| 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 | 44.8 | Very low | 38.4 | Very low | 227 Ų | 227 | 138.7 Ų | 138.7 | 100% | 1.118 | 78% | 0.775 | S | S | * | * | 0 | 95.8 | 0 | -95.7 | 170.4 | 60.1 | 0 | 0 | 108.2 | L3 | M1-L3 PolarHBondContact O-N 3.29Š| |||
| 2 | I | 38.2 | Very low | 39.1 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -86.1 | 106.7 | 174.5 | -64 | 170.9 | 0 | 0 | 0 | 106 | L4 | I2-L4 PolarHBondContact O-N 3.22Š| ||
| 3 | L | 39.4 | Very low | 40.5 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | -76.7 | 103.6 | 179 | -152.5 | 86.3 | 0 | 0 | 0 | 107.9 | M1 L5 | M1-L3 PolarHBondContact O-N 3.29Å; L3-L5 PolarHBondContact O-N 3.2Å; L3-L5 VanDerWaalsContact O-N 3.17Å | ||
| 4 | L | 39.7 | Very low | 42.5 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -72.1 | 104.1 | 175.2 | -145.2 | 95.2 | 0 | 0 | 0 | 108.3 | I2 V6 | I2-L4 PolarHBondContact O-N 3.22Å; L4-V6 PolarHBondContact O-N 2.92Å; L4-V6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | L | 39.1 | Very low | 45 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | -69 | 101.2 | 168.3 | -106.3 | 118.5 | 0 | 0 | 0 | 108.4 | L3 L7 | L3-L5 PolarHBondContact O-N 3.2Å; L3-L5 VanDerWaalsContact O-N 3.17Å; L5-L7 PolarHBondContact O-N 3.26Å; L5-L7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | V | 39.2 | Very low | 47.9 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 67% | 0.673 | 72% | 0.719 | S | S | * | * | trans | -74.8 | 95.2 | 166.7 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | L4 I8 | L4-V6 PolarHBondContact O-N 2.92Å; L4-V6 VanDerWaalsContact O-N 3.1Å; V6-I8 HydrophobicContact CG1-CG1 3.93Å; V6-I8 PolarHBondContact O-N 3.26Å | ||
| 7 | L | 34.9 | Very low | 50.7 | Low | 139 Ų | 139 | 120 Ų | 120 | 73% | 0.728 | 70% | 0.696 | S | S | * | * | trans | -66.7 | 95.5 | 163.9 | -102.5 | 133.7 | 0 | 0 | 0 | 107.9 | L5 T9 | L5-L7 PolarHBondContact O-N 3.26Å; L5-L7 VanDerWaalsContact O-N 3.1Å; L7-T9 PolarHBondContact O-N 3.14Å | ||
| 8 | I | 37.6 | Very low | 53.3 | Low | 147 Ų | 147 | 113.6 Ų | 113.6 | 75% | 0.754 | 66% | 0.658 | S | S | * | * | trans | -73.5 | 87 | 165.1 | -57.2 | 176.4 | 0 | 0 | 0 | 106.2 | V6 S10 | V6-I8 HydrophobicContact CG1-CG1 3.93Å; V6-I8 PolarHBondContact O-N 3.26Å; I8-S10 PolarHBondContact O-N 3.46Å | ||
| 9 | T | 33 | Very low | 55.6 | Low | 114 Ų | 114 | 107.6 Ų | 107.6 | 70% | 0.699 | 62% | 0.623 | S | S | * | * | trans | -69.3 | 97.7 | 163.9 | 50.3 | 0 | 0 | 0 | 0 | 107 | L7 A11 | L7-T9 PolarHBondContact O-N 3.14Å; T9-A11 VanDerWaalsContact C-N 3.31Å; T9-A11 PolarHBondContact O-N 3.01Å | ||
| 10 | S | 38.7 | Very low | 57.6 | Low | 94 Ų | 94 | 104.8 Ų | 104.8 | 66% | 0.657 | 61% | 0.606 | S | S | * | * | trans | -61.3 | 98.6 | 164.7 | 50.9 | 0 | 0 | 0 | 0 | 107.4 | I8 L12 | I8-S10 PolarHBondContact O-N 3.46Å; S10-L12 VanDerWaalsContact C-N 3.29Å; S10-L12 PolarHBondContact O-N 2.69Å | ||
| 11 | A | 37.8 | Very low | 59.4 | Low | 93 Ų | 93 | 100 Ų | 100 | 77% | 0.769 | 58% | 0.578 | S | S | * | * | trans | -61.3 | 96.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | T9 A13 | T9-A11 VanDerWaalsContact C-N 3.31Å; T9-A11 PolarHBondContact O-N 3.01Å; A11-A13 PolarHBondContact O-N 2.97Å | ||
| 12 | L | 46.7 | Very low | 61.8 | Low | 160 Ų | 160 | 92.7 Ų | 92.7 | 84% | 0.838 | 54% | 0.538 | S | S | * | . | trans | -66.8 | 91.4 | 165.3 | -82.7 | 145.9 | 0 | 0 | 0 | 105.7 | S10 S14 | S10-L12 VanDerWaalsContact C-N 3.29Å; S10-L12 PolarHBondContact O-N 2.69Å; L12-S14 PolarHBondContact O-N 3.38Å | ||
| 13 | A | 57.9 | Low | 64.5 | Low | 89 Ų | 89 | 84.8 Ų | 84.8 | 74% | 0.736 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 131 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | A11 | A11-A13 PolarHBondContact O-N 2.97Š|
| 14 | S | 67.4 | Low | 67.1 | Low | 97 Ų | 97 | 82.8 Ų | 82.8 | 68% | 0.678 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 144.7 | 176.4 | -57.8 | 0 | 0 | 0 | 0 | 110.1 | L12 T16 | L12-S14 PolarHBondContact O-N 3.38Å; S14-T16 PolarHBondContact O-N 3.21Å |
| 15 | P | 80.1 | Confident | 69.6 | Low | 69 Ų | 69 | 78.9 Ų | 78.9 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -55 | 131.8 | -179.1 | 26.4 | -37.6 | 0 | 0 | 0 | 110.7 | D321 | P15-D321 HydrophobicContact CB-CB 3.26Å; P15-D321 VanDerWaalsContact CB-OD2 3.3Å; P15-D321 WeakPolarHBondContact CB-OD2 3.32Å; P15-D321 HydrophobicContact CG-CB 4.48Å |
| 16 | T | 92.5 | Very high | 72.2 | Confident | 46 Ų | 46 | 74.1 Ų | 74.1 | 28% | 0.282 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -101 | 122.7 | 178.8 | -52 | 0 | 0 | 0 | 0 | 109.2 | S14 Y18 T319 D320 | S14-T16 PolarHBondContact O-N 3.21Å; T16-Y18 HydrophobicContact CG2-CD1 3.87Å; T16-Y18 HydrophobicContact CG2-CE1 3.47Å; T16-Y18 VanDerWaalsContact CG2-CE1 3.47Å; T16-T319 VanDerWaalsContact O-CA 3.28Å; T16-T319 WeakPolarHBondContact O-CA 3.31Å; T16-T319 WeakPolarHBondContact O-CB 3.49Å; T16-T319 PolarHBondContact O-OG1 3.03Å; T16-D320 PolarHBondContact N-OD1 3.48Å; T16-D320 PolarHBondContact O-N 3.36Å |
| 17 | V | 94.8 | Very high | 74.9 | Confident | 53 Ų | 53 | 73.7 Ų | 73.7 | 32% | 0.321 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 118.2 | 169.2 | 178.3 | 0 | 0 | 0 | 0 | 107.4 | D20 L317 | V17-D20 HydrophobicContact CG1-CB 3.87Å; V17-L317 HydrophobicContact CG1-CD1 4.04Å |
| 18 | Y | 96.8 | Very high | 77.8 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.016 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -24.8 | 179.9 | -55.1 | -70.1 | 0 | 0 | 0 | 112.1 | T16 D78 V79 F81 K86 I318 D320 | T16-Y18 HydrophobicContact CG2-CD1 3.87Å; T16-Y18 HydrophobicContact CG2-CE1 3.47Å; T16-Y18 VanDerWaalsContact CG2-CE1 3.47Å; Y18-D78 PolarHBondContact O-N 2.86Å; Y18-V79 HydrophobicContact CD1-CB 4.31Å; Y18-V79 WeakPolarHBondContact CD1-O 3.5Å; Y18-F81 HydrophobicContact CD1-CB 3.67Å; Y18-F81 AromaticContact CD1-CD1 3.57Å; Y18-F81 HydrophobicContact CD1-CD1 3.57Å; Y18-F81 HydrophobicContact CD1-CD2 4.29Å; Y18-F81 HydrophobicContact CD1-CE1 4.26Å; Y18-F81 AromaticContact CD1-CG 3.59Å; Y18-F81 HydrophobicContact CD1-CG 3.59Å; Y18-F81 AromaticContact CD2-CD1 3.84Å; Y18-F81 HydrophobicContact CD2-CD1 3.84Å; Y18-F81 AromaticContact CD2-CD2 3.98Å; Y18-F81 HydrophobicContact CD2-CD2 3.98Å; Y18-F81 AromaticContact CD2-CE1 3.72Å; Y18-F81 HydrophobicContact CD2-CE1 3.72Å; Y18-F81 AromaticContact CD2-CE2 3.86Å; Y18-F81 HydrophobicContact CD2-CE2 3.86Å; Y18-F81 AromaticContact CD2-CG 3.97Å; Y18-F81 HydrophobicContact CD2-CG 3.97Å; Y18-F81 AromaticContact CD2-CZ 3.72Å; Y18-F81 HydrophobicContact CD2-CZ 3.72Å; Y18-F81 HydrophobicContact CE1-CB 3.32Å; Y18-F81 AromaticContact CE1-CD1 3.98Å; Y18-F81 HydrophobicContact CE1-CD1 3.98Å; Y18-F81 AromaticContact CE1-CD2 3.9Å; Y18-F81 HydrophobicContact CE1-CD2 3.9Å; Y18-F81 AromaticContact CE1-CG 3.48Å; Y18-F81 HydrophobicContact CE1-CG 3.48Å; Y18-F81 VanDerWaalsContact CE1-CG 3.48Å; Y18-F81 HydrophobicContact CE2-CD1 4.22Å; Y18-F81 AromaticContact CE2-CD2 3.55Å; Y18-F81 HydrophobicContact CE2-CD2 3.55Å; Y18-F81 HydrophobicContact CE2-CE1 4.29Å; Y18-F81 AromaticContact CE2-CE2 3.63Å; Y18-F81 HydrophobicContact CE2-CE2 3.63Å; Y18-F81 AromaticContact CE2-CG 3.87Å; Y18-F81 HydrophobicContact CE2-CG 3.87Å; Y18-F81 HydrophobicContact CE2-CZ 4.01Å; Y18-F81 HydrophobicContact CG-CB 4.42Å; Y18-F81 AromaticContact CG-CD1 3.5Å; Y18-F81 HydrophobicContact CG-CD1 3.5Å; Y18-F81 VanDerWaalsContact CG-CD1 3.5Å; Y18-F81 HydrophobicContact CG-CD2 4.33Å; Y18-F81 AromaticContact CG-CE1 3.7Å; Y18-F81 HydrophobicContact CG-CE1 3.7Å; Y18-F81 HydrophobicContact CG-CE2 4.5Å; Y18-F81 AromaticContact CG-CG 3.85Å; Y18-F81 HydrophobicContact CG-CG 3.85Å; Y18-F81 HydrophobicContact CG-CZ 4.2Å; Y18-F81 AromaticContact CZ-CD2 3.5Å; Y18-F81 AromaticContact CZ-CG 3.63Å; Y18-K86 PolarHBondContact OH-NZ 3.36Å; Y18-I318 HydrophobicContact CD2-CG2 4.14Å; Y18-I318 PolarHBondContact N-O 3.2Å; Y18-D320 HydrophobicContact CE2-CB 3.95Å; Y18-D320 PolarHBondContact OH-OD2 2.95Å |
| 19 | L | 97.3 | Very high | 80.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 136.3 | 172.5 | 179.5 | 69.2 | 0 | 0 | 0 | 108.9 | E21 R75 L77 V300 I316 L317 I318 | L19-E21 HydrophobicContact CD1-CB 4.41Å; L19-E21 HydrophobicContact CG-CB 4.48Å; L19-R75 VanDerWaalsContact CD1-CZ 3.43Å; L19-L77 HydrophobicContact CB-CD2 3.94Å; L19-L77 HydrophobicContact CD2-CD2 3.92Å; L19-L77 HydrophobicContact CG-CD2 4.47Å; L19-V300 HydrophobicContact CD2-CB 4.48Å; L19-V300 HydrophobicContact CD2-CG1 3.63Å; L19-I316 HydrophobicContact CD2-CG2 3.86Å; L19-L317 WeakPolarHBondContact O-CA 3.5Å; L19-I318 HydrophobicContact CB-CB 4.18Å; L19-I318 HydrophobicContact CB-CD1 4.28Å; L19-I318 HydrophobicContact CB-CG1 4.36Å; L19-I318 HydrophobicContact CD2-CD1 4Å; L19-I318 PolarHBondContact N-O 3.26Å; L19-I318 PolarHBondContact O-N 3.34Å |
| 20 | D | 95.5 | Very high | 83.7 | Confident | 52 Ų | 52 | 63 Ų | 63 | 28% | 0.278 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 102.3 | 164.5 | -173.1 | -6.4 | 0 | 0 | 0 | 106.6 | V17 R22 I316 L317 | V17-D20 HydrophobicContact CG1-CB 3.87Å; D20-R22 WeakPolarHBondContact OD1-CG 3.34Å; D20-R22 IonicContact OD1-CZ 3.78Å; D20-R22 IonicContact OD1-NE 3.78Å; D20-R22 PolarHBondContact OD1-NE 2.91Å; D20-R22 IonicContact OD1-NH2 3.3Å; D20-R22 IonicContact OD2-CZ 2.75Å; D20-R22 IonicContact OD2-NE 2.67Å; D20-R22 PolarHBondContact OD2-NE 2.92Å; D20-R22 IonicContact OD2-NH2 3.11Å; D20-R22 PolarHBondContact OD2-NH2 2.8Å; D20-I316 WeakPolarHBondContact CA-O 3.41Å; D20-L317 HydrophobicContact CB-CD1 4.15Å |
| 21 | E | 96.4 | Very high | 86.4 | Confident | 3 Ų | 3 | 67 Ų | 67 | 1% | 0.014 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.3 | 179.5 | 176.1 | 73.4 | -99.1 | 0 | 0 | 109.6 | L19 F23 R32 W33 R75 N315 I316 | L19-E21 HydrophobicContact CD1-CB 4.41Å; L19-E21 HydrophobicContact CG-CB 4.48Å; E21-F23 HydrophobicContact CG-CD1 4.2Å; E21-F23 HydrophobicContact CG-CD2 4.06Å; E21-F23 HydrophobicContact CG-CE1 3.84Å; E21-F23 HydrophobicContact CG-CE2 3.68Å; E21-F23 HydrophobicContact CG-CG 4.31Å; E21-F23 HydrophobicContact CG-CZ 3.56Å; E21-F23 PolarHBondContact OE1-N 3.29Å; E21-R32 IonicContact OE1-CZ 2.91Å; E21-R32 IonicContact OE1-NE 3.55Å; E21-R32 IonicContact OE1-NH2 3.58Å; E21-R32 PolarHBondContact OE1-NH2 3.42Å; E21-R32 IonicContact OE2-CZ 2.78Å; E21-R32 IonicContact OE2-NE 2.81Å; E21-R32 PolarHBondContact OE2-NE 3.03Å; E21-R32 VanDerWaalsContact OE2-NE 3.11Å; E21-R32 IonicContact OE2-NH2 2.62Å; E21-W33 HydrophobicContact CG-CZ2 4.16Å; E21-W33 PolarHBondContact OE2-NE1 3.21Å; E21-R75 IonicContact OE2-CZ 3.08Å; E21-R75 IonicContact OE2-NH1 3.5Å; E21-R75 PolarHBondContact OE2-NH1 3.4Å; E21-N315 CarbonylContact O-C 3.52Å; E21-N315 WeakPolarHBondContact O-CA 3.4Å; E21-N315 PolarHBondContact O-N 3.44Å; E21-I316 HydrophobicContact CB-CB 4.23Å; E21-I316 PolarHBondContact N-O 2.75Å; E21-I316 PolarHBondContact O-N 3.14Å |
| 22 | R | 94.5 | Very high | 89.2 | Confident | 75 Ų | 75 | 65.2 Ų | 65.2 | 28% | 0.283 | 37% | 0.367 | S | S | . | . | trans | -123.6 | 0.3 | -176.5 | -54.8 | -173.2 | -172.8 | -168.8 | 4.3 | 113.7 | D20 D24 D314 | D20-R22 WeakPolarHBondContact OD1-CG 3.34Å; D20-R22 IonicContact OD1-CZ 3.78Å; D20-R22 IonicContact OD1-NE 3.78Å; D20-R22 PolarHBondContact OD1-NE 2.91Å; D20-R22 IonicContact OD1-NH2 3.3Å; D20-R22 IonicContact OD2-CZ 2.75Å; D20-R22 IonicContact OD2-NE 2.67Å; D20-R22 PolarHBondContact OD2-NE 2.92Å; D20-R22 IonicContact OD2-NH2 3.11Å; D20-R22 PolarHBondContact OD2-NH2 2.8Å; R22-D24 HydrophobicContact CB-CB 4.36Å; R22-D24 PolarHBondContact O-N 3.46Å; R22-D314 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 23 | F | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | 49.5 | 28.6 | -179.5 | -54.1 | -81.1 | 0 | 0 | 0 | 114.7 | E21 W29 W33 V47 L62 D314 I316 | E21-F23 HydrophobicContact CG-CD1 4.2Å; E21-F23 HydrophobicContact CG-CD2 4.06Å; E21-F23 HydrophobicContact CG-CE1 3.84Å; E21-F23 HydrophobicContact CG-CE2 3.68Å; E21-F23 HydrophobicContact CG-CG 4.31Å; E21-F23 HydrophobicContact CG-CZ 3.56Å; E21-F23 PolarHBondContact OE1-N 3.29Å; F23-W29 HydrophobicContact CD1-CB 3.76Å; F23-W29 HydrophobicContact CD1-CG 4.12Å; F23-W29 HydrophobicContact CE1-CB 4.14Å; F23-W33 AromaticContact CE1-CD1 3.97Å; F23-W33 AromaticContact CE1-CE2 3.9Å; F23-W33 HydrophobicContact CE1-CZ2 4.36Å; F23-W33 AromaticContact CE1-NE1 3.44Å; F23-W33 AromaticContact CZ-CE2 3.83Å; F23-W33 AromaticContact CZ-CZ2 3.81Å; F23-W33 HydrophobicContact CZ-CZ2 3.81Å; F23-W33 AromaticContact CZ-NE1 3.78Å; F23-V47 HydrophobicContact CB-CG1 3.8Å; F23-V47 HydrophobicContact CB-CG2 4.14Å; F23-V47 HydrophobicContact CD1-CG2 3.67Å; F23-V47 HydrophobicContact CE1-CG2 4.38Å; F23-V47 HydrophobicContact CG-CG2 4.12Å; F23-L62 HydrophobicContact CE1-CB 4.15Å; F23-L62 HydrophobicContact CE2-CB 4.2Å; F23-L62 HydrophobicContact CZ-CB 3.83Å; F23-D314 WeakPolarHBondContact CD2-OD1 3.39Å; F23-I316 HydrophobicContact CE2-CD1 4.18Å; F23-I316 HydrophobicContact CZ-CD1 4.24Å | ||
| 24 | D | 92.5 | Very high | 93.5 | Very high | 103 Ų | 103 | 56.5 Ų | 56.5 | 55% | 0.551 | 31% | 0.31 | S | S | * | . | trans | -94.8 | 3.7 | -174 | 61.4 | -8.3 | 0 | 0 | 0 | 113.1 | R22 | R22-D24 HydrophobicContact CB-CB 4.36Å; R22-D24 PolarHBondContact O-N 3.46Å | ||
| 25 | D | 94.1 | Very high | 94.9 | Very high | 63 Ų | 63 | 55 Ų | 55 | 34% | 0.337 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -113 | 33.4 | -174.6 | 65.5 | -6.5 | 0 | 0 | 0 | 113.9 | D27 S28 R32 | D25-D27 PolarHBondContact O-N 3.35Å; D25-S28 WeakPolarHBondContact O-CB 3.39Å; D25-S28 PolarHBondContact O-N 2.97Å; D25-S28 PolarHBondContact O-OG 3.05Å; D25-R32 VanDerWaalsContact CG-NH2 3.33Å; D25-R32 IonicContact OD1-CZ 3.62Å; D25-R32 IonicContact OD1-NH1 3.73Å; D25-R32 IonicContact OD1-NH2 3.66Å; D25-R32 PolarHBondContact OD1-NH2 3.27Å; D25-R32 IonicContact OD2-CZ 2.67Å; D25-R32 VanDerWaalsContact OD2-CZ 3.25Å; D25-R32 IonicContact OD2-NH1 3.73Å; D25-R32 PolarHBondContact OD2-NH1 3.31Å; D25-R32 IonicContact OD2-NH2 3.25Å; D25-R32 PolarHBondContact OD2-NH2 3.01Å; D25-R32 VanDerWaalsContact OD2-NH2 3.08Å |
| 26 | G | 92.8 | Very high | 95.6 | Very high | 45 Ų | 45 | 51.9 Ų | 51.9 | 46% | 0.464 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | -124.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 27 | D | 95.4 | Very high | 95.6 | Very high | 102 Ų | 102 | 54.2 Ų | 54.2 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -0.7 | -177.6 | -94.2 | -11.5 | 0 | 0 | 0 | 113.7 | D25 W29 K30 | D25-D27 PolarHBondContact O-N 3.35Å; D27-W29 PolarHBondContact O-N 3.24Å; D27-W29 VanDerWaalsContact O-N 3.13Å; D27-K30 HydrophobicContact CB-CD 4.24Å; D27-K30 VanDerWaalsContact O-CB 3.3Å; D27-K30 WeakPolarHBondContact O-CB 3.31Å; D27-K30 WeakPolarHBondContact O-CG 3.42Å; D27-K30 PolarHBondContact O-N 3.42Å; D27-K30 WeakPolarHBondContact OD1-CE 3.41Å; D27-K30 IonicContact OD1-NZ 3.78Å; D27-K30 PolarHBondContact OD1-NZ 3.41Å; D27-K30 IonicContact OD2-NZ 3.57Å; D27-K30 PolarHBondContact OD2-NZ 2.98Å |
| 28 | S | 96.2 | Very high | 95.3 | Very high | 47 Ų | 47 | 55.7 Ų | 55.7 | 33% | 0.329 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.8 | -175.9 | -49.3 | 0 | 0 | 0 | 0 | 113.1 | D25 K30 E31 | D25-S28 WeakPolarHBondContact O-CB 3.39Å; D25-S28 PolarHBondContact O-N 2.97Å; D25-S28 PolarHBondContact O-OG 3.05Å; S28-K30 PolarHBondContact O-N 3.43Å; S28-K30 VanDerWaalsContact O-N 3.17Å; S28-E31 WeakPolarHBondContact O-CB 3.45Å; S28-E31 PolarHBondContact O-N 3.17Å; S28-E31 VanDerWaalsContact O-N 3.07Å |
| 29 | W | 96.8 | Very high | 94.3 | Very high | 15 Ų | 15 | 57.9 Ų | 57.9 | 6% | 0.057 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.4 | -29.3 | 172.8 | 72.2 | -89.8 | 0 | 0 | 0 | 113 | F23 D27 E31 R32 W33 V45 V47 L62 | F23-W29 HydrophobicContact CD1-CB 3.76Å; F23-W29 HydrophobicContact CD1-CG 4.12Å; F23-W29 HydrophobicContact CE1-CB 4.14Å; D27-W29 PolarHBondContact O-N 3.24Å; D27-W29 VanDerWaalsContact O-N 3.13Å; W29-E31 PolarHBondContact O-N 3.38Å; W29-R32 PolarHBondContact O-N 3.08Å; W29-W33 HydrophobicContact CE3-CB 4.09Å; W29-W33 HydrophobicContact CE3-CG 4.36Å; W29-W33 WeakPolarHBondContact O-CB 3.46Å; W29-W33 PolarHBondContact O-N 3.01Å; W29-V45 HydrophobicContact CH2-CG2 3.75Å; W29-V45 HydrophobicContact CZ3-CG2 4.06Å; W29-V47 HydrophobicContact CD2-CG2 3.72Å; W29-V47 VanDerWaalsContact CE2-CG2 3.46Å; W29-V47 HydrophobicContact CE3-CG2 4.48Å; W29-V47 HydrophobicContact CG-CG2 3.81Å; W29-V47 HydrophobicContact CZ2-CG2 4.04Å; W29-L62 HydrophobicContact CE3-CD1 4.22Å; W29-L62 HydrophobicContact CH2-CD1 4.25Å; W29-L62 HydrophobicContact CZ3-CD1 3.85Å |
| 30 | K | 96.7 | Very high | 93.2 | Very high | 113 Ų | 113 | 65.2 Ų | 65.2 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.8 | -23 | 178.7 | -63.7 | 175.2 | -177.8 | 167.6 | 0 | 112.8 | D27 S28 | D27-K30 HydrophobicContact CB-CD 4.24Å; D27-K30 VanDerWaalsContact O-CB 3.3Å; D27-K30 WeakPolarHBondContact O-CB 3.31Å; D27-K30 WeakPolarHBondContact O-CG 3.42Å; D27-K30 PolarHBondContact O-N 3.42Å; D27-K30 WeakPolarHBondContact OD1-CE 3.41Å; D27-K30 IonicContact OD1-NZ 3.78Å; D27-K30 PolarHBondContact OD1-NZ 3.41Å; D27-K30 IonicContact OD2-NZ 3.57Å; D27-K30 PolarHBondContact OD2-NZ 2.98Å; S28-K30 PolarHBondContact O-N 3.43Å; S28-K30 VanDerWaalsContact O-N 3.17Å |
| 31 | E | 96.5 | Very high | 92.6 | Very high | 177 Ų | 177 | 67 Ų | 67 | 83% | 0.827 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -82.9 | -24.1 | 175.7 | -57.3 | -176.3 | 174.3 | 0 | 0 | 111.9 | S28 W29 | S28-E31 WeakPolarHBondContact O-CB 3.45Å; S28-E31 PolarHBondContact O-N 3.17Å; S28-E31 VanDerWaalsContact O-N 3.07Å; W29-E31 PolarHBondContact O-N 3.38Å |
| 32 | R | 97.1 | Very high | 92.4 | Very high | 57 Ų | 57 | 68 Ų | 68 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -96.3 | -35.9 | -174.5 | -54.1 | -168.5 | -68.3 | -95.9 | 6.1 | 113.1 | E21 D25 W29 R75 | E21-R32 IonicContact OE1-CZ 2.91Å; E21-R32 IonicContact OE1-NE 3.55Å; E21-R32 IonicContact OE1-NH2 3.58Å; E21-R32 PolarHBondContact OE1-NH2 3.42Å; E21-R32 IonicContact OE2-CZ 2.78Å; E21-R32 IonicContact OE2-NE 2.81Å; E21-R32 PolarHBondContact OE2-NE 3.03Å; E21-R32 VanDerWaalsContact OE2-NE 3.11Å; E21-R32 IonicContact OE2-NH2 2.62Å; D25-R32 VanDerWaalsContact CG-NH2 3.33Å; D25-R32 IonicContact OD1-CZ 3.62Å; D25-R32 IonicContact OD1-NH1 3.73Å; D25-R32 IonicContact OD1-NH2 3.66Å; D25-R32 PolarHBondContact OD1-NH2 3.27Å; D25-R32 IonicContact OD2-CZ 2.67Å; D25-R32 VanDerWaalsContact OD2-CZ 3.25Å; D25-R32 IonicContact OD2-NH1 3.73Å; D25-R32 PolarHBondContact OD2-NH1 3.31Å; D25-R32 IonicContact OD2-NH2 3.25Å; D25-R32 PolarHBondContact OD2-NH2 3.01Å; D25-R32 VanDerWaalsContact OD2-NH2 3.08Å; W29-R32 PolarHBondContact O-N 3.08Å; R32-R75 HydrophobicContact CB-CG 4.42Å; R32-R75 WeakPolarHBondContact O-CB 3.39Å; R32-R75 WeakPolarHBondContact O-CG 3.39Å |
| 33 | W | 98 | Very high | 92.3 | Very high | 12 Ų | 12 | 64.4 Ų | 64.4 | 5% | 0.045 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.8 | -178.8 | -72.2 | 83.3 | 0 | 0 | 0 | 111 | E21 F23 W29 L73 R75 V300 F302 I316 | E21-W33 HydrophobicContact CG-CZ2 4.16Å; E21-W33 PolarHBondContact OE2-NE1 3.21Å; F23-W33 AromaticContact CE1-CD1 3.97Å; F23-W33 AromaticContact CE1-CE2 3.9Å; F23-W33 HydrophobicContact CE1-CZ2 4.36Å; F23-W33 AromaticContact CE1-NE1 3.44Å; F23-W33 AromaticContact CZ-CE2 3.83Å; F23-W33 AromaticContact CZ-CZ2 3.81Å; F23-W33 HydrophobicContact CZ-CZ2 3.81Å; F23-W33 AromaticContact CZ-NE1 3.78Å; W29-W33 HydrophobicContact CE3-CB 4.09Å; W29-W33 HydrophobicContact CE3-CG 4.36Å; W29-W33 WeakPolarHBondContact O-CB 3.46Å; W29-W33 PolarHBondContact O-N 3.01Å; W33-L73 HydrophobicContact CE3-CB 4.04Å; W33-L73 HydrophobicContact CZ3-CB 4.44Å; W33-R75 HydrophobicContact CD2-CB 3.84Å; W33-R75 HydrophobicContact CE3-CB 4.04Å; W33-R75 HydrophobicContact CG-CB 4.21Å; W33-R75 HydrophobicContact CZ2-CB 4.34Å; W33-R75 HydrophobicContact CZ3-CB 4.41Å; W33-V300 HydrophobicContact CH2-CG1 4.28Å; W33-F302 AromaticContact CH2-CD2 3.88Å; W33-F302 HydrophobicContact CH2-CD2 3.88Å; W33-F302 AromaticContact CH2-CE2 3.5Å; W33-F302 HydrophobicContact CH2-CE2 3.5Å; W33-F302 VanDerWaalsContact CH2-CE2 3.5Å; W33-F302 HydrophobicContact CZ2-CE2 4.48Å; W33-F302 AromaticContact CZ3-CD2 3.68Å; W33-F302 HydrophobicContact CZ3-CD2 3.68Å; W33-F302 AromaticContact CZ3-CE2 3.82Å; W33-F302 HydrophobicContact CZ3-CE2 3.82Å; W33-I316 HydrophobicContact CH2-CD1 3.69Å; W33-I316 HydrophobicContact CZ2-CD1 3.58Å |
| 34 | V | 97.1 | Very high | 92.3 | Very high | 54 Ų | 54 | 71 Ų | 71 | 33% | 0.327 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.8 | 177.3 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | L73 S74 L116 | V34-L73 WeakPolarHBondContact O-CA 3.48Å; V34-S74 PolarHBondContact N-O 3.47Å; V34-S74 PolarHBondContact O-N 2.85Å; V34-L116 HydrophobicContact CB-CB 3.97Å; V34-L116 HydrophobicContact CG1-CB 4.06Å; V34-L116 HydrophobicContact CG2-CB 4.25Å; V34-L116 HydrophobicContact CG2-CD1 4.23Å |
| 35 | Q | 95.6 | Very high | 92.5 | Very high | 66 Ų | 66 | 67.5 Ų | 67.5 | 31% | 0.308 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 130.8 | 167.1 | -169 | 161.4 | 22.5 | 0 | 0 | 109.3 | Q42 G43 L73 | Q35-Q42 HydrophobicContact CG-CB 4.2Å; Q35-Q42 HydrophobicContact CG-CG 4.14Å; Q35-Q42 VanDerWaalsContact NE2-CB 3.29Å; Q35-G43 PolarHBondContact NE2-O 3.01Å; Q35-L73 HydrophobicContact CB-CG 4.26Å; Q35-L73 HydrophobicContact CG-CD1 4.37Å; Q35-L73 HydrophobicContact CG-CG 4.25Å |
| 36 | S | 96 | Very high | 92.6 | Very high | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 149.4 | -177.1 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | H38 Q42 Q72 S117 F119 | S36-H38 WeakPolarHBondContact OG-CB 3.38Å; S36-H38 PolarHBondContact OG-N 3Å; S36-H38 VanDerWaalsContact OG-N 3.08Å; S36-Q42 VanDerWaalsContact O-CG 3.31Å; S36-Q42 WeakPolarHBondContact O-CG 3.18Å; S36-Q72 PolarHBondContact N-O 3.39Å; S36-S117 PolarHBondContact OG-O 3.41Å; S36-F119 WeakPolarHBondContact CB-O 3.41Å; S36-F119 PolarHBondContact OG-N 2.94Å; S36-F119 PolarHBondContact OG-O 3.39Å |
| 37 | N | 92.1 | Very high | 92.8 | Very high | 95 Ų | 95 | 67.8 Ų | 67.8 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -99.5 | 1.3 | 171.3 | -61.6 | -36.2 | 0 | 0 | 0 | 112.4 | H40 S117 | N37-H40 PolarHBondContact O-NE2 2.84Å; N37-S117 PolarHBondContact N-O 3.46Å |
| 38 | H | 87.5 | Confident | 92.8 | Very high | 85 Ų | 85 | 63.6 Ų | 63.6 | 39% | 0.394 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -67.7 | -45 | -170.5 | -166.2 | 75.3 | 0 | 0 | 0 | 113.4 | S36 E118 N120 | S36-H38 WeakPolarHBondContact OG-CB 3.38Å; S36-H38 PolarHBondContact OG-N 3Å; S36-H38 VanDerWaalsContact OG-N 3.08Å; H38-E118 IonicContact CE1-OE2 3.03Å; H38-E118 IonicContact CG-OE2 3.64Å; H38-E118 IonicContact ND1-OE2 2.7Å; H38-E118 PolarHBondContact ND1-OE2 2.92Å; H38-N120 HydrophobicContact CB-CB 4.15Å; H38-N120 PolarHBondContact CD2-ND2 2.88Å; H38-N120 PolarHBondContact CE1-ND2 2.76Å; H38-N120 VanDerWaalsContact CE1-ND2 3.31Å; H38-N120 PolarHBondContact ND1-ND2 2.76Å; H38-N120 PolarHBondContact NE2-ND2 2.85Å; H38-N120 VanDerWaalsContact NE2-ND2 3.15Å |
| 39 | E | 75.8 | Confident | 92.7 | Very high | 50 Ų | 50 | 64.1 Ų | 64.1 | 23% | 0.234 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -112.3 | 124.9 | 179.2 | -64.8 | 178.8 | 163.8 | 0 | 0 | 109.4 | Q42 Y70 Q72 | E39-Q42 WeakPolarHBondContact O-CG 3.21Å; E39-Q42 PolarHBondContact O-NE2 3.2Å; E39-Y70 WeakPolarHBondContact OE2-CD1 3.29Å; E39-Y70 VanDerWaalsContact OE2-CD2 3.32Å; E39-Y70 WeakPolarHBondContact OE2-CD2 3.47Å; E39-Q72 PolarHBondContact OE2-NE2 2.97Å |
| 40 | H | 74.1 | Confident | 92.4 | Very high | 153 Ų | 153 | 64 Ų | 64 | 71% | 0.708 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -112.9 | 136 | 177.7 | -75.1 | -52.4 | 0 | 0 | 0 | 111.8 | N37 | N37-H40 PolarHBondContact O-NE2 2.84Š|
| 41 | P | 83.5 | Confident | 92.1 | Very high | 91 Ų | 91 | 61.8 Ų | 61.8 | 59% | 0.591 | 31% | 0.311 | S | S | * | . | S | Bend | cis | -89.7 | 135.5 | -6.9 | 32.1 | -29.6 | 0 | 0 | 0 | 113.4 | ||
| 42 | Q | 92 | Very high | 92 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 152.7 | 167.7 | -63.8 | -70.1 | -52.3 | 0 | 0 | 111.3 | Q35 S36 E39 Y70 | Q35-Q42 HydrophobicContact CG-CB 4.2Å; Q35-Q42 HydrophobicContact CG-CG 4.14Å; Q35-Q42 VanDerWaalsContact NE2-CB 3.29Å; S36-Q42 VanDerWaalsContact O-CG 3.31Å; S36-Q42 WeakPolarHBondContact O-CG 3.18Å; E39-Q42 WeakPolarHBondContact O-CG 3.21Å; E39-Q42 PolarHBondContact O-NE2 3.2Å; Q42-Y70 PolarHBondContact OE1-O 3.41Å |
| 43 | G | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 144.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q35 E66 Y70 Y71 | Q35-G43 PolarHBondContact NE2-O 3.01Å; G43-E66 WeakPolarHBondContact CA-OE2 3.48Å; G43-Y70 PolarHBondContact N-O 3.1Å; G43-Y71 VanDerWaalsContact C-CE1 3.48Å; G43-Y71 WeakPolarHBondContact O-CE1 3.2Å |
| 44 | K | 95.4 | Very high | 91.4 | Very high | 138 Ų | 138 | 53.8 Ų | 53.8 | 60% | 0.6 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 137.3 | 174.6 | -68.6 | 175 | -175.5 | 172.6 | 0 | 111.3 | M65 E66 Y71 | K44-M65 HydrophobicContact CB-CB 4.31Å; K44-M65 VanDerWaalsContact O-CB 3.26Å; K44-M65 WeakPolarHBondContact O-CB 3.45Å; K44-M65 WeakPolarHBondContact O-CG 3.26Å; K44-M65 PolarHBondContact O-N 3.44Å; K44-E66 HydrophobicContact CB-CG 4.48Å; K44-E66 PolarHBondContact N-OE2 3.13Å; K44-Y71 WeakPolarHBondContact O-CE1 3.45Å |
| 45 | V | 96 | Very high | 91.1 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 153.4 | 172.7 | -69.4 | 0 | 0 | 0 | 0 | 111.5 | W29 L62 Q63 Y71 L73 | W29-V45 HydrophobicContact CH2-CG2 3.75Å; W29-V45 HydrophobicContact CZ3-CG2 4.06Å; V45-L62 HydrophobicContact CB-CD1 4Å; V45-L62 HydrophobicContact CG1-CD1 4.42Å; V45-L62 HydrophobicContact CG2-CD1 4.34Å; V45-Q63 CarbonylContact C-O 3.54Å; V45-Q63 VanDerWaalsContact CA-O 3.27Å; V45-Q63 WeakPolarHBondContact CA-O 3.48Å; V45-Y71 HydrophobicContact CG1-CD1 3.58Å; V45-Y71 HydrophobicContact CG1-CE1 3.82Å; V45-L73 HydrophobicContact CB-CD2 4.41Å; V45-L73 HydrophobicContact CG1-CD1 3.61Å; V45-L73 HydrophobicContact CG1-CD2 4.12Å; V45-L73 HydrophobicContact CG2-CD2 3.71Å |
| 46 | Q | 96.1 | Very high | 90.8 | Very high | 82 Ų | 82 | 52.9 Ų | 52.9 | 38% | 0.383 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 171.7 | 167.2 | 73.7 | -176.8 | 16.1 | 0 | 0 | 110.1 | L62 Q63 M65 | Q46-L62 CarbonylContact O-C 3.21Å; Q46-L62 WeakPolarHBondContact O-CA 3.38Å; Q46-Q63 HydrophobicContact CG-CB 4Å; Q46-Q63 PolarHBondContact N-O 3.36Å; Q46-Q63 PolarHBondContact O-N 2.99Å; Q46-M65 HydrophobicContact CB-CG 4.35Å; Q46-M65 HydrophobicContact CB-SD 4.42Å; Q46-M65 VanDerWaalsContact CD-CE 3.42Å; Q46-M65 HydrophobicContact CG-CE 4.29Å; Q46-M65 HydrophobicContact CG-CG 3.98Å; Q46-M65 HydrophobicContact CG-SD 3.44Å; Q46-M65 WeakPolarHBondContact CG-SD 3.29Å; Q46-M65 PolarHBondContact NE2-SD 3.44Å; Q46-M65 VanDerWaalsContact NE2-SD 3.36Å |
| 47 | V | 97 | Very high | 90.4 | Very high | 33 Ų | 33 | 58.5 Ų | 58.5 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.4 | 164.4 | 163.9 | 0 | 0 | 0 | 0 | 108.6 | F23 W29 K60 G61 L62 | F23-V47 HydrophobicContact CB-CG1 3.8Å; F23-V47 HydrophobicContact CB-CG2 4.14Å; F23-V47 HydrophobicContact CD1-CG2 3.67Å; F23-V47 HydrophobicContact CE1-CG2 4.38Å; F23-V47 HydrophobicContact CG-CG2 4.12Å; W29-V47 HydrophobicContact CD2-CG2 3.72Å; W29-V47 VanDerWaalsContact CE2-CG2 3.46Å; W29-V47 HydrophobicContact CE3-CG2 4.48Å; W29-V47 HydrophobicContact CG-CG2 3.81Å; W29-V47 HydrophobicContact CZ2-CG2 4.04Å; V47-K60 HydrophobicContact CG1-CB 3.86Å; V47-G61 CarbonylContact C-O 3.54Å; V47-G61 VanDerWaalsContact CA-O 3.29Å; V47-G61 WeakPolarHBondContact CA-O 3.47Å; V47-L62 HydrophobicContact CG2-CD1 4.5Å |
| 48 | G | 95.7 | Very high | 90.2 | Very high | 13 Ų | 13 | 58 Ų | 58 | 13% | 0.134 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.6 | 175.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G61 Q63 | G48-G61 PolarHBondContact N-O 3.23Å; G48-G61 PolarHBondContact O-N 3.04Å; G48-G61 VanDerWaalsContact O-O 3.11Å; G48-Q63 PolarHBondContact O-NE2 2.91Å |
| 49 | H | 93 | Very high | 90.4 | Very high | 58 Ų | 58 | 55.1 Ų | 55.1 | 27% | 0.269 | 29% | 0.286 | S | S | . | . | trans | -93.5 | -9.9 | -174.9 | 57.2 | 56.9 | 0 | 0 | 0 | 114.9 | Y53 D59 | H49-Y53 HydrophobicContact CB-CD1 4.05Å; H49-Y53 HydrophobicContact CB-CG 4.18Å; H49-Y53 AromaticContact CE1-CD1 3.52Å; H49-Y53 AromaticContact CE1-CE1 3.19Å; H49-Y53 WeakPolarHBondContact CE1-CE1 3.37Å; H49-Y53 AromaticContact CG-CD1 3.48Å; H49-Y53 VanDerWaalsContact CG-CD1 3.48Å; H49-Y53 AromaticContact CG-CE1 3.88Å; H49-Y53 AromaticContact ND1-CD1 3.05Å; H49-Y53 WeakPolarHBondContact ND1-CD1 3.35Å; H49-Y53 AromaticContact ND1-CE1 3.29Å; H49-Y53 VanDerWaalsContact ND1-CE1 3.29Å; H49-Y53 WeakPolarHBondContact ND1-CE1 3.5Å; H49-Y53 AromaticContact NE2-CE1 3.74Å; H49-D59 VanDerWaalsContact CA-O 3.23Å; H49-D59 WeakPolarHBondContact CA-O 3.44Å; H49-D59 HydrophobicContact CB-CB 4.48Å | ||
| 50 | G | 92.1 | Very high | 91.3 | Very high | 13 Ų | 13 | 55.2 Ų | 55.2 | 13% | 0.134 | 29% | 0.285 | C | S | . | . | trans | 81.8 | -168.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F52 Q97 | G50-F52 VanDerWaalsContact C-N 3.3Å; G50-F52 PolarHBondContact O-N 3.25Å; G50-Q97 VanDerWaalsContact C-OE1 3.3Å | ||
| 51 | D | 90.6 | Very high | 92.3 | Very high | 67 Ų | 67 | 48 Ų | 48 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -65.3 | -32.2 | -173.6 | -90.4 | -5 | 0 | 0 | 0 | 113.2 | R98 M347 | D51-R98 IonicContact OD2-NH2 2.62Å; D51-M347 WeakPolarHBondContact O-CE 3.23Å |
| 52 | F | 92.9 | Very high | 93 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | trans | -142 | 158.6 | -179.5 | 65.1 | -81.1 | 0 | 0 | 0 | 109.8 | G50 K95 E164 Y165 E340 M343 K344 M347 | G50-F52 VanDerWaalsContact C-N 3.3Å; G50-F52 PolarHBondContact O-N 3.25Å; F52-K95 PolarHBondContact O-NZ 3.19Å; F52-E164 HydrophobicContact CE1-CB 4.49Å; F52-E164 HydrophobicContact CZ-CB 4.07Å; F52-E164 WeakPolarHBondContact CZ-O 3.45Å; F52-Y165 HydrophobicContact CE2-CD1 4.01Å; F52-Y165 HydrophobicContact CE2-CE1 4.26Å; F52-Y165 HydrophobicContact CZ-CD1 4.47Å; F52-E340 HydrophobicContact CD2-CG 3.63Å; F52-E340 HydrophobicContact CE2-CG 3.62Å; F52-M343 HydrophobicContact CB-CG 4.29Å; F52-K344 HydrophobicContact CD1-CD 3.68Å; F52-K344 HydrophobicContact CD2-CB 3.71Å; F52-K344 HydrophobicContact CD2-CD 4.1Å; F52-K344 HydrophobicContact CD2-CG 4.23Å; F52-K344 HydrophobicContact CE1-CD 3.66Å; F52-K344 VanDerWaalsContact CE1-CE 3.49Å; F52-K344 HydrophobicContact CE1-CG 4.38Å; F52-K344 HydrophobicContact CE2-CB 3.78Å; F52-K344 HydrophobicContact CE2-CD 4.07Å; F52-K344 HydrophobicContact CE2-CG 3.99Å; F52-K344 HydrophobicContact CG-CB 4.22Å; F52-K344 HydrophobicContact CG-CD 3.87Å; F52-K344 HydrophobicContact CZ-CB 4.33Å; F52-K344 HydrophobicContact CZ-CD 3.82Å; F52-K344 HydrophobicContact CZ-CG 4.03Å; F52-M347 HydrophobicContact CB-CE 4.41Å; F52-M347 HydrophobicContact CB-SD 3.56Å; F52-M347 VanDerWaalsContact CB-SD 3.56Å | ||
| 53 | Y | 92.8 | Very high | 93.2 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 22% | 0.224 | 22% | 0.222 | C | C | . | . | trans | -162.3 | 167.6 | -170.9 | 43.7 | -89.8 | 0 | 0 | 0 | 109.8 | H49 P56 M343 | H49-Y53 HydrophobicContact CB-CD1 4.05Å; H49-Y53 HydrophobicContact CB-CG 4.18Å; H49-Y53 AromaticContact CE1-CD1 3.52Å; H49-Y53 AromaticContact CE1-CE1 3.19Å; H49-Y53 WeakPolarHBondContact CE1-CE1 3.37Å; H49-Y53 AromaticContact CG-CD1 3.48Å; H49-Y53 VanDerWaalsContact CG-CD1 3.48Å; H49-Y53 AromaticContact CG-CE1 3.88Å; H49-Y53 AromaticContact ND1-CD1 3.05Å; H49-Y53 WeakPolarHBondContact ND1-CD1 3.35Å; H49-Y53 AromaticContact ND1-CE1 3.29Å; H49-Y53 VanDerWaalsContact ND1-CE1 3.29Å; H49-Y53 WeakPolarHBondContact ND1-CE1 3.5Å; H49-Y53 AromaticContact NE2-CE1 3.74Å; Y53-P56 HydrophobicContact CD2-CB 3.86Å; Y53-P56 HydrophobicContact CD2-CG 4.29Å; Y53-P56 HydrophobicContact CE2-CB 3.48Å; Y53-P56 VanDerWaalsContact CE2-CB 3.48Å; Y53-P56 HydrophobicContact CE2-CG 3.79Å; Y53-M343 HydrophobicContact CD1-CE 3.99Å; Y53-M343 HydrophobicContact CD2-CE 4.15Å; Y53-M343 HydrophobicContact CD2-SD 4.07Å; Y53-M343 HydrophobicContact CE1-CE 3.63Å; Y53-M343 HydrophobicContact CE2-CE 3.8Å; Y53-M343 HydrophobicContact CE2-SD 4.08Å; Y53-M343 HydrophobicContact CG-CE 4.26Å; Y53-M343 HydrophobicContact CG-SD 4.4Å; Y53-M343 WeakPolarHBondContact O-CB 3.47Å | ||
| 54 | A | 90.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 43.4 Ų | 43.4 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -87.9 | -47.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D59 L336 I339 E340 | A54-D59 VanDerWaalsContact CA-OD2 3.28Å; A54-D59 WeakPolarHBondContact CA-OD2 3.36Å; A54-D59 VanDerWaalsContact CB-OD2 3.26Å; A54-D59 WeakPolarHBondContact CB-OD2 3.47Å; A54-D59 PolarHBondContact N-OD2 2.78Å; A54-L336 HydrophobicContact CB-CB 3.8Å; A54-L336 HydrophobicContact CB-CD2 3.69Å; A54-L336 HydrophobicContact CB-CG 4.33Å; A54-L336 VanDerWaalsContact CB-O 3.24Å; A54-L336 WeakPolarHBondContact CB-O 3.15Å; A54-I339 HydrophobicContact CB-CB 3.86Å; A54-I339 HydrophobicContact CB-CG2 3.96Å; A54-E340 HydrophobicContact CB-CB 4.17Å |
| 55 | D | 89.9 | Confident | 93.2 | Very high | 54 Ų | 54 | 40.6 Ų | 40.6 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | trans | -137 | 119.9 | 179.6 | -171.5 | -55.4 | 0 | 0 | 0 | 109.8 | E57 I58 D59 L336 | D55-E57 PolarHBondContact O-N 2.99Å; D55-E57 PolarHBondContact OD1-N 2.92Å; D55-I58 HydrophobicContact CB-CB 4.06Å; D55-I58 HydrophobicContact CB-CD1 4.23Å; D55-I58 HydrophobicContact CB-CG1 4.27Å; D55-I58 PolarHBondContact O-N 2.89Å; D55-I58 PolarHBondContact OD1-N 2.84Å; D55-D59 PolarHBondContact N-OD2 2.91Å; D55-D59 VanDerWaalsContact O-CB 3.28Å; D55-D59 WeakPolarHBondContact O-CB 3.4Å; D55-D59 VanDerWaalsContact O-CG 3.32Å; D55-D59 PolarHBondContact O-N 3.49Å; D55-L336 HydrophobicContact CB-CD2 4.38Å | ||
