| 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 | 46.1 | Very low | 55.2 | Low | 231 Ų | 231 | 152 Ų | 152 | 100% | 1.138 | 80% | 0.797 | S | S | * | * | 0 | 94.8 | 0 | -57.7 | -92.8 | 91.7 | 0 | 0 | 105.3 | P3 | M1-P3 WeakPolarHBondContact O-CD 3.02Š| |||
| 2 | D | 56.4 | Low | 55.7 | Low | 146 Ų | 146 | 153.7 Ų | 153.7 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | -86.9 | 117.6 | 169.6 | -167.7 | -78.5 | 0 | 0 | 0 | 107.7 | N4 | D2-N4 PolarHBondContact O-N 3.37Å; D2-N4 PolarHBondContact OD1-N 2.03Å | ||
| 3 | P | 60.1 | Low | 55.7 | Low | 114 Ų | 114 | 150.2 Ų | 150.2 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | trans | -91.3 | 27.4 | -166.5 | 35.3 | -35.7 | 0 | 0 | 0 | 114.5 | M1 | M1-P3 WeakPolarHBondContact O-CD 3.02Š| ||
| 4 | N | 51.2 | Low | 55.2 | Low | 118 Ų | 118 | 154.8 Ų | 154.8 | 63% | 0.631 | 80% | 0.797 | S | S | * | * | trans | -135.3 | 114.2 | 175.8 | -92.9 | -84.1 | 0 | 0 | 0 | 114.7 | D2 | D2-N4 PolarHBondContact O-N 3.37Å; D2-N4 PolarHBondContact OD1-N 2.03Å | ||
| 5 | K | 53.2 | Low | 55.4 | Low | 173 Ų | 173 | 148.2 Ų | 148.2 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | 85 | 95.6 | 166.2 | -45.7 | -171.4 | -153.7 | -59.6 | 0 | 112.2 | L7 | K5-L7 PolarHBondContact O-N 2.99Š| ||
| 6 | L | 54 | Low | 55.8 | Low | 176 Ų | 176 | 144.5 Ų | 144.5 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | 37.4 | 47.5 | 53.8 | -133.1 | 133 | 0 | 0 | 0 | 110.4 | A8 | L6-A8 VanDerWaalsContact C-N 3.28Å; L6-A8 PolarHBondContact O-N 2.72Å | |||
| 7 | L | 59.2 | Low | 55.9 | Low | 146 Ų | 146 | 142.4 Ų | 142.4 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -60.7 | 99 | 163.2 | -171.2 | 76.5 | 0 | 0 | 0 | 105.3 | K5 E9 | K5-L7 PolarHBondContact O-N 2.99Å; L7-E9 VanDerWaalsContact C-N 3.29Å; L7-E9 PolarHBondContact O-N 3.25Å | ||
| 8 | A | 56.5 | Low | 56.2 | Low | 81 Ų | 81 | 140.4 Ų | 140.4 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | trans | -57.8 | 97.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | L6 R10 | L6-A8 VanDerWaalsContact C-N 3.28Å; L6-A8 PolarHBondContact O-N 2.72Å; A8-R10 PolarHBondContact O-N 2.81Å | ||
| 9 | E | 55.3 | Low | 56.5 | Low | 181 Ų | 181 | 144.7 Ų | 144.7 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -64.2 | 66 | 155.2 | -67.7 | 156.5 | 78.7 | 0 | 0 | 107.3 | L7 A11 | L7-E9 VanDerWaalsContact C-N 3.29Å; L7-E9 PolarHBondContact O-N 3.25Å; E9-A11 PolarHBondContact O-N 3.21Å | ||
| 10 | R | 58.6 | Low | 56.8 | Low | 223 Ų | 223 | 143.5 Ų | 143.5 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -69.7 | 80.4 | 160.9 | -175.4 | 72.4 | 166.8 | -173 | -1.9 | 104.7 | A8 K12 | A8-R10 PolarHBondContact O-N 2.81Å; R10-K12 VanDerWaalsContact C-N 3.3Å; R10-K12 PolarHBondContact O-N 3.32Å | ||
| 11 | A | 56.5 | Low | 56.9 | Low | 83 Ų | 83 | 145.7 Ų | 145.7 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | trans | -47 | 102.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | E9 P13 | E9-A11 PolarHBondContact O-N 3.21Å; A11-P13 WeakPolarHBondContact O-CD 2.77Å | ||
| 12 | K | 61.1 | Low | 57.4 | Low | 172 Ų | 172 | 141 Ų | 141 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -64.3 | 118.7 | 163.2 | -171.5 | 76.9 | 170.4 | -151.6 | 0 | 103.8 | R10 F14 | R10-K12 VanDerWaalsContact C-N 3.3Å; R10-K12 PolarHBondContact O-N 3.32Å; K12-F14 PolarHBondContact O-N 3.21Å | ||
| 13 | P | 56.1 | Low | 57.6 | Low | 109 Ų | 109 | 141.2 Ų | 141.2 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | -63.1 | 116.3 | 178.5 | 25.3 | -31.1 | 0 | 0 | 0 | 106.5 | A11 G15 | A11-P13 WeakPolarHBondContact O-CD 2.77Å; P13-G15 PolarHBondContact O-N 3.04Å | ||
| 14 | F | 49 | Very low | 57.4 | Low | 214 Ų | 214 | 137 Ų | 137 | 94% | 0.939 | 73% | 0.732 | S | S | * | * | trans | -68.7 | 61 | 163.4 | -85.1 | -89.9 | 0 | 0 | 0 | 108.3 | K12 A16 | K12-F14 PolarHBondContact O-N 3.21Å; F14-A16 PolarHBondContact O-N 3.07Å | ||
| 15 | G | 57.7 | Low | 57.8 | Low | 56 Ų | 56 | 139.9 Ų | 139.9 | 58% | 0.577 | 74% | 0.742 | S | S | * | * | trans | -71.9 | 103 | 156.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | P13 S17 | P13-G15 PolarHBondContact O-N 3.04Å; G15-S17 PolarHBondContact O-N 3.26Å | ||
| 16 | A | 62.3 | Low | 58.1 | Low | 89 Ų | 89 | 133.2 Ų | 133.2 | 74% | 0.736 | 72% | 0.716 | S | S | * | * | trans | -59.1 | 70.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | F14 S18 | F14-A16 PolarHBondContact O-N 3.07Å; A16-S18 PolarHBondContact O-N 3.3Å | ||
