| 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 | S | 47.3 | Very low | 57.1 | Low | 182 Ų | 182 | 142.1 Ų | 142.1 | 100% | 1.273 | 83% | 0.827 | S | S | * | * | 0 | 118.9 | 0 | -53 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 2 | K | 58.5 | Low | 57 | Low | 196 Ų | 196 | 149.4 Ų | 149.4 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | trans | -99.3 | 115.4 | -177.1 | -174.2 | 164.8 | -176.9 | 162.8 | 0 | 106.8 | ||||
| 3 | S | 56.2 | Low | 56.5 | Low | 116 Ų | 116 | 146.9 Ų | 146.9 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -122.6 | 103.6 | 167.4 | 59.5 | 0 | 0 | 0 | 0 | 108.2 | D5 | S3-D5 PolarHBondContact O-N 3.43Š| ||
| 4 | C | 60 | Low | 56.3 | Low | 107 Ų | 107 | 148.8 Ų | 148.8 | 72% | 0.723 | 81% | 0.814 | S | S | * | * | trans | -74.3 | 111 | 164.3 | -62.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 5 | D | 65.1 | Low | 56.2 | Low | 157 Ų | 157 | 143.2 Ų | 143.2 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -92.2 | 93 | 165.7 | -171.9 | -104.9 | 0 | 0 | 0 | 106.5 | S3 | S3-D5 PolarHBondContact O-N 3.43Š| ||
| 6 | D | 63.4 | Low | 56.1 | Low | 139 Ų | 139 | 148.1 Ų | 148.1 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | -127.8 | 66.7 | 173.2 | -124.8 | -33.7 | 0 | 0 | 0 | 107.9 | ||||
| 7 | G | 59.7 | Low | 55.4 | Low | 72 Ų | 72 | 145.3 Ų | 145.3 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -98.7 | 57.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 8 | L | 64.7 | Low | 55.1 | Low | 155 Ų | 155 | 147.2 Ų | 147.2 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -76.3 | 124.2 | 169.6 | -77.1 | 171.5 | 0 | 0 | 0 | 109.9 | ||||
| 9 | N | 55.7 | Low | 55.1 | Low | 127 Ų | 127 | 151.8 Ų | 151.8 | 68% | 0.679 | 81% | 0.807 | S | S | * | * | trans | 92.2 | 87 | 160.2 | -156.6 | 71.5 | 0 | 0 | 0 | 118.5 | F11 | N9-F11 WeakPolarHBondContact OD1-CB 3.44Š| ||
| 10 | T | 50.7 | Low | 55 | Low | 143 Ų | 143 | 155.6 Ų | 155.6 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -114.7 | 76.3 | 138 | 50.4 | 0 | 0 | 0 | 0 | 109.1 | R12 | T10-R12 PolarHBondContact O-N 2.82Š| ||
| 11 | F | 47.4 | Very low | 55.3 | Low | 169 Ų | 169 | 153.2 Ų | 153.2 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -66.6 | 83.2 | 168.3 | -158.3 | -90.8 | 0 | 0 | 0 | 109.2 | N9 | N9-F11 WeakPolarHBondContact OD1-CB 3.44Š| ||
| 12 | R | 56 | Low | 55.8 | Low | 230 Ų | 230 | 148.6 Ų | 148.6 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | trans | -148.2 | 89.8 | 162.5 | -85.2 | -149.1 | -164.5 | -173.9 | 7.7 | 109.3 | T10 | T10-R12 PolarHBondContact O-N 2.82Š| ||
| 13 | D | 49.3 | Very low | 55.7 | Low | 117 Ų | 117 | 144.8 Ų | 144.8 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | trans | -143.5 | 64.9 | 147.2 | -165.2 | 46.9 | 0 | 0 | 0 | 108.5 | G15 | D13-G15 PolarHBondContact O-N 3Š| ||
| 14 | E | 53.8 | Low | 55.8 | Low | 173 Ų | 173 | 150.5 Ų | 150.5 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | trans | -67.8 | 115 | 160.8 | -73.6 | -73.1 | 170.2 | 0 | 0 | 107.7 | ||||
| 15 | G | 55.1 | Low | 55.9 | Low | 65 Ų | 65 | 149 Ų | 149 | 67% | 0.67 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 140.6 | -7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | D13 | D13-G15 PolarHBondContact O-N 3Š|
| 16 | R | 54.3 | Low | 55.8 | Low | 222 Ų | 222 | 145.7 Ų | 145.7 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -145.2 | 30.5 | -176.1 | -70.5 | -170.5 | -66.6 | -97.9 | -6.1 | 117.8 | ||
| 17 | V | 44.6 | Very low | 55.8 | Low | 100 Ų | 100 | 142.6 Ų | 142.6 | 61% | 0.606 | 72% | 0.716 | S | S | * | * | trans | -110.2 | -4.5 | -177.2 | -168.6 | 0 | 0 | 0 | 0 | 114.7 | R19 R20 | V17-R19 PolarHBondContact O-N 3.39Å; V17-R20 PolarHBondContact O-N 3.19Å | ||
| 18 | L | 49.5 | Very low | 56.2 | Low | 180 Ų | 180 | 143.5 Ų | 143.5 | 94% | 0.942 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -0.4 | -178.4 | -64.9 | 179.1 | 0 | 0 | 0 | 115.6 | ||
| 19 | R | 54.8 | Low | 56.2 | Low | 235 Ų | 235 | 142.7 Ų | 142.7 | 89% | 0.887 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 13.9 | 176.1 | -66.1 | -158.2 | 82.3 | -179.8 | 6.3 | 115.5 | V17 | V17-R19 PolarHBondContact O-N 3.39Š|
| 20 | R | 54.2 | Low | 56.7 | Low | 227 Ų | 227 | 142.1 Ų | 142.1 | 86% | 0.857 | 69% | 0.685 | S | S | * | * | trans | -114.7 | 55.8 | 168.5 | -66.8 | -168 | -178.9 | -152 | 2.5 | 111.6 | V17 | V17-R20 PolarHBondContact O-N 3.19Š| ||
