| 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 | 35.6 | Very low | 32.2 | Very low | 240 Ų | 240 | 125.5 Ų | 125.5 | 100% | 1.182 | 70% | 0.696 | S | S | * | * | 0 | 107.5 | 0 | -72.3 | -176.9 | -179.9 | 0 | 0 | 106.4 | |||||
| 2 | D | 26.4 | Very low | 32.1 | Very low | 139 Ų | 139 | 125.2 Ų | 125.2 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | trans | -78.2 | 134.8 | -169.2 | -69.4 | -112 | 0 | 0 | 0 | 112.3 | ||||
| 3 | L | 30.5 | Very low | 31.7 | Very low | 175 Ų | 175 | 123.5 Ų | 123.5 | 92% | 0.916 | 69% | 0.686 | S | S | * | * | trans | -140.7 | 55.4 | 144.3 | -88.7 | 119.2 | 0 | 0 | 0 | 108.4 | ||||
| 4 | Y | 28.3 | Very low | 31.4 | Very low | 207 Ų | 207 | 122 Ų | 122 | 81% | 0.812 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 125.3 | 156.7 | -132.6 | -86.7 | 0 | 0 | 0 | 106.7 | ||
| 5 | P | 35.8 | Very low | 31.5 | Very low | 72 Ų | 72 | 124.3 Ų | 124.3 | 47% | 0.468 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -60.6 | 133.4 | 175.6 | 25.7 | -32.9 | 0 | 0 | 0 | 108.1 | A7 W9 | P5-A7 PolarHBondContact O-N 3.39Å; P5-W9 HydrophobicContact CB-CD2 4.41Å; P5-W9 HydrophobicContact CB-CE3 3.65Å; P5-W9 HydrophobicContact CB-CZ3 4.18Å |
| 6 | P | 29.6 | Very low | 31.2 | Very low | 72 Ų | 72 | 122.2 Ų | 122.2 | 47% | 0.468 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 139.1 | -178.9 | 25.5 | -34.2 | 0 | 0 | 0 | 109.1 | S8 W9 | P6-S8 PolarHBondContact O-N 2.87Å; P6-W9 PolarHBondContact O-N 3.4Å |
| 7 | A | 36.8 | Very low | 31.2 | Very low | 88 Ų | 88 | 124.9 Ų | 124.9 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -58 | -16.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P5 W9 A10 | P5-A7 PolarHBondContact O-N 3.39Å; A7-W9 PolarHBondContact O-N 3.47Å; A7-A10 PolarHBondContact O-N 3.39Å |
| 8 | S | 37.4 | Very low | 31.1 | Very low | 74 Ų | 74 | 123.1 Ų | 123.1 | 52% | 0.517 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -57.3 | -25.6 | 168.5 | 52.5 | 0 | 0 | 0 | 0 | 114.4 | P6 A11 | P6-S8 PolarHBondContact O-N 2.87Å; S8-A11 PolarHBondContact O-N 3.27Å |
| 9 | W | 31.4 | Very low | 31.1 | Very low | 172 Ų | 172 | 121 Ų | 121 | 65% | 0.652 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -73.9 | -29.9 | 176 | -75 | 6.9 | 0 | 0 | 0 | 113.1 | P5 P6 A7 A11 L12 | P5-W9 HydrophobicContact CB-CD2 4.41Å; P5-W9 HydrophobicContact CB-CE3 3.65Å; P5-W9 HydrophobicContact CB-CZ3 4.18Å; P6-W9 PolarHBondContact O-N 3.4Å; A7-W9 PolarHBondContact O-N 3.47Å; W9-A11 VanDerWaalsContact C-N 3.26Å; W9-A11 PolarHBondContact O-N 2.87Å; W9-L12 PolarHBondContact O-N 3.1Å |
| 10 | A | 30 | Very low | 31.1 | Very low | 74 Ų | 74 | 121.3 Ų | 121.3 | 61% | 0.612 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -66.8 | -29.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A7 L12 | A7-A10 PolarHBondContact O-N 3.39Å; A10-L12 VanDerWaalsContact C-N 3.29Å; A10-L12 PolarHBondContact O-N 3.2Å |
| 11 | A | 32.7 | Very low | 31.2 | Very low | 68 Ų | 68 | 119 Ų | 119 | 56% | 0.562 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -72.8 | -15.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S8 W9 P14 | S8-A11 PolarHBondContact O-N 3.27Å; W9-A11 VanDerWaalsContact C-N 3.26Å; W9-A11 PolarHBondContact O-N 2.87Å; A11-P14 WeakPolarHBondContact O-CD 3.48Å |
| 12 | L | 30.7 | Very low | 30.8 | Very low | 121 Ų | 121 | 114.6 Ų | 114.6 | 63% | 0.634 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -87.3 | -13.4 | -178.6 | -71.2 | 167.2 | 0 | 0 | 0 | 113.7 | W9 A10 P14 | W9-L12 PolarHBondContact O-N 3.1Å; A10-L12 VanDerWaalsContact C-N 3.29Å; A10-L12 PolarHBondContact O-N 3.2Å; L12-P14 VanDerWaalsContact C-CD 3.5Å |
| 13 | V | 26.9 | Very low | 31.1 | Very low | 104 Ų | 104 | 112.5 Ų | 112.5 | 63% | 0.63 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -65.1 | -38.4 | -173.8 | -175.2 | 0 | 0 | 0 | 0 | 115.5 | F15 | V13-F15 PolarHBondContact O-N 3.33Å; V13-F15 VanDerWaalsContact O-N 3.1Å |
| 14 | P | 28.2 | Very low | 30.9 | Very low | 102 Ų | 102 | 107 Ų | 107 | 66% | 0.662 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -76.2 | 2 | -172.8 | 30.7 | -34.8 | 0 | 0 | 0 | 114.7 | A11 L12 | A11-P14 WeakPolarHBondContact O-CD 3.48Å; L12-P14 VanDerWaalsContact C-CD 3.5Å |
| 15 | F | 31.6 | Very low | 31 | Very low | 157 Ų | 157 | 99.1 Ų | 99.1 | 69% | 0.689 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -99.9 | 4.8 | -173.5 | -75.7 | -80.8 | 0 | 0 | 0 | 115.4 | V13 K17 | V13-F15 PolarHBondContact O-N 3.33Å; V13-F15 VanDerWaalsContact O-N 3.1Å; F15-K17 PolarHBondContact O-N 3.12Å |
| 16 | C | 27.1 | Very low | 30.7 | Very low | 90 Ų | 90 | 100.1 Ų | 100.1 | 61% | 0.608 | 58% | 0.582 | S | S | * | * | trans | -71.8 | 57 | 170 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | A18 L48 | C16-A18 PolarHBondContact O-N 3.3Å; C16-L48 HydrophobicContact CB-CD2 4.07Å | ||
