| 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 | 56 | Low | 63.1 | Low | 174 Ų | 174 | 135.3 Ų | 135.3 | 86% | 0.857 | 67% | 0.673 | S | S | * | * | 0 | -29.1 | 0 | -73.6 | -63 | -104.3 | 0 | 0 | 112.6 | Y5 | M1-Y5 WeakPolarHBondContact O-CD2 3.38Å; M1-Y5 WeakPolarHBondContact O-CE2 3.08Å | |||
| 2 | E | 61 | Low | 62.8 | Low | 175 Ų | 175 | 134.4 Ų | 134.4 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80 | -28.9 | -172.8 | -49.5 | -177.9 | 129 | 0 | 0 | 114.1 | ||
| 3 | T | 64 | Low | 62.7 | Low | 113 Ų | 113 | 134.8 Ų | 134.8 | 69% | 0.693 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.3 | -33 | 179.8 | 20.3 | 0 | 0 | 0 | 0 | 113.7 | Y5 R6 | T3-Y5 VanDerWaalsContact C-N 3.35Å; T3-R6 PolarHBondContact O-N 3.39Å |
| 4 | L | 65.6 | Low | 62.3 | Low | 129 Ų | 129 | 133 Ų | 133 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -68.4 | -33.9 | 178.9 | -81.8 | 164.1 | 0 | 0 | 0 | 112.3 | R6 | L4-R6 PolarHBondContact O-N 3.26Å |
| 5 | Y | 63.2 | Low | 62.3 | Low | 159 Ų | 159 | 130.3 Ų | 130.3 | 62% | 0.624 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.4 | -25.2 | 175.6 | -70 | -74.3 | 0 | 0 | 0 | 112.5 | M1 T3 P8 F9 | M1-Y5 WeakPolarHBondContact O-CD2 3.38Å; M1-Y5 WeakPolarHBondContact O-CE2 3.08Å; T3-Y5 VanDerWaalsContact C-N 3.35Å; Y5-P8 WeakPolarHBondContact O-CD 3.46Å; Y5-P8 WeakPolarHBondContact O-CG 3.48Å; Y5-F9 WeakPolarHBondContact O-CD2 3.36Å; Y5-F9 WeakPolarHBondContact O-CE2 3.44Å |
| 6 | R | 64.3 | Low | 62.3 | Low | 192 Ų | 192 | 131.2 Ų | 131.2 | 73% | 0.725 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -78.1 | -21.7 | -175.6 | -147.1 | 179 | -170.3 | -143.9 | 1.4 | 113.9 | T3 L4 F9 L10 | T3-R6 PolarHBondContact O-N 3.39Å; L4-R6 PolarHBondContact O-N 3.26Å; R6-F9 PolarHBondContact O-N 3.4Å; R6-L10 PolarHBondContact O-N 3.33Å; R6-L10 VanDerWaalsContact O-N 3.09Å |
| 7 | V | 69.1 | Low | 62.3 | Low | 91 Ų | 91 | 130.5 Ų | 130.5 | 55% | 0.552 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -63.5 | -49.7 | -177.1 | -176.5 | 0 | 0 | 0 | 0 | 113.2 | F9 L10 | V7-F9 VanDerWaalsContact C-N 3.26Å; V7-F9 PolarHBondContact O-N 3Å; V7-L10 WeakPolarHBondContact O-CB 3.05Å; V7-L10 PolarHBondContact O-N 3.35Å |
| 8 | P | 66.2 | Low | 62.4 | Low | 72 Ų | 72 | 133.4 Ų | 133.4 | 47% | 0.468 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -65.4 | -28.9 | 176 | 24.3 | -33.7 | 0 | 0 | 0 | 112.7 | Y5 L10 V11 L12 | Y5-P8 WeakPolarHBondContact O-CD 3.46Å; Y5-P8 WeakPolarHBondContact O-CG 3.48Å; P8-L10 VanDerWaalsContact C-N 3.34Å; P8-V11 PolarHBondContact O-N 3.19Å; P8-L12 WeakPolarHBondContact O-CB 3.5Å; P8-L12 PolarHBondContact O-N 3.09Å |
| 9 | F | 61 | Low | 62.5 | Low | 137 Ų | 137 | 133.8 Ų | 133.8 | 60% | 0.601 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -75.8 | -17.4 | 175.6 | -67.3 | -69.8 | 0 | 0 | 0 | 114 | Y5 R6 V7 L12 E13 | Y5-F9 WeakPolarHBondContact O-CD2 3.36Å; Y5-F9 WeakPolarHBondContact O-CE2 3.44Å; R6-F9 PolarHBondContact O-N 3.4Å; V7-F9 VanDerWaalsContact C-N 3.26Å; V7-F9 PolarHBondContact O-N 3Å; F9-L12 CarbonylContact O-C 3.3Å; F9-E13 WeakPolarHBondContact O-CB 3.46Å; F9-E13 PolarHBondContact O-N 2.8Å |
| 10 | L | 60.9 | Low | 62.5 | Low | 122 Ų | 122 | 136.5 Ų | 136.5 | 64% | 0.639 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -75.1 | -32.2 | 171.4 | -155.4 | 95.7 | 0 | 0 | 0 | 111.5 | R6 V7 P8 | R6-L10 PolarHBondContact O-N 3.33Å; R6-L10 VanDerWaalsContact O-N 3.09Å; V7-L10 WeakPolarHBondContact O-CB 3.05Å; V7-L10 PolarHBondContact O-N 3.35Å; P8-L10 VanDerWaalsContact C-N 3.34Å |
| 11 | V | 62.5 | Low | 62.6 | Low | 124 Ų | 124 | 138.7 Ų | 138.7 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -80.1 | -33.3 | 174.7 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | P8 E13 | P8-V11 PolarHBondContact O-N 3.19Å; V11-E13 VanDerWaalsContact C-N 3.33Å |
| 12 | L | 59.9 | Low | 63.5 | Low | 125 Ų | 125 | 132.7 Ų | 132.7 | 65% | 0.654 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -83.5 | -2.6 | 172.1 | -100.8 | 78.8 | 0 | 0 | 0 | 113.9 | P8 F9 C14 | P8-L12 WeakPolarHBondContact O-CB 3.5Å; P8-L12 PolarHBondContact O-N 3.09Å; F9-L12 CarbonylContact O-C 3.3Å; L12-C14 VanDerWaalsContact C-N 3.28Å; L12-C14 PolarHBondContact O-N 2.91Å |