| 21 | L | 60.9 | Low | 57.7 | Low | 106 Ų | 106 | 139.5 Ų | 139.5 | 56% | 0.555 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -54.2 | 138.8 | 152.6 | -166 | 69.8 | 0 | 0 | 0 | 107.1 | N23 | L21-N23 VanDerWaalsContact C-N 3.31Å; L21-N23 PolarHBondContact O-N 3.21Å |
| 22 | P | 56.9 | Low | 58.5 | Low | 84 Ų | 84 | 137.1 Ų | 137.1 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | trans | -59.5 | 93.1 | -175.9 | 21.1 | -32 | 0 | 0 | 0 | 110.4 | R24 | P22-R24 PolarHBondContact O-N 2.62Š| ||
| 23 | N | 57.5 | Low | 59 | Low | 117 Ų | 117 | 129.2 Ų | 129.2 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 22.2 | -174.8 | -89.1 | -25.5 | 0 | 0 | 0 | 113.7 | L21 | L21-N23 VanDerWaalsContact C-N 3.31Å; L21-N23 PolarHBondContact O-N 3.21Å |
| 24 | R | 58.4 | Low | 59.8 | Low | 235 Ų | 235 | 130 Ų | 130 | 89% | 0.887 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140 | 17.9 | -171.1 | -88.4 | -172.8 | 175.8 | 171.4 | -1.6 | 115.1 | P22 P26 | P22-R24 PolarHBondContact O-N 2.62Å; R24-P26 WeakPolarHBondContact O-CD 3.16Å |
| 25 | I | 62.6 | Low | 60.3 | Low | 76 Ų | 76 | 129 Ų | 129 | 39% | 0.39 | 62% | 0.622 | S | S | . | * | trans | -110.6 | 94.2 | 170 | -53.9 | 172 | 0 | 0 | 0 | 108.3 | S27 L28 R29 | I25-S27 WeakPolarHBondContact CG2-OG 3.32Å; I25-S27 PolarHBondContact O-N 3.09Å; I25-L28 HydrophobicContact CB-CB 4.19Å; I25-L28 HydrophobicContact CB-CD1 3.95Å; I25-L28 HydrophobicContact CB-CG 4.02Å; I25-L28 HydrophobicContact CD1-CD1 3.73Å; I25-L28 HydrophobicContact CG1-CD1 4.41Å; I25-L28 HydrophobicContact CG2-CB 4.17Å; I25-L28 HydrophobicContact CG2-CD1 4.08Å; I25-L28 HydrophobicContact CG2-CG 3.74Å; I25-L28 PolarHBondContact O-N 3.4Å; I25-R29 PolarHBondContact O-N 2.74Å | ||
| 26 | P | 62.5 | Low | 60.6 | Low | 87 Ų | 87 | 128.9 Ų | 128.9 | 57% | 0.565 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.4 | -29.2 | -177.8 | 20.4 | -30.4 | 0 | 0 | 0 | 112.6 | R24 L28 R29 M30 | R24-P26 WeakPolarHBondContact O-CD 3.16Å; P26-L28 PolarHBondContact O-N 2.79Å; P26-R29 PolarHBondContact O-N 2.99Å; P26-M30 PolarHBondContact O-N 3.38Å |
| 27 | S | 64 | Low | 60.5 | Low | 75 Ų | 75 | 124.6 Ų | 124.6 | 52% | 0.524 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.2 | -30.3 | 175.1 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | I25 L31 | I25-S27 WeakPolarHBondContact CG2-OG 3.32Å; I25-S27 PolarHBondContact O-N 3.09Å; S27-L31 VanDerWaalsContact O-CB 3.32Å; S27-L31 WeakPolarHBondContact O-CB 3.14Å; S27-L31 PolarHBondContact O-N 3.34Å |
| 28 | L | 67.3 | Low | 61.2 | Low | 91 Ų | 91 | 123.3 Ų | 123.3 | 48% | 0.476 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -76.7 | -33.6 | 174.5 | -70.3 | -179.5 | 0 | 0 | 0 | 111.8 | I25 P26 L31 R32 | I25-L28 HydrophobicContact CB-CB 4.19Å; I25-L28 HydrophobicContact CB-CD1 3.95Å; I25-L28 HydrophobicContact CB-CG 4.02Å; I25-L28 HydrophobicContact CD1-CD1 3.73Å; I25-L28 HydrophobicContact CG1-CD1 4.41Å; I25-L28 HydrophobicContact CG2-CB 4.17Å; I25-L28 HydrophobicContact CG2-CD1 4.08Å; I25-L28 HydrophobicContact CG2-CG 3.74Å; I25-L28 PolarHBondContact O-N 3.4Å; P26-L28 PolarHBondContact O-N 2.79Å; L28-L31 PolarHBondContact O-N 2.67Å; L28-R32 WeakPolarHBondContact O-CB 3.39Å; L28-R32 PolarHBondContact O-N 2.68Å |
| 29 | R | 65.1 | Low | 61.7 | Low | 138 Ų | 138 | 117.7 Ų | 117.7 | 52% | 0.521 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.1 | -47.1 | 172.6 | -171.9 | -178.9 | -67.8 | 147.8 | 0.7 | 110.9 | I25 P26 R32 S33 D41 | I25-R29 PolarHBondContact O-N 2.74Å; P26-R29 PolarHBondContact O-N 2.99Å; R29-R32 PolarHBondContact O-N 2.94Å; R29-S33 PolarHBondContact O-N 3.01Å; R29-D41 IonicContact NE-OD2 3.89Å |
| 30 | M | 65.9 | Low | 61.7 | Low | 115 Ų | 115 | 112.3 Ų | 112.3 | 57% | 0.567 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.5 | -43.9 | 174.3 | -82.8 | -164.5 | -87.5 | 0 | 0 | 111.8 | P26 R32 S33 F34 | P26-M30 PolarHBondContact O-N 3.38Å; M30-R32 VanDerWaalsContact C-N 3.28Å; M30-R32 PolarHBondContact O-N 3.36Å; M30-S33 WeakPolarHBondContact CA-OG 3.12Å; M30-S33 PolarHBondContact O-N 2.86Å; M30-S33 PolarHBondContact O-OG 2.92Å; M30-F34 HydrophobicContact CB-CE2 4.42Å; M30-F34 WeakPolarHBondContact O-CD2 3.38Å; M30-F34 PolarHBondContact O-N 3.36Å |
