| 44 | S | 62.5 | Low | 64.1 | Low | 83 Ų | 83 | 92.5 Ų | 92.5 | 58% | 0.58 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -0.6 | 176.5 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | F42 | F42-S44 PolarHBondContact O-N 2.91Š|
| 45 | F | 64 | Low | 64.6 | Low | 56 Ų | 56 | 88.8 Ų | 88.8 | 25% | 0.246 | 45% | 0.451 | C | S | . | . | trans | -125.9 | 123.7 | -167.3 | -62 | -63.8 | 0 | 0 | 0 | 111.6 | L22 S23 A24 H25 I41 F42 R43 | L22-F45 HydrophobicContact CB-CB 3.99Å; L22-F45 HydrophobicContact CB-CD1 4.12Å; L22-F45 HydrophobicContact CB-CG 4.33Å; L22-F45 HydrophobicContact CD1-CB 3.9Å; L22-F45 HydrophobicContact CD1-CD1 4.37Å; L22-F45 HydrophobicContact CD1-CG 4.03Å; L22-F45 HydrophobicContact CG-CB 4.44Å; S23-F45 WeakPolarHBondContact OG-CA 3.1Å; A24-F45 HydrophobicContact CB-CD1 3.81Å; A24-F45 HydrophobicContact CB-CE1 3.59Å; H25-F45 HydrophobicContact CB-CE1 4.3Å; H25-F45 AromaticContact ND1-CE1 3.42Å; H25-F45 WeakPolarHBondContact ND1-CE1 3.48Å; H25-F45 AromaticContact ND1-CZ 3.93Å; I41-F45 HydrophobicContact CG2-CB 3.42Å; I41-F45 VanDerWaalsContact CG2-CB 3.42Å; I41-F45 HydrophobicContact CG2-CD2 4.18Å; I41-F45 HydrophobicContact CG2-CG 4.22Å; F42-F45 HydrophobicContact CB-CD2 4.09Å; F42-F45 HydrophobicContact CB-CE2 4.12Å; F42-F45 WeakPolarHBondContact O-CB 3.35Å; F42-F45 WeakPolarHBondContact O-CD2 3.21Å; F42-F45 PolarHBondContact O-N 2.53Å; F42-F45 VanDerWaalsContact O-N 3.08Å; R43-F45 PolarHBondContact O-N 2.72Å | ||
| 46 | E | 68.9 | Low | 65.2 | Low | 139 Ų | 139 | 87.4 Ų | 87.4 | 65% | 0.65 | 45% | 0.445 | S | S | * | . | trans | -94.9 | 142.3 | 167 | -56.7 | 177.1 | 111 | 0 | 0 | 108.9 | L22 S23 L48 | L22-E46 CarbonylContact C-O 3.38Å; L22-E46 WeakPolarHBondContact CA-O 3.41Å; S23-E46 PolarHBondContact N-O 3.27Å; S23-E46 PolarHBondContact OG-N 2.61Å; E46-L48 PolarHBondContact O-N 2.86Å | ||
| 47 | I | 73.6 | Confident | 65.5 | Low | 54 Ų | 54 | 88.1 Ų | 88.1 | 28% | 0.277 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 110.9 | 171.2 | -57.6 | 176.5 | 0 | 0 | 0 | 108.1 | V11 I13 L20 L22 I41 Q50 | V11-I47 HydrophobicContact CB-CD1 4.2Å; V11-I47 HydrophobicContact CG1-CD1 3.68Å; V11-I47 HydrophobicContact CG2-CD1 4.48Å; I13-I47 HydrophobicContact CD1-CD1 4.03Å; I13-I47 HydrophobicContact CG1-CD1 4.15Å; L20-I47 HydrophobicContact CD2-CG2 4.24Å; L22-I47 HydrophobicContact CD2-CB 4.31Å; L22-I47 HydrophobicContact CD2-CG1 3.74Å; I41-I47 HydrophobicContact CD1-CD1 3.83Å; I41-I47 HydrophobicContact CD1-CG1 3.82Å; I47-Q50 HydrophobicContact CG2-CG 4.14Å |