| 17 | S | 57.5 | Low | 58.6 | Low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | trans | -77.7 | 78.1 | 163 | -63.6 | 0 | 0 | 0 | 0 | 107.4 | G15 R19 | G15-S17 PolarHBondContact O-N 3.26Å; S17-R19 PolarHBondContact O-N 3.11Å | ||
| 18 | S | 61.6 | Low | 58.6 | Low | 107 Ų | 107 | 129.1 Ų | 129.1 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | -53.1 | 84.8 | 162.4 | -54.5 | 0 | 0 | 0 | 0 | 107.4 | A16 | A16-S18 PolarHBondContact O-N 3.3Š| ||
| 19 | R | 61.4 | Low | 58.7 | Low | 221 Ų | 221 | 128.2 Ų | 128.2 | 83% | 0.834 | 69% | 0.687 | S | S | * | * | trans | -50.6 | 129.6 | 160.9 | -74.5 | -174 | -76.4 | -127.4 | 1.7 | 104.5 | S17 K21 | S17-R19 PolarHBondContact O-N 3.11Å; R19-K21 PolarHBondContact O-N 3.19Å | ||
| 20 | P | 61.8 | Low | 59.1 | Low | 121 Ų | 121 | 125.4 Ų | 125.4 | 79% | 0.786 | 68% | 0.678 | S | S | * | * | trans | -46.9 | 124 | 170.5 | -19.9 | 29.1 | 0 | 0 | 0 | 105.5 | M22 | P20-M22 VanDerWaalsContact C-N 3.31Å; P20-M22 PolarHBondContact O-N 3.47Å | ||
| 21 | K | 60 | Low | 59.4 | Low | 189 Ų | 189 | 116.1 Ų | 116.1 | 82% | 0.822 | 65% | 0.645 | S | S | * | * | trans | -51.1 | 111.3 | 166.9 | -71.6 | 179.1 | 173.6 | 125.3 | 0 | 103.4 | R19 I23 | R19-K21 PolarHBondContact O-N 3.19Å; K21-I23 PolarHBondContact O-N 3.39Å | ||
| 22 | M | 55.3 | Low | 59.8 | Low | 134 Ų | 134 | 118.4 Ų | 118.4 | 66% | 0.66 | 65% | 0.646 | S | S | * | * | trans | -52.6 | 121.9 | 165.7 | -100.9 | -170.6 | -170.5 | 0 | 0 | 103 | P20 C24 C64 | P20-M22 VanDerWaalsContact C-N 3.31Å; P20-M22 PolarHBondContact O-N 3.47Å; M22-C24 PolarHBondContact O-N 3.2Å; M22-C64 HydrophobicContact CB-CB 4.49Å; M22-C64 HydrophobicContact SD-CB 3.6Å; M22-C64 VanDerWaalsContact SD-CB 3.6Å | ||
| 23 | I | 60.5 | Low | 60.4 | Low | 150 Ų | 150 | 113.2 Ų | 113.2 | 77% | 0.769 | 63% | 0.626 | S | S | * | * | trans | -70.2 | 77.5 | 170.2 | -56.2 | -70.2 | 0 | 0 | 0 | 103.5 | K21 Q25 | K21-I23 PolarHBondContact O-N 3.39Å; I23-Q25 PolarHBondContact O-N 2.76Å | ||
| 24 | C | 56.1 | Low | 61.8 | Low | 24 Ų | 24 | 112.7 Ų | 112.7 | 16% | 0.162 | 63% | 0.625 | C | S | . | * | trans | -73 | 128 | 175.1 | -169.4 | 0 | 0 | 0 | 0 | 106.7 | M22 C26 C63 C64 | M22-C24 PolarHBondContact O-N 3.2Å; C24-C26 PolarHBondContact O-N 2.73Å; C24-C26 PolarHBondContact SG-SG 2.92Å; C24-C63 PolarHBondContact SG-SG 2.89Å; C24-C64 VanDerWaalsContact CB-C 3.48Å; C24-C64 HydrophobicContact CB-CB 4.36Å; C24-C64 WeakPolarHBondContact CB-O 3.41Å; C24-C64 VanDerWaalsContact CB-SG 3.56Å; C24-C64 PolarHBondContact SG-N 3.31Å; C24-C64 PolarHBondContact SG-SG 3.42Å | ||
| 25 | Q | 61.3 | Low | 63.8 | Low | 180 Ų | 180 | 107.2 Ų | 107.2 | 84% | 0.841 | 60% | 0.601 | S | S | * | * | trans | -70.5 | 21.6 | -175.1 | -154.3 | 73.8 | 72.7 | 0 | 0 | 112.5 | I23 | I23-Q25 PolarHBondContact O-N 2.76Š| ||
| 26 | C | 59.1 | Low | 65.4 | Low | 33 Ų | 33 | 104.8 Ų | 104.8 | 22% | 0.223 | 58% | 0.575 | C | S | . | * | trans | -77.8 | 129.3 | 176.5 | -57.7 | 0 | 0 | 0 | 0 | 109.2 | C24 H28 C63 | C24-C26 PolarHBondContact O-N 2.73Å; C24-C26 PolarHBondContact SG-SG 2.92Å; C26-H28 PolarHBondContact O-N 3.36Å; C26-C63 HydrophobicContact CB-CB 4.25Å; C26-C63 WeakPolarHBondContact CB-SG 3.35Å; C26-C63 WeakPolarHBondContact SG-CB 2.93Å; C26-C63 CovalentContact SG-SG 2.03Å; C26-C63 PolarHBondContact SG-SG 3.1Å | ||
| 27 | P | 63.1 | Low | 66.7 | Low | 115 Ų | 115 | 103.3 Ų | 103.3 | 75% | 0.747 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -11.9 | 178.3 | 22.4 | -30.8 | 0 | 0 | 0 | 114 | ||
| 28 | H | 60.7 | Low | 68.5 | Low | 121 Ų | 121 | 103.9 Ų | 103.9 | 56% | 0.56 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.4 | 49.7 | -175.7 | -53.8 | 108.5 | 0 | 0 | 0 | 111.6 | C26 D30 P57 | C26-H28 PolarHBondContact O-N 3.36Å; H28-D30 PolarHBondContact O-N 3.29Å; H28-D30 VanDerWaalsContact O-N 3.07Å; H28-P57 WeakPolarHBondContact O-CG 3.27Å |
| 29 | S | 58 | Low | 70.1 | Confident | 61 Ų | 61 | 102 Ų | 102 | 43% | 0.427 | 52% | 0.524 | S | S | . | . | trans | -70.2 | 7.6 | -179.3 | 56.9 | 0 | 0 | 0 | 0 | 115.2 | D31 | S29-D31 PolarHBondContact O-N 2.99Š| ||