| 31 | L | 71.5 | Confident | 61.5 | Low | 88 Ų | 88 | 106.9 Ų | 106.9 | 46% | 0.461 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62 | -38.3 | 177.4 | -169 | 64.9 | 0 | 0 | 0 | 111.8 | S27 L28 F34 F35 | S27-L31 VanDerWaalsContact O-CB 3.32Å; S27-L31 WeakPolarHBondContact O-CB 3.14Å; S27-L31 PolarHBondContact O-N 3.34Å; L28-L31 PolarHBondContact O-N 2.67Å; L31-F34 PolarHBondContact O-N 3.21Å; L31-F35 HydrophobicContact CD1-CD2 4.32Å; L31-F35 HydrophobicContact CD1-CE2 3.65Å; L31-F35 HydrophobicContact CG-CD2 4.17Å; L31-F35 HydrophobicContact CG-CE2 3.82Å; L31-F35 WeakPolarHBondContact O-CD2 3.32Å; L31-F35 PolarHBondContact O-N 2.81Å |
| 32 | R | 64.2 | Low | 60.9 | Low | 119 Ų | 119 | 106.7 Ų | 106.7 | 45% | 0.449 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.7 | -42.9 | 176.1 | -165 | 170.2 | 179 | -166.9 | -2.5 | 111.3 | L28 R29 M30 F34 F35 T36 | L28-R32 WeakPolarHBondContact O-CB 3.39Å; L28-R32 PolarHBondContact O-N 2.68Å; R29-R32 PolarHBondContact O-N 2.94Å; M30-R32 VanDerWaalsContact C-N 3.28Å; M30-R32 PolarHBondContact O-N 3.36Å; R32-F34 PolarHBondContact O-N 2.77Å; R32-F35 PolarHBondContact O-N 3.24Å; R32-T36 HydrophobicContact CG-CG2 4.23Å; R32-T36 PolarHBondContact O-N 3.27Å; R32-T36 PolarHBondContact O-OG1 2.82Å |
| 33 | S | 66.9 | Low | 60.5 | Low | 64 Ų | 64 | 114.5 Ų | 114.5 | 45% | 0.448 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.1 | -19.6 | 175 | 69.3 | 0 | 0 | 0 | 0 | 114.2 | R29 M30 T36 | R29-S33 PolarHBondContact O-N 3.01Å; M30-S33 WeakPolarHBondContact CA-OG 3.12Å; M30-S33 PolarHBondContact O-N 2.86Å; M30-S33 PolarHBondContact O-OG 2.92Å; S33-T36 CarbonylContact C-O 3.55Å |
| 34 | F | 65 | Low | 60.2 | Low | 134 Ų | 134 | 111.2 Ų | 111.2 | 59% | 0.588 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76.7 | -22.5 | 171.4 | -80.2 | -69.2 | 0 | 0 | 0 | 113.6 | M30 L31 R32 R71 | M30-F34 HydrophobicContact CB-CE2 4.42Å; M30-F34 WeakPolarHBondContact O-CD2 3.38Å; M30-F34 PolarHBondContact O-N 3.36Å; L31-F34 PolarHBondContact O-N 3.21Å; R32-F34 PolarHBondContact O-N 2.77Å; F34-R71 PolarHBondContact O-NH1 3.27Å |
| 35 | F | 64.5 | Low | 59.5 | Low | 152 Ų | 152 | 106.9 Ų | 106.9 | 67% | 0.667 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -106.8 | -35.2 | -176.7 | -72.6 | -64.5 | 0 | 0 | 0 | 113.9 | L31 R32 | L31-F35 HydrophobicContact CD1-CD2 4.32Å; L31-F35 HydrophobicContact CD1-CE2 3.65Å; L31-F35 HydrophobicContact CG-CD2 4.17Å; L31-F35 HydrophobicContact CG-CE2 3.82Å; L31-F35 WeakPolarHBondContact O-CD2 3.32Å; L31-F35 PolarHBondContact O-N 2.81Å; R32-F35 PolarHBondContact O-N 3.24Å |
| 36 | T | 61 | Low | 58.3 | Low | 62 Ų | 62 | 108.4 Ų | 108.4 | 38% | 0.38 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -92.9 | 127.9 | 169.3 | 60.6 | 0 | 0 | 0 | 0 | 107 | R32 S33 G38 | R32-T36 HydrophobicContact CG-CG2 4.23Å; R32-T36 PolarHBondContact O-N 3.27Å; R32-T36 PolarHBondContact O-OG1 2.82Å; S33-T36 CarbonylContact C-O 3.55Å; T36-G38 PolarHBondContact O-N 3.48Å |
| 37 | D | 53.6 | Low | 57.6 | Low | 131 Ų | 131 | 113.7 Ų | 113.7 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | trans | -47.4 | 138.2 | 165.9 | 74.9 | 63.2 | 0 | 0 | 0 | 108.1 | S39 | D37-S39 WeakPolarHBondContact O-CB 3.34Å; D37-S39 PolarHBondContact O-N 3.44Å; D37-S39 WeakPolarHBondContact OD1-CB 3.36Å | ||
| 38 | G | 58 | Low | 56.7 | Low | 74 Ų | 74 | 117.3 Ų | 117.3 | 76% | 0.763 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -64.7 | 64.4 | -160.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | T36 | T36-G38 PolarHBondContact O-N 3.48Š|
| 39 | S | 61.3 | Low | 55.4 | Low | 61 Ų | 61 | 116.8 Ų | 116.8 | 43% | 0.427 | 64% | 0.638 | S | S | . | * | trans | -122.2 | -22.8 | -159.6 | 173.2 | 0 | 0 | 0 | 0 | 115 | D37 | D37-S39 WeakPolarHBondContact O-CB 3.34Å; D37-S39 PolarHBondContact O-N 3.44Å; D37-S39 WeakPolarHBondContact OD1-CB 3.36Å | ||
| 40 | L | 54.1 | Low | 54.7 | Low | 122 Ų | 122 | 118.3 Ų | 118.3 | 64% | 0.639 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -94.2 | -10.1 | -167 | -157.9 | 58.8 | 0 | 0 | 0 | 117.5 | ||
| 41 | D | 49.2 | Very low | 53.8 | Low | 114 Ų | 114 | 116.7 Ų | 116.7 | 61% | 0.61 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -110.1 | -2.1 | -177.3 | -66.9 | -8.9 | 0 | 0 | 0 | 114 | R29 | R29-D41 IonicContact NE-OD2 3.89Š|
| 42 | S | 50.1 | Low | 52.5 | Low | 102 Ų | 102 | 118.5 Ų | 118.5 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | trans | -96.9 | 1.3 | -174.8 | -127.3 | 0 | 0 | 0 | 0 | 115.4 | G44 | S42-G44 PolarHBondContact O-N 2.97Š| ||
| 43 | W | 48.3 | Very low | 51.7 | Low | 247 Ų | 247 | 118.6 Ų | 118.6 | 94% | 0.936 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -89.4 | 36.1 | 176.4 | -77 | 70.2 | 0 | 0 | 0 | 112.8 | ||