| 56 | P | 90.5 | Very high | 93.2 | Very high | 47 Ų | 47 | 42 Ų | 42 | 31% | 0.305 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19 | -174.3 | 26.6 | -32.2 | 0 | 0 | 0 | 114.2 | Y53 K60 | Y53-P56 HydrophobicContact CD2-CB 3.86Å; Y53-P56 HydrophobicContact CD2-CG 4.29Å; Y53-P56 HydrophobicContact CE2-CB 3.48Å; Y53-P56 VanDerWaalsContact CE2-CB 3.48Å; Y53-P56 HydrophobicContact CE2-CG 3.79Å; P56-K60 WeakPolarHBondContact O-CE 3.3Å |
| 57 | E | 87.8 | Confident | 93 | Very high | 121 Ų | 121 | 40.7 Ų | 40.7 | 57% | 0.565 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -34.7 | 178.8 | -65.3 | -55.2 | 134.2 | 0 | 0 | 111.9 | D55 K60 | D55-E57 PolarHBondContact O-N 2.99Å; D55-E57 PolarHBondContact OD1-N 2.92Å; E57-K60 IonicContact OE1-NZ 3.91Å; E57-K60 IonicContact OE2-NZ 3.68Å; E57-K60 PolarHBondContact OE2-NZ 3.13Å |
| 58 | I | 87.5 | Confident | 92.6 | Very high | 84 Ų | 84 | 44.8 Ų | 44.8 | 43% | 0.431 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -40.6 | -177.9 | -57.7 | 173.8 | 0 | 0 | 0 | 111.6 | D55 K60 L336 | D55-I58 HydrophobicContact CB-CB 4.06Å; D55-I58 HydrophobicContact CB-CD1 4.23Å; D55-I58 HydrophobicContact CB-CG1 4.27Å; D55-I58 PolarHBondContact O-N 2.89Å; D55-I58 PolarHBondContact OD1-N 2.84Å; I58-K60 PolarHBondContact O-N 2.99Å; I58-L336 HydrophobicContact CG2-CD1 4.43Å |
| 59 | D | 90.4 | Very high | 92.5 | Very high | 25 Ų | 25 | 48.3 Ų | 48.3 | 13% | 0.134 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -82.9 | 25 | -171.9 | -58.1 | -30.7 | 0 | 0 | 0 | 113.2 | H49 A54 D55 | H49-D59 VanDerWaalsContact CA-O 3.23Å; H49-D59 WeakPolarHBondContact CA-O 3.44Å; H49-D59 HydrophobicContact CB-CB 4.48Å; A54-D59 VanDerWaalsContact CA-OD2 3.28Å; A54-D59 WeakPolarHBondContact CA-OD2 3.36Å; A54-D59 VanDerWaalsContact CB-OD2 3.26Å; A54-D59 WeakPolarHBondContact CB-OD2 3.47Å; A54-D59 PolarHBondContact N-OD2 2.78Å; D55-D59 PolarHBondContact N-OD2 2.91Å; D55-D59 VanDerWaalsContact O-CB 3.28Å; D55-D59 WeakPolarHBondContact O-CB 3.4Å; D55-D59 VanDerWaalsContact O-CG 3.32Å; D55-D59 PolarHBondContact O-N 3.49Å |
| 60 | K | 94.6 | Very high | 92.4 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 23% | 0.226 | 25% | 0.247 | C | C | . | . | trans | -77.3 | 130 | 176.1 | -73.3 | 174.4 | -176.6 | 157.5 | 0 | 108.9 | V47 P56 E57 I58 D314 | V47-K60 HydrophobicContact CG1-CB 3.86Å; P56-K60 WeakPolarHBondContact O-CE 3.3Å; E57-K60 IonicContact OE1-NZ 3.91Å; E57-K60 IonicContact OE2-NZ 3.68Å; E57-K60 PolarHBondContact OE2-NZ 3.13Å; I58-K60 PolarHBondContact O-N 2.99Å; K60-D314 VanDerWaalsContact O-CG 3.24Å | ||
| 61 | G | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 170.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V47 G48 Q63 F313 | V47-G61 CarbonylContact C-O 3.54Å; V47-G61 VanDerWaalsContact CA-O 3.29Å; V47-G61 WeakPolarHBondContact CA-O 3.47Å; G48-G61 PolarHBondContact N-O 3.23Å; G48-G61 PolarHBondContact O-N 3.04Å; G48-G61 VanDerWaalsContact O-O 3.11Å; G61-Q63 PolarHBondContact O-N 2.67Å; G61-F313 CarbonylContact C-O 3.59Å; G61-F313 WeakPolarHBondContact CA-O 3.23Å |
| 62 | L | 97.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 127.8 | 177.3 | -173 | 74.3 | 0 | 0 | 0 | 110.4 | F23 W29 V45 Q46 V47 L73 F302 F313 | F23-L62 HydrophobicContact CE1-CB 4.15Å; F23-L62 HydrophobicContact CE2-CB 4.2Å; F23-L62 HydrophobicContact CZ-CB 3.83Å; W29-L62 HydrophobicContact CE3-CD1 4.22Å; W29-L62 HydrophobicContact CH2-CD1 4.25Å; W29-L62 HydrophobicContact CZ3-CD1 3.85Å; V45-L62 HydrophobicContact CB-CD1 4Å; V45-L62 HydrophobicContact CG1-CD1 4.42Å; V45-L62 HydrophobicContact CG2-CD1 4.34Å; Q46-L62 CarbonylContact O-C 3.21Å; Q46-L62 WeakPolarHBondContact O-CA 3.38Å; V47-L62 HydrophobicContact CG2-CD1 4.5Å; L62-L73 HydrophobicContact CD1-CD2 4.36Å; L62-L73 HydrophobicContact CD2-CD2 4.36Å; L62-F302 HydrophobicContact CD2-CD2 4.12Å; L62-F302 HydrophobicContact CD2-CE2 4.29Å; L62-F313 HydrophobicContact CB-CB 4.39Å; L62-F313 PolarHBondContact N-O 3.47Å; L62-F313 PolarHBondContact O-N 3.47Å |
| 63 | Q | 96.5 | Very high | 93 | Very high | 9 Ų | 9 | 46.6 Ų | 46.6 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 121.2 | -178.5 | -66.3 | -171.1 | 41.8 | 0 | 0 | 111.5 | V45 Q46 G48 G61 M65 V312 | V45-Q63 CarbonylContact C-O 3.54Å; V45-Q63 VanDerWaalsContact CA-O 3.27Å; V45-Q63 WeakPolarHBondContact CA-O 3.48Å; Q46-Q63 HydrophobicContact CG-CB 4Å; Q46-Q63 PolarHBondContact N-O 3.36Å; Q46-Q63 PolarHBondContact O-N 2.99Å; G48-Q63 PolarHBondContact O-NE2 2.91Å; G61-Q63 PolarHBondContact O-N 2.67Å; Q63-M65 HydrophobicContact CB-SD 4.17Å; Q63-V312 HydrophobicContact CG-CB 4.25Å; Q63-V312 HydrophobicContact CG-CG1 4.06Å; Q63-V312 HydrophobicContact CG-CG2 3.89Å |
| 64 | P | 95.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 141.4 | 157.8 | -21.5 | 35 | 0 | 0 | 0 | 110.8 | Y71 I306 P309 I311 F313 | P64-Y71 HydrophobicContact CB-CD1 4Å; P64-Y71 HydrophobicContact CB-CD2 4.22Å; P64-Y71 HydrophobicContact CB-CE1 3.57Å; P64-Y71 HydrophobicContact CB-CE2 3.81Å; P64-Y71 HydrophobicContact CB-CG 4.3Å; P64-Y71 VanDerWaalsContact CB-CZ 3.46Å; P64-Y71 HydrophobicContact CG-CD1 4.41Å; P64-Y71 HydrophobicContact CG-CE1 4.43Å; P64-I306 HydrophobicContact CB-CD1 3.69Å; P64-I306 HydrophobicContact CB-CG2 4.49Å; P64-I306 HydrophobicContact CG-CD1 3.3Å; P64-P309 HydrophobicContact CB-CB 4.08Å; P64-P309 WeakPolarHBondContact O-CB 3.46Å; P64-P309 VanDerWaalsContact O-O 3.06Å; P64-I311 WeakPolarHBondContact CD-O 3.44Å; P64-F313 HydrophobicContact CG-CE2 4.09Å |
| 65 | M | 94.7 | Very high | 93.6 | Very high | 79 Ų | 79 | 43.9 Ų | 43.9 | 39% | 0.389 | 21% | 0.211 | S | C | . | . | trans | -117.7 | -15.6 | -175.1 | -61.9 | -55.4 | -66.9 | 0 | 0 | 115.3 | K44 Q46 Q63 Y71 | K44-M65 HydrophobicContact CB-CB 4.31Å; K44-M65 VanDerWaalsContact O-CB 3.26Å; K44-M65 WeakPolarHBondContact O-CB 3.45Å; K44-M65 WeakPolarHBondContact O-CG 3.26Å; K44-M65 PolarHBondContact O-N 3.44Å; Q46-M65 HydrophobicContact CB-CG 4.35Å; Q46-M65 HydrophobicContact CB-SD 4.42Å; Q46-M65 VanDerWaalsContact CD-CE 3.42Å; Q46-M65 HydrophobicContact CG-CE 4.29Å; Q46-M65 HydrophobicContact CG-CG 3.98Å; Q46-M65 HydrophobicContact CG-SD 3.44Å; Q46-M65 WeakPolarHBondContact CG-SD 3.29Å; Q46-M65 PolarHBondContact NE2-SD 3.44Å; Q46-M65 VanDerWaalsContact NE2-SD 3.36Å; Q63-M65 HydrophobicContact CB-SD 4.17Å; M65-Y71 PolarHBondContact N-OH 3.02Å | ||
| 66 | E | 94.2 | Very high | 94 | Very high | 57 Ų | 57 | 48.1 Ų | 48.1 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -125.4 | 136 | -171.9 | -64.8 | 178.2 | 124.5 | 0 | 0 | 111.4 | G43 K44 R69 Y71 | G43-E66 WeakPolarHBondContact CA-OE2 3.48Å; K44-E66 HydrophobicContact CB-CG 4.48Å; K44-E66 PolarHBondContact N-OE2 3.13Å; E66-R69 HydrophobicContact CB-CG 3.76Å; E66-Y71 WeakPolarHBondContact CA-OH 3.48Å; E66-Y71 PolarHBondContact N-OH 3.45Å; E66-Y71 PolarHBondContact O-OH 3.3Å |
| 67 | S | 91.8 | Very high | 94.4 | Very high | 55 Ų | 55 | 46.3 Ų | 46.3 | 39% | 0.385 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -74.8 | 150.9 | 173.1 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | I307 P309 | S67-I307 WeakPolarHBondContact CA-O 3.43Å; S67-I307 WeakPolarHBondContact CB-O 3.49Å; S67-I307 PolarHBondContact OG-O 3.24Å; S67-P309 WeakPolarHBondContact OG-CD 3.46Å |
| 68 | F | 90.3 | Very high | 94.8 | Very high | 119 Ų | 119 | 45 Ų | 45 | 52% | 0.522 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 56.4 | 50.3 | 176.9 | -49.8 | -80.5 | 0 | 0 | 0 | 112 | W305 I306 I307 | F68-W305 HydrophobicContact CB-CH2 3.94Å; F68-W305 HydrophobicContact CB-CZ2 3.98Å; F68-W305 HydrophobicContact CD1-CZ2 4.16Å; F68-W305 WeakPolarHBondContact O-CH2 3.19Å; F68-I306 WeakPolarHBondContact CA-O 3.23Å; F68-I306 PolarHBondContact N-O 3.42Å; F68-I307 HydrophobicContact CD1-CG1 4.16Å; F68-I307 HydrophobicContact CD1-CG2 4.27Å; F68-I307 HydrophobicContact CE1-CB 4.36Å; F68-I307 HydrophobicContact CE1-CD1 4.32Å; F68-I307 HydrophobicContact CE1-CG1 4.13Å; F68-I307 HydrophobicContact CE1-CG2 3.63Å; F68-I307 HydrophobicContact CZ-CG2 3.78Å |
| 69 | R | 91.9 | Very high | 95.2 | Very high | 87 Ų | 87 | 44.6 Ų | 44.6 | 33% | 0.328 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 150.3 | 179.3 | -70 | -68.5 | -177.1 | -99.2 | 2 | 110.7 | E66 Y71 I306 | E66-R69 HydrophobicContact CB-CG 3.76Å; R69-Y71 HydrophobicContact CB-CD2 4.4Å; R69-Y71 HydrophobicContact CB-CE2 3.7Å; R69-I306 PolarHBondContact N-O 3.44Å; R69-I306 PolarHBondContact O-N 2.95Å; R69-I306 VanDerWaalsContact O-N 3.09Å |
| 70 | Y | 91.7 | Very high | 95.4 | Very high | 96 Ų | 96 | 47 Ų | 47 | 38% | 0.376 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 141.4 | 163.2 | -71.1 | -78.2 | 0 | 0 | 0 | 110 | E39 Q42 G43 L304 W305 | E39-Y70 WeakPolarHBondContact OE2-CD1 3.29Å; E39-Y70 VanDerWaalsContact OE2-CD2 3.32Å; E39-Y70 WeakPolarHBondContact OE2-CD2 3.47Å; Q42-Y70 PolarHBondContact OE1-O 3.41Å; G43-Y70 PolarHBondContact N-O 3.1Å; Y70-L304 CarbonylContact C-O 3.54Å; Y70-L304 WeakPolarHBondContact CA-O 3.28Å; Y70-W305 HydrophobicContact CD1-CB 4.29Å; Y70-W305 AromaticContact CD1-CE3 3.9Å; Y70-W305 HydrophobicContact CD1-CE3 3.9Å; Y70-W305 AromaticContact CD2-CE3 3.73Å; Y70-W305 HydrophobicContact CD2-CE3 3.73Å; Y70-W305 AromaticContact CD2-CZ3 3.77Å; Y70-W305 HydrophobicContact CD2-CZ3 3.77Å; Y70-W305 HydrophobicContact CE1-CB 4.08Å; Y70-W305 HydrophobicContact CE1-CD2 4.44Å; Y70-W305 AromaticContact CE1-CE3 3.81Å; Y70-W305 HydrophobicContact CE1-CE3 3.81Å; Y70-W305 AromaticContact CE2-CE3 3.63Å; Y70-W305 HydrophobicContact CE2-CE3 3.63Å; Y70-W305 AromaticContact CE2-CZ3 3.67Å; Y70-W305 HydrophobicContact CE2-CZ3 3.67Å; Y70-W305 AromaticContact CG-CE3 3.86Å; Y70-W305 HydrophobicContact CG-CE3 3.86Å; Y70-W305 HydrophobicContact CG-CZ3 4.31Å; Y70-W305 AromaticContact CZ-CE3 3.69Å |
| 71 | Y | 94.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 97.5 | 173.1 | -68.8 | -91.1 | 0 | 0 | 0 | 107.4 | G43 K44 V45 P64 M65 E66 R69 L73 F302 D303 L304 I306 | G43-Y71 VanDerWaalsContact C-CE1 3.48Å; G43-Y71 WeakPolarHBondContact O-CE1 3.2Å; K44-Y71 WeakPolarHBondContact O-CE1 3.45Å; V45-Y71 HydrophobicContact CG1-CD1 3.58Å; V45-Y71 HydrophobicContact CG1-CE1 3.82Å; P64-Y71 HydrophobicContact CB-CD1 4Å; P64-Y71 HydrophobicContact CB-CD2 4.22Å; P64-Y71 HydrophobicContact CB-CE1 3.57Å; P64-Y71 HydrophobicContact CB-CE2 3.81Å; P64-Y71 HydrophobicContact CB-CG 4.3Å; P64-Y71 VanDerWaalsContact CB-CZ 3.46Å; P64-Y71 HydrophobicContact CG-CD1 4.41Å; P64-Y71 HydrophobicContact CG-CE1 4.43Å; M65-Y71 PolarHBondContact N-OH 3.02Å; E66-Y71 WeakPolarHBondContact CA-OH 3.48Å; E66-Y71 PolarHBondContact N-OH 3.45Å; E66-Y71 PolarHBondContact O-OH 3.3Å; R69-Y71 HydrophobicContact CB-CD2 4.4Å; R69-Y71 HydrophobicContact CB-CE2 3.7Å; Y71-L73 HydrophobicContact CD1-CD1 4.35Å; Y71-F302 CarbonylContact O-C 3.39Å; Y71-D303 WeakPolarHBondContact O-CA 3.05Å; Y71-L304 PolarHBondContact N-O 3Å; Y71-L304 PolarHBondContact O-N 3.07Å; Y71-I306 HydrophobicContact CD2-CB 3.92Å; Y71-I306 HydrophobicContact CD2-CD1 3.66Å; Y71-I306 HydrophobicContact CD2-CG1 3.85Å; Y71-I306 HydrophobicContact CE2-CB 3.86Å; Y71-I306 HydrophobicContact CE2-CD1 4.12Å; Y71-I306 HydrophobicContact CE2-CG1 4.27Å; Y71-I306 HydrophobicContact CE2-CG2 4.5Å; Y71-I306 HydrophobicContact CG-CD1 4.17Å |
| 72 | Q | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 88.1 | 175.7 | -73.5 | 153 | -6.9 | 0 | 0 | 108.6 | S36 E39 F119 F302 D303 | S36-Q72 PolarHBondContact N-O 3.39Å; E39-Q72 PolarHBondContact OE2-NE2 2.97Å; Q72-F119 HydrophobicContact CB-CD1 4.14Å; Q72-F119 PolarHBondContact OE1-O 3.03Å; Q72-F302 CarbonylContact C-O 3.58Å; Q72-F302 VanDerWaalsContact CA-O 3.24Å; Q72-F302 WeakPolarHBondContact CA-O 3.35Å; Q72-D303 HydrophobicContact CG-CB 4.22Å; Q72-D303 VanDerWaalsContact CG-OD1 3.25Å; Q72-D303 WeakPolarHBondContact CG-OD1 3.5Å; Q72-D303 PolarHBondContact NE2-OD1 3.29Å; Q72-D303 VanDerWaalsContact NE2-OD1 3.1Å |
| 73 | L | 97.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 137.2 | 177.6 | -77.5 | 97.1 | 0 | 0 | 0 | 110 | W33 V34 Q35 V45 L62 Y71 G301 F302 | W33-L73 HydrophobicContact CE3-CB 4.04Å; W33-L73 HydrophobicContact CZ3-CB 4.44Å; V34-L73 WeakPolarHBondContact O-CA 3.48Å; Q35-L73 HydrophobicContact CB-CG 4.26Å; Q35-L73 HydrophobicContact CG-CD1 4.37Å; Q35-L73 HydrophobicContact CG-CG 4.25Å; V45-L73 HydrophobicContact CB-CD2 4.41Å; V45-L73 HydrophobicContact CG1-CD1 3.61Å; V45-L73 HydrophobicContact CG1-CD2 4.12Å; V45-L73 HydrophobicContact CG2-CD2 3.71Å; L62-L73 HydrophobicContact CD1-CD2 4.36Å; L62-L73 HydrophobicContact CD2-CD2 4.36Å; Y71-L73 HydrophobicContact CD1-CD1 4.35Å; L73-G301 CarbonylContact O-C 3.58Å; L73-G301 WeakPolarHBondContact O-CA 3.46Å; L73-F302 PolarHBondContact N-O 3.48Å; L73-F302 PolarHBondContact O-N 3.01Å |
| 74 | S | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 154.6 | 179.7 | 58.1 | 0 | 0 | 0 | 0 | 112 | V34 L116 V300 | V34-S74 PolarHBondContact N-O 3.47Å; V34-S74 PolarHBondContact O-N 2.85Å; S74-L116 WeakPolarHBondContact OG-CB 3.5Å; S74-L116 WeakPolarHBondContact OG-CD2 3.4Å; S74-V300 CarbonylContact C-O 3.53Å; S74-V300 WeakPolarHBondContact CA-O 3.34Å; S74-V300 VanDerWaalsContact CB-O 3.28Å; S74-V300 WeakPolarHBondContact CB-O 3.41Å |
| 75 | R | 98.1 | Very high | 94.6 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 144.2 | -179.3 | 162.1 | 171.3 | -173.4 | -157.8 | -5.4 | 109.3 | L19 E21 R32 W33 D78 A299 V300 | L19-R75 VanDerWaalsContact CD1-CZ 3.43Å; E21-R75 IonicContact OE2-CZ 3.08Å; E21-R75 IonicContact OE2-NH1 3.5Å; E21-R75 PolarHBondContact OE2-NH1 3.4Å; R32-R75 HydrophobicContact CB-CG 4.42Å; R32-R75 WeakPolarHBondContact O-CB 3.39Å; R32-R75 WeakPolarHBondContact O-CG 3.39Å; W33-R75 HydrophobicContact CD2-CB 3.84Å; W33-R75 HydrophobicContact CE3-CB 4.04Å; W33-R75 HydrophobicContact CG-CB 4.21Å; W33-R75 HydrophobicContact CZ2-CB 4.34Å; W33-R75 HydrophobicContact CZ3-CB 4.41Å; R75-D78 IonicContact CZ-OD1 3.38Å; R75-D78 IonicContact NH2-OD1 3.52Å; R75-D78 PolarHBondContact NH2-OD1 3.49Å; R75-D78 IonicContact NH2-OD2 2.82Å; R75-A299 CarbonylContact O-C 3.58Å; R75-A299 WeakPolarHBondContact O-CA 3.4Å; R75-A299 VanDerWaalsContact O-CB 3.22Å; R75-A299 WeakPolarHBondContact O-CB 3.35Å; R75-V300 HydrophobicContact CB-CG1 4.48Å; R75-V300 PolarHBondContact N-O 2.91Å; R75-V300 PolarHBondContact O-N 2.97Å |
| 76 | K | 98.5 | Very high | 94.4 | Very high | 143 Ų | 143 | 54.4 Ų | 54.4 | 62% | 0.622 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 141.8 | 168.9 | -66 | -175.2 | -178.9 | 173.2 | 0 | 110.5 | L116 G298 | K76-L116 HydrophobicContact CG-CD1 3.83Å; K76-G298 WeakPolarHBondContact CA-O 3.22Å |
| 77 | L | 98.2 | Very high | 94.4 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 152.6 | 167.1 | -56.4 | -170.5 | 0 | 0 | 0 | 109.7 | L19 V79 F81 I297 G298 V300 I318 | L19-L77 HydrophobicContact CB-CD2 3.94Å; L19-L77 HydrophobicContact CD2-CD2 3.92Å; L19-L77 HydrophobicContact CG-CD2 4.47Å; L77-V79 PolarHBondContact O-N 3.26Å; L77-F81 HydrophobicContact CD1-CD1 3.88Å; L77-F81 HydrophobicContact CD1-CE1 3.6Å; L77-I297 HydrophobicContact CD1-CG2 3.77Å; L77-G298 PolarHBondContact N-O 2.92Å; L77-V300 HydrophobicContact CD2-CB 4.24Å; L77-V300 HydrophobicContact CD2-CG1 4.36Å; L77-I318 HydrophobicContact CD2-CD1 3.56Å |
| 78 | D | 96.8 | Very high | 94.6 | Very high | 94 Ų | 94 | 50 Ų | 50 | 50% | 0.503 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | -35.9 | 176.7 | -61.2 | -36.8 | 0 | 0 | 0 | 110.4 | Y18 R75 | Y18-D78 PolarHBondContact O-N 2.86Å; R75-D78 IonicContact CZ-OD1 3.38Å; R75-D78 IonicContact NH2-OD1 3.52Å; R75-D78 PolarHBondContact NH2-OD1 3.49Å; R75-D78 IonicContact NH2-OD2 2.82Å |
| 79 | V | 94.4 | Very high | 94.9 | Very high | 74 Ų | 74 | 44.3 Ų | 44.3 | 45% | 0.448 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 112.3 | 174.1 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | Y18 L77 | Y18-V79 HydrophobicContact CD1-CB 4.31Å; Y18-V79 WeakPolarHBondContact CD1-O 3.5Å; L77-V79 PolarHBondContact O-N 3.26Å |
| 80 | P | 95.9 | Very high | 95.2 | Very high | 77 Ų | 77 | 40.2 Ų | 40.2 | 50% | 0.5 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 144.4 | 169.6 | -21.5 | 32.9 | 0 | 0 | 0 | 111.4 | I297 | P80-I297 CarbonylContact C-O 3.53Å; P80-I297 VanDerWaalsContact CA-O 3.25Å; P80-I297 WeakPolarHBondContact CA-O 3.38Å |
| 81 | F | 96.1 | Very high | 95.5 | Very high | 15 Ų | 15 | 35.6 Ų | 35.6 | 7% | 0.066 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 175.8 | -175.6 | 74.4 | -71.3 | 0 | 0 | 0 | 112.4 | Y18 L77 T83 L88 S296 I297 I318 | Y18-F81 HydrophobicContact CD1-CB 3.67Å; Y18-F81 AromaticContact CD1-CD1 3.57Å; Y18-F81 HydrophobicContact CD1-CD1 3.57Å; Y18-F81 HydrophobicContact CD1-CD2 4.29Å; Y18-F81 HydrophobicContact CD1-CE1 4.26Å; Y18-F81 AromaticContact CD1-CG 3.59Å; Y18-F81 HydrophobicContact CD1-CG 3.59Å; Y18-F81 AromaticContact CD2-CD1 3.84Å; Y18-F81 HydrophobicContact CD2-CD1 3.84Å; Y18-F81 AromaticContact CD2-CD2 3.98Å; Y18-F81 HydrophobicContact CD2-CD2 3.98Å; Y18-F81 AromaticContact CD2-CE1 3.72Å; Y18-F81 HydrophobicContact CD2-CE1 3.72Å; Y18-F81 AromaticContact CD2-CE2 3.86Å; Y18-F81 HydrophobicContact CD2-CE2 3.86Å; Y18-F81 AromaticContact CD2-CG 3.97Å; Y18-F81 HydrophobicContact CD2-CG 3.97Å; Y18-F81 AromaticContact CD2-CZ 3.72Å; Y18-F81 HydrophobicContact CD2-CZ 3.72Å; Y18-F81 HydrophobicContact CE1-CB 3.32Å; Y18-F81 AromaticContact CE1-CD1 3.98Å; Y18-F81 HydrophobicContact CE1-CD1 3.98Å; Y18-F81 AromaticContact CE1-CD2 3.9Å; Y18-F81 HydrophobicContact CE1-CD2 3.9Å; Y18-F81 AromaticContact CE1-CG 3.48Å; Y18-F81 HydrophobicContact CE1-CG 3.48Å; Y18-F81 VanDerWaalsContact CE1-CG 3.48Å; Y18-F81 HydrophobicContact CE2-CD1 4.22Å; Y18-F81 AromaticContact CE2-CD2 3.55Å; Y18-F81 HydrophobicContact CE2-CD2 3.55Å; Y18-F81 HydrophobicContact CE2-CE1 4.29Å; Y18-F81 AromaticContact CE2-CE2 3.63Å; Y18-F81 HydrophobicContact CE2-CE2 3.63Å; Y18-F81 AromaticContact CE2-CG 3.87Å; Y18-F81 HydrophobicContact CE2-CG 3.87Å; Y18-F81 HydrophobicContact CE2-CZ 4.01Å; Y18-F81 HydrophobicContact CG-CB 4.42Å; Y18-F81 AromaticContact CG-CD1 3.5Å; Y18-F81 HydrophobicContact CG-CD1 3.5Å; Y18-F81 VanDerWaalsContact CG-CD1 3.5Å; Y18-F81 HydrophobicContact CG-CD2 4.33Å; Y18-F81 AromaticContact CG-CE1 3.7Å; Y18-F81 HydrophobicContact CG-CE1 3.7Å; Y18-F81 HydrophobicContact CG-CE2 4.5Å; Y18-F81 AromaticContact CG-CG 3.85Å; Y18-F81 HydrophobicContact CG-CG 3.85Å; Y18-F81 HydrophobicContact CG-CZ 4.2Å; Y18-F81 AromaticContact CZ-CD2 3.5Å; Y18-F81 AromaticContact CZ-CG 3.63Å; L77-F81 HydrophobicContact CD1-CD1 3.88Å; L77-F81 HydrophobicContact CD1-CE1 3.6Å; F81-T83 HydrophobicContact CE2-CG2 4.48Å; F81-L88 HydrophobicContact CE2-CD1 3.96Å; F81-L88 HydrophobicContact CZ-CD1 3.58Å; F81-S296 CarbonylContact O-C 3.53Å; F81-S296 WeakPolarHBondContact O-CA 3.4Å; F81-I297 HydrophobicContact CD1-CB 4.3Å; F81-I297 HydrophobicContact CE1-CB 4.01Å; F81-I297 HydrophobicContact CE1-CD1 4.19Å; F81-I297 HydrophobicContact CE1-CG2 4.14Å; F81-I297 HydrophobicContact CE2-CD1 4.18Å; F81-I297 HydrophobicContact CZ-CB 4.49Å; F81-I297 HydrophobicContact CZ-CD1 3.8Å; F81-I297 PolarHBondContact N-O 3.38Å; F81-I297 PolarHBondContact O-N 2.67Å; F81-I318 HydrophobicContact CE1-CG2 3.77Å; F81-I318 HydrophobicContact CZ-CG2 3.69Å |
| 82 | N | 93.9 | Very high | 95.6 | Very high | 72 Ų | 72 | 35.4 Ų | 35.4 | 39% | 0.385 | 20% | 0.198 | S | C | . | . | trans | -129.5 | 167.8 | 166.7 | 67.4 | 56.3 | 0 | 0 | 0 | 109.1 | L84 | N82-L84 WeakPolarHBondContact OD1-CB 3.33Å; N82-L84 PolarHBondContact OD1-N 2.62Å; N82-L84 VanDerWaalsContact OD1-N 3.09Å | ||
| 83 | T | 91.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | trans | -92.1 | -0.4 | -174 | 58 | 0 | 0 | 0 | 0 | 113.7 | F81 G85 K86 L88 Q291 H294 I297 | F81-T83 HydrophobicContact CE2-CG2 4.48Å; T83-G85 PolarHBondContact O-N 2.95Å; T83-K86 PolarHBondContact O-N 2.97Å; T83-K86 VanDerWaalsContact O-N 3.16Å; T83-L88 HydrophobicContact CG2-CB 3.91Å; T83-L88 HydrophobicContact CG2-CD2 4.26Å; T83-Q291 PolarHBondContact O-NE2 3.04Å; T83-H294 HydrophobicContact CG2-CB 4.01Å; T83-H294 PolarHBondContact OG1-CD2 3.07Å; T83-H294 VanDerWaalsContact OG1-CD2 3.31Å; T83-H294 PolarHBondContact OG1-N 3.25Å; T83-I297 HydrophobicContact CG2-CD1 4.11Å | ||
| 84 | L | 91 | Very high | 95.5 | Very high | 80 Ų | 80 | 35.6 Ų | 35.6 | 42% | 0.419 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 127.3 | -174.8 | -67.1 | 175.7 | 0 | 0 | 0 | 111 | N82 K86 Q291 D293 | N82-L84 WeakPolarHBondContact OD1-CB 3.33Å; N82-L84 PolarHBondContact OD1-N 2.62Å; N82-L84 VanDerWaalsContact OD1-N 3.09Å; L84-K86 PolarHBondContact O-N 3.17Å; L84-K86 VanDerWaalsContact O-N 3.15Å; L84-Q291 HydrophobicContact CD2-CG 4.46Å; L84-D293 HydrophobicContact CD2-CB 3.97Å; L84-D293 HydrophobicContact CG-CB 4.43Å |
| 85 | G | 90 | Very high | 95.3 | Very high | 57 Ų | 57 | 35.9 Ų | 35.9 | 59% | 0.588 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | -1.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T83 | T83-G85 PolarHBondContact O-N 2.95Š|
| 86 | K | 91.7 | Very high | 95.1 | Very high | 77 Ų | 77 | 35.5 Ų | 35.5 | 34% | 0.335 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -126.3 | 155.7 | -172.1 | -66.4 | 175.7 | 165.8 | -135.3 | 0 | 112 | Y18 T83 L84 D320 | Y18-K86 PolarHBondContact OH-NZ 3.36Å; T83-K86 PolarHBondContact O-N 2.97Å; T83-K86 VanDerWaalsContact O-N 3.16Å; L84-K86 PolarHBondContact O-N 3.17Å; L84-K86 VanDerWaalsContact O-N 3.15Å; K86-D320 HydrophobicContact CB-CB 4.19Å; K86-D320 WeakPolarHBondContact CD-OD2 3.31Å; K86-D320 IonicContact NZ-OD2 3.29Å; K86-D320 PolarHBondContact NZ-OD2 3.08Å |
| 87 | S | 93.2 | Very high | 94.8 | Very high | 19 Ų | 19 | 29.2 Ų | 29.2 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | trans | -75 | 148.4 | 167 | -55.9 | 0 | 0 | 0 | 0 | 109 | I173 H174 D320 | S87-I173 CarbonylContact C-O 3.52Å; S87-I173 VanDerWaalsContact CA-O 3.22Å; S87-I173 WeakPolarHBondContact CA-O 3.41Å; S87-H174 PolarHBondContact OG-ND1 2.82Å; S87-D320 VanDerWaalsContact O-CA 3.26Å; S87-D320 WeakPolarHBondContact O-CA 3.4Å; S87-D320 VanDerWaalsContact O-CB 3.23Å; S87-D320 WeakPolarHBondContact O-CB 3.47Å | ||
| 88 | L | 95.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126 | 160.5 | 168 | 64.1 | 0 | 0 | 0 | 107.2 | F81 T83 L109 I127 I172 I173 I297 I318 | F81-L88 HydrophobicContact CE2-CD1 3.96Å; F81-L88 HydrophobicContact CZ-CD1 3.58Å; T83-L88 HydrophobicContact CG2-CB 3.91Å; T83-L88 HydrophobicContact CG2-CD2 4.26Å; L88-L109 HydrophobicContact CD1-CD1 4.11Å; L88-L109 HydrophobicContact CD2-CD1 3.9Å; L88-I127 HydrophobicContact CD2-CD1 3.33Å; L88-I172 CarbonylContact O-C 3.13Å; L88-I172 VanDerWaalsContact O-CA 3.32Å; L88-I172 WeakPolarHBondContact O-CA 3.38Å; L88-I173 HydrophobicContact CB-CB 4.37Å; L88-I173 HydrophobicContact CD2-CD1 4.28Å; L88-I173 PolarHBondContact N-O 2.81Å; L88-I173 PolarHBondContact O-N 2.92Å; L88-I297 HydrophobicContact CD1-CD1 4.39Å; L88-I297 HydrophobicContact CD2-CD1 4.43Å; L88-I318 HydrophobicContact CD1-CG2 4.27Å |
| 89 | V | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.3 | 167.3 | -169.3 | 0 | 0 | 0 | 0 | 108.2 | T170 L171 I172 I318 T319 T322 V325 | V89-T170 HydrophobicContact CG1-CG2 3.96Å; V89-L171 WeakPolarHBondContact CA-O 3.38Å; V89-I172 HydrophobicContact CG1-CG1 3.97Å; V89-I172 HydrophobicContact CG2-CG1 4.29Å; V89-I172 HydrophobicContact CG2-CG2 4.37Å; V89-I318 VanDerWaalsContact O-CA 3.3Å; V89-I318 WeakPolarHBondContact O-CA 3.35Å; V89-T319 HydrophobicContact CB-CG2 3.89Å; V89-T319 WeakPolarHBondContact CB-O 3.22Å; V89-T319 HydrophobicContact CG1-CG2 4.44Å; V89-T319 HydrophobicContact CG2-CG2 4.35Å; V89-T319 PolarHBondContact N-O 3.24Å; V89-T319 PolarHBondContact O-N 3.42Å; V89-T322 HydrophobicContact CG2-CG2 3.81Å; V89-V325 HydrophobicContact CB-CG2 4.14Å; V89-V325 HydrophobicContact CG1-CB 4.11Å; V89-V325 HydrophobicContact CG1-CG1 4.2Å; V89-V325 HydrophobicContact CG1-CG2 3.4Å |
| 90 | L | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 118.4 | 172.8 | 166 | 63.3 | 0 | 0 | 0 | 107.7 | I107 L109 F129 T170 L171 I318 | L90-I107 HydrophobicContact CD1-CG2 4.05Å; L90-I107 HydrophobicContact CD2-CG2 3.74Å; L90-I107 HydrophobicContact CG-CG2 4.27Å; L90-L109 HydrophobicContact CD1-CD2 4.24Å; L90-L109 HydrophobicContact CD2-CD1 4.13Å; L90-L109 HydrophobicContact CD2-CD2 4.3Å; L90-L109 HydrophobicContact CD2-CG 4.05Å; L90-F129 HydrophobicContact CD2-CB 4.02Å; L90-F129 HydrophobicContact CD2-CD1 4.03Å; L90-F129 HydrophobicContact CD2-CG 4.47Å; L90-F129 HydrophobicContact CG-CD1 4.31Å; L90-T170 CarbonylContact O-C 3.55Å; L90-T170 WeakPolarHBondContact O-CA 3.35Å; L90-L171 PolarHBondContact N-O 2.63Å; L90-L171 PolarHBondContact O-N 2.76Å; L90-I318 HydrophobicContact CD1-CD1 4.19Å; L90-I318 HydrophobicContact CD1-CG1 3.82Å |
| 91 | Q | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 147.6 | 175.1 | -178 | 161.1 | -76.7 | 0 | 0 | 110.7 | F168 Y169 T170 I316 L317 V325 D329 | Q91-F168 HydrophobicContact CG-CD1 3.86Å; Q91-Y169 WeakPolarHBondContact CA-O 3.43Å; Q91-T170 HydrophobicContact CB-CG2 4.16Å; Q91-T170 PolarHBondContact OE1-OG1 2.92Å; Q91-I316 CarbonylContact O-C 3.53Å; Q91-I316 WeakPolarHBondContact O-CA 3.41Å; Q91-L317 HydrophobicContact CB-CB 4.33Å; Q91-L317 PolarHBondContact N-O 3.46Å; Q91-L317 PolarHBondContact O-N 2.84Å; Q91-V325 HydrophobicContact CB-CG1 4.2Å; Q91-V325 HydrophobicContact CG-CG1 4.42Å; Q91-D329 PolarHBondContact NE2-OD1 3.25Å; Q91-D329 PolarHBondContact OE1-OD1 2.77Å; Q91-D329 PolarHBondContact OE1-OD2 2.98Å |
| 92 | Y | 97.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 161.4 | 163.9 | 67.2 | -66.6 | 0 | 0 | 0 | 109.3 | V94 A105 Y106 I107 F129 G130 P131 Y169 F302 F313 N315 | Y92-V94 HydrophobicContact CD2-CG2 3.72Å; Y92-V94 HydrophobicContact CE2-CG2 3.23Å; Y92-A105 WeakPolarHBondContact CE2-O 3.26Å; Y92-A105 PolarHBondContact OH-O 3.34Å; Y92-Y106 WeakPolarHBondContact OH-CA 3.27Å; Y92-I107 HydrophobicContact CD1-CG2 3.94Å; Y92-I107 HydrophobicContact CE1-CB 4.14Å; Y92-I107 HydrophobicContact CE1-CG2 3.57Å; Y92-F129 HydrophobicContact CE1-CD1 4.11Å; Y92-F129 HydrophobicContact CE1-CE1 4.37Å; Y92-F129 PolarHBondContact OH-O 2.88Å; Y92-G130 WeakPolarHBondContact OH-CA 3.48Å; Y92-P131 WeakPolarHBondContact OH-CD 3.2Å; Y92-Y169 PolarHBondContact N-O 2.99Å; Y92-Y169 PolarHBondContact O-N 3.22Å; Y92-F302 HydrophobicContact CD2-CE1 4.48Å; Y92-F302 HydrophobicContact CE2-CE1 4.31Å; Y92-F313 HydrophobicContact CD2-CD1 4.35Å; Y92-F313 HydrophobicContact CE2-CD1 4.16Å; Y92-N315 WeakPolarHBondContact CA-O 3.43Å |
| 93 | S | 95.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 141.9 | 174.1 | 58.9 | 0 | 0 | 0 | 0 | 111.6 | H167 F313 D314 N315 | S93-H167 CarbonylContact C-O 3.46Å; S93-H167 VanDerWaalsContact CA-O 3.25Å; S93-H167 WeakPolarHBondContact CA-O 3.37Å; S93-F313 WeakPolarHBondContact O-CA 3.43Å; S93-D314 PolarHBondContact N-O 3.12Å; S93-D314 PolarHBondContact O-N 3.02Å; S93-D314 VanDerWaalsContact OG-C 3.25Å; S93-D314 WeakPolarHBondContact OG-CB 3.26Å; S93-D314 PolarHBondContact OG-O 3.05Å; S93-D314 VanDerWaalsContact OG-O 3.06Å; S93-N315 PolarHBondContact OG-ND2 2.76Å |
| 94 | V | 95.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.024 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.8 | 172.2 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | Y92 A105 P131 H167 Y169 I311 V312 F313 | Y92-V94 HydrophobicContact CD2-CG2 3.72Å; Y92-V94 HydrophobicContact CE2-CG2 3.23Å; V94-A105 HydrophobicContact CG1-CB 3.84Å; V94-A105 HydrophobicContact CG2-CB 4.4Å; V94-P131 HydrophobicContact CB-CG 4.31Å; V94-P131 HydrophobicContact CG1-CG 4.32Å; V94-P131 HydrophobicContact CG2-CG 4Å; V94-H167 PolarHBondContact N-O 3.35Å; V94-H167 PolarHBondContact O-N 2.91Å; V94-Y169 HydrophobicContact CB-CD2 4.34Å; V94-Y169 HydrophobicContact CB-CE2 4.13Å; V94-Y169 HydrophobicContact CG2-CD2 4.19Å; V94-Y169 HydrophobicContact CG2-CE2 4.38Å; V94-I311 HydrophobicContact CG1-CG2 3.86Å; V94-V312 WeakPolarHBondContact CA-O 3.39Å; V94-F313 HydrophobicContact CG2-CD1 4.09Å; V94-F313 HydrophobicContact CG2-CE1 4.22Å |
| 95 | K | 94.8 | Very high | 92.1 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.5 | 170.7 | 179.3 | -175.9 | -176 | 152.6 | 0 | 110 | F52 I311 V312 E340 | F52-K95 PolarHBondContact O-NZ 3.19Å; K95-I311 CarbonylContact O-C 3.57Å; K95-I311 VanDerWaalsContact O-CA 3.25Å; K95-I311 WeakPolarHBondContact O-CA 3.31Å; K95-V312 HydrophobicContact CB-CB 4.11Å; K95-V312 HydrophobicContact CB-CG2 4.41Å; K95-V312 HydrophobicContact CD-CG2 4.3Å; K95-V312 PolarHBondContact N-O 2.79Å; K95-V312 PolarHBondContact O-N 3.07Å; K95-E340 WeakPolarHBondContact CE-OE1 3.42Å; K95-E340 IonicContact NZ-OE1 3.27Å; K95-E340 PolarHBondContact NZ-OE1 2.79Å |
| 96 | N | 94.1 | Very high | 92.5 | Very high | 11 Ų | 11 | 26.5 Ų | 26.5 | 6% | 0.059 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 110.8 | 168.9 | -60.5 | -33.8 | 0 | 0 | 0 | 108 | R98 I100 E164 E310 | N96-R98 PolarHBondContact O-N 3.43Å; N96-R98 VanDerWaalsContact O-N 3.09Å; N96-I100 HydrophobicContact CB-CD1 3.76Å; N96-I100 HydrophobicContact CB-CG1 3.95Å; N96-I100 WeakPolarHBondContact OD1-CD1 3.43Å; N96-E164 CarbonylContact O-C 3.42Å; N96-E164 WeakPolarHBondContact O-CA 3.08Å; N96-E164 WeakPolarHBondContact O-CB 3.47Å; N96-E310 CarbonylContact C-O 3.5Å |
| 97 | Q | 91.1 | Very high | 92.8 | Very high | 11 Ų | 11 | 22.9 Ų | 22.9 | 5% | 0.051 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -68.7 | -15.9 | -176.1 | -54.8 | -177.1 | 55.9 | 0 | 0 | 113.1 | G50 E310 V312 | G50-Q97 VanDerWaalsContact C-OE1 3.3Å; Q97-E310 HydrophobicContact CB-CB 4.17Å; Q97-E310 PolarHBondContact N-O 2.81Å; Q97-V312 HydrophobicContact CG-CG2 3.93Å |
| 98 | R | 89.3 | Confident | 93 | Very high | 117 Ų | 117 | 22.1 Ų | 22.1 | 44% | 0.442 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -146.4 | 166.3 | 177.2 | -62 | -175.3 | -172 | 179.5 | 4.5 | 109.6 | D51 N96 I100 E164 E310 | D51-R98 IonicContact OD2-NH2 2.62Å; N96-R98 PolarHBondContact O-N 3.43Å; N96-R98 VanDerWaalsContact O-N 3.09Å; R98-I100 VanDerWaalsContact O-CG1 3.31Å; R98-I100 WeakPolarHBondContact O-CG1 3.37Å; R98-I100 PolarHBondContact O-N 2.89Å; R98-E164 WeakPolarHBondContact CA-OE1 3.18Å; R98-E310 WeakPolarHBondContact CD-OE2 3.46Å; R98-E310 WeakPolarHBondContact CG-OE2 3.3Å; R98-E310 IonicContact CZ-OE1 2.74Å; R98-E310 IonicContact CZ-OE2 2.93Å; R98-E310 IonicContact NE-OE1 3.33Å; R98-E310 PolarHBondContact NE-OE1 3.18Å; R98-E310 IonicContact NE-OE2 2.9Å; R98-E310 PolarHBondContact NE-OE2 2.85Å; R98-E310 VanDerWaalsContact NE-OE2 3.1Å; R98-E310 IonicContact NH1-OE1 2.75Å; R98-E310 PolarHBondContact NH1-OE1 2.88Å; R98-E310 IonicContact NH2-OE1 3.88Å; R98-E310 IonicContact NH2-OE2 2.82Å |
| 99 | N | 86.3 | Confident | 93.2 | Very high | 110 Ų | 110 | 22.1 Ų | 22.1 | 59% | 0.588 | 11% | 0.11 | S | C | * | . | trans | -54.4 | 110.4 | 166.2 | -70.6 | -20.7 | 0 | 0 | 0 | 111.5 | E164 | N99-E164 PolarHBondContact N-OE1 3.25Š| ||
| 100 | I | 85.7 | Confident | 93.2 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.015 | 11% | 0.11 | C | C | . | . | trans | -85.7 | 133.6 | -179.9 | -60.3 | -170.7 | 0 | 0 | 0 | 109.9 | N96 R98 A103 I133 R139 I311 | N96-I100 HydrophobicContact CB-CD1 3.76Å; N96-I100 HydrophobicContact CB-CG1 3.95Å; N96-I100 WeakPolarHBondContact OD1-CD1 3.43Å; R98-I100 VanDerWaalsContact O-CG1 3.31Å; R98-I100 WeakPolarHBondContact O-CG1 3.37Å; R98-I100 PolarHBondContact O-N 2.89Å; I100-A103 HydrophobicContact CG2-CB 3.73Å; I100-I133 HydrophobicContact CG2-CG2 4.49Å; I100-R139 PolarHBondContact O-NH2 2.94Å; I100-I311 HydrophobicContact CD1-CD1 3.7Å; I100-I311 HydrophobicContact CD1-CG1 3.24Å | ||
| 101 | N | 84.5 | Confident | 93.2 | Very high | 115 Ų | 115 | 23.5 Ų | 23.5 | 62% | 0.615 | 12% | 0.119 | S | C | * | . | S | Bend | trans | -85.4 | -48.1 | 173.7 | -73.3 | -15 | 0 | 0 | 0 | 111.5 | C134 G135 | N101-C134 CarbonylContact O-C 3.43Å; N101-G135 PolarHBondContact O-N 3.1Å |
| 102 | C | 87.6 | Confident | 93.1 | Very high | 25 Ų | 25 | 25.7 Ų | 25.7 | 17% | 0.169 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 116 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | I133 C134 I307 | C102-I133 CarbonylContact C-O 3.49Å; C102-I133 WeakPolarHBondContact CA-O 3.49Å; C102-C134 HydrophobicContact CB-CB 3.92Å; C102-C134 WeakPolarHBondContact CB-SG 3.43Å; C102-C134 WeakPolarHBondContact SG-CB 3.41Å; C102-C134 CovalentContact SG-SG 2.06Å; C102-C134 PolarHBondContact SG-SG 3.38Å; C102-I307 HydrophobicContact CB-CD1 4.08Å |
| 103 | A | 85.4 | Confident | 93 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 133.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | I100 I133 I311 | I100-A103 HydrophobicContact CG2-CB 3.73Å; A103-I133 CarbonylContact C-O 3.56Å; A103-I133 PolarHBondContact N-O 3.12Å; A103-I133 PolarHBondContact O-N 3.45Å; A103-I133 VanDerWaalsContact O-N 3.09Å; A103-I133 VanDerWaalsContact O-O 3.14Å; A103-I311 HydrophobicContact CB-CD1 3.45Å; A103-I311 VanDerWaalsContact CB-CD1 3.45Å |
| 104 | G | 88.8 | Confident | 93.1 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 6% | 0.062 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 138.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | L304 | G104-L304 WeakPolarHBondContact O-CD2 3.47Å |