| 17 | K | 30.8 | Very low | 30.6 | Very low | 168 Ų | 168 | 101.5 Ų | 101.5 | 73% | 0.73 | 58% | 0.584 | S | S | * | * | trans | -74.7 | 115 | 176.3 | -166.8 | 166 | -170.9 | 171.2 | 0 | 109.1 | F15 L19 | F15-K17 PolarHBondContact O-N 3.12Å; K17-L19 PolarHBondContact O-N 2.79Å | ||
| 18 | A | 30.6 | Very low | 30.1 | Very low | 93 Ų | 93 | 100.6 Ų | 100.6 | 77% | 0.769 | 58% | 0.584 | S | S | * | * | trans | -56.1 | 113.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | C16 | C16-A18 PolarHBondContact O-N 3.3Š| ||
| 19 | L | 30.5 | Very low | 29.6 | Very low | 83 Ų | 83 | 103 Ų | 103 | 44% | 0.435 | 59% | 0.591 | S | S | . | * | trans | -93.8 | 148.4 | 171 | -73.6 | 158.1 | 0 | 0 | 0 | 107.5 | K17 F21 S46 | K17-L19 PolarHBondContact O-N 2.79Å; L19-F21 HydrophobicContact CB-CE1 4.38Å; L19-F21 HydrophobicContact CD2-CE1 4.49Å; L19-S46 VanDerWaalsContact CB-OG 3.26Å; L19-S46 WeakPolarHBondContact CB-OG 3.41Å; L19-S46 WeakPolarHBondContact O-CB 3.21Å; L19-S46 PolarHBondContact O-OG 3.44Å | ||
| 20 | T | 31.5 | Very low | 29.5 | Very low | 126 Ų | 126 | 103 Ų | 103 | 77% | 0.773 | 59% | 0.591 | S | S | * | * | trans | -136.7 | 123.2 | 170.8 | -47.5 | 0 | 0 | 0 | 0 | 107.6 | S46 | T20-S46 VanDerWaalsContact CA-OG 3.24Å; T20-S46 WeakPolarHBondContact CA-OG 2.86Å; T20-S46 PolarHBondContact N-OG 3.09Å | ||
| 21 | F | 32.2 | Very low | 29.5 | Very low | 73 Ų | 73 | 104 Ų | 104 | 32% | 0.32 | 59% | 0.586 | S | S | . | * | trans | -104.1 | 162.6 | -170.5 | -70.5 | -31.7 | 0 | 0 | 0 | 114.9 | L19 V23 S44 L45 S46 I79 | L19-F21 HydrophobicContact CB-CE1 4.38Å; L19-F21 HydrophobicContact CD2-CE1 4.49Å; F21-V23 HydrophobicContact CB-CG2 4.45Å; F21-S44 CarbonylContact O-C 2.98Å; F21-S44 WeakPolarHBondContact O-CA 3.26Å; F21-S44 WeakPolarHBondContact O-CB 3.16Å; F21-S44 PolarHBondContact O-N 3.04Å; F21-L45 VanDerWaalsContact CD2-O 3.3Å; F21-L45 WeakPolarHBondContact CD2-O 3.12Å; F21-S46 WeakPolarHBondContact CD1-OG 3.49Å; F21-S46 VanDerWaalsContact CD2-CB 3.5Å; F21-S46 WeakPolarHBondContact CD2-OG 3.48Å; F21-S46 WeakPolarHBondContact CE1-OG 3.37Å; F21-S46 VanDerWaalsContact CE2-CB 3.44Å; F21-S46 WeakPolarHBondContact CE2-OG 3.25Å; F21-S46 WeakPolarHBondContact CG-OG 3.38Å; F21-S46 WeakPolarHBondContact CZ-OG 3.37Å; F21-S46 PolarHBondContact N-OG 3.18Å; F21-I79 HydrophobicContact CE2-CG2 4.43Å; F21-I79 HydrophobicContact CZ-CG2 4.18Å | ||
| 22 | K | 28.7 | Very low | 29.4 | Very low | 149 Ų | 149 | 107.1 Ų | 107.1 | 65% | 0.648 | 60% | 0.6 | S | S | * | * | trans | -153.9 | 140.3 | 159 | -58.6 | -177.6 | 168.4 | -150 | 0 | 106.8 | A42 | K22-A42 HydrophobicContact CB-CB 4.08Å; K22-A42 HydrophobicContact CD-CB 3.97Å; K22-A42 WeakPolarHBondContact CD-O 3.32Å; K22-A42 WeakPolarHBondContact CE-O 3.37Å; K22-A42 HydrophobicContact CG-CB 4.48Å; K22-A42 PolarHBondContact NZ-O 3.34Å | ||
| 23 | V | 31.2 | Very low | 29.5 | Very low | 94 Ų | 94 | 104.2 Ų | 104.2 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | cis | 56 | 131.9 | -11.2 | -105.2 | 0 | 0 | 0 | 0 | 120.3 | F21 A42 L43 S44 | F21-V23 HydrophobicContact CB-CG2 4.45Å; V23-A42 CarbonylContact O-C 3.5Å; V23-A42 WeakPolarHBondContact O-CA 3.24Å; V23-L43 CarbonylContact O-C 3.38Å; V23-L43 PolarHBondContact O-N 3Å; V23-S44 VanDerWaalsContact CB-OG 3.25Å; V23-S44 WeakPolarHBondContact CB-OG 3.4Å; V23-S44 WeakPolarHBondContact CG2-OG 3.18Å; V23-S44 PolarHBondContact O-OG 2.93Å | ||
| 24 | P | 28.2 | Very low | 29.9 | Very low | 59 Ų | 59 | 104.8 Ų | 104.8 | 38% | 0.383 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 168.8 | 168.7 | -7.2 | 28.8 | 0 | 0 | 0 | 115.8 | V26 P40 M41 A42 | P24-V26 HydrophobicContact CB-CG2 4.36Å; P24-P40 HydrophobicContact CB-CB 4.31Å; P24-P40 HydrophobicContact CG-CB 4.35Å; P24-M41 WeakPolarHBondContact CA-O 3.35Å; P24-M41 VanDerWaalsContact CB-O 3.27Å; P24-M41 WeakPolarHBondContact CB-O 3.41Å; P24-A42 HydrophobicContact CG-CB 4.47Å |
| 25 | V | 29.8 | Very low | 30.4 | Very low | 43 Ų | 43 | 105.9 Ų | 105.9 | 26% | 0.261 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.8 | 144.9 | 149.7 | -168.9 | 0 | 0 | 0 | 0 | 109.5 | M41 G65 | V25-M41 PolarHBondContact N-O 3.1Å; V25-G65 WeakPolarHBondContact CG1-O 3.17Å |
| 26 | V | 29.3 | Very low | 30.3 | Very low | 93 Ų | 93 | 103 Ų | 103 | 56% | 0.564 | 60% | 0.602 | S | S | * | * | trans | -136.8 | 108.2 | -178.1 | -172.1 | 0 | 0 | 0 | 0 | 107.8 | P24 G28 P40 | P24-V26 HydrophobicContact CB-CG2 4.36Å; V26-G28 PolarHBondContact O-N 3.04Å; V26-G28 VanDerWaalsContact O-N 3.16Å; V26-P40 HydrophobicContact CG2-CB 3.63Å | ||
