| 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 | 72.6 | Confident | 61.3 | Low | 150 Ų | 150 | 99.5 Ų | 99.5 | 74% | 0.739 | 53% | 0.527 | S | S | * | . | 0 | 150 | 0 | -67.9 | -175.5 | -175.5 | 0 | 0 | 108.5 | T34 G35 F117 | M1-T34 HydrophobicContact CB-CG2 4.35Å; M1-T34 HydrophobicContact SD-CG2 4.43Å; M1-G35 CarbonylContact C-O 3.55Å; M1-G35 WeakPolarHBondContact CA-O 3.43Å; M1-F117 HydrophobicContact CE-CE1 4.39Å; M1-F117 HydrophobicContact CE-CZ 4.46Å | |||
| 2 | V | 75.4 | Confident | 60.8 | Low | 47 Ų | 47 | 99.2 Ų | 99.2 | 29% | 0.285 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 143.4 | 172.7 | -64.5 | 0 | 0 | 0 | 0 | 108.7 | T34 G35 D37 I40 | V2-T34 WeakPolarHBondContact O-CA 3.36Å; V2-G35 PolarHBondContact N-O 3.26Å; V2-G35 PolarHBondContact O-N 2.88Å; V2-D37 HydrophobicContact CG1-CB 3.88Å; V2-D37 HydrophobicContact CG2-CB 3.78Å; V2-I40 HydrophobicContact CG2-CD1 3.74Å |
| 3 | T | 70.9 | Confident | 60.3 | Low | 88 Ų | 88 | 102.4 Ų | 102.4 | 54% | 0.54 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.9 | 174 | -61.8 | 0 | 0 | 0 | 0 | 107.7 | V32 I33 T34 | T3-V32 HydrophobicContact CG2-CG1 3.42Å; T3-V32 VanDerWaalsContact CG2-CG1 3.42Å; T3-I33 WeakPolarHBondContact CA-O 3.33Å; T3-T34 WeakPolarHBondContact CG2-OG1 3.29Å; T3-T34 WeakPolarHBondContact OG1-CG2 3.35Å; T3-T34 PolarHBondContact OG1-OG1 3.07Å |
| 4 | R | 66.6 | Low | 60.1 | Low | 91 Ų | 91 | 103.2 Ų | 103.2 | 34% | 0.343 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.4 | 176.6 | -61.9 | -174.3 | -176.8 | 178.2 | 0.8 | 109.2 | V32 I33 D37 N41 | R4-V32 CarbonylContact O-C 3.6Å; R4-V32 WeakPolarHBondContact O-CA 3.38Å; R4-I33 PolarHBondContact N-O 3.21Å; R4-I33 PolarHBondContact O-N 3.42Å; R4-D37 IonicContact CZ-OD1 3.91Å; R4-D37 IonicContact NH2-OD1 2.86Å; R4-D37 PolarHBondContact NH2-OD1 2.86Å; R4-N41 PolarHBondContact NH1-OD1 2.85Å; R4-N41 PolarHBondContact NH2-ND2 2.68Å; R4-N41 PolarHBondContact NH2-OD1 3.02Å |
| 5 | T | 65.2 | Low | 59.1 | Low | 76 Ų | 76 | 101.3 Ų | 101.3 | 47% | 0.466 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 110.6 | 173.1 | -55.3 | 0 | 0 | 0 | 0 | 107 | A30 V32 | T5-A30 HydrophobicContact CG2-CB 3.68Å; T5-V32 HydrophobicContact CG2-CG2 4.44Å |
| 6 | E | 59.6 | Low | 58.2 | Low | 112 Ų | 112 | 99.4 Ų | 99.4 | 52% | 0.523 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 143.7 | 172.4 | -64.1 | -165.5 | 110.6 | 0 | 0 | 109.4 | T31 I33 | E6-T31 PolarHBondContact N-O 2.83Å; E6-T31 PolarHBondContact O-N 2.95Å; E6-I33 WeakPolarHBondContact OE2-CD1 3.36Å |
| 7 | G | 53.9 | Low | 57.1 | Low | 41 Ų | 41 | 103 Ų | 103 | 42% | 0.423 | 60% | 0.597 | S | S | . | * | trans | 94.2 | 15.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | I9 | G7-I9 PolarHBondContact O-N 3.44Š| ||
| 8 | Q | 50.5 | Low | 56.9 | Low | 178 Ų | 178 | 102.6 Ų | 102.6 | 83% | 0.832 | 61% | 0.608 | S | S | * | * | trans | -72.9 | 74.2 | 159 | -108.1 | -175.8 | 17.4 | 0 | 0 | 109.1 | ||||
| 9 | I | 53.8 | Low | 56.3 | Low | 89 Ų | 89 | 103.3 Ų | 103.3 | 46% | 0.456 | 62% | 0.618 | S | S | . | * | trans | -80.2 | 114.6 | 160 | 23.6 | 171.5 | 0 | 0 | 0 | 106.2 | G7 D11 I14 T28 | G7-I9 PolarHBondContact O-N 3.44Å; I9-D11 PolarHBondContact O-N 3.31Å; I9-I14 HydrophobicContact CD1-CD1 4.23Å; I9-T28 HydrophobicContact CD1-CG2 4.33Å | ||
| 10 | D | 51.2 | Low | 55.4 | Low | 97 Ų | 97 | 102.6 Ų | 102.6 | 52% | 0.519 | 62% | 0.624 | S | S | . | * | trans | -66.6 | 114 | 167.1 | -165.1 | -68.9 | 0 | 0 | 0 | 106.4 | S12 L13 | D10-S12 PolarHBondContact O-N 2.86Å; D10-S12 WeakPolarHBondContact OD1-CB 3.31Å; D10-S12 PolarHBondContact OD1-N 3.29Å; D10-S12 VanDerWaalsContact OD1-N 3.12Å; D10-S12 PolarHBondContact OD1-OG 2.8Å; D10-L13 HydrophobicContact CB-CD1 4.04Å; D10-L13 HydrophobicContact CB-CG 4.23Å; D10-L13 WeakPolarHBondContact O-CB 3.25Å; D10-L13 PolarHBondContact O-N 3.26Å | ||
| 11 | D | 54.3 | Low | 55 | Low | 125 Ų | 125 | 107.4 Ų | 107.4 | 67% | 0.668 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -52.5 | -21.3 | -178.9 | -88.2 | -19.9 | 0 | 0 | 0 | 112.3 | I9 L13 I14 | I9-D11 PolarHBondContact O-N 3.31Å; D11-L13 PolarHBondContact O-N 3.07Å; D11-I14 PolarHBondContact O-N 3.19Å |
| 12 | S | 56 | Low | 53.2 | Low | 96 Ų | 96 | 103.5 Ų | 103.5 | 67% | 0.671 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -68.9 | -17.5 | 174 | 77.3 | 0 | 0 | 0 | 0 | 114.6 | D10 | D10-S12 PolarHBondContact O-N 2.86Å; D10-S12 WeakPolarHBondContact OD1-CB 3.31Å; D10-S12 PolarHBondContact OD1-N 3.29Å; D10-S12 VanDerWaalsContact OD1-N 3.12Å; D10-S12 PolarHBondContact OD1-OG 2.8Å |
| 13 | L | 53.5 | Low | 51.6 | Low | 141 Ų | 141 | 106.7 Ų | 106.7 | 74% | 0.738 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -86.9 | -15.3 | 177.6 | -65 | 171.6 | 0 | 0 | 0 | 113 | D10 D11 G15 | D10-L13 HydrophobicContact CB-CD1 4.04Å; D10-L13 HydrophobicContact CB-CG 4.23Å; D10-L13 WeakPolarHBondContact O-CB 3.25Å; D10-L13 PolarHBondContact O-N 3.26Å; D11-L13 PolarHBondContact O-N 3.07Å; L13-G15 PolarHBondContact O-N 3.39Å |
| 14 | I | 58.1 | Low | 50.2 | Low | 114 Ų | 114 | 111.4 Ų | 111.4 | 59% | 0.585 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -85.9 | 73.5 | 172.3 | -54.1 | -161.1 | 0 | 0 | 0 | 108.6 | I9 D11 G16 | I9-I14 HydrophobicContact CD1-CD1 4.23Å; D11-I14 PolarHBondContact O-N 3.19Å; I14-G16 PolarHBondContact O-N 2.87Å |
| 15 | G | 45.1 | Very low | 49.3 | Very low | 75 Ų | 75 | 111 Ų | 111 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | trans | -67.2 | 92.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L13 | L13-G15 PolarHBondContact O-N 3.39Š| ||
| 16 | G | 44.7 | Very low | 48.2 | Very low | 70 Ų | 70 | 114.5 Ų | 114.5 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | 80.9 | 107.3 | 131.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | I14 | I14-G16 PolarHBondContact O-N 2.87Š| ||
| 17 | N | 39.3 | Very low | 47.5 | Very low | 161 Ų | 161 | 112 Ų | 112 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | -147.7 | 111.7 | 115.3 | -168.7 | 19.5 | 0 | 0 | 0 | 109.5 | |||||
| 18 | A | 53.2 | Low | 47 | Very low | 96 Ų | 96 | 113.9 Ų | 113.9 | 79% | 0.793 | 72% | 0.723 | S | S | * | * | trans | -81.3 | 113.9 | 179 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 19 | S | 45.8 | Very low | 46.9 | Very low | 116 Ų | 116 | 113.5 Ų | 113.5 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | trans | -159 | 124.9 | 154 | -145.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 20 | A | 39.4 | Very low | 46.8 | Very low | 89 Ų | 89 | 111.7 Ų | 111.7 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | trans | 77.2 | 95.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 21 | E | 45.8 | Very low | 46.7 | Very low | 204 Ų | 204 | 111.2 Ų | 111.2 | 95% | 0.953 | 72% | 0.721 | S | S | * | * | trans | 35.9 | 102.6 | 133.9 | -55.3 | -171.7 | 99.9 | 0 | 0 | 118.7 | ||||
| 22 | G | 34.2 | Very low | 46.7 | Very low | 68 Ų | 68 | 109.3 Ų | 109.3 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | trans | -159.4 | 137.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 23 | P | 42.7 | Very low | 46.9 | Very low | 114 Ų | 114 | 107.6 Ų | 107.6 | 74% | 0.74 | 70% | 0.696 | S | S | * | * | trans | -78.2 | 148.5 | -176.8 | 32.4 | -32.1 | 0 | 0 | 0 | 111.6 | ||||
| 24 | E | 40.8 | Very low | 47.6 | Very low | 186 Ų | 186 | 104.5 Ų | 104.5 | 87% | 0.869 | 68% | 0.683 | S | S | * | * | trans | 74.3 | 110.2 | 154.2 | -65 | 171.3 | 97.6 | 0 | 0 | 117.2 | D26 | E24-D26 PolarHBondContact O-N 3.1Š| ||
| 25 | G | 47.7 | Very low | 48.5 | Very low | 83 Ų | 83 | 99.9 Ų | 99.9 | 86% | 0.856 | 66% | 0.664 | S | S | * | * | trans | -65.6 | 122.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G27 | G25-G27 VanDerWaalsContact C-N 3.34Å; G25-G27 PolarHBondContact O-N 3.19Å | ||
| 26 | D | 42.2 | Very low | 50.4 | Low | 150 Ų | 150 | 97.1 Ų | 97.1 | 80% | 0.802 | 63% | 0.632 | S | S | * | * | trans | -78.7 | 91.9 | 158.9 | -159.5 | -111.7 | 0 | 0 | 0 | 106.5 | E24 T28 | E24-D26 PolarHBondContact O-N 3.1Å; D26-T28 PolarHBondContact O-N 3.03Å; D26-T28 VanDerWaalsContact O-N 3.15Å | ||
| 27 | G | 46.6 | Very low | 52.4 | Low | 60 Ų | 60 | 96.9 Ų | 96.9 | 62% | 0.619 | 61% | 0.614 | S | S | * | * | trans | -55.7 | 120.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | G25 E29 | G25-G27 VanDerWaalsContact C-N 3.34Å; G25-G27 PolarHBondContact O-N 3.19Å; G27-E29 PolarHBondContact O-N 2.94Å | ||
| 28 | T | 43.1 | Very low | 54.6 | Low | 79 Ų | 79 | 92.7 Ų | 92.7 | 49% | 0.485 | 59% | 0.591 | S | S | . | * | trans | -53.8 | 113 | -176.7 | -35.9 | 0 | 0 | 0 | 0 | 108.9 | I9 D26 A30 | I9-T28 HydrophobicContact CD1-CG2 4.33Å; D26-T28 PolarHBondContact O-N 3.03Å; D26-T28 VanDerWaalsContact O-N 3.15Å; T28-A30 PolarHBondContact O-N 3.23Å | ||
| 29 | E | 46.8 | Very low | 56.1 | Low | 171 Ų | 171 | 89.2 Ų | 89.2 | 80% | 0.799 | 56% | 0.56 | S | S | * | * | trans | -62 | 106.7 | -179.7 | -68.1 | -172.8 | 109.4 | 0 | 0 | 108.8 | G27 T31 | G27-E29 PolarHBondContact O-N 2.94Å; E29-T31 PolarHBondContact O-N 3.37Å | ||
| 30 | A | 53.3 | Low | 58.1 | Low | 51 Ų | 51 | 85 Ų | 85 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | trans | -58.1 | 115.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109 | T5 T28 V32 | T5-A30 HydrophobicContact CG2-CB 3.68Å; T28-A30 PolarHBondContact O-N 3.23Å; A30-V32 PolarHBondContact O-N 3.45Å | ||
| 31 | T | 48.9 | Very low | 60.4 | Low | 86 Ų | 86 | 83.9 Ų | 83.9 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 107.1 | -178.1 | -60 | 0 | 0 | 0 | 0 | 108 | E6 E29 I33 | E6-T31 PolarHBondContact N-O 2.83Å; E6-T31 PolarHBondContact O-N 2.95Å; E29-T31 PolarHBondContact O-N 3.37Å; T31-I33 HydrophobicContact CG2-CG1 3.97Å; T31-I33 PolarHBondContact O-N 2.94Å |
| 32 | V | 52.9 | Low | 62.3 | Low | 86 Ų | 86 | 79.9 Ų | 79.9 | 52% | 0.521 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 107.6 | 174.6 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | T3 R4 T5 A30 | T3-V32 HydrophobicContact CG2-CG1 3.42Å; T3-V32 VanDerWaalsContact CG2-CG1 3.42Å; R4-V32 CarbonylContact O-C 3.6Å; R4-V32 WeakPolarHBondContact O-CA 3.38Å; T5-V32 HydrophobicContact CG2-CG2 4.44Å; A30-V32 PolarHBondContact O-N 3.45Å |
| 33 | I | 59.9 | Low | 64.8 | Low | 60 Ų | 60 | 81.7 Ų | 81.7 | 31% | 0.308 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 113.8 | 174.2 | -53.7 | -171.2 | 0 | 0 | 0 | 108.4 | T3 R4 E6 T31 I40 | T3-I33 WeakPolarHBondContact CA-O 3.33Å; R4-I33 PolarHBondContact N-O 3.21Å; R4-I33 PolarHBondContact O-N 3.42Å; E6-I33 WeakPolarHBondContact OE2-CD1 3.36Å; T31-I33 HydrophobicContact CG2-CG1 3.97Å; T31-I33 PolarHBondContact O-N 2.94Å; I33-I40 HydrophobicContact CG2-CD1 4.14Å; I33-I40 HydrophobicContact CG2-CG1 4.25Å |