| 105 | A | 95.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | trans | -134.5 | 37.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y92 V94 P131 F313 | Y92-A105 WeakPolarHBondContact CE2-O 3.26Å; Y92-A105 PolarHBondContact OH-O 3.34Å; V94-A105 HydrophobicContact CG1-CB 3.84Å; V94-A105 HydrophobicContact CG2-CB 4.4Å; A105-P131 CarbonylContact C-O 3.56Å; A105-P131 WeakPolarHBondContact CA-O 3.47Å; A105-P131 HydrophobicContact CB-CG 3.93Å; A105-P131 PolarHBondContact N-O 3.34Å; A105-P131 WeakPolarHBondContact O-CD 3.28Å; A105-F313 HydrophobicContact CB-CE1 3.62Å; A105-F313 HydrophobicContact CB-CZ 3.81Å | ||
| 106 | Y | 96.8 | Very high | 93.3 | Very high | 41 Ų | 41 | 35.4 Ų | 35.4 | 16% | 0.161 | 21% | 0.21 | C | C | . | . | trans | -95.2 | 153.3 | 179.1 | 49.9 | -101.6 | 0 | 0 | 0 | 113.1 | Y92 M128 F129 P131 D132 D303 L304 | Y92-Y106 WeakPolarHBondContact OH-CA 3.27Å; Y106-M128 HydrophobicContact CD2-CE 4.15Å; Y106-M128 HydrophobicContact CD2-CG 3.65Å; Y106-M128 HydrophobicContact CD2-SD 3.76Å; Y106-M128 HydrophobicContact CE2-CE 3.85Å; Y106-M128 HydrophobicContact CE2-CG 4.32Å; Y106-M128 HydrophobicContact CE2-SD 3.92Å; Y106-M128 HydrophobicContact CG-CG 4.01Å; Y106-M128 HydrophobicContact CG-SD 4.1Å; Y106-F129 WeakPolarHBondContact CA-O 3.22Å; Y106-P131 PolarHBondContact N-O 2.84Å; Y106-D132 HydrophobicContact CD1-CB 4.22Å; Y106-D303 WeakPolarHBondContact CE2-O 3.46Å; Y106-L304 HydrophobicContact CD2-CD2 3.96Å; Y106-L304 HydrophobicContact CE1-CD2 4.43Å; Y106-L304 HydrophobicContact CE2-CD2 3.82Å; Y106-L304 HydrophobicContact CG-CD2 4.33Å; Y106-L304 WeakPolarHBondContact O-CD2 3.36Å | ||
| 107 | I | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 147.3 | 178.7 | -156.5 | 171.5 | 0 | 0 | 0 | 110.4 | L90 Y92 M128 F129 V300 F302 I316 | L90-I107 HydrophobicContact CD1-CG2 4.05Å; L90-I107 HydrophobicContact CD2-CG2 3.74Å; L90-I107 HydrophobicContact CG-CG2 4.27Å; Y92-I107 HydrophobicContact CD1-CG2 3.94Å; Y92-I107 HydrophobicContact CE1-CB 4.14Å; Y92-I107 HydrophobicContact CE1-CG2 3.57Å; I107-M128 CarbonylContact O-C 3.56Å; I107-M128 WeakPolarHBondContact O-CA 3.37Å; I107-F129 PolarHBondContact N-O 3.3Å; I107-F129 PolarHBondContact O-N 2.82Å; I107-V300 HydrophobicContact CD1-CG2 3.23Å; I107-V300 HydrophobicContact CG1-CG2 3.38Å; I107-F302 HydrophobicContact CB-CD1 4.27Å; I107-F302 HydrophobicContact CB-CE1 3.82Å; I107-F302 HydrophobicContact CB-CZ 4.49Å; I107-F302 HydrophobicContact CD1-CE1 3.85Å; I107-F302 HydrophobicContact CD1-CE2 4.35Å; I107-F302 HydrophobicContact CD1-CZ 3.65Å; I107-F302 HydrophobicContact CG1-CD1 4.09Å; I107-F302 HydrophobicContact CG1-CE1 3.66Å; I107-F302 HydrophobicContact CG1-CZ 3.94Å; I107-I316 HydrophobicContact CD1-CD1 4.34Å; I107-I316 HydrophobicContact CD1-CG1 4.4Å; I107-I316 HydrophobicContact CD1-CG2 3.83Å |
| 108 | K | 98.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 133.7 | 177.4 | -69.5 | 177 | 174.5 | 175.6 | 0 | 110.6 | L110 F119 Y125 I127 M128 V300 G301 D303 | K108-L110 HydrophobicContact CB-CD2 3.98Å; K108-F119 HydrophobicContact CD-CE2 4.35Å; K108-F119 HydrophobicContact CD-CZ 4.19Å; K108-Y125 HydrophobicContact CD-CD1 4.07Å; K108-Y125 HydrophobicContact CD-CG 4.26Å; K108-Y125 HydrophobicContact CG-CG 4.37Å; K108-I127 CarbonylContact C-O 3.57Å; K108-I127 WeakPolarHBondContact CA-O 3.38Å; K108-M128 HydrophobicContact CD-CE 4.42Å; K108-M128 HydrophobicContact CG-CB 4.21Å; K108-M128 HydrophobicContact CG-CE 4.43Å; K108-M128 HydrophobicContact CG-CG 4.22Å; K108-V300 CarbonylContact O-C 3.59Å; K108-V300 VanDerWaalsContact O-CA 3.29Å; K108-V300 WeakPolarHBondContact O-CA 3.26Å; K108-V300 WeakPolarHBondContact O-CG2 3.49Å; K108-G301 PolarHBondContact N-O 3.09Å; K108-G301 PolarHBondContact O-N 3.19Å; K108-D303 HydrophobicContact CD-CB 4.37Å; K108-D303 IonicContact NZ-OD2 2.64Å; K108-D303 PolarHBondContact NZ-OD2 3.07Å |
| 109 | L | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 122.2 | 164.9 | -64.5 | -176.1 | 0 | 0 | 0 | 109.2 | L88 L90 Y125 H126 I127 I297 V300 I318 | L88-L109 HydrophobicContact CD1-CD1 4.11Å; L88-L109 HydrophobicContact CD2-CD1 3.9Å; L90-L109 HydrophobicContact CD1-CD2 4.24Å; L90-L109 HydrophobicContact CD2-CD1 4.13Å; L90-L109 HydrophobicContact CD2-CD2 4.3Å; L90-L109 HydrophobicContact CD2-CG 4.05Å; L109-Y125 WeakPolarHBondContact O-CA 2.97Å; L109-Y125 WeakPolarHBondContact O-CB 3.12Å; L109-H126 PolarHBondContact O-N 3.5Å; L109-I127 HydrophobicContact CB-CB 4.3Å; L109-I127 HydrophobicContact CD1-CB 4.23Å; L109-I127 HydrophobicContact CD1-CD1 4.25Å; L109-I127 HydrophobicContact CG-CB 4.43Å; L109-I127 PolarHBondContact N-O 2.8Å; L109-I297 HydrophobicContact CB-CG2 4.06Å; L109-I297 HydrophobicContact CD1-CD1 4.23Å; L109-I297 HydrophobicContact CD2-CG2 4.36Å; L109-V300 HydrophobicContact CD2-CG2 4.27Å; L109-I318 HydrophobicContact CD2-CD1 3.61Å |
| 110 | L | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 147.4 | -169.5 | -54.9 | 174.6 | 0 | 0 | 0 | 111.1 | K108 T114 L116 F119 G298 A299 | K108-L110 HydrophobicContact CB-CD2 3.98Å; L110-T114 HydrophobicContact CB-CG2 4.44Å; L110-T114 HydrophobicContact CD1-CG2 4.31Å; L110-L116 HydrophobicContact CD1-CD2 4.34Å; L110-F119 HydrophobicContact CD1-CD2 4.14Å; L110-F119 HydrophobicContact CD1-CE2 3.96Å; L110-F119 HydrophobicContact CD1-CZ 4.32Å; L110-F119 HydrophobicContact CD2-CD2 4.41Å; L110-F119 HydrophobicContact CD2-CE2 3.74Å; L110-F119 HydrophobicContact CD2-CZ 4.37Å; L110-F119 HydrophobicContact CG-CE2 4.49Å; L110-G298 PolarHBondContact O-N 2.84Å; L110-A299 HydrophobicContact CB-CB 3.95Å; L110-A299 HydrophobicContact CD1-CB 4.07Å; L110-A299 PolarHBondContact N-O 3.29Å; L110-A299 PolarHBondContact O-N 3.01Å |
| 111 | P | 97.3 | Very high | 94.8 | Very high | 30 Ų | 30 | 32.7 Ų | 32.7 | 20% | 0.195 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 148.3 | 174.4 | -23.9 | 31.9 | 0 | 0 | 0 | 113.1 | G113 T114 P124 H126 S296 | P111-G113 PolarHBondContact O-N 2.85Å; P111-T114 WeakPolarHBondContact CD-OG1 3.24Å; P111-T114 WeakPolarHBondContact O-CB 3.22Å; P111-T114 PolarHBondContact O-N 2.94Å; P111-T114 PolarHBondContact O-OG1 3.34Å; P111-P124 WeakPolarHBondContact CD-O 3.49Å; P111-P124 HydrophobicContact CG-CB 4.49Å; P111-H126 WeakPolarHBondContact CA-NE2 3.4Å; P111-S296 CarbonylContact C-O 3.46Å; P111-S296 VanDerWaalsContact CA-O 3.27Å; P111-S296 WeakPolarHBondContact CA-O 3.47Å |
| 112 | A | 96 | Very high | 95.3 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 37% | 0.372 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 134.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S296 | A112-S296 VanDerWaalsContact CB-OG 3.25Å; A112-S296 WeakPolarHBondContact CB-OG 3.3Å; A112-S296 PolarHBondContact N-O 3.41Å |
| 113 | G | 95.5 | Very high | 95.7 | Very high | 84 Ų | 84 | 34.9 Ų | 34.9 | 87% | 0.866 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 3.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P111 N115 | P111-G113 PolarHBondContact O-N 2.85Å; G113-N115 PolarHBondContact O-N 3.27Å |
| 114 | T | 97.4 | Very high | 96.3 | Very high | 26 Ų | 26 | 38.4 Ų | 38.4 | 16% | 0.16 | 24% | 0.235 | C | C | . | . | trans | -54.9 | 132.6 | 172.8 | -61.5 | 0 | 0 | 0 | 0 | 111 | L110 P111 L116 T123 | L110-T114 HydrophobicContact CB-CG2 4.44Å; L110-T114 HydrophobicContact CD1-CG2 4.31Å; P111-T114 WeakPolarHBondContact CD-OG1 3.24Å; P111-T114 WeakPolarHBondContact O-CB 3.22Å; P111-T114 PolarHBondContact O-N 2.94Å; P111-T114 PolarHBondContact O-OG1 3.34Å; T114-L116 HydrophobicContact CG2-CD2 4.15Å; T114-L116 PolarHBondContact O-N 2.95Å; T114-T123 HydrophobicContact CG2-CG2 3.67Å | ||
| 115 | N | 97.4 | Very high | 96.7 | Very high | 95 Ų | 95 | 38.4 Ų | 38.4 | 51% | 0.508 | 23% | 0.233 | S | C | . | . | trans | -77.9 | 102 | 173.8 | -174.8 | 4.2 | 0 | 0 | 0 | 110.3 | G113 S117 E118 F119 | G113-N115 PolarHBondContact O-N 3.27Å; N115-S117 VanDerWaalsContact C-N 3.29Å; N115-S117 PolarHBondContact O-N 3.36Å; N115-S117 PolarHBondContact OD1-N 3.41Å; N115-S117 PolarHBondContact OD1-OG 3.47Å; N115-E118 WeakPolarHBondContact ND2-CG 3.48Å; N115-E118 PolarHBondContact O-N 3.1Å; N115-F119 PolarHBondContact O-N 3.32Å | ||
| 116 | L | 97.6 | Very high | 96.8 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -68.3 | -25.7 | -174.4 | -55.9 | -166.6 | 0 | 0 | 0 | 113.5 | V34 S74 K76 L110 T114 E118 F119 A299 | V34-L116 HydrophobicContact CB-CB 3.97Å; V34-L116 HydrophobicContact CG1-CB 4.06Å; V34-L116 HydrophobicContact CG2-CB 4.25Å; V34-L116 HydrophobicContact CG2-CD1 4.23Å; S74-L116 WeakPolarHBondContact OG-CB 3.5Å; S74-L116 WeakPolarHBondContact OG-CD2 3.4Å; K76-L116 HydrophobicContact CG-CD1 3.83Å; L110-L116 HydrophobicContact CD1-CD2 4.34Å; T114-L116 HydrophobicContact CG2-CD2 4.15Å; T114-L116 PolarHBondContact O-N 2.95Å; L116-E118 PolarHBondContact O-N 2.97Å; L116-F119 WeakPolarHBondContact O-CB 3.41Å; L116-F119 PolarHBondContact O-N 3.27Å; L116-A299 HydrophobicContact CD2-CB 3.82Å |
| 117 | S | 96.2 | Very high | 96.8 | Very high | 37 Ų | 37 | 37.8 Ų | 37.8 | 26% | 0.259 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -73.5 | -17.1 | 178 | 71.1 | 0 | 0 | 0 | 0 | 113.2 | S36 N37 N115 | S36-S117 PolarHBondContact OG-O 3.41Å; N37-S117 PolarHBondContact N-O 3.46Å; N115-S117 VanDerWaalsContact C-N 3.29Å; N115-S117 PolarHBondContact O-N 3.36Å; N115-S117 PolarHBondContact OD1-N 3.41Å; N115-S117 PolarHBondContact OD1-OG 3.47Å |
| 118 | E | 96.1 | Very high | 96.8 | Very high | 85 Ų | 85 | 38.6 Ų | 38.6 | 40% | 0.397 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -109.5 | 12.3 | 178 | -67.6 | -61.9 | 144.2 | 0 | 0 | 111.8 | H38 N115 L116 N120 | H38-E118 IonicContact CE1-OE2 3.03Å; H38-E118 IonicContact CG-OE2 3.64Å; H38-E118 IonicContact ND1-OE2 2.7Å; H38-E118 PolarHBondContact ND1-OE2 2.92Å; N115-E118 WeakPolarHBondContact ND2-CG 3.48Å; N115-E118 PolarHBondContact O-N 3.1Å; L116-E118 PolarHBondContact O-N 2.97Å; E118-N120 PolarHBondContact O-N 3.5Å; E118-N120 PolarHBondContact O-ND2 2.98Å |
| 119 | F | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -61.9 | 130.9 | -176.5 | 177.1 | -129.2 | 0 | 0 | 0 | 111.6 | S36 Q72 K108 L110 N115 L116 T123 F302 D303 | S36-F119 WeakPolarHBondContact CB-O 3.41Å; S36-F119 PolarHBondContact OG-N 2.94Å; S36-F119 PolarHBondContact OG-O 3.39Å; Q72-F119 HydrophobicContact CB-CD1 4.14Å; Q72-F119 PolarHBondContact OE1-O 3.03Å; K108-F119 HydrophobicContact CD-CE2 4.35Å; K108-F119 HydrophobicContact CD-CZ 4.19Å; L110-F119 HydrophobicContact CD1-CD2 4.14Å; L110-F119 HydrophobicContact CD1-CE2 3.96Å; L110-F119 HydrophobicContact CD1-CZ 4.32Å; L110-F119 HydrophobicContact CD2-CD2 4.41Å; L110-F119 HydrophobicContact CD2-CE2 3.74Å; L110-F119 HydrophobicContact CD2-CZ 4.37Å; L110-F119 HydrophobicContact CG-CE2 4.49Å; N115-F119 PolarHBondContact O-N 3.32Å; L116-F119 WeakPolarHBondContact O-CB 3.41Å; L116-F119 PolarHBondContact O-N 3.27Å; F119-T123 HydrophobicContact CD2-CG2 3.85Å; F119-T123 HydrophobicContact CE2-CG2 4.36Å; F119-F302 WeakPolarHBondContact CE1-O 3.39Å; F119-D303 HydrophobicContact CE1-CB 3.85Å; F119-D303 HydrophobicContact CE2-CB 4.3Å; F119-D303 HydrophobicContact CZ-CB 3.57Å | ||
| 120 | N | 95.4 | Very high | 96.8 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | trans | -160.8 | -177.4 | -174.7 | 61.8 | 44.5 | 0 | 0 | 0 | 111.9 | H38 E118 K122 T123 | H38-N120 HydrophobicContact CB-CB 4.15Å; H38-N120 PolarHBondContact CD2-ND2 2.88Å; H38-N120 PolarHBondContact CE1-ND2 2.76Å; H38-N120 VanDerWaalsContact CE1-ND2 3.31Å; H38-N120 PolarHBondContact ND1-ND2 2.76Å; H38-N120 PolarHBondContact NE2-ND2 2.85Å; H38-N120 VanDerWaalsContact NE2-ND2 3.15Å; E118-N120 PolarHBondContact O-N 3.5Å; E118-N120 PolarHBondContact O-ND2 2.98Å; N120-K122 PolarHBondContact O-N 2.72Å; N120-K122 VanDerWaalsContact O-N 3.15Å; N120-K122 WeakPolarHBondContact OD1-CA 3.45Å; N120-K122 WeakPolarHBondContact OD1-CB 3.38Å; N120-K122 PolarHBondContact OD1-N 3.11Å; N120-T123 PolarHBondContact N-OG1 2.73Å; N120-T123 VanDerWaalsContact O-CB 3.29Å; N120-T123 WeakPolarHBondContact O-CB 3.45Å; N120-T123 PolarHBondContact O-N 2.94Å; N120-T123 PolarHBondContact O-OG1 2.79Å; N120-T123 PolarHBondContact OD1-N 2.95Å; N120-T123 PolarHBondContact OD1-OG1 2.79Å | ||
| 121 | S | 93.2 | Very high | 96.7 | Very high | 61 Ų | 61 | 38.7 Ų | 38.7 | 43% | 0.427 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.9 | 177.6 | 62 | 0 | 0 | 0 | 0 | 116.2 | D303 | S121-D303 WeakPolarHBondContact CA-OD2 3.32Å; S121-D303 PolarHBondContact N-OD1 2.92Å; S121-D303 PolarHBondContact N-OD2 2.67Å |
| 122 | K | 94.6 | Very high | 96.5 | Very high | 170 Ų | 170 | 38.2 Ų | 38.2 | 74% | 0.739 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95 | -6.8 | 178.8 | -60.5 | 177.9 | -176.7 | 170.8 | 0 | 113.1 | N120 | N120-K122 PolarHBondContact O-N 2.72Å; N120-K122 VanDerWaalsContact O-N 3.15Å; N120-K122 WeakPolarHBondContact OD1-CA 3.45Å; N120-K122 WeakPolarHBondContact OD1-CB 3.38Å; N120-K122 PolarHBondContact OD1-N 3.11Å |
| 123 | T | 96.7 | Very high | 96.4 | Very high | 15 Ų | 15 | 36.3 Ų | 36.3 | 9% | 0.092 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -63.5 | 128.6 | -177.9 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | T114 F119 N120 Y125 | T114-T123 HydrophobicContact CG2-CG2 3.67Å; F119-T123 HydrophobicContact CD2-CG2 3.85Å; F119-T123 HydrophobicContact CE2-CG2 4.36Å; N120-T123 PolarHBondContact N-OG1 2.73Å; N120-T123 VanDerWaalsContact O-CB 3.29Å; N120-T123 WeakPolarHBondContact O-CB 3.45Å; N120-T123 PolarHBondContact O-N 2.94Å; N120-T123 PolarHBondContact O-OG1 2.79Å; N120-T123 PolarHBondContact OD1-N 2.95Å; N120-T123 PolarHBondContact OD1-OG1 2.79Å; T123-Y125 PolarHBondContact O-N 3.18Å |
| 124 | P | 96.5 | Very high | 96.2 | Very high | 77 Ų | 77 | 35 Ų | 35 | 50% | 0.5 | 19% | 0.192 | S | C | . | . | trans | -57.2 | 135.4 | 175.3 | -24.9 | 34.5 | 0 | 0 | 0 | 111.3 | P111 | P111-P124 WeakPolarHBondContact CD-O 3.49Å; P111-P124 HydrophobicContact CG-CB 4.49Å | ||
| 125 | Y | 97.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 2% | 0.024 | 20% | 0.201 | C | C | . | . | trans | -131.9 | 162.5 | 173.5 | 62.3 | -91.5 | 0 | 0 | 0 | 108.8 | K108 L109 T123 M128 R146 E151 | K108-Y125 HydrophobicContact CD-CD1 4.07Å; K108-Y125 HydrophobicContact CD-CG 4.26Å; K108-Y125 HydrophobicContact CG-CG 4.37Å; L109-Y125 WeakPolarHBondContact O-CA 2.97Å; L109-Y125 WeakPolarHBondContact O-CB 3.12Å; T123-Y125 PolarHBondContact O-N 3.18Å; Y125-M128 HydrophobicContact CD2-CB 4.11Å; Y125-M128 HydrophobicContact CE1-CE 4.25Å; Y125-M128 HydrophobicContact CE2-CB 3.62Å; Y125-R146 HydrophobicContact CD2-CB 4.18Å; Y125-R146 HydrophobicContact CE2-CB 4Å; Y125-R146 VanDerWaalsContact O-CB 3.3Å; Y125-R146 WeakPolarHBondContact O-CB 3.42Å; Y125-R146 WeakPolarHBondContact O-CD 3.45Å; Y125-E151 PolarHBondContact OH-OE1 3.2Å; Y125-E151 PolarHBondContact OH-OE2 3.27Å | ||
| 126 | H | 97.1 | Very high | 95 | Very high | 32 Ų | 32 | 38.4 Ų | 38.4 | 15% | 0.148 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -94.3 | -44.7 | 175.1 | -65.6 | -47.7 | 0 | 0 | 0 | 111.3 | L109 P111 R146 H294 S296 | L109-H126 PolarHBondContact O-N 3.5Å; P111-H126 WeakPolarHBondContact CA-NE2 3.4Å; H126-R146 PolarHBondContact O-N 2.83Å; H126-H294 PolarHBondContact CD2-O 2.86Å; H126-H294 VanDerWaalsContact CD2-O 3.32Å; H126-H294 PolarHBondContact CE1-O 2.62Å; H126-H294 VanDerWaalsContact CE1-O 3.24Å; H126-H294 PolarHBondContact ND1-O 2.95Å; H126-H294 PolarHBondContact NE2-O 3.31Å; H126-S296 PolarHBondContact NE2-O 2.74Å |
| 127 | I | 97.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 138.5 | -178.5 | -65.7 | 169 | 0 | 0 | 0 | 109.3 | L88 K108 L109 F129 I144 I145 L171 I173 | L88-I127 HydrophobicContact CD2-CD1 3.33Å; K108-I127 CarbonylContact C-O 3.57Å; K108-I127 WeakPolarHBondContact CA-O 3.38Å; L109-I127 HydrophobicContact CB-CB 4.3Å; L109-I127 HydrophobicContact CD1-CB 4.23Å; L109-I127 HydrophobicContact CD1-CD1 4.25Å; L109-I127 HydrophobicContact CG-CB 4.43Å; L109-I127 PolarHBondContact N-O 2.8Å; I127-F129 HydrophobicContact CG2-CB 4.3Å; I127-I144 CarbonylContact C-O 3.57Å; I127-I144 VanDerWaalsContact CA-O 3.31Å; I127-I144 WeakPolarHBondContact CA-O 3.42Å; I127-I145 HydrophobicContact CG1-CG1 4.44Å; I127-L171 HydrophobicContact CG2-CD2 3.78Å; I127-I173 HydrophobicContact CD1-CD1 3.84Å |
| 128 | M | 98.1 | Very high | 94 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.4 | 164.9 | 176.4 | -161.1 | -74.3 | 0 | 0 | 108.1 | Y106 I107 K108 Y125 A143 I144 | Y106-M128 HydrophobicContact CD2-CE 4.15Å; Y106-M128 HydrophobicContact CD2-CG 3.65Å; Y106-M128 HydrophobicContact CD2-SD 3.76Å; Y106-M128 HydrophobicContact CE2-CE 3.85Å; Y106-M128 HydrophobicContact CE2-CG 4.32Å; Y106-M128 HydrophobicContact CE2-SD 3.92Å; Y106-M128 HydrophobicContact CG-CG 4.01Å; Y106-M128 HydrophobicContact CG-SD 4.1Å; I107-M128 CarbonylContact O-C 3.56Å; I107-M128 WeakPolarHBondContact O-CA 3.37Å; K108-M128 HydrophobicContact CD-CE 4.42Å; K108-M128 HydrophobicContact CG-CB 4.21Å; K108-M128 HydrophobicContact CG-CE 4.43Å; K108-M128 HydrophobicContact CG-CG 4.22Å; Y125-M128 HydrophobicContact CD2-CB 4.11Å; Y125-M128 HydrophobicContact CE1-CE 4.25Å; Y125-M128 HydrophobicContact CE2-CB 3.62Å; M128-A143 WeakPolarHBondContact O-CA 3.07Å; M128-I144 HydrophobicContact CB-CB 4.21Å; M128-I144 PolarHBondContact N-O 3.08Å; M128-I144 PolarHBondContact O-N 3.28Å; M128-I144 HydrophobicContact SD-CD1 3.75Å; M128-I144 HydrophobicContact SD-CG1 4.34Å |
| 129 | F | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 131.9 | -174.9 | 174.4 | -114.1 | 0 | 0 | 0 | 112.6 | L90 Y92 Y106 I107 I127 I141 R142 A143 L171 I181 | L90-F129 HydrophobicContact CD2-CB 4.02Å; L90-F129 HydrophobicContact CD2-CD1 4.03Å; L90-F129 HydrophobicContact CD2-CG 4.47Å; L90-F129 HydrophobicContact CG-CD1 4.31Å; Y92-F129 HydrophobicContact CE1-CD1 4.11Å; Y92-F129 HydrophobicContact CE1-CE1 4.37Å; Y92-F129 PolarHBondContact OH-O 2.88Å; Y106-F129 WeakPolarHBondContact CA-O 3.22Å; I107-F129 PolarHBondContact N-O 3.3Å; I107-F129 PolarHBondContact O-N 2.82Å; I127-F129 HydrophobicContact CG2-CB 4.3Å; F129-I141 HydrophobicContact CD2-CG2 4.31Å; F129-I141 HydrophobicContact CE2-CG2 3.71Å; F129-I141 HydrophobicContact CZ-CG2 4.43Å; F129-R142 CarbonylContact C-O 3.56Å; F129-R142 VanDerWaalsContact CA-O 3.25Å; F129-R142 WeakPolarHBondContact CA-O 3.44Å; F129-R142 WeakPolarHBondContact CD2-O 3.2Å; F129-A143 HydrophobicContact CD2-CB 4.23Å; F129-L171 HydrophobicContact CB-CD2 4.11Å; F129-L171 HydrophobicContact CD1-CB 3.69Å; F129-L171 HydrophobicContact CD2-CB 3.96Å; F129-L171 HydrophobicContact CD2-CD2 4.25Å; F129-L171 HydrophobicContact CE1-CB 3.69Å; F129-L171 HydrophobicContact CE2-CB 3.97Å; F129-L171 HydrophobicContact CG-CB 3.82Å; F129-L171 HydrophobicContact CG-CD2 4.08Å; F129-L171 HydrophobicContact CZ-CB 3.84Å; F129-I181 HydrophobicContact CE2-CD1 4.47Å; F129-I181 HydrophobicContact CE2-CG1 4.18Å; F129-I181 HydrophobicContact CE2-CG2 3.86Å; F129-I181 HydrophobicContact CZ-CG2 4.13Å |
| 130 | G | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | Y92 I141 R142 | Y92-G130 WeakPolarHBondContact OH-CA 3.48Å; G130-I141 CarbonylContact O-C 3.5Å; G130-I141 WeakPolarHBondContact O-CA 3.28Å; G130-R142 PolarHBondContact N-O 3.46Å; G130-R142 PolarHBondContact O-N 2.91Å |
| 131 | P | 96.8 | Very high | 93.9 | Very high | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 143.9 | 174.4 | 28.2 | -33.4 | 0 | 0 | 0 | 112.1 | Y92 V94 A105 Y106 V140 C160 Y169 | Y92-P131 WeakPolarHBondContact OH-CD 3.2Å; V94-P131 HydrophobicContact CB-CG 4.31Å; V94-P131 HydrophobicContact CG1-CG 4.32Å; V94-P131 HydrophobicContact CG2-CG 4Å; A105-P131 CarbonylContact C-O 3.56Å; A105-P131 WeakPolarHBondContact CA-O 3.47Å; A105-P131 HydrophobicContact CB-CG 3.93Å; A105-P131 PolarHBondContact N-O 3.34Å; A105-P131 WeakPolarHBondContact O-CD 3.28Å; Y106-P131 PolarHBondContact N-O 2.84Å; P131-V140 CarbonylContact C-O 3.49Å; P131-V140 WeakPolarHBondContact CA-O 3.17Å; P131-C160 HydrophobicContact CB-CB 3.75Å; P131-Y169 HydrophobicContact CB-CE1 4.13Å; P131-Y169 HydrophobicContact CB-CE2 4.34Å; P131-Y169 HydrophobicContact CG-CD2 4.17Å; P131-Y169 HydrophobicContact CG-CE1 4.2Å; P131-Y169 HydrophobicContact CG-CE2 3.72Å |
| 132 | D | 93.7 | Very high | 94 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 11% | 0.107 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 110.7 | 175.9 | -174.6 | 26.6 | 0 | 0 | 0 | 108 | Y106 V140 R142 | Y106-D132 HydrophobicContact CD1-CB 4.22Å; D132-V140 HydrophobicContact CB-CG2 4.43Å; D132-V140 PolarHBondContact N-O 3.44Å; D132-V140 PolarHBondContact O-N 3.29Å; D132-R142 HydrophobicContact CB-CG 3.57Å; D132-R142 IonicContact OD2-CZ 3.94Å; D132-R142 IonicContact OD2-NE 3.9Å; D132-R142 PolarHBondContact OD2-NE 2.79Å; D132-R142 IonicContact OD2-NH2 2.96Å; D132-R142 PolarHBondContact OD2-NH2 2.61Å |
| 133 | I | 93.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125 | -178.2 | -64.8 | 174.6 | 0 | 0 | 0 | 107.9 | I100 C102 A103 L138 R139 D162 | I100-I133 HydrophobicContact CG2-CG2 4.49Å; C102-I133 CarbonylContact C-O 3.49Å; C102-I133 WeakPolarHBondContact CA-O 3.49Å; A103-I133 CarbonylContact C-O 3.56Å; A103-I133 PolarHBondContact N-O 3.12Å; A103-I133 PolarHBondContact O-N 3.45Å; A103-I133 VanDerWaalsContact O-N 3.09Å; A103-I133 VanDerWaalsContact O-O 3.14Å; I133-L138 CarbonylContact C-O 3.52Å; I133-L138 VanDerWaalsContact CA-O 3.27Å; I133-L138 WeakPolarHBondContact CA-O 3.12Å; I133-R139 HydrophobicContact CG1-CG 4.5Å; I133-R139 HydrophobicContact CG2-CG 4.29Å; I133-D162 HydrophobicContact CD1-CB 4.15Å |
| 134 | C | 90.6 | Very high | 94.2 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 38% | 0.378 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 99.9 | 166.3 | -155.8 | 0 | 0 | 0 | 0 | 111.2 | N101 C102 L138 | N101-C134 CarbonylContact O-C 3.43Å; C102-C134 HydrophobicContact CB-CB 3.92Å; C102-C134 WeakPolarHBondContact CB-SG 3.43Å; C102-C134 WeakPolarHBondContact SG-CB 3.41Å; C102-C134 CovalentContact SG-SG 2.06Å; C102-C134 PolarHBondContact SG-SG 3.38Å; C134-L138 HydrophobicContact CB-CB 4.32Å; C134-L138 HydrophobicContact CB-CD2 3.89Å; C134-L138 PolarHBondContact N-O 2.91Å; C134-L138 WeakPolarHBondContact O-CB 3.24Å |
| 135 | G | 87.6 | Confident | 94.1 | Very high | 35 Ų | 35 | 36.8 Ų | 36.8 | 36% | 0.361 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -158.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N101 R139 | N101-G135 PolarHBondContact O-N 3.1Å; G135-R139 PolarHBondContact O-NE 2.69Å; G135-R139 PolarHBondContact O-NH2 2.78Å |
| 136 | I | 82.6 | Confident | 94 | Very high | 157 Ų | 157 | 39.6 Ų | 39.6 | 81% | 0.805 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -30 | 178 | -60.9 | 171.3 | 0 | 0 | 0 | 110.5 | ||
| 137 | E | 83.1 | Confident | 93.7 | Very high | 196 Ų | 196 | 40.4 Ų | 40.4 | 92% | 0.916 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -29.8 | -173.6 | -60.6 | -174.3 | 168.1 | 0 | 0 | 113.4 | ||
| 138 | L | 90.3 | Very high | 93.2 | Very high | 51 Ų | 51 | 47 Ų | 47 | 27% | 0.267 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 91.8 | 179.9 | -167.9 | 73.1 | 0 | 0 | 0 | 109.7 | I133 C134 V140 | I133-L138 CarbonylContact C-O 3.52Å; I133-L138 VanDerWaalsContact CA-O 3.27Å; I133-L138 WeakPolarHBondContact CA-O 3.12Å; C134-L138 HydrophobicContact CB-CB 4.32Å; C134-L138 HydrophobicContact CB-CD2 3.89Å; C134-L138 PolarHBondContact N-O 2.91Å; C134-L138 WeakPolarHBondContact O-CB 3.24Å; L138-V140 HydrophobicContact CD1-CG2 3.8Å; L138-V140 HydrophobicContact CG-CG2 4.31Å |
| 139 | R | 93 | Very high | 92.7 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 19% | 0.192 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 76.6 | 172.1 | -65.4 | -174.8 | 176.4 | -116.3 | -20.6 | 108.3 | I100 I133 G135 T159 C160 D162 | I100-R139 PolarHBondContact O-NH2 2.94Å; I133-R139 HydrophobicContact CG1-CG 4.5Å; I133-R139 HydrophobicContact CG2-CG 4.29Å; G135-R139 PolarHBondContact O-NE 2.69Å; G135-R139 PolarHBondContact O-NH2 2.78Å; R139-T159 WeakPolarHBondContact O-CA 3.31Å; R139-C160 PolarHBondContact O-N 2.85Å; R139-D162 WeakPolarHBondContact CD-OD2 3.34Å; R139-D162 IonicContact CZ-OD2 2.91Å; R139-D162 IonicContact NE-OD2 3.7Å; R139-D162 VanDerWaalsContact NH1-CB 3.3Å; R139-D162 IonicContact NH1-OD2 3.38Å; R139-D162 PolarHBondContact NH1-OD2 2.68Å |
| 140 | V | 95.4 | Very high | 92.5 | Very high | 24 Ų | 24 | 55.7 Ų | 55.7 | 15% | 0.145 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 153.8 | -167 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | P131 D132 L138 L158 | P131-V140 CarbonylContact C-O 3.49Å; P131-V140 WeakPolarHBondContact CA-O 3.17Å; D132-V140 HydrophobicContact CB-CG2 4.43Å; D132-V140 PolarHBondContact N-O 3.44Å; D132-V140 PolarHBondContact O-N 3.29Å; L138-V140 HydrophobicContact CD1-CG2 3.8Å; L138-V140 HydrophobicContact CG-CG2 4.31Å; V140-L158 CarbonylContact C-O 3.46Å; V140-L158 WeakPolarHBondContact CA-O 3.45Å; V140-L158 WeakPolarHBondContact CB-O 3.36Å |
| 141 | I | 97 | Very high | 92.4 | Very high | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 112.9 | 163.9 | -55.1 | 178.1 | 0 | 0 | 0 | 107.1 | F129 G130 L158 C160 Y169 I181 V183 | F129-I141 HydrophobicContact CD2-CG2 4.31Å; F129-I141 HydrophobicContact CE2-CG2 3.71Å; F129-I141 HydrophobicContact CZ-CG2 4.43Å; G130-I141 CarbonylContact O-C 3.5Å; G130-I141 WeakPolarHBondContact O-CA 3.28Å; I141-L158 HydrophobicContact CB-CB 4.37Å; I141-L158 HydrophobicContact CB-CD2 4.26Å; I141-L158 HydrophobicContact CB-CG 4.39Å; I141-L158 HydrophobicContact CD1-CD2 3.81Å; I141-L158 HydrophobicContact CD1-CG 4.02Å; I141-L158 HydrophobicContact CG1-CD2 4.47Å; I141-L158 HydrophobicContact CG1-CG 4.44Å; I141-L158 PolarHBondContact N-O 3.04Å; I141-C160 HydrophobicContact CG1-CB 3.65Å; I141-Y169 HydrophobicContact CD1-CD1 3.96Å; I141-Y169 HydrophobicContact CD1-CE1 3.7Å; I141-Y169 HydrophobicContact CG1-CD1 4.26Å; I141-Y169 HydrophobicContact CG1-CE1 3.85Å; I141-I181 HydrophobicContact CD1-CG2 4.45Å; I141-I181 HydrophobicContact CG2-CG2 4.23Å; I141-V183 HydrophobicContact CD1-CG2 3.42Å; I141-V183 VanDerWaalsContact CD1-CG2 3.42Å |
| 142 | R | 96.5 | Very high | 92.4 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 32% | 0.321 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 131.1 | 169.4 | -61.6 | -64.1 | -171.6 | 172.8 | 5.1 | 109 | F129 G130 D132 | F129-R142 CarbonylContact C-O 3.56Å; F129-R142 VanDerWaalsContact CA-O 3.25Å; F129-R142 WeakPolarHBondContact CA-O 3.44Å; F129-R142 WeakPolarHBondContact CD2-O 3.2Å; G130-R142 PolarHBondContact N-O 3.46Å; G130-R142 PolarHBondContact O-N 2.91Å; D132-R142 HydrophobicContact CB-CG 3.57Å; D132-R142 IonicContact OD2-CZ 3.94Å; D132-R142 IonicContact OD2-NE 3.9Å; D132-R142 PolarHBondContact OD2-NE 2.79Å; D132-R142 IonicContact OD2-NH2 2.96Å; D132-R142 PolarHBondContact OD2-NH2 2.61Å |
| 143 | A | 97.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 3% | 0.033 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 114.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | M128 F129 L154 I181 F197 | M128-A143 WeakPolarHBondContact O-CA 3.07Å; F129-A143 HydrophobicContact CD2-CB 4.23Å; A143-L154 PolarHBondContact O-N 2.86Å; A143-I181 HydrophobicContact CB-CD1 3.85Å; A143-F197 HydrophobicContact CB-CE1 3.84Å; A143-F197 HydrophobicContact CB-CZ 3.82Å; A143-F197 VanDerWaalsContact O-CE1 3.31Å; A143-F197 WeakPolarHBondContact O-CE1 3.27Å |
| 144 | I | 97 | Very high | 92.6 | Very high | 15 Ų | 15 | 65.2 Ų | 65.2 | 8% | 0.077 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 128 | -177.5 | -46.3 | -172.7 | 0 | 0 | 0 | 108.1 | I127 M128 E151 F152 T153 | I127-I144 CarbonylContact C-O 3.57Å; I127-I144 VanDerWaalsContact CA-O 3.31Å; I127-I144 WeakPolarHBondContact CA-O 3.42Å; M128-I144 HydrophobicContact CB-CB 4.21Å; M128-I144 PolarHBondContact N-O 3.08Å; M128-I144 PolarHBondContact O-N 3.28Å; M128-I144 HydrophobicContact SD-CD1 3.75Å; M128-I144 HydrophobicContact SD-CG1 4.34Å; I144-E151 HydrophobicContact CG2-CB 3.76Å; I144-E151 HydrophobicContact CG2-CG 3.98Å; I144-F152 WeakPolarHBondContact CA-O 3.38Å; I144-T153 HydrophobicContact CD1-CG2 4.15Å; I144-T153 HydrophobicContact CG1-CG2 4.05Å; I144-T153 HydrophobicContact CG2-CG2 4.23Å |
| 145 | I | 96.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 127.7 | 173.2 | -62.3 | 159.3 | 0 | 0 | 0 | 106.8 | I127 F152 I193 F197 L199 | I127-I145 HydrophobicContact CG1-CG1 4.44Å; I145-F152 PolarHBondContact N-O 2.85Å; I145-F152 WeakPolarHBondContact O-CB 3.32Å; I145-F152 PolarHBondContact O-N 2.69Å; I145-I193 HydrophobicContact CD1-CD1 3.25Å; I145-I193 HydrophobicContact CD1-CG1 3.34Å; I145-I193 HydrophobicContact CG1-CD1 4.46Å; I145-F197 HydrophobicContact CD1-CB 4.38Å; I145-F197 HydrophobicContact CD1-CD1 3.58Å; I145-F197 HydrophobicContact CD1-CD2 4.12Å; I145-F197 HydrophobicContact CD1-CE1 3.73Å; I145-F197 HydrophobicContact CD1-CE2 4.28Å; I145-F197 HydrophobicContact CD1-CG 3.78Å; I145-F197 HydrophobicContact CD1-CZ 4.09Å; I145-F197 HydrophobicContact CG1-CD1 4.07Å; I145-F197 HydrophobicContact CG1-CE1 4.06Å; I145-L199 HydrophobicContact CB-CD1 4.43Å; I145-L199 HydrophobicContact CD1-CD1 3.72Å; I145-L199 HydrophobicContact CG2-CD1 4.23Å; I145-L199 HydrophobicContact CG2-CD2 4.18Å |
| 146 | R | 94.8 | Very high | 93 | Very high | 64 Ų | 64 | 72 Ų | 72 | 24% | 0.242 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 126.6 | 178.5 | -176.3 | 169.1 | -179.6 | 134.7 | -3.8 | 109.3 | Y125 H126 K150 E151 | Y125-R146 HydrophobicContact CD2-CB 4.18Å; Y125-R146 HydrophobicContact CE2-CB 4Å; Y125-R146 VanDerWaalsContact O-CB 3.3Å; Y125-R146 WeakPolarHBondContact O-CB 3.42Å; Y125-R146 WeakPolarHBondContact O-CD 3.45Å; H126-R146 PolarHBondContact O-N 2.83Å; R146-K150 CarbonylContact C-O 3.55Å; R146-K150 VanDerWaalsContact CA-O 3.26Å; R146-K150 WeakPolarHBondContact CA-O 3.4Å; R146-E151 HydrophobicContact CB-CG 4.33Å; R146-E151 HydrophobicContact CG-CG 4.21Å; R146-E151 IonicContact CZ-OE1 2.69Å; R146-E151 IonicContact NH1-OE1 2.85Å; R146-E151 PolarHBondContact NH1-OE1 2.93Å |
| 147 | R | 89.6 | Confident | 93.4 | Very high | 50 Ų | 50 | 69.5 Ų | 69.5 | 19% | 0.189 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 135 | 178.1 | -161.3 | -172.5 | 74 | -153.4 | -16.8 | 109.8 | G149 K150 F152 L199 I201 | R147-G149 PolarHBondContact O-N 2.89Å; R147-G149 VanDerWaalsContact O-N 3.15Å; R147-K150 PolarHBondContact N-O 3.43Å; R147-K150 PolarHBondContact O-N 3.44Å; R147-F152 HydrophobicContact CB-CE2 4.18Å; R147-L199 PolarHBondContact NH1-O 3.23Å; R147-I201 VanDerWaalsContact NH1-CG2 3.3Å |
| 148 | D | 86.8 | Confident | 93.8 | Very high | 139 Ų | 139 | 60.9 Ų | 60.9 | 74% | 0.743 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 37.7 | 177.7 | -48.7 | -45.9 | 0 | 0 | 0 | 112.9 | K150 | D148-K150 PolarHBondContact O-N 3.39Š|
| 149 | G | 89.3 | Confident | 94 | Very high | 55 Ų | 55 | 62.8 Ų | 62.8 | 57% | 0.567 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 0 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | R147 | R147-G149 PolarHBondContact O-N 2.89Å; R147-G149 VanDerWaalsContact O-N 3.15Å |
| 150 | K | 93.6 | Very high | 94 | Very high | 145 Ų | 145 | 60.8 Ų | 60.8 | 63% | 0.63 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 144.8 | 177 | -63.8 | -177.7 | -179.3 | -178.7 | 0 | 111.2 | R146 R147 D148 F152 | R146-K150 CarbonylContact C-O 3.55Å; R146-K150 VanDerWaalsContact CA-O 3.26Å; R146-K150 WeakPolarHBondContact CA-O 3.4Å; R147-K150 PolarHBondContact N-O 3.43Å; R147-K150 PolarHBondContact O-N 3.44Å; D148-K150 PolarHBondContact O-N 3.39Å; K150-F152 HydrophobicContact CB-CE2 3.78Å; K150-F152 HydrophobicContact CB-CZ 4.18Å |
| 151 | E | 95.8 | Very high | 93.9 | Very high | 97 Ų | 97 | 62.1 Ų | 62.1 | 45% | 0.453 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 133.4 | 176 | -74.3 | 172.6 | -162.2 | 0 | 0 | 110.5 | Y125 I144 R146 | Y125-E151 PolarHBondContact OH-OE1 3.2Å; Y125-E151 PolarHBondContact OH-OE2 3.27Å; I144-E151 HydrophobicContact CG2-CB 3.76Å; I144-E151 HydrophobicContact CG2-CG 3.98Å; R146-E151 HydrophobicContact CB-CG 4.33Å; R146-E151 HydrophobicContact CG-CG 4.21Å; R146-E151 IonicContact CZ-OE1 2.69Å; R146-E151 IonicContact NH1-OE1 2.85Å; R146-E151 PolarHBondContact NH1-OE1 2.93Å |
| 152 | F | 96.6 | Very high | 93.5 | Very high | 35 Ų | 35 | 65 Ų | 65 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 115.1 | 179.5 | -65 | -93 | 0 | 0 | 0 | 107.6 | I144 I145 R147 K150 F197 D198 L199 | I144-F152 WeakPolarHBondContact CA-O 3.38Å; I145-F152 PolarHBondContact N-O 2.85Å; I145-F152 WeakPolarHBondContact O-CB 3.32Å; I145-F152 PolarHBondContact O-N 2.69Å; R147-F152 HydrophobicContact CB-CE2 4.18Å; K150-F152 HydrophobicContact CB-CE2 3.78Å; K150-F152 HydrophobicContact CB-CZ 4.18Å; F152-F197 HydrophobicContact CB-CB 4.33Å; F152-F197 WeakPolarHBondContact CB-O 3.38Å; F152-F197 WeakPolarHBondContact O-CD1 3.38Å; F152-D198 WeakPolarHBondContact CD1-O 3.49Å; F152-D198 WeakPolarHBondContact CE1-O 3.25Å; F152-L199 HydrophobicContact CB-CD2 3.63Å; F152-L199 HydrophobicContact CB-CG 4.17Å; F152-L199 HydrophobicContact CD1-CD2 3.8Å; F152-L199 HydrophobicContact CD1-CG 4.34Å; F152-L199 HydrophobicContact CD2-CD2 3.43Å; F152-L199 VanDerWaalsContact CD2-CD2 3.43Å; F152-L199 HydrophobicContact CE1-CD2 4.29Å; F152-L199 HydrophobicContact CE2-CD2 3.97Å; F152-L199 HydrophobicContact CG-CD2 3.33Å; F152-L199 HydrophobicContact CG-CG 4.16Å; F152-L199 HydrophobicContact CZ-CD2 4.37Å |
| 153 | T | 96.2 | Very high | 93.3 | Very high | 78 Ų | 78 | 63.1 Ų | 63.1 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 152.3 | -177.7 | 60.5 | 0 | 0 | 0 | 0 | 110.4 | I144 K155 | I144-T153 HydrophobicContact CD1-CG2 4.15Å; I144-T153 HydrophobicContact CG1-CG2 4.05Å; I144-T153 HydrophobicContact CG2-CG2 4.23Å; T153-K155 PolarHBondContact O-N 3.28Å |