| 44 | G | 50 | Low | 51.2 | Low | 48 Ų | 48 | 123.7 Ų | 123.7 | 50% | 0.495 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -136.4 | 104.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | S42 | S42-G44 PolarHBondContact O-N 2.97Š|
| 45 | T | 43.4 | Very low | 50.8 | Low | 145 Ų | 145 | 126.5 Ų | 126.5 | 89% | 0.89 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 64.8 | 87.6 | 165.9 | 63.2 | 0 | 0 | 0 | 0 | 116.7 | ||
| 46 | S | 38.3 | Very low | 49.7 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | -160.3 | 81.5 | 138.2 | 66.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 47 | E | 47.5 | Very low | 49.2 | Very low | 197 Ų | 197 | 130.6 Ų | 130.6 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | -62.3 | 138.1 | 144.1 | -54.4 | 170.5 | 111.9 | 0 | 0 | 105.6 | ||||
| 48 | D | 46.2 | Very low | 49.4 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | 90.3 | 93.4 | -178.9 | -155 | 38.4 | 0 | 0 | 0 | 116.8 | ||||
| 49 | A | 39.6 | Very low | 48.8 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 66% | 0.661 | 75% | 0.747 | S | S | * | * | 169.1 | 113.4 | 104.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | A51 | A49-A51 PolarHBondContact O-N 3.49Š| |||
| 50 | D | 50.3 | Low | 48.5 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 90% | 0.904 | 76% | 0.759 | S | S | * | * | trans | -48.3 | 105.7 | 164 | -72.4 | -79.9 | 0 | 0 | 0 | 111.9 | ||||
| 51 | A | 47.2 | Very low | 48.4 | Very low | 82 Ų | 82 | 136.3 Ų | 136.3 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -139.7 | 106.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | A49 S53 | A49-A51 PolarHBondContact O-N 3.49Å; A51-S53 VanDerWaalsContact C-N 3.32Å; A51-S53 PolarHBondContact O-N 3Å | ||
| 52 | P | 44.8 | Very low | 48.6 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -69.6 | 95.5 | 172.5 | 27.9 | -31.1 | 0 | 0 | 0 | 107.9 | K54 | P52-K54 VanDerWaalsContact C-N 3.28Å; P52-K54 PolarHBondContact O-N 3.19Å | ||
| 53 | S | 46.3 | Very low | 48.6 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | -62.4 | 93.8 | 173.9 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | A51 R55 | A51-S53 VanDerWaalsContact C-N 3.32Å; A51-S53 PolarHBondContact O-N 3Å; S53-R55 PolarHBondContact O-N 3.36Å | ||
| 54 | K | 56.3 | Low | 48.9 | Very low | 171 Ų | 171 | 128.3 Ų | 128.3 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | -72.8 | 109.6 | -177.7 | -173.6 | 169.8 | -178.3 | 175.3 | 0 | 108.5 | P52 | P52-K54 VanDerWaalsContact C-N 3.28Å; P52-K54 PolarHBondContact O-N 3.19Å | ||
| 55 | R | 57.3 | Low | 49.1 | Very low | 193 Ų | 193 | 130.1 Ų | 130.1 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | trans | 76.6 | 108.7 | 164.1 | -56.6 | 173.7 | 179.6 | -147.8 | -1.7 | 114.2 | S53 | S53-R55 PolarHBondContact O-N 3.36Š| ||
| 56 | H | 41.1 | Very low | 49.5 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 89% | 0.894 | 76% | 0.76 | S | S | * | * | -150.2 | 98.7 | 103.2 | -73.2 | -59.2 | 0 | 0 | 0 | 108.4 | T58 | H56-T58 PolarHBondContact O-N 3.27Š| |||
| 57 | S | 50.4 | Low | 50.6 | Low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -57 | 117.5 | 167.4 | -68.7 | 0 | 0 | 0 | 0 | 109.4 | S59 | S57-S59 PolarHBondContact O-N 2.83Š| ||
| 58 | T | 58.3 | Low | 51.8 | Low | 112 Ų | 112 | 128.5 Ų | 128.5 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | trans | 27 | 83.1 | 134.5 | 61.7 | 0 | 0 | 0 | 0 | 114.7 | H56 D60 | H56-T58 PolarHBondContact O-N 3.27Å; T58-D60 VanDerWaalsContact C-N 3.28Å | ||
| 59 | S | 46 | Very low | 53.5 | Low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | trans | -94.7 | 79.6 | 139 | -82.1 | 0 | 0 | 0 | 0 | 106.7 | S57 L61 | S57-S59 PolarHBondContact O-N 2.83Å; S59-L61 PolarHBondContact O-N 3.06Å | ||
| 60 | D | 53.4 | Low | 55.7 | Low | 126 Ų | 126 | 127.2 Ų | 127.2 | 67% | 0.674 | 71% | 0.705 | S | S | * | * | trans | -60.5 | 82.1 | 148.4 | -73.8 | -55.9 | 0 | 0 | 0 | 106.6 | T58 S62 | T58-D60 VanDerWaalsContact C-N 3.28Å; D60-S62 PolarHBondContact O-N 3.01Å | ||
| 61 | L | 52 | Low | 57.5 | Low | 157 Ų | 157 | 126.8 Ų | 126.8 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | -75.5 | 60.2 | 154.1 | -71.7 | 172.8 | 0 | 0 | 0 | 107.1 | S59 D63 | S59-L61 PolarHBondContact O-N 3.06Å; L61-D63 PolarHBondContact O-N 2.93Å | ||
| 62 | S | 54.8 | Low | 59.7 | Low | 90 Ų | 90 | 127 Ų | 127 | 63% | 0.629 | 68% | 0.677 | S | S | * | * | trans | -88.3 | 46.5 | 155.2 | 56.7 | 0 | 0 | 0 | 0 | 108.2 | D60 A64 | D60-S62 PolarHBondContact O-N 3.01Å; S62-A64 PolarHBondContact O-N 2.86Å | ||