| 13 | E | 61.3 | Low | 63.8 | Low | 139 Ų | 139 | 130.5 Ų | 130.5 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -64.1 | 99.5 | 172.3 | -147.6 | -175.1 | 161 | 0 | 0 | 105.7 | F9 V11 P15 | F9-E13 WeakPolarHBondContact O-CB 3.46Å; F9-E13 PolarHBondContact O-N 2.8Å; V11-E13 VanDerWaalsContact C-N 3.33Å; E13-P15 VanDerWaalsContact O-CD 3.26Å; E13-P15 WeakPolarHBondContact O-CD 3.26Å |
| 14 | C | 57 | Low | 64.2 | Low | 110 Ų | 110 | 134.9 Ų | 134.9 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | trans | -49 | 112.4 | -177.6 | -72.7 | 0 | 0 | 0 | 0 | 106.6 | L12 N16 | L12-C14 VanDerWaalsContact C-N 3.28Å; L12-C14 PolarHBondContact O-N 2.91Å; C14-N16 PolarHBondContact O-N 2.57Å | ||
| 15 | P | 63.3 | Low | 64.5 | Low | 93 Ų | 93 | 134.8 Ų | 134.8 | 60% | 0.604 | 67% | 0.673 | S | S | * | * | trans | -53.5 | 137.6 | 178.4 | 21.3 | -31 | 0 | 0 | 0 | 105.6 | E13 L17 | E13-P15 VanDerWaalsContact O-CD 3.26Å; E13-P15 WeakPolarHBondContact O-CD 3.26Å; P15-L17 HydrophobicContact CG-CD1 4.15Å; P15-L17 HydrophobicContact CG-CG 4.29Å; P15-L17 WeakPolarHBondContact O-CG 3.5Å; P15-L17 PolarHBondContact O-N 3.23Å | ||
| 16 | N | 62.3 | Low | 65 | Low | 144 Ų | 144 | 135.6 Ų | 135.6 | 77% | 0.77 | 68% | 0.683 | S | S | * | * | trans | -61.6 | 81.2 | -179.6 | -166.3 | -15 | 0 | 0 | 0 | 108.3 | C14 K18 | C14-N16 PolarHBondContact O-N 2.57Å; N16-K18 PolarHBondContact O-N 2.82Å | ||
| 17 | L | 62.4 | Low | 65.7 | Low | 119 Ų | 119 | 134.8 Ų | 134.8 | 62% | 0.623 | 69% | 0.689 | S | S | * | * | trans | -73.3 | 84.8 | -175.2 | -92 | 150.5 | 0 | 0 | 0 | 103.7 | P15 L19 | P15-L17 HydrophobicContact CG-CD1 4.15Å; P15-L17 HydrophobicContact CG-CG 4.29Å; P15-L17 WeakPolarHBondContact O-CG 3.5Å; P15-L17 PolarHBondContact O-N 3.23Å; L17-L19 HydrophobicContact CB-CD1 4.33Å; L17-L19 HydrophobicContact CB-CG 4.26Å; L17-L19 HydrophobicContact CD2-CG 4.38Å; L17-L19 PolarHBondContact O-N 2.76Å | ||
| 18 | K | 62.8 | Low | 66.4 | Low | 183 Ų | 183 | 134.4 Ų | 134.4 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | trans | -65.5 | 70.1 | 161.8 | -67.4 | -177.2 | 178.4 | -179.5 | 0 | 106.9 | N16 K20 | N16-K18 PolarHBondContact O-N 2.82Å; K18-K20 PolarHBondContact O-N 2.71Å | ||
| 19 | L | 64 | Low | 67.4 | Low | 142 Ų | 142 | 134.4 Ų | 134.4 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | trans | -63.5 | 85.9 | 168.5 | -80.7 | 159 | 0 | 0 | 0 | 105.7 | L17 K21 | L17-L19 HydrophobicContact CB-CD1 4.33Å; L17-L19 HydrophobicContact CB-CG 4.26Å; L17-L19 HydrophobicContact CD2-CG 4.38Å; L17-L19 PolarHBondContact O-N 2.76Å; L19-K21 PolarHBondContact O-N 3.09Å; L19-K21 VanDerWaalsContact O-N 3.09Å | ||
| 20 | K | 62.9 | Low | 68.7 | Low | 187 Ų | 187 | 131.6 Ų | 131.6 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | trans | -59.3 | 115.9 | 168.9 | -170 | 172.4 | -179.3 | 179.6 | 0 | 104.9 | K18 P22 | K18-K20 PolarHBondContact O-N 2.71Å; K20-P22 VanDerWaalsContact O-N 3.15Å | ||
| 21 | K | 65.9 | Low | 70.3 | Confident | 183 Ų | 183 | 132.1 Ų | 132.1 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | trans | -48.5 | 126.7 | 175.9 | -56.8 | 178.4 | -172.3 | 175.6 | 0 | 106.7 | L19 P23 | L19-K21 PolarHBondContact O-N 3.09Å; L19-K21 VanDerWaalsContact O-N 3.09Å; K21-P23 VanDerWaalsContact O-N 3.17Å | ||
| 22 | P | 74.5 | Confident | 71.5 | Confident | 47 Ų | 47 | 129.9 Ų | 129.9 | 31% | 0.305 | 68% | 0.679 | S | S | . | * | trans | -55.5 | 127.4 | -177.7 | 16.3 | -27.5 | 0 | 0 | 0 | 109.5 | K20 W24 L25 | K20-P22 VanDerWaalsContact O-N 3.15Å; P22-W24 HydrophobicContact CB-CD2 3.71Å; P22-W24 HydrophobicContact CB-CE3 3.09Å; P22-W24 HydrophobicContact CB-CH2 3.71Å; P22-W24 HydrophobicContact CB-CZ2 4.29Å; P22-W24 HydrophobicContact CB-CZ3 3.09Å; P22-W24 HydrophobicContact CG-CD2 4.3Å; P22-W24 HydrophobicContact CG-CE3 3.95Å; P22-W24 HydrophobicContact CG-CH2 3.66Å; P22-W24 HydrophobicContact CG-CZ2 4.08Å; P22-W24 HydrophobicContact CG-CZ3 3.61Å; P22-W24 PolarHBondContact O-N 3.18Å; P22-W24 VanDerWaalsContact O-N 3.08Å; P22-L25 HydrophobicContact CG-CB 4.34Å; P22-L25 PolarHBondContact O-N 3.08Å | ||
| 23 | P | 66.7 | Low | 73.2 | Confident | 130 Ų | 130 | 127.3 Ų | 127.3 | 84% | 0.844 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -11 | -178.3 | 27.4 | -34.4 | 0 | 0 | 0 | 112.6 | K21 | K21-P23 VanDerWaalsContact O-N 3.17Š|