| 34 | T | 69.1 | Low | 67.2 | Low | 76 Ų | 76 | 77.5 Ų | 77.5 | 47% | 0.466 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.2 | 169.2 | -60.5 | 0 | 0 | 0 | 0 | 109.3 | M1 V2 T3 | M1-T34 HydrophobicContact CB-CG2 4.35Å; M1-T34 HydrophobicContact SD-CG2 4.43Å; V2-T34 WeakPolarHBondContact O-CA 3.36Å; T3-T34 WeakPolarHBondContact CG2-OG1 3.29Å; T3-T34 WeakPolarHBondContact OG1-CG2 3.35Å; T3-T34 PolarHBondContact OG1-OG1 3.07Å |
| 35 | G | 77.4 | Confident | 69.6 | Low | 17 Ų | 17 | 72.2 Ų | 72.2 | 18% | 0.175 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | -172.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M1 V2 | M1-G35 CarbonylContact C-O 3.55Å; M1-G35 WeakPolarHBondContact CA-O 3.43Å; V2-G35 PolarHBondContact N-O 3.26Å; V2-G35 PolarHBondContact O-N 2.88Å |
| 36 | V | 84.9 | Confident | 71.8 | Confident | 17 Ų | 17 | 73.7 Ų | 73.7 | 10% | 0.103 | 41% | 0.411 | C | S | . | . | trans | -75.4 | 128.8 | 172.1 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | I38 V39 I40 L115 P124 | V36-I38 VanDerWaalsContact C-N 3.3Å; V36-I38 HydrophobicContact CG1-CB 4.48Å; V36-I38 PolarHBondContact O-N 3.3Å; V36-V39 HydrophobicContact CB-CB 4.2Å; V36-V39 HydrophobicContact CB-CG2 3.92Å; V36-V39 HydrophobicContact CG1-CG2 4.31Å; V36-V39 WeakPolarHBondContact O-CB 3.45Å; V36-V39 PolarHBondContact O-N 3.44Å; V36-I40 PolarHBondContact O-N 2.96Å; V36-I40 VanDerWaalsContact O-N 3.08Å; V36-L115 HydrophobicContact CG1-CD1 4.33Å; V36-L115 HydrophobicContact CG2-CD1 4.04Å; V36-L115 HydrophobicContact CG2-CD2 3.8Å; V36-P124 HydrophobicContact CG1-CB 3.99Å; V36-P124 HydrophobicContact CG1-CG 3.99Å; V36-P124 HydrophobicContact CG2-CB 3.74Å; V36-P124 HydrophobicContact CG2-CG 4.03Å | ||
| 37 | D | 85.6 | Confident | 74.3 | Confident | 65 Ų | 65 | 68.6 Ų | 68.6 | 35% | 0.348 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.1 | -42.2 | -173.5 | -176.4 | 72.4 | 0 | 0 | 0 | 113 | V2 R4 V39 I40 N41 | V2-D37 HydrophobicContact CG1-CB 3.88Å; V2-D37 HydrophobicContact CG2-CB 3.78Å; R4-D37 IonicContact CZ-OD1 3.91Å; R4-D37 IonicContact NH2-OD1 2.86Å; R4-D37 PolarHBondContact NH2-OD1 2.86Å; D37-V39 VanDerWaalsContact C-N 3.33Å; D37-V39 PolarHBondContact O-N 3.08Å; D37-I40 PolarHBondContact O-N 3.39Å; D37-N41 WeakPolarHBondContact O-CB 3.29Å; D37-N41 PolarHBondContact O-N 2.86Å; D37-N41 PolarHBondContact O-ND2 3.1Å; D37-N41 PolarHBondContact OD1-ND2 3.46Å; D37-N41 VanDerWaalsContact OD1-ND2 3.1Å; D37-N41 PolarHBondContact OD2-ND2 3.19Å |
| 38 | I | 85.4 | Confident | 76.5 | Confident | 73 Ų | 73 | 71 Ų | 71 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 175 | -74.6 | 171.7 | 0 | 0 | 0 | 112 | V36 H42 L44 M126 | V36-I38 VanDerWaalsContact C-N 3.3Å; V36-I38 HydrophobicContact CG1-CB 4.48Å; V36-I38 PolarHBondContact O-N 3.3Å; I38-H42 WeakPolarHBondContact O-CB 3.19Å; I38-H42 PolarHBondContact O-CD2 2.7Å; I38-H42 VanDerWaalsContact O-CD2 3.28Å; I38-H42 PolarHBondContact O-N 3.44Å; I38-H42 VanDerWaalsContact O-N 3.1Å; I38-L44 HydrophobicContact CG2-CD1 4.1Å; I38-M126 HydrophobicContact CB-SD 4.33Å; I38-M126 HydrophobicContact CG2-SD 3.53Å; I38-M126 VanDerWaalsContact CG2-SD 3.53Å |
| 39 | V | 86.1 | Confident | 78.9 | Confident | 23 Ų | 23 | 69.6 Ų | 69.6 | 14% | 0.139 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 179.8 | 170.6 | 0 | 0 | 0 | 0 | 110.1 | V36 D37 H43 L44 F101 M126 | V36-V39 HydrophobicContact CB-CB 4.2Å; V36-V39 HydrophobicContact CB-CG2 3.92Å; V36-V39 HydrophobicContact CG1-CG2 4.31Å; V36-V39 WeakPolarHBondContact O-CB 3.45Å; V36-V39 PolarHBondContact O-N 3.44Å; D37-V39 VanDerWaalsContact C-N 3.33Å; D37-V39 PolarHBondContact O-N 3.08Å; V39-H43 WeakPolarHBondContact O-CA 3.46Å; V39-H43 PolarHBondContact O-N 2.73Å; V39-H43 VanDerWaalsContact O-N 3.12Å; V39-L44 HydrophobicContact CB-CB 4.45Å; V39-L44 HydrophobicContact CG1-CB 4.19Å; V39-L44 HydrophobicContact CG2-CB 4.48Å; V39-L44 HydrophobicContact CG2-CD1 4.28Å; V39-L44 PolarHBondContact O-N 3.36Å; V39-F101 HydrophobicContact CB-CE1 4.43Å; V39-F101 HydrophobicContact CG1-CD1 4.09Å; V39-F101 HydrophobicContact CG1-CE1 3.63Å; V39-F101 HydrophobicContact CG1-CZ 4.38Å; V39-F101 HydrophobicContact CG2-CD1 4.1Å; V39-F101 HydrophobicContact CG2-CE1 3.87Å; V39-F101 HydrophobicContact CG2-CE2 4.43Å; V39-F101 HydrophobicContact CG2-CG 4.49Å; V39-F101 HydrophobicContact CG2-CZ 4.06Å; V39-M126 HydrophobicContact CG2-CE 4.47Å; V39-M126 HydrophobicContact CG2-SD 4.17Å |
| 40 | I | 86.9 | Confident | 81.3 | Confident | 27 Ų | 27 | 65.5 Ų | 65.5 | 14% | 0.138 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.3 | -49.2 | -179.2 | -63.4 | 165.4 | 0 | 0 | 0 | 110.9 | V2 I33 V36 D37 H42 H43 | V2-I40 HydrophobicContact CG2-CD1 3.74Å; I33-I40 HydrophobicContact CG2-CD1 4.14Å; I33-I40 HydrophobicContact CG2-CG1 4.25Å; V36-I40 PolarHBondContact O-N 2.96Å; V36-I40 VanDerWaalsContact O-N 3.08Å; D37-I40 PolarHBondContact O-N 3.39Å; I40-H42 VanDerWaalsContact C-N 3.33Å; I40-H42 PolarHBondContact O-N 3.39Å; I40-H43 PolarHBondContact O-N 3.29Å |
| 41 | N | 87 | Confident | 83.3 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 35% | 0.348 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.6 | -29.1 | -176 | -73.5 | -33.6 | 0 | 0 | 0 | 114.1 | R4 D37 | R4-N41 PolarHBondContact NH1-OD1 2.85Å; R4-N41 PolarHBondContact NH2-ND2 2.68Å; R4-N41 PolarHBondContact NH2-OD1 3.02Å; D37-N41 WeakPolarHBondContact O-CB 3.29Å; D37-N41 PolarHBondContact O-N 2.86Å; D37-N41 PolarHBondContact O-ND2 3.1Å; D37-N41 PolarHBondContact OD1-ND2 3.46Å; D37-N41 VanDerWaalsContact OD1-ND2 3.1Å; D37-N41 PolarHBondContact OD2-ND2 3.19Å |
| 42 | H | 86.4 | Confident | 85.6 | Confident | 121 Ų | 121 | 70.9 Ų | 70.9 | 56% | 0.56 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 12.9 | -179.2 | -63.1 | -74.8 | 0 | 0 | 0 | 112.7 | I38 I40 L44 | I38-H42 WeakPolarHBondContact O-CB 3.19Å; I38-H42 PolarHBondContact O-CD2 2.7Å; I38-H42 VanDerWaalsContact O-CD2 3.28Å; I38-H42 PolarHBondContact O-N 3.44Å; I38-H42 VanDerWaalsContact O-N 3.1Å; I40-H42 VanDerWaalsContact C-N 3.33Å; I40-H42 PolarHBondContact O-N 3.39Å; H42-L44 HydrophobicContact CB-CD2 4.1Å; H42-L44 HydrophobicContact CB-CG 4.06Å; H42-L44 PolarHBondContact O-N 3.3Å |
| 43 | H | 87.5 | Confident | 87.6 | Confident | 106 Ų | 106 | 69.1 Ų | 69.1 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 41 | 178.6 | -58.6 | -79.2 | 0 | 0 | 0 | 113 | V39 I40 Q45 E104 | V39-H43 WeakPolarHBondContact O-CA 3.46Å; V39-H43 PolarHBondContact O-N 2.73Å; V39-H43 VanDerWaalsContact O-N 3.12Å; I40-H43 PolarHBondContact O-N 3.29Å; H43-Q45 PolarHBondContact O-N 3.19Å; H43-Q45 PolarHBondContact O-NE2 2.89Å; H43-E104 HydrophobicContact CB-CB 4.17Å; H43-E104 HydrophobicContact CB-CG 3.98Å |
| 44 | L | 91.9 | Very high | 89.4 | Confident | 25 Ų | 25 | 66.3 Ų | 66.3 | 13% | 0.131 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 133.4 | -177.8 | -59.5 | -176.5 | 0 | 0 | 0 | 109.8 | I38 V39 H42 F101 V102 M126 | I38-L44 HydrophobicContact CG2-CD1 4.1Å; V39-L44 HydrophobicContact CB-CB 4.45Å; V39-L44 HydrophobicContact CG1-CB 4.19Å; V39-L44 HydrophobicContact CG2-CB 4.48Å; V39-L44 HydrophobicContact CG2-CD1 4.28Å; V39-L44 PolarHBondContact O-N 3.36Å; H42-L44 HydrophobicContact CB-CD2 4.1Å; H42-L44 HydrophobicContact CB-CG 4.06Å; H42-L44 PolarHBondContact O-N 3.3Å; L44-F101 HydrophobicContact CB-CB 4.18Å; L44-F101 HydrophobicContact CB-CD1 3.93Å; L44-F101 HydrophobicContact CB-CG 4.4Å; L44-F101 HydrophobicContact CD1-CB 4.44Å; L44-V102 CarbonylContact C-O 2.85Å; L44-V102 WeakPolarHBondContact CA-O 3.39Å; L44-M126 HydrophobicContact CD1-CE 3.72Å; L44-M126 HydrophobicContact CD1-SD 3.76Å |
| 45 | Q | 92.8 | Very high | 90.6 | Very high | 76 Ų | 76 | 67.7 Ų | 67.7 | 36% | 0.355 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.5 | -177.7 | -55.3 | -59.1 | -54.4 | 0 | 0 | 109.4 | H43 F101 V102 M106 | H43-Q45 PolarHBondContact O-N 3.19Å; H43-Q45 PolarHBondContact O-NE2 2.89Å; Q45-F101 CarbonylContact O-C 3.59Å; Q45-F101 VanDerWaalsContact O-CA 3.31Å; Q45-F101 WeakPolarHBondContact O-CA 3.39Å; Q45-V102 HydrophobicContact CB-CG2 3.93Å; Q45-V102 PolarHBondContact N-O 3.4Å; Q45-V102 PolarHBondContact O-N 3.15Å; Q45-M106 HydrophobicContact CB-CE 4.38Å; Q45-M106 HydrophobicContact CB-CG 4.08Å; Q45-M106 HydrophobicContact CB-SD 4.45Å; Q45-M106 HydrophobicContact CG-CG 3.8Å; Q45-M106 HydrophobicContact CG-SD 4.25Å |
| 46 | E | 93.3 | Very high | 91.5 | Very high | 113 Ų | 113 | 74 Ų | 74 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 137.4 | 174.2 | -169.3 | 171 | -171.4 | 0 | 0 | 109.9 | Q99 F100 F101 | E46-Q99 PolarHBondContact OE1-NE2 3.36Å; E46-F100 CarbonylContact C-O 3.51Å; E46-F100 WeakPolarHBondContact CA-O 3.36Å; E46-F101 HydrophobicContact CB-CD1 4.1Å; E46-F101 HydrophobicContact CB-CE1 3.66Å; E46-F101 HydrophobicContact CB-CZ 4.11Å; E46-F101 HydrophobicContact CG-CE1 4.18Å; E46-F101 HydrophobicContact CG-CZ 4.13Å |
| 47 | T | 93.8 | Very high | 92 | Very high | 44 Ų | 44 | 74.5 Ų | 74.5 | 27% | 0.27 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 162.6 | 175.7 | -170.2 | 0 | 0 | 0 | 0 | 110.1 | F49 F100 V102 | T47-F49 HydrophobicContact CG2-CD2 4.21Å; T47-F49 HydrophobicContact CG2-CE2 3.67Å; T47-F100 HydrophobicContact CG2-CB 3.86Å; T47-F100 PolarHBondContact N-O 3.37Å; T47-F100 WeakPolarHBondContact O-CB 3.5Å; T47-V102 HydrophobicContact CG2-CG1 3.97Å |
| 48 | S | 93 | Very high | 92.5 | Very high | 110 Ų | 110 | 71.7 Ų | 71.7 | 77% | 0.769 | 36% | 0.361 | S | S | * | . | trans | -120.5 | 136.1 | -177.9 | -73.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 49 | F | 94.4 | Very high | 92.9 | Very high | 49 Ų | 49 | 74.5 Ų | 74.5 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | trans | -121.8 | 145.7 | 173.2 | -74.9 | -86 | 0 | 0 | 0 | 111 | T47 Y54 Y57 F95 F100 V112 | T47-F49 HydrophobicContact CG2-CD2 4.21Å; T47-F49 HydrophobicContact CG2-CE2 3.67Å; F49-Y54 HydrophobicContact CB-CD2 4.46Å; F49-Y54 HydrophobicContact CD1-CD2 4.37Å; F49-Y54 HydrophobicContact CD2-CD2 4.16Å; F49-Y54 HydrophobicContact CG-CD2 4.09Å; F49-Y57 HydrophobicContact CE1-CD1 4.44Å; F49-Y57 HydrophobicContact CE1-CG 4.07Å; F49-Y57 HydrophobicContact CZ-CD1 4.28Å; F49-Y57 HydrophobicContact CZ-CD2 4.49Å; F49-Y57 HydrophobicContact CZ-CG 4.12Å; F49-F95 HydrophobicContact CB-CE2 4.38Å; F49-F95 HydrophobicContact CB-CZ 3.81Å; F49-F95 WeakPolarHBondContact O-CE1 3.5Å; F49-F95 VanDerWaalsContact O-CZ 3.28Å; F49-F95 WeakPolarHBondContact O-CZ 3.26Å; F49-F100 HydrophobicContact CD2-CB 3.97Å; F49-F100 AromaticContact CD2-CD1 3.98Å; F49-F100 HydrophobicContact CD2-CD1 3.98Å; F49-F100 HydrophobicContact CD2-CD2 4.29Å; F49-F100 AromaticContact CD2-CG 3.81Å; F49-F100 HydrophobicContact CD2-CG 3.81Å; F49-F100 HydrophobicContact CE2-CB 4.28Å; F49-F100 HydrophobicContact CE2-CG 4.48Å; F49-V112 HydrophobicContact CE2-CG1 4.1Å; F49-V112 HydrophobicContact CE2-CG2 3.78Å; F49-V112 HydrophobicContact CZ-CG2 3.89Å | ||