| 30 | D | 62.9 | Low | 71.6 | Confident | 123 Ų | 123 | 92.8 Ų | 92.8 | 66% | 0.658 | 50% | 0.495 | S | S | * | . | trans | -95.9 | 71.2 | -179.2 | -82 | -26.8 | 0 | 0 | 0 | 111 | H28 N32 | H28-D30 PolarHBondContact O-N 3.29Å; H28-D30 VanDerWaalsContact O-N 3.07Å; D30-N32 WeakPolarHBondContact CB-ND2 3.45Å; D30-N32 PolarHBondContact O-N 3.3Å; D30-N32 PolarHBondContact OD1-ND2 3.25Å | ||
| 31 | D | 66.3 | Low | 73.2 | Confident | 27 Ų | 27 | 95.1 Ų | 95.1 | 14% | 0.144 | 50% | 0.495 | C | S | . | . | trans | -69.2 | 46.9 | 157.3 | -81.5 | 57 | 0 | 0 | 0 | 110.2 | S29 D33 C36 C56 P57 V58 S59 | S29-D31 PolarHBondContact O-N 2.99Å; D31-D33 PolarHBondContact O-N 2.82Å; D31-C36 HydrophobicContact CB-CB 4.45Å; D31-C56 WeakPolarHBondContact OD1-CA 3.16Å; D31-C56 VanDerWaalsContact OD2-C 3.27Å; D31-C56 VanDerWaalsContact OD2-CA 3.27Å; D31-C56 WeakPolarHBondContact OD2-CA 3.14Å; D31-P57 WeakPolarHBondContact OD1-CD 3.48Å; D31-V58 HydrophobicContact CB-CB 3.95Å; D31-V58 HydrophobicContact CB-CG2 4.42Å; D31-V58 PolarHBondContact OD1-N 2.8Å; D31-V58 VanDerWaalsContact OD1-N 3.13Å; D31-S59 WeakPolarHBondContact OD2-CA 3.39Å; D31-S59 WeakPolarHBondContact OD2-CB 3.28Å; D31-S59 PolarHBondContact OD2-N 2.81Å; D31-S59 PolarHBondContact OD2-OG 3.13Å | ||
| 32 | N | 63.9 | Low | 74.9 | Confident | 132 Ų | 132 | 89.9 Ų | 89.9 | 71% | 0.706 | 48% | 0.476 | S | S | * | . | trans | -79.4 | -3 | 178.7 | -78.1 | -59 | 0 | 0 | 0 | 112.6 | D30 | D30-N32 WeakPolarHBondContact CB-ND2 3.45Å; D30-N32 PolarHBondContact O-N 3.3Å; D30-N32 PolarHBondContact OD1-ND2 3.25Å | ||
| 33 | D | 74.1 | Confident | 76.9 | Confident | 62 Ų | 62 | 84.5 Ų | 84.5 | 33% | 0.332 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -92.4 | 126 | -179.8 | -158.9 | -52.8 | 0 | 0 | 0 | 110.4 | D31 K35 C36 | D31-D33 PolarHBondContact O-N 2.82Å; D33-K35 HydrophobicContact CB-CB 4.5Å; D33-K35 PolarHBondContact O-N 3.31Å; D33-K35 WeakPolarHBondContact OD1-CB 3.18Å; D33-K35 VanDerWaalsContact OD1-CD 3.28Å; D33-K35 WeakPolarHBondContact OD1-CD 3.43Å; D33-K35 WeakPolarHBondContact OD1-CE 3Å; D33-K35 WeakPolarHBondContact OD1-CG 3.32Å; D33-K35 PolarHBondContact OD1-N 2.72Å; D33-K35 IonicContact OD1-NZ 2.79Å; D33-K35 IonicContact OD2-NZ 3.84Å; D33-K35 PolarHBondContact OD2-NZ 3.27Å; D33-C36 WeakPolarHBondContact O-CB 3.46Å; D33-C36 PolarHBondContact O-N 3.11Å |
| 34 | S | 85.6 | Confident | 78.6 | Confident | 98 Ų | 98 | 78.8 Ų | 78.8 | 69% | 0.685 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -55.3 | -21.4 | 172.9 | 53 | 0 | 0 | 0 | 0 | 112.8 | F38 | S34-F38 WeakPolarHBondContact O-CB 3.21Å; S34-F38 PolarHBondContact O-N 2.03Å |
| 35 | K | 89.9 | Confident | 80.5 | Confident | 100 Ų | 100 | 78.6 Ų | 78.6 | 44% | 0.435 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 171.2 | -66.5 | 167.4 | -151.2 | 137.3 | 0 | 113 | D33 S37 F38 W39 | D33-K35 HydrophobicContact CB-CB 4.5Å; D33-K35 PolarHBondContact O-N 3.31Å; D33-K35 WeakPolarHBondContact OD1-CB 3.18Å; D33-K35 VanDerWaalsContact OD1-CD 3.28Å; D33-K35 WeakPolarHBondContact OD1-CD 3.43Å; D33-K35 WeakPolarHBondContact OD1-CE 3Å; D33-K35 WeakPolarHBondContact OD1-CG 3.32Å; D33-K35 PolarHBondContact OD1-N 2.72Å; D33-K35 IonicContact OD1-NZ 2.79Å; D33-K35 IonicContact OD2-NZ 3.84Å; D33-K35 PolarHBondContact OD2-NZ 3.27Å; K35-S37 VanDerWaalsContact C-N 3.32Å; K35-S37 PolarHBondContact O-N 2.04Å; K35-F38 CarbonylContact O-C 3.4Å; K35-F38 WeakPolarHBondContact O-CB 3.39Å; K35-F38 PolarHBondContact O-N 3.31Å; K35-F38 VanDerWaalsContact O-N 3.14Å; K35-W39 HydrophobicContact CB-CD2 4.06Å; K35-W39 HydrophobicContact CB-CE3 3.93Å; K35-W39 HydrophobicContact CB-CH2 3.83Å; K35-W39 HydrophobicContact CB-CZ2 3.95Å; K35-W39 HydrophobicContact CB-CZ3 3.81Å; K35-W39 HydrophobicContact CD-CH2 3.81Å; K35-W39 HydrophobicContact CD-CZ2 3.99Å; K35-W39 HydrophobicContact CD-CZ3 4.49Å; K35-W39 HydrophobicContact CG-CH2 4.31Å; K35-W39 HydrophobicContact CG-CZ2 4.23Å; K35-W39 WeakPolarHBondContact O-CB 3.39Å; K35-W39 VanDerWaalsContact O-CG 3.26Å; K35-W39 PolarHBondContact O-N 2.93Å |
| 36 | C | 92.1 | Very high | 82.1 | Confident | 5 Ų | 5 | 78.5 Ų | 78.5 | 3% | 0.034 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | -179.5 | -76.1 | 0 | 0 | 0 | 0 | 110.9 | D31 D33 A40 M55 C56 S59 | D31-C36 HydrophobicContact CB-CB 4.45Å; D33-C36 WeakPolarHBondContact O-CB 3.46Å; D33-C36 PolarHBondContact O-N 3.11Å; C36-A40 WeakPolarHBondContact O-CB 3.36Å; C36-A40 PolarHBondContact O-N 2.58Å; C36-M55 PolarHBondContact SG-O 2.93Å; C36-C56 WeakPolarHBondContact CA-SG 3.48Å; C36-C56 HydrophobicContact CB-CB 3.5Å; C36-C56 VanDerWaalsContact CB-CB 3.5Å; C36-C56 WeakPolarHBondContact CB-SG 3.34Å; C36-C56 VanDerWaalsContact SG-CA 3.54Å; C36-C56 WeakPolarHBondContact SG-CB 3.47Å; C36-C56 CovalentContact SG-SG 2.04Å; C36-C56 PolarHBondContact SG-SG 3.46Å; C36-S59 WeakPolarHBondContact CB-OG 3.01Å |