| 24 | W | 72.4 | Confident | 74.7 | Confident | 204 Ų | 204 | 128 Ų | 128 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -27.2 | 176.6 | 95.6 | 73.2 | 0 | 0 | 0 | 112.6 | P22 H26 | P22-W24 HydrophobicContact CB-CD2 3.71Å; P22-W24 HydrophobicContact CB-CE3 3.09Å; P22-W24 HydrophobicContact CB-CH2 3.71Å; P22-W24 HydrophobicContact CB-CZ2 4.29Å; P22-W24 HydrophobicContact CB-CZ3 3.09Å; P22-W24 HydrophobicContact CG-CD2 4.3Å; P22-W24 HydrophobicContact CG-CE3 3.95Å; P22-W24 HydrophobicContact CG-CH2 3.66Å; P22-W24 HydrophobicContact CG-CZ2 4.08Å; P22-W24 HydrophobicContact CG-CZ3 3.61Å; P22-W24 PolarHBondContact O-N 3.18Å; P22-W24 VanDerWaalsContact O-N 3.08Å; W24-H26 PolarHBondContact O-N 3.16Å; W24-H26 VanDerWaalsContact O-N 3.16Å |
| 25 | L | 71.1 | Confident | 76.5 | Confident | 127 Ų | 127 | 125 Ų | 125 | 67% | 0.665 | 65% | 0.65 | S | S | * | * | trans | -92.9 | 80.6 | -172.7 | -166.4 | 68.4 | 0 | 0 | 0 | 109.3 | P22 | P22-L25 HydrophobicContact CG-CB 4.34Å; P22-L25 PolarHBondContact O-N 3.08Å | ||
| 26 | H | 75.4 | Confident | 78 | Confident | 177 Ų | 177 | 126.1 Ų | 126.1 | 82% | 0.819 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 137.1 | 173.2 | -143.3 | 179.8 | 0 | 0 | 0 | 109.4 | W24 | W24-H26 PolarHBondContact O-N 3.16Å; W24-H26 VanDerWaalsContact O-N 3.16Å |
| 27 | M | 78.3 | Confident | 79.6 | Confident | 174 Ų | 174 | 123.4 Ų | 123.4 | 86% | 0.857 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -65 | 123.3 | 178.2 | -173.3 | 159.1 | 156.6 | 0 | 0 | 108.8 | ||
| 28 | P | 84.1 | Confident | 81.1 | Confident | 84 Ų | 84 | 121 Ų | 121 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 143.1 | -179 | 26.5 | -33.7 | 0 | 0 | 0 | 109.9 | V33 | P28-V33 HydrophobicContact CB-CG2 4.17Å; P28-V33 HydrophobicContact CG-CG2 4.03Å |
| 29 | S | 87.6 | Confident | 82.7 | Confident | 72 Ų | 72 | 116 Ų | 116 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 147.1 | 175.2 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | M31 T32 V33 | S29-M31 PolarHBondContact O-N 3.01Å; S29-M31 VanDerWaalsContact O-N 3.14Å; S29-T32 WeakPolarHBondContact O-CB 3.34Å; S29-T32 PolarHBondContact O-N 3.48Å; S29-V33 PolarHBondContact O-N 3.14Å |
| 30 | A | 88.6 | Confident | 84.1 | Confident | 77 Ų | 77 | 111.8 Ų | 111.8 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -53.2 | -35.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V33 Y34 | A30-V33 PolarHBondContact O-N 3.2Å; A30-Y34 WeakPolarHBondContact O-CB 3.49Å; A30-Y34 PolarHBondContact O-N 2.96Å |
| 31 | M | 92.6 | Very high | 85.5 | Confident | 133 Ų | 133 | 110.6 Ų | 110.6 | 66% | 0.655 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.5 | -34.8 | 177.5 | -70.8 | -66.7 | 108.7 | 0 | 0 | 113.1 | S29 Y34 A35 | S29-M31 PolarHBondContact O-N 3.01Å; S29-M31 VanDerWaalsContact O-N 3.14Å; M31-Y34 PolarHBondContact O-N 2.92Å; M31-A35 WeakPolarHBondContact O-CB 3.44Å; M31-A35 PolarHBondContact O-N 2.91Å |
| 32 | T | 89.7 | Confident | 86.6 | Confident | 77 Ų | 77 | 108.6 Ų | 108.6 | 47% | 0.472 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.8 | -41.2 | 176.6 | -51.6 | 0 | 0 | 0 | 0 | 110.9 | S29 A35 L36 | S29-T32 WeakPolarHBondContact O-CB 3.34Å; S29-T32 PolarHBondContact O-N 3.48Å; T32-A35 PolarHBondContact O-N 3.42Å; T32-L36 PolarHBondContact O-N 3.43Å |
| 33 | V | 93.7 | Very high | 87.3 | Confident | 71 Ų | 71 | 110 Ų | 110 | 43% | 0.43 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.8 | -44.6 | 175.5 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | P28 S29 A30 A35 L36 V37 | P28-V33 HydrophobicContact CB-CG2 4.17Å; P28-V33 HydrophobicContact CG-CG2 4.03Å; S29-V33 PolarHBondContact O-N 3.14Å; A30-V33 PolarHBondContact O-N 3.2Å; V33-A35 PolarHBondContact O-N 2.89Å; V33-L36 PolarHBondContact O-N 3.41Å; V33-V37 WeakPolarHBondContact O-CG2 3.2Å; V33-V37 PolarHBondContact O-N 3.34Å |
| 34 | Y | 93.8 | Very high | 88.3 | Confident | 153 Ų | 153 | 108.6 Ų | 108.6 | 60% | 0.6 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -58.7 | -47.9 | 176.5 | 178 | -105.7 | 0 | 0 | 0 | 112.3 | A30 M31 L36 V37 V38 | A30-Y34 WeakPolarHBondContact O-CB 3.49Å; A30-Y34 PolarHBondContact O-N 2.96Å; M31-Y34 PolarHBondContact O-N 2.92Å; Y34-L36 VanDerWaalsContact C-N 3.34Å; Y34-L36 PolarHBondContact O-N 3.49Å; Y34-V37 PolarHBondContact O-N 3.2Å; Y34-V38 HydrophobicContact CD1-CG2 4.43Å; Y34-V38 HydrophobicContact CD2-CG2 4.41Å; Y34-V38 HydrophobicContact CE1-CG2 3.98Å; Y34-V38 HydrophobicContact CE2-CG2 3.96Å; Y34-V38 WeakPolarHBondContact O-CG2 3.41Å; Y34-V38 PolarHBondContact O-N 3.42Å |