| 50 | T | 96.8 | Very high | 93.4 | Very high | 86 Ų | 86 | 76.9 Ų | 76.9 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | trans | -78.8 | 155 | 153.3 | 68.3 | 0 | 0 | 0 | 0 | 109.3 | E52 S53 Y54 | T50-E52 PolarHBondContact O-N 3.28Å; T50-E52 VanDerWaalsContact O-N 3.09Å; T50-S53 WeakPolarHBondContact CA-OG 3.08Å; T50-S53 PolarHBondContact N-OG 3.12Å; T50-S53 PolarHBondContact O-N 3.46Å; T50-S53 VanDerWaalsContact O-N 3.17Å; T50-S53 PolarHBondContact O-OG 2.89Å; T50-S53 WeakPolarHBondContact OG1-CB 3.43Å; T50-S53 PolarHBondContact OG1-N 2.81Å; T50-S53 VanDerWaalsContact OG1-N 3.07Å; T50-S53 PolarHBondContact OG1-OG 3.38Å; T50-Y54 PolarHBondContact O-N 3.32Å | ||
| 51 | K | 95.5 | Very high | 93.8 | Very high | 93 Ų | 93 | 76.1 Ų | 76.1 | 40% | 0.404 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.2 | -30 | 176.8 | -169.3 | 167 | 178.5 | 165 | 0 | 112.6 | K55 L92 F95 | K51-K55 VanDerWaalsContact O-CG 3.27Å; K51-K55 WeakPolarHBondContact O-CG 3.11Å; K51-K55 PolarHBondContact O-N 2.89Å; K51-L92 WeakPolarHBondContact CE-O 3.43Å; K51-L92 HydrophobicContact CG-CD2 3.97Å; K51-L92 PolarHBondContact NZ-O 3.42Å; K51-F95 HydrophobicContact CB-CD1 4.28Å; K51-F95 HydrophobicContact CB-CE1 4.35Å; K51-F95 HydrophobicContact CB-CG 4.43Å; K51-F95 HydrophobicContact CG-CG 4.4Å |
| 52 | E | 95.9 | Very high | 94.2 | Very high | 157 Ų | 157 | 74.5 Ų | 74.5 | 73% | 0.734 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -75.8 | -46 | 176.4 | -67.1 | -173.8 | 95.7 | 0 | 0 | 112.9 | T50 Y54 K55 K56 | T50-E52 PolarHBondContact O-N 3.28Å; T50-E52 VanDerWaalsContact O-N 3.09Å; E52-Y54 VanDerWaalsContact C-N 3.31Å; E52-Y54 PolarHBondContact O-N 2.5Å; E52-K55 WeakPolarHBondContact O-CB 3.09Å; E52-K55 PolarHBondContact O-N 3.29Å; E52-K56 PolarHBondContact O-N 3.35Å; E52-K56 VanDerWaalsContact O-N 3.12Å |
| 53 | S | 96.3 | Very high | 94.6 | Very high | 49 Ų | 49 | 74 Ų | 74 | 34% | 0.343 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 176.4 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | T50 K55 K56 Y57 | T50-S53 WeakPolarHBondContact CA-OG 3.08Å; T50-S53 PolarHBondContact N-OG 3.12Å; T50-S53 PolarHBondContact O-N 3.46Å; T50-S53 VanDerWaalsContact O-N 3.17Å; T50-S53 PolarHBondContact O-OG 2.89Å; T50-S53 WeakPolarHBondContact OG1-CB 3.43Å; T50-S53 PolarHBondContact OG1-N 2.81Å; T50-S53 VanDerWaalsContact OG1-N 3.07Å; T50-S53 PolarHBondContact OG1-OG 3.38Å; S53-K55 PolarHBondContact O-N 3.47Å; S53-K56 PolarHBondContact O-N 3.32Å; S53-Y57 WeakPolarHBondContact O-CB 3.44Å; S53-Y57 PolarHBondContact O-N 3.37Å |
| 54 | Y | 96.4 | Very high | 95 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 174.7 | -171.9 | -104.6 | 0 | 0 | 0 | 112.5 | F49 T50 E52 K56 Y57 I58 I91 L92 F95 F100 | F49-Y54 HydrophobicContact CB-CD2 4.46Å; F49-Y54 HydrophobicContact CD1-CD2 4.37Å; F49-Y54 HydrophobicContact CD2-CD2 4.16Å; F49-Y54 HydrophobicContact CG-CD2 4.09Å; T50-Y54 PolarHBondContact O-N 3.32Å; E52-Y54 VanDerWaalsContact C-N 3.31Å; E52-Y54 PolarHBondContact O-N 2.5Å; Y54-K56 VanDerWaalsContact C-N 3.27Å; Y54-K56 PolarHBondContact O-N 3.12Å; Y54-Y57 HydrophobicContact CD2-CD1 4.01Å; Y54-Y57 AromaticContact CE2-CD1 4Å; Y54-Y57 HydrophobicContact CE2-CD1 4Å; Y54-Y57 HydrophobicContact CE2-CE1 4.2Å; Y54-Y57 PolarHBondContact O-N 3.4Å; Y54-I58 HydrophobicContact CE1-CB 4.3Å; Y54-I58 HydrophobicContact CE1-CG2 4.45Å; Y54-I58 WeakPolarHBondContact O-CB 2.96Å; Y54-I58 VanDerWaalsContact O-CG2 3.25Å; Y54-I58 WeakPolarHBondContact O-CG2 3.13Å; Y54-I58 PolarHBondContact O-N 3.07Å; Y54-I91 HydrophobicContact CE1-CG2 3.63Å; Y54-L92 HydrophobicContact CD1-CD2 3.9Å; Y54-F95 HydrophobicContact CD1-CD2 4.3Å; Y54-F95 AromaticContact CD1-CE2 3.98Å; Y54-F95 HydrophobicContact CD1-CE2 3.98Å; Y54-F95 HydrophobicContact CD2-CE2 4.39Å; Y54-F95 HydrophobicContact CG-CD2 4.47Å; Y54-F95 AromaticContact CG-CE2 3.71Å; Y54-F95 HydrophobicContact CG-CE2 3.71Å; Y54-F100 HydrophobicContact CD2-CD1 4.09Å; Y54-F100 AromaticContact CD2-CE1 3.69Å; Y54-F100 HydrophobicContact CD2-CE1 3.69Å; Y54-F100 AromaticContact CE2-CD1 3.88Å; Y54-F100 HydrophobicContact CE2-CD1 3.88Å; Y54-F100 AromaticContact CE2-CE1 3.56Å; Y54-F100 HydrophobicContact CE2-CE1 3.56Å; Y54-F100 HydrophobicContact CG-CE1 4.31Å |
| 55 | K | 95.8 | Very high | 95.1 | Very high | 105 Ų | 105 | 71 Ų | 71 | 46% | 0.457 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.2 | -39.1 | 174.8 | -79.9 | 173.9 | -178.6 | -179.2 | 0 | 112.2 | K51 E52 S53 K59 L92 | K51-K55 VanDerWaalsContact O-CG 3.27Å; K51-K55 WeakPolarHBondContact O-CG 3.11Å; K51-K55 PolarHBondContact O-N 2.89Å; E52-K55 WeakPolarHBondContact O-CB 3.09Å; E52-K55 PolarHBondContact O-N 3.29Å; S53-K55 PolarHBondContact O-N 3.47Å; K55-K59 WeakPolarHBondContact O-CB 3.43Å; K55-K59 PolarHBondContact O-N 3.09Å; K55-L92 HydrophobicContact CG-CD1 3.93Å; K55-L92 HydrophobicContact CG-CD2 3.75Å |
| 56 | K | 96.1 | Very high | 95.3 | Very high | 148 Ų | 148 | 71.2 Ų | 71.2 | 64% | 0.643 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67.5 | -54.2 | 176.5 | -175 | -176.8 | 176 | -171.3 | 0 | 110.3 | E52 S53 Y54 I58 K59 D60 | E52-K56 PolarHBondContact O-N 3.35Å; E52-K56 VanDerWaalsContact O-N 3.12Å; S53-K56 PolarHBondContact O-N 3.32Å; Y54-K56 VanDerWaalsContact C-N 3.27Å; Y54-K56 PolarHBondContact O-N 3.12Å; K56-I58 PolarHBondContact O-N 2.82Å; K56-K59 WeakPolarHBondContact O-CB 3.37Å; K56-K59 PolarHBondContact O-N 3.02Å; K56-D60 PolarHBondContact O-N 3.16Å; K56-D60 VanDerWaalsContact O-N 3.15Å |
| 57 | Y | 96.1 | Very high | 95.4 | Very high | 28 Ų | 28 | 68.5 Ų | 68.5 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -51 | -55.1 | 177.9 | 160.8 | -99 | 0 | 0 | 0 | 111.7 | F49 S53 Y54 K59 D60 Y61 P108 G110 M111 V112 | F49-Y57 HydrophobicContact CE1-CD1 4.44Å; F49-Y57 HydrophobicContact CE1-CG 4.07Å; F49-Y57 HydrophobicContact CZ-CD1 4.28Å; F49-Y57 HydrophobicContact CZ-CD2 4.49Å; F49-Y57 HydrophobicContact CZ-CG 4.12Å; S53-Y57 WeakPolarHBondContact O-CB 3.44Å; S53-Y57 PolarHBondContact O-N 3.37Å; Y54-Y57 HydrophobicContact CD2-CD1 4.01Å; Y54-Y57 AromaticContact CE2-CD1 4Å; Y54-Y57 HydrophobicContact CE2-CD1 4Å; Y54-Y57 HydrophobicContact CE2-CE1 4.2Å; Y54-Y57 PolarHBondContact O-N 3.4Å; Y57-K59 PolarHBondContact O-N 3.06Å; Y57-D60 PolarHBondContact O-N 3.35Å; Y57-Y61 WeakPolarHBondContact O-CB 3.22Å; Y57-Y61 PolarHBondContact O-N 3.07Å; Y57-P108 WeakPolarHBondContact CE2-O 3.27Å; Y57-G110 WeakPolarHBondContact CE2-O 3.48Å; Y57-G110 PolarHBondContact OH-O 2.98Å; Y57-M111 WeakPolarHBondContact OH-CA 3.34Å; Y57-V112 HydrophobicContact CD1-CG2 4.26Å; Y57-V112 HydrophobicContact CE1-CB 3.76Å; Y57-V112 HydrophobicContact CE1-CG2 3.53Å; Y57-V112 HydrophobicContact CE2-CG2 3.92Å; Y57-V112 WeakPolarHBondContact OH-CG2 3.31Å; Y57-V112 PolarHBondContact OH-N 3.43Å |
| 58 | I | 95.8 | Very high | 95.4 | Very high | 7 Ų | 7 | 71 Ų | 71 | 4% | 0.036 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.8 | -29.9 | -173 | -162.7 | 61.1 | 0 | 0 | 0 | 112.2 | Y54 K56 Y61 M62 I88 F129 | Y54-I58 HydrophobicContact CE1-CB 4.3Å; Y54-I58 HydrophobicContact CE1-CG2 4.45Å; Y54-I58 WeakPolarHBondContact O-CB 2.96Å; Y54-I58 VanDerWaalsContact O-CG2 3.25Å; Y54-I58 WeakPolarHBondContact O-CG2 3.13Å; Y54-I58 PolarHBondContact O-N 3.07Å; K56-I58 PolarHBondContact O-N 2.82Å; I58-Y61 HydrophobicContact CD1-CD1 3.96Å; I58-M62 WeakPolarHBondContact O-CB 3.5Å; I58-M62 VanDerWaalsContact O-CG 3.28Å; I58-M62 WeakPolarHBondContact O-CG 3.33Å; I58-M62 PolarHBondContact O-N 2.92Å; I58-I88 HydrophobicContact CD1-CD1 4.29Å; I58-I88 HydrophobicContact CD1-CG1 4.4Å; I58-I88 HydrophobicContact CG1-CD1 3.46Å; I58-I88 VanDerWaalsContact CG1-CD1 3.46Å; I58-I88 HydrophobicContact CG1-CG1 3.68Å; I58-I88 HydrophobicContact CG1-CG2 4.45Å; I58-I88 HydrophobicContact CG2-CD1 4.46Å; I58-I88 HydrophobicContact CG2-CG2 4.05Å; I58-F129 HydrophobicContact CD1-CE2 3.84Å; I58-F129 HydrophobicContact CD1-CZ 4.22Å |
| 59 | K | 94.1 | Very high | 95.6 | Very high | 132 Ų | 132 | 66.1 Ų | 66.1 | 57% | 0.574 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.8 | -42.1 | 174.4 | -177 | -179 | -179.4 | -178.6 | 0 | 111.2 | K55 K56 Y57 K63 | K55-K59 WeakPolarHBondContact O-CB 3.43Å; K55-K59 PolarHBondContact O-N 3.09Å; K56-K59 WeakPolarHBondContact O-CB 3.37Å; K56-K59 PolarHBondContact O-N 3.02Å; Y57-K59 PolarHBondContact O-N 3.06Å; K59-K63 WeakPolarHBondContact O-CG 3.46Å; K59-K63 PolarHBondContact O-N 2.82Å |
| 60 | D | 95.4 | Very high | 95.7 | Very high | 72 Ų | 72 | 68.7 Ų | 68.7 | 39% | 0.385 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -73.9 | -40.3 | 179.6 | -66.6 | -28.9 | 0 | 0 | 0 | 111 | K56 Y57 M62 K63 A64 | K56-D60 PolarHBondContact O-N 3.16Å; K56-D60 VanDerWaalsContact O-N 3.15Å; Y57-D60 PolarHBondContact O-N 3.35Å; D60-M62 PolarHBondContact O-N 2.95Å; D60-K63 WeakPolarHBondContact O-CB 3.29Å; D60-K63 PolarHBondContact O-N 2.99Å; D60-K63 VanDerWaalsContact O-N 3.15Å; D60-K63 IonicContact OD1-NZ 2.78Å; D60-K63 PolarHBondContact OD1-NZ 3.32Å; D60-A64 PolarHBondContact O-N 3.27Å; D60-A64 VanDerWaalsContact O-N 3.07Å |
| 61 | Y | 95.9 | Very high | 95.7 | Very high | 12 Ų | 12 | 71.9 Ų | 71.9 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.2 | -47.5 | 170.6 | 178.7 | -102.5 | 0 | 0 | 0 | 112.5 | Y57 I58 K63 A64 I65 M111 F129 | Y57-Y61 WeakPolarHBondContact O-CB 3.22Å; Y57-Y61 PolarHBondContact O-N 3.07Å; I58-Y61 HydrophobicContact CD1-CD1 3.96Å; Y61-K63 VanDerWaalsContact C-N 3.29Å; Y61-K63 PolarHBondContact O-N 3.15Å; Y61-A64 PolarHBondContact O-N 3.29Å; Y61-A64 VanDerWaalsContact O-N 3.16Å; Y61-I65 HydrophobicContact CD1-CG1 4.37Å; Y61-I65 HydrophobicContact CD2-CG1 4.48Å; Y61-I65 HydrophobicContact CE1-CG1 3.84Å; Y61-I65 HydrophobicContact CE2-CD1 4.03Å; Y61-I65 HydrophobicContact CE2-CG1 3.95Å; Y61-I65 PolarHBondContact O-N 2.97Å; Y61-M111 HydrophobicContact CE2-CB 3.93Å; Y61-M111 HydrophobicContact CE2-CG 4.37Å; Y61-M111 WeakPolarHBondContact OH-CE 3.5Å; Y61-F129 HydrophobicContact CE1-CB 4.39Å; Y61-F129 AromaticContact CE1-CD2 3.85Å; Y61-F129 HydrophobicContact CE1-CD2 3.85Å; Y61-F129 HydrophobicContact CE1-CG 4.31Å |