| 154 | L | 94.4 | Very high | 93.1 | Very high | 20 Ų | 20 | 65 Ų | 65 | 11% | 0.105 | 34% | 0.338 | C | S | . | . | trans | -54.5 | 127.3 | 170.5 | -169.6 | 68.7 | 0 | 0 | 0 | 111.7 | A143 K156 L158 Y179 I181 M189 D196 F197 | A143-L154 PolarHBondContact O-N 2.86Å; L154-K156 WeakPolarHBondContact CD2-O 3.38Å; L154-K156 WeakPolarHBondContact CG-O 3.11Å; L154-K156 PolarHBondContact O-N 3.36Å; L154-L158 HydrophobicContact CD2-CB 4.46Å; L154-Y179 HydrophobicContact CD1-CE2 4.23Å; L154-Y179 WeakPolarHBondContact CD1-OH 3.46Å; L154-I181 HydrophobicContact CD2-CD1 4.09Å; L154-M189 HydrophobicContact CD1-SD 3.74Å; L154-M189 HydrophobicContact CD2-CE 3.98Å; L154-M189 HydrophobicContact CD2-SD 3.58Å; L154-M189 VanDerWaalsContact CD2-SD 3.58Å; L154-M189 HydrophobicContact CG-SD 3.96Å; L154-D196 HydrophobicContact CD1-CB 4.06Å; L154-F197 HydrophobicContact CB-CE1 4.25Å; L154-F197 HydrophobicContact CB-CZ 4.34Å; L154-F197 HydrophobicContact CD1-CD2 4.18Å; L154-F197 HydrophobicContact CD1-CE2 3.68Å; L154-F197 HydrophobicContact CD1-CZ 3.88Å | ||
| 155 | K | 94.5 | Very high | 92.9 | Very high | 117 Ų | 117 | 66.5 Ų | 66.5 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -63.9 | -40.6 | -178.5 | -76.2 | 175.5 | -177.4 | 172.8 | 0 | 112.8 | T153 D195 D196 D198 | T153-K155 PolarHBondContact O-N 3.28Å; K155-D195 WeakPolarHBondContact CD-O 3.28Å; K155-D195 WeakPolarHBondContact CE-O 3.4Å; K155-D195 PolarHBondContact NZ-O 2.89Å; K155-D196 WeakPolarHBondContact CB-O 3.25Å; K155-D196 WeakPolarHBondContact CG-O 3.3Å; K155-D196 PolarHBondContact N-O 3.3Å; K155-D198 VanDerWaalsContact CE-CB 3.47Å; K155-D198 WeakPolarHBondContact CE-OD1 3.27Å; K155-D198 IonicContact NZ-OD1 2.58Å; K155-D198 PolarHBondContact NZ-OD1 2.91Å |
| 156 | K | 92.4 | Very high | 92.7 | Very high | 116 Ų | 116 | 67.2 Ų | 67.2 | 50% | 0.504 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -96.3 | 118.2 | 179.7 | -175 | 179.3 | 175.7 | -172.7 | 0 | 108.7 | L154 M189 Y246 | L154-K156 WeakPolarHBondContact CD2-O 3.38Å; L154-K156 WeakPolarHBondContact CG-O 3.11Å; L154-K156 PolarHBondContact O-N 3.36Å; K156-M189 HydrophobicContact CB-CE 3.99Å; K156-M189 HydrophobicContact CD-CE 3.93Å; K156-M189 HydrophobicContact CG-CE 4Å; K156-Y246 PolarHBondContact NZ-OH 3.45Å; K156-Y246 VanDerWaalsContact NZ-OH 3.14Å |
| 157 | P | 91.6 | Very high | 92.6 | Very high | 105 Ų | 105 | 64.2 Ų | 64.2 | 68% | 0.682 | 34% | 0.337 | S | S | * | . | trans | -62.6 | 145.2 | 175.8 | 27.2 | -33.7 | 0 | 0 | 0 | 110.1 | ||||
| 158 | L | 92.1 | Very high | 92.8 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | trans | -123.4 | 128.9 | 178.4 | -175 | 61.1 | 0 | 0 | 0 | 108.6 | V140 I141 L154 I181 R188 M189 | V140-L158 CarbonylContact C-O 3.46Å; V140-L158 WeakPolarHBondContact CA-O 3.45Å; V140-L158 WeakPolarHBondContact CB-O 3.36Å; I141-L158 HydrophobicContact CB-CB 4.37Å; I141-L158 HydrophobicContact CB-CD2 4.26Å; I141-L158 HydrophobicContact CB-CG 4.39Å; I141-L158 HydrophobicContact CD1-CD2 3.81Å; I141-L158 HydrophobicContact CD1-CG 4.02Å; I141-L158 HydrophobicContact CG1-CD2 4.47Å; I141-L158 HydrophobicContact CG1-CG 4.44Å; I141-L158 PolarHBondContact N-O 3.04Å; L154-L158 HydrophobicContact CD2-CB 4.46Å; L158-I181 HydrophobicContact CD2-CB 4.17Å; L158-I181 HydrophobicContact CD2-CD1 4.36Å; L158-I181 HydrophobicContact CD2-CG2 3.66Å; L158-R188 HydrophobicContact CD1-CB 4.13Å; L158-R188 HydrophobicContact CD2-CB 3.94Å; L158-M189 HydrophobicContact CB-CE 4.14Å; L158-M189 HydrophobicContact CD1-CE 4.13Å; L158-M189 HydrophobicContact CD2-CB 4.16Å | ||
| 159 | T | 93.5 | Very high | 93.3 | Very high | 90 Ų | 90 | 55.7 Ų | 55.7 | 55% | 0.552 | 29% | 0.294 | S | S | * | . | B | Isolated β-bridge | trans | -74.1 | 139.4 | 178.7 | 52.2 | 0 | 0 | 0 | 0 | 111.1 | R139 R188 | R139-T159 WeakPolarHBondContact O-CA 3.31Å; T159-R188 PolarHBondContact O-NH2 2.75Å; T159-R188 PolarHBondContact OG1-NH2 2.98Å |
| 160 | C | 93.6 | Very high | 93.6 | Very high | 9 Ų | 9 | 53 Ų | 53 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 166.1 | 170.3 | 65.4 | 0 | 0 | 0 | 0 | 111.1 | P131 R139 I141 Y169 | P131-C160 HydrophobicContact CB-CB 3.75Å; R139-C160 PolarHBondContact O-N 2.85Å; I141-C160 HydrophobicContact CG1-CB 3.65Å; C160-Y169 HydrophobicContact CB-CE1 4.31Å |
| 161 | E | 92.1 | Very high | 93.9 | Very high | 52 Ų | 52 | 46.3 Ų | 46.3 | 24% | 0.243 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -76.8 | 141 | 168.4 | -52.1 | -58.5 | 133.4 | 0 | 0 | 108.9 | H167 Y169 V183 R188 | E161-H167 VanDerWaalsContact CB-CD2 3.48Å; E161-H167 WeakPolarHBondContact CB-CD2 3.35Å; E161-H167 VanDerWaalsContact CB-NE2 3.34Å; E161-H167 WeakPolarHBondContact CB-NE2 3.37Å; E161-Y169 PolarHBondContact N-OH 3.36Å; E161-V183 HydrophobicContact CG-CG1 3.65Å; E161-R188 IonicContact OE1-CZ 3.82Å; E161-R188 IonicContact OE1-NH1 2.76Å; E161-R188 PolarHBondContact OE1-NH1 2.92Å; E161-R188 IonicContact OE1-NH2 3.03Å |
| 162 | D | 90.2 | Very high | 93.9 | Very high | 67 Ų | 67 | 41.7 Ų | 41.7 | 36% | 0.358 | 22% | 0.217 | S | C | . | . | trans | -131.7 | 11.5 | -173 | 71.5 | -15.9 | 0 | 0 | 0 | 113.9 | I133 R139 | I133-D162 HydrophobicContact CD1-CB 4.15Å; R139-D162 WeakPolarHBondContact CD-OD2 3.34Å; R139-D162 IonicContact CZ-OD2 2.91Å; R139-D162 IonicContact NE-OD2 3.7Å; R139-D162 VanDerWaalsContact NH1-CB 3.3Å; R139-D162 IonicContact NH1-OD2 3.38Å; R139-D162 PolarHBondContact NH1-OD2 2.68Å | ||
| 163 | D | 91.4 | Very high | 93.8 | Very high | 46 Ų | 46 | 40.5 Ų | 40.5 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -77.3 | -177 | 171.2 | 76.4 | 36.7 | 0 | 0 | 0 | 111.9 | Y165 H167 | D163-Y165 HydrophobicContact CB-CD2 4.29Å; D163-Y165 VanDerWaalsContact CG-CD2 3.49Å; D163-Y165 WeakPolarHBondContact OD1-CB 3.45Å; D163-Y165 VanDerWaalsContact OD1-CD2 3.28Å; D163-Y165 WeakPolarHBondContact OD1-CD2 2.98Å; D163-Y165 PolarHBondContact OD1-N 2.99Å; D163-Y165 WeakPolarHBondContact OD2-CD2 3.37Å; D163-H167 VanDerWaalsContact CG-NE2 3.31Å; D163-H167 IonicContact OD1-CD2 3.16Å; D163-H167 IonicContact OD1-NE2 3.65Å; D163-H167 PolarHBondContact OD1-NE2 3.08Å; D163-H167 IonicContact OD2-CE1 3.11Å; D163-H167 IonicContact OD2-NE2 3.74Å; D163-H167 PolarHBondContact OD2-NE2 2.81Å |
| 164 | E | 93.1 | Very high | 93.7 | Very high | 43 Ų | 43 | 37 Ų | 37 | 20% | 0.201 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -90.1 | -1.8 | -174 | -58.3 | -178.4 | 156.9 | 0 | 0 | 113.9 | F52 N96 R98 N99 K344 | F52-E164 HydrophobicContact CE1-CB 4.49Å; F52-E164 HydrophobicContact CZ-CB 4.07Å; F52-E164 WeakPolarHBondContact CZ-O 3.45Å; N96-E164 CarbonylContact O-C 3.42Å; N96-E164 WeakPolarHBondContact O-CA 3.08Å; N96-E164 WeakPolarHBondContact O-CB 3.47Å; R98-E164 WeakPolarHBondContact CA-OE1 3.18Å; N99-E164 PolarHBondContact N-OE1 3.25Å; E164-K344 WeakPolarHBondContact OE2-CE 3.27Å; E164-K344 IonicContact OE2-NZ 3.62Å; E164-K344 PolarHBondContact OE2-NZ 3.3Å |
| 165 | Y | 92.5 | Very high | 93.5 | Very high | 46 Ų | 46 | 38.2 Ų | 38.2 | 18% | 0.18 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -88.8 | 167 | -172.9 | -56.3 | -65.7 | 0 | 0 | 0 | 112.2 | F52 D163 H167 E340 K341 K344 | F52-Y165 HydrophobicContact CE2-CD1 4.01Å; F52-Y165 HydrophobicContact CE2-CE1 4.26Å; F52-Y165 HydrophobicContact CZ-CD1 4.47Å; D163-Y165 HydrophobicContact CB-CD2 4.29Å; D163-Y165 VanDerWaalsContact CG-CD2 3.49Å; D163-Y165 WeakPolarHBondContact OD1-CB 3.45Å; D163-Y165 VanDerWaalsContact OD1-CD2 3.28Å; D163-Y165 WeakPolarHBondContact OD1-CD2 2.98Å; D163-Y165 PolarHBondContact OD1-N 2.99Å; D163-Y165 WeakPolarHBondContact OD2-CD2 3.37Å; Y165-H167 PolarHBondContact O-CD2 2.96Å; Y165-E340 HydrophobicContact CD1-CG 4.45Å; Y165-K341 HydrophobicContact CE1-CB 4.09Å; Y165-K341 HydrophobicContact CE1-CG 4.09Å; Y165-K344 HydrophobicContact CE1-CB 4.03Å; Y165-K344 HydrophobicContact CE1-CG 4.16Å |
| 166 | T | 92.9 | Very high | 93.3 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 13% | 0.129 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 131.5 | 172.4 | -59.3 | 0 | 0 | 0 | 0 | 109.8 | F168 F333 E340 | T166-F168 HydrophobicContact CG2-CE2 4.22Å; T166-F333 HydrophobicContact CG2-CE2 4.25Å; T166-F333 WeakPolarHBondContact O-CE2 3.41Å; T166-F333 VanDerWaalsContact O-CZ 3.27Å; T166-F333 WeakPolarHBondContact O-CZ 3.43Å; T166-E340 PolarHBondContact N-OE2 3.25Å; T166-E340 PolarHBondContact OG1-OE1 3.44Å |
| 167 | H | 93 | Very high | 93.2 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137.5 | 175.1 | -71.4 | -78 | 0 | 0 | 0 | 111.9 | S93 V94 E161 D163 Y165 Y169 D184 R337 | S93-H167 CarbonylContact C-O 3.46Å; S93-H167 VanDerWaalsContact CA-O 3.25Å; S93-H167 WeakPolarHBondContact CA-O 3.37Å; V94-H167 PolarHBondContact N-O 3.35Å; V94-H167 PolarHBondContact O-N 2.91Å; E161-H167 VanDerWaalsContact CB-CD2 3.48Å; E161-H167 WeakPolarHBondContact CB-CD2 3.35Å; E161-H167 VanDerWaalsContact CB-NE2 3.34Å; E161-H167 WeakPolarHBondContact CB-NE2 3.37Å; D163-H167 VanDerWaalsContact CG-NE2 3.31Å; D163-H167 IonicContact OD1-CD2 3.16Å; D163-H167 IonicContact OD1-NE2 3.65Å; D163-H167 PolarHBondContact OD1-NE2 3.08Å; D163-H167 IonicContact OD2-CE1 3.11Å; D163-H167 IonicContact OD2-NE2 3.74Å; D163-H167 PolarHBondContact OD2-NE2 2.81Å; Y165-H167 PolarHBondContact O-CD2 2.96Å; H167-Y169 HydrophobicContact CB-CD2 4.47Å; H167-Y169 HydrophobicContact CB-CE2 3.77Å; H167-D184 VanDerWaalsContact CA-OD1 3.3Å; H167-D184 WeakPolarHBondContact CA-OD1 3.42Å; H167-D184 IonicContact CE1-OD2 2.72Å; H167-D184 PolarHBondContact CE1-OD2 3.33Å; H167-D184 IonicContact CG-OD1 2.64Å; H167-D184 IonicContact CG-OD2 3.5Å; H167-D184 IonicContact ND1-OD1 3.55Å; H167-D184 PolarHBondContact ND1-OD1 2.9Å; H167-D184 IonicContact ND1-OD2 3.87Å; H167-D184 PolarHBondContact ND1-OD2 3.39Å; H167-R337 PolarHBondContact CE1-NH2 2.85Å |
| 168 | F | 94.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 2% | 0.022 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.2 | 177.2 | -84.6 | -102 | 0 | 0 | 0 | 110.3 | Q91 T166 V183 D184 N315 F328 F333 | Q91-F168 HydrophobicContact CG-CD1 3.86Å; T166-F168 HydrophobicContact CG2-CE2 4.22Å; F168-V183 CarbonylContact O-C 3.59Å; F168-V183 WeakPolarHBondContact O-CA 3.47Å; F168-D184 PolarHBondContact N-OD1 3.39Å; F168-D184 PolarHBondContact O-N 2.85Å; F168-N315 HydrophobicContact CE1-CB 3.54Å; F168-N315 HydrophobicContact CZ-CB 3.73Å; F168-F328 HydrophobicContact CE1-CD1 4.27Å; F168-F328 AromaticContact CE1-CE1 3.55Å; F168-F328 HydrophobicContact CE1-CE1 3.55Å; F168-F328 AromaticContact CZ-CE1 3.9Å; F168-F328 HydrophobicContact CZ-CE1 3.9Å; F168-F333 HydrophobicContact CD2-CB 3.95Å; F168-F333 HydrophobicContact CD2-CD1 4.09Å; F168-F333 AromaticContact CD2-CD2 3.13Å; F168-F333 HydrophobicContact CD2-CD2 3.13Å; F168-F333 HydrophobicContact CD2-CE1 4.36Å; F168-F333 AromaticContact CD2-CE2 3.43Å; F168-F333 HydrophobicContact CD2-CE2 3.43Å; F168-F333 VanDerWaalsContact CD2-CE2 3.43Å; F168-F333 AromaticContact CD2-CG 3.44Å; F168-F333 HydrophobicContact CD2-CG 3.44Å; F168-F333 VanDerWaalsContact CD2-CG 3.44Å; F168-F333 HydrophobicContact CD2-CZ 4.03Å; F168-F333 HydrophobicContact CE2-CB 3.8Å; F168-F333 AromaticContact CE2-CD2 3.12Å; F168-F333 HydrophobicContact CE2-CD2 3.12Å; F168-F333 AromaticContact CE2-CE2 3.76Å; F168-F333 HydrophobicContact CE2-CE2 3.76Å; F168-F333 AromaticContact CE2-CG 3.63Å; F168-F333 HydrophobicContact CE2-CG 3.63Å; F168-F333 HydrophobicContact CG-CD2 4.35Å; F168-F333 HydrophobicContact CG-CG 4.33Å; F168-F333 HydrophobicContact CZ-CB 4.37Å; F168-F333 HydrophobicContact CZ-CD2 4.33Å |
| 169 | Y | 96 | Very high | 93.4 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.5 | 175.4 | -68.2 | -91.8 | 0 | 0 | 0 | 109 | Q91 Y92 V94 P131 I141 C160 E161 H167 V183 | Q91-Y169 WeakPolarHBondContact CA-O 3.43Å; Y92-Y169 PolarHBondContact N-O 2.99Å; Y92-Y169 PolarHBondContact O-N 3.22Å; V94-Y169 HydrophobicContact CB-CD2 4.34Å; V94-Y169 HydrophobicContact CB-CE2 4.13Å; V94-Y169 HydrophobicContact CG2-CD2 4.19Å; V94-Y169 HydrophobicContact CG2-CE2 4.38Å; P131-Y169 HydrophobicContact CB-CE1 4.13Å; P131-Y169 HydrophobicContact CB-CE2 4.34Å; P131-Y169 HydrophobicContact CG-CD2 4.17Å; P131-Y169 HydrophobicContact CG-CE1 4.2Å; P131-Y169 HydrophobicContact CG-CE2 3.72Å; I141-Y169 HydrophobicContact CD1-CD1 3.96Å; I141-Y169 HydrophobicContact CD1-CE1 3.7Å; I141-Y169 HydrophobicContact CG1-CD1 4.26Å; I141-Y169 HydrophobicContact CG1-CE1 3.85Å; C160-Y169 HydrophobicContact CB-CE1 4.31Å; E161-Y169 PolarHBondContact N-OH 3.36Å; H167-Y169 HydrophobicContact CB-CD2 4.47Å; H167-Y169 HydrophobicContact CB-CE2 3.77Å; Y169-V183 HydrophobicContact CD1-CG2 3.85Å; Y169-V183 HydrophobicContact CE1-CG1 4.49Å; Y169-V183 HydrophobicContact CE1-CG2 3.84Å |
| 170 | T | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.8 | -178.7 | -32.8 | 0 | 0 | 0 | 0 | 110.3 | V89 L90 Q91 I172 I181 R182 V325 | V89-T170 HydrophobicContact CG1-CG2 3.96Å; L90-T170 CarbonylContact O-C 3.55Å; L90-T170 WeakPolarHBondContact O-CA 3.35Å; Q91-T170 HydrophobicContact CB-CG2 4.16Å; Q91-T170 PolarHBondContact OE1-OG1 2.92Å; T170-I172 HydrophobicContact CG2-CD1 4.37Å; T170-I172 HydrophobicContact CG2-CG1 4.03Å; T170-I181 CarbonylContact O-C 3.35Å; T170-I181 WeakPolarHBondContact O-CA 3.32Å; T170-R182 PolarHBondContact N-O 3.37Å; T170-R182 PolarHBondContact O-N 3.45Å; T170-V325 HydrophobicContact CG2-CG1 3.94Å |
| 171 | L | 97.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.9 | 166.2 | 175.2 | 64.5 | 0 | 0 | 0 | 108.9 | V89 L90 I127 F129 I173 I181 | V89-L171 WeakPolarHBondContact CA-O 3.38Å; L90-L171 PolarHBondContact N-O 2.63Å; L90-L171 PolarHBondContact O-N 2.76Å; I127-L171 HydrophobicContact CG2-CD2 3.78Å; F129-L171 HydrophobicContact CB-CD2 4.11Å; F129-L171 HydrophobicContact CD1-CB 3.69Å; F129-L171 HydrophobicContact CD2-CB 3.96Å; F129-L171 HydrophobicContact CD2-CD2 4.25Å; F129-L171 HydrophobicContact CE1-CB 3.69Å; F129-L171 HydrophobicContact CE2-CB 3.97Å; F129-L171 HydrophobicContact CG-CB 3.82Å; F129-L171 HydrophobicContact CG-CD2 4.08Å; F129-L171 HydrophobicContact CZ-CB 3.84Å; L171-I173 HydrophobicContact CD1-CG1 4.26Å; L171-I173 HydrophobicContact CD2-CD1 4.21Å; L171-I173 HydrophobicContact CG-CD1 4.41Å; L171-I173 HydrophobicContact CG-CG1 4.31Å; L171-I181 HydrophobicContact CD1-CG1 3.9Å |
| 172 | I | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.9 | 173.6 | -58 | 169.4 | 0 | 0 | 0 | 107.8 | L88 V89 T170 H174 Y179 E180 T322 F326 | L88-I172 CarbonylContact O-C 3.13Å; L88-I172 VanDerWaalsContact O-CA 3.32Å; L88-I172 WeakPolarHBondContact O-CA 3.38Å; V89-I172 HydrophobicContact CG1-CG1 3.97Å; V89-I172 HydrophobicContact CG2-CG1 4.29Å; V89-I172 HydrophobicContact CG2-CG2 4.37Å; T170-I172 HydrophobicContact CG2-CD1 4.37Å; T170-I172 HydrophobicContact CG2-CG1 4.03Å; I172-H174 VanDerWaalsContact CG2-CE1 3.45Å; I172-H174 WeakPolarHBondContact CG2-CE1 3.37Å; I172-H174 WeakPolarHBondContact CG2-NE2 3.41Å; I172-Y179 CarbonylContact O-C 3.53Å; I172-Y179 WeakPolarHBondContact O-CA 3.48Å; I172-Y179 VanDerWaalsContact O-CB 3.26Å; I172-Y179 WeakPolarHBondContact O-CB 3.13Å; I172-E180 HydrophobicContact CB-CB 4.26Å; I172-E180 PolarHBondContact N-O 2.82Å; I172-E180 PolarHBondContact O-N 3.31Å; I172-T322 HydrophobicContact CD1-CG2 3.99Å; I172-T322 HydrophobicContact CG1-CG2 4.36Å; I172-T322 HydrophobicContact CG2-CG2 3.65Å; I172-F326 HydrophobicContact CD1-CE1 3.83Å; I172-F326 HydrophobicContact CD1-CZ 3.7Å |
| 173 | I | 95.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 13.5 Ų | 13.5 | 5% | 0.051 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 120.9 | 170.2 | -62.1 | 167.8 | 0 | 0 | 0 | 108 | S87 L88 I127 L171 I193 | S87-I173 CarbonylContact C-O 3.52Å; S87-I173 VanDerWaalsContact CA-O 3.22Å; S87-I173 WeakPolarHBondContact CA-O 3.41Å; L88-I173 HydrophobicContact CB-CB 4.37Å; L88-I173 HydrophobicContact CD2-CD1 4.28Å; L88-I173 PolarHBondContact N-O 2.81Å; L88-I173 PolarHBondContact O-N 2.92Å; I127-I173 HydrophobicContact CD1-CD1 3.84Å; L171-I173 HydrophobicContact CD1-CG1 4.26Å; L171-I173 HydrophobicContact CD2-CD1 4.21Å; L171-I173 HydrophobicContact CG-CD1 4.41Å; L171-I173 HydrophobicContact CG-CG1 4.31Å; I173-I193 HydrophobicContact CB-CD1 4.49Å; I173-I193 HydrophobicContact CD1-CD1 3.54Å; I173-I193 HydrophobicContact CG1-CD1 3.82Å; I173-I193 HydrophobicContact CG2-CD1 3.83Å |
| 174 | H | 93.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 12.1 Ų | 12.1 | 2% | 0.023 | 6% | 0.062 | C | C | . | . | trans | -92.7 | 157.7 | -176.9 | -66.4 | -68.2 | 0 | 0 | 0 | 112.5 | S87 I172 N176 Q177 T178 G273 | S87-H174 PolarHBondContact OG-ND1 2.82Å; I172-H174 VanDerWaalsContact CG2-CE1 3.45Å; I172-H174 WeakPolarHBondContact CG2-CE1 3.37Å; I172-H174 WeakPolarHBondContact CG2-NE2 3.41Å; H174-N176 WeakPolarHBondContact CB-OD1 3.35Å; H174-N176 PolarHBondContact O-N 2.86Å; H174-N176 VanDerWaalsContact O-N 3.1Å; H174-Q177 PolarHBondContact O-N 2.87Å; H174-T178 PolarHBondContact CD2-OG1 2.89Å; H174-T178 PolarHBondContact N-O 2.76Å; H174-G273 VanDerWaalsContact CD2-CA 3.42Å; H174-G273 WeakPolarHBondContact CD2-CA 3.47Å; H174-G273 VanDerWaalsContact NE2-CA 3.33Å; H174-G273 WeakPolarHBondContact NE2-CA 2.95Å | ||
| 175 | P | 91.3 | Very high | 93.1 | Very high | 44 Ų | 44 | 10.1 Ų | 10.1 | 29% | 0.286 | 5% | 0.053 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27.7 | 177.7 | -23.5 | 30.1 | 0 | 0 | 0 | 114.7 | Q177 | P175-Q177 PolarHBondContact O-N 3.37Š|
| 176 | N | 89.5 | Confident | 92.6 | Very high | 34 Ų | 34 | 13.7 Ų | 13.7 | 18% | 0.182 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 9.4 | 178.2 | 72.3 | -17.6 | 0 | 0 | 0 | 113.4 | H174 T178 W216 R274 | H174-N176 WeakPolarHBondContact CB-OD1 3.35Å; H174-N176 PolarHBondContact O-N 2.86Å; H174-N176 VanDerWaalsContact O-N 3.1Å; N176-T178 VanDerWaalsContact C-N 3.28Å; N176-T178 PolarHBondContact ND2-OG1 2.93Å; N176-T178 PolarHBondContact O-N 2.91Å; N176-T178 PolarHBondContact OD1-N 2.86Å; N176-T178 VanDerWaalsContact OD1-N 3.14Å; N176-T178 PolarHBondContact OD1-OG1 2.84Å; N176-W216 HydrophobicContact CB-CH2 3.8Å; N176-W216 WeakPolarHBondContact ND2-CH2 2.98Å; N176-W216 WeakPolarHBondContact ND2-CZ2 3.2Å; N176-R274 PolarHBondContact ND2-O 2.06Å |
| 177 | Q | 91.5 | Very high | 92.3 | Very high | 5 Ų | 5 | 13.5 Ų | 13.5 | 2% | 0.023 | 7% | 0.065 | C | C | . | . | S | Bend | trans | 68.5 | 20.1 | 179.2 | -48.1 | -170.1 | 69.3 | 0 | 0 | 114.8 | H174 P175 N192 I193 I194 L290 | H174-Q177 PolarHBondContact O-N 2.87Å; P175-Q177 PolarHBondContact O-N 3.37Å; Q177-N192 PolarHBondContact O-ND2 3.31Å; Q177-I193 HydrophobicContact CB-CG2 4.01Å; Q177-I193 WeakPolarHBondContact O-CG2 3.37Å; Q177-I193 PolarHBondContact O-N 2.8Å; Q177-I194 VanDerWaalsContact CD-CD1 3.49Å; Q177-L290 PolarHBondContact NE2-O 3.41Å |
| 178 | T | 93.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 2% | 0.018 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 154.8 | 162.3 | 64.1 | 0 | 0 | 0 | 0 | 110.9 | H174 N176 G191 R274 Q276 | H174-T178 PolarHBondContact CD2-OG1 2.89Å; H174-T178 PolarHBondContact N-O 2.76Å; N176-T178 VanDerWaalsContact C-N 3.28Å; N176-T178 PolarHBondContact ND2-OG1 2.93Å; N176-T178 PolarHBondContact O-N 2.91Å; N176-T178 PolarHBondContact OD1-N 2.86Å; N176-T178 VanDerWaalsContact OD1-N 3.14Å; N176-T178 PolarHBondContact OD1-OG1 2.84Å; T178-G191 WeakPolarHBondContact CA-O 3.4Å; T178-G191 VanDerWaalsContact CB-O 3.31Å; T178-G191 WeakPolarHBondContact CB-O 3.48Å; T178-R274 WeakPolarHBondContact CG2-O 3.5Å; T178-Q276 HydrophobicContact CG2-CB 4.03Å; T178-Q276 HydrophobicContact CG2-CG 3.7Å |
| 179 | Y | 94.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 0% | 0.004 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 159.4 | 176.3 | 75.7 | -77.9 | 0 | 0 | 0 | 110.5 | L154 I172 I181 M189 A190 G191 I193 D196 F197 | L154-Y179 HydrophobicContact CD1-CE2 4.23Å; L154-Y179 WeakPolarHBondContact CD1-OH 3.46Å; I172-Y179 CarbonylContact O-C 3.53Å; I172-Y179 WeakPolarHBondContact O-CA 3.48Å; I172-Y179 VanDerWaalsContact O-CB 3.26Å; I172-Y179 WeakPolarHBondContact O-CB 3.13Å; Y179-I181 HydrophobicContact CD2-CD1 4.47Å; Y179-I181 HydrophobicContact CD2-CG1 4.11Å; Y179-I181 HydrophobicContact CE2-CD1 4.1Å; Y179-I181 HydrophobicContact CE2-CG1 4.12Å; Y179-M189 HydrophobicContact CE2-CG 4.27Å; Y179-M189 WeakPolarHBondContact OH-CG 3.43Å; Y179-M189 PolarHBondContact OH-SD 3.09Å; Y179-M189 VanDerWaalsContact OH-SD 3.36Å; Y179-A190 WeakPolarHBondContact O-CA 3.37Å; Y179-A190 VanDerWaalsContact O-CB 3.24Å; Y179-A190 WeakPolarHBondContact O-CB 3.26Å; Y179-G191 PolarHBondContact N-O 3.09Å; Y179-G191 VanDerWaalsContact N-O 3.14Å; Y179-G191 PolarHBondContact O-N 3.4Å; Y179-I193 HydrophobicContact CD1-CB 4.09Å; Y179-I193 HydrophobicContact CD1-CG1 4.46Å; Y179-D196 HydrophobicContact CE1-CB 3.85Å; Y179-D196 WeakPolarHBondContact CE1-OD2 3.45Å; Y179-D196 WeakPolarHBondContact OH-CB 3.33Å; Y179-D196 PolarHBondContact OH-OD2 3.43Å; Y179-F197 HydrophobicContact CD1-CE2 4.23Å; Y179-F197 HydrophobicContact CD2-CE2 4.31Å; Y179-F197 HydrophobicContact CE1-CE2 4.05Å; Y179-F197 HydrophobicContact CE2-CE2 4.13Å; Y179-F197 HydrophobicContact CG-CE2 4.37Å |
| 180 | E | 93.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 1% | 0.014 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.2 | 169 | -56.1 | -176.2 | -174.6 | 0 | 0 | 109 | I172 R182 M189 A190 Y271 | I172-E180 HydrophobicContact CB-CB 4.26Å; I172-E180 PolarHBondContact N-O 2.82Å; I172-E180 PolarHBondContact O-N 3.31Å; E180-R182 HydrophobicContact CB-CG 4.47Å; E180-R182 IonicContact OE2-CZ 2.68Å; E180-R182 VanDerWaalsContact OE2-CZ 3.27Å; E180-R182 IonicContact OE2-NE 2.85Å; E180-R182 PolarHBondContact OE2-NE 2.87Å; E180-R182 IonicContact OE2-NH2 3.98Å; E180-R182 PolarHBondContact OE2-NH2 2.97Å; E180-M189 CarbonylContact C-O 3.54Å; E180-M189 WeakPolarHBondContact CA-O 3.25Å; E180-A190 HydrophobicContact CB-CB 4.46Å; E180-A190 HydrophobicContact CG-CB 3.94Å; E180-Y271 WeakPolarHBondContact OE1-CE1 3.48Å; E180-Y271 PolarHBondContact OE1-OH 3.46Å |
| 181 | I | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.3 | 162.8 | -64 | 170.7 | 0 | 0 | 0 | 106.6 | F129 I141 A143 L154 L158 T170 L171 Y179 R188 M189 | F129-I181 HydrophobicContact CE2-CD1 4.47Å; F129-I181 HydrophobicContact CE2-CG1 4.18Å; F129-I181 HydrophobicContact CE2-CG2 3.86Å; F129-I181 HydrophobicContact CZ-CG2 4.13Å; I141-I181 HydrophobicContact CD1-CG2 4.45Å; I141-I181 HydrophobicContact CG2-CG2 4.23Å; A143-I181 HydrophobicContact CB-CD1 3.85Å; L154-I181 HydrophobicContact CD2-CD1 4.09Å; L158-I181 HydrophobicContact CD2-CB 4.17Å; L158-I181 HydrophobicContact CD2-CD1 4.36Å; L158-I181 HydrophobicContact CD2-CG2 3.66Å; T170-I181 CarbonylContact O-C 3.35Å; T170-I181 WeakPolarHBondContact O-CA 3.32Å; L171-I181 HydrophobicContact CD1-CG1 3.9Å; Y179-I181 HydrophobicContact CD2-CD1 4.47Å; Y179-I181 HydrophobicContact CD2-CG1 4.11Å; Y179-I181 HydrophobicContact CE2-CD1 4.1Å; Y179-I181 HydrophobicContact CE2-CG1 4.12Å; I181-R188 PolarHBondContact O-N 2.91Å; I181-M189 HydrophobicContact CB-CB 4.4Å; I181-M189 PolarHBondContact N-O 2.87Å; I181-M189 PolarHBondContact O-N 3.28Å; I181-M189 VanDerWaalsContact O-N 3.11Å |
| 182 | R | 92.7 | Very high | 91.1 | Very high | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.015 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 146.7 | 176.7 | -52.9 | 177.8 | 162.9 | -122 | -6.8 | 110.2 | T170 E180 N185 R186 V187 | T170-R182 PolarHBondContact N-O 3.37Å; T170-R182 PolarHBondContact O-N 3.45Å; E180-R182 HydrophobicContact CB-CG 4.47Å; E180-R182 IonicContact OE2-CZ 2.68Å; E180-R182 VanDerWaalsContact OE2-CZ 3.27Å; E180-R182 IonicContact OE2-NE 2.85Å; E180-R182 PolarHBondContact OE2-NE 2.87Å; E180-R182 IonicContact OE2-NH2 3.98Å; E180-R182 PolarHBondContact OE2-NH2 2.97Å; R182-N185 PolarHBondContact NH1-O 3.2Å; R182-N185 PolarHBondContact NH1-OD1 2.8Å; R182-R186 CarbonylContact C-O 3.56Å; R182-R186 WeakPolarHBondContact CA-O 3.33Å; R182-R186 WeakPolarHBondContact CB-O 3.48Å; R182-V187 HydrophobicContact CG-CG2 4.14Å; R182-V187 VanDerWaalsContact CZ-CG2 3.5Å; R182-V187 VanDerWaalsContact NH2-CG2 3.35Å |
| 183 | V | 91.4 | Very high | 91 | Very high | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.024 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.3 | 166.3 | 177.7 | 0 | 0 | 0 | 0 | 106.6 | I141 E161 F168 Y169 N185 R186 R188 | I141-V183 HydrophobicContact CD1-CG2 3.42Å; I141-V183 VanDerWaalsContact CD1-CG2 3.42Å; E161-V183 HydrophobicContact CG-CG1 3.65Å; F168-V183 CarbonylContact O-C 3.59Å; F168-V183 WeakPolarHBondContact O-CA 3.47Å; Y169-V183 HydrophobicContact CD1-CG2 3.85Å; Y169-V183 HydrophobicContact CE1-CG1 4.49Å; Y169-V183 HydrophobicContact CE1-CG2 3.84Å; V183-N185 PolarHBondContact O-N 3.25Å; V183-R186 PolarHBondContact N-O 2.88Å; V183-R186 WeakPolarHBondContact O-CA 3.49Å; V183-R186 VanDerWaalsContact O-CB 3.31Å; V183-R186 WeakPolarHBondContact O-CB 3.29Å; V183-R186 PolarHBondContact O-N 2.93Å; V183-R188 HydrophobicContact CB-CG 3.8Å; V183-R188 HydrophobicContact CG2-CG 3.79Å |
| 184 | D | 89.1 | Confident | 90.8 | Very high | 16 Ų | 16 | 16.6 Ų | 16.6 | 9% | 0.086 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 45.8 | -178.7 | -58.6 | -19.6 | 0 | 0 | 0 | 111.3 | H167 F168 R186 F257 F333 R337 | H167-D184 VanDerWaalsContact CA-OD1 3.3Å; H167-D184 WeakPolarHBondContact CA-OD1 3.42Å; H167-D184 IonicContact CE1-OD2 2.72Å; H167-D184 PolarHBondContact CE1-OD2 3.33Å; H167-D184 IonicContact CG-OD1 2.64Å; H167-D184 IonicContact CG-OD2 3.5Å; H167-D184 IonicContact ND1-OD1 3.55Å; H167-D184 PolarHBondContact ND1-OD1 2.9Å; H167-D184 IonicContact ND1-OD2 3.87Å; H167-D184 PolarHBondContact ND1-OD2 3.39Å; F168-D184 PolarHBondContact N-OD1 3.39Å; F168-D184 PolarHBondContact O-N 2.85Å; D184-R186 PolarHBondContact O-N 3.05Å; D184-F257 WeakPolarHBondContact O-CD2 3.48Å; D184-F257 WeakPolarHBondContact O-CE2 3.35Å; D184-F333 HydrophobicContact CB-CE1 3.68Å; D184-F333 HydrophobicContact CB-CZ 4.33Å; D184-F333 WeakPolarHBondContact OD1-CE1 3.13Å; D184-F333 VanDerWaalsContact OD1-CZ 3.27Å; D184-F333 WeakPolarHBondContact OD1-CZ 3.3Å; D184-R337 IonicContact OD2-CZ 2.78Å; D184-R337 IonicContact OD2-NH1 3.44Å; D184-R337 PolarHBondContact OD2-NH1 3.02Å; D184-R337 IonicContact OD2-NH2 3.49Å |
| 185 | N | 85.6 | Confident | 90.8 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 3 | -174.4 | -160.2 | 5.5 | 0 | 0 | 0 | 115.4 | R182 V183 F257 G259 R267 F326 D329 | R182-N185 PolarHBondContact NH1-O 3.2Å; R182-N185 PolarHBondContact NH1-OD1 2.8Å; V183-N185 PolarHBondContact O-N 3.25Å; N185-F257 HydrophobicContact CB-CE2 3.7Å; N185-F257 HydrophobicContact CB-CZ 3.57Å; N185-G259 PolarHBondContact ND2-O 3.06Å; N185-G259 WeakPolarHBondContact O-CA 3.5Å; N185-R267 PolarHBondContact ND2-NH2 3Å; N185-F326 VanDerWaalsContact OD1-CD1 3.23Å; N185-F326 WeakPolarHBondContact OD1-CD1 3.14Å; N185-D329 HydrophobicContact CB-CB 4.02Å; N185-D329 WeakPolarHBondContact CB-OD2 3.26Å |
| 186 | R | 82.2 | Confident | 90.9 | Very high | 121 Ų | 121 | 18.7 Ų | 18.7 | 46% | 0.457 | 9% | 0.093 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 130.4 | 172.2 | 179.7 | -179.2 | 178.4 | -159.1 | 3.1 | 109.3 | R182 V183 D184 R188 V258 | R182-R186 CarbonylContact C-O 3.56Å; R182-R186 WeakPolarHBondContact CA-O 3.33Å; R182-R186 WeakPolarHBondContact CB-O 3.48Å; V183-R186 PolarHBondContact N-O 2.88Å; V183-R186 WeakPolarHBondContact O-CA 3.49Å; V183-R186 VanDerWaalsContact O-CB 3.31Å; V183-R186 WeakPolarHBondContact O-CB 3.29Å; V183-R186 PolarHBondContact O-N 2.93Å; D184-R186 PolarHBondContact O-N 3.05Å; R186-R188 PolarHBondContact O-N 2.85Å; R186-V258 HydrophobicContact CB-CB 4.28Å; R186-V258 HydrophobicContact CG-CB 3.95Å; R186-V258 HydrophobicContact CG-CG1 4.22Å; R186-V258 HydrophobicContact CG-CG2 4.43Å |
| 187 | V | 86.4 | Confident | 91.2 | Very high | 18 Ų | 18 | 17.3 Ų | 17.3 | 11% | 0.109 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 120.5 | 173.9 | -170.3 | 0 | 0 | 0 | 0 | 110.3 | R182 M189 A190 F242 | R182-V187 HydrophobicContact CG-CG2 4.14Å; R182-V187 VanDerWaalsContact CZ-CG2 3.5Å; R182-V187 VanDerWaalsContact NH2-CG2 3.35Å; V187-M189 WeakPolarHBondContact CG1-O 3.47Å; V187-A190 HydrophobicContact CG1-CB 4.18Å; V187-F242 HydrophobicContact CB-CE2 4.05Å; V187-F242 HydrophobicContact CB-CZ 4.1Å; V187-F242 HydrophobicContact CG1-CE2 3.6Å; V187-F242 HydrophobicContact CG1-CZ 3.41Å; V187-F242 VanDerWaalsContact CG1-CZ 3.41Å; V187-F242 HydrophobicContact CG2-CE2 3.9Å; V187-F242 HydrophobicContact CG2-CZ 4.45Å |
| 188 | R | 88.4 | Confident | 91.2 | Very high | 37 Ų | 37 | 21.3 Ų | 21.3 | 14% | 0.14 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -30.5 | 179.3 | -68.1 | -65 | -65 | -77.8 | -0.5 | 112 | L158 T159 E161 I181 V183 R186 | L158-R188 HydrophobicContact CD1-CB 4.13Å; L158-R188 HydrophobicContact CD2-CB 3.94Å; T159-R188 PolarHBondContact O-NH2 2.75Å; T159-R188 PolarHBondContact OG1-NH2 2.98Å; E161-R188 IonicContact OE1-CZ 3.82Å; E161-R188 IonicContact OE1-NH1 2.76Å; E161-R188 PolarHBondContact OE1-NH1 2.92Å; E161-R188 IonicContact OE1-NH2 3.03Å; I181-R188 PolarHBondContact O-N 2.91Å; V183-R188 HydrophobicContact CB-CG 3.8Å; V183-R188 HydrophobicContact CG2-CG 3.79Å; R186-R188 PolarHBondContact O-N 2.85Å |
| 189 | M | 90.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 6% | 0.059 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 146 | 169.9 | -167.2 | 166.6 | -58.6 | 0 | 0 | 110.3 | L154 K156 L158 Y179 E180 I181 V187 | L154-M189 HydrophobicContact CD1-SD 3.74Å; L154-M189 HydrophobicContact CD2-CE 3.98Å; L154-M189 HydrophobicContact CD2-SD 3.58Å; L154-M189 VanDerWaalsContact CD2-SD 3.58Å; L154-M189 HydrophobicContact CG-SD 3.96Å; K156-M189 HydrophobicContact CB-CE 3.99Å; K156-M189 HydrophobicContact CD-CE 3.93Å; K156-M189 HydrophobicContact CG-CE 4Å; L158-M189 HydrophobicContact CB-CE 4.14Å; L158-M189 HydrophobicContact CD1-CE 4.13Å; L158-M189 HydrophobicContact CD2-CB 4.16Å; Y179-M189 HydrophobicContact CE2-CG 4.27Å; Y179-M189 WeakPolarHBondContact OH-CG 3.43Å; Y179-M189 PolarHBondContact OH-SD 3.09Å; Y179-M189 VanDerWaalsContact OH-SD 3.36Å; E180-M189 CarbonylContact C-O 3.54Å; E180-M189 WeakPolarHBondContact CA-O 3.25Å; I181-M189 HydrophobicContact CB-CB 4.4Å; I181-M189 PolarHBondContact N-O 2.87Å; I181-M189 PolarHBondContact O-N 3.28Å; I181-M189 VanDerWaalsContact O-N 3.11Å; V187-M189 WeakPolarHBondContact CG1-O 3.47Å |
| 190 | A | 91.6 | Very high | 90.6 | Very high | 26 Ų | 26 | 25 Ų | 25 | 22% | 0.215 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 152.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | Y179 E180 V187 F242 | Y179-A190 WeakPolarHBondContact O-CA 3.37Å; Y179-A190 VanDerWaalsContact O-CB 3.24Å; Y179-A190 WeakPolarHBondContact O-CB 3.26Å; E180-A190 HydrophobicContact CB-CB 4.46Å; E180-A190 HydrophobicContact CG-CB 3.94Å; V187-A190 HydrophobicContact CG1-CB 4.18Å; A190-F242 HydrophobicContact CB-CE1 3.98Å; A190-F242 HydrophobicContact CB-CE2 3.61Å; A190-F242 HydrophobicContact CB-CZ 3.19Å |
| 191 | G | 90.5 | Very high | 90.2 | Very high | 8 Ų | 8 | 27 Ų | 27 | 8% | 0.082 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.5 | -153 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T178 Y179 D196 | T178-G191 WeakPolarHBondContact CA-O 3.4Å; T178-G191 VanDerWaalsContact CB-O 3.31Å; T178-G191 WeakPolarHBondContact CB-O 3.48Å; Y179-G191 PolarHBondContact N-O 3.09Å; Y179-G191 VanDerWaalsContact N-O 3.14Å; Y179-G191 PolarHBondContact O-N 3.4Å; G191-D196 WeakPolarHBondContact CA-OD2 3.02Å |
| 192 | N | 92.3 | Very high | 89.5 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 127.7 | 172.8 | -161.6 | -95.6 | 0 | 0 | 0 | 108.7 | Q177 I194 D195 D196 R206 Q276 | Q177-N192 PolarHBondContact O-ND2 3.31Å; N192-I194 PolarHBondContact O-N 2.91Å; N192-I194 VanDerWaalsContact OD1-CB 3.23Å; N192-I194 WeakPolarHBondContact OD1-CB 3.48Å; N192-I194 PolarHBondContact OD1-N 2.98Å; N192-D195 HydrophobicContact CB-CB 4.05Å; N192-D195 PolarHBondContact O-N 3.47Å; N192-D195 PolarHBondContact OD1-N 3.38Å; N192-D196 WeakPolarHBondContact O-CB 3.5Å; N192-D196 PolarHBondContact O-N 3.42Å; N192-R206 PolarHBondContact ND2-NH1 2.96Å; N192-Q276 VanDerWaalsContact CG-OE1 3.3Å; N192-Q276 PolarHBondContact ND2-OE1 2.73Å |
| 193 | I | 93 | Very high | 89.2 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.9 | -32.3 | -179.5 | -156 | 174.4 | 0 | 0 | 0 | 111.4 | I145 I173 Q177 Y179 F197 L199 L292 | I145-I193 HydrophobicContact CD1-CD1 3.25Å; I145-I193 HydrophobicContact CD1-CG1 3.34Å; I145-I193 HydrophobicContact CG1-CD1 4.46Å; I173-I193 HydrophobicContact CB-CD1 4.49Å; I173-I193 HydrophobicContact CD1-CD1 3.54Å; I173-I193 HydrophobicContact CG1-CD1 3.82Å; I173-I193 HydrophobicContact CG2-CD1 3.83Å; Q177-I193 HydrophobicContact CB-CG2 4.01Å; Q177-I193 WeakPolarHBondContact O-CG2 3.37Å; Q177-I193 PolarHBondContact O-N 2.8Å; Y179-I193 HydrophobicContact CD1-CB 4.09Å; Y179-I193 HydrophobicContact CD1-CG1 4.46Å; I193-F197 HydrophobicContact CB-CD2 4.49Å; I193-F197 HydrophobicContact CG1-CD2 3.71Å; I193-F197 HydrophobicContact CG1-CE2 3.87Å; I193-F197 HydrophobicContact CG1-CG 4.38Å; I193-F197 VanDerWaalsContact O-CB 3.28Å; I193-F197 WeakPolarHBondContact O-CB 3.19Å; I193-F197 WeakPolarHBondContact O-CD2 3.3Å; I193-F197 PolarHBondContact O-N 2.7Å; I193-L199 HydrophobicContact CG1-CD1 4.16Å; I193-L292 HydrophobicContact CG2-CD1 3.73Å |