| 35 | A | 94.3 | Very high | 88.8 | Confident | 49 Ų | 49 | 102.9 Ų | 102.9 | 41% | 0.405 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.1 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M31 T32 V33 V37 V38 V39 | M31-A35 WeakPolarHBondContact O-CB 3.44Å; M31-A35 PolarHBondContact O-N 2.91Å; T32-A35 PolarHBondContact O-N 3.42Å; V33-A35 PolarHBondContact O-N 2.89Å; A35-V37 VanDerWaalsContact C-N 3.34Å; A35-V37 PolarHBondContact O-N 2.97Å; A35-V38 PolarHBondContact O-N 3.27Å; A35-V39 WeakPolarHBondContact O-CB 3.42Å; A35-V39 VanDerWaalsContact O-CG2 3.26Å; A35-V39 WeakPolarHBondContact O-CG2 3.3Å; A35-V39 PolarHBondContact O-N 3.02Å |
| 36 | L | 94.7 | Very high | 89.3 | Confident | 115 Ų | 115 | 99.8 Ų | 99.8 | 60% | 0.602 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.8 | -41.5 | 175.3 | -95.8 | 170.5 | 0 | 0 | 0 | 112.6 | T32 V33 Y34 S40 | T32-L36 PolarHBondContact O-N 3.43Å; V33-L36 PolarHBondContact O-N 3.41Å; Y34-L36 VanDerWaalsContact C-N 3.34Å; Y34-L36 PolarHBondContact O-N 3.49Å; L36-S40 VanDerWaalsContact O-CB 3.3Å; L36-S40 WeakPolarHBondContact O-CB 3.37Å; L36-S40 PolarHBondContact O-N 2.98Å; L36-S40 PolarHBondContact O-OG 3.48Å |
| 37 | V | 95.5 | Very high | 89.5 | Confident | 87 Ų | 87 | 92 Ų | 92 | 53% | 0.527 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | V33 Y34 A35 V39 S40 Y41 | V33-V37 WeakPolarHBondContact O-CG2 3.2Å; V33-V37 PolarHBondContact O-N 3.34Å; Y34-V37 PolarHBondContact O-N 3.2Å; A35-V37 VanDerWaalsContact C-N 3.34Å; A35-V37 PolarHBondContact O-N 2.97Å; V37-V39 PolarHBondContact O-N 3.46Å; V37-S40 WeakPolarHBondContact CA-OG 3.42Å; V37-S40 PolarHBondContact O-N 2.87Å; V37-S40 PolarHBondContact O-OG 2.92Å; V37-Y41 WeakPolarHBondContact O-CB 3.19Å; V37-Y41 PolarHBondContact O-N 3.4Å |
| 38 | V | 95 | Very high | 89.7 | Confident | 68 Ų | 68 | 87.4 Ų | 87.4 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 178.8 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | Y34 A35 Y41 F42 | Y34-V38 HydrophobicContact CD1-CG2 4.43Å; Y34-V38 HydrophobicContact CD2-CG2 4.41Å; Y34-V38 HydrophobicContact CE1-CG2 3.98Å; Y34-V38 HydrophobicContact CE2-CG2 3.96Å; Y34-V38 WeakPolarHBondContact O-CG2 3.41Å; Y34-V38 PolarHBondContact O-N 3.42Å; A35-V38 PolarHBondContact O-N 3.27Å; V38-Y41 PolarHBondContact O-N 3.12Å; V38-F42 PolarHBondContact O-N 3.44Å |
| 39 | V | 95.3 | Very high | 89.6 | Confident | 80 Ų | 80 | 87.8 Ų | 87.8 | 49% | 0.485 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 177.4 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | A35 V37 Y41 F42 L43 | A35-V39 WeakPolarHBondContact O-CB 3.42Å; A35-V39 VanDerWaalsContact O-CG2 3.26Å; A35-V39 WeakPolarHBondContact O-CG2 3.3Å; A35-V39 PolarHBondContact O-N 3.02Å; V37-V39 PolarHBondContact O-N 3.46Å; V39-Y41 VanDerWaalsContact C-N 3.32Å; V39-Y41 PolarHBondContact O-N 3.41Å; V39-F42 PolarHBondContact O-N 3.32Å; V39-L43 HydrophobicContact CG1-CD1 3.97Å; V39-L43 HydrophobicContact CG1-CG 4.28Å; V39-L43 VanDerWaalsContact O-CG 3.3Å; V39-L43 WeakPolarHBondContact O-CG 3.5Å; V39-L43 PolarHBondContact O-N 2.94Å |
| 40 | S | 94.4 | Very high | 88.9 | Confident | 53 Ų | 53 | 91.7 Ų | 91.7 | 37% | 0.371 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 178.1 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | L36 V37 L43 I44 | L36-S40 VanDerWaalsContact O-CB 3.3Å; L36-S40 WeakPolarHBondContact O-CB 3.37Å; L36-S40 PolarHBondContact O-N 2.98Å; L36-S40 PolarHBondContact O-OG 3.48Å; V37-S40 WeakPolarHBondContact CA-OG 3.42Å; V37-S40 PolarHBondContact O-N 2.87Å; V37-S40 PolarHBondContact O-OG 2.92Å; S40-L43 PolarHBondContact O-N 3.48Å; S40-I44 WeakPolarHBondContact O-CB 3.3Å; S40-I44 WeakPolarHBondContact O-CD1 3.41Å; S40-I44 WeakPolarHBondContact O-CG1 3.44Å; S40-I44 PolarHBondContact O-N 3.36Å |