| 62 | M | 94.9 | Very high | 95.6 | Very high | 30 Ų | 30 | 72.9 Ų | 72.9 | 15% | 0.148 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.9 | -39 | 176.6 | -82 | -168.8 | 73.7 | 0 | 0 | 112.8 | I58 D60 K66 M81 A84 I88 | I58-M62 WeakPolarHBondContact O-CB 3.5Å; I58-M62 VanDerWaalsContact O-CG 3.28Å; I58-M62 WeakPolarHBondContact O-CG 3.33Å; I58-M62 PolarHBondContact O-N 2.92Å; D60-M62 PolarHBondContact O-N 2.95Å; M62-K66 VanDerWaalsContact O-CB 3.27Å; M62-K66 WeakPolarHBondContact O-CB 3.41Å; M62-K66 PolarHBondContact O-N 3.21Å; M62-M81 HydrophobicContact CB-CE 4.36Å; M62-M81 HydrophobicContact CE-CE 3.65Å; M62-M81 HydrophobicContact CE-SD 3.68Å; M62-M81 WeakPolarHBondContact O-CE 3.25Å; M62-A84 HydrophobicContact CE-CB 3.82Å; M62-A84 HydrophobicContact SD-CB 4.3Å; M62-I88 HydrophobicContact CG-CD1 3.94Å; M62-I88 HydrophobicContact SD-CD1 3.19Å; M62-I88 WeakPolarHBondContact SD-CD1 3.49Å |
| 63 | K | 94.8 | Very high | 95.5 | Very high | 111 Ų | 111 | 71 Ų | 71 | 48% | 0.483 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 176.9 | -67.9 | 168.8 | -167.6 | 159 | 0 | 111.2 | K59 D60 Y61 K66 A67 | K59-K63 WeakPolarHBondContact O-CG 3.46Å; K59-K63 PolarHBondContact O-N 2.82Å; D60-K63 WeakPolarHBondContact O-CB 3.29Å; D60-K63 PolarHBondContact O-N 2.99Å; D60-K63 VanDerWaalsContact O-N 3.15Å; D60-K63 IonicContact OD1-NZ 2.78Å; D60-K63 PolarHBondContact OD1-NZ 3.32Å; Y61-K63 VanDerWaalsContact C-N 3.29Å; Y61-K63 PolarHBondContact O-N 3.15Å; K63-K66 WeakPolarHBondContact O-CB 3.19Å; K63-K66 PolarHBondContact O-N 3.49Å; K63-A67 PolarHBondContact O-N 3.45Å |
| 64 | A | 95.4 | Very high | 95.5 | Very high | 56 Ų | 56 | 72.4 Ų | 72.4 | 46% | 0.463 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D60 Y61 K66 A67 R68 | D60-A64 PolarHBondContact O-N 3.27Å; D60-A64 VanDerWaalsContact O-N 3.07Å; Y61-A64 PolarHBondContact O-N 3.29Å; Y61-A64 VanDerWaalsContact O-N 3.16Å; A64-K66 VanDerWaalsContact C-N 3.34Å; A64-K66 PolarHBondContact O-N 3.24Å; A64-A67 PolarHBondContact O-N 3.33Å; A64-R68 PolarHBondContact O-N 3.08Å; A64-R68 VanDerWaalsContact O-N 3.08Å |
| 65 | I | 95.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 78.6 Ų | 78.6 | 7% | 0.067 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.8 | -40 | 175.9 | -59.8 | -51.9 | 0 | 0 | 0 | 111.3 | Y61 A67 R68 L69 F80 D131 | Y61-I65 HydrophobicContact CD1-CG1 4.37Å; Y61-I65 HydrophobicContact CD2-CG1 4.48Å; Y61-I65 HydrophobicContact CE1-CG1 3.84Å; Y61-I65 HydrophobicContact CE2-CD1 4.03Å; Y61-I65 HydrophobicContact CE2-CG1 3.95Å; Y61-I65 PolarHBondContact O-N 2.97Å; I65-A67 PolarHBondContact O-N 3.35Å; I65-R68 PolarHBondContact O-N 3.38Å; I65-L69 HydrophobicContact CG2-CD1 3.94Å; I65-L69 HydrophobicContact CG2-CG 4.08Å; I65-L69 WeakPolarHBondContact O-CB 3.27Å; I65-L69 VanDerWaalsContact O-CG 3.29Å; I65-L69 WeakPolarHBondContact O-CG 3.49Å; I65-L69 PolarHBondContact O-N 2.95Å; I65-F80 HydrophobicContact CB-CE1 3.66Å; I65-F80 HydrophobicContact CB-CZ 3.87Å; I65-F80 HydrophobicContact CG1-CZ 4.34Å; I65-F80 HydrophobicContact CG2-CD1 3.85Å; I65-F80 HydrophobicContact CG2-CE1 3.33Å; I65-F80 HydrophobicContact CG2-CE2 4.16Å; I65-F80 HydrophobicContact CG2-CG 4.47Å; I65-F80 HydrophobicContact CG2-CZ 3.52Å; I65-D131 HydrophobicContact CG2-CB 4.38Å |
| 66 | K | 95.4 | Very high | 95.6 | Very high | 79 Ų | 79 | 77.9 Ų | 77.9 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56 | -50.8 | 175.6 | -169.6 | -173.2 | 163.1 | -164.5 | 0 | 111.5 | M62 K63 A64 R68 L69 E70 V77 M81 | M62-K66 VanDerWaalsContact O-CB 3.27Å; M62-K66 WeakPolarHBondContact O-CB 3.41Å; M62-K66 PolarHBondContact O-N 3.21Å; K63-K66 WeakPolarHBondContact O-CB 3.19Å; K63-K66 PolarHBondContact O-N 3.49Å; A64-K66 VanDerWaalsContact C-N 3.34Å; A64-K66 PolarHBondContact O-N 3.24Å; K66-R68 VanDerWaalsContact C-N 3.32Å; K66-R68 PolarHBondContact O-N 3.43Å; K66-L69 PolarHBondContact O-N 3.1Å; K66-E70 WeakPolarHBondContact CE-OE1 3.35Å; K66-E70 IonicContact NZ-OE1 3.39Å; K66-E70 PolarHBondContact NZ-OE1 2.88Å; K66-E70 WeakPolarHBondContact O-CG 3.08Å; K66-E70 PolarHBondContact O-N 2.83Å; K66-V77 HydrophobicContact CG-CG1 3.98Å; K66-M81 HydrophobicContact CB-CE 3.61Å; K66-M81 HydrophobicContact CB-SD 4.26Å; K66-M81 HydrophobicContact CD-CE 4.43Å; K66-M81 HydrophobicContact CD-SD 3.96Å; K66-M81 HydrophobicContact CG-CE 4.02Å; K66-M81 HydrophobicContact CG-SD 4.15Å |
| 67 | A | 96.3 | Very high | 95.6 | Very high | 56 Ų | 56 | 71.8 Ų | 71.8 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K63 A64 I65 L69 E70 E71 | K63-A67 PolarHBondContact O-N 3.45Å; A64-A67 PolarHBondContact O-N 3.33Å; I65-A67 PolarHBondContact O-N 3.35Å; A67-L69 PolarHBondContact O-N 3.25Å; A67-E70 PolarHBondContact O-N 3.19Å; A67-E71 PolarHBondContact O-N 2.91Å |
| 68 | R | 94.7 | Very high | 95.5 | Very high | 97 Ų | 97 | 78.3 Ų | 78.3 | 37% | 0.366 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 175.2 | -172.8 | -177 | -172.8 | 171.6 | 12.2 | 112.5 | A64 I65 K66 E71 H72 E134 | A64-R68 PolarHBondContact O-N 3.08Å; A64-R68 VanDerWaalsContact O-N 3.08Å; I65-R68 PolarHBondContact O-N 3.38Å; K66-R68 VanDerWaalsContact C-N 3.32Å; K66-R68 PolarHBondContact O-N 3.43Å; R68-E71 PolarHBondContact O-N 3.38Å; R68-H72 PolarHBondContact O-CD2 2.98Å; R68-H72 VanDerWaalsContact O-CD2 3.26Å; R68-H72 PolarHBondContact O-N 3.12Å; R68-H72 VanDerWaalsContact O-N 3.07Å; R68-E134 IonicContact CZ-OE1 3.86Å; R68-E134 IonicContact CZ-OE2 3.1Å; R68-E134 IonicContact NH1-OE2 2.87Å; R68-E134 IonicContact NH2-OE1 3.81Å; R68-E134 PolarHBondContact NH2-OE1 3.47Å; R68-E134 IonicContact NH2-OE2 3.47Å; R68-E134 PolarHBondContact NH2-OE2 2.72Å |
| 69 | L | 96.3 | Very high | 95.5 | Very high | 8 Ų | 8 | 81.1 Ų | 81.1 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.9 | -39 | 177.4 | -70.2 | 177.9 | 0 | 0 | 0 | 111.5 | I65 K66 A67 E71 H72 K73 P74 R76 V77 F80 D131 | I65-L69 HydrophobicContact CG2-CD1 3.94Å; I65-L69 HydrophobicContact CG2-CG 4.08Å; I65-L69 WeakPolarHBondContact O-CB 3.27Å; I65-L69 VanDerWaalsContact O-CG 3.29Å; I65-L69 WeakPolarHBondContact O-CG 3.49Å; I65-L69 PolarHBondContact O-N 2.95Å; K66-L69 PolarHBondContact O-N 3.1Å; A67-L69 PolarHBondContact O-N 3.25Å; L69-E71 PolarHBondContact O-N 3.23Å; L69-H72 PolarHBondContact O-N 3.18Å; L69-K73 HydrophobicContact CD2-CB 4.2Å; L69-K73 CarbonylContact O-C 3.58Å; L69-K73 WeakPolarHBondContact O-CA 3.41Å; L69-K73 PolarHBondContact O-N 2.87Å; L69-P74 VanDerWaalsContact O-CA 3.31Å; L69-P74 WeakPolarHBondContact O-CA 3Å; L69-R76 HydrophobicContact CD1-CB 4.3Å; L69-R76 HydrophobicContact CD2-CB 4.01Å; L69-V77 HydrophobicContact CB-CG2 3.61Å; L69-F80 HydrophobicContact CD1-CB 3.71Å; L69-F80 HydrophobicContact CD1-CD1 3.69Å; L69-F80 HydrophobicContact CD1-CG 3.8Å; L69-D131 HydrophobicContact CD1-CB 4.07Å; L69-D131 HydrophobicContact CD2-CB 4.27Å |
| 70 | E | 96.5 | Very high | 95.6 | Very high | 103 Ų | 103 | 75.2 Ų | 75.2 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59 | -35.2 | 175.7 | -75.3 | 174.2 | 152 | 0 | 0 | 111.9 | K66 A67 V77 | K66-E70 WeakPolarHBondContact CE-OE1 3.35Å; K66-E70 IonicContact NZ-OE1 3.39Å; K66-E70 PolarHBondContact NZ-OE1 2.88Å; K66-E70 WeakPolarHBondContact O-CG 3.08Å; K66-E70 PolarHBondContact O-N 2.83Å; A67-E70 PolarHBondContact O-N 3.19Å; E70-V77 HydrophobicContact CB-CG2 4.44Å; E70-V77 HydrophobicContact CG-CG1 4.41Å; E70-V77 HydrophobicContact CG-CG2 3.66Å |
| 71 | E | 96.1 | Very high | 95.5 | Very high | 152 Ų | 152 | 74 Ų | 74 | 71% | 0.71 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -77.7 | -44.4 | 178.3 | -171.9 | 170.8 | 107.3 | 0 | 0 | 113.4 | A67 R68 L69 | A67-E71 PolarHBondContact O-N 2.91Å; R68-E71 PolarHBondContact O-N 3.38Å; L69-E71 PolarHBondContact O-N 3.23Å |
| 72 | H | 94.4 | Very high | 95.5 | Very high | 115 Ų | 115 | 77.1 Ų | 77.1 | 53% | 0.532 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -106.2 | -30.5 | -169 | -59.1 | -61.2 | 0 | 0 | 0 | 115.1 | R68 L69 | R68-H72 PolarHBondContact O-CD2 2.98Å; R68-H72 VanDerWaalsContact O-CD2 3.26Å; R68-H72 PolarHBondContact O-N 3.12Å; R68-H72 VanDerWaalsContact O-N 3.07Å; L69-H72 PolarHBondContact O-N 3.18Å |
| 73 | K | 94.6 | Very high | 95.5 | Very high | 116 Ų | 116 | 77.4 Ų | 77.4 | 50% | 0.504 | 40% | 0.395 | S | S | . | . | trans | -148.4 | 60.5 | -171.8 | -63 | -179.6 | -175.7 | 164.9 | 0 | 110.7 | L69 E75 R76 | L69-K73 HydrophobicContact CD2-CB 4.2Å; L69-K73 CarbonylContact O-C 3.58Å; L69-K73 WeakPolarHBondContact O-CA 3.41Å; L69-K73 PolarHBondContact O-N 2.87Å; K73-E75 VanDerWaalsContact C-OE2 3.24Å; K73-E75 PolarHBondContact O-N 2.78Å; K73-E75 VanDerWaalsContact O-N 3.07Å; K73-R76 HydrophobicContact CB-CB 4.24Å; K73-R76 HydrophobicContact CB-CG 4.01Å; K73-R76 WeakPolarHBondContact O-CB 3.37Å; K73-R76 PolarHBondContact O-N 2.86Å | ||
| 74 | P | 95.7 | Very high | 95.4 | Very high | 79 Ų | 79 | 72.3 Ų | 72.3 | 51% | 0.513 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.5 | -28.5 | -169.7 | 21.7 | -33.8 | 0 | 0 | 0 | 113.1 | L69 R76 V77 | L69-P74 VanDerWaalsContact O-CA 3.31Å; L69-P74 WeakPolarHBondContact O-CA 3Å; P74-R76 PolarHBondContact O-N 2.83Å; P74-V77 WeakPolarHBondContact O-CB 3.34Å; P74-V77 VanDerWaalsContact O-CG2 3.29Å; P74-V77 WeakPolarHBondContact O-CG2 3.42Å; P74-V77 PolarHBondContact O-N 3.47Å |
| 75 | E | 96.6 | Very high | 95.4 | Very high | 132 Ų | 132 | 71.6 Ų | 71.6 | 62% | 0.617 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.3 | -23.5 | 175.2 | 71.9 | -75.6 | 176.2 | 0 | 0 | 113.8 | K73 P79 | K73-E75 VanDerWaalsContact C-OE2 3.24Å; K73-E75 PolarHBondContact O-N 2.78Å; K73-E75 VanDerWaalsContact O-N 3.07Å; E75-P79 WeakPolarHBondContact O-CD 3.28Å |
| 76 | R | 96.4 | Very high | 95.4 | Very high | 89 Ų | 89 | 77 Ų | 77 | 34% | 0.336 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -84 | -15.5 | 178.3 | -67.1 | -64.8 | -58.8 | 161.3 | 4.9 | 113.5 | L69 K73 P74 K78 P79 F80 D131 | L69-R76 HydrophobicContact CD1-CB 4.3Å; L69-R76 HydrophobicContact CD2-CB 4.01Å; K73-R76 HydrophobicContact CB-CB 4.24Å; K73-R76 HydrophobicContact CB-CG 4.01Å; K73-R76 WeakPolarHBondContact O-CB 3.37Å; K73-R76 PolarHBondContact O-N 2.86Å; P74-R76 PolarHBondContact O-N 2.83Å; R76-K78 PolarHBondContact O-N 2.93Å; R76-P79 WeakPolarHBondContact O-CD 3.45Å; R76-F80 VanDerWaalsContact O-CB 3.25Å; R76-F80 WeakPolarHBondContact O-CB 3.46Å; R76-F80 PolarHBondContact O-N 3.03Å; R76-D131 IonicContact CZ-OD1 3.66Å; R76-D131 IonicContact CZ-OD2 2.68Å; R76-D131 IonicContact NE-OD1 2.94Å; R76-D131 PolarHBondContact NE-OD1 3.39Å; R76-D131 IonicContact NH2-OD1 3.98Å; R76-D131 PolarHBondContact NH2-OD1 2.87Å; R76-D131 VanDerWaalsContact NH2-OD1 3.1Å; R76-D131 IonicContact NH2-OD2 2.8Å; R76-D131 PolarHBondContact NH2-OD2 2.82Å |