| 63 | D | 49.8 | Very low | 62 | Low | 116 Ų | 116 | 122 Ų | 122 | 62% | 0.62 | 65% | 0.649 | S | S | * | * | trans | -76 | 80.4 | 152.6 | -168.4 | -1.8 | 0 | 0 | 0 | 106 | L61 T65 | L61-D63 PolarHBondContact O-N 2.93Å; D63-T65 PolarHBondContact O-N 2.82Å; D63-T65 PolarHBondContact O-OG1 2.74Å; D63-T65 PolarHBondContact OD1-N 3.47Å; D63-T65 PolarHBondContact OD1-OG1 3.48Å; D63-T65 PolarHBondContact OD2-OG1 2.89Å | ||
| 64 | A | 54.3 | Low | 64.4 | Low | 90 Ų | 90 | 122.4 Ų | 122.4 | 74% | 0.744 | 63% | 0.632 | S | S | * | * | trans | -67.9 | 53.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | S62 F66 | S62-A64 PolarHBondContact O-N 2.86Å; A64-F66 PolarHBondContact O-N 3.22Å | ||
| 65 | T | 55 | Low | 66.3 | Low | 85 Ų | 85 | 118.9 Ų | 118.9 | 52% | 0.521 | 62% | 0.621 | S | S | . | * | trans | -69.9 | 116.4 | 158.8 | 11.2 | 0 | 0 | 0 | 0 | 105.8 | D63 S67 | D63-T65 PolarHBondContact O-N 2.82Å; D63-T65 PolarHBondContact O-OG1 2.74Å; D63-T65 PolarHBondContact OD1-N 3.47Å; D63-T65 PolarHBondContact OD1-OG1 3.48Å; D63-T65 PolarHBondContact OD2-OG1 2.89Å; T65-S67 PolarHBondContact O-N 3.35Å; T65-S67 PolarHBondContact O-OG 2.82Å | ||
| 66 | F | 51.1 | Low | 68 | Low | 219 Ų | 219 | 116.6 Ų | 116.6 | 96% | 0.961 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -30.1 | 62.6 | 176.1 | -68 | -95.6 | 0 | 0 | 0 | 116.5 | A64 | A64-F66 PolarHBondContact O-N 3.22Š|
| 67 | S | 60.4 | Low | 70.4 | Confident | 71 Ų | 71 | 110.8 Ų | 110.8 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | trans | -107.3 | 115.9 | 165.5 | 60.8 | 0 | 0 | 0 | 0 | 104.2 | T65 I69 | T65-S67 PolarHBondContact O-N 3.35Å; T65-S67 PolarHBondContact O-OG 2.82Å; S67-I69 PolarHBondContact O-N 3.04Å | ||
| 68 | D | 73.2 | Confident | 72.2 | Confident | 126 Ų | 126 | 109.7 Ų | 109.7 | 67% | 0.674 | 57% | 0.566 | S | S | * | * | trans | -57.6 | 0.3 | 176.9 | -71.5 | -32.1 | 0 | 0 | 0 | 113.3 | R70 R103 | D68-R70 PolarHBondContact O-N 2.91Å; D68-R103 HydrophobicContact CB-CB 4.17Å; D68-R103 HydrophobicContact CB-CG 4.15Å; D68-R103 WeakPolarHBondContact O-CA 3.22Å | ||
| 69 | I | 81.5 | Confident | 73.6 | Confident | 36 Ų | 36 | 109.6 Ų | 109.6 | 19% | 0.185 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 108.3 | -171.3 | -56.1 | 173.6 | 0 | 0 | 0 | 109.3 | S67 E72 A101 L102 R103 | S67-I69 PolarHBondContact O-N 3.04Å; I69-E72 HydrophobicContact CG2-CB 3.84Å; I69-E72 HydrophobicContact CG2-CG 4.14Å; I69-A101 HydrophobicContact CD1-CB 4.34Å; I69-A101 HydrophobicContact CG1-CB 4.49Å; I69-A101 HydrophobicContact CG2-CB 4.16Å; I69-L102 CarbonylContact C-O 3.56Å; I69-L102 WeakPolarHBondContact CA-O 3.38Å; I69-R103 HydrophobicContact CB-CG 4.4Å; I69-R103 HydrophobicContact CG1-CG 3.68Å |
| 70 | R | 87.3 | Confident | 75.4 | Confident | 170 Ų | 170 | 109.6 Ų | 109.6 | 64% | 0.642 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -34.4 | 177.8 | -64.7 | 169.9 | 62.7 | -161.3 | 1.1 | 112.2 | D68 L102 A104 | D68-R70 PolarHBondContact O-N 2.91Å; R70-L102 PolarHBondContact N-O 2.72Å; R70-A104 PolarHBondContact NH1-O 3Å |
| 71 | R | 88.2 | Confident | 76.5 | Confident | 159 Ų | 159 | 108.5 Ų | 108.5 | 60% | 0.6 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 141.7 | 179.8 | -64.9 | -170.1 | 178.1 | 171 | -0.1 | 109.4 | F34 L102 | F34-R71 PolarHBondContact O-NH1 3.27Å; R71-L102 PolarHBondContact O-N 3.14Å |
| 72 | E | 92.6 | Very high | 77.4 | Confident | 87 Ų | 87 | 106.2 Ų | 106.2 | 41% | 0.407 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 156.2 | 174.2 | 57.8 | 176.8 | -149.3 | 0 | 0 | 112.5 | I69 Y99 A100 A101 R113 | I69-E72 HydrophobicContact CG2-CB 3.84Å; I69-E72 HydrophobicContact CG2-CG 4.14Å; E72-Y99 HydrophobicContact CB-CE1 4.18Å; E72-Y99 WeakPolarHBondContact CB-OH 3.42Å; E72-Y99 VanDerWaalsContact CG-OH 3.28Å; E72-Y99 WeakPolarHBondContact CG-OH 3.49Å; E72-Y99 PolarHBondContact OE1-OH 2.84Å; E72-Y99 PolarHBondContact OE2-OH 3.06Å; E72-A100 CarbonylContact C-O 3.55Å; E72-A100 WeakPolarHBondContact CA-O 3.35Å; E72-A101 HydrophobicContact CB-CB 4.22Å; E72-R113 IonicContact OE1-NH2 3.98Å |
| 73 | G | 93.7 | Very high | 78.4 | Confident | 22 Ų | 22 | 107.9 Ų | 107.9 | 23% | 0.227 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.9 | 174.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A100 | G73-A100 PolarHBondContact N-O 3.29Å; G73-A100 PolarHBondContact O-N 3.33Å |