| 41 | Y | 92.1 | Very high | 88.1 | Confident | 161 Ų | 161 | 91.4 Ų | 91.4 | 63% | 0.631 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58 | -51.3 | 173.1 | 179.4 | -101.8 | 0 | 0 | 0 | 111.3 | V37 V38 V39 L43 I44 T45 | V37-Y41 WeakPolarHBondContact O-CB 3.19Å; V37-Y41 PolarHBondContact O-N 3.4Å; V38-Y41 PolarHBondContact O-N 3.12Å; V39-Y41 VanDerWaalsContact C-N 3.32Å; V39-Y41 PolarHBondContact O-N 3.41Å; Y41-L43 VanDerWaalsContact C-N 3.34Å; Y41-L43 PolarHBondContact O-N 3.17Å; Y41-I44 PolarHBondContact O-N 2.75Å; Y41-T45 HydrophobicContact CD1-CG2 4.46Å; Y41-T45 HydrophobicContact CD2-CG2 4.19Å; Y41-T45 HydrophobicContact CE1-CG2 4.07Å; Y41-T45 HydrophobicContact CE2-CG2 3.78Å; Y41-T45 WeakPolarHBondContact O-CG2 3.26Å; Y41-T45 PolarHBondContact O-N 3.49Å; Y41-T45 PolarHBondContact O-OG1 3.37Å |
| 42 | F | 89.8 | Confident | 87.4 | Confident | 142 Ų | 142 | 90.6 Ų | 90.6 | 62% | 0.623 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -56.3 | -46.7 | 177.6 | 178.7 | -99.6 | 0 | 0 | 0 | 112.1 | V38 V39 T45 G46 | V38-F42 PolarHBondContact O-N 3.44Å; V39-F42 PolarHBondContact O-N 3.32Å; F42-T45 PolarHBondContact O-N 2.93Å; F42-T45 PolarHBondContact O-OG1 2.93Å; F42-T45 VanDerWaalsContact O-OG1 3.06Å; F42-G46 WeakPolarHBondContact O-CA 3.46Å; F42-G46 PolarHBondContact O-N 3.23Å |
| 43 | L | 88.1 | Confident | 86.7 | Confident | 75 Ų | 75 | 93 Ų | 93 | 39% | 0.393 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | -179 | -69.7 | -178.7 | 0 | 0 | 0 | 113.1 | V39 S40 Y41 G46 G47 I48 | V39-L43 HydrophobicContact CG1-CD1 3.97Å; V39-L43 HydrophobicContact CG1-CG 4.28Å; V39-L43 VanDerWaalsContact O-CG 3.3Å; V39-L43 WeakPolarHBondContact O-CG 3.5Å; V39-L43 PolarHBondContact O-N 2.94Å; S40-L43 PolarHBondContact O-N 3.48Å; Y41-L43 VanDerWaalsContact C-N 3.34Å; Y41-L43 PolarHBondContact O-N 3.17Å; L43-G46 PolarHBondContact O-N 3.27Å; L43-G47 PolarHBondContact O-N 3.45Å; L43-I48 HydrophobicContact CB-CD1 3.89Å; L43-I48 HydrophobicContact CB-CG1 4.38Å; L43-I48 HydrophobicContact CD1-CD1 4.24Å; L43-I48 HydrophobicContact CD2-CD1 3.91Å; L43-I48 HydrophobicContact CG-CD1 4.21Å; L43-I48 WeakPolarHBondContact O-CB 3.44Å; L43-I48 PolarHBondContact O-N 3.48Å |
| 44 | I | 87.7 | Confident | 85.3 | Confident | 102 Ų | 102 | 93 Ų | 93 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.6 | -48.1 | 177.6 | -66.9 | 165 | 0 | 0 | 0 | 109.9 | S40 Y41 G46 G47 I49 | S40-I44 WeakPolarHBondContact O-CB 3.3Å; S40-I44 WeakPolarHBondContact O-CD1 3.41Å; S40-I44 WeakPolarHBondContact O-CG1 3.44Å; S40-I44 PolarHBondContact O-N 3.36Å; Y41-I44 PolarHBondContact O-N 2.75Å; I44-G46 VanDerWaalsContact C-N 3.29Å; I44-G46 PolarHBondContact O-N 3.06Å; I44-G47 PolarHBondContact O-N 2.93Å; I44-I49 HydrophobicContact CG2-CD1 4.17Å |
| 45 | T | 84.5 | Confident | 83.7 | Confident | 84 Ų | 84 | 93.2 Ų | 93.2 | 52% | 0.515 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.5 | -29.9 | 177 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | Y41 F42 G47 | Y41-T45 HydrophobicContact CD1-CG2 4.46Å; Y41-T45 HydrophobicContact CD2-CG2 4.19Å; Y41-T45 HydrophobicContact CE1-CG2 4.07Å; Y41-T45 HydrophobicContact CE2-CG2 3.78Å; Y41-T45 WeakPolarHBondContact O-CG2 3.26Å; Y41-T45 PolarHBondContact O-N 3.49Å; Y41-T45 PolarHBondContact O-OG1 3.37Å; F42-T45 PolarHBondContact O-N 2.93Å; F42-T45 PolarHBondContact O-OG1 2.93Å; F42-T45 VanDerWaalsContact O-OG1 3.06Å; T45-G47 PolarHBondContact O-N 2.99Å |
| 46 | G | 80.8 | Confident | 81.9 | Confident | 61 Ų | 61 | 94.2 Ų | 94.2 | 63% | 0.629 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -3.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F42 L43 I44 | F42-G46 WeakPolarHBondContact O-CA 3.46Å; F42-G46 PolarHBondContact O-N 3.23Å; L43-G46 PolarHBondContact O-N 3.27Å; I44-G46 VanDerWaalsContact C-N 3.29Å; I44-G46 PolarHBondContact O-N 3.06Å |
| 47 | G | 80 | Confident | 80 | Confident | 13 Ų | 13 | 93.1 Ų | 93.1 | 13% | 0.134 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 26 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L43 I44 T45 I49 Y50 D51 | L43-G47 PolarHBondContact O-N 3.45Å; I44-G47 PolarHBondContact O-N 2.93Å; T45-G47 PolarHBondContact O-N 2.99Å; G47-I49 PolarHBondContact O-N 2.91Å; G47-I49 VanDerWaalsContact O-N 3.12Å; G47-Y50 CarbonylContact O-C 3.53Å; G47-Y50 WeakPolarHBondContact O-CA 3.43Å; G47-Y50 WeakPolarHBondContact O-CB 3.44Å; G47-Y50 PolarHBondContact O-N 3.49Å; G47-D51 PolarHBondContact O-N 2.9Å |