| 77 | V | 95.9 | Very high | 95.3 | Very high | 20 Ų | 20 | 76.4 Ų | 76.4 | 12% | 0.121 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56.2 | -53 | -176 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | K66 L69 E70 P74 F80 M81 | K66-V77 HydrophobicContact CG-CG1 3.98Å; L69-V77 HydrophobicContact CB-CG2 3.61Å; E70-V77 HydrophobicContact CB-CG2 4.44Å; E70-V77 HydrophobicContact CG-CG1 4.41Å; E70-V77 HydrophobicContact CG-CG2 3.66Å; P74-V77 WeakPolarHBondContact O-CB 3.34Å; P74-V77 VanDerWaalsContact O-CG2 3.29Å; P74-V77 WeakPolarHBondContact O-CG2 3.42Å; P74-V77 PolarHBondContact O-N 3.47Å; V77-F80 PolarHBondContact O-N 3.46Å; V77-M81 HydrophobicContact CG1-CG 4.34Å; V77-M81 WeakPolarHBondContact O-CB 3.43Å; V77-M81 WeakPolarHBondContact O-CG 3.5Å; V77-M81 PolarHBondContact O-N 2.61Å |
| 78 | K | 95.3 | Very high | 95.3 | Very high | 166 Ų | 166 | 74.5 Ų | 74.5 | 72% | 0.722 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.7 | -50.1 | -176.7 | -179.3 | -179.6 | -178.4 | -177.1 | 0 | 112.3 | R76 F80 M81 T82 | R76-K78 PolarHBondContact O-N 2.93Å; K78-F80 VanDerWaalsContact C-N 3.31Å; K78-F80 PolarHBondContact O-N 3.3Å; K78-M81 PolarHBondContact O-N 3.06Å; K78-T82 PolarHBondContact O-N 3.44Å; K78-T82 VanDerWaalsContact O-N 3.12Å; K78-T82 PolarHBondContact O-OG1 3.01Å |
| 79 | P | 96.1 | Very high | 95.3 | Very high | 66 Ų | 66 | 77.1 Ų | 77.1 | 43% | 0.429 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -54.3 | -44.2 | 173.7 | -26.8 | 33.6 | 0 | 0 | 0 | 113.4 | E75 R76 G83 | E75-P79 WeakPolarHBondContact O-CD 3.28Å; R76-P79 WeakPolarHBondContact O-CD 3.45Å; P79-G83 PolarHBondContact O-N 2.78Å |
| 80 | F | 95.3 | Very high | 95.3 | Very high | 8 Ų | 8 | 81.1 Ų | 81.1 | 4% | 0.035 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.7 | -50.3 | 179.5 | 173.6 | -111.4 | 0 | 0 | 0 | 111.7 | I65 L69 R76 V77 K78 T82 G83 A84 F129 D131 | I65-F80 HydrophobicContact CB-CE1 3.66Å; I65-F80 HydrophobicContact CB-CZ 3.87Å; I65-F80 HydrophobicContact CG1-CZ 4.34Å; I65-F80 HydrophobicContact CG2-CD1 3.85Å; I65-F80 HydrophobicContact CG2-CE1 3.33Å; I65-F80 HydrophobicContact CG2-CE2 4.16Å; I65-F80 HydrophobicContact CG2-CG 4.47Å; I65-F80 HydrophobicContact CG2-CZ 3.52Å; L69-F80 HydrophobicContact CD1-CB 3.71Å; L69-F80 HydrophobicContact CD1-CD1 3.69Å; L69-F80 HydrophobicContact CD1-CG 3.8Å; R76-F80 VanDerWaalsContact O-CB 3.25Å; R76-F80 WeakPolarHBondContact O-CB 3.46Å; R76-F80 PolarHBondContact O-N 3.03Å; V77-F80 PolarHBondContact O-N 3.46Å; K78-F80 VanDerWaalsContact C-N 3.31Å; K78-F80 PolarHBondContact O-N 3.3Å; F80-T82 VanDerWaalsContact C-N 3.31Å; F80-T82 PolarHBondContact O-N 2.85Å; F80-G83 PolarHBondContact O-N 2.6Å; F80-A84 HydrophobicContact CD2-CB 4.29Å; F80-A84 HydrophobicContact CE2-CB 3.98Å; F80-A84 HydrophobicContact CZ-CB 4.14Å; F80-A84 WeakPolarHBondContact O-CB 3.38Å; F80-A84 PolarHBondContact O-N 3.23Å; F80-F129 HydrophobicContact CE2-CB 4.37Å; F80-F129 HydrophobicContact CE2-CD1 4.23Å; F80-D131 HydrophobicContact CB-CB 4.38Å; F80-D131 HydrophobicContact CD2-CB 3.63Å; F80-D131 HydrophobicContact CE2-CB 4.13Å; F80-D131 HydrophobicContact CG-CB 4.04Å |
| 81 | M | 94.4 | Very high | 95.2 | Very high | 45 Ų | 45 | 76.2 Ų | 76.2 | 22% | 0.222 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.1 | -40.6 | -178.9 | -71.1 | -72.9 | 110 | 0 | 0 | 112.5 | M62 K66 V77 K78 A85 | M62-M81 HydrophobicContact CB-CE 4.36Å; M62-M81 HydrophobicContact CE-CE 3.65Å; M62-M81 HydrophobicContact CE-SD 3.68Å; M62-M81 WeakPolarHBondContact O-CE 3.25Å; K66-M81 HydrophobicContact CB-CE 3.61Å; K66-M81 HydrophobicContact CB-SD 4.26Å; K66-M81 HydrophobicContact CD-CE 4.43Å; K66-M81 HydrophobicContact CD-SD 3.96Å; K66-M81 HydrophobicContact CG-CE 4.02Å; K66-M81 HydrophobicContact CG-SD 4.15Å; V77-M81 HydrophobicContact CG1-CG 4.34Å; V77-M81 WeakPolarHBondContact O-CB 3.43Å; V77-M81 WeakPolarHBondContact O-CG 3.5Å; V77-M81 PolarHBondContact O-N 2.61Å; K78-M81 PolarHBondContact O-N 3.06Å; M81-A85 VanDerWaalsContact O-CB 3.27Å; M81-A85 WeakPolarHBondContact O-CB 3.13Å; M81-A85 PolarHBondContact O-N 2.96Å |
| 82 | T | 95.1 | Very high | 95.2 | Very high | 79 Ų | 79 | 70.2 Ų | 70.2 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.5 | -54.4 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | K78 F80 A84 A85 E86 | K78-T82 PolarHBondContact O-N 3.44Å; K78-T82 VanDerWaalsContact O-N 3.12Å; K78-T82 PolarHBondContact O-OG1 3.01Å; F80-T82 VanDerWaalsContact C-N 3.31Å; F80-T82 PolarHBondContact O-N 2.85Å; T82-A84 PolarHBondContact O-N 3.15Å; T82-A85 PolarHBondContact O-N 3.16Å; T82-E86 PolarHBondContact O-N 2.75Å |
| 83 | G | 94.4 | Very high | 95.3 | Very high | 36 Ų | 36 | 68.3 Ų | 68.3 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | P79 F80 A85 E86 Q87 | P79-G83 PolarHBondContact O-N 2.78Å; F80-G83 PolarHBondContact O-N 2.6Å; G83-A85 PolarHBondContact O-N 2.93Å; G83-E86 PolarHBondContact O-N 3.26Å; G83-Q87 WeakPolarHBondContact O-CB 3.48Å; G83-Q87 PolarHBondContact O-N 2.87Å |
| 84 | A | 94.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 65.4 Ų | 65.4 | 3% | 0.033 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M62 F80 T82 E86 Q87 I88 F129 | M62-A84 HydrophobicContact CE-CB 3.82Å; M62-A84 HydrophobicContact SD-CB 4.3Å; F80-A84 HydrophobicContact CD2-CB 4.29Å; F80-A84 HydrophobicContact CE2-CB 3.98Å; F80-A84 HydrophobicContact CZ-CB 4.14Å; F80-A84 WeakPolarHBondContact O-CB 3.38Å; F80-A84 PolarHBondContact O-N 3.23Å; T82-A84 PolarHBondContact O-N 3.15Å; A84-E86 VanDerWaalsContact C-N 3.32Å; A84-E86 PolarHBondContact O-N 3.18Å; A84-Q87 PolarHBondContact O-N 2.88Å; A84-I88 HydrophobicContact CB-CD1 4.43Å; A84-I88 WeakPolarHBondContact O-CB 3.26Å; A84-I88 VanDerWaalsContact O-CD1 3.29Å; A84-I88 WeakPolarHBondContact O-CD1 3.33Å; A84-I88 WeakPolarHBondContact O-CG1 3.48Å; A84-I88 PolarHBondContact O-N 2.84Å; A84-F129 HydrophobicContact CB-CE1 4.2Å |
| 85 | A | 94.1 | Very high | 95.2 | Very high | 40 Ų | 40 | 62.9 Ų | 62.9 | 33% | 0.331 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M81 T82 G83 K89 | M81-A85 VanDerWaalsContact O-CB 3.27Å; M81-A85 WeakPolarHBondContact O-CB 3.13Å; M81-A85 PolarHBondContact O-N 2.96Å; T82-A85 PolarHBondContact O-N 3.16Å; G83-A85 PolarHBondContact O-N 2.93Å; A85-K89 WeakPolarHBondContact O-CG 3.38Å; A85-K89 PolarHBondContact O-N 2.86Å |
| 86 | E | 95.4 | Very high | 95.1 | Very high | 128 Ų | 128 | 66.2 Ų | 66.2 | 60% | 0.598 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.6 | -47.5 | 174.3 | -67.5 | -177 | 116 | 0 | 0 | 111.4 | T82 G83 A84 I88 K89 H90 | T82-E86 PolarHBondContact O-N 2.75Å; G83-E86 PolarHBondContact O-N 3.26Å; A84-E86 VanDerWaalsContact C-N 3.32Å; A84-E86 PolarHBondContact O-N 3.18Å; E86-I88 VanDerWaalsContact C-N 3.31Å; E86-I88 PolarHBondContact O-N 2.9Å; E86-K89 WeakPolarHBondContact O-CB 3.36Å; E86-K89 PolarHBondContact O-N 2.95Å; E86-H90 PolarHBondContact O-N 3.46Å; E86-H90 VanDerWaalsContact O-N 3.14Å |
| 87 | Q | 94.6 | Very high | 94.9 | Very high | 65 Ų | 65 | 66.5 Ų | 66.5 | 30% | 0.304 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 179.7 | -169.9 | 62.3 | 4.5 | 0 | 0 | 112.2 | G83 A84 K89 H90 I91 F129 | G83-Q87 WeakPolarHBondContact O-CB 3.48Å; G83-Q87 PolarHBondContact O-N 2.87Å; A84-Q87 PolarHBondContact O-N 2.88Å; Q87-K89 VanDerWaalsContact C-N 3.34Å; Q87-K89 PolarHBondContact O-N 3.07Å; Q87-H90 WeakPolarHBondContact O-CB 3.42Å; Q87-H90 PolarHBondContact O-N 2.94Å; Q87-H90 VanDerWaalsContact O-N 3.17Å; Q87-I91 HydrophobicContact CG-CD1 4Å; Q87-I91 VanDerWaalsContact O-CG1 3.3Å; Q87-I91 WeakPolarHBondContact O-CG1 3.24Å; Q87-I91 PolarHBondContact O-N 3.38Å; Q87-F129 HydrophobicContact CB-CE1 4.48Å; Q87-F129 HydrophobicContact CG-CE1 4.43Å |
| 88 | I | 94.8 | Very high | 94.8 | Very high | 16 Ų | 16 | 66.1 Ų | 66.1 | 8% | 0.082 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 176.7 | -68.8 | 163.3 | 0 | 0 | 0 | 111.3 | I58 M62 A84 E86 H90 I91 L92 F129 | I58-I88 HydrophobicContact CD1-CD1 4.29Å; I58-I88 HydrophobicContact CD1-CG1 4.4Å; I58-I88 HydrophobicContact CG1-CD1 3.46Å; I58-I88 VanDerWaalsContact CG1-CD1 3.46Å; I58-I88 HydrophobicContact CG1-CG1 3.68Å; I58-I88 HydrophobicContact CG1-CG2 4.45Å; I58-I88 HydrophobicContact CG2-CD1 4.46Å; I58-I88 HydrophobicContact CG2-CG2 4.05Å; M62-I88 HydrophobicContact CG-CD1 3.94Å; M62-I88 HydrophobicContact SD-CD1 3.19Å; M62-I88 WeakPolarHBondContact SD-CD1 3.49Å; A84-I88 HydrophobicContact CB-CD1 4.43Å; A84-I88 WeakPolarHBondContact O-CB 3.26Å; A84-I88 VanDerWaalsContact O-CD1 3.29Å; A84-I88 WeakPolarHBondContact O-CD1 3.33Å; A84-I88 WeakPolarHBondContact O-CG1 3.48Å; A84-I88 PolarHBondContact O-N 2.84Å; E86-I88 VanDerWaalsContact C-N 3.31Å; E86-I88 PolarHBondContact O-N 2.9Å; I88-H90 VanDerWaalsContact C-N 3.3Å; I88-H90 PolarHBondContact O-N 3.17Å; I88-I91 PolarHBondContact O-N 2.8Å; I88-L92 HydrophobicContact CG2-CD1 3.88Å; I88-L92 HydrophobicContact CG2-CG 4.28Å; I88-L92 WeakPolarHBondContact O-CB 3.47Å; I88-L92 VanDerWaalsContact O-CG 3.26Å; I88-L92 WeakPolarHBondContact O-CG 3.4Å; I88-L92 PolarHBondContact O-N 3.45Å; I88-F129 HydrophobicContact CG1-CZ 4.3Å |
| 89 | K | 95.6 | Very high | 94.8 | Very high | 152 Ų | 152 | 61.7 Ų | 61.7 | 66% | 0.661 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.4 | -43.5 | 173.3 | -71.5 | 170.2 | -174.3 | 175.2 | 0 | 110.8 | A85 E86 Q87 L92 A93 | A85-K89 WeakPolarHBondContact O-CG 3.38Å; A85-K89 PolarHBondContact O-N 2.86Å; E86-K89 WeakPolarHBondContact O-CB 3.36Å; E86-K89 PolarHBondContact O-N 2.95Å; Q87-K89 VanDerWaalsContact C-N 3.34Å; Q87-K89 PolarHBondContact O-N 3.07Å; K89-L92 PolarHBondContact O-N 3.39Å; K89-A93 WeakPolarHBondContact O-CB 3.34Å; K89-A93 PolarHBondContact O-N 2.85Å |
| 90 | H | 95.3 | Very high | 94.8 | Very high | 92 Ų | 92 | 59 Ų | 59 | 43% | 0.426 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 177.3 | -173.3 | 80.2 | 0 | 0 | 0 | 112 | E86 Q87 I88 L92 A93 N94 Y98 | E86-H90 PolarHBondContact O-N 3.46Å; E86-H90 VanDerWaalsContact O-N 3.14Å; Q87-H90 WeakPolarHBondContact O-CB 3.42Å; Q87-H90 PolarHBondContact O-N 2.94Å; Q87-H90 VanDerWaalsContact O-N 3.17Å; I88-H90 VanDerWaalsContact C-N 3.3Å; I88-H90 PolarHBondContact O-N 3.17Å; H90-L92 VanDerWaalsContact C-N 3.34Å; H90-L92 PolarHBondContact O-N 3.14Å; H90-A93 WeakPolarHBondContact O-CB 3.3Å; H90-A93 PolarHBondContact O-N 2.86Å; H90-N94 PolarHBondContact CE1-ND2 3.47Å; H90-N94 PolarHBondContact NE2-ND2 3.18Å; H90-N94 PolarHBondContact O-N 3.23Å; H90-N94 VanDerWaalsContact O-N 3.09Å; H90-N94 PolarHBondContact O-ND2 2.92Å; H90-Y98 PolarHBondContact CD2-OH 2.84Å |