| 27 | L | 27.1 | Very low | 30.7 | Very low | 101 Ų | 101 | 104.8 Ų | 104.8 | 53% | 0.529 | 61% | 0.613 | S | S | . | * | trans | -74.2 | 106.8 | 169.6 | -111.2 | 82.8 | 0 | 0 | 0 | 109.8 | N29 A63 | L27-N29 VanDerWaalsContact C-N 3.34Å; L27-N29 PolarHBondContact O-N 2.73Å; L27-A63 WeakPolarHBondContact CB-O 3.25Å; L27-A63 WeakPolarHBondContact CD2-O 3.27Å | ||
| 28 | G | 26.9 | Very low | 30.9 | Very low | 69 Ų | 69 | 103.6 Ų | 103.6 | 71% | 0.711 | 61% | 0.614 | S | S | * | * | trans | -65.1 | 94.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | V26 R30 | V26-G28 PolarHBondContact O-N 3.04Å; V26-G28 VanDerWaalsContact O-N 3.16Å; G28-R30 PolarHBondContact O-N 3.33Å | ||
| 29 | N | 26.5 | Very low | 30.8 | Very low | 125 Ų | 125 | 104 Ų | 104 | 67% | 0.668 | 61% | 0.608 | S | S | * | * | trans | -52.5 | 126.4 | -179 | -174.2 | -2.8 | 0 | 0 | 0 | 110.2 | L27 N31 | L27-N29 VanDerWaalsContact C-N 3.34Å; L27-N29 PolarHBondContact O-N 2.73Å; N29-N31 PolarHBondContact O-N 3.05Å; N29-N31 WeakPolarHBondContact OD1-CB 3.13Å; N29-N31 PolarHBondContact OD1-N 3.24Å | ||
| 30 | R | 28.9 | Very low | 30.9 | Very low | 171 Ų | 171 | 104.2 Ų | 104.2 | 65% | 0.645 | 62% | 0.615 | S | S | * | * | trans | -84.1 | 8.3 | -172.8 | -136.7 | -178.2 | -171.7 | -143.3 | -0.3 | 113.3 | G28 K88 | G28-R30 PolarHBondContact O-N 3.33Å; R30-K88 PolarHBondContact NH2-O 3.29Å | ||
| 31 | N | 29.8 | Very low | 30.8 | Very low | 96 Ų | 96 | 103.5 Ų | 103.5 | 51% | 0.513 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -87.4 | 135.2 | -175.1 | -161.7 | 55 | 0 | 0 | 0 | 112.5 | N29 S33 | N29-N31 PolarHBondContact O-N 3.05Å; N29-N31 WeakPolarHBondContact OD1-CB 3.13Å; N29-N31 PolarHBondContact OD1-N 3.24Å; N31-S33 WeakPolarHBondContact ND2-CB 3.17Å; N31-S33 PolarHBondContact ND2-OG 3.47Å; N31-S33 PolarHBondContact O-N 2.82Å |
| 32 | P | 30.3 | Very low | 30.8 | Very low | 132 Ų | 132 | 102.1 Ų | 102.1 | 86% | 0.857 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -78.1 | 68.1 | 175.2 | 33.6 | -35.6 | 0 | 0 | 0 | 111.4 | ||
| 33 | S | 34 | Very low | 30.9 | Very low | 60 Ų | 60 | 98.1 Ų | 98.1 | 42% | 0.42 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -133.9 | 145.4 | 176.7 | 52.8 | 0 | 0 | 0 | 0 | 109.5 | N31 | N31-S33 WeakPolarHBondContact ND2-CB 3.17Å; N31-S33 PolarHBondContact ND2-OG 3.47Å; N31-S33 PolarHBondContact O-N 2.82Å |
| 34 | P | 35.9 | Very low | 30.9 | Very low | 116 Ų | 116 | 95.1 Ų | 95.1 | 75% | 0.753 | 58% | 0.575 | S | S | * | * | trans | -57.9 | 144.8 | -171.5 | 22.3 | -33.4 | 0 | 0 | 0 | 112.8 | S36 | P34-S36 PolarHBondContact O-N 3.13Å; P34-S36 VanDerWaalsContact O-N 3.16Å | ||
| 35 | P | 37 | Very low | 31.1 | Very low | 126 Ų | 126 | 94.7 Ų | 94.7 | 82% | 0.818 | 57% | 0.569 | S | S | * | * | trans | -76.3 | 106.4 | -166.5 | 29.5 | -35.4 | 0 | 0 | 0 | 112.6 | ||||
| 36 | S | 30.2 | Very low | 31.1 | Very low | 96 Ų | 96 | 93.6 Ų | 93.6 | 67% | 0.671 | 56% | 0.563 | S | S | * | * | trans | -70.4 | 126.9 | 158.7 | -69.6 | 0 | 0 | 0 | 0 | 109.7 | P34 L38 | P34-S36 PolarHBondContact O-N 3.13Å; P34-S36 VanDerWaalsContact O-N 3.16Å; S36-L38 PolarHBondContact O-N 3.23Å | ||
| 37 | P | 35.6 | Very low | 31.3 | Very low | 128 Ų | 128 | 90.9 Ų | 90.9 | 83% | 0.831 | 55% | 0.545 | S | S | * | . | trans | -76.8 | 85 | -179 | 31.3 | -35 | 0 | 0 | 0 | 111.2 | ||||
| 38 | L | 34 | Very low | 31.5 | Very low | 143 Ų | 143 | 88.6 Ų | 88.6 | 75% | 0.749 | 53% | 0.534 | S | S | * | . | trans | -71 | 127.7 | 167.4 | -76.3 | 143.9 | 0 | 0 | 0 | 109.4 | S36 | S36-L38 PolarHBondContact O-N 3.23Š| ||
| 39 | P | 29.7 | Very low | 31.9 | Very low | 100 Ų | 100 | 85.9 Ų | 85.9 | 65% | 0.649 | 50% | 0.503 | S | S | * | . | trans | -70.2 | 147.3 | -178.2 | 28.8 | -34.8 | 0 | 0 | 0 | 111.5 | M41 | P39-M41 PolarHBondContact O-N 2.87Å; P39-M41 VanDerWaalsContact O-N 3.09Å | ||
| 40 | P | 33.1 | Very low | 32 | Very low | 89 Ų | 89 | 80.6 Ų | 80.6 | 58% | 0.578 | 48% | 0.475 | S | S | * | . | trans | -68.3 | 109.1 | -177.9 | 27.1 | -34.5 | 0 | 0 | 0 | 111.7 | P24 V26 A42 | P24-P40 HydrophobicContact CB-CB 4.31Å; P24-P40 HydrophobicContact CG-CB 4.35Å; V26-P40 HydrophobicContact CG2-CB 3.63Å; P40-A42 PolarHBondContact O-N 2.98Å | ||
| 41 | M | 28.8 | Very low | 32.3 | Very low | 110 Ų | 110 | 78.7 Ų | 78.7 | 54% | 0.542 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 95.7 | -175.4 | -75 | -132.5 | -151.2 | 0 | 0 | 112.4 | P24 V25 P39 L43 | P24-M41 WeakPolarHBondContact CA-O 3.35Å; P24-M41 VanDerWaalsContact CB-O 3.27Å; P24-M41 WeakPolarHBondContact CB-O 3.41Å; V25-M41 PolarHBondContact N-O 3.1Å; P39-M41 PolarHBondContact O-N 2.87Å; P39-M41 VanDerWaalsContact O-N 3.09Å; M41-L43 PolarHBondContact O-N 3.34Å; M41-L43 VanDerWaalsContact O-N 3.1Å |