| 48 | I | 82.3 | Confident | 78 | Confident | 78 Ų | 78 | 94 Ų | 94 | 40% | 0.4 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -51.2 | -34.9 | 169.6 | -80.1 | -161.5 | 0 | 0 | 0 | 111.5 | L43 Y50 D51 V52 | L43-I48 HydrophobicContact CB-CD1 3.89Å; L43-I48 HydrophobicContact CB-CG1 4.38Å; L43-I48 HydrophobicContact CD1-CD1 4.24Å; L43-I48 HydrophobicContact CD2-CD1 3.91Å; L43-I48 HydrophobicContact CG-CD1 4.21Å; L43-I48 WeakPolarHBondContact O-CB 3.44Å; L43-I48 PolarHBondContact O-N 3.48Å; I48-Y50 VanDerWaalsContact C-N 3.31Å; I48-Y50 PolarHBondContact O-N 3.07Å; I48-D51 WeakPolarHBondContact O-CB 3.36Å; I48-D51 PolarHBondContact O-N 2.89Å; I48-V52 HydrophobicContact CG2-CG2 4.25Å; I48-V52 WeakPolarHBondContact O-CB 3.3Å; I48-V52 VanDerWaalsContact O-CG2 3.27Å; I48-V52 WeakPolarHBondContact O-CG2 3.33Å; I48-V52 PolarHBondContact O-N 2.83Å |
| 49 | I | 81.8 | Confident | 76 | Confident | 92 Ų | 92 | 95.1 Ų | 95.1 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 176.8 | -60.3 | 174 | 0 | 0 | 0 | 110.8 | I44 G47 I53 | I44-I49 HydrophobicContact CG2-CD1 4.17Å; G47-I49 PolarHBondContact O-N 2.91Å; G47-I49 VanDerWaalsContact O-N 3.12Å; I49-I53 HydrophobicContact CG2-CD1 3.66Å; I49-I53 WeakPolarHBondContact O-CB 3.39Å; I49-I53 WeakPolarHBondContact O-CD1 3.46Å; I49-I53 WeakPolarHBondContact O-CG1 3.27Å; I49-I53 PolarHBondContact O-N 3.29Å |
| 50 | Y | 72.9 | Confident | 74 | Confident | 155 Ų | 155 | 93.2 Ų | 93.2 | 61% | 0.608 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73.7 | -34.4 | 175.6 | -63.2 | -70.4 | 0 | 0 | 0 | 111.9 | G47 I48 I53 V54 | G47-Y50 CarbonylContact O-C 3.53Å; G47-Y50 WeakPolarHBondContact O-CA 3.43Å; G47-Y50 WeakPolarHBondContact O-CB 3.44Å; G47-Y50 PolarHBondContact O-N 3.49Å; I48-Y50 VanDerWaalsContact C-N 3.31Å; I48-Y50 PolarHBondContact O-N 3.07Å; Y50-I53 PolarHBondContact O-N 2.86Å; Y50-V54 HydrophobicContact CD1-CG2 4.41Å; Y50-V54 VanDerWaalsContact O-CB 3.3Å; Y50-V54 WeakPolarHBondContact O-CB 3.43Å; Y50-V54 WeakPolarHBondContact O-CG2 3.43Å; Y50-V54 PolarHBondContact O-N 3.46Å |
| 51 | D | 72.5 | Confident | 72.1 | Confident | 71 Ų | 71 | 93.6 Ų | 93.6 | 38% | 0.38 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 173.5 | -170.2 | 43 | 0 | 0 | 0 | 111.5 | G47 I48 E55 P56 | G47-D51 PolarHBondContact O-N 2.9Å; I48-D51 WeakPolarHBondContact O-CB 3.36Å; I48-D51 PolarHBondContact O-N 2.89Å; D51-E55 CarbonylContact O-C 3.59Å; D51-E55 VanDerWaalsContact O-C 3.3Å; D51-E55 WeakPolarHBondContact O-CA 3.15Å; D51-E55 PolarHBondContact O-N 3.17Å; D51-P56 WeakPolarHBondContact OD1-CA 3.44Å; D51-P56 WeakPolarHBondContact OD1-CB 3.08Å; D51-P56 WeakPolarHBondContact OD1-CD 2.99Å |
| 52 | V | 75.9 | Confident | 70.3 | Confident | 115 Ų | 115 | 91.2 Ų | 91.2 | 70% | 0.697 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.6 | -39.3 | 178.7 | 171.4 | 0 | 0 | 0 | 0 | 112.4 | I48 | I48-V52 HydrophobicContact CG2-CG2 4.25Å; I48-V52 WeakPolarHBondContact O-CB 3.3Å; I48-V52 VanDerWaalsContact O-CG2 3.27Å; I48-V52 WeakPolarHBondContact O-CG2 3.33Å; I48-V52 PolarHBondContact O-N 2.83Å |
| 53 | I | 75.9 | Confident | 68.8 | Low | 128 Ų | 128 | 89 Ų | 89 | 66% | 0.656 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -83.1 | -37.5 | -174.2 | -67.1 | 171.3 | 0 | 0 | 0 | 112.1 | I49 Y50 | I49-I53 HydrophobicContact CG2-CD1 3.66Å; I49-I53 WeakPolarHBondContact O-CB 3.39Å; I49-I53 WeakPolarHBondContact O-CD1 3.46Å; I49-I53 WeakPolarHBondContact O-CG1 3.27Å; I49-I53 PolarHBondContact O-N 3.29Å; Y50-I53 PolarHBondContact O-N 2.86Å |
| 54 | V | 65.4 | Low | 67.4 | Low | 71 Ų | 71 | 88.4 Ų | 88.4 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -108.6 | 8.5 | -164.7 | -148.1 | 0 | 0 | 0 | 0 | 112.1 | Y50 | Y50-V54 HydrophobicContact CD1-CG2 4.41Å; Y50-V54 VanDerWaalsContact O-CB 3.3Å; Y50-V54 WeakPolarHBondContact O-CB 3.43Å; Y50-V54 WeakPolarHBondContact O-CG2 3.43Å; Y50-V54 PolarHBondContact O-N 3.46Å |
| 55 | E | 58.8 | Low | 66.3 | Low | 158 Ų | 158 | 92.8 Ų | 92.8 | 74% | 0.738 | 53% | 0.534 | S | S | * | . | trans | 53.9 | 153.9 | -154.3 | -101.3 | 170.8 | 126.1 | 0 | 0 | 110.6 | D51 P57 | D51-E55 CarbonylContact O-C 3.59Å; D51-E55 VanDerWaalsContact O-C 3.3Å; D51-E55 WeakPolarHBondContact O-CA 3.15Å; D51-E55 PolarHBondContact O-N 3.17Å; E55-P57 VanDerWaalsContact O-N 3.09Å | ||