| 48 | L | 77.2 | Confident | 65.5 | Low | 99 Ų | 99 | 100.7 Ų | 100.7 | 52% | 0.518 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -41.5 | 177.3 | -61.8 | -176 | 0 | 0 | 0 | 111.9 | E21 E46 | E21-L48 HydrophobicContact CB-CB 4.44Å; E21-L48 HydrophobicContact CG-CB 4.2Å; E21-L48 HydrophobicContact CG-CD1 4.38Å; E21-L48 PolarHBondContact O-N 3.05Å; E46-L48 PolarHBondContact O-N 2.86Å |
| 49 | R | 75.7 | Confident | 66.2 | Low | 147 Ų | 147 | 102.6 Ų | 102.6 | 56% | 0.555 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 148.9 | -177 | -164.5 | 174.2 | -73.7 | 159.2 | -4.3 | 112.1 | E21 Y51 | E21-R49 HydrophobicContact CB-CB 4.04Å; E21-R49 PolarHBondContact N-O 3.36Å; E21-R49 PolarHBondContact O-N 2.95Å; R49-Y51 HydrophobicContact CB-CE2 4.3Å; R49-Y51 VanDerWaalsContact CD-CZ 3.5Å; R49-Y51 WeakPolarHBondContact CD-OH 3.4Å; R49-Y51 HydrophobicContact CG-CE1 4.28Å; R49-Y51 HydrophobicContact CG-CE2 4.32Å; R49-Y51 PolarHBondContact NH1-OH 3.16Å |
| 50 | Q | 76.9 | Confident | 66.6 | Low | 94 Ų | 94 | 106.4 Ų | 106.4 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.3 | 172.8 | -50.9 | 179.4 | 7.3 | 0 | 0 | 108.4 | I13 F17 L20 I47 | I13-Q50 HydrophobicContact CG2-CG 4.47Å; F17-Q50 HydrophobicContact CB-CB 4.44Å; L20-Q50 HydrophobicContact CD2-CB 4.11Å; L20-Q50 HydrophobicContact CD2-CG 3.67Å; I47-Q50 HydrophobicContact CG2-CG 4.14Å |
| 51 | Y | 73.7 | Confident | 67.3 | Low | 49 Ų | 49 | 106.1 Ų | 106.1 | 19% | 0.192 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.3 | 177.6 | -59.2 | -85.9 | 0 | 0 | 0 | 110.8 | F17 D18 R19 E21 R49 L56 | F17-Y51 WeakPolarHBondContact CB-O 3.38Å; D18-Y51 PolarHBondContact N-O 3.19Å; R19-Y51 HydrophobicContact CB-CD2 4.23Å; R19-Y51 PolarHBondContact N-O 3.23Å; R19-Y51 PolarHBondContact O-N 3.27Å; E21-Y51 HydrophobicContact CB-CE2 3.97Å; E21-Y51 PolarHBondContact OE2-OH 3.27Å; R49-Y51 HydrophobicContact CB-CE2 4.3Å; R49-Y51 VanDerWaalsContact CD-CZ 3.5Å; R49-Y51 WeakPolarHBondContact CD-OH 3.4Å; R49-Y51 HydrophobicContact CG-CE1 4.28Å; R49-Y51 HydrophobicContact CG-CE2 4.32Å; R49-Y51 PolarHBondContact NH1-OH 3.16Å; Y51-L56 HydrophobicContact CD1-CD2 4.21Å; Y51-L56 HydrophobicContact CG-CD2 4.45Å |