| 37 | S | 90.7 | Very high | 84 | Confident | 58 Ų | 58 | 84.3 Ų | 84.3 | 41% | 0.406 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 171.4 | -54 | 0 | 0 | 0 | 0 | 111.6 | K35 A40 H41 | K35-S37 VanDerWaalsContact C-N 3.32Å; K35-S37 PolarHBondContact O-N 2.04Å; S37-A40 PolarHBondContact O-N 3.18Å; S37-H41 WeakPolarHBondContact O-CB 3.36Å; S37-H41 PolarHBondContact O-CD2 3.29Å; S37-H41 VanDerWaalsContact O-CG 3.28Å; S37-H41 PolarHBondContact O-N 2.94Å |
| 38 | F | 94.3 | Very high | 85.5 | Confident | 120 Ų | 120 | 82.8 Ų | 82.8 | 53% | 0.526 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 178.5 | 176.4 | -104.2 | 0 | 0 | 0 | 112.8 | S34 K35 H41 L42 | S34-F38 WeakPolarHBondContact O-CB 3.21Å; S34-F38 PolarHBondContact O-N 2.03Å; K35-F38 CarbonylContact O-C 3.4Å; K35-F38 WeakPolarHBondContact O-CB 3.39Å; K35-F38 PolarHBondContact O-N 3.31Å; K35-F38 VanDerWaalsContact O-N 3.14Å; F38-H41 WeakPolarHBondContact O-CB 3.27Å; F38-H41 PolarHBondContact O-N 3.13Å; F38-L42 HydrophobicContact CD1-CD1 3.96Å; F38-L42 HydrophobicContact CE1-CD1 3.35Å; F38-L42 HydrophobicContact CE1-CG 4.31Å; F38-L42 HydrophobicContact CE2-CD1 4.24Å; F38-L42 HydrophobicContact CE2-CG 4.49Å; F38-L42 HydrophobicContact CZ-CD1 3.52Å; F38-L42 HydrophobicContact CZ-CG 4.24Å; F38-L42 WeakPolarHBondContact O-CG 3.41Å; F38-L42 PolarHBondContact O-N 2.94Å |
| 39 | W | 95 | Very high | 87 | Confident | 68 Ų | 68 | 79.5 Ų | 79.5 | 26% | 0.258 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 179.5 | -68.1 | -32.4 | 0 | 0 | 0 | 112.2 | K35 H41 L42 G43 E44 F51 M52 | K35-W39 HydrophobicContact CB-CD2 4.06Å; K35-W39 HydrophobicContact CB-CE3 3.93Å; K35-W39 HydrophobicContact CB-CH2 3.83Å; K35-W39 HydrophobicContact CB-CZ2 3.95Å; K35-W39 HydrophobicContact CB-CZ3 3.81Å; K35-W39 HydrophobicContact CD-CH2 3.81Å; K35-W39 HydrophobicContact CD-CZ2 3.99Å; K35-W39 HydrophobicContact CD-CZ3 4.49Å; K35-W39 HydrophobicContact CG-CH2 4.31Å; K35-W39 HydrophobicContact CG-CZ2 4.23Å; K35-W39 WeakPolarHBondContact O-CB 3.39Å; K35-W39 VanDerWaalsContact O-CG 3.26Å; K35-W39 PolarHBondContact O-N 2.93Å; W39-H41 VanDerWaalsContact C-N 3.32Å; W39-H41 PolarHBondContact O-N 2.77Å; W39-L42 CarbonylContact O-C 3.59Å; W39-L42 PolarHBondContact O-N 2.72Å; W39-L42 VanDerWaalsContact O-N 3.09Å; W39-G43 PolarHBondContact O-N 3.26Å; W39-E44 HydrophobicContact CB-CB 3.92Å; W39-E44 HydrophobicContact CB-CG 3.74Å; W39-E44 HydrophobicContact CG-CG 4.22Å; W39-E44 VanDerWaalsContact O-CB 3.27Å; W39-E44 WeakPolarHBondContact O-CB 3.11Å; W39-E44 VanDerWaalsContact O-CG 3.32Å; W39-E44 WeakPolarHBondContact O-CG 3.46Å; W39-E44 PolarHBondContact O-N 2.88Å; W39-F51 AromaticContact CE3-CE1 3.96Å; W39-F51 HydrophobicContact CE3-CE1 3.96Å; W39-F51 HydrophobicContact CH2-CE1 4.09Å; W39-F51 HydrophobicContact CH2-CZ 4.07Å; W39-F51 AromaticContact CZ3-CE1 3.66Å; W39-F51 HydrophobicContact CZ3-CE1 3.66Å; W39-F51 AromaticContact CZ3-CZ 3.95Å; W39-F51 HydrophobicContact CZ3-CZ 3.95Å; W39-M52 HydrophobicContact CB-CE 3.62Å; W39-M52 HydrophobicContact CB-SD 3.67Å; W39-M52 HydrophobicContact CD2-SD 4.49Å; W39-M52 HydrophobicContact CE3-SD 4.11Å; W39-M52 HydrophobicContact CG-SD 4.38Å |
| 40 | A | 93.3 | Very high | 88.7 | Confident | 27 Ų | 27 | 79.1 Ų | 79.1 | 22% | 0.223 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61 | -42.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | C36 S37 L42 G43 M52 S59 | C36-A40 WeakPolarHBondContact O-CB 3.36Å; C36-A40 PolarHBondContact O-N 2.58Å; S37-A40 PolarHBondContact O-N 3.18Å; A40-L42 VanDerWaalsContact C-N 3.26Å; A40-L42 PolarHBondContact O-N 2.83Å; A40-G43 PolarHBondContact O-N 3.26Å; A40-M52 HydrophobicContact CB-CE 4.24Å; A40-S59 WeakPolarHBondContact CB-O 3.5Å |