| 91 | I | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 176.4 | -67.2 | 159.7 | 0 | 0 | 0 | 110.8 | Y54 Q87 I88 A93 N94 F95 Y98 L114 F129 | Y54-I91 HydrophobicContact CE1-CG2 3.63Å; Q87-I91 HydrophobicContact CG-CD1 4Å; Q87-I91 VanDerWaalsContact O-CG1 3.3Å; Q87-I91 WeakPolarHBondContact O-CG1 3.24Å; Q87-I91 PolarHBondContact O-N 3.38Å; I88-I91 PolarHBondContact O-N 2.8Å; I91-A93 VanDerWaalsContact C-N 3.31Å; I91-A93 PolarHBondContact O-N 2.85Å; I91-N94 CarbonylContact O-C 3.35Å; I91-N94 PolarHBondContact O-N 2.9Å; I91-F95 WeakPolarHBondContact O-CA 3.35Å; I91-F95 PolarHBondContact O-N 3.23Å; I91-Y98 HydrophobicContact CB-CE2 4.33Å; I91-Y98 HydrophobicContact CG1-CE2 4.32Å; I91-Y98 HydrophobicContact CG2-CD2 4.13Å; I91-Y98 HydrophobicContact CG2-CE2 4.28Å; I91-L114 HydrophobicContact CD1-CD1 3.58Å; I91-L114 HydrophobicContact CD1-CD2 4.43Å; I91-L114 HydrophobicContact CG1-CD1 4.22Å; I91-L114 HydrophobicContact CG1-CD2 4.43Å; I91-L114 HydrophobicContact CG2-CD2 3.68Å; I91-F129 HydrophobicContact CD1-CZ 4.31Å |
| 92 | L | 95.7 | Very high | 94.8 | Very high | 27 Ų | 27 | 57.7 Ų | 57.7 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.6 | -31.5 | 179.8 | -72.4 | 172.7 | 0 | 0 | 0 | 112.9 | K51 Y54 K55 I88 K89 H90 | K51-L92 WeakPolarHBondContact CE-O 3.43Å; K51-L92 HydrophobicContact CG-CD2 3.97Å; K51-L92 PolarHBondContact NZ-O 3.42Å; Y54-L92 HydrophobicContact CD1-CD2 3.9Å; K55-L92 HydrophobicContact CG-CD1 3.93Å; K55-L92 HydrophobicContact CG-CD2 3.75Å; I88-L92 HydrophobicContact CG2-CD1 3.88Å; I88-L92 HydrophobicContact CG2-CG 4.28Å; I88-L92 WeakPolarHBondContact O-CB 3.47Å; I88-L92 VanDerWaalsContact O-CG 3.26Å; I88-L92 WeakPolarHBondContact O-CG 3.4Å; I88-L92 PolarHBondContact O-N 3.45Å; K89-L92 PolarHBondContact O-N 3.39Å; H90-L92 VanDerWaalsContact C-N 3.34Å; H90-L92 PolarHBondContact O-N 3.14Å |
| 93 | A | 96.4 | Very high | 94.6 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 61% | 0.612 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K89 H90 I91 | K89-A93 WeakPolarHBondContact O-CB 3.34Å; K89-A93 PolarHBondContact O-N 2.85Å; H90-A93 WeakPolarHBondContact O-CB 3.3Å; H90-A93 PolarHBondContact O-N 2.86Å; I91-A93 VanDerWaalsContact C-N 3.31Å; I91-A93 PolarHBondContact O-N 2.85Å |
| 94 | N | 94.8 | Very high | 94.3 | Very high | 55 Ų | 55 | 59.7 Ų | 59.7 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 24.5 | -177.5 | -60.6 | -51 | 0 | 0 | 0 | 113.2 | H90 I91 K96 N97 Y98 | H90-N94 PolarHBondContact CE1-ND2 3.47Å; H90-N94 PolarHBondContact NE2-ND2 3.18Å; H90-N94 PolarHBondContact O-N 3.23Å; H90-N94 VanDerWaalsContact O-N 3.09Å; H90-N94 PolarHBondContact O-ND2 2.92Å; I91-N94 CarbonylContact O-C 3.35Å; I91-N94 PolarHBondContact O-N 2.9Å; N94-K96 PolarHBondContact O-N 2.98Å; N94-N97 WeakPolarHBondContact O-CB 3.38Å; N94-N97 PolarHBondContact O-N 3.05Å; N94-Y98 HydrophobicContact CB-CE2 3.82Å; N94-Y98 VanDerWaalsContact O-CD2 3.31Å; N94-Y98 WeakPolarHBondContact O-CD2 3.31Å |
| 95 | F | 94.5 | Very high | 94.1 | Very high | 27 Ų | 27 | 66.8 Ų | 66.8 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -33.6 | -168.2 | -176.3 | -93 | 0 | 0 | 0 | 114.5 | F49 K51 Y54 I91 N97 F100 | F49-F95 HydrophobicContact CB-CE2 4.38Å; F49-F95 HydrophobicContact CB-CZ 3.81Å; F49-F95 WeakPolarHBondContact O-CE1 3.5Å; F49-F95 VanDerWaalsContact O-CZ 3.28Å; F49-F95 WeakPolarHBondContact O-CZ 3.26Å; K51-F95 HydrophobicContact CB-CD1 4.28Å; K51-F95 HydrophobicContact CB-CE1 4.35Å; K51-F95 HydrophobicContact CB-CG 4.43Å; K51-F95 HydrophobicContact CG-CG 4.4Å; Y54-F95 HydrophobicContact CD1-CD2 4.3Å; Y54-F95 AromaticContact CD1-CE2 3.98Å; Y54-F95 HydrophobicContact CD1-CE2 3.98Å; Y54-F95 HydrophobicContact CD2-CE2 4.39Å; Y54-F95 HydrophobicContact CG-CD2 4.47Å; Y54-F95 AromaticContact CG-CE2 3.71Å; Y54-F95 HydrophobicContact CG-CE2 3.71Å; I91-F95 WeakPolarHBondContact O-CA 3.35Å; I91-F95 PolarHBondContact O-N 3.23Å; F95-N97 VanDerWaalsContact C-N 3.29Å; F95-N97 PolarHBondContact O-N 2.81Å; F95-F100 AromaticContact CD2-CZ 3.7Å; F95-F100 HydrophobicContact CD2-CZ 3.7Å; F95-F100 HydrophobicContact CE1-CE2 4.26Å; F95-F100 HydrophobicContact CE1-CZ 4.33Å; F95-F100 AromaticContact CE2-CE1 3.97Å; F95-F100 HydrophobicContact CE2-CE1 3.97Å; F95-F100 AromaticContact CE2-CE2 3.92Å; F95-F100 HydrophobicContact CE2-CE2 3.92Å; F95-F100 AromaticContact CE2-CZ 3.23Å; F95-F100 HydrophobicContact CE2-CZ 3.23Å; F95-F100 HydrophobicContact CG-CZ 4.4Å; F95-F100 AromaticContact CZ-CE2 3.77Å; F95-F100 HydrophobicContact CZ-CE2 3.77Å; F95-F100 AromaticContact CZ-CZ 3.6Å; F95-F100 HydrophobicContact CZ-CZ 3.6Å |
| 96 | K | 93.9 | Very high | 93.8 | Very high | 201 Ų | 201 | 70 Ų | 70 | 87% | 0.874 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17.1 | -178.4 | -65.4 | -174.1 | 177.2 | -175.1 | 0 | 114 | N94 | N94-K96 PolarHBondContact O-N 2.98Š|
| 97 | N | 92.5 | Very high | 93.5 | Very high | 96 Ų | 96 | 68 Ų | 68 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -26.3 | -179 | -59.9 | 2.1 | 0 | 0 | 0 | 111.1 | N94 F95 | N94-N97 WeakPolarHBondContact O-CB 3.38Å; N94-N97 PolarHBondContact O-N 3.05Å; F95-N97 VanDerWaalsContact C-N 3.29Å; F95-N97 PolarHBondContact O-N 2.81Å |
| 98 | Y | 94.7 | Very high | 92.9 | Very high | 11 Ų | 11 | 69.5 Ų | 69.5 | 4% | 0.043 | 37% | 0.365 | C | S | . | . | trans | -82.7 | 134.3 | -176.8 | -65.7 | -71.9 | 0 | 0 | 0 | 111.9 | H90 I91 N94 F100 L114 L115 D116 I127 | H90-Y98 PolarHBondContact CD2-OH 2.84Å; I91-Y98 HydrophobicContact CB-CE2 4.33Å; I91-Y98 HydrophobicContact CG1-CE2 4.32Å; I91-Y98 HydrophobicContact CG2-CD2 4.13Å; I91-Y98 HydrophobicContact CG2-CE2 4.28Å; N94-Y98 HydrophobicContact CB-CE2 3.82Å; N94-Y98 VanDerWaalsContact O-CD2 3.31Å; N94-Y98 WeakPolarHBondContact O-CD2 3.31Å; Y98-F100 WeakPolarHBondContact O-CE2 3.45Å; Y98-L114 HydrophobicContact CD1-CB 3.77Å; Y98-L114 HydrophobicContact CD1-CD2 4.17Å; Y98-L114 HydrophobicContact CD2-CD2 4.48Å; Y98-L114 HydrophobicContact CE1-CB 4.34Å; Y98-L114 HydrophobicContact CG-CB 4.35Å; Y98-L114 HydrophobicContact CG-CD2 3.94Å; Y98-L115 WeakPolarHBondContact CA-O 3.5Å; Y98-D116 HydrophobicContact CD1-CB 3.71Å; Y98-D116 HydrophobicContact CE1-CB 3.65Å; Y98-I127 HydrophobicContact CE1-CD1 3.71Å | ||
| 99 | Q | 94.8 | Very high | 92.5 | Very high | 73 Ų | 73 | 75 Ų | 75 | 34% | 0.341 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 139.4 | 160 | -63.7 | -177.8 | -72.2 | 0 | 0 | 109 | E46 F101 L114 L115 | E46-Q99 PolarHBondContact OE1-NE2 3.36Å; Q99-F101 HydrophobicContact CB-CD2 4.43Å; Q99-F101 HydrophobicContact CB-CE2 3.71Å; Q99-L114 WeakPolarHBondContact O-CA 3.42Å; Q99-L115 HydrophobicContact CB-CB 4.21Å; Q99-L115 HydrophobicContact CB-CD2 4.48Å; Q99-L115 PolarHBondContact N-O 3Å; Q99-L115 PolarHBondContact O-N 3.39Å |
| 100 | F | 95.2 | Very high | 92.2 | Very high | 10 Ų | 10 | 68.7 Ų | 68.7 | 4% | 0.044 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.1 | -173.9 | -57.4 | -90 | 0 | 0 | 0 | 109.7 | E46 T47 F49 Y54 F95 Y98 V112 L114 | E46-F100 CarbonylContact C-O 3.51Å; E46-F100 WeakPolarHBondContact CA-O 3.36Å; T47-F100 HydrophobicContact CG2-CB 3.86Å; T47-F100 PolarHBondContact N-O 3.37Å; T47-F100 WeakPolarHBondContact O-CB 3.5Å; F49-F100 HydrophobicContact CD2-CB 3.97Å; F49-F100 AromaticContact CD2-CD1 3.98Å; F49-F100 HydrophobicContact CD2-CD1 3.98Å; F49-F100 HydrophobicContact CD2-CD2 4.29Å; F49-F100 AromaticContact CD2-CG 3.81Å; F49-F100 HydrophobicContact CD2-CG 3.81Å; F49-F100 HydrophobicContact CE2-CB 4.28Å; F49-F100 HydrophobicContact CE2-CG 4.48Å; Y54-F100 HydrophobicContact CD2-CD1 4.09Å; Y54-F100 AromaticContact CD2-CE1 3.69Å; Y54-F100 HydrophobicContact CD2-CE1 3.69Å; Y54-F100 AromaticContact CE2-CD1 3.88Å; Y54-F100 HydrophobicContact CE2-CD1 3.88Å; Y54-F100 AromaticContact CE2-CE1 3.56Å; Y54-F100 HydrophobicContact CE2-CE1 3.56Å; Y54-F100 HydrophobicContact CG-CE1 4.31Å; F95-F100 AromaticContact CD2-CZ 3.7Å; F95-F100 HydrophobicContact CD2-CZ 3.7Å; F95-F100 HydrophobicContact CE1-CE2 4.26Å; F95-F100 HydrophobicContact CE1-CZ 4.33Å; F95-F100 AromaticContact CE2-CE1 3.97Å; F95-F100 HydrophobicContact CE2-CE1 3.97Å; F95-F100 AromaticContact CE2-CE2 3.92Å; F95-F100 HydrophobicContact CE2-CE2 3.92Å; F95-F100 AromaticContact CE2-CZ 3.23Å; F95-F100 HydrophobicContact CE2-CZ 3.23Å; F95-F100 HydrophobicContact CG-CZ 4.4Å; F95-F100 AromaticContact CZ-CE2 3.77Å; F95-F100 HydrophobicContact CZ-CE2 3.77Å; F95-F100 AromaticContact CZ-CZ 3.6Å; F95-F100 HydrophobicContact CZ-CZ 3.6Å; Y98-F100 WeakPolarHBondContact O-CE2 3.45Å; F100-V112 HydrophobicContact CB-CG1 3.79Å; F100-V112 HydrophobicContact CD1-CG1 3.74Å; F100-V112 HydrophobicContact CG-CG1 4.25Å; F100-L114 HydrophobicContact CD1-CD2 3.8Å; F100-L114 HydrophobicContact CE1-CD2 3.46Å; F100-L114 VanDerWaalsContact CE1-CD2 3.46Å; F100-L114 HydrophobicContact CZ-CD2 4.36Å |
| 101 | F | 95 | Very high | 92.1 | Very high | 12 Ų | 12 | 65.9 Ų | 65.9 | 5% | 0.053 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 143.6 | -179.5 | -72.6 | -90.8 | 0 | 0 | 0 | 110.7 | V39 L44 Q45 E46 Q99 V112 A113 L115 M126 | V39-F101 HydrophobicContact CB-CE1 4.43Å; V39-F101 HydrophobicContact CG1-CD1 4.09Å; V39-F101 HydrophobicContact CG1-CE1 3.63Å; V39-F101 HydrophobicContact CG1-CZ 4.38Å; V39-F101 HydrophobicContact CG2-CD1 4.1Å; V39-F101 HydrophobicContact CG2-CE1 3.87Å; V39-F101 HydrophobicContact CG2-CE2 4.43Å; V39-F101 HydrophobicContact CG2-CG 4.49Å; V39-F101 HydrophobicContact CG2-CZ 4.06Å; L44-F101 HydrophobicContact CB-CB 4.18Å; L44-F101 HydrophobicContact CB-CD1 3.93Å; L44-F101 HydrophobicContact CB-CG 4.4Å; L44-F101 HydrophobicContact CD1-CB 4.44Å; Q45-F101 CarbonylContact O-C 3.59Å; Q45-F101 VanDerWaalsContact O-CA 3.31Å; Q45-F101 WeakPolarHBondContact O-CA 3.39Å; E46-F101 HydrophobicContact CB-CD1 4.1Å; E46-F101 HydrophobicContact CB-CE1 3.66Å; E46-F101 HydrophobicContact CB-CZ 4.11Å; E46-F101 HydrophobicContact CG-CE1 4.18Å; E46-F101 HydrophobicContact CG-CZ 4.13Å; Q99-F101 HydrophobicContact CB-CD2 4.43Å; Q99-F101 HydrophobicContact CB-CE2 3.71Å; F101-V112 CarbonylContact O-C 3.5Å; F101-V112 WeakPolarHBondContact O-CA 3.44Å; F101-A113 HydrophobicContact CB-CB 4.3Å; F101-A113 PolarHBondContact N-O 3.27Å; F101-A113 PolarHBondContact O-N 3.09Å; F101-L115 HydrophobicContact CD2-CB 3.95Å; F101-L115 HydrophobicContact CE2-CB 3.71Å; F101-L115 HydrophobicContact CE2-CD2 3.64Å; F101-L115 HydrophobicContact CE2-CG 4.33Å; F101-L115 HydrophobicContact CZ-CD2 4.12Å; F101-M126 HydrophobicContact CB-CE 3.93Å; F101-M126 HydrophobicContact CD2-CE 3.89Å; F101-M126 HydrophobicContact CG-CE 4.05Å |