| 194 | I | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.6 | -46.9 | 178.8 | -55.6 | 173.6 | 0 | 0 | 0 | 111.2 | Q177 N192 D198 L199 M204 Y279 L290 L292 | Q177-I194 VanDerWaalsContact CD-CD1 3.49Å; N192-I194 PolarHBondContact O-N 2.91Å; N192-I194 VanDerWaalsContact OD1-CB 3.23Å; N192-I194 WeakPolarHBondContact OD1-CB 3.48Å; N192-I194 PolarHBondContact OD1-N 2.98Å; I194-D198 WeakPolarHBondContact O-CA 3.42Å; I194-D198 PolarHBondContact O-N 3.19Å; I194-L199 HydrophobicContact CG2-CB 4.36Å; I194-L199 PolarHBondContact O-N 3.23Å; I194-M204 HydrophobicContact CB-CE 4.35Å; I194-M204 HydrophobicContact CD1-CE 4.05Å; I194-M204 HydrophobicContact CD1-SD 3.59Å; I194-M204 VanDerWaalsContact CD1-SD 3.59Å; I194-M204 HydrophobicContact CG1-SD 4.49Å; I194-M204 HydrophobicContact CG2-CE 3.16Å; I194-M204 HydrophobicContact CG2-SD 3.84Å; I194-Y279 HydrophobicContact CB-CD2 4.18Å; I194-Y279 HydrophobicContact CB-CE2 3.95Å; I194-Y279 HydrophobicContact CD1-CD2 3.22Å; I194-Y279 HydrophobicContact CD1-CE2 3.88Å; I194-Y279 HydrophobicContact CD1-CG 3.58Å; I194-Y279 HydrophobicContact CG1-CD2 4.21Å; I194-Y279 HydrophobicContact CG1-CE2 4.49Å; I194-Y279 HydrophobicContact CG2-CE2 4.18Å; I194-L290 HydrophobicContact CD1-CD2 3.88Å; I194-L292 HydrophobicContact CG1-CD1 3.81Å |
| 195 | D | 92.5 | Very high | 89 | Confident | 45 Ų | 45 | 42 Ų | 42 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.3 | -44.9 | -178.1 | -65.3 | -17.5 | 0 | 0 | 0 | 112 | K155 N192 H200 R206 Y279 | K155-D195 WeakPolarHBondContact CD-O 3.28Å; K155-D195 WeakPolarHBondContact CE-O 3.4Å; K155-D195 PolarHBondContact NZ-O 2.89Å; N192-D195 HydrophobicContact CB-CB 4.05Å; N192-D195 PolarHBondContact O-N 3.47Å; N192-D195 PolarHBondContact OD1-N 3.38Å; D195-H200 IonicContact OD1-CE1 3.68Å; D195-H200 IonicContact OD1-NE2 3.51Å; D195-R206 IonicContact OD1-NH2 3.98Å; D195-R206 IonicContact OD2-CZ 2.67Å; D195-R206 IonicContact OD2-NE 3.72Å; D195-R206 IonicContact OD2-NH2 2.84Å; D195-R206 PolarHBondContact OD2-NH2 3.21Å; D195-Y279 PolarHBondContact OD1-OH 3.26Å |
| 196 | D | 94.2 | Very high | 89.2 | Confident | 48 Ų | 48 | 44.1 Ų | 44.1 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -81.5 | -18.6 | -169.6 | -63.8 | -13.5 | 0 | 0 | 0 | 112.7 | L154 K155 Y179 G191 N192 | L154-D196 HydrophobicContact CD1-CB 4.06Å; K155-D196 WeakPolarHBondContact CB-O 3.25Å; K155-D196 WeakPolarHBondContact CG-O 3.3Å; K155-D196 PolarHBondContact N-O 3.3Å; Y179-D196 HydrophobicContact CE1-CB 3.85Å; Y179-D196 WeakPolarHBondContact CE1-OD2 3.45Å; Y179-D196 WeakPolarHBondContact OH-CB 3.33Å; Y179-D196 PolarHBondContact OH-OD2 3.43Å; G191-D196 WeakPolarHBondContact CA-OD2 3.02Å; N192-D196 WeakPolarHBondContact O-CB 3.5Å; N192-D196 PolarHBondContact O-N 3.42Å |
| 197 | F | 94.9 | Very high | 89.6 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 2% | 0.022 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -109 | -2.5 | 174.2 | -65.4 | -109 | 0 | 0 | 0 | 113.4 | A143 I145 F152 L154 Y179 I193 L199 | A143-F197 HydrophobicContact CB-CE1 3.84Å; A143-F197 HydrophobicContact CB-CZ 3.82Å; A143-F197 VanDerWaalsContact O-CE1 3.31Å; A143-F197 WeakPolarHBondContact O-CE1 3.27Å; I145-F197 HydrophobicContact CD1-CB 4.38Å; I145-F197 HydrophobicContact CD1-CD1 3.58Å; I145-F197 HydrophobicContact CD1-CD2 4.12Å; I145-F197 HydrophobicContact CD1-CE1 3.73Å; I145-F197 HydrophobicContact CD1-CE2 4.28Å; I145-F197 HydrophobicContact CD1-CG 3.78Å; I145-F197 HydrophobicContact CD1-CZ 4.09Å; I145-F197 HydrophobicContact CG1-CD1 4.07Å; I145-F197 HydrophobicContact CG1-CE1 4.06Å; F152-F197 HydrophobicContact CB-CB 4.33Å; F152-F197 WeakPolarHBondContact CB-O 3.38Å; F152-F197 WeakPolarHBondContact O-CD1 3.38Å; L154-F197 HydrophobicContact CB-CE1 4.25Å; L154-F197 HydrophobicContact CB-CZ 4.34Å; L154-F197 HydrophobicContact CD1-CD2 4.18Å; L154-F197 HydrophobicContact CD1-CE2 3.68Å; L154-F197 HydrophobicContact CD1-CZ 3.88Å; Y179-F197 HydrophobicContact CD1-CE2 4.23Å; Y179-F197 HydrophobicContact CD2-CE2 4.31Å; Y179-F197 HydrophobicContact CE1-CE2 4.05Å; Y179-F197 HydrophobicContact CE2-CE2 4.13Å; Y179-F197 HydrophobicContact CG-CE2 4.37Å; I193-F197 HydrophobicContact CB-CD2 4.49Å; I193-F197 HydrophobicContact CG1-CD2 3.71Å; I193-F197 HydrophobicContact CG1-CE2 3.87Å; I193-F197 HydrophobicContact CG1-CG 4.38Å; I193-F197 VanDerWaalsContact O-CB 3.28Å; I193-F197 WeakPolarHBondContact O-CB 3.19Å; I193-F197 WeakPolarHBondContact O-CD2 3.3Å; I193-F197 PolarHBondContact O-N 2.7Å; F197-L199 HydrophobicContact CB-CD1 3.95Å; F197-L199 HydrophobicContact CB-CG 3.95Å |
| 198 | D | 92.2 | Very high | 89.8 | Confident | 90 Ų | 90 | 47 Ų | 47 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 38.4 | -176.4 | -142.1 | 43.8 | 0 | 0 | 0 | 114.7 | F152 K155 I194 H200 | F152-D198 WeakPolarHBondContact CD1-O 3.49Å; F152-D198 WeakPolarHBondContact CE1-O 3.25Å; K155-D198 VanDerWaalsContact CE-CB 3.47Å; K155-D198 WeakPolarHBondContact CE-OD1 3.27Å; K155-D198 IonicContact NZ-OD1 2.58Å; K155-D198 PolarHBondContact NZ-OD1 2.91Å; I194-D198 WeakPolarHBondContact O-CA 3.42Å; I194-D198 PolarHBondContact O-N 3.19Å; D198-H200 PolarHBondContact O-N 3.33Å; D198-H200 VanDerWaalsContact O-N 3.11Å; D198-H200 IonicContact OD1-ND1 2.69Å |
| 199 | L | 90.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | trans | -79.9 | 15.4 | -175.6 | -70.3 | 163.2 | 0 | 0 | 0 | 114.4 | I145 R147 F152 I193 I194 F197 I201 L292 | I145-L199 HydrophobicContact CB-CD1 4.43Å; I145-L199 HydrophobicContact CD1-CD1 3.72Å; I145-L199 HydrophobicContact CG2-CD1 4.23Å; I145-L199 HydrophobicContact CG2-CD2 4.18Å; R147-L199 PolarHBondContact NH1-O 3.23Å; F152-L199 HydrophobicContact CB-CD2 3.63Å; F152-L199 HydrophobicContact CB-CG 4.17Å; F152-L199 HydrophobicContact CD1-CD2 3.8Å; F152-L199 HydrophobicContact CD1-CG 4.34Å; F152-L199 HydrophobicContact CD2-CD2 3.43Å; F152-L199 VanDerWaalsContact CD2-CD2 3.43Å; F152-L199 HydrophobicContact CE1-CD2 4.29Å; F152-L199 HydrophobicContact CE2-CD2 3.97Å; F152-L199 HydrophobicContact CG-CD2 3.33Å; F152-L199 HydrophobicContact CG-CG 4.16Å; F152-L199 HydrophobicContact CZ-CD2 4.37Å; I193-L199 HydrophobicContact CG1-CD1 4.16Å; I194-L199 HydrophobicContact CG2-CB 4.36Å; I194-L199 PolarHBondContact O-N 3.23Å; F197-L199 HydrophobicContact CB-CD1 3.95Å; F197-L199 HydrophobicContact CB-CG 3.95Å; L199-I201 PolarHBondContact O-N 2.97Å; L199-L292 HydrophobicContact CB-CD1 4.28Å; L199-L292 HydrophobicContact CD1-CD1 3.8Å | ||
| 200 | H | 85.1 | Confident | 89.9 | Confident | 80 Ų | 80 | 54.9 Ų | 54.9 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | trans | -55.4 | 136.4 | -176.7 | -65 | 64.6 | 0 | 0 | 0 | 111.9 | D195 D198 M204 Y279 | D195-H200 IonicContact OD1-CE1 3.68Å; D195-H200 IonicContact OD1-NE2 3.51Å; D198-H200 PolarHBondContact O-N 3.33Å; D198-H200 VanDerWaalsContact O-N 3.11Å; D198-H200 IonicContact OD1-ND1 2.69Å; H200-M204 HydrophobicContact CB-CE 3.86Å; H200-M204 WeakPolarHBondContact CD2-CE 3.34Å; H200-M204 VanDerWaalsContact CG-CE 3.47Å; H200-Y279 AromaticContact NE2-CZ 3.89Å; H200-Y279 PolarHBondContact NE2-OH 3.4Å | ||
| 201 | I | 83.8 | Confident | 90 | Very high | 45 Ų | 45 | 64 Ų | 64 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | trans | -111.3 | 157.8 | 171.2 | 54.5 | -176.5 | 0 | 0 | 0 | 110.2 | R147 L199 Y203 M204 I281 L290 | R147-I201 VanDerWaalsContact NH1-CG2 3.3Å; L199-I201 PolarHBondContact O-N 2.97Å; I201-Y203 PolarHBondContact O-N 3.34Å; I201-M204 HydrophobicContact CG1-CB 3.79Å; I201-M204 HydrophobicContact CG1-CG 4.4Å; I201-M204 HydrophobicContact CG1-SD 4.24Å; I201-M204 VanDerWaalsContact O-CB 3.29Å; I201-M204 WeakPolarHBondContact O-CB 3.18Å; I201-M204 PolarHBondContact O-N 3.15Å; I201-M204 VanDerWaalsContact O-N 3.15Å; I201-I281 HydrophobicContact CD1-CD1 3.7Å; I201-I281 HydrophobicContact CD1-CG1 3.89Å; I201-L290 HydrophobicContact CD1-CD1 4.49Å; I201-L290 HydrophobicContact CD1-CD2 4.45Å | ||
| 202 | P | 81.1 | Confident | 90.1 | Very high | 95 Ų | 95 | 67.6 Ų | 67.6 | 62% | 0.617 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | 135.3 | 172.2 | -28.2 | 36.2 | 0 | 0 | 0 | 111.2 | M204 | P202-M204 PolarHBondContact O-N 3.31Š|
| 203 | Y | 85.6 | Confident | 90.2 | Very high | 172 Ų | 172 | 69.8 Ų | 69.8 | 68% | 0.675 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 11.9 | 177 | -34.3 | -76.3 | 0 | 0 | 0 | 116.4 | I201 K282 | I201-Y203 PolarHBondContact O-N 3.34Å; Y203-K282 WeakPolarHBondContact CB-O 3.36Å; Y203-K282 PolarHBondContact O-N 2.74Å |
| 204 | M | 88.3 | Confident | 90.2 | Very high | 18 Ų | 18 | 76 Ų | 76 | 9% | 0.089 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 129 | 169.5 | -168.9 | -173.5 | 80.4 | 0 | 0 | 110.4 | I194 H200 I201 P202 Y279 I280 L290 | I194-M204 HydrophobicContact CB-CE 4.35Å; I194-M204 HydrophobicContact CD1-CE 4.05Å; I194-M204 HydrophobicContact CD1-SD 3.59Å; I194-M204 VanDerWaalsContact CD1-SD 3.59Å; I194-M204 HydrophobicContact CG1-SD 4.49Å; I194-M204 HydrophobicContact CG2-CE 3.16Å; I194-M204 HydrophobicContact CG2-SD 3.84Å; H200-M204 HydrophobicContact CB-CE 3.86Å; H200-M204 WeakPolarHBondContact CD2-CE 3.34Å; H200-M204 VanDerWaalsContact CG-CE 3.47Å; I201-M204 HydrophobicContact CG1-CB 3.79Å; I201-M204 HydrophobicContact CG1-CG 4.4Å; I201-M204 HydrophobicContact CG1-SD 4.24Å; I201-M204 VanDerWaalsContact O-CB 3.29Å; I201-M204 WeakPolarHBondContact O-CB 3.18Å; I201-M204 PolarHBondContact O-N 3.15Å; I201-M204 VanDerWaalsContact O-N 3.15Å; P202-M204 PolarHBondContact O-N 3.31Å; M204-Y279 HydrophobicContact CE-CD1 3.5Å; M204-Y279 VanDerWaalsContact CE-CD1 3.5Å; M204-Y279 HydrophobicContact CE-CD2 4.41Å; M204-Y279 HydrophobicContact CE-CE1 3.47Å; M204-Y279 VanDerWaalsContact CE-CE1 3.47Å; M204-Y279 HydrophobicContact CE-CE2 4.35Å; M204-Y279 HydrophobicContact CE-CG 3.97Å; M204-Y279 HydrophobicContact CG-CD1 3.63Å; M204-Y279 HydrophobicContact CG-CE1 4.4Å; M204-Y279 HydrophobicContact CG-CG 4.07Å; M204-Y279 HydrophobicContact SD-CD1 3.98Å; M204-Y279 HydrophobicContact SD-CG 4.08Å; M204-I280 WeakPolarHBondContact CA-O 3.21Å; M204-L290 HydrophobicContact CG-CD2 3.75Å; M204-L290 HydrophobicContact SD-CD2 3.33Å; M204-L290 WeakPolarHBondContact SD-CD2 3.31Å |
| 205 | V | 89.2 | Confident | 90.2 | Very high | 53 Ų | 53 | 80.9 Ų | 80.9 | 32% | 0.321 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 149.7 | 179.3 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | N207 I280 K282 | V205-N207 PolarHBondContact O-N 3.38Å; V205-I280 HydrophobicContact CG2-CD1 4.09Å; V205-I280 HydrophobicContact CG2-CG1 3.72Å; V205-I280 PolarHBondContact N-O 2.92Å; V205-I280 WeakPolarHBondContact O-CG1 3.23Å; V205-I280 PolarHBondContact O-N 3.26Å; V205-K282 HydrophobicContact CG2-CD 3.83Å; V205-K282 HydrophobicContact CG2-CG 4.06Å |
| 206 | R | 89.5 | Confident | 90.1 | Very high | 46 Ų | 46 | 80.5 Ų | 80.5 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 133.1 | 172 | -77.5 | -68.5 | -163.3 | 179 | 2.5 | 109.8 | N192 D195 Y208 R277 Y279 | N192-R206 PolarHBondContact ND2-NH1 2.96Å; D195-R206 IonicContact OD1-NH2 3.98Å; D195-R206 IonicContact OD2-CZ 2.67Å; D195-R206 IonicContact OD2-NE 3.72Å; D195-R206 IonicContact OD2-NH2 2.84Å; D195-R206 PolarHBondContact OD2-NH2 3.21Å; R206-Y208 HydrophobicContact CB-CD2 4.1Å; R206-Y208 HydrophobicContact CB-CE1 4.47Å; R206-Y208 HydrophobicContact CB-CE2 3.57Å; R206-Y208 VanDerWaalsContact O-CD2 3.28Å; R206-Y208 WeakPolarHBondContact O-CD2 3.48Å; R206-Y208 PolarHBondContact O-N 3.09Å; R206-Y208 VanDerWaalsContact O-N 3.15Å; R206-R277 PolarHBondContact NH1-O 2.89Å; R206-Y279 HydrophobicContact CB-CE1 4.44Å; R206-Y279 VanDerWaalsContact CD-CZ 3.5Å; R206-Y279 HydrophobicContact CG-CD1 4.2Å; R206-Y279 HydrophobicContact CG-CE1 3.61Å; R206-Y279 HydrophobicContact CG-CE2 4.44Å; R206-Y279 VanDerWaalsContact NE-CE2 3.29Å; R206-Y279 VanDerWaalsContact NE-CZ 3.29Å; R206-Y279 PolarHBondContact NE-OH 3.06Å |
| 207 | N | 90.3 | Very high | 89.9 | Confident | 26 Ų | 26 | 79.3 Ų | 79.3 | 14% | 0.139 | 38% | 0.384 | C | S | . | . | trans | -84.7 | 87.3 | 174.8 | -172.1 | -9.2 | 0 | 0 | 0 | 111.1 | V205 K209 T210 P278 I280 | V205-N207 PolarHBondContact O-N 3.38Å; N207-K209 PolarHBondContact O-N 2.7Å; N207-K209 WeakPolarHBondContact OD1-CB 3.28Å; N207-K209 PolarHBondContact OD1-N 3.19Å; N207-T210 WeakPolarHBondContact CB-OG1 3.34Å; N207-T210 PolarHBondContact ND2-OG1 3.47Å; N207-T210 PolarHBondContact O-N 3.19Å; N207-T210 PolarHBondContact O-OG1 2.93Å; N207-T210 PolarHBondContact OD1-OG1 2.84Å; N207-P278 HydrophobicContact CB-CG 4.28Å; N207-P278 WeakPolarHBondContact CB-O 3.39Å; N207-P278 PolarHBondContact N-O 3.42Å; N207-I280 HydrophobicContact CB-CD1 4.04Å; N207-I280 HydrophobicContact CB-CG1 4.05Å; N207-I280 HydrophobicContact CB-CG2 3.85Å | ||
| 208 | Y | 91.1 | Very high | 89.5 | Confident | 173 Ų | 173 | 80.4 Ų | 80.4 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -14.7 | 179.6 | -68 | -80.7 | 0 | 0 | 0 | 114.6 | R206 T210 R277 | R206-Y208 HydrophobicContact CB-CD2 4.1Å; R206-Y208 HydrophobicContact CB-CE1 4.47Å; R206-Y208 HydrophobicContact CB-CE2 3.57Å; R206-Y208 VanDerWaalsContact O-CD2 3.28Å; R206-Y208 WeakPolarHBondContact O-CD2 3.48Å; R206-Y208 PolarHBondContact O-N 3.09Å; R206-Y208 VanDerWaalsContact O-N 3.15Å; Y208-T210 VanDerWaalsContact C-N 3.31Å; Y208-R277 PolarHBondContact O-NH1 2.81Å |
| 209 | K | 90.1 | Very high | 89.2 | Confident | 175 Ų | 175 | 80.1 Ų | 80.1 | 76% | 0.761 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -23.7 | 175.8 | -60.6 | 177.4 | -179.1 | 172.4 | 0 | 112.1 | N207 | N207-K209 PolarHBondContact O-N 2.7Å; N207-K209 WeakPolarHBondContact OD1-CB 3.28Å; N207-K209 PolarHBondContact OD1-N 3.19Å |
| 210 | T | 90.5 | Very high | 88.7 | Confident | 40 Ų | 40 | 80.1 Ų | 80.1 | 25% | 0.245 | 38% | 0.382 | C | S | . | . | trans | -69.4 | 138.6 | 178.8 | -23.8 | 0 | 0 | 0 | 0 | 111.3 | N207 Y208 R277 P278 | N207-T210 WeakPolarHBondContact CB-OG1 3.34Å; N207-T210 PolarHBondContact ND2-OG1 3.47Å; N207-T210 PolarHBondContact O-N 3.19Å; N207-T210 PolarHBondContact O-OG1 2.93Å; N207-T210 PolarHBondContact OD1-OG1 2.84Å; Y208-T210 VanDerWaalsContact C-N 3.31Å; T210-R277 PolarHBondContact O-NH1 2.76Å; T210-P278 HydrophobicContact CG2-CG 4.03Å | ||
| 211 | R | 93 | Very high | 88.7 | Confident | 217 Ų | 217 | 76.4 Ų | 76.4 | 82% | 0.819 | 37% | 0.365 | S | S | * | . | trans | -110.7 | 158.4 | 168.8 | -65.9 | -173.3 | 174.4 | -142.5 | -0.8 | 109.9 | P213 W275 | R211-P213 WeakPolarHBondContact O-CD 3.45Å; R211-W275 VanDerWaalsContact C-CZ2 3.48Å | ||
| 212 | K | 92.9 | Very high | 88.7 | Confident | 84 Ų | 84 | 76.1 Ų | 76.1 | 37% | 0.365 | 36% | 0.364 | S | S | . | . | trans | -59.9 | 123.4 | 172.4 | -177.6 | 174.6 | 175.2 | -170.4 | 0 | 109.2 | W216 D218 W275 | K212-W216 WeakPolarHBondContact CE-O 3.32Å; K212-W216 HydrophobicContact CG-CB 4.06Å; K212-W216 PolarHBondContact NZ-O 2.81Å; K212-W216 VanDerWaalsContact NZ-O 3.14Å; K212-D218 WeakPolarHBondContact CE-OD2 3.35Å; K212-D218 VanDerWaalsContact NZ-CG 3.25Å; K212-D218 IonicContact NZ-OD1 2.77Å; K212-D218 IonicContact NZ-OD2 3.81Å; K212-D218 PolarHBondContact NZ-OD2 3.1Å; K212-W275 HydrophobicContact CB-CD2 3.61Å; K212-W275 HydrophobicContact CB-CE3 3.89Å; K212-W275 HydrophobicContact CB-CG 4.02Å; K212-W275 HydrophobicContact CB-CH2 4.24Å; K212-W275 HydrophobicContact CB-CZ2 4.03Å; K212-W275 HydrophobicContact CB-CZ3 4.19Å; K212-W275 HydrophobicContact CD-CB 3.95Å; K212-W275 HydrophobicContact CD-CD2 4.22Å; K212-W275 HydrophobicContact CD-CE3 4.37Å; K212-W275 HydrophobicContact CD-CG 4.04Å; K212-W275 HydrophobicContact CG-CB 4.02Å; K212-W275 HydrophobicContact CG-CD2 3.76Å; K212-W275 HydrophobicContact CG-CE3 4.27Å; K212-W275 HydrophobicContact CG-CG 3.61Å; K212-W275 VanDerWaalsContact N-CZ2 3.26Å | ||
| 213 | P | 93.5 | Very high | 88.7 | Confident | 50 Ų | 50 | 73.8 Ų | 73.8 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | trans | -58.9 | 144.2 | 174.2 | -24.4 | 35.1 | 0 | 0 | 0 | 111.1 | R211 D215 W216 | R211-P213 WeakPolarHBondContact O-CD 3.45Å; P213-D215 WeakPolarHBondContact CB-OD1 3.31Å; P213-D215 PolarHBondContact O-N 3.36Å; P213-W216 HydrophobicContact CB-CB 4.24Å; P213-W216 HydrophobicContact CG-CE3 4.29Å; P213-W216 VanDerWaalsContact O-CB 3.32Å; P213-W216 WeakPolarHBondContact O-CB 3.06Å; P213-W216 PolarHBondContact O-N 3Å | ||
| 214 | S | 92.9 | Very high | 88.7 | Confident | 133 Ų | 133 | 67.8 Ų | 67.8 | 93% | 0.93 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -26.6 | -178.5 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | W216 | S214-W216 VanDerWaalsContact C-N 3.3Š|
| 215 | D | 92.3 | Very high | 88.3 | Confident | 102 Ų | 102 | 76.6 Ų | 76.6 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -3.1 | 175.2 | 69.8 | -51.4 | 0 | 0 | 0 | 112.8 | P213 D217 R272 | P213-D215 WeakPolarHBondContact CB-OD1 3.31Å; P213-D215 PolarHBondContact O-N 3.36Å; D215-D217 PolarHBondContact O-N 2.95Å; D215-R272 VanDerWaalsContact CG-NH2 3.33Å; D215-R272 IonicContact OD1-NH2 3.47Å; D215-R272 PolarHBondContact OD1-NH2 2.82Å; D215-R272 IonicContact OD2-CZ 3.53Å; D215-R272 IonicContact OD2-NH1 3.75Å; D215-R272 PolarHBondContact OD2-NH1 2.95Å; D215-R272 IonicContact OD2-NH2 2.93Å; D215-R272 PolarHBondContact OD2-NH2 2.67Å |
| 216 | W | 91.5 | Very high | 88 | Confident | 36 Ų | 36 | 79.3 Ų | 79.3 | 14% | 0.136 | 38% | 0.381 | C | S | . | . | trans | -80.7 | 112.2 | 179.8 | -163.3 | -61.5 | 0 | 0 | 0 | 111.9 | N176 K212 P213 S214 D218 R272 G273 W275 | N176-W216 HydrophobicContact CB-CH2 3.8Å; N176-W216 WeakPolarHBondContact ND2-CH2 2.98Å; N176-W216 WeakPolarHBondContact ND2-CZ2 3.2Å; K212-W216 WeakPolarHBondContact CE-O 3.32Å; K212-W216 HydrophobicContact CG-CB 4.06Å; K212-W216 PolarHBondContact NZ-O 2.81Å; K212-W216 VanDerWaalsContact NZ-O 3.14Å; P213-W216 HydrophobicContact CB-CB 4.24Å; P213-W216 HydrophobicContact CG-CE3 4.29Å; P213-W216 VanDerWaalsContact O-CB 3.32Å; P213-W216 WeakPolarHBondContact O-CB 3.06Å; P213-W216 PolarHBondContact O-N 3Å; S214-W216 VanDerWaalsContact C-N 3.3Å; W216-D218 PolarHBondContact NE1-OD1 2.81Å; W216-R272 HydrophobicContact CD2-CG 4.34Å; W216-R272 VanDerWaalsContact CE3-NH2 3.35Å; W216-R272 HydrophobicContact CH2-CG 3.88Å; W216-R272 HydrophobicContact CZ2-CG 3.69Å; W216-R272 HydrophobicContact CZ3-CG 4.31Å; W216-G273 VanDerWaalsContact CZ2-O 3.29Å; W216-G273 WeakPolarHBondContact CZ2-O 3.1Å; W216-G273 PolarHBondContact NE1-O 2.81Å; W216-W275 HydrophobicContact CD2-CB 4.03Å; W216-W275 AromaticContact CD2-CD1 3.72Å; W216-W275 HydrophobicContact CD2-CG 4.28Å; W216-W275 AromaticContact CE3-CD1 3.85Å; W216-W275 HydrophobicContact CG-CB 3.92Å; W216-W275 HydrophobicContact CG-CG 4.33Å | ||
| 217 | D | 89.9 | Confident | 87.2 | Confident | 24 Ų | 24 | 78.1 Ų | 78.1 | 13% | 0.128 | 38% | 0.381 | C | S | . | . | trans | -101.8 | 115.9 | 178.5 | -162.2 | -11.1 | 0 | 0 | 0 | 112.2 | D215 R219 N268 | D215-D217 PolarHBondContact O-N 2.95Å; D217-R219 VanDerWaalsContact CG-NE 3.28Å; D217-R219 VanDerWaalsContact OD1-CB 3.23Å; D217-R219 WeakPolarHBondContact OD1-CB 3.43Å; D217-R219 VanDerWaalsContact OD1-CG 3.27Å; D217-R219 WeakPolarHBondContact OD1-CG 3.12Å; D217-R219 IonicContact OD1-CZ 3.65Å; D217-R219 PolarHBondContact OD1-N 2.92Å; D217-R219 IonicContact OD1-NE 3.87Å; D217-R219 PolarHBondContact OD1-NE 2.78Å; D217-R219 IonicContact OD1-NH2 2.7Å; D217-R219 IonicContact OD2-CZ 2.77Å; D217-R219 VanDerWaalsContact OD2-CZ 3.3Å; D217-R219 IonicContact OD2-NE 3.36Å; D217-R219 PolarHBondContact OD2-NE 3.47Å; D217-R219 VanDerWaalsContact OD2-NE 3.11Å; D217-R219 IonicContact OD2-NH2 3.69Å; D217-R219 PolarHBondContact OD2-NH2 2.82Å; D217-N268 WeakPolarHBondContact CB-ND2 3.39Å; D217-N268 PolarHBondContact OD2-ND2 3.43Å | ||
| 218 | D | 86.3 | Confident | 86.2 | Confident | 27 Ų | 27 | 82.4 Ų | 82.4 | 14% | 0.144 | 41% | 0.41 | C | S | . | . | trans | -90.2 | -1.7 | 178.2 | -67.9 | -29.7 | 0 | 0 | 0 | 112.6 | K212 W216 W275 | K212-D218 WeakPolarHBondContact CE-OD2 3.35Å; K212-D218 VanDerWaalsContact NZ-CG 3.25Å; K212-D218 IonicContact NZ-OD1 2.77Å; K212-D218 IonicContact NZ-OD2 3.81Å; K212-D218 PolarHBondContact NZ-OD2 3.1Å; W216-D218 PolarHBondContact NE1-OD1 2.81Å; D218-W275 PolarHBondContact OD1-N 2.82Å | ||
| 219 | R | 84.8 | Confident | 85 | Confident | 84 Ų | 84 | 80 Ų | 80 | 32% | 0.317 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -76.1 | 125.7 | 180 | -61.2 | 169.6 | -72 | -177 | 8.4 | 109.1 | D217 L222 D239 K241 N268 | D217-R219 VanDerWaalsContact CG-NE 3.28Å; D217-R219 VanDerWaalsContact OD1-CB 3.23Å; D217-R219 WeakPolarHBondContact OD1-CB 3.43Å; D217-R219 VanDerWaalsContact OD1-CG 3.27Å; D217-R219 WeakPolarHBondContact OD1-CG 3.12Å; D217-R219 IonicContact OD1-CZ 3.65Å; D217-R219 PolarHBondContact OD1-N 2.92Å; D217-R219 IonicContact OD1-NE 3.87Å; D217-R219 PolarHBondContact OD1-NE 2.78Å; D217-R219 IonicContact OD1-NH2 2.7Å; D217-R219 IonicContact OD2-CZ 2.77Å; D217-R219 VanDerWaalsContact OD2-CZ 3.3Å; D217-R219 IonicContact OD2-NE 3.36Å; D217-R219 PolarHBondContact OD2-NE 3.47Å; D217-R219 VanDerWaalsContact OD2-NE 3.11Å; D217-R219 IonicContact OD2-NH2 3.69Å; D217-R219 PolarHBondContact OD2-NH2 2.82Å; R219-L222 HydrophobicContact CB-CD2 3.84Å; R219-L222 HydrophobicContact CG-CD2 4.42Å; R219-L222 VanDerWaalsContact CZ-CD2 3.48Å; R219-D239 HydrophobicContact CB-CB 4.42Å; R219-D239 VanDerWaalsContact CD-CG 3.48Å; R219-D239 VanDerWaalsContact CD-OD2 3.23Å; R219-D239 WeakPolarHBondContact CD-OD2 3.27Å; R219-D239 HydrophobicContact CG-CB 3.83Å; R219-D239 IonicContact CZ-OD2 3.54Å; R219-D239 IonicContact NE-OD2 3.34Å; R219-D239 IonicContact NH1-OD2 3.97Å; R219-D239 PolarHBondContact NH1-OD2 2.89Å; R219-K241 HydrophobicContact CG-CG 4.36Å; R219-N268 WeakPolarHBondContact O-CB 3.47Å; R219-N268 PolarHBondContact O-ND2 3.44Å |
| 220 | I | 81.7 | Confident | 83.4 | Confident | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -75.2 | -41.1 | 174 | -62.7 | 168.2 | 0 | 0 | 0 | 109.7 | I240 F242 M245 N268 Y271 | I220-I240 PolarHBondContact N-O 2.89Å; I220-F242 HydrophobicContact CD1-CB 4.26Å; I220-F242 HydrophobicContact CD1-CD2 3.71Å; I220-F242 HydrophobicContact CD1-CE2 4.43Å; I220-F242 HydrophobicContact CD1-CG 4.35Å; I220-F242 HydrophobicContact CG1-CD2 4.45Å; I220-M245 HydrophobicContact CB-CE 3.87Å; I220-M245 HydrophobicContact CD1-CE 3.77Å; I220-M245 HydrophobicContact CD1-SD 3.77Å; I220-M245 HydrophobicContact CG1-CE 4.41Å; I220-M245 HydrophobicContact CG2-CE 4.05Å; I220-N268 WeakPolarHBondContact O-CB 3.42Å; I220-N268 PolarHBondContact O-N 3.15Å; I220-Y271 HydrophobicContact CG1-CE2 4.2Å |
| 221 | F | 83.6 | Confident | 81.3 | Confident | 3 Ų | 3 | 81.9 Ų | 81.9 | 1% | 0.013 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142.7 | 177.1 | -58.9 | -63.3 | 0 | 0 | 0 | 110.5 | I240 M245 G259 A261 Y265 I266 R267 | F221-I240 HydrophobicContact CB-CB 4.45Å; F221-M245 HydrophobicContact CD2-CE 3.22Å; F221-M245 HydrophobicContact CE2-CE 3.24Å; F221-M245 HydrophobicContact CE2-SD 4.39Å; F221-M245 HydrophobicContact CG-CE 4.43Å; F221-M245 HydrophobicContact CZ-CE 4.44Å; F221-G259 WeakPolarHBondContact CZ-O 3.07Å; F221-A261 HydrophobicContact CD1-CB 3.51Å; F221-A261 HydrophobicContact CE1-CB 3.58Å; F221-A261 HydrophobicContact CG-CB 4.28Å; F221-A261 HydrophobicContact CZ-CB 4.35Å; F221-Y265 HydrophobicContact CB-CD1 4.44Å; F221-I266 CarbonylContact C-O 3.42Å; F221-I266 WeakPolarHBondContact CA-O 3.29Å; F221-R267 HydrophobicContact CD1-CB 4.13Å; F221-R267 HydrophobicContact CD1-CG 4.41Å; F221-R267 HydrophobicContact CE1-CB 4.12Å; F221-R267 HydrophobicContact CE1-CG 4.22Å |
| 222 | L | 84.1 | Confident | 79.2 | Confident | 39 Ų | 39 | 75.2 Ų | 75.2 | 20% | 0.204 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 147.4 | 174.2 | -58.3 | 176.7 | 0 | 0 | 0 | 108.9 | R219 N224 Y265 I266 N268 | R219-L222 HydrophobicContact CB-CD2 3.84Å; R219-L222 HydrophobicContact CG-CD2 4.42Å; R219-L222 VanDerWaalsContact CZ-CD2 3.48Å; L222-N224 PolarHBondContact O-N 2.93Å; L222-Y265 CarbonylContact O-C 3.43Å; L222-Y265 VanDerWaalsContact O-CA 3.3Å; L222-Y265 WeakPolarHBondContact O-CA 3.47Å; L222-I266 HydrophobicContact CB-CG1 4.37Å; L222-I266 PolarHBondContact N-O 3.47Å; L222-I266 PolarHBondContact O-N 3.04Å; L222-N268 HydrophobicContact CD1-CB 4.12Å; L222-N268 HydrophobicContact CD2-CB 4.46Å; L222-N268 HydrophobicContact CG-CB 3.91Å |
| 223 | R | 82.1 | Confident | 77.1 | Confident | 46 Ų | 46 | 77.9 Ų | 77.9 | 17% | 0.174 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 128.5 | 172.3 | -176.3 | 67.3 | -168.9 | -80.6 | -7.1 | 110.6 | K225 D239 G264 Y265 | R223-K225 PolarHBondContact O-N 3.35Å; R223-D239 PolarHBondContact N-OD1 3.09Å; R223-G264 WeakPolarHBondContact CD-O 3.47Å; R223-G264 PolarHBondContact NE-O 2.77Å; R223-Y265 HydrophobicContact CB-CD1 4.44Å; R223-Y265 HydrophobicContact CB-CE1 4.29Å |
| 224 | N | 84.1 | Confident | 74.7 | Confident | 46 Ų | 46 | 80.6 Ų | 80.6 | 25% | 0.246 | 46% | 0.456 | C | S | . | . | trans | -76.1 | 104.1 | 170.8 | -173.6 | -6.3 | 0 | 0 | 0 | 109.1 | L222 S226 A227 G264 I266 | L222-N224 PolarHBondContact O-N 2.93Å; N224-S226 PolarHBondContact O-N 3.33Å; N224-S226 VanDerWaalsContact O-N 3.12Å; N224-S226 WeakPolarHBondContact OD1-CB 3.25Å; N224-S226 PolarHBondContact OD1-N 2.69Å; N224-A227 HydrophobicContact CB-CB 3.99Å; N224-A227 WeakPolarHBondContact O-CB 3.25Å; N224-A227 PolarHBondContact O-N 2.74Å; N224-G264 WeakPolarHBondContact CA-O 3.35Å; N224-G264 VanDerWaalsContact CB-O 3.24Å; N224-G264 WeakPolarHBondContact CB-O 3.12Å; N224-G264 PolarHBondContact N-O 2.98Å; N224-I266 HydrophobicContact CB-CG1 4.44Å; N224-I266 HydrophobicContact CB-CG2 3.97Å | ||
| 225 | K | 81.7 | Confident | 72.6 | Confident | 202 Ų | 202 | 80.4 Ų | 80.4 | 88% | 0.878 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.9 | 179.7 | -63.5 | -174.8 | 178.5 | -176.3 | 0 | 113.9 | R223 | R223-K225 PolarHBondContact O-N 3.35Š|
| 226 | S | 81.7 | Confident | 70.6 | Confident | 111 Ų | 111 | 79.7 Ų | 79.7 | 78% | 0.776 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -8.8 | 177.9 | -48.2 | 0 | 0 | 0 | 0 | 113 | N224 | N224-S226 PolarHBondContact O-N 3.33Å; N224-S226 VanDerWaalsContact O-N 3.12Å; N224-S226 WeakPolarHBondContact OD1-CB 3.25Å; N224-S226 PolarHBondContact OD1-N 2.69Å |
| 227 | A | 74 | Confident | 68.8 | Low | 20 Ų | 20 | 85.8 Ų | 85.8 | 17% | 0.165 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -80.5 | 137.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | N224 L229 | N224-A227 HydrophobicContact CB-CB 3.99Å; N224-A227 WeakPolarHBondContact O-CB 3.25Å; N224-A227 PolarHBondContact O-N 2.74Å; A227-L229 PolarHBondContact O-N 3.26Å |
| 228 | P | 69 | Low | 67.3 | Low | 116 Ų | 116 | 91.5 Ų | 91.5 | 75% | 0.753 | 49% | 0.491 | S | S | * | . | trans | -52.6 | 136.6 | 174.3 | -21.8 | 30.7 | 0 | 0 | 0 | 110.7 | D230 | P228-D230 PolarHBondContact O-N 3.28Å; P228-D230 VanDerWaalsContact O-N 3.15Å | ||
| 229 | L | 64.5 | Low | 66.4 | Low | 124 Ų | 124 | 92 Ų | 92 | 65% | 0.649 | 49% | 0.494 | S | S | * | . | trans | -66.1 | 109.9 | 163.6 | -73.5 | 155.8 | 0 | 0 | 0 | 106.1 | A227 | A227-L229 PolarHBondContact O-N 3.26Š| ||
| 230 | D | 56.6 | Low | 65.6 | Low | 91 Ų | 91 | 89.2 Ų | 89.2 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | trans | -60 | 140.8 | -179.5 | -171.2 | 20.4 | 0 | 0 | 0 | 110.9 | P228 G232 | P228-D230 PolarHBondContact O-N 3.28Å; P228-D230 VanDerWaalsContact O-N 3.15Å; D230-G232 VanDerWaalsContact C-N 3.32Å; D230-G232 PolarHBondContact O-N 2.81Å | ||
| 231 | N | 46 | Very low | 65.1 | Low | 163 Ų | 163 | 94.8 Ų | 94.8 | 87% | 0.872 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 72.9 | -162.3 | -64.5 | -22.3 | 0 | 0 | 0 | 113.3 | ||
| 232 | G | 48.8 | Very low | 64.4 | Low | 77 Ų | 77 | 95.3 Ų | 95.3 | 79% | 0.794 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.2 | -2.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | D230 S234 | D230-G232 VanDerWaalsContact C-N 3.32Å; D230-G232 PolarHBondContact O-N 2.81Å; G232-S234 PolarHBondContact O-N 2.85Å |
| 233 | K | 49.2 | Very low | 63.7 | Low | 139 Ų | 139 | 96.5 Ų | 96.5 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | trans | -91.2 | 96.9 | 162.2 | -71.5 | -176.8 | -177.1 | 174.4 | 0 | 108.1 | Y235 | K233-Y235 HydrophobicContact CB-CD2 4.1Å; K233-Y235 HydrophobicContact CB-CE2 3.92Å; K233-Y235 HydrophobicContact CD-CE2 4.25Å; K233-Y235 PolarHBondContact O-N 3.04Å | ||
| 234 | S | 44.2 | Very low | 62.9 | Low | 107 Ų | 107 | 98.2 Ų | 98.2 | 75% | 0.748 | 53% | 0.531 | S | S | * | . | trans | -62.3 | 80.5 | 161 | 165 | 0 | 0 | 0 | 0 | 108 | G232 V236 | G232-S234 PolarHBondContact O-N 2.85Å; S234-V236 VanDerWaalsContact C-N 3.28Å; S234-V236 PolarHBondContact O-N 2.8Å | ||
| 235 | Y | 47.9 | Very low | 61.9 | Low | 130 Ų | 130 | 97.6 Ų | 97.6 | 51% | 0.51 | 53% | 0.527 | S | S | . | . | trans | -60 | 108.2 | 149.5 | -72.1 | -86.2 | 0 | 0 | 0 | 103.7 | K233 E237 | K233-Y235 HydrophobicContact CB-CD2 4.1Å; K233-Y235 HydrophobicContact CB-CE2 3.92Å; K233-Y235 HydrophobicContact CD-CE2 4.25Å; K233-Y235 PolarHBondContact O-N 3.04Å; Y235-E237 PolarHBondContact O-N 3.2Å | ||
| 236 | V | 51.2 | Low | 60.9 | Low | 86 Ų | 86 | 93 Ų | 93 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | trans | -43.5 | 136.1 | 174.4 | -164.7 | 0 | 0 | 0 | 0 | 106.2 | S234 E238 | S234-V236 VanDerWaalsContact C-N 3.28Å; S234-V236 PolarHBondContact O-N 2.8Å; V236-E238 HydrophobicContact CB-CB 4.35Å; V236-E238 HydrophobicContact CB-CG 4.31Å; V236-E238 HydrophobicContact CG1-CB 4.27Å; V236-E238 HydrophobicContact CG1-CG 3.7Å; V236-E238 PolarHBondContact O-N 2.89Å | ||
| 237 | E | 52.4 | Low | 59.5 | Low | 164 Ų | 164 | 93.5 Ų | 93.5 | 77% | 0.766 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -62.8 | 25.1 | 177.6 | -121.7 | 178.4 | -167.7 | 0 | 0 | 112.8 | Y235 | Y235-E237 PolarHBondContact O-N 3.2Š|
| 238 | E | 60.2 | Low | 58.2 | Low | 144 Ų | 144 | 94.6 Ų | 94.6 | 67% | 0.673 | 51% | 0.505 | S | S | * | . | trans | -86.9 | 110.6 | 176.5 | -75.4 | 179 | -173.6 | 0 | 0 | 108.3 | V236 | V236-E238 HydrophobicContact CB-CB 4.35Å; V236-E238 HydrophobicContact CB-CG 4.31Å; V236-E238 HydrophobicContact CG1-CB 4.27Å; V236-E238 HydrophobicContact CG1-CG 3.7Å; V236-E238 PolarHBondContact O-N 2.89Å | ||
| 239 | D | 67.4 | Low | 56.8 | Low | 39 Ų | 39 | 99.3 Ų | 99.3 | 21% | 0.209 | 51% | 0.514 | C | S | . | . | trans | -53.6 | 147.5 | 168.7 | -61.8 | -62.8 | 0 | 0 | 0 | 111.6 | R219 R223 K241 | R219-D239 HydrophobicContact CB-CB 4.42Å; R219-D239 VanDerWaalsContact CD-CG 3.48Å; R219-D239 VanDerWaalsContact CD-OD2 3.23Å; R219-D239 WeakPolarHBondContact CD-OD2 3.27Å; R219-D239 HydrophobicContact CG-CB 3.83Å; R219-D239 IonicContact CZ-OD2 3.54Å; R219-D239 IonicContact NE-OD2 3.34Å; R219-D239 IonicContact NH1-OD2 3.97Å; R219-D239 PolarHBondContact NH1-OD2 2.89Å; R223-D239 PolarHBondContact N-OD1 3.09Å; D239-K241 PolarHBondContact O-N 2.89Å; D239-K241 VanDerWaalsContact O-N 3.15Å | ||
| 240 | I | 68.1 | Low | 55.6 | Low | 25 Ų | 25 | 100.5 Ų | 100.5 | 13% | 0.128 | 52% | 0.516 | C | S | . | . | trans | -78.4 | 108.2 | -175.5 | -54 | 177 | 0 | 0 | 0 | 109.3 | I220 F221 M245 P262 Y265 | I220-I240 PolarHBondContact N-O 2.89Å; F221-I240 HydrophobicContact CB-CB 4.45Å; I240-M245 HydrophobicContact CG2-CE 3.59Å; I240-M245 HydrophobicContact CG2-CG 4.03Å; I240-P262 HydrophobicContact CD1-CB 4.17Å; I240-P262 HydrophobicContact CD1-CG 3.55Å; I240-Y265 HydrophobicContact CD1-CD1 4.06Å; I240-Y265 HydrophobicContact CD1-CD2 4.19Å; I240-Y265 HydrophobicContact CD1-CE1 4.04Å; I240-Y265 HydrophobicContact CD1-CE2 4.16Å; I240-Y265 HydrophobicContact CD1-CG 4.15Å; I240-Y265 HydrophobicContact CG1-CD1 4.14Å; I240-Y265 HydrophobicContact CG1-CE1 3.83Å | ||
| 241 | K | 70.2 | Confident | 54.6 | Low | 119 Ų | 119 | 107.6 Ų | 107.6 | 52% | 0.517 | 54% | 0.536 | S | S | . | . | B | Isolated β-bridge | trans | -82.6 | 157.8 | 174.2 | -64.6 | 178.2 | -175.7 | 170 | 0 | 111 | R219 D239 E243 T244 | R219-K241 HydrophobicContact CG-CG 4.36Å; D239-K241 PolarHBondContact O-N 2.89Å; D239-K241 VanDerWaalsContact O-N 3.15Å; K241-E243 VanDerWaalsContact C-N 3.26Å; K241-E243 PolarHBondContact O-N 3.19Å; K241-T244 PolarHBondContact O-N 3.26Å; K241-T244 PolarHBondContact O-OG1 3.04Å |
| 242 | F | 68.4 | Low | 54.3 | Low | 14 Ų | 14 | 105.5 Ų | 105.5 | 6% | 0.061 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -52 | -44.7 | 175.9 | -174.2 | -77.3 | 0 | 0 | 0 | 112.7 | V187 A190 I220 T244 M245 Y246 | V187-F242 HydrophobicContact CB-CE2 4.05Å; V187-F242 HydrophobicContact CB-CZ 4.1Å; V187-F242 HydrophobicContact CG1-CE2 3.6Å; V187-F242 HydrophobicContact CG1-CZ 3.41Å; V187-F242 VanDerWaalsContact CG1-CZ 3.41Å; V187-F242 HydrophobicContact CG2-CE2 3.9Å; V187-F242 HydrophobicContact CG2-CZ 4.45Å; A190-F242 HydrophobicContact CB-CE1 3.98Å; A190-F242 HydrophobicContact CB-CE2 3.61Å; A190-F242 HydrophobicContact CB-CZ 3.19Å; I220-F242 HydrophobicContact CD1-CB 4.26Å; I220-F242 HydrophobicContact CD1-CD2 3.71Å; I220-F242 HydrophobicContact CD1-CE2 4.43Å; I220-F242 HydrophobicContact CD1-CG 4.35Å; I220-F242 HydrophobicContact CG1-CD2 4.45Å; F242-T244 VanDerWaalsContact C-N 3.27Å; F242-T244 PolarHBondContact O-N 3.45Å; F242-M245 PolarHBondContact O-N 3.4Å; F242-M245 VanDerWaalsContact O-N 3.16Å; F242-Y246 PolarHBondContact O-N 3.45Å |
| 243 | E | 69.1 | Low | 53.7 | Low | 64 Ų | 64 | 106.8 Ų | 106.8 | 30% | 0.299 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -31.2 | -175.1 | -70 | 80 | 178.9 | 0 | 0 | 113.4 | K241 N247 R274 | K241-E243 VanDerWaalsContact C-N 3.26Å; K241-E243 PolarHBondContact O-N 3.19Å; E243-N247 WeakPolarHBondContact O-CB 3.37Å; E243-N247 PolarHBondContact O-N 3.35Å; E243-N247 VanDerWaalsContact O-N 3.15Å; E243-R274 IonicContact OE1-CZ 3.66Å; E243-R274 IonicContact OE1-NE 3.95Å; E243-R274 PolarHBondContact OE1-NE 3.05Å; E243-R274 IonicContact OE1-NH2 3.57Å; E243-R274 PolarHBondContact OE1-NH2 2.96Å |