| 56 | P | 56.1 | Low | 65.3 | Low | 70 Ų | 70 | 96.1 Ų | 96.1 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -47.6 | 128.4 | 173 | 13.1 | -26.5 | 0 | 0 | 0 | 107.6 | D51 S58 | D51-P56 WeakPolarHBondContact OD1-CA 3.44Å; D51-P56 WeakPolarHBondContact OD1-CB 3.08Å; D51-P56 WeakPolarHBondContact OD1-CD 2.99Å; P56-S58 PolarHBondContact O-N 3.09Å |
| 57 | P | 56 | Low | 64.4 | Low | 91 Ų | 91 | 95.6 Ų | 95.6 | 59% | 0.591 | 54% | 0.538 | S | S | * | . | trans | -56.5 | 98.4 | 176 | 22.9 | -31.3 | 0 | 0 | 0 | 106 | E55 V59 | E55-P57 VanDerWaalsContact O-N 3.09Å; P57-V59 VanDerWaalsContact C-N 3.28Å; P57-V59 PolarHBondContact O-N 3.42Å | ||
| 58 | S | 53.1 | Low | 63.6 | Low | 107 Ų | 107 | 101.3 Ų | 101.3 | 75% | 0.748 | 56% | 0.561 | S | S | * | * | trans | -64.5 | 104 | 174.3 | -74 | 0 | 0 | 0 | 0 | 102.3 | P56 G60 | P56-S58 PolarHBondContact O-N 3.09Å; S58-G60 WeakPolarHBondContact O-CA 3.23Å; S58-G60 PolarHBondContact O-N 2.61Å | ||
| 59 | V | 52.4 | Low | 62.3 | Low | 91 Ų | 91 | 104.1 Ų | 104.1 | 55% | 0.552 | 57% | 0.573 | S | S | * | * | trans | -20.3 | 97.9 | -179.5 | 174.8 | 0 | 0 | 0 | 0 | 109.7 | P57 S61 P71 | P57-V59 VanDerWaalsContact C-N 3.28Å; P57-V59 PolarHBondContact O-N 3.42Å; V59-S61 PolarHBondContact O-N 2.86Å; V59-P71 VanDerWaalsContact CG1-CA 3.46Å; V59-P71 HydrophobicContact CG1-CB 3.05Å | ||
| 60 | G | 53.7 | Low | 61.2 | Low | 40 Ų | 40 | 107.5 Ų | 107.5 | 41% | 0.412 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.6 | 131.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | S58 V72 | S58-G60 WeakPolarHBondContact O-CA 3.23Å; S58-G60 PolarHBondContact O-N 2.61Å; G60-V72 PolarHBondContact N-O 2.98Å; G60-V72 PolarHBondContact O-N 3.5Å |
| 61 | S | 54.3 | Low | 60.3 | Low | 61 Ų | 61 | 104.9 Ų | 104.9 | 43% | 0.427 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.3 | 113.6 | 171.3 | 47.4 | 0 | 0 | 0 | 0 | 109.1 | V59 Q69 R70 | V59-S61 PolarHBondContact O-N 2.86Å; S61-Q69 PolarHBondContact OG-OE1 2.81Å; S61-R70 WeakPolarHBondContact CA-O 3.45Å |
| 62 | M | 54.7 | Low | 59.5 | Low | 111 Ų | 111 | 104.3 Ų | 104.3 | 55% | 0.547 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.2 | 126.7 | 161.3 | -78.3 | -76.2 | -145.8 | 0 | 0 | 107.2 | D64 R70 V72 Y77 | M62-D64 PolarHBondContact O-N 2.86Å; M62-R70 PolarHBondContact N-O 3.45Å; M62-R70 PolarHBondContact O-N 2.94Å; M62-V72 HydrophobicContact CB-CG2 3.96Å; M62-V72 HydrophobicContact CG-CG2 3.79Å; M62-Y77 HydrophobicContact CE-CE2 4Å |
| 63 | T | 57.3 | Low | 58.5 | Low | 95 Ų | 95 | 102.4 Ų | 102.4 | 58% | 0.583 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77 | 119.3 | 172.9 | -46.5 | 0 | 0 | 0 | 0 | 108.5 | G67 | T63-G67 VanDerWaalsContact CG2-CA 3.45Å |
| 64 | D | 59.4 | Low | 57.6 | Low | 63 Ų | 63 | 104.5 Ų | 104.5 | 34% | 0.337 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 162.3 | 170.4 | -157 | -18.3 | 0 | 0 | 0 | 109.9 | M62 H66 G67 H68 R70 | M62-D64 PolarHBondContact O-N 2.86Å; D64-H66 PolarHBondContact O-N 3.17Å; D64-G67 PolarHBondContact O-N 3.21Å; D64-H68 PolarHBondContact N-O 3.33Å; D64-R70 IonicContact OD2-NE 3.6Å; D64-R70 IonicContact OD2-NH2 3.6Å |
| 65 | E | 64.1 | Low | 57.2 | Low | 193 Ų | 193 | 107.3 Ų | 107.3 | 90% | 0.902 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -16.8 | 176.5 | -83.8 | -174.4 | 105.4 | 0 | 0 | 112.9 | ||
| 66 | H | 63.8 | Low | 57 | Low | 155 Ų | 155 | 103.3 Ų | 103.3 | 72% | 0.718 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 11.7 | 177.7 | -69 | 78.5 | 0 | 0 | 0 | 114.5 | D64 H68 | D64-H66 PolarHBondContact O-N 3.17Å; H66-H68 VanDerWaalsContact C-N 3.33Å; H66-H68 PolarHBondContact O-N 3.33Å |
| 67 | G | 61.6 | Low | 56.9 | Low | 50 Ų | 50 | 108.9 Ų | 108.9 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | S | Bend | trans | 84.1 | -1.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | T63 D64 | T63-G67 VanDerWaalsContact CG2-CA 3.45Å; D64-G67 PolarHBondContact O-N 3.21Å |
| 68 | H | 64.6 | Low | 56.9 | Low | 132 Ų | 132 | 112.3 Ų | 112.3 | 61% | 0.611 | 60% | 0.601 | S | S | * | * | trans | -81.8 | 128.5 | 179.7 | -66 | 126.8 | 0 | 0 | 0 | 111.6 | D64 H66 R70 | D64-H68 PolarHBondContact N-O 3.33Å; H66-H68 VanDerWaalsContact C-N 3.33Å; H66-H68 PolarHBondContact O-N 3.33Å; H68-R70 PolarHBondContact O-N 3.48Å | ||