| 102 | V | 94.2 | Very high | 92.2 | Very high | 14 Ų | 14 | 66.1 Ų | 66.1 | 9% | 0.085 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 160.6 | 169.7 | -65 | 0 | 0 | 0 | 0 | 109.5 | L44 Q45 T47 M106 V112 | L44-V102 CarbonylContact C-O 2.85Å; L44-V102 WeakPolarHBondContact CA-O 3.39Å; Q45-V102 HydrophobicContact CB-CG2 3.93Å; Q45-V102 PolarHBondContact N-O 3.4Å; Q45-V102 PolarHBondContact O-N 3.15Å; T47-V102 HydrophobicContact CG2-CG1 3.97Å; V102-M106 HydrophobicContact CG2-CB 4.21Å; V102-M106 HydrophobicContact CG2-CG 4.13Å; V102-V112 HydrophobicContact CG1-CG2 3.92Å |
| 103 | G | 90.9 | Very high | 92.2 | Very high | 36 Ų | 36 | 65 Ų | 65 | 37% | 0.371 | 36% | 0.356 | S | S | . | . | trans | -61.9 | 165 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N105 M106 | G103-N105 PolarHBondContact O-N 3.24Å; G103-N105 VanDerWaalsContact O-N 3.09Å; G103-M106 WeakPolarHBondContact O-CA 3.25Å; G103-M106 PolarHBondContact O-N 2.9Å | ||
| 104 | E | 90.1 | Very high | 92.1 | Very high | 121 Ų | 121 | 61.5 Ų | 61.5 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -39.1 | -179.2 | -172.6 | -179.4 | 177.4 | 0 | 0 | 113.6 | H43 M106 | H43-E104 HydrophobicContact CB-CB 4.17Å; H43-E104 HydrophobicContact CB-CG 3.98Å; E104-M106 PolarHBondContact O-N 3.34Å; E104-M106 VanDerWaalsContact O-N 3.16Å |
| 105 | N | 89.5 | Confident | 92.1 | Very high | 152 Ų | 152 | 59 Ų | 59 | 81% | 0.813 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -2.4 | 178.9 | -65.1 | -37.8 | 0 | 0 | 0 | 114.5 | G103 N107 | G103-N105 PolarHBondContact O-N 3.24Å; G103-N105 VanDerWaalsContact O-N 3.09Å; N105-N107 PolarHBondContact O-N 3.4Å |
| 106 | M | 87.9 | Confident | 92.1 | Very high | 108 Ų | 108 | 58.9 Ų | 58.9 | 53% | 0.532 | 31% | 0.314 | S | S | . | . | trans | 49 | 33 | 179.5 | -57.2 | -176.5 | 77.1 | 0 | 0 | 114.5 | Q45 V102 G103 E104 P108 | Q45-M106 HydrophobicContact CB-CE 4.38Å; Q45-M106 HydrophobicContact CB-CG 4.08Å; Q45-M106 HydrophobicContact CB-SD 4.45Å; Q45-M106 HydrophobicContact CG-CG 3.8Å; Q45-M106 HydrophobicContact CG-SD 4.25Å; V102-M106 HydrophobicContact CG2-CB 4.21Å; V102-M106 HydrophobicContact CG2-CG 4.13Å; G103-M106 WeakPolarHBondContact O-CA 3.25Å; G103-M106 PolarHBondContact O-N 2.9Å; E104-M106 PolarHBondContact O-N 3.34Å; E104-M106 VanDerWaalsContact O-N 3.16Å; M106-P108 VanDerWaalsContact O-CD 3.25Å; M106-P108 WeakPolarHBondContact O-CD 3.43Å; M106-P108 VanDerWaalsContact O-N 3.11Å | ||
| 107 | N | 88.1 | Confident | 91.9 | Very high | 85 Ų | 85 | 52.1 Ų | 52.1 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | trans | -62.2 | 114.5 | -178.4 | 179.9 | -1.6 | 0 | 0 | 0 | 110.3 | N105 D109 G110 | N105-N107 PolarHBondContact O-N 3.4Å; N107-D109 PolarHBondContact O-N 2.81Å; N107-D109 PolarHBondContact OD1-N 3.16Å; N107-G110 PolarHBondContact O-N 2.99Å; N107-G110 PolarHBondContact OD1-N 2.91Å | ||
| 108 | P | 82.3 | Confident | 91.8 | Very high | 98 Ų | 98 | 55 Ų | 55 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -21.6 | -177.4 | 29.5 | -36.3 | 0 | 0 | 0 | 113.2 | Y57 M106 G110 | Y57-P108 WeakPolarHBondContact CE2-O 3.27Å; M106-P108 VanDerWaalsContact O-CD 3.25Å; M106-P108 WeakPolarHBondContact O-CD 3.43Å; M106-P108 VanDerWaalsContact O-N 3.11Å; P108-G110 VanDerWaalsContact C-N 3.34Å |
| 109 | D | 86.3 | Confident | 91.6 | Very high | 131 Ų | 131 | 64.7 Ų | 64.7 | 70% | 0.701 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -8.5 | 175.4 | -57.9 | -44.6 | 0 | 0 | 0 | 112.2 | N107 | N107-D109 PolarHBondContact O-N 2.81Å; N107-D109 PolarHBondContact OD1-N 3.16Å |
| 110 | G | 89.3 | Confident | 91.4 | Very high | 20 Ų | 20 | 65.3 Ų | 65.3 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -73.8 | 178.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y57 N107 P108 | Y57-G110 WeakPolarHBondContact CE2-O 3.48Å; Y57-G110 PolarHBondContact OH-O 2.98Å; N107-G110 PolarHBondContact O-N 2.99Å; N107-G110 PolarHBondContact OD1-N 2.91Å; P108-G110 VanDerWaalsContact C-N 3.34Å |
| 111 | M | 94.1 | Very high | 91 | Very high | 33 Ų | 33 | 67.2 Ų | 67.2 | 16% | 0.163 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 133.2 | 175.6 | -169.7 | -172.1 | -54.7 | 0 | 0 | 111 | Y57 Y61 F128 F129 G132 L133 | Y57-M111 WeakPolarHBondContact OH-CA 3.34Å; Y61-M111 HydrophobicContact CE2-CB 3.93Å; Y61-M111 HydrophobicContact CE2-CG 4.37Å; Y61-M111 WeakPolarHBondContact OH-CE 3.5Å; M111-F128 HydrophobicContact SD-CB 3.84Å; M111-F128 HydrophobicContact SD-CD1 3.82Å; M111-F128 HydrophobicContact SD-CG 4.33Å; M111-F129 HydrophobicContact CE-CB 4.07Å; M111-F129 WeakPolarHBondContact CE-O 3.43Å; M111-F129 HydrophobicContact SD-CB 4.29Å; M111-F129 PolarHBondContact SD-N 3.44Å; M111-G132 VanDerWaalsContact CE-C 3.47Å; M111-G132 WeakPolarHBondContact CE-O 3.38Å; M111-L133 HydrophobicContact CE-CD2 3.61Å; M111-L133 HydrophobicContact CE-CG 3.81Å; M111-L133 HydrophobicContact SD-CD2 4.26Å |
| 112 | V | 95.7 | Very high | 90.6 | Very high | 5 Ų | 5 | 71.4 Ų | 71.4 | 3% | 0.03 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -89.8 | 119.2 | 165.7 | 173.1 | 0 | 0 | 0 | 0 | 108.2 | F49 Y57 F100 F101 V102 | F49-V112 HydrophobicContact CE2-CG1 4.1Å; F49-V112 HydrophobicContact CE2-CG2 3.78Å; F49-V112 HydrophobicContact CZ-CG2 3.89Å; Y57-V112 HydrophobicContact CD1-CG2 4.26Å; Y57-V112 HydrophobicContact CE1-CB 3.76Å; Y57-V112 HydrophobicContact CE1-CG2 3.53Å; Y57-V112 HydrophobicContact CE2-CG2 3.92Å; Y57-V112 WeakPolarHBondContact OH-CG2 3.31Å; Y57-V112 PolarHBondContact OH-N 3.43Å; F100-V112 HydrophobicContact CB-CG1 3.79Å; F100-V112 HydrophobicContact CD1-CG1 3.74Å; F100-V112 HydrophobicContact CG-CG1 4.25Å; F101-V112 CarbonylContact O-C 3.5Å; F101-V112 WeakPolarHBondContact O-CA 3.44Å; V102-V112 HydrophobicContact CG1-CG2 3.92Å |
| 113 | A | 95.1 | Very high | 90.4 | Very high | 4 Ų | 4 | 73.1 Ų | 73.1 | 3% | 0.033 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 139.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | F101 M126 F128 | F101-A113 HydrophobicContact CB-CB 4.3Å; F101-A113 PolarHBondContact N-O 3.27Å; F101-A113 PolarHBondContact O-N 3.09Å; A113-M126 HydrophobicContact CB-CE 3.52Å; A113-F128 HydrophobicContact CB-CD1 3.84Å; A113-F128 HydrophobicContact CB-CE1 3.27Å; A113-F128 HydrophobicContact CB-CZ 3.68Å |
| 114 | L | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.8 | -178.6 | -56.4 | 124.1 | 0 | 0 | 0 | 109.4 | I91 Y98 Q99 F100 M126 I127 | I91-L114 HydrophobicContact CD1-CD1 3.58Å; I91-L114 HydrophobicContact CD1-CD2 4.43Å; I91-L114 HydrophobicContact CG1-CD1 4.22Å; I91-L114 HydrophobicContact CG1-CD2 4.43Å; I91-L114 HydrophobicContact CG2-CD2 3.68Å; Y98-L114 HydrophobicContact CD1-CB 3.77Å; Y98-L114 HydrophobicContact CD1-CD2 4.17Å; Y98-L114 HydrophobicContact CD2-CD2 4.48Å; Y98-L114 HydrophobicContact CE1-CB 4.34Å; Y98-L114 HydrophobicContact CG-CB 4.35Å; Y98-L114 HydrophobicContact CG-CD2 3.94Å; Q99-L114 WeakPolarHBondContact O-CA 3.42Å; F100-L114 HydrophobicContact CD1-CD2 3.8Å; F100-L114 HydrophobicContact CE1-CD2 3.46Å; F100-L114 VanDerWaalsContact CE1-CD2 3.46Å; F100-L114 HydrophobicContact CZ-CD2 4.36Å; L114-M126 CarbonylContact O-C 3.5Å; L114-M126 VanDerWaalsContact O-CA 3.22Å; L114-M126 WeakPolarHBondContact O-CA 3.48Å; L114-I127 HydrophobicContact CB-CB 4.24Å; L114-I127 HydrophobicContact CD1-CB 4.18Å; L114-I127 HydrophobicContact CD1-CG2 4.41Å; L114-I127 PolarHBondContact N-O 3.2Å; L114-I127 PolarHBondContact O-N 3.21Å |
| 115 | L | 94.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 131.8 | 172.2 | 175.5 | 69.5 | 0 | 0 | 0 | 109.4 | V36 Y98 Q99 F101 P124 M126 | V36-L115 HydrophobicContact CG1-CD1 4.33Å; V36-L115 HydrophobicContact CG2-CD1 4.04Å; V36-L115 HydrophobicContact CG2-CD2 3.8Å; Y98-L115 WeakPolarHBondContact CA-O 3.5Å; Q99-L115 HydrophobicContact CB-CB 4.21Å; Q99-L115 HydrophobicContact CB-CD2 4.48Å; Q99-L115 PolarHBondContact N-O 3Å; Q99-L115 PolarHBondContact O-N 3.39Å; F101-L115 HydrophobicContact CD2-CB 3.95Å; F101-L115 HydrophobicContact CE2-CB 3.71Å; F101-L115 HydrophobicContact CE2-CD2 3.64Å; F101-L115 HydrophobicContact CE2-CG 4.33Å; F101-L115 HydrophobicContact CZ-CD2 4.12Å; L115-P124 HydrophobicContact CD1-CB 3.72Å; L115-M126 HydrophobicContact CB-CE 4.29Å; L115-M126 HydrophobicContact CB-CG 4.34Å; L115-M126 HydrophobicContact CD1-CG 3.86Å |
| 116 | D | 93.4 | Very high | 90.7 | Very high | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.134 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 172.3 | 169.3 | -174.4 | 25.3 | 0 | 0 | 0 | 109.1 | Y98 Y125 | Y98-D116 HydrophobicContact CD1-CB 3.71Å; Y98-D116 HydrophobicContact CE1-CB 3.65Å; D116-Y125 HydrophobicContact CB-CE1 3.78Å; D116-Y125 HydrophobicContact CB-CE2 4.39Å; D116-Y125 PolarHBondContact N-O 2.92Å; D116-Y125 VanDerWaalsContact N-O 3.07Å; D116-Y125 VanDerWaalsContact O-CD1 3.24Å; D116-Y125 WeakPolarHBondContact O-CD1 3.47Å; D116-Y125 PolarHBondContact O-N 2.92Å; D116-Y125 PolarHBondContact OD2-OH 3.17Å |
| 117 | F | 90.8 | Very high | 90.9 | Very high | 59 Ų | 59 | 61.2 Ų | 61.2 | 26% | 0.259 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.7 | -180 | -65.7 | -93.6 | 0 | 0 | 0 | 110.1 | M1 T123 P124 | M1-F117 HydrophobicContact CE-CE1 4.39Å; M1-F117 HydrophobicContact CE-CZ 4.46Å; F117-T123 WeakPolarHBondContact CA-O 3.27Å; F117-P124 HydrophobicContact CD1-CB 4.31Å; F117-P124 HydrophobicContact CE1-CB 4.03Å |
| 118 | R | 89.9 | Confident | 91.2 | Very high | 157 Ų | 157 | 61.1 Ų | 61.1 | 59% | 0.592 | 33% | 0.325 | S | S | * | . | trans | -63 | 175.1 | 174.6 | -64.7 | -170.3 | -179.8 | -179.7 | 0.2 | 110.6 | D120 G121 T123 Y125 | R118-D120 PolarHBondContact O-N 3.41Å; R118-G121 WeakPolarHBondContact O-CA 3.48Å; R118-G121 PolarHBondContact O-N 3.25Å; R118-T123 HydrophobicContact CG-CG2 4.18Å; R118-T123 PolarHBondContact N-O 3.24Å; R118-Y125 HydrophobicContact CG-CD1 3.87Å; R118-Y125 HydrophobicContact CG-CE1 4.38Å | ||
| 119 | E | 89.9 | Confident | 91.8 | Very high | 214 Ų | 214 | 57.4 Ų | 57.4 | 100% | 1 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -21.3 | 178.2 | -62.9 | 177.8 | 98.2 | 0 | 0 | 113.6 | G121 | E119-G121 PolarHBondContact O-N 3.49Š|