| 41 | H | 94.5 | Very high | 90 | Very high | 170 Ų | 170 | 77.8 Ų | 77.8 | 79% | 0.787 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.4 | -30.5 | 173 | -75.3 | -52.7 | 0 | 0 | 0 | 113.6 | S37 F38 W39 G43 | S37-H41 WeakPolarHBondContact O-CB 3.36Å; S37-H41 PolarHBondContact O-CD2 3.29Å; S37-H41 VanDerWaalsContact O-CG 3.28Å; S37-H41 PolarHBondContact O-N 2.94Å; F38-H41 WeakPolarHBondContact O-CB 3.27Å; F38-H41 PolarHBondContact O-N 3.13Å; W39-H41 VanDerWaalsContact C-N 3.32Å; W39-H41 PolarHBondContact O-N 2.77Å; H41-G43 PolarHBondContact O-N 2.91Å |
| 42 | L | 96.2 | Very high | 91.2 | Very high | 80 Ų | 80 | 76.5 Ų | 76.5 | 42% | 0.419 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -1.2 | 173.8 | -71.7 | -179.1 | 0 | 0 | 0 | 114 | F38 W39 A40 E44 R47 | F38-L42 HydrophobicContact CD1-CD1 3.96Å; F38-L42 HydrophobicContact CE1-CD1 3.35Å; F38-L42 HydrophobicContact CE1-CG 4.31Å; F38-L42 HydrophobicContact CE2-CD1 4.24Å; F38-L42 HydrophobicContact CE2-CG 4.49Å; F38-L42 HydrophobicContact CZ-CD1 3.52Å; F38-L42 HydrophobicContact CZ-CG 4.24Å; F38-L42 WeakPolarHBondContact O-CG 3.41Å; F38-L42 PolarHBondContact O-N 2.94Å; W39-L42 CarbonylContact O-C 3.59Å; W39-L42 PolarHBondContact O-N 2.72Å; W39-L42 VanDerWaalsContact O-N 3.09Å; A40-L42 VanDerWaalsContact C-N 3.26Å; A40-L42 PolarHBondContact O-N 2.83Å; L42-E44 HydrophobicContact CB-CG 4.29Å; L42-R47 PolarHBondContact O-NH1 3.4Å; L42-R47 PolarHBondContact O-NH2 3.03Å |
| 43 | G | 96.6 | Very high | 92.5 | Very high | 20 Ų | 20 | 74.5 Ų | 74.5 | 21% | 0.206 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 21.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | W39 A40 H41 C45 E46 R47 | W39-G43 PolarHBondContact O-N 3.26Å; A40-G43 PolarHBondContact O-N 3.26Å; H41-G43 PolarHBondContact O-N 2.91Å; G43-C45 PolarHBondContact O-N 3.09Å; G43-E46 PolarHBondContact O-N 2.99Å; G43-R47 PolarHBondContact O-N 3.45Å; G43-R47 VanDerWaalsContact O-N 3.13Å |
| 44 | E | 96.6 | Very high | 93.1 | Very high | 30 Ų | 30 | 75.8 Ų | 75.8 | 14% | 0.14 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.4 | -24.7 | 179.9 | -66.4 | -60.7 | 153.9 | 0 | 0 | 112.6 | W39 L42 E46 R47 I48 M52 | W39-E44 HydrophobicContact CB-CB 3.92Å; W39-E44 HydrophobicContact CB-CG 3.74Å; W39-E44 HydrophobicContact CG-CG 4.22Å; W39-E44 VanDerWaalsContact O-CB 3.27Å; W39-E44 WeakPolarHBondContact O-CB 3.11Å; W39-E44 VanDerWaalsContact O-CG 3.32Å; W39-E44 WeakPolarHBondContact O-CG 3.46Å; W39-E44 PolarHBondContact O-N 2.88Å; L42-E44 HydrophobicContact CB-CG 4.29Å; E44-E46 PolarHBondContact O-N 3.45Å; E44-R47 VanDerWaalsContact CD-NH1 3.32Å; E44-R47 PolarHBondContact O-N 3.14Å; E44-R47 IonicContact OE1-CZ 3.71Å; E44-R47 IonicContact OE1-NH1 2.6Å; E44-R47 PolarHBondContact OE1-NH1 3.35Å; E44-R47 IonicContact OE2-NH1 3.64Å; E44-I48 CarbonylContact O-C 3.57Å; E44-I48 WeakPolarHBondContact O-CA 2.98Å; E44-I48 PolarHBondContact O-N 2.76Å; E44-I48 WeakPolarHBondContact OE2-CD1 3.25Å; E44-I48 WeakPolarHBondContact OE2-CG1 3.03Å; E44-M52 HydrophobicContact CB-CE 3.99Å; E44-M52 HydrophobicContact CB-CG 3.69Å; E44-M52 HydrophobicContact CB-SD 3.71Å; E44-M52 WeakPolarHBondContact O-CG 3.35Å |
| 45 | C | 95.5 | Very high | 93.1 | Very high | 21 Ų | 21 | 76 Ų | 76 | 14% | 0.142 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.3 | -33.9 | 175.4 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | G43 P49 C60 | G43-C45 PolarHBondContact O-N 3.09Å; C45-P49 WeakPolarHBondContact O-CA 3.48Å; C45-P49 WeakPolarHBondContact O-CB 3.03Å; C45-C60 VanDerWaalsContact CA-SG 3.57Å; C45-C60 HydrophobicContact CB-CB 3.69Å; C45-C60 WeakPolarHBondContact CB-SG 3.47Å; C45-C60 WeakPolarHBondContact SG-CA 3.1Å; C45-C60 WeakPolarHBondContact SG-CB 3.48Å; C45-C60 CovalentContact SG-SG 2.03Å; C45-C60 PolarHBondContact SG-SG 2.95Å |
| 46 | E | 96.6 | Very high | 93.2 | Very high | 177 Ų | 177 | 71.2 Ų | 71.2 | 83% | 0.827 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -91.2 | -34.5 | 177.1 | -62.5 | -179.9 | 98.4 | 0 | 0 | 111.6 | G43 E44 | G43-E46 PolarHBondContact O-N 2.99Å; E44-E46 PolarHBondContact O-N 3.45Å |
| 47 | R | 97.6 | Very high | 93 | Very high | 155 Ų | 155 | 71.2 Ų | 71.2 | 59% | 0.585 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -73.7 | -41.4 | -177.9 | -169.3 | -179.3 | -65.1 | 124.2 | 13.1 | 112.7 | L42 G43 E44 | L42-R47 PolarHBondContact O-NH1 3.4Å; L42-R47 PolarHBondContact O-NH2 3.03Å; G43-R47 PolarHBondContact O-N 3.45Å; G43-R47 VanDerWaalsContact O-N 3.13Å; E44-R47 VanDerWaalsContact CD-NH1 3.32Å; E44-R47 PolarHBondContact O-N 3.14Å; E44-R47 IonicContact OE1-CZ 3.71Å; E44-R47 IonicContact OE1-NH1 2.6Å; E44-R47 PolarHBondContact OE1-NH1 3.35Å; E44-R47 IonicContact OE2-NH1 3.64Å |