| 74 | W | 96.1 | Very high | 79.4 | Confident | 128 Ų | 128 | 112.7 Ų | 112.7 | 49% | 0.485 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 125.2 | 174.8 | -70 | 101 | 0 | 0 | 0 | 111.1 | R97 V98 Y99 | W74-R97 HydrophobicContact CE3-CG 3.96Å; W74-V98 WeakPolarHBondContact CA-O 3.43Å; W74-Y99 HydrophobicContact CD2-CD2 4.13Å; W74-Y99 HydrophobicContact CG-CD2 4.33Å |
| 75 | L | 94.9 | Very high | 80.2 | Confident | 97 Ų | 97 | 112.4 Ų | 112.4 | 51% | 0.508 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.9 | 152.3 | 176.8 | -60.9 | 179.7 | 0 | 0 | 0 | 111 | R97 V98 A100 | L75-R97 CarbonylContact O-C 3.57Å; L75-R97 WeakPolarHBondContact O-CA 3.19Å; L75-V98 PolarHBondContact N-O 2.84Å; L75-V98 PolarHBondContact O-N 2.85Å; L75-V98 VanDerWaalsContact O-O 3.13Å; L75-A100 HydrophobicContact CD1-CB 3.6Å; L75-A100 HydrophobicContact CG-CB 4.1Å |
| 76 | Y | 94.2 | Very high | 81.1 | Confident | 145 Ų | 145 | 115.6 Ų | 115.6 | 57% | 0.569 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.7 | 162.7 | -73 | -95.3 | 0 | 0 | 0 | 108.7 | W95 K96 R97 | Y76-W95 HydrophobicContact CD1-CB 4.39Å; Y76-W95 WeakPolarHBondContact O-CZ3 3.42Å; Y76-K96 CarbonylContact C-O 3.57Å; Y76-K96 WeakPolarHBondContact CA-O 3.06Å; Y76-R97 HydrophobicContact CD1-CB 4.02Å; Y76-R97 HydrophobicContact CE1-CB 3.71Å; Y76-R97 HydrophobicContact CE1-CG 4.23Å; Y76-R97 HydrophobicContact CE2-CG 4.18Å |
| 77 | Y | 90.4 | Very high | 81.9 | Confident | 71 Ų | 71 | 115 Ų | 115 | 28% | 0.278 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.4 | 151.9 | 178.9 | 90.5 | -83.5 | 0 | 0 | 0 | 111.9 | Q79 K96 V98 L109 | Y77-Q79 HydrophobicContact CE2-CB 4.16Å; Y77-K96 HydrophobicContact CD1-CB 4.05Å; Y77-K96 HydrophobicContact CD1-CG 4.47Å; Y77-K96 WeakPolarHBondContact CD1-O 3.49Å; Y77-K96 HydrophobicContact CE1-CB 3.75Å; Y77-K96 HydrophobicContact CE1-CD 3.79Å; Y77-K96 HydrophobicContact CE1-CG 3.88Å; Y77-K96 PolarHBondContact N-O 3.23Å; Y77-K96 PolarHBondContact O-N 2.83Å; Y77-V98 HydrophobicContact CD1-CB 4.24Å; Y77-V98 HydrophobicContact CD1-CG1 3.7Å; Y77-V98 HydrophobicContact CD1-CG2 3.48Å; Y77-V98 VanDerWaalsContact CD1-CG2 3.48Å; Y77-V98 HydrophobicContact CE1-CB 4.39Å; Y77-V98 HydrophobicContact CE1-CG1 3.42Å; Y77-V98 VanDerWaalsContact CE1-CG1 3.42Å; Y77-V98 HydrophobicContact CE1-CG2 4.06Å; Y77-V98 HydrophobicContact CG-CG2 4.36Å; Y77-L109 HydrophobicContact CD2-CD1 4.47Å; Y77-L109 HydrophobicContact CG-CD1 4.49Å |
| 78 | K | 89.9 | Confident | 82.1 | Confident | 84 Ų | 84 | 114.4 Ų | 114.4 | 37% | 0.365 | 55% | 0.554 | S | S | . | * | trans | -134.9 | 114.9 | 168.8 | -177.6 | 176.8 | 66 | 176.6 | 0 | 108.4 | I80 R93 W95 | K78-I80 PolarHBondContact O-N 2.82Å; K78-R93 WeakPolarHBondContact CD-O 3.49Å; K78-R93 HydrophobicContact CG-CB 4.24Å; K78-R93 WeakPolarHBondContact CG-O 2.95Å; K78-W95 HydrophobicContact CB-CD2 4.21Å; K78-W95 HydrophobicContact CB-CE3 4.08Å; K78-W95 HydrophobicContact CB-CZ3 4.32Å | ||
| 79 | Q | 87.2 | Confident | 81.4 | Confident | 111 Ų | 111 | 112 Ų | 112 | 52% | 0.519 | 56% | 0.559 | S | S | . | * | trans | -74.2 | 118.4 | 178.3 | -177.8 | 176.3 | -22 | 0 | 0 | 110.3 | Y77 | Y77-Q79 HydrophobicContact CE2-CB 4.16Š| ||
| 80 | I | 83.4 | Confident | 80.4 | Confident | 111 Ų | 111 | 113.9 Ų | 113.9 | 57% | 0.569 | 58% | 0.575 | S | S | * | * | trans | -98.1 | 109.8 | 172.6 | -55.2 | 176.2 | 0 | 0 | 0 | 107 | K78 T82 | K78-I80 PolarHBondContact O-N 2.82Å; I80-T82 HydrophobicContact CG2-CG2 4.22Å; I80-T82 PolarHBondContact O-N 3.25Å | ||
| 81 | L | 76.4 | Confident | 79.3 | Confident | 103 Ų | 103 | 108.3 Ų | 108.3 | 54% | 0.539 | 57% | 0.571 | S | S | . | * | trans | -83.9 | 109.4 | 178.5 | -177.7 | 67.1 | 0 | 0 | 0 | 109.7 | K83 | L81-K83 HydrophobicContact CD1-CG 4.26Å; L81-K83 HydrophobicContact CD2-CG 4.29Å; L81-K83 HydrophobicContact CG-CG 4.17Å | ||
| 82 | T | 71.8 | Confident | 78 | Confident | 109 Ų | 109 | 109.2 Ų | 109.2 | 67% | 0.669 | 59% | 0.587 | S | S | * | * | trans | -105.1 | 78 | 173 | 50.3 | 0 | 0 | 0 | 0 | 109.6 | I80 K84 | I80-T82 HydrophobicContact CG2-CG2 4.22Å; I80-T82 PolarHBondContact O-N 3.25Å; T82-K84 PolarHBondContact O-N 3.01Å | ||
| 83 | K | 74.8 | Confident | 77.3 | Confident | 125 Ų | 125 | 112.5 Ų | 112.5 | 54% | 0.543 | 60% | 0.595 | S | S | . | * | trans | -68.3 | 115.7 | 165.1 | -74.9 | -169.6 | 175.3 | -174.5 | 0 | 107.7 | L81 G85 K86 | L81-K83 HydrophobicContact CD1-CG 4.26Å; L81-K83 HydrophobicContact CD2-CG 4.29Å; L81-K83 HydrophobicContact CG-CG 4.17Å; K83-G85 PolarHBondContact O-N 2.98Å; K83-K86 HydrophobicContact CB-CB 4.41Å; K83-K86 HydrophobicContact CB-CG 4.49Å; K83-K86 PolarHBondContact O-N 2.63Å | ||