| 244 | T | 65.6 | Low | 53.2 | Low | 81 Ų | 81 | 109.9 Ų | 109.9 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.7 | -29.2 | 179.6 | 58.5 | 0 | 0 | 0 | 0 | 111.8 | K241 F242 S248 | K241-T244 PolarHBondContact O-N 3.26Å; K241-T244 PolarHBondContact O-OG1 3.04Å; F242-T244 VanDerWaalsContact C-N 3.27Å; F242-T244 PolarHBondContact O-N 3.45Å; T244-S248 WeakPolarHBondContact O-CB 3.48Å |
| 245 | M | 64.1 | Low | 52.8 | Low | 33 Ų | 33 | 110 Ų | 110 | 16% | 0.163 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -72.8 | -33.2 | 174.6 | -66.7 | -169.3 | -161.3 | 0 | 0 | 113.4 | I220 F221 I240 F242 | I220-M245 HydrophobicContact CB-CE 3.87Å; I220-M245 HydrophobicContact CD1-CE 3.77Å; I220-M245 HydrophobicContact CD1-SD 3.77Å; I220-M245 HydrophobicContact CG1-CE 4.41Å; I220-M245 HydrophobicContact CG2-CE 4.05Å; F221-M245 HydrophobicContact CD2-CE 3.22Å; F221-M245 HydrophobicContact CE2-CE 3.24Å; F221-M245 HydrophobicContact CE2-SD 4.39Å; F221-M245 HydrophobicContact CG-CE 4.43Å; F221-M245 HydrophobicContact CZ-CE 4.44Å; I240-M245 HydrophobicContact CG2-CE 3.59Å; I240-M245 HydrophobicContact CG2-CG 4.03Å; F242-M245 PolarHBondContact O-N 3.4Å; F242-M245 VanDerWaalsContact O-N 3.16Å |
| 246 | Y | 59.5 | Low | 52.7 | Low | 107 Ų | 107 | 109.6 Ų | 109.6 | 42% | 0.42 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -83.3 | -37 | -177.4 | -172.2 | -91.1 | 0 | 0 | 0 | 112.6 | K156 F242 | K156-Y246 PolarHBondContact NZ-OH 3.45Å; K156-Y246 VanDerWaalsContact NZ-OH 3.14Å; F242-Y246 PolarHBondContact O-N 3.45Å |
| 247 | N | 52.5 | Low | 52.5 | Low | 120 Ų | 120 | 107 Ų | 107 | 64% | 0.642 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -93.7 | 0.3 | -173.4 | -80.1 | -22.8 | 0 | 0 | 0 | 114.9 | E243 K249 | E243-N247 WeakPolarHBondContact O-CB 3.37Å; E243-N247 PolarHBondContact O-N 3.35Å; E243-N247 VanDerWaalsContact O-N 3.15Å; N247-K249 PolarHBondContact O-N 3.34Å |
| 248 | S | 46.5 | Very low | 52.5 | Low | 43 Ų | 43 | 101.3 Ų | 101.3 | 30% | 0.301 | 48% | 0.479 | S | S | . | . | trans | -70.4 | 99.8 | -175.6 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | T244 H250 | T244-S248 WeakPolarHBondContact O-CB 3.48Å; S248-H250 PolarHBondContact O-N 3.41Å | ||
| 249 | K | 40 | Very low | 52.3 | Low | 215 Ų | 215 | 94.5 Ų | 94.5 | 94% | 0.935 | 45% | 0.448 | S | S | * | . | trans | -53.6 | -3.4 | 146.7 | -107.9 | -178 | 178.5 | 179.3 | 0 | 112.9 | N247 | N247-K249 PolarHBondContact O-N 3.34Š| ||
| 250 | H | 39.5 | Very low | 52.3 | Low | 149 Ų | 149 | 100.8 Ų | 100.8 | 69% | 0.69 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -79.8 | 122.4 | 174.8 | -61.4 | -76.6 | 0 | 0 | 0 | 109.6 | S248 Y252 | S248-H250 PolarHBondContact O-N 3.41Å; H250-Y252 PolarHBondContact O-N 2.7Å |
| 251 | R | 35.8 | Very low | 52.6 | Low | 241 Ų | 241 | 100.5 Ų | 100.5 | 91% | 0.909 | 47% | 0.47 | S | S | * | . | trans | -49.9 | 75.1 | 162.8 | -63.5 | 172.9 | -179.3 | 144.2 | -3.1 | 110.8 | D253 | R251-D253 PolarHBondContact O-N 2.99Š| ||
| 252 | Y | 39.5 | Very low | 52.8 | Low | 118 Ų | 118 | 96.8 Ų | 96.8 | 46% | 0.463 | 46% | 0.458 | S | S | . | . | trans | -73.3 | 103.7 | 141.3 | -75.8 | -81 | 0 | 0 | 0 | 103.1 | H250 E254 | H250-Y252 PolarHBondContact O-N 2.7Å; Y252-E254 PolarHBondContact O-N 3.16Å | ||
| 253 | D | 36.3 | Very low | 53.1 | Low | 105 Ų | 105 | 104.9 Ų | 104.9 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | trans | -46.1 | 138.1 | -179.4 | -149.9 | 19.2 | 0 | 0 | 0 | 107.5 | R251 T255 E256 | R251-D253 PolarHBondContact O-N 2.99Å; D253-T255 VanDerWaalsContact CB-OG1 3.26Å; D253-T255 WeakPolarHBondContact CB-OG1 3.46Å; D253-T255 VanDerWaalsContact CG-OG1 3.32Å; D253-T255 PolarHBondContact O-N 3.37Å; D253-T255 PolarHBondContact OD2-OG1 2.66Å; D253-T255 VanDerWaalsContact OD2-OG1 3.07Å; D253-E256 PolarHBondContact O-N 2.93Å | ||
| 254 | E | 38.8 | Very low | 53.5 | Low | 204 Ų | 204 | 102.7 Ų | 102.7 | 95% | 0.953 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -9.3 | 179.9 | -72.9 | 176.1 | 163.2 | 0 | 0 | 112.7 | Y252 | Y252-E254 PolarHBondContact O-N 3.16Š|
| 255 | T | 36.5 | Very low | 54.3 | Low | 110 Ų | 110 | 100 Ų | 100 | 68% | 0.675 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -19.7 | 174.2 | 58.2 | 0 | 0 | 0 | 0 | 114.4 | D253 | D253-T255 VanDerWaalsContact CB-OG1 3.26Å; D253-T255 WeakPolarHBondContact CB-OG1 3.46Å; D253-T255 VanDerWaalsContact CG-OG1 3.32Å; D253-T255 PolarHBondContact O-N 3.37Å; D253-T255 PolarHBondContact OD2-OG1 2.66Å; D253-T255 VanDerWaalsContact OD2-OG1 3.07Å |
| 256 | E | 44.6 | Very low | 55.3 | Low | 120 Ų | 120 | 102.3 Ų | 102.3 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -99.7 | 117.1 | 178.2 | -81.9 | -171.9 | 164.2 | 0 | 0 | 111.5 | D253 V258 | D253-E256 PolarHBondContact O-N 2.93Å; E256-V258 WeakPolarHBondContact O-CG2 3.48Å; E256-V258 PolarHBondContact O-N 3.36Å |
| 257 | F | 47.5 | Very low | 56.4 | Low | 33 Ų | 33 | 98.9 Ų | 98.9 | 15% | 0.145 | 47% | 0.47 | C | S | . | . | trans | -61.5 | 99.3 | 175.5 | 173.7 | -117.1 | 0 | 0 | 0 | 112.1 | D184 N185 G259 R260 D329 E330 F333 M334 | D184-F257 WeakPolarHBondContact O-CD2 3.48Å; D184-F257 WeakPolarHBondContact O-CE2 3.35Å; N185-F257 HydrophobicContact CB-CE2 3.7Å; N185-F257 HydrophobicContact CB-CZ 3.57Å; F257-G259 PolarHBondContact O-N 3.34Å; F257-R260 HydrophobicContact CD1-CB 3.21Å; F257-R260 HydrophobicContact CD1-CG 4.49Å; F257-R260 HydrophobicContact CE1-CB 3.54Å; F257-R260 HydrophobicContact CG-CB 4.37Å; F257-R260 PolarHBondContact O-N 2.93Å; F257-R260 VanDerWaalsContact O-N 3.09Å; F257-D329 HydrophobicContact CZ-CB 4.46Å; F257-E330 HydrophobicContact CE1-CG 4.19Å; F257-F333 HydrophobicContact CE2-CD1 4.43Å; F257-M334 HydrophobicContact CB-CE 3.18Å; F257-M334 HydrophobicContact CB-CG 4.29Å; F257-M334 HydrophobicContact CB-SD 3.55Å; F257-M334 VanDerWaalsContact CB-SD 3.55Å; F257-M334 HydrophobicContact CD1-CE 4.09Å; F257-M334 HydrophobicContact CD1-CG 3.44Å; F257-M334 VanDerWaalsContact CD1-CG 3.44Å; F257-M334 HydrophobicContact CD1-SD 3.78Å; F257-M334 HydrophobicContact CD2-CE 3.93Å; F257-M334 HydrophobicContact CD2-CG 3.62Å; F257-M334 HydrophobicContact CD2-SD 2.98Å; F257-M334 WeakPolarHBondContact CD2-SD 3.24Å; F257-M334 HydrophobicContact CE1-CG 3.39Å; F257-M334 HydrophobicContact CE1-SD 4.15Å; F257-M334 HydrophobicContact CE2-CG 3.46Å; F257-M334 VanDerWaalsContact CE2-CG 3.46Å; F257-M334 HydrophobicContact CE2-SD 3.32Å; F257-M334 WeakPolarHBondContact CE2-SD 3.33Å; F257-M334 HydrophobicContact CG-CE 3.55Å; F257-M334 HydrophobicContact CG-CG 3.58Å; F257-M334 HydrophobicContact CG-SD 3.2Å; F257-M334 WeakPolarHBondContact CG-SD 3.12Å; F257-M334 HydrophobicContact CZ-CG 3.36Å; F257-M334 HydrophobicContact CZ-SD 3.92Å | ||
| 258 | V | 51.9 | Low | 58.1 | Low | 43 Ų | 43 | 93.4 Ų | 93.4 | 26% | 0.261 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.6 | 178.9 | -165.6 | 0 | 0 | 0 | 0 | 112.1 | R186 E256 | R186-V258 HydrophobicContact CB-CB 4.28Å; R186-V258 HydrophobicContact CG-CB 3.95Å; R186-V258 HydrophobicContact CG-CG1 4.22Å; R186-V258 HydrophobicContact CG-CG2 4.43Å; E256-V258 WeakPolarHBondContact O-CG2 3.48Å; E256-V258 PolarHBondContact O-N 3.36Å |
| 259 | G | 56.3 | Low | 60.1 | Low | 1 Ų | 1 | 101.1 Ų | 101.1 | 1% | 0.01 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -24.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N185 F221 F257 R267 | N185-G259 PolarHBondContact ND2-O 3.06Å; N185-G259 WeakPolarHBondContact O-CA 3.5Å; F221-G259 WeakPolarHBondContact CZ-O 3.07Å; F257-G259 PolarHBondContact O-N 3.34Å; G259-R267 PolarHBondContact O-NH2 3.02Å |
| 260 | R | 68.2 | Low | 62.4 | Low | 171 Ų | 171 | 96.9 Ų | 96.9 | 65% | 0.645 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -82.4 | 145.6 | 177.8 | 174.4 | 176.2 | -168.8 | -178.8 | 5.4 | 109.7 | F257 P262 | F257-R260 HydrophobicContact CD1-CB 3.21Å; F257-R260 HydrophobicContact CD1-CG 4.49Å; F257-R260 HydrophobicContact CE1-CB 3.54Å; F257-R260 HydrophobicContact CG-CB 4.37Å; F257-R260 PolarHBondContact O-N 2.93Å; F257-R260 VanDerWaalsContact O-N 3.09Å; R260-P262 VanDerWaalsContact O-CD 3.31Å; R260-P262 WeakPolarHBondContact O-CD 3.47Å; R260-P262 VanDerWaalsContact O-N 3.17Å |
| 261 | A | 73.6 | Confident | 64.7 | Low | 19 Ų | 19 | 90.4 Ų | 90.4 | 16% | 0.157 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 123.9 | 171 | 0 | 0 | 0 | 0 | 0 | 109.3 | F221 Y265 | F221-A261 HydrophobicContact CD1-CB 3.51Å; F221-A261 HydrophobicContact CE1-CB 3.58Å; F221-A261 HydrophobicContact CG-CB 4.28Å; F221-A261 HydrophobicContact CZ-CB 4.35Å; A261-Y265 WeakPolarHBondContact CB-O 3.27Å |
| 262 | P | 74 | Confident | 67.1 | Low | 41 Ų | 41 | 83.3 Ų | 83.3 | 27% | 0.266 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 158.2 | 176.6 | -29.6 | 39.7 | 0 | 0 | 0 | 111.2 | I240 R260 G264 Y265 | I240-P262 HydrophobicContact CD1-CB 4.17Å; I240-P262 HydrophobicContact CD1-CG 3.55Å; R260-P262 VanDerWaalsContact O-CD 3.31Å; R260-P262 WeakPolarHBondContact O-CD 3.47Å; R260-P262 VanDerWaalsContact O-N 3.17Å; P262-G264 PolarHBondContact O-N 3.19Å; P262-Y265 HydrophobicContact CB-CD2 3.9Å; P262-Y265 HydrophobicContact CB-CE2 4.49Å; P262-Y265 WeakPolarHBondContact O-CB 3.25Å; P262-Y265 PolarHBondContact O-N 3.47Å |
| 263 | Q | 75 | Confident | 69.3 | Low | 184 Ų | 184 | 77.7 Ų | 77.7 | 86% | 0.86 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 128 | -179.4 | -174.9 | 175.8 | -3.9 | 0 | 0 | 110.8 | Y265 | Q263-Y265 WeakPolarHBondContact O-CD2 3.47Š|
| 264 | G | 77.7 | Confident | 71.8 | Confident | 18 Ų | 18 | 76.9 Ų | 76.9 | 19% | 0.186 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 9.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R223 N224 P262 | R223-G264 WeakPolarHBondContact CD-O 3.47Å; R223-G264 PolarHBondContact NE-O 2.77Å; N224-G264 WeakPolarHBondContact CA-O 3.35Å; N224-G264 VanDerWaalsContact CB-O 3.24Å; N224-G264 WeakPolarHBondContact CB-O 3.12Å; N224-G264 PolarHBondContact N-O 2.98Å; P262-G264 PolarHBondContact O-N 3.19Å |
| 265 | Y | 82.5 | Confident | 74.2 | Confident | 25 Ų | 25 | 69.7 Ų | 69.7 | 10% | 0.098 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 160 | 172.6 | -64.7 | -97.9 | 0 | 0 | 0 | 111.5 | F221 L222 R223 I240 A261 P262 Q263 | F221-Y265 HydrophobicContact CB-CD1 4.44Å; L222-Y265 CarbonylContact O-C 3.43Å; L222-Y265 VanDerWaalsContact O-CA 3.3Å; L222-Y265 WeakPolarHBondContact O-CA 3.47Å; R223-Y265 HydrophobicContact CB-CD1 4.44Å; R223-Y265 HydrophobicContact CB-CE1 4.29Å; I240-Y265 HydrophobicContact CD1-CD1 4.06Å; I240-Y265 HydrophobicContact CD1-CD2 4.19Å; I240-Y265 HydrophobicContact CD1-CE1 4.04Å; I240-Y265 HydrophobicContact CD1-CE2 4.16Å; I240-Y265 HydrophobicContact CD1-CG 4.15Å; I240-Y265 HydrophobicContact CG1-CD1 4.14Å; I240-Y265 HydrophobicContact CG1-CE1 3.83Å; A261-Y265 WeakPolarHBondContact CB-O 3.27Å; P262-Y265 HydrophobicContact CB-CD2 3.9Å; P262-Y265 HydrophobicContact CB-CE2 4.49Å; P262-Y265 WeakPolarHBondContact O-CB 3.25Å; P262-Y265 PolarHBondContact O-N 3.47Å; Q263-Y265 WeakPolarHBondContact O-CD2 3.47Å |
| 266 | I | 84.2 | Confident | 76.7 | Confident | 82 Ų | 82 | 66 Ų | 66 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 151.4 | 172.7 | 50.5 | 169.3 | 0 | 0 | 0 | 109.7 | F221 L222 N224 | F221-I266 CarbonylContact C-O 3.42Å; F221-I266 WeakPolarHBondContact CA-O 3.29Å; L222-I266 HydrophobicContact CB-CG1 4.37Å; L222-I266 PolarHBondContact N-O 3.47Å; L222-I266 PolarHBondContact O-N 3.04Å; N224-I266 HydrophobicContact CB-CG1 4.44Å; N224-I266 HydrophobicContact CB-CG2 3.97Å |
| 267 | R | 84 | Confident | 78.9 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 136.6 | 176.6 | -167.4 | 173.1 | -64.5 | -99 | -2 | 112 | N185 F221 G259 R269 F326 E330 | N185-R267 PolarHBondContact ND2-NH2 3Å; F221-R267 HydrophobicContact CD1-CB 4.13Å; F221-R267 HydrophobicContact CD1-CG 4.41Å; F221-R267 HydrophobicContact CE1-CB 4.12Å; F221-R267 HydrophobicContact CE1-CG 4.22Å; G259-R267 PolarHBondContact O-NH2 3.02Å; R267-R269 PolarHBondContact O-N 2.69Å; R267-F326 VanDerWaalsContact CZ-CB 3.46Å; R267-F326 VanDerWaalsContact CZ-CG 3.48Å; R267-E330 IonicContact CZ-OE1 3.1Å; R267-E330 IonicContact NE-OE1 3.99Å; R267-E330 PolarHBondContact NE-OE1 3.4Å; R267-E330 IonicContact NH2-OE1 2.68Å; R267-E330 PolarHBondContact NH2-OE1 2.82Å |
| 268 | N | 87.6 | Confident | 80.8 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | trans | -75.6 | 101.9 | 174.5 | -172.6 | 2.9 | 0 | 0 | 0 | 110.7 | D217 R219 I220 L222 N270 Y271 | D217-N268 WeakPolarHBondContact CB-ND2 3.39Å; D217-N268 PolarHBondContact OD2-ND2 3.43Å; R219-N268 WeakPolarHBondContact O-CB 3.47Å; R219-N268 PolarHBondContact O-ND2 3.44Å; I220-N268 WeakPolarHBondContact O-CB 3.42Å; I220-N268 PolarHBondContact O-N 3.15Å; L222-N268 HydrophobicContact CD1-CB 4.12Å; L222-N268 HydrophobicContact CD2-CB 4.46Å; L222-N268 HydrophobicContact CG-CB 3.91Å; N268-N270 PolarHBondContact O-N 2.95Å; N268-N270 VanDerWaalsContact O-N 3.16Å; N268-N270 WeakPolarHBondContact OD1-CB 3.37Å; N268-N270 PolarHBondContact OD1-N 3.39Å; N268-Y271 VanDerWaalsContact O-CB 3.32Å; N268-Y271 WeakPolarHBondContact O-CB 3.39Å; N268-Y271 PolarHBondContact O-N 2.8Å; N268-Y271 VanDerWaalsContact O-N 3.1Å | ||
| 269 | R | 88.4 | Confident | 82.6 | Confident | 205 Ų | 205 | 63.6 Ų | 63.6 | 77% | 0.774 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.1 | 177.3 | -65.4 | -173.4 | 179.9 | -170.8 | -0.1 | 113.8 | R267 N323 | R267-R269 PolarHBondContact O-N 2.69Å; R269-N323 PolarHBondContact O-ND2 2.89Å |
| 270 | N | 88.3 | Confident | 84.1 | Confident | 126 Ų | 126 | 63.8 Ų | 63.8 | 67% | 0.674 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 1.5 | 179.6 | -61.2 | -35 | 0 | 0 | 0 | 113 | N268 R272 | N268-N270 PolarHBondContact O-N 2.95Å; N268-N270 VanDerWaalsContact O-N 3.16Å; N268-N270 WeakPolarHBondContact OD1-CB 3.37Å; N268-N270 PolarHBondContact OD1-N 3.39Å; N270-R272 PolarHBondContact O-N 2.91Å |
| 271 | Y | 87 | Confident | 85 | Confident | 13 Ų | 13 | 57.7 Ų | 57.7 | 5% | 0.051 | 27% | 0.265 | C | S | . | . | trans | -66.2 | 116.1 | 176.9 | 179.2 | -100.6 | 0 | 0 | 0 | 110.2 | E180 I220 N268 G273 R274 | E180-Y271 WeakPolarHBondContact OE1-CE1 3.48Å; E180-Y271 PolarHBondContact OE1-OH 3.46Å; I220-Y271 HydrophobicContact CG1-CE2 4.2Å; N268-Y271 VanDerWaalsContact O-CB 3.32Å; N268-Y271 WeakPolarHBondContact O-CB 3.39Å; N268-Y271 PolarHBondContact O-N 2.8Å; N268-Y271 VanDerWaalsContact O-N 3.1Å; Y271-G273 VanDerWaalsContact CZ-CA 3.5Å; Y271-R274 PolarHBondContact OH-N 2.89Å | ||
| 272 | R | 86.8 | Confident | 85.4 | Confident | 92 Ų | 92 | 61.8 Ų | 61.8 | 35% | 0.347 | 28% | 0.28 | S | S | . | . | trans | -118.4 | 33.7 | -175.8 | 57.7 | -177.1 | -178.1 | -149 | -1.5 | 112.1 | D215 W216 N270 | D215-R272 VanDerWaalsContact CG-NH2 3.33Å; D215-R272 IonicContact OD1-NH2 3.47Å; D215-R272 PolarHBondContact OD1-NH2 2.82Å; D215-R272 IonicContact OD2-CZ 3.53Å; D215-R272 IonicContact OD2-NH1 3.75Å; D215-R272 PolarHBondContact OD2-NH1 2.95Å; D215-R272 IonicContact OD2-NH2 2.93Å; D215-R272 PolarHBondContact OD2-NH2 2.67Å; W216-R272 HydrophobicContact CD2-CG 4.34Å; W216-R272 VanDerWaalsContact CE3-NH2 3.35Å; W216-R272 HydrophobicContact CH2-CG 3.88Å; W216-R272 HydrophobicContact CZ2-CG 3.69Å; W216-R272 HydrophobicContact CZ3-CG 4.31Å; N270-R272 PolarHBondContact O-N 2.91Å | ||
| 273 | G | 86.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 84.7 | 160.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H174 W216 Y271 W275 | H174-G273 VanDerWaalsContact CD2-CA 3.42Å; H174-G273 WeakPolarHBondContact CD2-CA 3.47Å; H174-G273 VanDerWaalsContact NE2-CA 3.33Å; H174-G273 WeakPolarHBondContact NE2-CA 2.95Å; W216-G273 VanDerWaalsContact CZ2-O 3.29Å; W216-G273 WeakPolarHBondContact CZ2-O 3.1Å; W216-G273 PolarHBondContact NE1-O 2.81Å; Y271-G273 VanDerWaalsContact CZ-CA 3.5Å; G273-W275 PolarHBondContact O-N 2.88Å |
| 274 | R | 87.2 | Confident | 85.4 | Confident | 89 Ų | 89 | 67.5 Ų | 67.5 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | trans | -58.8 | 135.7 | 174.2 | -169.9 | 176.8 | -179 | -142.5 | -0.6 | 110.6 | N176 T178 E243 Y271 Q276 | N176-R274 PolarHBondContact ND2-O 2.06Å; T178-R274 WeakPolarHBondContact CG2-O 3.5Å; E243-R274 IonicContact OE1-CZ 3.66Å; E243-R274 IonicContact OE1-NE 3.95Å; E243-R274 PolarHBondContact OE1-NE 3.05Å; E243-R274 IonicContact OE1-NH2 3.57Å; E243-R274 PolarHBondContact OE1-NH2 2.96Å; Y271-R274 PolarHBondContact OH-N 2.89Å; R274-Q276 PolarHBondContact O-N 2.84Å | ||
| 275 | W | 90.6 | Very high | 85 | Confident | 52 Ų | 52 | 71 Ų | 71 | 20% | 0.197 | 34% | 0.336 | C | S | . | . | trans | -65 | 131.2 | 173.3 | -177 | 78.9 | 0 | 0 | 0 | 110.2 | R211 K212 W216 D218 G273 R277 | R211-W275 VanDerWaalsContact C-CZ2 3.48Å; K212-W275 HydrophobicContact CB-CD2 3.61Å; K212-W275 HydrophobicContact CB-CE3 3.89Å; K212-W275 HydrophobicContact CB-CG 4.02Å; K212-W275 HydrophobicContact CB-CH2 4.24Å; K212-W275 HydrophobicContact CB-CZ2 4.03Å; K212-W275 HydrophobicContact CB-CZ3 4.19Å; K212-W275 HydrophobicContact CD-CB 3.95Å; K212-W275 HydrophobicContact CD-CD2 4.22Å; K212-W275 HydrophobicContact CD-CE3 4.37Å; K212-W275 HydrophobicContact CD-CG 4.04Å; K212-W275 HydrophobicContact CG-CB 4.02Å; K212-W275 HydrophobicContact CG-CD2 3.76Å; K212-W275 HydrophobicContact CG-CE3 4.27Å; K212-W275 HydrophobicContact CG-CG 3.61Å; K212-W275 VanDerWaalsContact N-CZ2 3.26Å; W216-W275 HydrophobicContact CD2-CB 4.03Å; W216-W275 AromaticContact CD2-CD1 3.72Å; W216-W275 HydrophobicContact CD2-CG 4.28Å; W216-W275 AromaticContact CE3-CD1 3.85Å; W216-W275 HydrophobicContact CG-CB 3.92Å; W216-W275 HydrophobicContact CG-CG 4.33Å; D218-W275 PolarHBondContact OD1-N 2.82Å; G273-W275 PolarHBondContact O-N 2.88Å; W275-R277 HydrophobicContact CH2-CG 3.47Å; W275-R277 VanDerWaalsContact CH2-CG 3.47Å; W275-R277 HydrophobicContact CZ2-CG 4.06Å; W275-R277 HydrophobicContact CZ3-CG 4.08Å | ||
| 276 | Q | 88.6 | Confident | 84.5 | Confident | 32 Ų | 32 | 71.5 Ų | 71.5 | 15% | 0.15 | 35% | 0.349 | C | S | . | . | trans | -137.1 | 152.4 | 168.2 | -67.4 | -172 | -11.3 | 0 | 0 | 109.6 | T178 N192 R274 | T178-Q276 HydrophobicContact CG2-CB 4.03Å; T178-Q276 HydrophobicContact CG2-CG 3.7Å; N192-Q276 VanDerWaalsContact CG-OE1 3.3Å; N192-Q276 PolarHBondContact ND2-OE1 2.73Å; R274-Q276 PolarHBondContact O-N 2.84Å | ||
| 277 | R | 90 | Very high | 83.9 | Confident | 95 Ų | 95 | 72.1 Ų | 72.1 | 36% | 0.358 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 124.8 | 177.1 | -70.2 | 176.5 | 177.5 | -89.9 | 7 | 109.2 | R206 Y208 T210 W275 | R206-R277 PolarHBondContact NH1-O 2.89Å; Y208-R277 PolarHBondContact O-NH1 2.81Å; T210-R277 PolarHBondContact O-NH1 2.76Å; W275-R277 HydrophobicContact CH2-CG 3.47Å; W275-R277 VanDerWaalsContact CH2-CG 3.47Å; W275-R277 HydrophobicContact CZ2-CG 4.06Å; W275-R277 HydrophobicContact CZ3-CG 4.08Å |
| 278 | P | 88.8 | Confident | 83.5 | Confident | 37 Ų | 37 | 78.2 Ų | 78.2 | 24% | 0.24 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 152.2 | -177 | 26.5 | -33.2 | 0 | 0 | 0 | 111.1 | N207 T210 | N207-P278 HydrophobicContact CB-CG 4.28Å; N207-P278 WeakPolarHBondContact CB-O 3.39Å; N207-P278 PolarHBondContact N-O 3.42Å; T210-P278 HydrophobicContact CG2-CG 4.03Å |
| 279 | Y | 89.2 | Confident | 82.8 | Confident | 15 Ų | 15 | 84.3 Ų | 84.3 | 6% | 0.059 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 142.4 | 162.4 | -83.1 | -78.4 | 0 | 0 | 0 | 109.9 | I194 D195 H200 M204 R206 L290 | I194-Y279 HydrophobicContact CB-CD2 4.18Å; I194-Y279 HydrophobicContact CB-CE2 3.95Å; I194-Y279 HydrophobicContact CD1-CD2 3.22Å; I194-Y279 HydrophobicContact CD1-CE2 3.88Å; I194-Y279 HydrophobicContact CD1-CG 3.58Å; I194-Y279 HydrophobicContact CG1-CD2 4.21Å; I194-Y279 HydrophobicContact CG1-CE2 4.49Å; I194-Y279 HydrophobicContact CG2-CE2 4.18Å; D195-Y279 PolarHBondContact OD1-OH 3.26Å; H200-Y279 AromaticContact NE2-CZ 3.89Å; H200-Y279 PolarHBondContact NE2-OH 3.4Å; M204-Y279 HydrophobicContact CE-CD1 3.5Å; M204-Y279 VanDerWaalsContact CE-CD1 3.5Å; M204-Y279 HydrophobicContact CE-CD2 4.41Å; M204-Y279 HydrophobicContact CE-CE1 3.47Å; M204-Y279 VanDerWaalsContact CE-CE1 3.47Å; M204-Y279 HydrophobicContact CE-CE2 4.35Å; M204-Y279 HydrophobicContact CE-CG 3.97Å; M204-Y279 HydrophobicContact CG-CD1 3.63Å; M204-Y279 HydrophobicContact CG-CE1 4.4Å; M204-Y279 HydrophobicContact CG-CG 4.07Å; M204-Y279 HydrophobicContact SD-CD1 3.98Å; M204-Y279 HydrophobicContact SD-CG 4.08Å; R206-Y279 HydrophobicContact CB-CE1 4.44Å; R206-Y279 VanDerWaalsContact CD-CZ 3.5Å; R206-Y279 HydrophobicContact CG-CD1 4.2Å; R206-Y279 HydrophobicContact CG-CE1 3.61Å; R206-Y279 HydrophobicContact CG-CE2 4.44Å; R206-Y279 VanDerWaalsContact NE-CE2 3.29Å; R206-Y279 VanDerWaalsContact NE-CZ 3.29Å; R206-Y279 PolarHBondContact NE-OH 3.06Å; Y279-L290 WeakPolarHBondContact O-CB 3.5Å; Y279-L290 PolarHBondContact O-N 2.86Å; Y279-L290 VanDerWaalsContact O-N 3.1Å |
| 280 | I | 88.1 | Confident | 82.3 | Confident | 4 Ų | 4 | 75.6 Ų | 75.6 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 147.5 | 172.1 | 55.7 | 171.3 | 0 | 0 | 0 | 109.1 | M204 V205 N207 E287 K288 | M204-I280 WeakPolarHBondContact CA-O 3.21Å; V205-I280 HydrophobicContact CG2-CD1 4.09Å; V205-I280 HydrophobicContact CG2-CG1 3.72Å; V205-I280 PolarHBondContact N-O 2.92Å; V205-I280 WeakPolarHBondContact O-CG1 3.23Å; V205-I280 PolarHBondContact O-N 3.26Å; N207-I280 HydrophobicContact CB-CD1 4.04Å; N207-I280 HydrophobicContact CB-CG1 4.05Å; N207-I280 HydrophobicContact CB-CG2 3.85Å; I280-E287 HydrophobicContact CD1-CB 4.23Å; I280-E287 HydrophobicContact CD1-CG 3.98Å; I280-K288 WeakPolarHBondContact CA-O 3.31Å |
| 281 | I | 85.7 | Confident | 82 | Confident | 44 Ų | 44 | 72 Ų | 72 | 23% | 0.226 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 130 | 168 | -62.4 | 164.8 | 0 | 0 | 0 | 108.3 | I201 R283 K288 L290 | I201-I281 HydrophobicContact CD1-CD1 3.7Å; I201-I281 HydrophobicContact CD1-CG1 3.89Å; I281-R283 HydrophobicContact CG2-CB 4.12Å; I281-K288 PolarHBondContact N-O 3.19Å; I281-K288 PolarHBondContact O-N 2.93Å; I281-K288 VanDerWaalsContact O-N 3.16Å; I281-L290 HydrophobicContact CD1-CD1 3.7Å; I281-L290 HydrophobicContact CG1-CB 4.41Å; I281-L290 HydrophobicContact CG1-CD1 4.17Å; I281-L290 HydrophobicContact CG1-CD2 4.43Å |
| 282 | K | 82.5 | Confident | 81.8 | Confident | 105 Ų | 105 | 72.1 Ų | 72.1 | 46% | 0.457 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 103 | 167.9 | -73.2 | -176.6 | 173 | -176.1 | 0 | 109.8 | Y203 V205 E287 | Y203-K282 WeakPolarHBondContact CB-O 3.36Å; Y203-K282 PolarHBondContact O-N 2.74Å; V205-K282 HydrophobicContact CG2-CD 3.83Å; V205-K282 HydrophobicContact CG2-CG 4.06Å; K282-E287 WeakPolarHBondContact CE-OE1 3.44Å; K282-E287 HydrophobicContact CG-CG 4.19Å; K282-E287 IonicContact NZ-OE1 3.63Å |
| 283 | R | 77.6 | Confident | 81.7 | Confident | 183 Ų | 183 | 71.8 Ų | 71.8 | 69% | 0.691 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 130.4 | 176.9 | -168.1 | 175.7 | -178.3 | -176.2 | 0.7 | 110.3 | I281 G285 G286 | I281-R283 HydrophobicContact CG2-CB 4.12Å; R283-G285 VanDerWaalsContact C-N 3.27Å; R283-G285 PolarHBondContact O-N 2.84Å; R283-G286 PolarHBondContact N-O 2.9Å; R283-G286 VanDerWaalsContact N-O 3.14Å; R283-G286 PolarHBondContact O-N 2.89Å |
| 284 | N | 71.3 | Confident | 81.7 | Confident | 161 Ų | 161 | 72.6 Ų | 72.6 | 86% | 0.861 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 43.8 | 176.4 | -60.6 | -4.9 | 0 | 0 | 0 | 113.9 | G286 | N284-G286 PolarHBondContact O-N 2.8Š|
| 285 | G | 70 | Confident | 81.8 | Confident | 92 Ų | 92 | 69.3 Ų | 69.3 | 95% | 0.948 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | -3.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R283 | R283-G285 VanDerWaalsContact C-N 3.27Å; R283-G285 PolarHBondContact O-N 2.84Å |
| 286 | G | 71.8 | Confident | 82 | Confident | 35 Ų | 35 | 69.7 Ų | 69.7 | 36% | 0.361 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 150.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R283 N284 | R283-G286 PolarHBondContact N-O 2.9Å; R283-G286 VanDerWaalsContact N-O 3.14Å; R283-G286 PolarHBondContact O-N 2.89Å; N284-G286 PolarHBondContact O-N 2.8Å |
| 287 | E | 72.6 | Confident | 82.5 | Confident | 96 Ų | 96 | 68.1 Ų | 68.1 | 45% | 0.449 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125.1 | 168.1 | -65.3 | -175.9 | 166.3 | 0 | 0 | 108.5 | I280 K282 | I280-E287 HydrophobicContact CD1-CB 4.23Å; I280-E287 HydrophobicContact CD1-CG 3.98Å; K282-E287 WeakPolarHBondContact CE-OE1 3.44Å; K282-E287 HydrophobicContact CG-CG 4.19Å; K282-E287 IonicContact NZ-OE1 3.63Å |
| 288 | K | 75.1 | Confident | 82.8 | Confident | 163 Ų | 163 | 64 Ų | 64 | 71% | 0.709 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139 | 171.1 | -70.1 | -171.5 | 178.8 | -174.7 | 0 | 110 | I280 I281 L290 | I280-K288 WeakPolarHBondContact CA-O 3.31Å; I281-K288 PolarHBondContact N-O 3.19Å; I281-K288 PolarHBondContact O-N 2.93Å; I281-K288 VanDerWaalsContact O-N 3.16Å; K288-L290 PolarHBondContact O-N 2.7Å |
| 289 | N | 72 | Confident | 83.3 | Confident | 131 Ų | 131 | 62.4 Ų | 62.4 | 70% | 0.701 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 130.5 | 170.2 | -73.8 | -23.2 | 0 | 0 | 0 | 109.1 | ||
| 290 | L | 78.5 | Confident | 83.8 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | trans | -89.3 | 126.3 | 173.1 | -178 | 57.9 | 0 | 0 | 0 | 108.7 | Q177 I194 I201 M204 Y279 I281 K288 | Q177-L290 PolarHBondContact NE2-O 3.41Å; I194-L290 HydrophobicContact CD1-CD2 3.88Å; I201-L290 HydrophobicContact CD1-CD1 4.49Å; I201-L290 HydrophobicContact CD1-CD2 4.45Å; M204-L290 HydrophobicContact CG-CD2 3.75Å; M204-L290 HydrophobicContact SD-CD2 3.33Å; M204-L290 WeakPolarHBondContact SD-CD2 3.31Å; Y279-L290 WeakPolarHBondContact O-CB 3.5Å; Y279-L290 PolarHBondContact O-N 2.86Å; Y279-L290 VanDerWaalsContact O-N 3.1Å; I281-L290 HydrophobicContact CD1-CD1 3.7Å; I281-L290 HydrophobicContact CG1-CB 4.41Å; I281-L290 HydrophobicContact CG1-CD1 4.17Å; I281-L290 HydrophobicContact CG1-CD2 4.43Å; K288-L290 PolarHBondContact O-N 2.7Å | ||
| 291 | Q | 82.5 | Confident | 84.2 | Confident | 51 Ų | 51 | 61.5 Ų | 61.5 | 24% | 0.238 | 34% | 0.338 | C | S | . | . | trans | -121.2 | 129.9 | 151.3 | -177.2 | 179.4 | 3.7 | 0 | 0 | 105.9 | T83 L84 D293 | T83-Q291 PolarHBondContact O-NE2 3.04Å; L84-Q291 HydrophobicContact CD2-CG 4.46Å; Q291-D293 PolarHBondContact O-N 2.88Å | ||
| 292 | L | 82 | Confident | 84.8 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | trans | -66.7 | 121.8 | 173.3 | -76.3 | 164.9 | 0 | 0 | 0 | 108.8 | I193 I194 L199 | I193-L292 HydrophobicContact CG2-CD1 3.73Å; I194-L292 HydrophobicContact CG1-CD1 3.81Å; L199-L292 HydrophobicContact CB-CD1 4.28Å; L199-L292 HydrophobicContact CD1-CD1 3.8Å | ||
| 293 | D | 85.4 | Confident | 85.4 | Confident | 85 Ų | 85 | 55 Ų | 55 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | trans | -82.5 | 118.6 | 168 | -171.3 | -0.2 | 0 | 0 | 0 | 108.1 | L84 Q291 G295 | L84-D293 HydrophobicContact CD2-CB 3.97Å; L84-D293 HydrophobicContact CG-CB 4.43Å; Q291-D293 PolarHBondContact O-N 2.88Å; D293-G295 PolarHBondContact O-N 3.38Å; D293-G295 WeakPolarHBondContact OD1-CA 3.43Å; D293-G295 PolarHBondContact OD1-N 3.46Å | ||
| 294 | H | 85.6 | Confident | 86.2 | Confident | 17 Ų | 17 | 46.3 Ų | 46.3 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | trans | -83.4 | 5.4 | 174.2 | -66.3 | -72 | 0 | 0 | 0 | 112.3 | T83 H126 | T83-H294 HydrophobicContact CG2-CB 4.01Å; T83-H294 PolarHBondContact OG1-CD2 3.07Å; T83-H294 VanDerWaalsContact OG1-CD2 3.31Å; T83-H294 PolarHBondContact OG1-N 3.25Å; H126-H294 PolarHBondContact CD2-O 2.86Å; H126-H294 VanDerWaalsContact CD2-O 3.32Å; H126-H294 PolarHBondContact CE1-O 2.62Å; H126-H294 VanDerWaalsContact CE1-O 3.24Å; H126-H294 PolarHBondContact ND1-O 2.95Å; H126-H294 PolarHBondContact NE2-O 3.31Å | ||
| 295 | G | 90.1 | Very high | 87.1 | Confident | 20 Ų | 20 | 43.5 Ų | 43.5 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | trans | 78.1 | 178.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D293 I297 | D293-G295 PolarHBondContact O-N 3.38Å; D293-G295 WeakPolarHBondContact OD1-CA 3.43Å; D293-G295 PolarHBondContact OD1-N 3.46Å; G295-I297 PolarHBondContact O-N 2.9Å | ||
| 296 | S | 95.3 | Very high | 88 | Confident | 59 Ų | 59 | 39.1 Ų | 39.1 | 41% | 0.413 | 21% | 0.208 | S | C | . | . | trans | -76 | 119.4 | 174.9 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | F81 P111 A112 H126 | F81-S296 CarbonylContact O-C 3.53Å; F81-S296 WeakPolarHBondContact O-CA 3.4Å; P111-S296 CarbonylContact C-O 3.46Å; P111-S296 VanDerWaalsContact CA-O 3.27Å; P111-S296 WeakPolarHBondContact CA-O 3.47Å; A112-S296 VanDerWaalsContact CB-OG 3.25Å; A112-S296 WeakPolarHBondContact CB-OG 3.3Å; A112-S296 PolarHBondContact N-O 3.41Å; H126-S296 PolarHBondContact NE2-O 2.74Å | ||
| 297 | I | 97.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128.1 | 175.2 | -55.3 | 160.7 | 0 | 0 | 0 | 107.4 | L77 P80 F81 T83 L88 L109 G295 | L77-I297 HydrophobicContact CD1-CG2 3.77Å; P80-I297 CarbonylContact C-O 3.53Å; P80-I297 VanDerWaalsContact CA-O 3.25Å; P80-I297 WeakPolarHBondContact CA-O 3.38Å; F81-I297 HydrophobicContact CD1-CB 4.3Å; F81-I297 HydrophobicContact CE1-CB 4.01Å; F81-I297 HydrophobicContact CE1-CD1 4.19Å; F81-I297 HydrophobicContact CE1-CG2 4.14Å; F81-I297 HydrophobicContact CE2-CD1 4.18Å; F81-I297 HydrophobicContact CZ-CB 4.49Å; F81-I297 HydrophobicContact CZ-CD1 3.8Å; F81-I297 PolarHBondContact N-O 3.38Å; F81-I297 PolarHBondContact O-N 2.67Å; T83-I297 HydrophobicContact CG2-CD1 4.11Å; L88-I297 HydrophobicContact CD1-CD1 4.39Å; L88-I297 HydrophobicContact CD2-CD1 4.43Å; L109-I297 HydrophobicContact CB-CG2 4.06Å; L109-I297 HydrophobicContact CD1-CD1 4.23Å; L109-I297 HydrophobicContact CD2-CG2 4.36Å; G295-I297 PolarHBondContact O-N 2.9Å |
| 298 | G | 98 | Very high | 89.7 | Confident | 8 Ų | 8 | 36.8 Ų | 36.8 | 8% | 0.082 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | -2.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | K76 L77 L110 | K76-G298 WeakPolarHBondContact CA-O 3.22Å; L77-G298 PolarHBondContact N-O 2.92Å; L110-G298 PolarHBondContact O-N 2.84Å |
| 299 | A | 98.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 165.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | R75 L110 L116 | R75-A299 CarbonylContact O-C 3.58Å; R75-A299 WeakPolarHBondContact O-CA 3.4Å; R75-A299 VanDerWaalsContact O-CB 3.22Å; R75-A299 WeakPolarHBondContact O-CB 3.35Å; L110-A299 HydrophobicContact CB-CB 3.95Å; L110-A299 HydrophobicContact CD1-CB 4.07Å; L110-A299 PolarHBondContact N-O 3.29Å; L110-A299 PolarHBondContact O-N 3.01Å; L116-A299 HydrophobicContact CD2-CB 3.82Å |
| 300 | V | 98.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 150.4 | 172.8 | 68.3 | 0 | 0 | 0 | 0 | 108.8 | L19 W33 S74 R75 L77 I107 K108 L109 I318 | L19-V300 HydrophobicContact CD2-CB 4.48Å; L19-V300 HydrophobicContact CD2-CG1 3.63Å; W33-V300 HydrophobicContact CH2-CG1 4.28Å; S74-V300 CarbonylContact C-O 3.53Å; S74-V300 WeakPolarHBondContact CA-O 3.34Å; S74-V300 VanDerWaalsContact CB-O 3.28Å; S74-V300 WeakPolarHBondContact CB-O 3.41Å; R75-V300 HydrophobicContact CB-CG1 4.48Å; R75-V300 PolarHBondContact N-O 2.91Å; R75-V300 PolarHBondContact O-N 2.97Å; L77-V300 HydrophobicContact CD2-CB 4.24Å; L77-V300 HydrophobicContact CD2-CG1 4.36Å; I107-V300 HydrophobicContact CD1-CG2 3.23Å; I107-V300 HydrophobicContact CG1-CG2 3.38Å; K108-V300 CarbonylContact O-C 3.59Å; K108-V300 VanDerWaalsContact O-CA 3.29Å; K108-V300 WeakPolarHBondContact O-CA 3.26Å; K108-V300 WeakPolarHBondContact O-CG2 3.49Å; L109-V300 HydrophobicContact CD2-CG2 4.27Å; V300-I318 HydrophobicContact CB-CD1 4.28Å; V300-I318 HydrophobicContact CG2-CD1 4.36Å |
| 301 | G | 98.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 154.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L73 K108 | L73-G301 CarbonylContact O-C 3.58Å; L73-G301 WeakPolarHBondContact O-CA 3.46Å; K108-G301 PolarHBondContact N-O 3.09Å; K108-G301 PolarHBondContact O-N 3.19Å |
| 302 | F | 97.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 1% | 0.013 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 119.2 | 169.6 | -62.3 | -71 | 0 | 0 | 0 | 108.1 | W33 L62 Y71 Q72 L73 Y92 I107 F119 L304 F313 I316 | W33-F302 AromaticContact CH2-CD2 3.88Å; W33-F302 HydrophobicContact CH2-CD2 3.88Å; W33-F302 AromaticContact CH2-CE2 3.5Å; W33-F302 HydrophobicContact CH2-CE2 3.5Å; W33-F302 VanDerWaalsContact CH2-CE2 3.5Å; W33-F302 HydrophobicContact CZ2-CE2 4.48Å; W33-F302 AromaticContact CZ3-CD2 3.68Å; W33-F302 HydrophobicContact CZ3-CD2 3.68Å; W33-F302 AromaticContact CZ3-CE2 3.82Å; W33-F302 HydrophobicContact CZ3-CE2 3.82Å; L62-F302 HydrophobicContact CD2-CD2 4.12Å; L62-F302 HydrophobicContact CD2-CE2 4.29Å; Y71-F302 CarbonylContact O-C 3.39Å; Q72-F302 CarbonylContact C-O 3.58Å; Q72-F302 VanDerWaalsContact CA-O 3.24Å; Q72-F302 WeakPolarHBondContact CA-O 3.35Å; L73-F302 PolarHBondContact N-O 3.48Å; L73-F302 PolarHBondContact O-N 3.01Å; Y92-F302 HydrophobicContact CD2-CE1 4.48Å; Y92-F302 HydrophobicContact CE2-CE1 4.31Å; I107-F302 HydrophobicContact CB-CD1 4.27Å; I107-F302 HydrophobicContact CB-CE1 3.82Å; I107-F302 HydrophobicContact CB-CZ 4.49Å; I107-F302 HydrophobicContact CD1-CE1 3.85Å; I107-F302 HydrophobicContact CD1-CE2 4.35Å; I107-F302 HydrophobicContact CD1-CZ 3.65Å; I107-F302 HydrophobicContact CG1-CD1 4.09Å; I107-F302 HydrophobicContact CG1-CE1 3.66Å; I107-F302 HydrophobicContact CG1-CZ 3.94Å; F119-F302 WeakPolarHBondContact CE1-O 3.39Å; F302-L304 HydrophobicContact CB-CD1 4.02Å; F302-L304 HydrophobicContact CB-CG 4.12Å; F302-L304 HydrophobicContact CD1-CD1 4.22Å; F302-L304 HydrophobicContact CG-CD1 4.46Å; F302-F313 HydrophobicContact CD1-CD1 4.19Å; F302-F313 HydrophobicContact CD1-CE1 4.18Å; F302-F313 HydrophobicContact CE1-CB 4.48Å; F302-F313 AromaticContact CE1-CD1 3.55Å; F302-F313 HydrophobicContact CE1-CD1 3.55Å; F302-F313 AromaticContact CE1-CE1 3.91Å; F302-F313 HydrophobicContact CE1-CE1 3.91Å; F302-F313 HydrophobicContact CE1-CG 4.08Å; F302-F313 HydrophobicContact CE2-CB 4.37Å; F302-F313 HydrophobicContact CZ-CB 3.96Å; F302-F313 AromaticContact CZ-CD1 3.89Å; F302-F313 HydrophobicContact CZ-CD1 3.89Å; F302-F313 HydrophobicContact CZ-CG 4.03Å; F302-I316 HydrophobicContact CE2-CD1 3.8Å; F302-I316 HydrophobicContact CZ-CD1 3.81Å; F302-I316 HydrophobicContact CZ-CG1 4.5Å |