| 48 | I | 94.9 | Very high | 92.9 | Very high | 83 Ų | 83 | 70.9 Ų | 70.9 | 43% | 0.426 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -138.7 | 62.1 | -174.7 | -42 | 179 | 0 | 0 | 0 | 110.3 | E44 G50 F51 M52 | E44-I48 CarbonylContact O-C 3.57Å; E44-I48 WeakPolarHBondContact O-CA 2.98Å; E44-I48 PolarHBondContact O-N 2.76Å; E44-I48 WeakPolarHBondContact OE2-CD1 3.25Å; E44-I48 WeakPolarHBondContact OE2-CG1 3.03Å; I48-G50 VanDerWaalsContact C-N 3.33Å; I48-G50 PolarHBondContact O-N 2.92Å; I48-F51 HydrophobicContact CG2-CB 3.69Å; I48-F51 PolarHBondContact O-N 3.3Å; I48-M52 PolarHBondContact O-N 3.48Å; I48-M52 VanDerWaalsContact O-N 3.1Å |
| 49 | P | 93.5 | Very high | 92.6 | Very high | 53 Ų | 53 | 67 Ų | 67 | 34% | 0.344 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.9 | -39.5 | -172.9 | 21.6 | -33.1 | 0 | 0 | 0 | 112.9 | C45 F51 M52 F53 | C45-P49 WeakPolarHBondContact O-CA 3.48Å; C45-P49 WeakPolarHBondContact O-CB 3.03Å; P49-F51 PolarHBondContact O-N 3.01Å; P49-M52 PolarHBondContact O-N 3.24Å; P49-F53 HydrophobicContact CB-CD1 4.46Å; P49-F53 HydrophobicContact CB-CD2 4.2Å; P49-F53 HydrophobicContact CB-CE1 4.04Å; P49-F53 HydrophobicContact CB-CE2 3.78Å; P49-F53 HydrophobicContact CB-CZ 3.68Å; P49-F53 WeakPolarHBondContact O-CB 3.34Å; P49-F53 VanDerWaalsContact O-CD1 3.32Å; P49-F53 WeakPolarHBondContact O-CD1 3.2Å; P49-F53 WeakPolarHBondContact O-CG 3.49Å; P49-F53 PolarHBondContact O-N 2.98Å |
| 50 | G | 92.2 | Very high | 92.4 | Very high | 52 Ų | 52 | 65 Ų | 65 | 54% | 0.536 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | I48 T54 | I48-G50 VanDerWaalsContact C-N 3.33Å; I48-G50 PolarHBondContact O-N 2.92Å; G50-T54 PolarHBondContact O-OG1 3.24Å |
| 51 | F | 91.4 | Very high | 92.1 | Very high | 95 Ų | 95 | 66.7 Ų | 66.7 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.7 | -50.8 | 175.6 | 175.9 | -97.9 | 0 | 0 | 0 | 110.3 | W39 I48 P49 F53 T54 M55 | W39-F51 AromaticContact CE3-CE1 3.96Å; W39-F51 HydrophobicContact CE3-CE1 3.96Å; W39-F51 HydrophobicContact CH2-CE1 4.09Å; W39-F51 HydrophobicContact CH2-CZ 4.07Å; W39-F51 AromaticContact CZ3-CE1 3.66Å; W39-F51 HydrophobicContact CZ3-CE1 3.66Å; W39-F51 AromaticContact CZ3-CZ 3.95Å; W39-F51 HydrophobicContact CZ3-CZ 3.95Å; I48-F51 HydrophobicContact CG2-CB 3.69Å; I48-F51 PolarHBondContact O-N 3.3Å; P49-F51 PolarHBondContact O-N 3.01Å; F51-F53 VanDerWaalsContact C-N 3.34Å; F51-F53 PolarHBondContact O-N 3.05Å; F51-T54 PolarHBondContact O-N 2.79Å; F51-M55 HydrophobicContact CD1-CG 4.47Å; F51-M55 HydrophobicContact CD2-CG 4.01Å; F51-M55 HydrophobicContact CE1-CB 4.32Å; F51-M55 HydrophobicContact CE1-CG 4.16Å; F51-M55 HydrophobicContact CE2-CG 3.67Å; F51-M55 HydrophobicContact CG-CG 4.4Å; F51-M55 HydrophobicContact CZ-CB 4.33Å; F51-M55 HydrophobicContact CZ-CG 3.76Å; F51-M55 WeakPolarHBondContact O-CB 3.33Å; F51-M55 WeakPolarHBondContact O-CG 3Å; F51-M55 PolarHBondContact O-N 2.76Å |
| 52 | M | 91.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.9 | -33.3 | -175 | -72 | -66.4 | -70.9 | 0 | 0 | 113 | W39 A40 E44 I48 P49 T54 C56 C60 | W39-M52 HydrophobicContact CB-CE 3.62Å; W39-M52 HydrophobicContact CB-SD 3.67Å; W39-M52 HydrophobicContact CD2-SD 4.49Å; W39-M52 HydrophobicContact CE3-SD 4.11Å; W39-M52 HydrophobicContact CG-SD 4.38Å; A40-M52 HydrophobicContact CB-CE 4.24Å; E44-M52 HydrophobicContact CB-CE 3.99Å; E44-M52 HydrophobicContact CB-CG 3.69Å; E44-M52 HydrophobicContact CB-SD 3.71Å; E44-M52 WeakPolarHBondContact O-CG 3.35Å; I48-M52 PolarHBondContact O-N 3.48Å; I48-M52 VanDerWaalsContact O-N 3.1Å; P49-M52 PolarHBondContact O-N 3.24Å; M52-T54 VanDerWaalsContact C-N 3.29Å; M52-T54 PolarHBondContact O-N 2.6Å; M52-C56 HydrophobicContact CE-CB 3.89Å; M52-C56 CarbonylContact O-C 3.02Å; M52-C56 WeakPolarHBondContact O-CA 3.41Å; M52-C56 WeakPolarHBondContact O-CB 3.21Å; M52-C56 PolarHBondContact O-N 3.43Å; M52-C56 HydrophobicContact SD-CB 4.28Å; M52-C60 VanDerWaalsContact CB-SG 3.51Å |