| 42 | A | 31.2 | Very low | 32.3 | Very low | 45 Ų | 45 | 79.2 Ų | 79.2 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 107.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K22 V23 P24 P40 | K22-A42 HydrophobicContact CB-CB 4.08Å; K22-A42 HydrophobicContact CD-CB 3.97Å; K22-A42 WeakPolarHBondContact CD-O 3.32Å; K22-A42 WeakPolarHBondContact CE-O 3.37Å; K22-A42 HydrophobicContact CG-CB 4.48Å; K22-A42 PolarHBondContact NZ-O 3.34Å; V23-A42 CarbonylContact O-C 3.5Å; V23-A42 WeakPolarHBondContact O-CA 3.24Å; P24-A42 HydrophobicContact CG-CB 4.47Å; P40-A42 PolarHBondContact O-N 2.98Å |
| 43 | L | 32.3 | Very low | 32.3 | Very low | 65 Ų | 65 | 83.5 Ų | 83.5 | 34% | 0.34 | 49% | 0.487 | S | S | . | . | trans | -158.4 | 120.2 | -179.6 | -168.4 | 165.9 | 0 | 0 | 0 | 107.8 | V23 M41 | V23-L43 CarbonylContact O-C 3.38Å; V23-L43 PolarHBondContact O-N 3Å; M41-L43 PolarHBondContact O-N 3.34Å; M41-L43 VanDerWaalsContact O-N 3.1Å | ||
| 44 | S | 29.9 | Very low | 32.3 | Very low | 31 Ų | 31 | 84.9 Ų | 84.9 | 22% | 0.217 | 49% | 0.489 | C | S | . | . | trans | -160.5 | -165.7 | 175.2 | -69.1 | 0 | 0 | 0 | 0 | 111 | F21 V23 | F21-S44 CarbonylContact O-C 2.98Å; F21-S44 WeakPolarHBondContact O-CA 3.26Å; F21-S44 WeakPolarHBondContact O-CB 3.16Å; F21-S44 PolarHBondContact O-N 3.04Å; V23-S44 VanDerWaalsContact CB-OG 3.25Å; V23-S44 WeakPolarHBondContact CB-OG 3.4Å; V23-S44 WeakPolarHBondContact CG2-OG 3.18Å; V23-S44 PolarHBondContact O-OG 2.93Å | ||
| 45 | L | 33.3 | Very low | 32.1 | Very low | 49 Ų | 49 | 84 Ų | 84 | 26% | 0.257 | 49% | 0.486 | S | S | . | . | trans | -143.6 | 141.1 | -168.5 | -49.4 | 92.5 | 0 | 0 | 0 | 109.3 | F21 L47 L67 L68 I69 | F21-L45 VanDerWaalsContact CD2-O 3.3Å; F21-L45 WeakPolarHBondContact CD2-O 3.12Å; L45-L47 HydrophobicContact CB-CD1 3.48Å; L45-L47 VanDerWaalsContact CB-CD1 3.48Å; L45-L67 WeakPolarHBondContact CD1-O 3.44Å; L45-L68 HydrophobicContact CD2-CD2 4.41Å; L45-I69 HydrophobicContact CD1-CB 4.45Å; L45-I69 HydrophobicContact CD1-CG1 4.26Å; L45-I69 HydrophobicContact CD2-CB 4.45Å; L45-I69 WeakPolarHBondContact CD2-O 2.92Å | ||
| 46 | S | 29.8 | Very low | 32.1 | Very low | 20 Ų | 20 | 82.3 Ų | 82.3 | 14% | 0.14 | 47% | 0.469 | C | S | . | . | trans | -104.1 | 134.5 | 162.3 | -33.3 | 0 | 0 | 0 | 0 | 108.3 | L19 T20 F21 | L19-S46 VanDerWaalsContact CB-OG 3.26Å; L19-S46 WeakPolarHBondContact CB-OG 3.41Å; L19-S46 WeakPolarHBondContact O-CB 3.21Å; L19-S46 PolarHBondContact O-OG 3.44Å; T20-S46 VanDerWaalsContact CA-OG 3.24Å; T20-S46 WeakPolarHBondContact CA-OG 2.86Å; T20-S46 PolarHBondContact N-OG 3.09Å; F21-S46 WeakPolarHBondContact CD1-OG 3.49Å; F21-S46 VanDerWaalsContact CD2-CB 3.5Å; F21-S46 WeakPolarHBondContact CD2-OG 3.48Å; F21-S46 WeakPolarHBondContact CE1-OG 3.37Å; F21-S46 VanDerWaalsContact CE2-CB 3.44Å; F21-S46 WeakPolarHBondContact CE2-OG 3.25Å; F21-S46 WeakPolarHBondContact CG-OG 3.38Å; F21-S46 WeakPolarHBondContact CZ-OG 3.37Å; F21-S46 PolarHBondContact N-OG 3.18Å | ||
| 47 | L | 33.7 | Very low | 32.1 | Very low | 36 Ų | 36 | 82.4 Ų | 82.4 | 19% | 0.188 | 47% | 0.47 | C | S | . | . | trans | -114.6 | 123.5 | -179.1 | -77.9 | 56.5 | 0 | 0 | 0 | 106.9 | L45 I49 L56 I69 C71 | L45-L47 HydrophobicContact CB-CD1 3.48Å; L45-L47 VanDerWaalsContact CB-CD1 3.48Å; L47-I49 HydrophobicContact CB-CD1 3.64Å; L47-I49 HydrophobicContact CB-CG1 3.52Å; L47-I49 HydrophobicContact CD2-CD1 4.33Å; L47-I49 WeakPolarHBondContact O-CG1 3.3Å; L47-L56 HydrophobicContact CD2-CD2 4.12Å; L47-I69 HydrophobicContact CD2-CB 4.21Å; L47-I69 HydrophobicContact CD2-CG2 3.61Å; L47-C71 HydrophobicContact CB-CB 4.04Å; L47-C71 HydrophobicContact CD2-CB 3.65Å; L47-C71 HydrophobicContact CG-CB 3.83Å | ||
| 48 | L | 30.9 | Very low | 32 | Very low | 54 Ų | 54 | 78.4 Ų | 78.4 | 28% | 0.283 | 45% | 0.452 | S | S | . | . | trans | -83.8 | 126 | 160.6 | -139.3 | 72.8 | 0 | 0 | 0 | 105.9 | C16 S73 C77 | C16-L48 HydrophobicContact CB-CD2 4.07Å; L48-S73 WeakPolarHBondContact O-CB 3.36Å; L48-C77 HydrophobicContact CD1-CB 4.17Å | ||
| 49 | I | 34.1 | Very low | 31.9 | Very low | 12 Ų | 12 | 75.3 Ų | 75.3 | 6% | 0.062 | 44% | 0.443 | C | S | . | . | trans | -143.9 | 142.6 | -164.6 | -39.1 | 164.3 | 0 | 0 | 0 | 110.6 | L47 L54 C71 F80 | L47-I49 HydrophobicContact CB-CD1 3.64Å; L47-I49 HydrophobicContact CB-CG1 3.52Å; L47-I49 HydrophobicContact CD2-CD1 4.33Å; L47-I49 WeakPolarHBondContact O-CG1 3.3Å; I49-L54 HydrophobicContact CD1-CD1 4.44Å; I49-L54 HydrophobicContact CD1-CD2 4.36Å; I49-L54 HydrophobicContact CG2-CD1 3.75Å; I49-L54 HydrophobicContact CG2-CD2 3.85Å; I49-L54 HydrophobicContact CG2-CG 3.44Å; I49-L54 VanDerWaalsContact CG2-CG 3.44Å; I49-C71 HydrophobicContact CG1-CB 4.09Å; I49-C71 HydrophobicContact CG2-CB 4.36Å; I49-F80 HydrophobicContact CD1-CD2 3.81Å; I49-F80 HydrophobicContact CD1-CE2 4.18Å | ||