| 303 | D | 95.3 | Very high | 93.5 | Very high | 9 Ų | 9 | 22 Ų | 22 | 5% | 0.048 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 93.6 | 171.7 | 161.1 | 55.3 | 0 | 0 | 0 | 106.9 | Y71 Q72 Y106 K108 F119 S121 | Y71-D303 WeakPolarHBondContact O-CA 3.05Å; Q72-D303 HydrophobicContact CG-CB 4.22Å; Q72-D303 VanDerWaalsContact CG-OD1 3.25Å; Q72-D303 WeakPolarHBondContact CG-OD1 3.5Å; Q72-D303 PolarHBondContact NE2-OD1 3.29Å; Q72-D303 VanDerWaalsContact NE2-OD1 3.1Å; Y106-D303 WeakPolarHBondContact CE2-O 3.46Å; K108-D303 HydrophobicContact CD-CB 4.37Å; K108-D303 IonicContact NZ-OD2 2.64Å; K108-D303 PolarHBondContact NZ-OD2 3.07Å; F119-D303 HydrophobicContact CE1-CB 3.85Å; F119-D303 HydrophobicContact CE2-CB 4.3Å; F119-D303 HydrophobicContact CZ-CB 3.57Å; S121-D303 WeakPolarHBondContact CA-OD2 3.32Å; S121-D303 PolarHBondContact N-OD1 2.92Å; S121-D303 PolarHBondContact N-OD2 2.67Å |
| 304 | L | 93.9 | Very high | 94 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 139.2 | -164.8 | -53.9 | 176.7 | 0 | 0 | 0 | 110.8 | Y70 Y71 G104 Y106 F302 I306 F313 | Y70-L304 CarbonylContact C-O 3.54Å; Y70-L304 WeakPolarHBondContact CA-O 3.28Å; Y71-L304 PolarHBondContact N-O 3Å; Y71-L304 PolarHBondContact O-N 3.07Å; G104-L304 WeakPolarHBondContact O-CD2 3.47Å; Y106-L304 HydrophobicContact CD2-CD2 3.96Å; Y106-L304 HydrophobicContact CE1-CD2 4.43Å; Y106-L304 HydrophobicContact CE2-CD2 3.82Å; Y106-L304 HydrophobicContact CG-CD2 4.33Å; Y106-L304 WeakPolarHBondContact O-CD2 3.36Å; F302-L304 HydrophobicContact CB-CD1 4.02Å; F302-L304 HydrophobicContact CB-CG 4.12Å; F302-L304 HydrophobicContact CD1-CD1 4.22Å; F302-L304 HydrophobicContact CG-CD1 4.46Å; L304-I306 HydrophobicContact CB-CD1 4.06Å; L304-I306 HydrophobicContact CB-CG1 3.92Å; L304-I306 HydrophobicContact CD1-CD1 4.11Å; L304-F313 HydrophobicContact CD1-CE1 4.2Å; L304-F313 HydrophobicContact CD1-CE2 3.95Å; L304-F313 HydrophobicContact CD1-CZ 3.44Å; L304-F313 VanDerWaalsContact CD1-CZ 3.44Å |
| 305 | W | 90.6 | Very high | 94.4 | Very high | 101 Ų | 101 | 18.3 Ų | 18.3 | 38% | 0.383 | 10% | 0.103 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.2 | 161.6 | 173.9 | -104.4 | 0 | 0 | 0 | 108.9 | F68 Y70 | F68-W305 HydrophobicContact CB-CH2 3.94Å; F68-W305 HydrophobicContact CB-CZ2 3.98Å; F68-W305 HydrophobicContact CD1-CZ2 4.16Å; F68-W305 WeakPolarHBondContact O-CH2 3.19Å; Y70-W305 HydrophobicContact CD1-CB 4.29Å; Y70-W305 AromaticContact CD1-CE3 3.9Å; Y70-W305 HydrophobicContact CD1-CE3 3.9Å; Y70-W305 AromaticContact CD2-CE3 3.73Å; Y70-W305 HydrophobicContact CD2-CE3 3.73Å; Y70-W305 AromaticContact CD2-CZ3 3.77Å; Y70-W305 HydrophobicContact CD2-CZ3 3.77Å; Y70-W305 HydrophobicContact CE1-CB 4.08Å; Y70-W305 HydrophobicContact CE1-CD2 4.44Å; Y70-W305 AromaticContact CE1-CE3 3.81Å; Y70-W305 HydrophobicContact CE1-CE3 3.81Å; Y70-W305 AromaticContact CE2-CE3 3.63Å; Y70-W305 HydrophobicContact CE2-CE3 3.63Å; Y70-W305 AromaticContact CE2-CZ3 3.67Å; Y70-W305 HydrophobicContact CE2-CZ3 3.67Å; Y70-W305 AromaticContact CG-CE3 3.86Å; Y70-W305 HydrophobicContact CG-CE3 3.86Å; Y70-W305 HydrophobicContact CG-CZ3 4.31Å; Y70-W305 AromaticContact CZ-CE3 3.69Å |
| 306 | I | 89.2 | Confident | 94.8 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.9 | -172.1 | -60.9 | -175.1 | 0 | 0 | 0 | 110.4 | P64 F68 R69 Y71 L304 T308 P309 I311 | P64-I306 HydrophobicContact CB-CD1 3.69Å; P64-I306 HydrophobicContact CB-CG2 4.49Å; P64-I306 HydrophobicContact CG-CD1 3.3Å; F68-I306 WeakPolarHBondContact CA-O 3.23Å; F68-I306 PolarHBondContact N-O 3.42Å; R69-I306 PolarHBondContact N-O 3.44Å; R69-I306 PolarHBondContact O-N 2.95Å; R69-I306 VanDerWaalsContact O-N 3.09Å; Y71-I306 HydrophobicContact CD2-CB 3.92Å; Y71-I306 HydrophobicContact CD2-CD1 3.66Å; Y71-I306 HydrophobicContact CD2-CG1 3.85Å; Y71-I306 HydrophobicContact CE2-CB 3.86Å; Y71-I306 HydrophobicContact CE2-CD1 4.12Å; Y71-I306 HydrophobicContact CE2-CG1 4.27Å; Y71-I306 HydrophobicContact CE2-CG2 4.5Å; Y71-I306 HydrophobicContact CG-CD1 4.17Å; L304-I306 HydrophobicContact CB-CD1 4.06Å; L304-I306 HydrophobicContact CB-CG1 3.92Å; L304-I306 HydrophobicContact CD1-CD1 4.11Å; I306-T308 VanDerWaalsContact CG2-C 3.49Å; I306-T308 VanDerWaalsContact CG2-O 3.32Å; I306-T308 WeakPolarHBondContact CG2-O 3.24Å; I306-P309 HydrophobicContact CG2-CB 4.29Å; I306-I311 HydrophobicContact CD1-CD1 4.5Å |
| 307 | I | 90.3 | Very high | 94.8 | Very high | 51 Ų | 51 | 14.6 Ų | 14.6 | 26% | 0.262 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -89.8 | -43.6 | 172.2 | -60.8 | -175.5 | 0 | 0 | 0 | 110.1 | S67 F68 C102 P309 | S67-I307 WeakPolarHBondContact CA-O 3.43Å; S67-I307 WeakPolarHBondContact CB-O 3.49Å; S67-I307 PolarHBondContact OG-O 3.24Å; F68-I307 HydrophobicContact CD1-CG1 4.16Å; F68-I307 HydrophobicContact CD1-CG2 4.27Å; F68-I307 HydrophobicContact CE1-CB 4.36Å; F68-I307 HydrophobicContact CE1-CD1 4.32Å; F68-I307 HydrophobicContact CE1-CG1 4.13Å; F68-I307 HydrophobicContact CE1-CG2 3.63Å; F68-I307 HydrophobicContact CZ-CG2 3.78Å; C102-I307 HydrophobicContact CB-CD1 4.08Å; I307-P309 WeakPolarHBondContact O-CD 3.45Å |
| 308 | T | 89.7 | Confident | 94.8 | Very high | 32 Ų | 32 | 14.6 Ų | 14.6 | 20% | 0.196 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -111.1 | 102.2 | 179.5 | -53.5 | 0 | 0 | 0 | 0 | 109.8 | I306 E310 | I306-T308 VanDerWaalsContact CG2-C 3.49Å; I306-T308 VanDerWaalsContact CG2-O 3.32Å; I306-T308 WeakPolarHBondContact CG2-O 3.24Å; T308-E310 HydrophobicContact CG2-CB 3.95Å; T308-E310 HydrophobicContact CG2-CG 3.79Å; T308-E310 PolarHBondContact O-N 2.87Å |
| 309 | P | 90.2 | Very high | 94.8 | Very high | 24 Ų | 24 | 14.2 Ų | 14.2 | 16% | 0.156 | 7% | 0.07 | C | C | . | . | trans | -79.4 | 48.2 | -176.9 | 36.5 | -39.4 | 0 | 0 | 0 | 111.9 | P64 S67 I306 I307 | P64-P309 HydrophobicContact CB-CB 4.08Å; P64-P309 WeakPolarHBondContact O-CB 3.46Å; P64-P309 VanDerWaalsContact O-O 3.06Å; S67-P309 WeakPolarHBondContact OG-CD 3.46Å; I306-P309 HydrophobicContact CG2-CB 4.29Å; I307-P309 WeakPolarHBondContact O-CD 3.45Å | ||
| 310 | E | 91.3 | Very high | 94.6 | Very high | 39 Ų | 39 | 15.4 Ų | 15.4 | 18% | 0.182 | 8% | 0.076 | C | C | . | . | trans | -115.4 | 48.3 | -177.8 | -64.6 | -102.9 | -177.4 | 0 | 0 | 108.3 | N96 Q97 R98 T308 | N96-E310 CarbonylContact C-O 3.5Å; Q97-E310 HydrophobicContact CB-CB 4.17Å; Q97-E310 PolarHBondContact N-O 2.81Å; R98-E310 WeakPolarHBondContact CD-OE2 3.46Å; R98-E310 WeakPolarHBondContact CG-OE2 3.3Å; R98-E310 IonicContact CZ-OE1 2.74Å; R98-E310 IonicContact CZ-OE2 2.93Å; R98-E310 IonicContact NE-OE1 3.33Å; R98-E310 PolarHBondContact NE-OE1 3.18Å; R98-E310 IonicContact NE-OE2 2.9Å; R98-E310 PolarHBondContact NE-OE2 2.85Å; R98-E310 VanDerWaalsContact NE-OE2 3.1Å; R98-E310 IonicContact NH1-OE1 2.75Å; R98-E310 PolarHBondContact NH1-OE1 2.88Å; R98-E310 IonicContact NH2-OE1 3.88Å; R98-E310 IonicContact NH2-OE2 2.82Å; T308-E310 HydrophobicContact CG2-CB 3.95Å; T308-E310 HydrophobicContact CG2-CG 3.79Å; T308-E310 PolarHBondContact O-N 2.87Å | ||
| 311 | I | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 140.2 | -178.3 | -58 | 165.6 | 0 | 0 | 0 | 109 | P64 V94 K95 I100 A103 I306 F313 | P64-I311 WeakPolarHBondContact CD-O 3.44Å; V94-I311 HydrophobicContact CG1-CG2 3.86Å; K95-I311 CarbonylContact O-C 3.57Å; K95-I311 VanDerWaalsContact O-CA 3.25Å; K95-I311 WeakPolarHBondContact O-CA 3.31Å; I100-I311 HydrophobicContact CD1-CD1 3.7Å; I100-I311 HydrophobicContact CD1-CG1 3.24Å; A103-I311 HydrophobicContact CB-CD1 3.45Å; A103-I311 VanDerWaalsContact CB-CD1 3.45Å; I306-I311 HydrophobicContact CD1-CD1 4.5Å; I311-F313 HydrophobicContact CB-CE2 4.12Å; I311-F313 HydrophobicContact CB-CZ 4.4Å; I311-F313 HydrophobicContact CG2-CD1 4.49Å; I311-F313 HydrophobicContact CG2-CD2 4Å; I311-F313 HydrophobicContact CG2-CE1 4.04Å; I311-F313 HydrophobicContact CG2-CE2 3.49Å; I311-F313 VanDerWaalsContact CG2-CE2 3.49Å; I311-F313 HydrophobicContact CG2-CG 4.47Å; I311-F313 HydrophobicContact CG2-CZ 3.51Å |
| 312 | V | 95.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 17.5 Ų | 17.5 | 4% | 0.036 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.3 | 169.3 | -165.8 | 0 | 0 | 0 | 0 | 108.6 | Q63 V94 K95 Q97 | Q63-V312 HydrophobicContact CG-CB 4.25Å; Q63-V312 HydrophobicContact CG-CG1 4.06Å; Q63-V312 HydrophobicContact CG-CG2 3.89Å; V94-V312 WeakPolarHBondContact CA-O 3.39Å; K95-V312 HydrophobicContact CB-CB 4.11Å; K95-V312 HydrophobicContact CB-CG2 4.41Å; K95-V312 HydrophobicContact CD-CG2 4.3Å; K95-V312 PolarHBondContact N-O 2.79Å; K95-V312 PolarHBondContact O-N 3.07Å; Q97-V312 HydrophobicContact CG-CG2 3.93Å |
| 313 | F | 97.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.009 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130.6 | 173 | -59.2 | -87.8 | 0 | 0 | 0 | 109.7 | G61 L62 P64 Y92 S93 V94 A105 F302 L304 I311 | G61-F313 CarbonylContact C-O 3.59Å; G61-F313 WeakPolarHBondContact CA-O 3.23Å; L62-F313 HydrophobicContact CB-CB 4.39Å; L62-F313 PolarHBondContact N-O 3.47Å; L62-F313 PolarHBondContact O-N 3.47Å; P64-F313 HydrophobicContact CG-CE2 4.09Å; Y92-F313 HydrophobicContact CD2-CD1 4.35Å; Y92-F313 HydrophobicContact CE2-CD1 4.16Å; S93-F313 WeakPolarHBondContact O-CA 3.43Å; V94-F313 HydrophobicContact CG2-CD1 4.09Å; V94-F313 HydrophobicContact CG2-CE1 4.22Å; A105-F313 HydrophobicContact CB-CE1 3.62Å; A105-F313 HydrophobicContact CB-CZ 3.81Å; F302-F313 HydrophobicContact CD1-CD1 4.19Å; F302-F313 HydrophobicContact CD1-CE1 4.18Å; F302-F313 HydrophobicContact CE1-CB 4.48Å; F302-F313 AromaticContact CE1-CD1 3.55Å; F302-F313 HydrophobicContact CE1-CD1 3.55Å; F302-F313 AromaticContact CE1-CE1 3.91Å; F302-F313 HydrophobicContact CE1-CE1 3.91Å; F302-F313 HydrophobicContact CE1-CG 4.08Å; F302-F313 HydrophobicContact CE2-CB 4.37Å; F302-F313 HydrophobicContact CZ-CB 3.96Å; F302-F313 AromaticContact CZ-CD1 3.89Å; F302-F313 HydrophobicContact CZ-CD1 3.89Å; F302-F313 HydrophobicContact CZ-CG 4.03Å; L304-F313 HydrophobicContact CD1-CE1 4.2Å; L304-F313 HydrophobicContact CD1-CE2 3.95Å; L304-F313 HydrophobicContact CD1-CZ 3.44Å; L304-F313 VanDerWaalsContact CD1-CZ 3.44Å; I311-F313 HydrophobicContact CB-CE2 4.12Å; I311-F313 HydrophobicContact CB-CZ 4.4Å; I311-F313 HydrophobicContact CG2-CD1 4.49Å; I311-F313 HydrophobicContact CG2-CD2 4Å; I311-F313 HydrophobicContact CG2-CE1 4.04Å; I311-F313 HydrophobicContact CG2-CE2 3.49Å; I311-F313 VanDerWaalsContact CG2-CE2 3.49Å; I311-F313 HydrophobicContact CG2-CG 4.47Å; I311-F313 HydrophobicContact CG2-CZ 3.51Å |
| 314 | D | 95.8 | Very high | 93 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 4% | 0.037 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 178.3 | -178 | -169.9 | 22 | 0 | 0 | 0 | 111.7 | R22 F23 K60 S93 I316 | R22-D314 WeakPolarHBondContact CA-OD1 3.39Å; F23-D314 WeakPolarHBondContact CD2-OD1 3.39Å; K60-D314 VanDerWaalsContact O-CG 3.24Å; S93-D314 PolarHBondContact N-O 3.12Å; S93-D314 PolarHBondContact O-N 3.02Å; S93-D314 VanDerWaalsContact OG-C 3.25Å; S93-D314 WeakPolarHBondContact OG-CB 3.26Å; S93-D314 PolarHBondContact OG-O 3.05Å; S93-D314 VanDerWaalsContact OG-O 3.06Å; D314-I316 VanDerWaalsContact C-N 3.31Å; D314-I316 PolarHBondContact O-N 3.39Å |
| 315 | N | 95 | Very high | 92.8 | Very high | 18 Ų | 18 | 21.8 Ų | 21.8 | 10% | 0.096 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55 | 41.4 | 171 | -57.7 | -72.9 | 0 | 0 | 0 | 113.5 | E21 Y92 S93 F168 L317 F328 | E21-N315 CarbonylContact O-C 3.52Å; E21-N315 WeakPolarHBondContact O-CA 3.4Å; E21-N315 PolarHBondContact O-N 3.44Å; Y92-N315 WeakPolarHBondContact CA-O 3.43Å; S93-N315 PolarHBondContact OG-ND2 2.76Å; F168-N315 HydrophobicContact CE1-CB 3.54Å; F168-N315 HydrophobicContact CZ-CB 3.73Å; N315-L317 PolarHBondContact O-N 3.15Å; N315-F328 HydrophobicContact CB-CE1 4.25Å; N315-F328 HydrophobicContact CB-CZ 4.17Å; N315-F328 WeakPolarHBondContact OD1-CZ 3.35Å |
| 316 | I | 97.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 109.8 | -176.9 | -53.2 | 163.3 | 0 | 0 | 0 | 108.4 | L19 D20 E21 F23 W33 Q91 I107 F302 D314 | L19-I316 HydrophobicContact CD2-CG2 3.86Å; D20-I316 WeakPolarHBondContact CA-O 3.41Å; E21-I316 HydrophobicContact CB-CB 4.23Å; E21-I316 PolarHBondContact N-O 2.75Å; E21-I316 PolarHBondContact O-N 3.14Å; F23-I316 HydrophobicContact CE2-CD1 4.18Å; F23-I316 HydrophobicContact CZ-CD1 4.24Å; W33-I316 HydrophobicContact CH2-CD1 3.69Å; W33-I316 HydrophobicContact CZ2-CD1 3.58Å; Q91-I316 CarbonylContact O-C 3.53Å; Q91-I316 WeakPolarHBondContact O-CA 3.41Å; I107-I316 HydrophobicContact CD1-CD1 4.34Å; I107-I316 HydrophobicContact CD1-CG1 4.4Å; I107-I316 HydrophobicContact CD1-CG2 3.83Å; F302-I316 HydrophobicContact CE2-CD1 3.8Å; F302-I316 HydrophobicContact CZ-CD1 3.81Å; F302-I316 HydrophobicContact CZ-CG1 4.5Å; D314-I316 VanDerWaalsContact C-N 3.31Å; D314-I316 PolarHBondContact O-N 3.39Å |
| 317 | L | 96.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 125 | -175.6 | 177.5 | 62.1 | 0 | 0 | 0 | 110.2 | V17 L19 D20 Q91 N315 T319 V325 | V17-L317 HydrophobicContact CG1-CD1 4.04Å; L19-L317 WeakPolarHBondContact O-CA 3.5Å; D20-L317 HydrophobicContact CB-CD1 4.15Å; Q91-L317 HydrophobicContact CB-CB 4.33Å; Q91-L317 PolarHBondContact N-O 3.46Å; Q91-L317 PolarHBondContact O-N 2.84Å; N315-L317 PolarHBondContact O-N 3.15Å; L317-T319 HydrophobicContact CG-CG2 4.47Å; L317-V325 HydrophobicContact CD2-CB 4.39Å; L317-V325 HydrophobicContact CD2-CG2 3.67Å; L317-V325 HydrophobicContact CG-CG2 4.29Å |
| 318 | I | 97.7 | Very high | 92 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 119.1 | 174.8 | -56.3 | 171.2 | 0 | 0 | 0 | 108.3 | Y18 L19 L77 F81 L88 V89 L90 L109 V300 | Y18-I318 HydrophobicContact CD2-CG2 4.14Å; Y18-I318 PolarHBondContact N-O 3.2Å; L19-I318 HydrophobicContact CB-CB 4.18Å; L19-I318 HydrophobicContact CB-CD1 4.28Å; L19-I318 HydrophobicContact CB-CG1 4.36Å; L19-I318 HydrophobicContact CD2-CD1 4Å; L19-I318 PolarHBondContact N-O 3.26Å; L19-I318 PolarHBondContact O-N 3.34Å; L77-I318 HydrophobicContact CD2-CD1 3.56Å; F81-I318 HydrophobicContact CE1-CG2 3.77Å; F81-I318 HydrophobicContact CZ-CG2 3.69Å; L88-I318 HydrophobicContact CD1-CG2 4.27Å; V89-I318 VanDerWaalsContact O-CA 3.3Å; V89-I318 WeakPolarHBondContact O-CA 3.35Å; L90-I318 HydrophobicContact CD1-CD1 4.19Å; L90-I318 HydrophobicContact CD1-CG1 3.82Å; L109-I318 HydrophobicContact CD2-CD1 3.61Å; V300-I318 HydrophobicContact CB-CD1 4.28Å; V300-I318 HydrophobicContact CG2-CD1 4.36Å |
| 319 | T | 96.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 168.9 | -175.7 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | T16 V89 L317 D321 V325 | T16-T319 VanDerWaalsContact O-CA 3.28Å; T16-T319 WeakPolarHBondContact O-CA 3.31Å; T16-T319 WeakPolarHBondContact O-CB 3.49Å; T16-T319 PolarHBondContact O-OG1 3.03Å; V89-T319 HydrophobicContact CB-CG2 3.89Å; V89-T319 WeakPolarHBondContact CB-O 3.22Å; V89-T319 HydrophobicContact CG1-CG2 4.44Å; V89-T319 HydrophobicContact CG2-CG2 4.35Å; V89-T319 PolarHBondContact N-O 3.24Å; V89-T319 PolarHBondContact O-N 3.42Å; L317-T319 HydrophobicContact CG-CG2 4.47Å; T319-D321 WeakPolarHBondContact CG2-O 3.49Å; T319-D321 PolarHBondContact OG1-N 3.32Å; T319-V325 HydrophobicContact CG2-CG2 3.47Å; T319-V325 VanDerWaalsContact CG2-CG2 3.47Å |
| 320 | D | 94.6 | Very high | 91.2 | Very high | 28 Ų | 28 | 22.1 Ų | 22.1 | 15% | 0.15 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -100.1 | 3.9 | 168.2 | 59.7 | 9.1 | 0 | 0 | 0 | 114.3 | T16 Y18 K86 S87 | T16-D320 PolarHBondContact N-OD1 3.48Å; T16-D320 PolarHBondContact O-N 3.36Å; Y18-D320 HydrophobicContact CE2-CB 3.95Å; Y18-D320 PolarHBondContact OH-OD2 2.95Å; K86-D320 HydrophobicContact CB-CB 4.19Å; K86-D320 WeakPolarHBondContact CD-OD2 3.31Å; K86-D320 IonicContact NZ-OD2 3.29Å; K86-D320 PolarHBondContact NZ-OD2 3.08Å; S87-D320 VanDerWaalsContact O-CA 3.26Å; S87-D320 WeakPolarHBondContact O-CA 3.4Å; S87-D320 VanDerWaalsContact O-CB 3.23Å; S87-D320 WeakPolarHBondContact O-CB 3.47Å |
| 321 | D | 91.8 | Very high | 90.7 | Very high | 34 Ų | 34 | 24.8 Ų | 24.8 | 18% | 0.182 | 12% | 0.122 | C | C | . | . | trans | -114.8 | 113.7 | 179.9 | -178.6 | 20.3 | 0 | 0 | 0 | 113.4 | P15 T319 N323 H324 | P15-D321 HydrophobicContact CB-CB 3.26Å; P15-D321 VanDerWaalsContact CB-OD2 3.3Å; P15-D321 WeakPolarHBondContact CB-OD2 3.32Å; P15-D321 HydrophobicContact CG-CB 4.48Å; T319-D321 WeakPolarHBondContact CG2-O 3.49Å; T319-D321 PolarHBondContact OG1-N 3.32Å; D321-N323 VanDerWaalsContact C-N 3.32Å; D321-N323 PolarHBondContact O-N 3.41Å; D321-N323 WeakPolarHBondContact OD1-CB 3.45Å; D321-N323 PolarHBondContact OD1-N 3.43Å; D321-N323 PolarHBondContact OD1-ND2 3.09Å; D321-H324 HydrophobicContact CB-CB 4.08Å; D321-H324 PolarHBondContact O-N 2.84Å; D321-H324 PolarHBondContact OD2-N 3.31Å | ||
| 322 | T | 89.6 | Confident | 89.8 | Confident | 10 Ų | 10 | 27.3 Ų | 27.3 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.2 | -34.2 | 175.9 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | V89 I172 H324 V325 F326 | V89-T322 HydrophobicContact CG2-CG2 3.81Å; I172-T322 HydrophobicContact CD1-CG2 3.99Å; I172-T322 HydrophobicContact CG1-CG2 4.36Å; I172-T322 HydrophobicContact CG2-CG2 3.65Å; T322-H324 VanDerWaalsContact C-N 3.32Å; T322-H324 PolarHBondContact O-N 2.93Å; T322-V325 PolarHBondContact O-N 3.16Å; T322-F326 WeakPolarHBondContact O-CD2 3.06Å; T322-F326 WeakPolarHBondContact O-CE2 3.39Å; T322-F326 WeakPolarHBondContact O-CG 3.26Å; T322-F326 PolarHBondContact O-N 3.3Å |
| 323 | N | 86.8 | Confident | 88.7 | Confident | 40 Ų | 40 | 27.3 Ų | 27.3 | 21% | 0.214 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.2 | -35.7 | -179.2 | -64.4 | -64.7 | 0 | 0 | 0 | 111.9 | R269 D321 F326 K327 | R269-N323 PolarHBondContact O-ND2 2.89Å; D321-N323 VanDerWaalsContact C-N 3.32Å; D321-N323 PolarHBondContact O-N 3.41Å; D321-N323 WeakPolarHBondContact OD1-CB 3.45Å; D321-N323 PolarHBondContact OD1-N 3.43Å; D321-N323 PolarHBondContact OD1-ND2 3.09Å; N323-F326 PolarHBondContact O-N 2.82Å; N323-K327 WeakPolarHBondContact O-CB 3.49Å; N323-K327 PolarHBondContact O-N 2.84Å |
| 324 | H | 88 | Confident | 87.2 | Confident | 63 Ų | 63 | 29.8 Ų | 29.8 | 29% | 0.292 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.5 | -49.2 | 175.6 | -172.1 | 80 | 0 | 0 | 0 | 111.1 | D321 T322 K327 F328 | D321-H324 HydrophobicContact CB-CB 4.08Å; D321-H324 PolarHBondContact O-N 2.84Å; D321-H324 PolarHBondContact OD2-N 3.31Å; T322-H324 VanDerWaalsContact C-N 3.32Å; T322-H324 PolarHBondContact O-N 2.93Å; H324-K327 PolarHBondContact O-N 2.82Å; H324-F328 WeakPolarHBondContact O-CB 3.32Å; H324-F328 PolarHBondContact O-N 3.15Å |
| 325 | V | 89.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 178.6 | 178.8 | 0 | 0 | 0 | 0 | 112 | V89 Q91 T170 L317 T319 T322 K327 F328 D329 | V89-V325 HydrophobicContact CB-CG2 4.14Å; V89-V325 HydrophobicContact CG1-CB 4.11Å; V89-V325 HydrophobicContact CG1-CG1 4.2Å; V89-V325 HydrophobicContact CG1-CG2 3.4Å; Q91-V325 HydrophobicContact CB-CG1 4.2Å; Q91-V325 HydrophobicContact CG-CG1 4.42Å; T170-V325 HydrophobicContact CG2-CG1 3.94Å; L317-V325 HydrophobicContact CD2-CB 4.39Å; L317-V325 HydrophobicContact CD2-CG2 3.67Å; L317-V325 HydrophobicContact CG-CG2 4.29Å; T319-V325 HydrophobicContact CG2-CG2 3.47Å; T319-V325 VanDerWaalsContact CG2-CG2 3.47Å; T322-V325 PolarHBondContact O-N 3.16Å; V325-K327 VanDerWaalsContact C-N 3.31Å; V325-K327 PolarHBondContact O-N 2.8Å; V325-F328 WeakPolarHBondContact O-CB 3.16Å; V325-F328 PolarHBondContact O-N 3.31Å; V325-F328 VanDerWaalsContact O-N 3.16Å; V325-D329 PolarHBondContact O-N 2.82Å |
| 326 | F | 85.6 | Confident | 85.1 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 2% | 0.022 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 179.6 | -60.3 | -34 | 0 | 0 | 0 | 113.2 | I172 N185 R267 T322 N323 D329 E330 | I172-F326 HydrophobicContact CD1-CE1 3.83Å; I172-F326 HydrophobicContact CD1-CZ 3.7Å; N185-F326 VanDerWaalsContact OD1-CD1 3.23Å; N185-F326 WeakPolarHBondContact OD1-CD1 3.14Å; R267-F326 VanDerWaalsContact CZ-CB 3.46Å; R267-F326 VanDerWaalsContact CZ-CG 3.48Å; T322-F326 WeakPolarHBondContact O-CD2 3.06Å; T322-F326 WeakPolarHBondContact O-CE2 3.39Å; T322-F326 WeakPolarHBondContact O-CG 3.26Å; T322-F326 PolarHBondContact O-N 3.3Å; N323-F326 PolarHBondContact O-N 2.82Å; F326-D329 PolarHBondContact O-N 2.82Å; F326-E330 WeakPolarHBondContact O-CB 3.36Å; F326-E330 VanDerWaalsContact O-CG 3.31Å; F326-E330 WeakPolarHBondContact O-CG 3.13Å; F326-E330 PolarHBondContact O-N 2.91Å |
| 327 | K | 82.6 | Confident | 84.4 | Confident | 130 Ų | 130 | 42.6 Ų | 42.6 | 57% | 0.565 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -66.4 | -41.7 | 175.1 | -176.4 | 178.1 | 176.9 | -170.8 | 0 | 110.6 | N323 H324 V325 D329 E330 D331 | N323-K327 WeakPolarHBondContact O-CB 3.49Å; N323-K327 PolarHBondContact O-N 2.84Å; H324-K327 PolarHBondContact O-N 2.82Å; V325-K327 VanDerWaalsContact C-N 3.31Å; V325-K327 PolarHBondContact O-N 2.8Å; K327-D329 VanDerWaalsContact C-N 3.32Å; K327-D329 PolarHBondContact O-N 2.84Å; K327-E330 PolarHBondContact O-N 2.8Å; K327-D331 WeakPolarHBondContact CE-OD2 3.31Å; K327-D331 WeakPolarHBondContact CG-OD2 3.44Å; K327-D331 WeakPolarHBondContact O-CB 3.48Å; K327-D331 PolarHBondContact O-N 3.05Å |
| 328 | F | 85.4 | Confident | 83.8 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 6% | 0.057 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.9 | -46.7 | 175.2 | 177.9 | -84.2 | 0 | 0 | 0 | 111.8 | F168 N315 H324 V325 D331 N332 | F168-F328 HydrophobicContact CE1-CD1 4.27Å; F168-F328 AromaticContact CE1-CE1 3.55Å; F168-F328 HydrophobicContact CE1-CE1 3.55Å; F168-F328 AromaticContact CZ-CE1 3.9Å; F168-F328 HydrophobicContact CZ-CE1 3.9Å; N315-F328 HydrophobicContact CB-CE1 4.25Å; N315-F328 HydrophobicContact CB-CZ 4.17Å; N315-F328 WeakPolarHBondContact OD1-CZ 3.35Å; H324-F328 WeakPolarHBondContact O-CB 3.32Å; H324-F328 PolarHBondContact O-N 3.15Å; V325-F328 WeakPolarHBondContact O-CB 3.16Å; V325-F328 PolarHBondContact O-N 3.31Å; V325-F328 VanDerWaalsContact O-N 3.16Å; F328-D331 PolarHBondContact O-N 2.9Å; F328-N332 WeakPolarHBondContact CD2-ND2 3.39Å; F328-N332 HydrophobicContact CE1-CB 4.44Å; F328-N332 WeakPolarHBondContact CE2-ND2 3.32Å; F328-N332 HydrophobicContact CZ-CB 4.31Å; F328-N332 WeakPolarHBondContact O-CB 3.33Å; F328-N332 PolarHBondContact O-N 2.74Å; F328-N332 PolarHBondContact O-ND2 3.22Å |
| 329 | D | 85.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -65.1 | -41.4 | 178 | -67.1 | -11.6 | 0 | 0 | 0 | 112.6 | Q91 N185 F257 V325 F326 K327 F333 | Q91-D329 PolarHBondContact NE2-OD1 3.25Å; Q91-D329 PolarHBondContact OE1-OD1 2.77Å; Q91-D329 PolarHBondContact OE1-OD2 2.98Å; N185-D329 HydrophobicContact CB-CB 4.02Å; N185-D329 WeakPolarHBondContact CB-OD2 3.26Å; F257-D329 HydrophobicContact CZ-CB 4.46Å; V325-D329 PolarHBondContact O-N 2.82Å; F326-D329 PolarHBondContact O-N 2.82Å; K327-D329 VanDerWaalsContact C-N 3.32Å; K327-D329 PolarHBondContact O-N 2.84Å; D329-F333 WeakPolarHBondContact O-CB 3.34Å; D329-F333 PolarHBondContact O-N 3.11Å |
| 330 | E | 78.8 | Confident | 83.3 | Confident | 67 Ų | 67 | 52.6 Ų | 52.6 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -65.7 | -40.1 | 178.7 | -76.8 | 173.7 | -162.3 | 0 | 0 | 112 | F257 R267 F326 K327 | F257-E330 HydrophobicContact CE1-CG 4.19Å; R267-E330 IonicContact CZ-OE1 3.1Å; R267-E330 IonicContact NE-OE1 3.99Å; R267-E330 PolarHBondContact NE-OE1 3.4Å; R267-E330 IonicContact NH2-OE1 2.68Å; R267-E330 PolarHBondContact NH2-OE1 2.82Å; F326-E330 WeakPolarHBondContact O-CB 3.36Å; F326-E330 VanDerWaalsContact O-CG 3.31Å; F326-E330 WeakPolarHBondContact O-CG 3.13Å; F326-E330 PolarHBondContact O-N 2.91Å; K327-E330 PolarHBondContact O-N 2.8Å |
| 331 | D | 79.9 | Confident | 83.1 | Confident | 96 Ų | 96 | 56 Ų | 56 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -79.4 | -38.9 | -176.3 | -71.9 | -17.1 | 0 | 0 | 0 | 112.4 | K327 F328 | K327-D331 WeakPolarHBondContact CE-OD2 3.31Å; K327-D331 WeakPolarHBondContact CG-OD2 3.44Å; K327-D331 WeakPolarHBondContact O-CB 3.48Å; K327-D331 PolarHBondContact O-N 3.05Å; F328-D331 PolarHBondContact O-N 2.9Å |
| 332 | N | 75.9 | Confident | 83.1 | Confident | 53 Ų | 53 | 57.7 Ų | 57.7 | 28% | 0.283 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -104.6 | -61.7 | -170.5 | -58.4 | -74.5 | 0 | 0 | 0 | 112.6 | F328 M334 L336 | F328-N332 WeakPolarHBondContact CD2-ND2 3.39Å; F328-N332 HydrophobicContact CE1-CB 4.44Å; F328-N332 WeakPolarHBondContact CE2-ND2 3.32Å; F328-N332 HydrophobicContact CZ-CB 4.31Å; F328-N332 WeakPolarHBondContact O-CB 3.33Å; F328-N332 PolarHBondContact O-N 2.74Å; F328-N332 PolarHBondContact O-ND2 3.22Å; N332-M334 PolarHBondContact O-N 3.16Å; N332-L336 WeakPolarHBondContact O-CD1 3.38Å; N332-L336 WeakPolarHBondContact O-CG 3.2Å; N332-L336 PolarHBondContact O-N 2.85Å |
| 333 | F | 73.4 | Confident | 83.2 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -62.2 | -44.7 | -164.3 | 176.3 | -120.6 | 0 | 0 | 0 | 112.9 | T166 F168 D184 F257 D329 R335 L336 R337 | T166-F333 HydrophobicContact CG2-CE2 4.25Å; T166-F333 WeakPolarHBondContact O-CE2 3.41Å; T166-F333 VanDerWaalsContact O-CZ 3.27Å; T166-F333 WeakPolarHBondContact O-CZ 3.43Å; F168-F333 HydrophobicContact CD2-CB 3.95Å; F168-F333 HydrophobicContact CD2-CD1 4.09Å; F168-F333 AromaticContact CD2-CD2 3.13Å; F168-F333 HydrophobicContact CD2-CD2 3.13Å; F168-F333 HydrophobicContact CD2-CE1 4.36Å; F168-F333 AromaticContact CD2-CE2 3.43Å; F168-F333 HydrophobicContact CD2-CE2 3.43Å; F168-F333 VanDerWaalsContact CD2-CE2 3.43Å; F168-F333 AromaticContact CD2-CG 3.44Å; F168-F333 HydrophobicContact CD2-CG 3.44Å; F168-F333 VanDerWaalsContact CD2-CG 3.44Å; F168-F333 HydrophobicContact CD2-CZ 4.03Å; F168-F333 HydrophobicContact CE2-CB 3.8Å; F168-F333 AromaticContact CE2-CD2 3.12Å; F168-F333 HydrophobicContact CE2-CD2 3.12Å; F168-F333 AromaticContact CE2-CE2 3.76Å; F168-F333 HydrophobicContact CE2-CE2 3.76Å; F168-F333 AromaticContact CE2-CG 3.63Å; F168-F333 HydrophobicContact CE2-CG 3.63Å; F168-F333 HydrophobicContact CG-CD2 4.35Å; F168-F333 HydrophobicContact CG-CG 4.33Å; F168-F333 HydrophobicContact CZ-CB 4.37Å; F168-F333 HydrophobicContact CZ-CD2 4.33Å; D184-F333 HydrophobicContact CB-CE1 3.68Å; D184-F333 HydrophobicContact CB-CZ 4.33Å; D184-F333 WeakPolarHBondContact OD1-CE1 3.13Å; D184-F333 VanDerWaalsContact OD1-CZ 3.27Å; D184-F333 WeakPolarHBondContact OD1-CZ 3.3Å; F257-F333 HydrophobicContact CE2-CD1 4.43Å; D329-F333 WeakPolarHBondContact O-CB 3.34Å; D329-F333 PolarHBondContact O-N 3.11Å; F333-R335 PolarHBondContact O-N 3.2Å; F333-L336 PolarHBondContact O-N 2.97Å; F333-R337 HydrophobicContact CE2-CB 4.38Å; F333-R337 HydrophobicContact CZ-CB 4.46Å; F333-R337 HydrophobicContact CZ-CG 4.44Å; F333-R337 PolarHBondContact O-N 3.1Å |
| 334 | M | 64.9 | Low | 83.5 | Confident | 53 Ų | 53 | 58.3 Ų | 58.3 | 26% | 0.261 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.5 | -38.8 | -169.5 | -79.9 | -54.8 | -58.2 | 0 | 0 | 114.6 | F257 N332 L336 | F257-M334 HydrophobicContact CB-CE 3.18Å; F257-M334 HydrophobicContact CB-CG 4.29Å; F257-M334 HydrophobicContact CB-SD 3.55Å; F257-M334 VanDerWaalsContact CB-SD 3.55Å; F257-M334 HydrophobicContact CD1-CE 4.09Å; F257-M334 HydrophobicContact CD1-CG 3.44Å; F257-M334 VanDerWaalsContact CD1-CG 3.44Å; F257-M334 HydrophobicContact CD1-SD 3.78Å; F257-M334 HydrophobicContact CD2-CE 3.93Å; F257-M334 HydrophobicContact CD2-CG 3.62Å; F257-M334 HydrophobicContact CD2-SD 2.98Å; F257-M334 WeakPolarHBondContact CD2-SD 3.24Å; F257-M334 HydrophobicContact CE1-CG 3.39Å; F257-M334 HydrophobicContact CE1-SD 4.15Å; F257-M334 HydrophobicContact CE2-CG 3.46Å; F257-M334 VanDerWaalsContact CE2-CG 3.46Å; F257-M334 HydrophobicContact CE2-SD 3.32Å; F257-M334 WeakPolarHBondContact CE2-SD 3.33Å; F257-M334 HydrophobicContact CG-CE 3.55Å; F257-M334 HydrophobicContact CG-CG 3.58Å; F257-M334 HydrophobicContact CG-SD 3.2Å; F257-M334 WeakPolarHBondContact CG-SD 3.12Å; F257-M334 HydrophobicContact CZ-CG 3.36Å; F257-M334 HydrophobicContact CZ-SD 3.92Å; N332-M334 PolarHBondContact O-N 3.16Å; M334-L336 VanDerWaalsContact C-N 3.33Å |
| 335 | R | 69.7 | Low | 83.8 | Confident | 193 Ų | 193 | 59.6 Ų | 59.6 | 73% | 0.728 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -69 | -38.1 | 175.7 | 179.6 | -179.8 | 161.2 | 179.6 | -7 | 110.7 | F333 I339 | F333-R335 PolarHBondContact O-N 3.2Å; R335-I339 HydrophobicContact CG-CD1 4.33Å; R335-I339 WeakPolarHBondContact O-CD1 3.33Å; R335-I339 WeakPolarHBondContact O-CG1 3.29Å |
| 336 | L | 77.6 | Confident | 84 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.6 | -38.6 | -176.3 | -65.4 | 171.8 | 0 | 0 | 0 | 111.7 | A54 D55 I58 N332 F333 M334 E338 I339 E340 | A54-L336 HydrophobicContact CB-CB 3.8Å; A54-L336 HydrophobicContact CB-CD2 3.69Å; A54-L336 HydrophobicContact CB-CG 4.33Å; A54-L336 VanDerWaalsContact CB-O 3.24Å; A54-L336 WeakPolarHBondContact CB-O 3.15Å; D55-L336 HydrophobicContact CB-CD2 4.38Å; I58-L336 HydrophobicContact CG2-CD1 4.43Å; N332-L336 WeakPolarHBondContact O-CD1 3.38Å; N332-L336 WeakPolarHBondContact O-CG 3.2Å; N332-L336 PolarHBondContact O-N 2.85Å; F333-L336 PolarHBondContact O-N 2.97Å; M334-L336 VanDerWaalsContact C-N 3.33Å; L336-E338 VanDerWaalsContact C-N 3.34Å; L336-E338 PolarHBondContact O-N 3.06Å; L336-I339 PolarHBondContact O-N 2.87Å; L336-I339 VanDerWaalsContact O-N 3.08Å; L336-E340 WeakPolarHBondContact O-CB 3.17Å; L336-E340 PolarHBondContact O-N 2.79Å |
| 337 | R | 82.9 | Confident | 84.4 | Confident | 69 Ų | 69 | 70.3 Ų | 70.3 | 26% | 0.26 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.2 | -42.7 | -178.5 | -170.9 | 176.9 | -176 | 168.6 | 2.9 | 113.7 | H167 D184 F333 I339 E340 K341 | H167-R337 PolarHBondContact CE1-NH2 2.85Å; D184-R337 IonicContact OD2-CZ 2.78Å; D184-R337 IonicContact OD2-NH1 3.44Å; D184-R337 PolarHBondContact OD2-NH1 3.02Å; D184-R337 IonicContact OD2-NH2 3.49Å; F333-R337 HydrophobicContact CE2-CB 4.38Å; F333-R337 HydrophobicContact CZ-CB 4.46Å; F333-R337 HydrophobicContact CZ-CG 4.44Å; F333-R337 PolarHBondContact O-N 3.1Å; R337-I339 VanDerWaalsContact C-N 3.34Å; R337-E340 PolarHBondContact O-N 2.75Å; R337-K341 WeakPolarHBondContact O-CB 3.09Å; R337-K341 PolarHBondContact O-N 2.76Å |
| 338 | E | 83.5 | Confident | 84.9 | Confident | 139 Ų | 139 | 67.3 Ų | 67.3 | 65% | 0.65 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -69.4 | -34.3 | 179.5 | -170.3 | 163.9 | -167.4 | 0 | 0 | 112 | L336 N342 | L336-E338 VanDerWaalsContact C-N 3.34Å; L336-E338 PolarHBondContact O-N 3.06Å; E338-N342 WeakPolarHBondContact O-CB 3.38Å; E338-N342 VanDerWaalsContact O-CG 3.3Å; E338-N342 PolarHBondContact O-N 3.25Å; E338-N342 PolarHBondContact O-ND2 3.27Å |
| 339 | I | 90.9 | Very high | 85.4 | Confident | 70 Ų | 70 | 70.9 Ų | 70.9 | 36% | 0.359 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.7 | -46.2 | 174.7 | -58.8 | 169.9 | 0 | 0 | 0 | 110 | A54 R335 L336 R337 K341 N342 M343 | A54-I339 HydrophobicContact CB-CB 3.86Å; A54-I339 HydrophobicContact CB-CG2 3.96Å; R335-I339 HydrophobicContact CG-CD1 4.33Å; R335-I339 WeakPolarHBondContact O-CD1 3.33Å; R335-I339 WeakPolarHBondContact O-CG1 3.29Å; L336-I339 PolarHBondContact O-N 2.87Å; L336-I339 VanDerWaalsContact O-N 3.08Å; R337-I339 VanDerWaalsContact C-N 3.34Å; I339-K341 VanDerWaalsContact C-N 3.33Å; I339-K341 PolarHBondContact O-N 2.79Å; I339-N342 PolarHBondContact O-N 2.91Å; I339-M343 WeakPolarHBondContact O-CB 3.5Å; I339-M343 PolarHBondContact O-N 3.15Å |
| 340 | E | 91.7 | Very high | 85.8 | Confident | 4 Ų | 4 | 75.9 Ų | 75.9 | 2% | 0.019 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.5 | -47.1 | 176.3 | -177.6 | -175.9 | -120.6 | 0 | 0 | 110.9 | F52 A54 K95 Y165 T166 L336 R337 M343 K344 | F52-E340 HydrophobicContact CD2-CG 3.63Å; F52-E340 HydrophobicContact CE2-CG 3.62Å; A54-E340 HydrophobicContact CB-CB 4.17Å; K95-E340 WeakPolarHBondContact CE-OE1 3.42Å; K95-E340 IonicContact NZ-OE1 3.27Å; K95-E340 PolarHBondContact NZ-OE1 2.79Å; Y165-E340 HydrophobicContact CD1-CG 4.45Å; T166-E340 PolarHBondContact N-OE2 3.25Å; T166-E340 PolarHBondContact OG1-OE1 3.44Å; L336-E340 WeakPolarHBondContact O-CB 3.17Å; L336-E340 PolarHBondContact O-N 2.79Å; R337-E340 PolarHBondContact O-N 2.75Å; E340-M343 PolarHBondContact O-N 3.29Å; E340-K344 PolarHBondContact O-N 3.19Å |
| 341 | K | 90.7 | Very high | 86.6 | Confident | 99 Ų | 99 | 77 Ų | 77 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 177.3 | -174.3 | 176.4 | -179.9 | 179.4 | 0 | 111.9 | Y165 R337 I339 M343 K344 E345 | Y165-K341 HydrophobicContact CE1-CB 4.09Å; Y165-K341 HydrophobicContact CE1-CG 4.09Å; R337-K341 WeakPolarHBondContact O-CB 3.09Å; R337-K341 PolarHBondContact O-N 2.76Å; I339-K341 VanDerWaalsContact C-N 3.33Å; I339-K341 PolarHBondContact O-N 2.79Å; K341-M343 VanDerWaalsContact C-N 3.29Å; K341-M343 PolarHBondContact O-N 2.89Å; K341-K344 PolarHBondContact O-N 2.88Å; K341-E345 VanDerWaalsContact CE-OE1 3.26Å; K341-E345 WeakPolarHBondContact CE-OE1 3.41Å; K341-E345 WeakPolarHBondContact O-CG 3.23Å; K341-E345 PolarHBondContact O-N 2.9Å |