| 69 | Q | 54.3 | Low | 56.7 | Low | 138 Ų | 138 | 110 Ų | 110 | 65% | 0.645 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.4 | 110.2 | 175.8 | -73.3 | -171.5 | 16.1 | 0 | 0 | 109.8 | S61 | S61-Q69 PolarHBondContact OG-OE1 2.81Å |
| 70 | R | 57.8 | Low | 56.4 | Low | 162 Ų | 162 | 115.7 Ų | 115.7 | 61% | 0.611 | 61% | 0.607 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96 | 129.9 | 171.2 | -64.9 | -151.8 | -170.4 | -153.5 | 4.6 | 110.5 | S61 M62 D64 H68 V72 | S61-R70 WeakPolarHBondContact CA-O 3.45Å; M62-R70 PolarHBondContact N-O 3.45Å; M62-R70 PolarHBondContact O-N 2.94Å; D64-R70 IonicContact OD2-NE 3.6Å; D64-R70 IonicContact OD2-NH2 3.6Å; H68-R70 PolarHBondContact O-N 3.48Å; R70-V72 PolarHBondContact O-N 2.98Å |
| 71 | P | 53.6 | Low | 55.9 | Low | 101 Ų | 101 | 121.6 Ų | 121.6 | 66% | 0.656 | 63% | 0.629 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.9 | 121.4 | 176.3 | 26.1 | -32 | 0 | 0 | 0 | 110.4 | V59 | V59-P71 VanDerWaalsContact CG1-CA 3.46Å; V59-P71 HydrophobicContact CG1-CB 3.05Å |
| 72 | V | 56.7 | Low | 55.4 | Low | 59 Ų | 59 | 127.5 Ų | 127.5 | 36% | 0.358 | 65% | 0.652 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.2 | 113.6 | 174.1 | -170.1 | 0 | 0 | 0 | 0 | 108.6 | G60 M62 R70 F74 | G60-V72 PolarHBondContact N-O 2.98Å; G60-V72 PolarHBondContact O-N 3.5Å; M62-V72 HydrophobicContact CB-CG2 3.96Å; M62-V72 HydrophobicContact CG-CG2 3.79Å; R70-V72 PolarHBondContact O-N 2.98Å; V72-F74 VanDerWaalsContact C-N 3.31Å; V72-F74 VanDerWaalsContact CG1-O 3.23Å; V72-F74 WeakPolarHBondContact CG1-O 3.46Å; V72-F74 PolarHBondContact O-N 3.35Å |
| 73 | A | 55 | Low | 54.6 | Low | 74 Ų | 74 | 129.2 Ų | 129.2 | 61% | 0.612 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -77.5 | -13.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 74 | F | 55.9 | Low | 54.4 | Low | 173 Ų | 173 | 130.9 Ų | 130.9 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -136.4 | 121.9 | -177.9 | -65.2 | -80 | 0 | 0 | 0 | 111.6 | V72 A76 | V72-F74 VanDerWaalsContact C-N 3.31Å; V72-F74 VanDerWaalsContact CG1-O 3.23Å; V72-F74 WeakPolarHBondContact CG1-O 3.46Å; V72-F74 PolarHBondContact O-N 3.35Å; F74-A76 PolarHBondContact O-N 3.39Å |
| 75 | L | 57.7 | Low | 54.2 | Low | 130 Ų | 130 | 134.5 Ų | 134.5 | 68% | 0.681 | 72% | 0.723 | S | S | * | * | trans | -68.2 | 94.5 | 171.6 | -86.6 | 142.8 | 0 | 0 | 0 | 109.8 | Y77 | L75-Y77 PolarHBondContact O-N 2.87Å; L75-Y77 VanDerWaalsContact O-N 3.09Å | ||
| 76 | A | 54.2 | Low | 53.6 | Low | 74 Ų | 74 | 131.2 Ų | 131.2 | 61% | 0.612 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -20.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | F74 | F74-A76 PolarHBondContact O-N 3.39Š|
| 77 | Y | 54.9 | Low | 53 | Low | 186 Ų | 186 | 129.8 Ų | 129.8 | 73% | 0.729 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 3.9 | -169.8 | -62.7 | -75.7 | 0 | 0 | 0 | 115.4 | M62 L75 | M62-Y77 HydrophobicContact CE-CE2 4Å; L75-Y77 PolarHBondContact O-N 2.87Å; L75-Y77 VanDerWaalsContact O-N 3.09Å |
| 78 | R | 56 | Low | 52.5 | Low | 163 Ų | 163 | 134.8 Ų | 134.8 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -98.1 | -1.3 | -176.8 | -122.8 | 162.3 | 87.1 | 142 | -1.7 | 115.5 | ||
| 79 | G | 49.6 | Very low | 51.7 | Low | 58 Ų | 58 | 135 Ų | 135 | 60% | 0.598 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -95 | -5.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | L81 | G79-L81 PolarHBondContact O-N 2.88Š|
| 80 | Y | 44.8 | Very low | 51.5 | Low | 211 Ų | 211 | 134.8 Ų | 134.8 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 0.3 | -172.4 | -88 | -86.7 | 0 | 0 | 0 | 115.7 | ||
| 81 | L | 43.3 | Very low | 51 | Low | 164 Ų | 164 | 132.7 Ų | 132.7 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 9.2 | -177.4 | -99.7 | 155.6 | 0 | 0 | 0 | 114.2 | G79 | G79-L81 PolarHBondContact O-N 2.88Š|
| 82 | M | 43.6 | Very low | 50.8 | Low | 185 Ų | 185 | 135.3 Ų | 135.3 | 91% | 0.911 | 76% | 0.756 | S | S | * | * | trans | -128.5 | 46.9 | 179.8 | -66.5 | -70.7 | -179.3 | 0 | 0 | 111.1 | ||||
| 83 | G | 37.5 | Very low | 50.2 | Low | 147 Ų | 147 | 142.3 Ų | 142.3 | 100% | 1.515 | 79% | 0.793 | S | S | * | * | trans | -131.1 | 0 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 |
Retrieved 83 of 83 residues in 51.3 ms
(Link to these results)