| 50 | P | 30.2 | Very low | 31.9 | Very low | 13 Ų | 13 | 74.5 Ų | 74.5 | 8% | 0.084 | 44% | 0.439 | C | S | . | . | trans | -96.2 | 154.8 | -172.3 | 36.9 | -28.2 | 0 | 0 | 0 | 112.5 | S52 I72 R74 G75 | P50-S52 PolarHBondContact O-N 3.09Å; P50-I72 WeakPolarHBondContact CD-O 3.37Å; P50-R74 VanDerWaalsContact CB-C 3.46Å; P50-R74 VanDerWaalsContact CB-N 3.33Å; P50-G75 WeakPolarHBondContact CA-O 3.42Å; P50-G75 WeakPolarHBondContact CB-O 3.48Å | ||
| 51 | L | 34.5 | Very low | 31.9 | Very low | 131 Ų | 131 | 77 Ų | 77 | 69% | 0.686 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -75.7 | 45 | 178.7 | -61.9 | 174 | 0 | 0 | 0 | 112.9 | G75 | L51-G75 PolarHBondContact N-O 2.94Š|
| 52 | S | 30.3 | Very low | 32 | Very low | 107 Ų | 107 | 74.7 Ų | 74.7 | 75% | 0.748 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -151 | -42.3 | -177.8 | -61.1 | 0 | 0 | 0 | 0 | 116.1 | P50 | P50-S52 PolarHBondContact O-N 3.09Š|
| 53 | R | 29.2 | Very low | 31.9 | Very low | 223 Ų | 223 | 76.5 Ų | 76.5 | 84% | 0.842 | 46% | 0.455 | S | S | * | . | trans | -145.7 | 122.4 | 177.1 | -67.9 | -168 | -179.1 | -166.7 | -0.9 | 111.3 | ||||
| 54 | L | 34.1 | Very low | 31.9 | Very low | 88 Ų | 88 | 76.9 Ų | 76.9 | 46% | 0.461 | 46% | 0.457 | S | S | . | . | trans | -122.2 | 111 | -179.7 | -124.6 | 159.9 | 0 | 0 | 0 | 108.1 | I49 L56 | I49-L54 HydrophobicContact CD1-CD1 4.44Å; I49-L54 HydrophobicContact CD1-CD2 4.36Å; I49-L54 HydrophobicContact CG2-CD1 3.75Å; I49-L54 HydrophobicContact CG2-CD2 3.85Å; I49-L54 HydrophobicContact CG2-CG 3.44Å; I49-L54 VanDerWaalsContact CG2-CG 3.44Å; L54-L56 HydrophobicContact CD2-CD1 4.06Å; L54-L56 HydrophobicContact CD2-CD2 3.55Å; L54-L56 HydrophobicContact CD2-CG 3.58Å | ||
| 55 | S | 33 | Very low | 31.9 | Very low | 99 Ų | 99 | 75.9 Ų | 75.9 | 69% | 0.692 | 45% | 0.452 | S | S | * | . | trans | -117.9 | 99.1 | 174.2 | -168.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 56 | L | 35.3 | Very low | 31.8 | Very low | 89 Ų | 89 | 74.7 Ų | 74.7 | 47% | 0.466 | 45% | 0.448 | S | S | . | . | trans | -91.9 | 105.1 | 176.8 | -61.1 | 170.8 | 0 | 0 | 0 | 107.5 | L47 L54 I69 M82 | L47-L56 HydrophobicContact CD2-CD2 4.12Å; L54-L56 HydrophobicContact CD2-CD1 4.06Å; L54-L56 HydrophobicContact CD2-CD2 3.55Å; L54-L56 HydrophobicContact CD2-CG 3.58Å; L56-I69 HydrophobicContact CD2-CG2 3.47Å; L56-I69 VanDerWaalsContact CD2-CG2 3.47Å; L56-M82 HydrophobicContact CD1-SD 4.24Å | ||
| 57 | S | 31.2 | Very low | 32 | Very low | 99 Ų | 99 | 76.9 Ų | 76.9 | 69% | 0.692 | 46% | 0.457 | S | S | * | . | trans | -117 | 134 | 168.8 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 58 | G | 34.4 | Very low | 31.8 | Very low | 43 Ų | 43 | 80.8 Ų | 80.8 | 44% | 0.443 | 48% | 0.478 | S | S | . | . | trans | -155.2 | 132.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110 | L68 | G58-L68 VanDerWaalsContact CA-O 3.25Å; G58-L68 WeakPolarHBondContact CA-O 3.42Å | ||
| 59 | S | 30.7 | Very low | 32 | Very low | 79 Ų | 79 | 80.1 Ų | 80.1 | 55% | 0.552 | 47% | 0.474 | S | S | * | . | trans | -99.1 | 153.4 | 166.3 | -166.7 | 0 | 0 | 0 | 0 | 109.4 | D61 | S59-D61 WeakPolarHBondContact CB-OD2 3.1Å; S59-D61 PolarHBondContact OG-OD2 3.37Å | ||
| 60 | S | 31 | Very low | 31.9 | Very low | 82 Ų | 82 | 83.7 Ų | 83.7 | 57% | 0.573 | 50% | 0.5 | S | S | * | . | trans | -119.1 | 79.9 | 176.5 | 62.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 61 | D | 31.9 | Very low | 31.9 | Very low | 142 Ų | 142 | 84.7 Ų | 84.7 | 76% | 0.759 | 51% | 0.507 | S | S | * | . | trans | -95.5 | 21.9 | -179.3 | -78.5 | -79.2 | 0 | 0 | 0 | 113.4 | S59 | S59-D61 WeakPolarHBondContact CB-OD2 3.1Å; S59-D61 PolarHBondContact OG-OD2 3.37Å | ||
| 62 | T | 30.6 | Very low | 31.7 | Very low | 62 Ų | 62 | 85.2 Ų | 85.2 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -131.3 | 139.4 | -177.6 | 54.9 | 0 | 0 | 0 | 0 | 112.7 | D64 G65 S66 | T62-D64 PolarHBondContact O-N 2.64Å; T62-D64 VanDerWaalsContact O-N 3.17Å; T62-G65 PolarHBondContact O-N 2.91Å; T62-S66 PolarHBondContact OG1-N 3.17Å |
| 63 | A | 29.3 | Very low | 31.9 | Very low | 83 Ų | 83 | 82.4 Ų | 82.4 | 69% | 0.686 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -7.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L27 | L27-A63 WeakPolarHBondContact CB-O 3.25Å; L27-A63 WeakPolarHBondContact CD2-O 3.27Å |
| 64 | D | 32.1 | Very low | 31.9 | Very low | 72 Ų | 72 | 82.8 Ų | 82.8 | 39% | 0.385 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -12.2 | 175.5 | -39.3 | -87.9 | 0 | 0 | 0 | 111.9 | T62 | T62-D64 PolarHBondContact O-N 2.64Å; T62-D64 VanDerWaalsContact O-N 3.17Å |
| 65 | G | 31.4 | Very low | 31.7 | Very low | 10 Ų | 10 | 80.7 Ų | 80.7 | 10% | 0.103 | 49% | 0.491 | C | S | . | . | trans | 82.5 | 12 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | V25 T62 L67 | V25-G65 WeakPolarHBondContact CG1-O 3.17Å; T62-G65 PolarHBondContact O-N 2.91Å; G65-L67 PolarHBondContact O-N 3.07Å | ||