| 342 | N | 92 | Very high | 87.4 | Confident | 69 Ų | 69 | 80.9 Ų | 80.9 | 37% | 0.369 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 176.6 | -78.8 | -49.8 | 0 | 0 | 0 | 112.2 | E338 I339 R346 | E338-N342 WeakPolarHBondContact O-CB 3.38Å; E338-N342 VanDerWaalsContact O-CG 3.3Å; E338-N342 PolarHBondContact O-N 3.25Å; E338-N342 PolarHBondContact O-ND2 3.27Å; I339-N342 PolarHBondContact O-N 2.91Å; N342-R346 WeakPolarHBondContact O-CB 3.23Å; N342-R346 VanDerWaalsContact O-CG 3.22Å; N342-R346 WeakPolarHBondContact O-CG 3.41Å; N342-R346 PolarHBondContact O-N 3.32Å; N342-R346 VanDerWaalsContact O-N 3.1Å |
| 343 | M | 92.8 | Very high | 88.4 | Confident | 51 Ų | 51 | 82.7 Ų | 82.7 | 25% | 0.251 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 175.6 | 179.5 | 148.1 | 172.1 | 0 | 0 | 111.3 | F52 Y53 I339 E340 K341 R346 M347 | F52-M343 HydrophobicContact CB-CG 4.29Å; Y53-M343 HydrophobicContact CD1-CE 3.99Å; Y53-M343 HydrophobicContact CD2-CE 4.15Å; Y53-M343 HydrophobicContact CD2-SD 4.07Å; Y53-M343 HydrophobicContact CE1-CE 3.63Å; Y53-M343 HydrophobicContact CE2-CE 3.8Å; Y53-M343 HydrophobicContact CE2-SD 4.08Å; Y53-M343 HydrophobicContact CG-CE 4.26Å; Y53-M343 HydrophobicContact CG-SD 4.4Å; Y53-M343 WeakPolarHBondContact O-CB 3.47Å; I339-M343 WeakPolarHBondContact O-CB 3.5Å; I339-M343 PolarHBondContact O-N 3.15Å; E340-M343 PolarHBondContact O-N 3.29Å; K341-M343 VanDerWaalsContact C-N 3.29Å; K341-M343 PolarHBondContact O-N 2.89Å; M343-R346 PolarHBondContact O-N 2.82Å; M343-M347 HydrophobicContact CE-SD 4Å; M343-M347 HydrophobicContact CG-SD 4.22Å; M343-M347 WeakPolarHBondContact O-CB 3.45Å; M343-M347 WeakPolarHBondContact O-CG 3.28Å; M343-M347 PolarHBondContact O-N 3.35Å |
| 344 | K | 93.1 | Very high | 89.5 | Confident | 13 Ų | 13 | 88.4 Ų | 88.4 | 6% | 0.057 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.8 | -48 | 177 | -175.4 | 52.4 | 159.7 | 73 | 0 | 112.2 | F52 E164 Y165 E340 K341 R346 M347 D348 | F52-K344 HydrophobicContact CD1-CD 3.68Å; F52-K344 HydrophobicContact CD2-CB 3.71Å; F52-K344 HydrophobicContact CD2-CD 4.1Å; F52-K344 HydrophobicContact CD2-CG 4.23Å; F52-K344 HydrophobicContact CE1-CD 3.66Å; F52-K344 VanDerWaalsContact CE1-CE 3.49Å; F52-K344 HydrophobicContact CE1-CG 4.38Å; F52-K344 HydrophobicContact CE2-CB 3.78Å; F52-K344 HydrophobicContact CE2-CD 4.07Å; F52-K344 HydrophobicContact CE2-CG 3.99Å; F52-K344 HydrophobicContact CG-CB 4.22Å; F52-K344 HydrophobicContact CG-CD 3.87Å; F52-K344 HydrophobicContact CZ-CB 4.33Å; F52-K344 HydrophobicContact CZ-CD 3.82Å; F52-K344 HydrophobicContact CZ-CG 4.03Å; E164-K344 WeakPolarHBondContact OE2-CE 3.27Å; E164-K344 IonicContact OE2-NZ 3.62Å; E164-K344 PolarHBondContact OE2-NZ 3.3Å; Y165-K344 HydrophobicContact CE1-CB 4.03Å; Y165-K344 HydrophobicContact CE1-CG 4.16Å; E340-K344 PolarHBondContact O-N 3.19Å; K341-K344 PolarHBondContact O-N 2.88Å; K344-R346 VanDerWaalsContact C-N 3.33Å; K344-R346 PolarHBondContact O-N 3.28Å; K344-M347 WeakPolarHBondContact O-CB 3.45Å; K344-M347 PolarHBondContact O-N 3.1Å; K344-M347 VanDerWaalsContact O-N 3.12Å; K344-D348 IonicContact NZ-OD1 3.39Å; K344-D348 PolarHBondContact NZ-OD1 3.21Å; K344-D348 IonicContact NZ-OD2 2.74Å; K344-D348 PolarHBondContact NZ-OD2 3.14Å; K344-D348 PolarHBondContact O-N 2.82Å |
| 345 | E | 93.5 | Very high | 91 | Very high | 90 Ų | 90 | 93.5 Ų | 93.5 | 42% | 0.421 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 178.4 | -73.4 | 178.4 | -174.5 | 0 | 0 | 111.5 | K341 M347 D348 V349 | K341-E345 VanDerWaalsContact CE-OE1 3.26Å; K341-E345 WeakPolarHBondContact CE-OE1 3.41Å; K341-E345 WeakPolarHBondContact O-CG 3.23Å; K341-E345 PolarHBondContact O-N 2.9Å; E345-M347 VanDerWaalsContact C-N 3.35Å; E345-M347 PolarHBondContact O-N 2.91Å; E345-D348 PolarHBondContact O-N 3.14Å; E345-V349 VanDerWaalsContact O-CG2 3.32Å; E345-V349 WeakPolarHBondContact O-CG2 3.44Å; E345-V349 PolarHBondContact O-N 3.36Å |
| 346 | R | 94 | Very high | 92.3 | Very high | 193 Ų | 193 | 88.2 Ų | 88.2 | 73% | 0.728 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.3 | -44.2 | 174.7 | -72.3 | 171.3 | -175.1 | -167.1 | 3.2 | 111.8 | N342 M343 K344 V349 Q350 | N342-R346 WeakPolarHBondContact O-CB 3.23Å; N342-R346 VanDerWaalsContact O-CG 3.22Å; N342-R346 WeakPolarHBondContact O-CG 3.41Å; N342-R346 PolarHBondContact O-N 3.32Å; N342-R346 VanDerWaalsContact O-N 3.1Å; M343-R346 PolarHBondContact O-N 2.82Å; K344-R346 VanDerWaalsContact C-N 3.33Å; K344-R346 PolarHBondContact O-N 3.28Å; R346-V349 PolarHBondContact O-N 3.1Å; R346-Q350 WeakPolarHBondContact O-CB 3.21Å; R346-Q350 PolarHBondContact O-N 3.1Å |
| 347 | M | 93 | Very high | 93.2 | Very high | 37 Ų | 37 | 90.9 Ų | 90.9 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 178.4 | -76.3 | -175.2 | 58.3 | 0 | 0 | 112.3 | D51 F52 M343 K344 E345 Q350 K351 | D51-M347 WeakPolarHBondContact O-CE 3.23Å; F52-M347 HydrophobicContact CB-CE 4.41Å; F52-M347 HydrophobicContact CB-SD 3.56Å; F52-M347 VanDerWaalsContact CB-SD 3.56Å; M343-M347 HydrophobicContact CE-SD 4Å; M343-M347 HydrophobicContact CG-SD 4.22Å; M343-M347 WeakPolarHBondContact O-CB 3.45Å; M343-M347 WeakPolarHBondContact O-CG 3.28Å; M343-M347 PolarHBondContact O-N 3.35Å; K344-M347 WeakPolarHBondContact O-CB 3.45Å; K344-M347 PolarHBondContact O-N 3.1Å; K344-M347 VanDerWaalsContact O-N 3.12Å; E345-M347 VanDerWaalsContact C-N 3.35Å; E345-M347 PolarHBondContact O-N 2.91Å; M347-Q350 PolarHBondContact O-N 3.47Å; M347-K351 WeakPolarHBondContact O-CB 3.49Å; M347-K351 WeakPolarHBondContact O-CG 3.35Å; M347-K351 PolarHBondContact O-N 3.44Å |
| 348 | D | 93.2 | Very high | 93.9 | Very high | 66 Ų | 66 | 96 Ų | 96 | 35% | 0.353 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 178.9 | -73.5 | -18.6 | 0 | 0 | 0 | 111.7 | K344 E345 Q350 K351 R352 | K344-D348 IonicContact NZ-OD1 3.39Å; K344-D348 PolarHBondContact NZ-OD1 3.21Å; K344-D348 IonicContact NZ-OD2 2.74Å; K344-D348 PolarHBondContact NZ-OD2 3.14Å; K344-D348 PolarHBondContact O-N 2.82Å; E345-D348 PolarHBondContact O-N 3.14Å; D348-Q350 VanDerWaalsContact C-N 3.33Å; D348-Q350 PolarHBondContact O-N 2.95Å; D348-K351 PolarHBondContact O-N 3.04Å; D348-R352 WeakPolarHBondContact O-CB 3.32Å; D348-R352 PolarHBondContact O-N 3.18Å |
| 349 | V | 95.9 | Very high | 94.6 | Very high | 88 Ų | 88 | 93.3 Ų | 93.3 | 53% | 0.533 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 172.1 | 171 | 0 | 0 | 0 | 0 | 110.4 | E345 R346 R352 I353 | E345-V349 VanDerWaalsContact O-CG2 3.32Å; E345-V349 WeakPolarHBondContact O-CG2 3.44Å; E345-V349 PolarHBondContact O-N 3.36Å; R346-V349 PolarHBondContact O-N 3.1Å; V349-R352 PolarHBondContact O-N 3.24Å; V349-I353 HydrophobicContact CG1-CD1 3.85Å; V349-I353 HydrophobicContact CG1-CG1 4.5Å; V349-I353 WeakPolarHBondContact O-CG1 3.17Å; V349-I353 PolarHBondContact O-N 2.52Å |
| 350 | Q | 95.2 | Very high | 94.9 | Very high | 106 Ų | 106 | 99.7 Ų | 99.7 | 50% | 0.495 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 178.4 | -162.7 | -172 | 24.4 | 0 | 0 | 112.2 | R346 M347 D348 R352 I353 K354 | R346-Q350 WeakPolarHBondContact O-CB 3.21Å; R346-Q350 PolarHBondContact O-N 3.1Å; M347-Q350 PolarHBondContact O-N 3.47Å; D348-Q350 VanDerWaalsContact C-N 3.33Å; D348-Q350 PolarHBondContact O-N 2.95Å; Q350-R352 VanDerWaalsContact C-N 3.33Å; Q350-R352 PolarHBondContact O-N 3.45Å; Q350-I353 PolarHBondContact O-N 3.17Å; Q350-K354 HydrophobicContact CG-CD 4.48Å; Q350-K354 WeakPolarHBondContact O-CB 3.38Å; Q350-K354 WeakPolarHBondContact O-CG 3.47Å; Q350-K354 PolarHBondContact O-N 2.91Å |
| 351 | K | 94.5 | Very high | 95.1 | Very high | 91 Ų | 91 | 106.2 Ų | 106.2 | 40% | 0.396 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 174.4 | -77.7 | 175.6 | -179.5 | 176.1 | 0 | 110.6 | M347 D348 K354 R355 | M347-K351 WeakPolarHBondContact O-CB 3.49Å; M347-K351 WeakPolarHBondContact O-CG 3.35Å; M347-K351 PolarHBondContact O-N 3.44Å; D348-K351 PolarHBondContact O-N 3.04Å; K351-K354 PolarHBondContact O-N 2.88Å; K351-R355 WeakPolarHBondContact O-CB 3.31Å; K351-R355 PolarHBondContact O-N 3.03Å |
| 352 | R | 96.2 | Very high | 95.4 | Very high | 176 Ų | 176 | 105 Ų | 105 | 66% | 0.664 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64 | -45.2 | 177.2 | -171.3 | 176.1 | -178.5 | -176 | -0.4 | 112.2 | D348 V349 Q350 R355 N356 | D348-R352 WeakPolarHBondContact O-CB 3.32Å; D348-R352 PolarHBondContact O-N 3.18Å; V349-R352 PolarHBondContact O-N 3.24Å; Q350-R352 VanDerWaalsContact C-N 3.33Å; Q350-R352 PolarHBondContact O-N 3.45Å; R352-R355 PolarHBondContact O-N 2.7Å; R352-N356 VanDerWaalsContact O-CG 3.25Å; R352-N356 PolarHBondContact O-N 2.75Å; R352-N356 PolarHBondContact O-OD1 2.93Å |
| 353 | I | 97.3 | Very high | 95.7 | Very high | 92 Ų | 92 | 104.5 Ų | 104.5 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 175.9 | -68.3 | 167.6 | 0 | 0 | 0 | 110.7 | V349 Q350 R355 N356 I357 | V349-I353 HydrophobicContact CG1-CD1 3.85Å; V349-I353 HydrophobicContact CG1-CG1 4.5Å; V349-I353 WeakPolarHBondContact O-CG1 3.17Å; V349-I353 PolarHBondContact O-N 2.52Å; Q350-I353 PolarHBondContact O-N 3.17Å; I353-R355 VanDerWaalsContact C-N 3.33Å; I353-R355 PolarHBondContact O-N 3.11Å; I353-N356 PolarHBondContact O-N 2.96Å; I353-I357 HydrophobicContact CG2-CD1 3.85Å; I353-I357 WeakPolarHBondContact O-CG1 3.2Å; I353-I357 PolarHBondContact O-N 3.43Å |
| 354 | K | 97 | Very high | 95.9 | Very high | 126 Ų | 126 | 106.2 Ų | 106.2 | 55% | 0.548 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 177.7 | -76 | 175.5 | 179.3 | 172.5 | 0 | 112.1 | Q350 K351 I357 R358 | Q350-K354 HydrophobicContact CG-CD 4.48Å; Q350-K354 WeakPolarHBondContact O-CB 3.38Å; Q350-K354 WeakPolarHBondContact O-CG 3.47Å; Q350-K354 PolarHBondContact O-N 2.91Å; K351-K354 PolarHBondContact O-N 2.88Å; K354-I357 PolarHBondContact O-N 3.27Å; K354-R358 WeakPolarHBondContact O-CB 2.97Å; K354-R358 PolarHBondContact O-N 3.26Å |
| 355 | R | 96.8 | Very high | 96.1 | Very high | 159 Ų | 159 | 112.4 Ų | 112.4 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -50.8 | 175 | -170.6 | -174.7 | -62.9 | 158.2 | 0.3 | 111 | K351 R352 I353 I357 R358 D359 | K351-R355 WeakPolarHBondContact O-CB 3.31Å; K351-R355 PolarHBondContact O-N 3.03Å; R352-R355 PolarHBondContact O-N 2.7Å; I353-R355 VanDerWaalsContact C-N 3.33Å; I353-R355 PolarHBondContact O-N 3.11Å; R355-I357 VanDerWaalsContact C-N 3.31Å; R355-I357 PolarHBondContact O-N 2.85Å; R355-R358 WeakPolarHBondContact O-CB 3.32Å; R355-R358 PolarHBondContact O-N 3.15Å; R355-D359 VanDerWaalsContact O-CG 3.27Å; R355-D359 PolarHBondContact O-N 3.16Å |
| 356 | N | 96.8 | Very high | 96.2 | Very high | 83 Ų | 83 | 117 Ų | 117 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.5 | -40.2 | 178.3 | -69.8 | -8.3 | 0 | 0 | 0 | 112.7 | R352 I353 R360 | R352-N356 VanDerWaalsContact O-CG 3.25Å; R352-N356 PolarHBondContact O-N 2.75Å; R352-N356 PolarHBondContact O-OD1 2.93Å; I353-N356 PolarHBondContact O-N 2.96Å; N356-R360 WeakPolarHBondContact O-CB 3.44Å; N356-R360 WeakPolarHBondContact O-CG 3.09Å; N356-R360 PolarHBondContact O-N 3.26Å |
| 357 | I | 97.3 | Very high | 96.3 | Very high | 88 Ų | 88 | 115.4 Ų | 115.4 | 45% | 0.451 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 175.4 | -68.2 | 168.5 | 0 | 0 | 0 | 110.9 | I353 K354 R355 K361 | I353-I357 HydrophobicContact CG2-CD1 3.85Å; I353-I357 WeakPolarHBondContact O-CG1 3.2Å; I353-I357 PolarHBondContact O-N 3.43Å; K354-I357 PolarHBondContact O-N 3.27Å; R355-I357 VanDerWaalsContact C-N 3.31Å; R355-I357 PolarHBondContact O-N 2.85Å; I357-K361 HydrophobicContact CG2-CD 4.38Å; I357-K361 WeakPolarHBondContact O-CG 3.36Å; I357-K361 PolarHBondContact O-N 3.05Å |
| 358 | R | 97.1 | Very high | 96.5 | Very high | 177 Ų | 177 | 119 Ų | 119 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62 | -44.1 | 177.2 | 178.1 | 179.9 | -87.6 | -179.5 | -5.4 | 111.1 | K354 R355 K361 N362 | K354-R358 WeakPolarHBondContact O-CB 2.97Å; K354-R358 PolarHBondContact O-N 3.26Å; R355-R358 WeakPolarHBondContact O-CB 3.32Å; R355-R358 PolarHBondContact O-N 3.15Å; R358-K361 PolarHBondContact O-N 2.64Å; R358-N362 WeakPolarHBondContact O-CB 3.43Å; R358-N362 VanDerWaalsContact O-CG 3.31Å; R358-N362 PolarHBondContact O-N 3.37Å |
| 359 | D | 97 | Very high | 96.7 | Very high | 82 Ų | 82 | 118.8 Ų | 118.8 | 44% | 0.439 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.9 | -41.8 | -178.7 | -65.4 | -17.7 | 0 | 0 | 0 | 111.5 | R355 K361 N362 A363 | R355-D359 VanDerWaalsContact O-CG 3.27Å; R355-D359 PolarHBondContact O-N 3.16Å; D359-K361 PolarHBondContact O-N 2.68Å; D359-N362 PolarHBondContact O-N 3.28Å; D359-A363 WeakPolarHBondContact O-CB 3.33Å; D359-A363 PolarHBondContact O-N 3.04Å |
| 360 | R | 97.1 | Very high | 96.7 | Very high | 203 Ų | 203 | 121 Ų | 121 | 77% | 0.766 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.4 | -43 | 172.7 | -72.7 | -179.7 | 87.2 | 179.4 | 6.9 | 112.1 | N356 N362 A363 E364 | N356-R360 WeakPolarHBondContact O-CB 3.44Å; N356-R360 WeakPolarHBondContact O-CG 3.09Å; N356-R360 PolarHBondContact O-N 3.26Å; R360-N362 VanDerWaalsContact C-N 3.35Å; R360-N362 PolarHBondContact O-N 3.01Å; R360-A363 PolarHBondContact O-N 3.02Å; R360-E364 WeakPolarHBondContact O-CB 3.33Å; R360-E364 PolarHBondContact O-N 2.73Å |
| 361 | K | 97.3 | Very high | 96.7 | Very high | 142 Ų | 142 | 121 Ų | 121 | 62% | 0.617 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63 | -40.2 | 175.6 | -76.2 | -177.6 | 178.3 | -175.3 | 0 | 112.1 | I357 R358 D359 K365 | I357-K361 HydrophobicContact CG2-CD 4.38Å; I357-K361 WeakPolarHBondContact O-CG 3.36Å; I357-K361 PolarHBondContact O-N 3.05Å; R358-K361 PolarHBondContact O-N 2.64Å; D359-K361 PolarHBondContact O-N 2.68Å; K361-K365 WeakPolarHBondContact O-CG 3.4Å; K361-K365 PolarHBondContact O-N 3.27Å |
| 362 | N | 97.1 | Very high | 96.8 | Very high | 72 Ų | 72 | 123.6 Ų | 123.6 | 39% | 0.385 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69 | -39.9 | 177.8 | -73.6 | -15 | 0 | 0 | 0 | 111.9 | R358 D359 R360 K365 R366 | R358-N362 WeakPolarHBondContact O-CB 3.43Å; R358-N362 VanDerWaalsContact O-CG 3.31Å; R358-N362 PolarHBondContact O-N 3.37Å; D359-N362 PolarHBondContact O-N 3.28Å; R360-N362 VanDerWaalsContact C-N 3.35Å; R360-N362 PolarHBondContact O-N 3.01Å; N362-K365 PolarHBondContact O-N 3.46Å; N362-R366 WeakPolarHBondContact O-CG 3.37Å; N362-R366 PolarHBondContact O-N 3.27Å |
| 363 | A | 97.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 123 Ų | 123 | 49% | 0.488 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.1 | -43.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D359 R360 R366 R367 | D359-A363 WeakPolarHBondContact O-CB 3.33Å; D359-A363 PolarHBondContact O-N 3.04Å; R360-A363 PolarHBondContact O-N 3.02Å; A363-R366 PolarHBondContact O-N 3.48Å; A363-R367 PolarHBondContact O-N 3.32Å |
| 364 | E | 96.9 | Very high | 96.5 | Very high | 88 Ų | 88 | 124.4 Ų | 124.4 | 41% | 0.411 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.6 | -42.6 | 176.7 | -176.5 | 57.2 | -154.9 | 0 | 0 | 111.8 | R360 R366 R367 Q368 | R360-E364 WeakPolarHBondContact O-CB 3.33Å; R360-E364 PolarHBondContact O-N 2.73Å; E364-R366 VanDerWaalsContact C-N 3.33Å; E364-R366 PolarHBondContact O-N 2.8Å; E364-R367 PolarHBondContact O-N 3.03Å; E364-Q368 WeakPolarHBondContact O-CG 3.33Å; E364-Q368 PolarHBondContact O-N 3.5Å; E364-Q368 PolarHBondContact OE1-NE2 3.41Å |
| 365 | K | 97 | Very high | 96.4 | Very high | 143 Ų | 143 | 127 Ų | 127 | 62% | 0.622 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.6 | -41.6 | 173.6 | -78.3 | -178.1 | 178.1 | -174 | 0 | 112.6 | K361 N362 Q368 A369 | K361-K365 WeakPolarHBondContact O-CG 3.4Å; K361-K365 PolarHBondContact O-N 3.27Å; N362-K365 PolarHBondContact O-N 3.46Å; K365-Q368 PolarHBondContact O-N 3.2Å; K365-A369 WeakPolarHBondContact O-CB 3.12Å; K365-A369 PolarHBondContact O-N 2.88Å |
| 366 | R | 96.8 | Very high | 96.3 | Very high | 186 Ų | 186 | 125.6 Ų | 125.6 | 70% | 0.702 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.1 | -45.7 | 175.9 | -73.7 | 176.6 | -178.9 | -173.1 | 0 | 111 | N362 A363 E364 Q368 A369 E370 | N362-R366 WeakPolarHBondContact O-CG 3.37Å; N362-R366 PolarHBondContact O-N 3.27Å; A363-R366 PolarHBondContact O-N 3.48Å; E364-R366 VanDerWaalsContact C-N 3.33Å; E364-R366 PolarHBondContact O-N 2.8Å; R366-Q368 PolarHBondContact O-N 2.94Å; R366-A369 PolarHBondContact O-N 2.76Å; R366-E370 PolarHBondContact O-N 2.71Å |
| 367 | R | 96.6 | Very high | 96.2 | Very high | 159 Ų | 159 | 125.9 Ų | 125.9 | 60% | 0.6 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.6 | -42.4 | 176.9 | -170.2 | 179.6 | 179.3 | 176.5 | 0.7 | 112.5 | A363 E364 E370 L371 | A363-R367 PolarHBondContact O-N 3.32Å; E364-R367 PolarHBondContact O-N 3.03Å; R367-E370 PolarHBondContact O-N 3.24Å; R367-L371 HydrophobicContact CG-CD1 4.3Å; R367-L371 WeakPolarHBondContact O-CB 3.19Å; R367-L371 WeakPolarHBondContact O-CG 3.38Å; R367-L371 PolarHBondContact O-N 3.49Å |
| 368 | Q | 96.4 | Very high | 96 | Very high | 112 Ų | 112 | 124.4 Ų | 124.4 | 52% | 0.523 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.2 | -38.1 | 176.2 | -71.8 | 179.4 | 8.9 | 0 | 0 | 112.5 | E364 K365 R366 K372 | E364-Q368 WeakPolarHBondContact O-CG 3.33Å; E364-Q368 PolarHBondContact O-N 3.5Å; E364-Q368 PolarHBondContact OE1-NE2 3.41Å; K365-Q368 PolarHBondContact O-N 3.2Å; R366-Q368 PolarHBondContact O-N 2.94Å; Q368-K372 WeakPolarHBondContact O-CB 3.47Å; Q368-K372 PolarHBondContact O-N 2.76Å |
| 369 | A | 96.3 | Very high | 95.8 | Very high | 62 Ų | 62 | 120.1 Ų | 120.1 | 51% | 0.512 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.1 | -41.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K365 R366 K372 K373 | K365-A369 WeakPolarHBondContact O-CB 3.12Å; K365-A369 PolarHBondContact O-N 2.88Å; R366-A369 PolarHBondContact O-N 2.76Å; A369-K372 PolarHBondContact O-N 3.39Å; A369-K373 PolarHBondContact O-N 3.46Å |
| 370 | E | 96 | Very high | 95.5 | Very high | 135 Ų | 135 | 121.7 Ų | 121.7 | 63% | 0.631 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.3 | -46.1 | 174.7 | -76.2 | 175.1 | 176.2 | 0 | 0 | 112.2 | R366 R367 K372 K373 H374 | R366-E370 PolarHBondContact O-N 2.71Å; R367-E370 PolarHBondContact O-N 3.24Å; E370-K372 VanDerWaalsContact C-N 3.29Å; E370-K372 PolarHBondContact O-N 2.78Å; E370-K373 PolarHBondContact O-N 3.36Å; E370-K373 VanDerWaalsContact O-N 3.13Å; E370-H374 PolarHBondContact O-N 3.46Å |
| 371 | L | 96 | Very high | 95.2 | Very high | 105 Ų | 105 | 115.8 Ų | 115.8 | 55% | 0.55 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.7 | -40.7 | 175 | -78.1 | 166.5 | 0 | 0 | 0 | 111.8 | R367 H374 R375 | R367-L371 HydrophobicContact CG-CD1 4.3Å; R367-L371 WeakPolarHBondContact O-CB 3.19Å; R367-L371 WeakPolarHBondContact O-CG 3.38Å; R367-L371 PolarHBondContact O-N 3.49Å; L371-H374 PolarHBondContact O-N 3.06Å; L371-R375 WeakPolarHBondContact O-CB 3.37Å; L371-R375 PolarHBondContact O-N 3.35Å |
| 372 | K | 95.8 | Very high | 94.8 | Very high | 147 Ų | 147 | 112.9 Ų | 112.9 | 64% | 0.639 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.1 | -38.2 | 176.4 | -170.1 | 175.5 | -177.9 | 177.9 | 0 | 112.1 | Q368 A369 E370 K376 | Q368-K372 WeakPolarHBondContact O-CB 3.47Å; Q368-K372 PolarHBondContact O-N 2.76Å; A369-K372 PolarHBondContact O-N 3.39Å; E370-K372 VanDerWaalsContact C-N 3.29Å; E370-K372 PolarHBondContact O-N 2.78Å; K372-K376 PolarHBondContact O-N 3.18Å; K372-K376 VanDerWaalsContact O-N 3.14Å |
| 373 | K | 95.1 | Very high | 94.4 | Very high | 164 Ų | 164 | 111.8 Ų | 111.8 | 71% | 0.713 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.9 | -43.5 | 174.9 | -171 | -178.7 | 178.3 | -175.3 | 0 | 111.2 | A369 E370 K376 L377 | A369-K373 PolarHBondContact O-N 3.46Å; E370-K373 PolarHBondContact O-N 3.36Å; E370-K373 VanDerWaalsContact O-N 3.13Å; K373-K376 PolarHBondContact O-N 3.14Å; K373-L377 PolarHBondContact O-N 3.14Å; K373-L377 VanDerWaalsContact O-N 3.1Å |
| 374 | H | 93.3 | Very high | 93.8 | Very high | 121 Ų | 121 | 115.5 Ų | 115.5 | 56% | 0.56 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.5 | -41.7 | 177.7 | -165.8 | 63.4 | 0 | 0 | 0 | 111.6 | E370 L371 K376 L377 V378 | E370-H374 PolarHBondContact O-N 3.46Å; L371-H374 PolarHBondContact O-N 3.06Å; H374-K376 PolarHBondContact O-N 2.64Å; H374-L377 PolarHBondContact O-N 2.68Å; H374-V378 WeakPolarHBondContact O-CG2 3.04Å; H374-V378 PolarHBondContact O-N 3.15Å |
| 375 | R | 94.9 | Very high | 93.2 | Very high | 181 Ų | 181 | 115.5 Ų | 115.5 | 68% | 0.683 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.4 | -45.5 | 174.9 | -168.8 | 178.1 | -171.3 | -160.1 | 2.6 | 112.2 | L371 L377 V378 D379 | L371-R375 WeakPolarHBondContact O-CB 3.37Å; L371-R375 PolarHBondContact O-N 3.35Å; R375-L377 VanDerWaalsContact C-N 3.33Å; R375-L377 PolarHBondContact O-N 3.34Å; R375-V378 PolarHBondContact O-N 3.03Å; R375-D379 PolarHBondContact O-N 2.86Å |
| 376 | K | 94.4 | Very high | 92.3 | Very high | 129 Ų | 129 | 114.7 Ų | 114.7 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -58.2 | -43.7 | 175.2 | -79.6 | -171.2 | 170 | -159.7 | 0 | 112.7 | K372 K373 H374 V378 D379 E380 | K372-K376 PolarHBondContact O-N 3.18Å; K372-K376 VanDerWaalsContact O-N 3.14Å; K373-K376 PolarHBondContact O-N 3.14Å; H374-K376 PolarHBondContact O-N 2.64Å; K376-V378 VanDerWaalsContact C-N 3.35Å; K376-D379 PolarHBondContact O-N 2.98Å; K376-E380 WeakPolarHBondContact O-CG 3.09Å; K376-E380 PolarHBondContact O-N 2.76Å |
| 377 | L | 93.6 | Very high | 91.3 | Very high | 88 Ų | 88 | 112.4 Ų | 112.4 | 46% | 0.461 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 178.2 | -176.7 | 68.1 | 0 | 0 | 0 | 111.8 | K373 H374 R375 E380 I381 | K373-L377 PolarHBondContact O-N 3.14Å; K373-L377 VanDerWaalsContact O-N 3.1Å; H374-L377 PolarHBondContact O-N 2.68Å; R375-L377 VanDerWaalsContact C-N 3.33Å; R375-L377 PolarHBondContact O-N 3.34Å; L377-E380 PolarHBondContact O-N 3.44Å; L377-I381 HydrophobicContact CD1-CD1 4.48Å; L377-I381 HydrophobicContact CG-CD1 4.08Å; L377-I381 VanDerWaalsContact O-CG1 3.31Å; L377-I381 WeakPolarHBondContact O-CG1 3.46Å; L377-I381 PolarHBondContact O-N 3.1Å |
| 378 | V | 93.5 | Very high | 89.9 | Confident | 57 Ų | 57 | 110.6 Ų | 110.6 | 35% | 0.345 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 111 | H374 R375 K376 E380 I381 N382 | H374-V378 WeakPolarHBondContact O-CG2 3.04Å; H374-V378 PolarHBondContact O-N 3.15Å; R375-V378 PolarHBondContact O-N 3.03Å; K376-V378 VanDerWaalsContact C-N 3.35Å; V378-E380 VanDerWaalsContact C-N 3.34Å; V378-I381 PolarHBondContact O-N 2.92Å; V378-N382 WeakPolarHBondContact O-CB 3.4Å; V378-N382 VanDerWaalsContact O-CG 3.24Å; V378-N382 PolarHBondContact O-N 3.26Å; V378-N382 PolarHBondContact O-ND2 3.3Å |
| 379 | D | 92.9 | Very high | 88.3 | Confident | 87 Ų | 87 | 110.6 Ų | 110.6 | 47% | 0.465 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 177.1 | -64.5 | -24.9 | 0 | 0 | 0 | 111.4 | R375 K376 A383 | R375-D379 PolarHBondContact O-N 2.86Å; K376-D379 PolarHBondContact O-N 2.98Å; D379-A383 PolarHBondContact O-N 3.37Å; D379-A383 VanDerWaalsContact O-N 3.08Å |
| 380 | E | 91.9 | Very high | 86.5 | Confident | 116 Ų | 116 | 111.4 Ų | 111.4 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.2 | -48.1 | 174.4 | -77.2 | 167 | -170.5 | 0 | 0 | 112.1 | K376 L377 V378 N382 A383 E384 | K376-E380 WeakPolarHBondContact O-CG 3.09Å; K376-E380 PolarHBondContact O-N 2.76Å; L377-E380 PolarHBondContact O-N 3.44Å; V378-E380 VanDerWaalsContact C-N 3.34Å; E380-N382 VanDerWaalsContact C-N 3.32Å; E380-N382 PolarHBondContact O-N 2.49Å; E380-A383 WeakPolarHBondContact O-CB 3.32Å; E380-A383 PolarHBondContact O-N 3.11Å; E380-E384 PolarHBondContact O-N 2.77Å |
| 381 | I | 91 | Very high | 84.6 | Confident | 79 Ų | 79 | 110 Ų | 110 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 177.2 | -69.1 | 166.3 | 0 | 0 | 0 | 111 | L377 V378 A383 E384 I385 | L377-I381 HydrophobicContact CD1-CD1 4.48Å; L377-I381 HydrophobicContact CG-CD1 4.08Å; L377-I381 VanDerWaalsContact O-CG1 3.31Å; L377-I381 WeakPolarHBondContact O-CG1 3.46Å; L377-I381 PolarHBondContact O-N 3.1Å; V378-I381 PolarHBondContact O-N 2.92Å; I381-A383 VanDerWaalsContact C-N 3.29Å; I381-A383 PolarHBondContact O-N 2.76Å; I381-E384 PolarHBondContact O-N 3.04Å; I381-I385 HydrophobicContact CG2-CD1 3.91Å; I381-I385 WeakPolarHBondContact O-CG1 3.29Å; I381-I385 PolarHBondContact O-N 3.25Å |
| 382 | N | 89.1 | Confident | 82.5 | Confident | 80 Ų | 80 | 110.6 Ų | 110.6 | 43% | 0.428 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65 | -34.7 | 178.6 | -73.3 | -26.9 | 0 | 0 | 0 | 112.2 | V378 E380 L386 | V378-N382 WeakPolarHBondContact O-CB 3.4Å; V378-N382 VanDerWaalsContact O-CG 3.24Å; V378-N382 PolarHBondContact O-N 3.26Å; V378-N382 PolarHBondContact O-ND2 3.3Å; E380-N382 VanDerWaalsContact C-N 3.32Å; E380-N382 PolarHBondContact O-N 2.49Å; N382-L386 WeakPolarHBondContact O-CG 3.28Å; N382-L386 PolarHBondContact O-N 3.22Å; N382-L386 VanDerWaalsContact O-N 3.14Å |
| 383 | A | 88 | Confident | 80.2 | Confident | 50 Ų | 50 | 112 Ų | 112 | 41% | 0.413 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.6 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D379 E380 I381 I385 L386 E387 | D379-A383 PolarHBondContact O-N 3.37Å; D379-A383 VanDerWaalsContact O-N 3.08Å; E380-A383 WeakPolarHBondContact O-CB 3.32Å; E380-A383 PolarHBondContact O-N 3.11Å; I381-A383 VanDerWaalsContact C-N 3.29Å; I381-A383 PolarHBondContact O-N 2.76Å; A383-I385 VanDerWaalsContact C-N 3.35Å; A383-I385 PolarHBondContact O-N 2.62Å; A383-L386 PolarHBondContact O-N 3.14Å; A383-E387 PolarHBondContact O-N 2.58Å |
| 384 | E | 84.9 | Confident | 77.7 | Confident | 136 Ų | 136 | 109.9 Ų | 109.9 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.3 | -40.7 | 175.3 | -73.2 | -179.2 | 176.1 | 0 | 0 | 112.4 | E380 I381 E387 H388 | E380-E384 PolarHBondContact O-N 2.77Å; I381-E384 PolarHBondContact O-N 3.04Å; E384-E387 PolarHBondContact O-N 3.25Å; E384-H388 PolarHBondContact O-N 2.93Å |
| 385 | I | 82.6 | Confident | 75.4 | Confident | 89 Ų | 89 | 108.8 Ų | 108.8 | 46% | 0.456 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.3 | -43.9 | 176 | -68 | 167.3 | 0 | 0 | 0 | 110.9 | I381 A383 E387 H388 D389 | I381-I385 HydrophobicContact CG2-CD1 3.91Å; I381-I385 WeakPolarHBondContact O-CG1 3.29Å; I381-I385 PolarHBondContact O-N 3.25Å; A383-I385 VanDerWaalsContact C-N 3.35Å; A383-I385 PolarHBondContact O-N 2.62Å; I385-E387 VanDerWaalsContact C-N 3.34Å; I385-E387 PolarHBondContact O-N 3.15Å; I385-H388 PolarHBondContact O-N 2.91Å; I385-D389 PolarHBondContact O-N 3.5Å |
| 386 | L | 79.1 | Confident | 72.9 | Confident | 125 Ų | 125 | 108.1 Ų | 108.1 | 65% | 0.654 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.7 | -35.9 | 178.6 | -76 | 167 | 0 | 0 | 0 | 112.6 | N382 A383 S390 | N382-L386 WeakPolarHBondContact O-CG 3.28Å; N382-L386 PolarHBondContact O-N 3.22Å; N382-L386 VanDerWaalsContact O-N 3.14Å; A383-L386 PolarHBondContact O-N 3.14Å; L386-S390 WeakPolarHBondContact O-CB 3.46Å; L386-S390 PolarHBondContact O-N 3.33Å |
| 387 | E | 75.6 | Confident | 70.5 | Confident | 139 Ų | 139 | 106.1 Ų | 106.1 | 65% | 0.65 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.5 | -42.7 | 173.4 | -74.7 | -173.5 | 178.1 | 0 | 0 | 111.2 | A383 E384 I385 S390 T391 | A383-E387 PolarHBondContact O-N 2.58Å; E384-E387 PolarHBondContact O-N 3.25Å; I385-E387 VanDerWaalsContact C-N 3.34Å; I385-E387 PolarHBondContact O-N 3.15Å; E387-S390 PolarHBondContact O-N 3.16Å; E387-S390 PolarHBondContact O-OG 3.37Å; E387-T391 PolarHBondContact O-N 3Å; E387-T391 PolarHBondContact O-OG1 3.18Å |
| 388 | H | 67.5 | Low | 67.8 | Low | 120 Ų | 120 | 107.3 Ų | 107.3 | 56% | 0.556 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.7 | -41.7 | 177.9 | -166.6 | -69.3 | 0 | 0 | 0 | 112.9 | E384 I385 S390 T391 D392 | E384-H388 PolarHBondContact O-N 2.93Å; I385-H388 PolarHBondContact O-N 2.91Å; H388-S390 PolarHBondContact O-N 3.15Å; H388-T391 PolarHBondContact O-N 3.32Å; H388-T391 PolarHBondContact O-OG1 2.89Å; H388-D392 IonicContact CE1-OD2 2.7Å; H388-D392 IonicContact ND1-OD2 3.83Å |
| 389 | D | 62.1 | Low | 65.4 | Low | 112 Ų | 112 | 112.1 Ų | 112.1 | 60% | 0.599 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.1 | -24.6 | 175.8 | -89.3 | -6.8 | 0 | 0 | 0 | 112.6 | I385 | I385-D389 PolarHBondContact O-N 3.5Å |
| 390 | S | 58.9 | Low | 62.8 | Low | 79 Ų | 79 | 114.9 Ų | 114.9 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.3 | -22 | 177.2 | 79 | 0 | 0 | 0 | 0 | 113.5 | L386 E387 H388 | L386-S390 WeakPolarHBondContact O-CB 3.46Å; L386-S390 PolarHBondContact O-N 3.33Å; E387-S390 PolarHBondContact O-N 3.16Å; E387-S390 PolarHBondContact O-OG 3.37Å; H388-S390 PolarHBondContact O-N 3.15Å |
| 391 | T | 56.9 | Low | 60.5 | Low | 105 Ų | 105 | 118 Ų | 118 | 64% | 0.644 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -86.3 | -14 | 177.9 | 43.1 | 0 | 0 | 0 | 0 | 114.4 | E387 H388 | E387-T391 PolarHBondContact O-N 3Å; E387-T391 PolarHBondContact O-OG1 3.18Å; H388-T391 PolarHBondContact O-N 3.32Å; H388-T391 PolarHBondContact O-OG1 2.89Å |
| 392 | D | 51.5 | Low | 58 | Low | 118 Ų | 118 | 119.1 Ų | 119.1 | 63% | 0.631 | 67% | 0.674 | S | S | * | * | trans | -98.1 | 29.1 | 178.4 | -85.9 | -29.3 | 0 | 0 | 0 | 113.8 | H388 | H388-D392 IonicContact CE1-OD2 2.7Å; H388-D392 IonicContact ND1-OD2 3.83Å | ||
| 393 | K | 47.3 | Very low | 55.7 | Low | 178 Ų | 178 | 119.1 Ų | 119.1 | 77% | 0.774 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 122 | 162.9 | -84.6 | -174.7 | 178.6 | 176.7 | 0 | 109.4 | A395 | K393-A395 PolarHBondContact O-N 3.26Š|
| 394 | P | 42.4 | Very low | 53.6 | Low | 119 Ų | 119 | 125.8 Ų | 125.8 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 128.5 | 178.2 | 27 | -31.5 | 0 | 0 | 0 | 108.9 | N396 | P394-N396 PolarHBondContact O-N 3.28Š|
| 395 | A | 45.6 | Very low | 51.6 | Low | 98 Ų | 98 | 124.7 Ų | 124.7 | 81% | 0.81 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 123.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | K393 A397 | K393-A395 PolarHBondContact O-N 3.26Å; A395-A397 PolarHBondContact O-N 3.18Å |
| 396 | N | 42.2 | Very low | 49.9 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | trans | -49.3 | 108.6 | 169.6 | -88.6 | -23.1 | 0 | 0 | 0 | 109 | P394 S398 | P394-N396 PolarHBondContact O-N 3.28Å; N396-S398 PolarHBondContact O-N 2.87Å | ||
| 397 | A | 43.1 | Very low | 48.3 | Very low | 87 Ų | 87 | 129.3 Ų | 129.3 | 72% | 0.719 | 72% | 0.717 | S | S | * | * | trans | -67.7 | 113.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | A395 D399 | A395-A397 PolarHBondContact O-N 3.18Å; A397-D399 PolarHBondContact O-N 2.99Å | ||
| 398 | S | 38.1 | Very low | 46.9 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | -63.6 | 105.5 | 156.8 | 51.2 | 0 | 0 | 0 | 0 | 107.8 | N396 | N396-S398 PolarHBondContact O-N 2.87Š| ||
| 399 | D | 43 | Very low | 46 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 85% | 0.845 | 72% | 0.72 | S | S | * | * | trans | -121.5 | 113.1 | 159.6 | -90.3 | -30 | 0 | 0 | 0 | 109.8 | A397 | A397-D399 PolarHBondContact O-N 2.99Š| ||
| 400 | D | 37.6 | Very low | 45.6 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | trans | -74.3 | 112.3 | 168.7 | -172.1 | 10.5 | 0 | 0 | 0 | 107.8 | ||||
| 401 | H | 43.5 | Very low | 45 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | -163.1 | 124.2 | 141.5 | -105.5 | -7.5 | 0 | 0 | 0 | 114.2 | ||||
| 402 | S | 38.8 | Very low | 44.4 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -67.6 | 150.6 | 169.8 | 65.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 403 | A | 41.1 | Very low | 44.1 | Very low | 79 Ų | 79 | 142.1 Ų | 142.1 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | 122.1 | 118.5 | 124.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 404 | K | 43.5 | Very low | 43.9 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | 71.6 | 145.4 | 142.9 | -67.7 | 179.5 | 178.9 | 178.7 | 0 | 116.5 | ||||
| 405 | D | 43.4 | Very low | 44 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | cis | -176.4 | 145.6 | -8.7 | -115.6 | -33.7 | 0 | 0 | 0 | 102.7 | ||||
| 406 | K | 45.8 | Very low | 43.9 | Very low | 182 Ų | 182 | 144 Ų | 144 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | 62.6 | 151.2 | 151.6 | -62.9 | 173.5 | -178.4 | -176.2 | 0 | 118.6 | ||||
| 407 | E | 46 | Very low | 44 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 60% | 0.603 | 76% | 0.763 | S | S | * | * | cis | 179.3 | 120.9 | -18.2 | 168.1 | 165.4 | -158.9 | 0 | 0 | 103.6 | ||||
| 408 | K | 47.3 | Very low | 44 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | trans | 64.1 | 157.6 | 145.1 | -72.7 | 177 | -170.3 | 154.6 | 0 | 119.4 | ||||
| 409 | T | 47.5 | Very low | 44.5 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 56% | 0.558 | 76% | 0.764 | S | S | * | * | cis | -159.1 | 167 | 34.1 | -8.7 | 0 | 0 | 0 | 0 | 107.2 | L411 | T409-L411 VanDerWaalsContact C-CA 3.49Å; T409-L411 CarbonylContact C-O 3.56Å; T409-L411 VanDerWaalsContact CB-N 3.25Å; T409-L411 VanDerWaalsContact CB-O 3.31Å; T409-L411 WeakPolarHBondContact CB-O 3.11Å; T409-L411 CarbonylContact O-C 3Å | ||
| 410 | E | 54.4 | Low | 44.6 | Very low | 189 Ų | 189 | 148.3 Ų | 148.3 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | cis | 74.2 | 15 | 12.2 | -94.3 | -165.5 | -152 | 0 | 0 | 115.9 | ||||
| 411 | L | 46.3 | Very low | 45.2 | Very low | 211 Ų | 211 | 148.6 Ų | 148.6 | 100% | 1.105 | 76% | 0.755 | S | S | * | * | cis | -96.5 | 0 | 27.9 | -76.2 | 109.6 | 0 | 0 | 0 | 120 | T409 | T409-L411 VanDerWaalsContact C-CA 3.49Å; T409-L411 CarbonylContact C-O 3.56Å; T409-L411 VanDerWaalsContact CB-N 3.25Å; T409-L411 VanDerWaalsContact CB-O 3.31Å; T409-L411 WeakPolarHBondContact CB-O 3.11Å; T409-L411 CarbonylContact O-C 3Å |
Retrieved 411 of 411 residues in 616.4 ms
(Link to these results)