| 53 | F | 89.9 | Confident | 90.9 | Very high | 89 Ų | 89 | 59.7 Ų | 59.7 | 39% | 0.39 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -73 | -26.3 | 178 | -67.7 | -1.3 | 0 | 0 | 0 | 112.5 | P49 F51 P57 C60 I62 | P49-F53 HydrophobicContact CB-CD1 4.46Å; P49-F53 HydrophobicContact CB-CD2 4.2Å; P49-F53 HydrophobicContact CB-CE1 4.04Å; P49-F53 HydrophobicContact CB-CE2 3.78Å; P49-F53 HydrophobicContact CB-CZ 3.68Å; P49-F53 WeakPolarHBondContact O-CB 3.34Å; P49-F53 VanDerWaalsContact O-CD1 3.32Å; P49-F53 WeakPolarHBondContact O-CD1 3.2Å; P49-F53 WeakPolarHBondContact O-CG 3.49Å; P49-F53 PolarHBondContact O-N 2.98Å; F51-F53 VanDerWaalsContact C-N 3.34Å; F51-F53 PolarHBondContact O-N 3.05Å; F53-P57 WeakPolarHBondContact O-CB 3.32Å; F53-C60 HydrophobicContact CD1-CB 4.09Å; F53-C60 HydrophobicContact CE1-CB 4.03Å; F53-I62 HydrophobicContact CB-CD1 3.42Å; F53-I62 VanDerWaalsContact CB-CD1 3.42Å; F53-I62 HydrophobicContact CD1-CD1 3.67Å; F53-I62 HydrophobicContact CD1-CG1 4.06Å; F53-I62 HydrophobicContact CD1-CG2 3.93Å; F53-I62 HydrophobicContact CD2-CD1 4.03Å; F53-I62 HydrophobicContact CE1-CD1 4.45Å; F53-I62 HydrophobicContact CE1-CG2 3.56Å; F53-I62 HydrophobicContact CE2-CG2 4.26Å; F53-I62 HydrophobicContact CG-CD1 3.44Å; F53-I62 VanDerWaalsContact CG-CD1 3.44Å; F53-I62 HydrophobicContact CG-CG1 4.32Å; F53-I62 HydrophobicContact CG-CG2 4.45Å; F53-I62 HydrophobicContact CZ-CG2 3.74Å |
| 54 | T | 87.3 | Confident | 89.4 | Confident | 90 Ų | 90 | 63.1 Ų | 63.1 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -81.7 | -41.5 | 175.2 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | G50 F51 M52 | G50-T54 PolarHBondContact O-OG1 3.24Å; F51-T54 PolarHBondContact O-N 2.79Å; M52-T54 VanDerWaalsContact C-N 3.29Å; M52-T54 PolarHBondContact O-N 2.6Å |
| 55 | M | 86.3 | Confident | 89 | Confident | 101 Ų | 101 | 64.8 Ų | 64.8 | 50% | 0.498 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -93.7 | -34.6 | -171.3 | -68.9 | -63.1 | -59.5 | 0 | 0 | 114.2 | C36 F51 P57 | C36-M55 PolarHBondContact SG-O 2.93Å; F51-M55 HydrophobicContact CD1-CG 4.47Å; F51-M55 HydrophobicContact CD2-CG 4.01Å; F51-M55 HydrophobicContact CE1-CB 4.32Å; F51-M55 HydrophobicContact CE1-CG 4.16Å; F51-M55 HydrophobicContact CE2-CG 3.67Å; F51-M55 HydrophobicContact CG-CG 4.4Å; F51-M55 HydrophobicContact CZ-CB 4.33Å; F51-M55 HydrophobicContact CZ-CG 3.76Å; F51-M55 WeakPolarHBondContact O-CB 3.33Å; F51-M55 WeakPolarHBondContact O-CG 3Å; F51-M55 PolarHBondContact O-N 2.76Å; M55-P57 VanDerWaalsContact C-CD 3.47Å |
| 56 | C | 90.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -137.4 | 48.6 | -169.5 | -54.8 | 0 | 0 | 0 | 0 | 112.3 | D31 C36 M52 V58 S59 C60 | D31-C56 WeakPolarHBondContact OD1-CA 3.16Å; D31-C56 VanDerWaalsContact OD2-C 3.27Å; D31-C56 VanDerWaalsContact OD2-CA 3.27Å; D31-C56 WeakPolarHBondContact OD2-CA 3.14Å; C36-C56 WeakPolarHBondContact CA-SG 3.48Å; C36-C56 HydrophobicContact CB-CB 3.5Å; C36-C56 VanDerWaalsContact CB-CB 3.5Å; C36-C56 WeakPolarHBondContact CB-SG 3.34Å; C36-C56 VanDerWaalsContact SG-CA 3.54Å; C36-C56 WeakPolarHBondContact SG-CB 3.47Å; C36-C56 CovalentContact SG-SG 2.04Å; C36-C56 PolarHBondContact SG-SG 3.46Å; M52-C56 HydrophobicContact CE-CB 3.89Å; M52-C56 CarbonylContact O-C 3.02Å; M52-C56 WeakPolarHBondContact O-CA 3.41Å; M52-C56 WeakPolarHBondContact O-CB 3.21Å; M52-C56 PolarHBondContact O-N 3.43Å; M52-C56 HydrophobicContact SD-CB 4.28Å; C56-V58 PolarHBondContact O-N 2.76Å; C56-S59 PolarHBondContact O-N 2.83Å; C56-C60 PolarHBondContact O-N 2.76Å; C56-C60 VanDerWaalsContact O-N 3.11Å | ||
| 57 | P | 87.8 | Confident | 88.2 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 4% | 0.039 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -33.7 | -174.1 | 26.1 | -36.2 | 0 | 0 | 0 | 112.9 | H28 D31 F53 M55 G61 I62 C63 | H28-P57 WeakPolarHBondContact O-CG 3.27Å; D31-P57 WeakPolarHBondContact OD1-CD 3.48Å; F53-P57 WeakPolarHBondContact O-CB 3.32Å; M55-P57 VanDerWaalsContact C-CD 3.47Å; P57-G61 PolarHBondContact O-N 3.06Å; P57-I62 HydrophobicContact CB-CD1 3.84Å; P57-I62 HydrophobicContact CB-CG1 3.81Å; P57-I62 WeakPolarHBondContact O-CG1 3.41Å; P57-I62 PolarHBondContact O-N 2.82Å; P57-I62 VanDerWaalsContact O-N 3.11Å; P57-C63 HydrophobicContact CB-CB 3.71Å; P57-C63 HydrophobicContact CG-CB 4.4Å; P57-C63 PolarHBondContact O-N 3.39Å |
| 58 | V | 88.5 | Confident | 87.7 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -42.6 | -179.5 | -177 | 0 | 0 | 0 | 0 | 110.6 | D31 C56 C60 G61 C63 | D31-V58 HydrophobicContact CB-CB 3.95Å; D31-V58 HydrophobicContact CB-CG2 4.42Å; D31-V58 PolarHBondContact OD1-N 2.8Å; D31-V58 VanDerWaalsContact OD1-N 3.13Å; C56-V58 PolarHBondContact O-N 2.76Å; V58-C60 PolarHBondContact O-N 2.81Å; V58-G61 PolarHBondContact O-N 2.99Å; V58-C63 HydrophobicContact CG2-CB 4.25Å |