| 66 | S | 30.6 | Very low | 31.7 | Very low | 25 Ų | 25 | 79.6 Ų | 79.6 | 18% | 0.175 | 48% | 0.483 | C | S | . | . | trans | -57 | 100.5 | -174.9 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | T62 L68 | T62-S66 PolarHBondContact OG1-N 3.17Å; S66-L68 PolarHBondContact O-N 3.22Å | ||
| 67 | L | 33.4 | Very low | 31.5 | Very low | 65 Ų | 65 | 79.1 Ų | 79.1 | 34% | 0.34 | 49% | 0.486 | S | S | . | . | trans | -79.7 | 105.9 | 174.2 | -85.7 | 163 | 0 | 0 | 0 | 110.1 | L45 G65 | L45-L67 WeakPolarHBondContact CD1-O 3.44Å; G65-L67 PolarHBondContact O-N 3.07Å | ||
| 68 | L | 30.5 | Very low | 31.6 | Very low | 119 Ų | 119 | 75.9 Ų | 75.9 | 62% | 0.623 | 47% | 0.468 | S | S | * | . | trans | -80.2 | 129.9 | 168.2 | -75.1 | 162.9 | 0 | 0 | 0 | 109.8 | L45 G58 S66 | L45-L68 HydrophobicContact CD2-CD2 4.41Å; G58-L68 VanDerWaalsContact CA-O 3.25Å; G58-L68 WeakPolarHBondContact CA-O 3.42Å; S66-L68 PolarHBondContact O-N 3.22Å | ||
| 69 | I | 34.1 | Very low | 31.6 | Very low | 40 Ų | 40 | 79.6 Ų | 79.6 | 21% | 0.205 | 48% | 0.476 | C | S | . | . | trans | -135 | 107 | -175.4 | -45.1 | 178.4 | 0 | 0 | 0 | 110.1 | L45 L47 L56 M82 | L45-I69 HydrophobicContact CD1-CB 4.45Å; L45-I69 HydrophobicContact CD1-CG1 4.26Å; L45-I69 HydrophobicContact CD2-CB 4.45Å; L45-I69 WeakPolarHBondContact CD2-O 2.92Å; L47-I69 HydrophobicContact CD2-CB 4.21Å; L47-I69 HydrophobicContact CD2-CG2 3.61Å; L56-I69 HydrophobicContact CD2-CG2 3.47Å; L56-I69 VanDerWaalsContact CD2-CG2 3.47Å; I69-M82 HydrophobicContact CD1-CE 3.92Å | ||
| 70 | S | 31.3 | Very low | 31.8 | Very low | 87 Ų | 87 | 81.2 Ų | 81.2 | 61% | 0.608 | 47% | 0.474 | S | S | * | . | trans | -87.3 | 148.4 | 175.1 | -169.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 71 | C | 32.1 | Very low | 31.9 | Very low | 33 Ų | 33 | 88.1 Ų | 88.1 | 22% | 0.223 | 49% | 0.487 | C | S | . | . | trans | -150 | 154.5 | 167.5 | -100 | 0 | 0 | 0 | 0 | 112.2 | L47 I49 | L47-C71 HydrophobicContact CB-CB 4.04Å; L47-C71 HydrophobicContact CD2-CB 3.65Å; L47-C71 HydrophobicContact CG-CB 3.83Å; I49-C71 HydrophobicContact CG1-CB 4.09Å; I49-C71 HydrophobicContact CG2-CB 4.36Å | ||
| 72 | I | 30.1 | Very low | 31.8 | Very low | 142 Ų | 142 | 86.3 Ų | 86.3 | 73% | 0.728 | 48% | 0.476 | S | S | * | . | trans | -128.9 | 124.6 | -173.6 | -63.9 | 167.1 | 0 | 0 | 0 | 108.1 | P50 | P50-I72 WeakPolarHBondContact CD-O 3.37Š| ||
| 73 | S | 33.1 | Very low | 31.8 | Very low | 48 Ų | 48 | 86.9 Ų | 86.9 | 34% | 0.336 | 49% | 0.493 | S | S | . | . | trans | -110.6 | 133.6 | -174.3 | -166.4 | 0 | 0 | 0 | 0 | 116 | L48 | L48-S73 WeakPolarHBondContact O-CB 3.36Š| ||
| 74 | R | 30.1 | Very low | 31.8 | Very low | 232 Ų | 232 | 86.6 Ų | 86.6 | 88% | 0.875 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -132.5 | 65.6 | 169.8 | -72.1 | -173.6 | 164.1 | -157.3 | -4.8 | 110.7 | P50 | P50-R74 VanDerWaalsContact CB-C 3.46Å; P50-R74 VanDerWaalsContact CB-N 3.33Å |
| 75 | G | 29.7 | Very low | 31.5 | Very low | 44 Ų | 44 | 90.9 Ų | 90.9 | 45% | 0.454 | 50% | 0.504 | S | S | . | . | S | Bend | trans | 113.4 | 128.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | P50 L51 | P50-G75 WeakPolarHBondContact CA-O 3.42Å; P50-G75 WeakPolarHBondContact CB-O 3.48Å; L51-G75 PolarHBondContact N-O 2.94Å |
| 76 | S | 32.8 | Very low | 31.3 | Very low | 76 Ų | 76 | 94.7 Ų | 94.7 | 53% | 0.531 | 53% | 0.534 | S | S | . | . | trans | 71 | 154.6 | -175.2 | -58.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 77 | C | 30.5 | Very low | 31.1 | Very low | 78 Ų | 78 | 98 Ų | 98 | 53% | 0.527 | 55% | 0.552 | S | S | . | * | trans | -127.1 | 126.8 | -179 | -62.6 | 0 | 0 | 0 | 0 | 109.5 | L48 | L48-C77 HydrophobicContact CD1-CB 4.17Š| ||
| 78 | G | 33.5 | Very low | 30.8 | Very low | 31 Ų | 31 | 102.6 Ų | 102.6 | 32% | 0.32 | 57% | 0.57 | S | S | . | * | trans | -137.6 | 140.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F80 | G78-F80 WeakPolarHBondContact O-CD2 3.36Š| ||
| 79 | I | 35.8 | Very low | 30.6 | Very low | 121 Ų | 121 | 99.8 Ų | 99.8 | 62% | 0.621 | 57% | 0.57 | S | S | * | * | trans | -92.5 | 103.1 | 177.5 | -58.7 | 177 | 0 | 0 | 0 | 108.5 | F21 | F21-I79 HydrophobicContact CE2-CG2 4.43Å; F21-I79 HydrophobicContact CZ-CG2 4.18Å | ||
| 80 | F | 34.3 | Very low | 30.2 | Very low | 114 Ų | 114 | 108.5 Ų | 108.5 | 50% | 0.5 | 60% | 0.6 | S | S | . | * | trans | -86.5 | 118.6 | 174.2 | -63.4 | -90.3 | 0 | 0 | 0 | 110.1 | I49 G78 | I49-F80 HydrophobicContact CD1-CD2 3.81Å; I49-F80 HydrophobicContact CD1-CE2 4.18Å; G78-F80 WeakPolarHBondContact O-CD2 3.36Å | ||
| 81 | R | 32.1 | Very low | 29.9 | Very low | 226 Ų | 226 | 110.2 Ų | 110.2 | 85% | 0.853 | 61% | 0.612 | S | S | * | * | trans | -89.5 | 114.1 | 162 | -79.3 | -173.8 | 171.2 | -174.3 | -2.1 | 108.3 | ||||