| 84 | K | 71.7 | Confident | 77 | Confident | 218 Ų | 218 | 119.6 Ų | 119.6 | 95% | 0.948 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.9 | 124.4 | 173.4 | -173 | -177.2 | 178.7 | -173.8 | 0 | 108.8 | T82 | T82-K84 PolarHBondContact O-N 3.01Š|
| 85 | G | 71.1 | Confident | 76.8 | Confident | 84 Ų | 84 | 121.3 Ų | 121.3 | 87% | 0.866 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.1 | -5.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | K83 | K83-G85 PolarHBondContact O-N 2.98Š|
| 86 | K | 73.1 | Confident | 76.7 | Confident | 151 Ų | 151 | 120.8 Ų | 120.8 | 66% | 0.657 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -104.7 | 123.7 | 164.3 | -63.3 | -163.7 | 178 | -163.8 | 0 | 108.2 | K83 A88 | K83-K86 HydrophobicContact CB-CB 4.41Å; K83-K86 HydrophobicContact CB-CG 4.49Å; K83-K86 PolarHBondContact O-N 2.63Å; K86-A88 PolarHBondContact O-N 3.24Å; K86-A88 VanDerWaalsContact O-N 3.09Å |
| 87 | K | 68.7 | Low | 76.7 | Confident | 208 Ų | 208 | 120.4 Ų | 120.4 | 90% | 0.904 | 62% | 0.62 | S | S | * | * | trans | -49.1 | 124.7 | 166.3 | -162.1 | 172.5 | -172.5 | 176.9 | 0 | 105.3 | G89 | K87-G89 PolarHBondContact O-N 2.82Š| ||
| 88 | A | 63.8 | Low | 76.9 | Confident | 58 Ų | 58 | 117.3 Ų | 117.3 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | trans | -62.4 | 84.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | K86 S90 | K86-A88 PolarHBondContact O-N 3.24Å; K86-A88 VanDerWaalsContact O-N 3.09Å; A88-S90 PolarHBondContact O-N 3.02Å | ||
| 89 | G | 59.7 | Low | 77.1 | Confident | 75 Ų | 75 | 113.9 Ų | 113.9 | 77% | 0.773 | 59% | 0.593 | S | S | * | * | trans | -67.6 | 80.8 | 163 | 0 | 0 | 0 | 0 | 0 | 104.6 | K87 G91 | K87-G89 PolarHBondContact O-N 2.82Å; G89-G91 PolarHBondContact O-N 2.72Å | ||
| 90 | S | 60.4 | Low | 77.5 | Confident | 75 Ų | 75 | 108.8 Ų | 108.8 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | trans | -59.9 | 83.1 | 169.4 | 166 | 0 | 0 | 0 | 0 | 106.3 | A88 L92 | A88-S90 PolarHBondContact O-N 3.02Å; S90-L92 PolarHBondContact O-N 2.95Å | ||
| 91 | G | 62.9 | Low | 77.9 | Confident | 54 Ų | 54 | 103.8 Ų | 103.8 | 56% | 0.557 | 55% | 0.545 | S | S | * | . | trans | -49 | 129.1 | 161 | 0 | 0 | 0 | 0 | 0 | 106.6 | G89 R93 | G89-G91 PolarHBondContact O-N 2.72Å; G91-R93 PolarHBondContact O-N 3.15Å | ||
| 92 | L | 62.3 | Low | 78.7 | Confident | 178 Ų | 178 | 101.3 Ų | 101.3 | 93% | 0.932 | 53% | 0.532 | S | S | * | . | trans | -62 | 76.6 | -173.8 | -66.1 | 165.2 | 0 | 0 | 0 | 110.1 | S90 Q94 | S90-L92 PolarHBondContact O-N 2.95Å; L92-Q94 PolarHBondContact O-N 3.2Å | ||
| 93 | R | 76.6 | Confident | 79.6 | Confident | 155 Ų | 155 | 101.3 Ų | 101.3 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 118.9 | 173.8 | -71.4 | -168.4 | -174.2 | -80.8 | 0.2 | 107.4 | K78 G91 | K78-R93 WeakPolarHBondContact CD-O 3.49Å; K78-R93 HydrophobicContact CG-CB 4.24Å; K78-R93 WeakPolarHBondContact CG-O 2.95Å; G91-R93 PolarHBondContact O-N 3.15Å |
| 94 | Q | 86.7 | Confident | 80.2 | Confident | 172 Ų | 172 | 98.4 Ų | 98.4 | 80% | 0.804 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 149.4 | 170.7 | 60.2 | -173.2 | -12.6 | 0 | 0 | 111 | L92 K96 | L92-Q94 PolarHBondContact O-N 3.2Å; Q94-K96 PolarHBondContact O-N 2.58Å |
| 95 | W | 92.6 | Very high | 81.1 | Confident | 164 Ų | 164 | 99.5 Ų | 99.5 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -62 | 133.3 | 170.3 | -70.5 | 96.5 | 0 | 0 | 0 | 109.6 | Y76 K78 | Y76-W95 HydrophobicContact CD1-CB 4.39Å; Y76-W95 WeakPolarHBondContact O-CZ3 3.42Å; K78-W95 HydrophobicContact CB-CD2 4.21Å; K78-W95 HydrophobicContact CB-CE3 4.08Å; K78-W95 HydrophobicContact CB-CZ3 4.32Å |
| 96 | K | 92.8 | Very high | 82 | Confident | 85 Ų | 85 | 99.6 Ų | 99.6 | 37% | 0.37 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.1 | 179.6 | -179.4 | 173.1 | 170.6 | -177.6 | 0 | 110.2 | Y76 Y77 Q94 V98 | Y76-K96 CarbonylContact C-O 3.57Å; Y76-K96 WeakPolarHBondContact CA-O 3.06Å; Y77-K96 HydrophobicContact CD1-CB 4.05Å; Y77-K96 HydrophobicContact CD1-CG 4.47Å; Y77-K96 WeakPolarHBondContact CD1-O 3.49Å; Y77-K96 HydrophobicContact CE1-CB 3.75Å; Y77-K96 HydrophobicContact CE1-CD 3.79Å; Y77-K96 HydrophobicContact CE1-CG 3.88Å; Y77-K96 PolarHBondContact N-O 3.23Å; Y77-K96 PolarHBondContact O-N 2.83Å; Q94-K96 PolarHBondContact O-N 2.58Å; K96-V98 HydrophobicContact CD-CG1 4.48Å; K96-V98 HydrophobicContact CG-CG1 4.22Å |