| 59 | S | 89.5 | Confident | 87.2 | Confident | 38 Ų | 38 | 53.7 Ų | 53.7 | 27% | 0.266 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -28.5 | 179 | -60.4 | 0 | 0 | 0 | 0 | 112 | D31 C36 A40 C56 G61 | D31-S59 WeakPolarHBondContact OD2-CA 3.39Å; D31-S59 WeakPolarHBondContact OD2-CB 3.28Å; D31-S59 PolarHBondContact OD2-N 2.81Å; D31-S59 PolarHBondContact OD2-OG 3.13Å; C36-S59 WeakPolarHBondContact CB-OG 3.01Å; A40-S59 WeakPolarHBondContact CB-O 3.5Å; C56-S59 PolarHBondContact O-N 2.83Å; S59-G61 VanDerWaalsContact C-N 3.32Å |
| 60 | C | 91 | Very high | 86.8 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 18% | 0.176 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -2.8 | 171.6 | -64.2 | 0 | 0 | 0 | 0 | 114.7 | C45 M52 F53 C56 V58 I62 | C45-C60 VanDerWaalsContact CA-SG 3.57Å; C45-C60 HydrophobicContact CB-CB 3.69Å; C45-C60 WeakPolarHBondContact CB-SG 3.47Å; C45-C60 WeakPolarHBondContact SG-CA 3.1Å; C45-C60 WeakPolarHBondContact SG-CB 3.48Å; C45-C60 CovalentContact SG-SG 2.03Å; C45-C60 PolarHBondContact SG-SG 2.95Å; M52-C60 VanDerWaalsContact CB-SG 3.51Å; F53-C60 HydrophobicContact CD1-CB 4.09Å; F53-C60 HydrophobicContact CE1-CB 4.03Å; C56-C60 PolarHBondContact O-N 2.76Å; C56-C60 VanDerWaalsContact O-N 3.11Å; V58-C60 PolarHBondContact O-N 2.81Å; C60-I62 HydrophobicContact CB-CG1 4.45Å; C60-I62 HydrophobicContact CB-CG2 4.41Å; C60-I62 PolarHBondContact O-N 3.3Å |
| 61 | G | 86.5 | Confident | 86.4 | Confident | 63 Ų | 63 | 53.9 Ų | 53.9 | 65% | 0.649 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 16.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | P57 V58 S59 | P57-G61 PolarHBondContact O-N 3.06Å; V58-G61 PolarHBondContact O-N 2.99Å; S59-G61 VanDerWaalsContact C-N 3.32Å |
| 62 | I | 85.5 | Confident | 86 | Confident | 90 Ų | 90 | 50.7 Ų | 50.7 | 46% | 0.462 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -83.8 | -9.4 | 172.7 | 62.9 | 148.5 | 0 | 0 | 0 | 112 | F53 P57 C60 | F53-I62 HydrophobicContact CB-CD1 3.42Å; F53-I62 VanDerWaalsContact CB-CD1 3.42Å; F53-I62 HydrophobicContact CD1-CD1 3.67Å; F53-I62 HydrophobicContact CD1-CG1 4.06Å; F53-I62 HydrophobicContact CD1-CG2 3.93Å; F53-I62 HydrophobicContact CD2-CD1 4.03Å; F53-I62 HydrophobicContact CE1-CD1 4.45Å; F53-I62 HydrophobicContact CE1-CG2 3.56Å; F53-I62 HydrophobicContact CE2-CG2 4.26Å; F53-I62 HydrophobicContact CG-CD1 3.44Å; F53-I62 VanDerWaalsContact CG-CD1 3.44Å; F53-I62 HydrophobicContact CG-CG1 4.32Å; F53-I62 HydrophobicContact CG-CG2 4.45Å; F53-I62 HydrophobicContact CZ-CG2 3.74Å; P57-I62 HydrophobicContact CB-CD1 3.84Å; P57-I62 HydrophobicContact CB-CG1 3.81Å; P57-I62 WeakPolarHBondContact O-CG1 3.41Å; P57-I62 PolarHBondContact O-N 2.82Å; P57-I62 VanDerWaalsContact O-N 3.11Å; C60-I62 HydrophobicContact CB-CG1 4.45Å; C60-I62 HydrophobicContact CB-CG2 4.41Å; C60-I62 PolarHBondContact O-N 3.3Å |
| 63 | C | 78.7 | Confident | 85.6 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 8% | 0.081 | 34% | 0.337 | C | S | . | . | trans | -134.3 | 152.1 | 178.3 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | C24 C26 P57 V58 | C24-C63 PolarHBondContact SG-SG 2.89Å; C26-C63 HydrophobicContact CB-CB 4.25Å; C26-C63 WeakPolarHBondContact CB-SG 3.35Å; C26-C63 WeakPolarHBondContact SG-CB 2.93Å; C26-C63 CovalentContact SG-SG 2.03Å; C26-C63 PolarHBondContact SG-SG 3.1Å; P57-C63 HydrophobicContact CB-CB 3.71Å; P57-C63 HydrophobicContact CG-CB 4.4Å; P57-C63 PolarHBondContact O-N 3.39Å; V58-C63 HydrophobicContact CG2-CB 4.25Å | ||
| 64 | C | 65.2 | Low | 85.2 | Confident | 92 Ų | 92 | 51.7 Ų | 51.7 | 62% | 0.622 | 33% | 0.332 | S | S | * | . | trans | -102.7 | 0 | 179.9 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | M22 C24 | M22-C64 HydrophobicContact CB-CB 4.49Å; M22-C64 HydrophobicContact SD-CB 3.6Å; M22-C64 VanDerWaalsContact SD-CB 3.6Å; C24-C64 VanDerWaalsContact CB-C 3.48Å; C24-C64 HydrophobicContact CB-CB 4.36Å; C24-C64 WeakPolarHBondContact CB-O 3.41Å; C24-C64 VanDerWaalsContact CB-SG 3.56Å; C24-C64 PolarHBondContact SG-N 3.31Å; C24-C64 PolarHBondContact SG-SG 3.42Å |
Retrieved 64 of 64 residues in 17.9 ms
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