| 82 | M | 31.2 | Very low | 29.7 | Very low | 105 Ų | 105 | 113.8 Ų | 113.8 | 52% | 0.517 | 63% | 0.628 | S | S | . | * | trans | -98.3 | 123.6 | 168.6 | -64.5 | -172.5 | -67.4 | 0 | 0 | 108.7 | L56 I69 | L56-M82 HydrophobicContact CD1-SD 4.24Å; I69-M82 HydrophobicContact CD1-CE 3.92Å | ||
| 83 | G | 29.5 | Very low | 29.5 | Very low | 73 Ų | 73 | 110 Ų | 110 | 75% | 0.753 | 62% | 0.624 | S | S | * | * | trans | -95.8 | 119.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 84 | C | 29.5 | Very low | 29.2 | Very low | 77 Ų | 77 | 112.3 Ų | 112.3 | 52% | 0.52 | 64% | 0.639 | S | S | . | * | trans | -104 | 107 | 174 | -65.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 85 | E | 27 | Very low | 29.1 | Very low | 163 Ų | 163 | 109.1 Ų | 109.1 | 76% | 0.762 | 64% | 0.639 | S | S | * | * | trans | -85.2 | 117.7 | 173.3 | -163.6 | -176.8 | 125.9 | 0 | 0 | 110 | V87 | E85-V87 VanDerWaalsContact C-N 3.31Å; E85-V87 PolarHBondContact O-N 2.91Å | ||
| 86 | A | 27 | Very low | 29.2 | Very low | 89 Ų | 89 | 114.4 Ų | 114.4 | 74% | 0.736 | 66% | 0.656 | S | S | * | * | trans | -80 | 72.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112 | K88 | A86-K88 PolarHBondContact O-N 3.16Å; A86-K88 VanDerWaalsContact O-N 3.1Å | ||
| 87 | V | 25 | Very low | 29.2 | Very low | 94 Ų | 94 | 115.2 Ų | 115.2 | 57% | 0.57 | 66% | 0.659 | S | S | * | * | trans | -61.4 | 115.7 | 179.1 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | E85 G89 | E85-V87 VanDerWaalsContact C-N 3.31Å; E85-V87 PolarHBondContact O-N 2.91Å; V87-G89 PolarHBondContact O-N 3.17Å | ||
| 88 | K | 26.8 | Very low | 29 | Very low | 162 Ų | 162 | 123.7 Ų | 123.7 | 70% | 0.704 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 80 | -164.3 | -156.1 | -170.2 | -172.8 | 178.5 | 0 | 113.4 | R30 A86 | R30-K88 PolarHBondContact NH2-O 3.29Å; A86-K88 PolarHBondContact O-N 3.16Å; A86-K88 VanDerWaalsContact O-N 3.1Å |
| 89 | G | 27.1 | Very low | 28.9 | Very low | 60 Ų | 60 | 126 Ų | 126 | 62% | 0.619 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.8 | 26.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | V87 | V87-G89 PolarHBondContact O-N 3.17Š|
| 90 | R | 25.3 | Very low | 28.4 | Very low | 224 Ų | 224 | 128.6 Ų | 128.6 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -135.7 | 158.1 | 166 | -72.5 | -174.4 | 174 | 170.9 | -1.7 | 110.2 | ||
| 91 | S | 26 | Very low | 28 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | trans | -57.7 | 140 | -178.9 | -50.6 | 0 | 0 | 0 | 0 | 112.2 | G93 | S91-G93 VanDerWaalsContact C-N 3.31Å; S91-G93 PolarHBondContact O-N 3.16Å | ||
| 92 | L | 27.2 | Very low | 27.5 | Very low | 107 Ų | 107 | 123 Ų | 123 | 56% | 0.56 | 71% | 0.709 | S | S | * | * | trans | -71.8 | 80.5 | 179 | -80.5 | 162.6 | 0 | 0 | 0 | 111.7 | C94 | L92-C94 PolarHBondContact O-N 3.29Š| ||
| 93 | G | 26 | Very low | 27.3 | Very low | 62 Ų | 62 | 127.2 Ų | 127.2 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | trans | -70.6 | 108.5 | 161 | 0 | 0 | 0 | 0 | 0 | 109.6 | S91 L95 | S91-G93 VanDerWaalsContact C-N 3.31Å; S91-G93 PolarHBondContact O-N 3.16Å; G93-L95 PolarHBondContact O-N 3.25Å | ||
| 94 | C | 27.9 | Very low | 27 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 66% | 0.655 | 72% | 0.72 | S | S | * | * | trans | -68 | 92.6 | 178.3 | -67.7 | 0 | 0 | 0 | 0 | 111.3 | L92 L96 | L92-C94 PolarHBondContact O-N 3.29Å; C94-L96 PolarHBondContact O-N 2.94Å | ||
| 95 | L | 28 | Very low | 26.8 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | trans | -72.8 | 109.3 | 170.8 | -72.4 | 168.1 | 0 | 0 | 0 | 109.6 | G93 P97 | G93-L95 PolarHBondContact O-N 3.25Å; L95-P97 WeakPolarHBondContact O-CD 3.41Å | ||
| 96 | L | 30.9 | Very low | 26.6 | Very low | 155 Ų | 155 | 130 Ų | 130 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | trans | -64.5 | 124 | 174.5 | -78 | 73.7 | 0 | 0 | 0 | 109.5 | C94 R98 | C94-L96 PolarHBondContact O-N 2.94Å; L96-R98 PolarHBondContact O-N 2.93Å | ||
| 97 | P | 33.3 | Very low | 26.5 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 60% | 0.604 | 74% | 0.742 | S | S | * | * | trans | -66.9 | 117.1 | 173.3 | 26.8 | -32.7 | 0 | 0 | 0 | 109.8 | L95 S99 | L95-P97 WeakPolarHBondContact O-CD 3.41Å; P97-S99 VanDerWaalsContact C-N 3.28Å; P97-S99 PolarHBondContact O-N 3.1Å; P97-S99 PolarHBondContact O-OG 2.87Å | ||
| 98 | R | 26.6 | Very low | 26.4 | Very low | 256 Ų | 256 | 132.8 Ų | 132.8 | 97% | 0.966 | 75% | 0.748 | S | S | * | * | trans | -75.6 | 70.9 | -176.1 | -172.6 | -178.1 | -179.9 | -178.6 | 0.3 | 111.2 | L96 | L96-R98 PolarHBondContact O-N 2.93Š| ||
| 99 | S | 30.9 | Very low | 26.3 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 57% | 0.566 | 76% | 0.755 | S | S | * | * | trans | -102.5 | 116.3 | -169.5 | 51.6 | 0 | 0 | 0 | 0 | 114.6 | P97 C101 | P97-S99 VanDerWaalsContact C-N 3.28Å; P97-S99 PolarHBondContact O-N 3.1Å; P97-S99 PolarHBondContact O-OG 2.87Å; S99-C101 VanDerWaalsContact C-N 3.3Å; S99-C101 PolarHBondContact O-N 3.25Å | ||