| 52 | K | 75.7 | Confident | 67.8 | Low | 93 Ų | 93 | 111.4 Ų | 111.4 | 40% | 0.404 | 52% | 0.519 | S | S | . | . | trans | -89 | 153.9 | 163.4 | -52.2 | -166.5 | 172.9 | 171.1 | 0 | 109.7 | P16 S54 D55 | P16-K52 WeakPolarHBondContact O-CD 3.2Å; P16-K52 WeakPolarHBondContact O-CE 3.36Å; P16-K52 WeakPolarHBondContact O-CG 3.25Å; K52-S54 WeakPolarHBondContact CB-OG 3.34Å; K52-S54 PolarHBondContact O-N 3.42Å; K52-D55 WeakPolarHBondContact CB-OD2 3.09Å; K52-D55 PolarHBondContact N-OD2 2.85Å; K52-D55 WeakPolarHBondContact O-CB 3.48Å; K52-D55 PolarHBondContact O-N 2.89Å | ||
| 53 | S | 72.1 | Confident | 68.6 | Low | 67 Ų | 67 | 110.3 Ų | 110.3 | 47% | 0.469 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.2 | 172.3 | -76.2 | 0 | 0 | 0 | 0 | 112.7 | D18 | D18-S53 WeakPolarHBondContact OD2-CA 3.12Å; D18-S53 WeakPolarHBondContact OD2-CB 3.45Å; D18-S53 PolarHBondContact OD2-N 2.86Å; D18-S53 PolarHBondContact OD2-OG 3.45Å |
| 54 | S | 73.4 | Confident | 69.5 | Low | 77 Ų | 77 | 106.5 Ų | 106.5 | 54% | 0.538 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -31.7 | 174.5 | 51.9 | 0 | 0 | 0 | 0 | 113.7 | K52 L56 K57 | K52-S54 WeakPolarHBondContact CB-OG 3.34Å; K52-S54 PolarHBondContact O-N 3.42Å; S54-L56 VanDerWaalsContact C-N 3.31Å; S54-K57 PolarHBondContact O-N 3.19Å |
| 55 | D | 68.4 | Low | 70 | Confident | 86 Ų | 86 | 108.2 Ų | 108.2 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -76.4 | -24.9 | -174.3 | -54.8 | -30.9 | 0 | 0 | 0 | 111.6 | K52 K57 | K52-D55 WeakPolarHBondContact CB-OD2 3.09Å; K52-D55 PolarHBondContact N-OD2 2.85Å; K52-D55 WeakPolarHBondContact O-CB 3.48Å; K52-D55 PolarHBondContact O-N 2.89Å; D55-K57 VanDerWaalsContact C-N 3.26Å; D55-K57 PolarHBondContact O-N 3.05Å |
| 56 | L | 63.4 | Low | 70.5 | Confident | 70 Ų | 70 | 112.2 Ų | 112.2 | 37% | 0.366 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -81.6 | -0.4 | 178.9 | -60.7 | 170.9 | 0 | 0 | 0 | 113.6 | R19 Y51 S54 R58 | R19-L56 VanDerWaalsContact CZ-CD1 3.43Å; Y51-L56 HydrophobicContact CD1-CD2 4.21Å; Y51-L56 HydrophobicContact CG-CD2 4.45Å; S54-L56 VanDerWaalsContact C-N 3.31Å; L56-R58 VanDerWaalsContact C-N 3.34Å |
| 57 | K | 63.9 | Low | 70.6 | Confident | 181 Ų | 181 | 110 Ų | 110 | 79% | 0.787 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -91.9 | 18.7 | -179.2 | -72.5 | -169.2 | 176.7 | -174.6 | 0 | 113.9 | S54 D55 | S54-K57 PolarHBondContact O-N 3.19Å; D55-K57 VanDerWaalsContact C-N 3.26Å; D55-K57 PolarHBondContact O-N 3.05Å |
| 58 | R | 53.1 | Low | 70.3 | Confident | 303 Ų | 303 | 115.1 Ų | 115.1 | 100% | 1.143 | 53% | 0.534 | S | S | * | . | trans | -121.3 | 0 | 172 | -76.6 | -172.3 | 170.2 | -163.7 | -1.8 | 110 | L56 | L56-R58 VanDerWaalsContact C-N 3.34Š|
Retrieved 58 of 58 residues in 23.6 ms
(Link to these results)