| 120 | D | 90.6 | Very high | 92.1 | Very high | 86 Ų | 86 | 58.7 Ų | 58.7 | 46% | 0.46 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -10.5 | 173.1 | 65 | 15.8 | 0 | 0 | 0 | 114.1 | R118 V122 T123 | R118-D120 PolarHBondContact O-N 3.41Å; D120-V122 HydrophobicContact CB-CG2 4.01Å; D120-V122 PolarHBondContact O-N 3.42Å; D120-V122 VanDerWaalsContact O-N 3.16Å; D120-V122 PolarHBondContact OD1-N 3.06Å; D120-T123 WeakPolarHBondContact OD1-CB 3.43Å; D120-T123 PolarHBondContact OD1-N 2.89Å; D120-T123 VanDerWaalsContact OD2-CB 3.26Å; D120-T123 WeakPolarHBondContact OD2-CB 3.18Å; D120-T123 PolarHBondContact OD2-OG1 3.09Å |
| 121 | G | 87.2 | Confident | 92.2 | Very high | 50 Ų | 50 | 59.2 Ų | 59.2 | 52% | 0.515 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 68.9 | 2.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | R118 E119 | R118-G121 WeakPolarHBondContact O-CA 3.48Å; R118-G121 PolarHBondContact O-N 3.25Å; E119-G121 PolarHBondContact O-N 3.49Å |
| 122 | V | 86.4 | Confident | 92 | Very high | 100 Ų | 100 | 58.3 Ų | 58.3 | 61% | 0.606 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -127 | -25.1 | -171.1 | -64.7 | 0 | 0 | 0 | 0 | 113.6 | D120 P124 | D120-V122 HydrophobicContact CB-CG2 4.01Å; D120-V122 PolarHBondContact O-N 3.42Å; D120-V122 VanDerWaalsContact O-N 3.16Å; D120-V122 PolarHBondContact OD1-N 3.06Å; V122-P124 WeakPolarHBondContact O-CD 3.28Å |
| 123 | T | 90.1 | Very high | 91.8 | Very high | 50 Ų | 50 | 62.4 Ų | 62.4 | 31% | 0.307 | 32% | 0.317 | S | S | . | . | trans | -88.8 | 105.9 | -179.5 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | F117 R118 D120 | F117-T123 WeakPolarHBondContact CA-O 3.27Å; R118-T123 HydrophobicContact CG-CG2 4.18Å; R118-T123 PolarHBondContact N-O 3.24Å; D120-T123 WeakPolarHBondContact OD1-CB 3.43Å; D120-T123 PolarHBondContact OD1-N 2.89Å; D120-T123 VanDerWaalsContact OD2-CB 3.26Å; D120-T123 WeakPolarHBondContact OD2-CB 3.18Å; D120-T123 PolarHBondContact OD2-OG1 3.09Å | ||
| 124 | P | 91.6 | Very high | 91.5 | Very high | 36 Ų | 36 | 69.4 Ų | 69.4 | 23% | 0.234 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 144.6 | 177.4 | 30.1 | -35 | 0 | 0 | 0 | 110.7 | V36 L115 F117 V122 | V36-P124 HydrophobicContact CG1-CB 3.99Å; V36-P124 HydrophobicContact CG1-CG 3.99Å; V36-P124 HydrophobicContact CG2-CB 3.74Å; V36-P124 HydrophobicContact CG2-CG 4.03Å; L115-P124 HydrophobicContact CD1-CB 3.72Å; F117-P124 HydrophobicContact CD1-CB 4.31Å; F117-P124 HydrophobicContact CE1-CB 4.03Å; V122-P124 WeakPolarHBondContact O-CD 3.28Å |
| 125 | Y | 91.7 | Very high | 91.2 | Very high | 73 Ų | 73 | 76.6 Ų | 76.6 | 29% | 0.286 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 148.5 | 168 | 70.9 | -83.2 | 0 | 0 | 0 | 110.1 | D116 R118 I127 | D116-Y125 HydrophobicContact CB-CE1 3.78Å; D116-Y125 HydrophobicContact CB-CE2 4.39Å; D116-Y125 PolarHBondContact N-O 2.92Å; D116-Y125 VanDerWaalsContact N-O 3.07Å; D116-Y125 VanDerWaalsContact O-CD1 3.24Å; D116-Y125 WeakPolarHBondContact O-CD1 3.47Å; D116-Y125 PolarHBondContact O-N 2.92Å; D116-Y125 PolarHBondContact OD2-OH 3.17Å; R118-Y125 HydrophobicContact CG-CD1 3.87Å; R118-Y125 HydrophobicContact CG-CE1 4.38Å; Y125-I127 HydrophobicContact CD2-CG1 4.12Å; Y125-I127 HydrophobicContact CE2-CD1 3.96Å; Y125-I127 HydrophobicContact CE2-CG1 3.78Å |
| 126 | M | 93.1 | Very high | 90.8 | Very high | 29 Ų | 29 | 84.5 Ų | 84.5 | 14% | 0.143 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 140.1 | 177.8 | -64.9 | -165.5 | 85.5 | 0 | 0 | 111.2 | I38 V39 L44 F101 A113 L114 L115 F128 | I38-M126 HydrophobicContact CB-SD 4.33Å; I38-M126 HydrophobicContact CG2-SD 3.53Å; I38-M126 VanDerWaalsContact CG2-SD 3.53Å; V39-M126 HydrophobicContact CG2-CE 4.47Å; V39-M126 HydrophobicContact CG2-SD 4.17Å; L44-M126 HydrophobicContact CD1-CE 3.72Å; L44-M126 HydrophobicContact CD1-SD 3.76Å; F101-M126 HydrophobicContact CB-CE 3.93Å; F101-M126 HydrophobicContact CD2-CE 3.89Å; F101-M126 HydrophobicContact CG-CE 4.05Å; A113-M126 HydrophobicContact CB-CE 3.52Å; L114-M126 CarbonylContact O-C 3.5Å; L114-M126 VanDerWaalsContact O-CA 3.22Å; L114-M126 WeakPolarHBondContact O-CA 3.48Å; L115-M126 HydrophobicContact CB-CE 4.29Å; L115-M126 HydrophobicContact CB-CG 4.34Å; L115-M126 HydrophobicContact CD1-CG 3.86Å; M126-F128 HydrophobicContact CB-CD2 4.22Å; M126-F128 HydrophobicContact CB-CE2 3.49Å; M126-F128 VanDerWaalsContact CB-CE2 3.49Å; M126-F128 HydrophobicContact CB-CZ 4.12Å; M126-F128 HydrophobicContact CE-CZ 4.38Å; M126-F128 HydrophobicContact SD-CE2 4.42Å; M126-F128 HydrophobicContact SD-CZ 4.18Å |
| 127 | I | 93.9 | Very high | 90.3 | Very high | 28 Ų | 28 | 92.7 Ų | 92.7 | 14% | 0.144 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.1 | 176.6 | -50.9 | 175.9 | 0 | 0 | 0 | 108.6 | Y98 L114 Y125 | Y98-I127 HydrophobicContact CE1-CD1 3.71Å; L114-I127 HydrophobicContact CB-CB 4.24Å; L114-I127 HydrophobicContact CD1-CB 4.18Å; L114-I127 HydrophobicContact CD1-CG2 4.41Å; L114-I127 PolarHBondContact N-O 3.2Å; L114-I127 PolarHBondContact O-N 3.21Å; Y125-I127 HydrophobicContact CD2-CG1 4.12Å; Y125-I127 HydrophobicContact CE2-CD1 3.96Å; Y125-I127 HydrophobicContact CE2-CG1 3.78Å |
| 128 | F | 94.2 | Very high | 89 | Confident | 83 Ų | 83 | 98.6 Ų | 98.6 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | trans | -128.1 | 146.1 | 173.3 | -61.9 | -92.3 | 0 | 0 | 0 | 110.2 | M111 A113 M126 K130 L133 | M111-F128 HydrophobicContact SD-CB 3.84Å; M111-F128 HydrophobicContact SD-CD1 3.82Å; M111-F128 HydrophobicContact SD-CG 4.33Å; A113-F128 HydrophobicContact CB-CD1 3.84Å; A113-F128 HydrophobicContact CB-CE1 3.27Å; A113-F128 HydrophobicContact CB-CZ 3.68Å; M126-F128 HydrophobicContact CB-CD2 4.22Å; M126-F128 HydrophobicContact CB-CE2 3.49Å; M126-F128 VanDerWaalsContact CB-CE2 3.49Å; M126-F128 HydrophobicContact CB-CZ 4.12Å; M126-F128 HydrophobicContact CE-CZ 4.38Å; M126-F128 HydrophobicContact SD-CE2 4.42Å; M126-F128 HydrophobicContact SD-CZ 4.18Å; F128-K130 PolarHBondContact O-N 2.98Å; F128-L133 HydrophobicContact CB-CD1 3.85Å; F128-L133 HydrophobicContact CG-CD1 4.42Å | ||
| 129 | F | 93.4 | Very high | 89 | Confident | 20 Ų | 20 | 95.7 Ų | 95.7 | 9% | 0.088 | 50% | 0.499 | C | S | . | . | trans | -81.3 | 108.5 | 173.3 | -70.1 | -75.2 | 0 | 0 | 0 | 110.1 | I58 Y61 F80 A84 Q87 I88 I91 M111 D131 G132 L133 | I58-F129 HydrophobicContact CD1-CE2 3.84Å; I58-F129 HydrophobicContact CD1-CZ 4.22Å; Y61-F129 HydrophobicContact CE1-CB 4.39Å; Y61-F129 AromaticContact CE1-CD2 3.85Å; Y61-F129 HydrophobicContact CE1-CD2 3.85Å; Y61-F129 HydrophobicContact CE1-CG 4.31Å; F80-F129 HydrophobicContact CE2-CB 4.37Å; F80-F129 HydrophobicContact CE2-CD1 4.23Å; A84-F129 HydrophobicContact CB-CE1 4.2Å; Q87-F129 HydrophobicContact CB-CE1 4.48Å; Q87-F129 HydrophobicContact CG-CE1 4.43Å; I88-F129 HydrophobicContact CG1-CZ 4.3Å; I91-F129 HydrophobicContact CD1-CZ 4.31Å; M111-F129 HydrophobicContact CE-CB 4.07Å; M111-F129 WeakPolarHBondContact CE-O 3.43Å; M111-F129 HydrophobicContact SD-CB 4.29Å; M111-F129 PolarHBondContact SD-N 3.44Å; F129-D131 VanDerWaalsContact C-N 3.31Å; F129-D131 PolarHBondContact O-N 3.12Å; F129-G132 WeakPolarHBondContact O-CA 3.11Å; F129-G132 PolarHBondContact O-N 2.8Å; F129-L133 PolarHBondContact O-N 2.88Å | ||
| 130 | K | 92.6 | Very high | 89 | Confident | 158 Ų | 158 | 89.4 Ų | 89.4 | 69% | 0.687 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -51.3 | -45.6 | -177.5 | 180 | 178.2 | 178 | 177.4 | 0 | 113.9 | F128 G132 L133 | F128-K130 PolarHBondContact O-N 2.98Å; K130-G132 PolarHBondContact O-N 3.22Å; K130-L133 PolarHBondContact O-N 3.07Å |
| 131 | D | 93.1 | Very high | 88.9 | Confident | 31 Ų | 31 | 89.6 Ų | 89.6 | 17% | 0.166 | 47% | 0.474 | C | S | . | . | G | 310 helix | trans | -71.9 | -6.1 | -178.3 | -64.6 | -73.3 | 0 | 0 | 0 | 113 | I65 L69 R76 F80 F129 | I65-D131 HydrophobicContact CG2-CB 4.38Å; L69-D131 HydrophobicContact CD1-CB 4.07Å; L69-D131 HydrophobicContact CD2-CB 4.27Å; R76-D131 IonicContact CZ-OD1 3.66Å; R76-D131 IonicContact CZ-OD2 2.68Å; R76-D131 IonicContact NE-OD1 2.94Å; R76-D131 PolarHBondContact NE-OD1 3.39Å; R76-D131 IonicContact NH2-OD1 3.98Å; R76-D131 PolarHBondContact NH2-OD1 2.87Å; R76-D131 VanDerWaalsContact NH2-OD1 3.1Å; R76-D131 IonicContact NH2-OD2 2.8Å; R76-D131 PolarHBondContact NH2-OD2 2.82Å; F80-D131 HydrophobicContact CB-CB 4.38Å; F80-D131 HydrophobicContact CD2-CB 3.63Å; F80-D131 HydrophobicContact CE2-CB 4.13Å; F80-D131 HydrophobicContact CG-CB 4.04Å; F129-D131 VanDerWaalsContact C-N 3.31Å; F129-D131 PolarHBondContact O-N 3.12Å |
| 132 | G | 89.8 | Confident | 89 | Confident | 15 Ų | 15 | 91.9 Ų | 91.9 | 16% | 0.155 | 47% | 0.471 | C | S | . | . | G | 310 helix | trans | -100.8 | 4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | M111 F129 K130 | M111-G132 VanDerWaalsContact CE-C 3.47Å; M111-G132 WeakPolarHBondContact CE-O 3.38Å; F129-G132 WeakPolarHBondContact O-CA 3.11Å; F129-G132 PolarHBondContact O-N 2.8Å; K130-G132 PolarHBondContact O-N 3.22Å |
| 133 | L | 91.6 | Very high | 89.1 | Confident | 90 Ų | 90 | 91.4 Ų | 91.4 | 47% | 0.471 | 46% | 0.463 | S | S | . | . | trans | -109 | 151 | 174 | -62.6 | 179.3 | 0 | 0 | 0 | 111 | M111 F128 F129 K130 | M111-L133 HydrophobicContact CE-CD2 3.61Å; M111-L133 HydrophobicContact CE-CG 3.81Å; M111-L133 HydrophobicContact SD-CD2 4.26Å; F128-L133 HydrophobicContact CB-CD1 3.85Å; F128-L133 HydrophobicContact CG-CD1 4.42Å; F129-L133 PolarHBondContact O-N 2.88Å; K130-L133 PolarHBondContact O-N 3.07Å | ||
| 134 | E | 88.5 | Confident | 89.1 | Confident | 151 Ų | 151 | 94.2 Ų | 94.2 | 71% | 0.706 | 47% | 0.473 | S | S | * | . | trans | -111.6 | 138.7 | 166.5 | -70.6 | -176.8 | 131 | 0 | 0 | 109.7 | R68 | R68-E134 IonicContact CZ-OE1 3.86Å; R68-E134 IonicContact CZ-OE2 3.1Å; R68-E134 IonicContact NH1-OE2 2.87Å; R68-E134 IonicContact NH2-OE1 3.81Å; R68-E134 PolarHBondContact NH2-OE1 3.47Å; R68-E134 IonicContact NH2-OE2 3.47Å; R68-E134 PolarHBondContact NH2-OE2 2.72Å | ||
| 135 | I | 88.3 | Confident | 88.9 | Confident | 152 Ų | 152 | 98.4 Ų | 98.4 | 78% | 0.779 | 49% | 0.49 | S | S | * | . | trans | -96.1 | 114.7 | 178.5 | -59.3 | 173.3 | 0 | 0 | 0 | 106.9 | ||||
| 136 | E | 86 | Confident | 88.7 | Confident | 167 Ų | 167 | 100.3 Ų | 100.3 | 78% | 0.78 | 51% | 0.506 | S | S | * | . | trans | -95.8 | 133.3 | 169.1 | -167.9 | 166.1 | 88.9 | 0 | 0 | 109.1 | ||||
| 137 | K | 84.8 | Confident | 88.3 | Confident | 197 Ų | 197 | 106.3 Ų | 106.3 | 86% | 0.857 | 54% | 0.536 | S | S | * | . | trans | -104.1 | 117.4 | 170.7 | -68.7 | -174.9 | -178.8 | -178.4 | 0 | 107.3 | ||||
| 138 | C | 63.5 | Low | 87.8 | Confident | 183 Ų | 183 | 113.4 Ų | 113.4 | 100% | 1.236 | 57% | 0.572 | S | S | * | * | trans | -91 | 0 | 172.1 | -55.8 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 138 of 138 residues in 36.7 ms
(Link to these results)