| 100 | N | 24.2 | Very low | 26 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | trans | -72.8 | 83 | 162.3 | -83.3 | -7.8 | 0 | 0 | 0 | 109.5 | ||||
| 101 | C | 25.5 | Very low | 26 | Very low | 75 Ų | 75 | 141.4 Ų | 141.4 | 51% | 0.507 | 76% | 0.764 | S | S | . | * | trans | -135.3 | 89.7 | -175.7 | -84.2 | 0 | 0 | 0 | 0 | 112.2 | S99 Y103 | S99-C101 VanDerWaalsContact C-N 3.3Å; S99-C101 PolarHBondContact O-N 3.25Å; C101-Y103 HydrophobicContact CB-CD2 3.94Å; C101-Y103 HydrophobicContact CB-CE2 3.75Å; C101-Y103 PolarHBondContact O-N 2.9Å; C101-Y103 VanDerWaalsContact O-N 3.13Å | ||
| 102 | T | 23.3 | Very low | 25.9 | Very low | 148 Ų | 148 | 142 Ų | 142 | 91% | 0.908 | 76% | 0.762 | S | S | * | * | trans | -80.6 | 88 | -177.5 | -42.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 103 | Y | 27.3 | Very low | 25.8 | Very low | 194 Ų | 194 | 142.1 Ų | 142.1 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | -103.5 | 104.6 | 177.3 | -72.9 | -73.6 | 0 | 0 | 0 | 112.4 | C101 | C101-Y103 HydrophobicContact CB-CD2 3.94Å; C101-Y103 HydrophobicContact CB-CE2 3.75Å; C101-Y103 PolarHBondContact O-N 2.9Å; C101-Y103 VanDerWaalsContact O-N 3.13Å | ||
| 104 | G | 23.3 | Very low | 25.6 | Very low | 71 Ų | 71 | 144.6 Ų | 144.6 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | -75.1 | 140.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | M106 | G104-M106 PolarHBondContact O-N 3.29Å; G104-M106 VanDerWaalsContact O-N 3.09Å | ||
| 105 | C | 24.3 | Very low | 25.4 | Very low | 120 Ų | 120 | 145 Ų | 145 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -76.7 | 92.8 | 174.8 | -71.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 106 | M | 23.1 | Very low | 25 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | trans | -92.9 | 108.4 | 177.3 | -150.3 | 171.9 | -167.4 | 0 | 0 | 111.2 | G104 L108 | G104-M106 PolarHBondContact O-N 3.29Å; G104-M106 VanDerWaalsContact O-N 3.09Å; M106-L108 PolarHBondContact O-N 2.76Å; M106-L108 VanDerWaalsContact O-N 3.12Å | ||
| 107 | S | 23.9 | Very low | 24.8 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -71.7 | 98.2 | -178.1 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 108 | L | 23.2 | Very low | 24.3 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | trans | -143.8 | 149.4 | 166 | -108 | 167.5 | 0 | 0 | 0 | 112.8 | M106 Y111 | M106-L108 PolarHBondContact O-N 2.76Å; M106-L108 VanDerWaalsContact O-N 3.12Å; L108-Y111 HydrophobicContact CB-CD2 4.33Å; L108-Y111 HydrophobicContact CB-CE2 4.36Å | ||
| 109 | R | 24.6 | Very low | 24.2 | Very low | 227 Ų | 227 | 143.9 Ų | 143.9 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -74 | 140.5 | -178.7 | -57.6 | 174.3 | -177.9 | -175.1 | -0.5 | 109.5 | ||
| 110 | K | 22.3 | Very low | 23.8 | Very low | 206 Ų | 206 | 147.4 Ų | 147.4 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | trans | 54.9 | 73 | 173.1 | -58.8 | -175.4 | -177.7 | -175.8 | 0 | 115.8 | ||||
| 111 | Y | 25.3 | Very low | 23.8 | Very low | 194 Ų | 194 | 145.8 Ų | 145.8 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | trans | -126 | 114.6 | 159.7 | -79 | -80.9 | 0 | 0 | 0 | 112.2 | L108 S113 | L108-Y111 HydrophobicContact CB-CD2 4.33Å; L108-Y111 HydrophobicContact CB-CE2 4.36Å; Y111-S113 PolarHBondContact O-N 2.74Å | ||
| 112 | V | 22.1 | Very low | 23.7 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -75.8 | 110.6 | 162.9 | 177.2 | 0 | 0 | 0 | 0 | 106.4 | V114 | V112-V114 HydrophobicContact CG1-CG2 4.12Š| ||
| 113 | S | 26.1 | Very low | 23.7 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -96.1 | 103.6 | 174.2 | -166.3 | 0 | 0 | 0 | 0 | 109.5 | Y111 C115 | Y111-S113 PolarHBondContact O-N 2.74Å; S113-C115 PolarHBondContact O-N 2.91Å | ||
| 114 | V | 21.3 | Very low | 23.5 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | trans | -82 | 109.2 | 172.6 | -178 | 0 | 0 | 0 | 0 | 108.1 | V112 | V112-V114 HydrophobicContact CG1-CG2 4.12Š| ||
| 115 | C | 23.7 | Very low | 23.5 | Very low | 107 Ų | 107 | 153.2 Ų | 153.2 | 72% | 0.723 | 82% | 0.818 | S | S | * | * | trans | -84.7 | 124 | 154.6 | -64 | 0 | 0 | 0 | 0 | 106.8 | S113 | S113-C115 PolarHBondContact O-N 2.91Š| ||
| 116 | S | 20 | Very low | 23.4 | Very low | 96 Ų | 96 | 155.9 Ų | 155.9 | 67% | 0.671 | 82% | 0.818 | S | S | * | * | trans | -108 | 139.8 | -178.1 | -166.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 117 | M | 25.9 | Very low | 23.5 | Very low | 261 Ų | 261 | 153.8 Ų | 153.8 | 100% | 1.286 | 81% | 0.812 | S | S | * | * | trans | 71.4 | 0 | -173 | -49 | -176.9 | -170 | 0 | 0 | 113.5 |
Retrieved 117 of 117 residues in 38.8 ms
(Link to these results)