| 97 | R | 94.4 | Very high | 83 | Confident | 138 Ų | 138 | 97.6 Ų | 97.6 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 130.7 | 172.2 | -164.7 | 176.8 | 179.2 | -179.3 | -1.2 | 110.1 | W74 L75 Y76 | W74-R97 HydrophobicContact CE3-CG 3.96Å; L75-R97 CarbonylContact O-C 3.57Å; L75-R97 WeakPolarHBondContact O-CA 3.19Å; Y76-R97 HydrophobicContact CD1-CB 4.02Å; Y76-R97 HydrophobicContact CE1-CB 3.71Å; Y76-R97 HydrophobicContact CE1-CG 4.23Å; Y76-R97 HydrophobicContact CE2-CG 4.18Å |
| 98 | V | 95.1 | Very high | 84.1 | Confident | 5 Ų | 5 | 90.2 Ų | 90.2 | 3% | 0.03 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 156 | 177.3 | -68 | 0 | 0 | 0 | 0 | 110.5 | W74 L75 Y77 K96 L109 | W74-V98 WeakPolarHBondContact CA-O 3.43Å; L75-V98 PolarHBondContact N-O 2.84Å; L75-V98 PolarHBondContact O-N 2.85Å; L75-V98 VanDerWaalsContact O-O 3.13Å; Y77-V98 HydrophobicContact CD1-CB 4.24Å; Y77-V98 HydrophobicContact CD1-CG1 3.7Å; Y77-V98 HydrophobicContact CD1-CG2 3.48Å; Y77-V98 VanDerWaalsContact CD1-CG2 3.48Å; Y77-V98 HydrophobicContact CE1-CB 4.39Å; Y77-V98 HydrophobicContact CE1-CG1 3.42Å; Y77-V98 VanDerWaalsContact CE1-CG1 3.42Å; Y77-V98 HydrophobicContact CE1-CG2 4.06Å; Y77-V98 HydrophobicContact CG-CG2 4.36Å; K96-V98 HydrophobicContact CD-CG1 4.48Å; K96-V98 HydrophobicContact CG-CG1 4.22Å; V98-L109 HydrophobicContact CG2-CD2 4.05Å |
| 99 | Y | 94.3 | Very high | 85.5 | Confident | 12 Ų | 12 | 91.6 Ų | 91.6 | 5% | 0.047 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.4 | 166.6 | -167.6 | -100.3 | 0 | 0 | 0 | 109.2 | E72 W74 S110 R113 | E72-Y99 HydrophobicContact CB-CE1 4.18Å; E72-Y99 WeakPolarHBondContact CB-OH 3.42Å; E72-Y99 VanDerWaalsContact CG-OH 3.28Å; E72-Y99 WeakPolarHBondContact CG-OH 3.49Å; E72-Y99 PolarHBondContact OE1-OH 2.84Å; E72-Y99 PolarHBondContact OE2-OH 3.06Å; W74-Y99 HydrophobicContact CD2-CD2 4.13Å; W74-Y99 HydrophobicContact CG-CD2 4.33Å; Y99-S110 PolarHBondContact N-O 2.95Å; Y99-S110 PolarHBondContact O-N 3.23Å; Y99-S110 PolarHBondContact O-OG 3.48Å; Y99-R113 HydrophobicContact CD2-CB 4.31Å; Y99-R113 HydrophobicContact CE1-CB 4.43Å; Y99-R113 HydrophobicContact CE1-CG 4.08Å; Y99-R113 HydrophobicContact CE2-CB 4.23Å; Y99-R113 HydrophobicContact CE2-CG 4.05Å; Y99-R113 HydrophobicContact CG-CB 4.43Å |
| 100 | A | 94.6 | Very high | 87 | Confident | 4 Ų | 4 | 89.9 Ų | 89.9 | 3% | 0.033 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.2 | -177 | 0 | 0 | 0 | 0 | 0 | 110.1 | E72 G73 L75 L107 S108 L109 | E72-A100 CarbonylContact C-O 3.55Å; E72-A100 WeakPolarHBondContact CA-O 3.35Å; G73-A100 PolarHBondContact N-O 3.29Å; G73-A100 PolarHBondContact O-N 3.33Å; L75-A100 HydrophobicContact CD1-CB 3.6Å; L75-A100 HydrophobicContact CG-CB 4.1Å; A100-L107 HydrophobicContact CB-CD1 4.22Å; A100-S108 WeakPolarHBondContact CA-O 3.28Å; A100-L109 HydrophobicContact CB-CD2 3.84Å |
| 101 | A | 93.3 | Very high | 88.5 | Confident | 6 Ų | 6 | 94.3 Ų | 94.3 | 5% | 0.05 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 122.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I69 E72 S108 | I69-A101 HydrophobicContact CD1-CB 4.34Å; I69-A101 HydrophobicContact CG1-CB 4.49Å; I69-A101 HydrophobicContact CG2-CB 4.16Å; E72-A101 HydrophobicContact CB-CB 4.22Å; A101-S108 PolarHBondContact N-O 2.98Å; A101-S108 PolarHBondContact O-N 2.84Å; A101-S108 PolarHBondContact O-OG 3.34Å; A101-S108 VanDerWaalsContact O-OG 3.06Å |
| 102 | L | 92.8 | Very high | 89.6 | Confident | 51 Ų | 51 | 99 Ų | 99 | 27% | 0.267 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 111.2 | 178.5 | 177.3 | 64.4 | 0 | 0 | 0 | 109.6 | I69 R70 R71 L107 | I69-L102 CarbonylContact C-O 3.56Å; I69-L102 WeakPolarHBondContact CA-O 3.38Å; R70-L102 PolarHBondContact N-O 2.72Å; R71-L102 PolarHBondContact O-N 3.14Å; L102-L107 HydrophobicContact CB-CD1 4.23Å; L102-L107 HydrophobicContact CD1-CD1 4.47Å |
| 103 | R | 90.6 | Very high | 90.4 | Very high | 109 Ų | 109 | 95.9 Ų | 95.9 | 41% | 0.411 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121.8 | 176.7 | -63.3 | -179.3 | -176.1 | -170.3 | -1.6 | 110.5 | D68 I69 R105 S106 | D68-R103 HydrophobicContact CB-CB 4.17Å; D68-R103 HydrophobicContact CB-CG 4.15Å; D68-R103 WeakPolarHBondContact O-CA 3.22Å; I69-R103 HydrophobicContact CB-CG 4.4Å; I69-R103 HydrophobicContact CG1-CG 3.68Å; R103-R105 PolarHBondContact O-N 2.96Å; R103-S106 PolarHBondContact N-O 2.83Å; R103-S106 PolarHBondContact O-N 3.22Å; R103-S106 VanDerWaalsContact O-O 3.08Å |
| 104 | A | 87.6 | Confident | 89.9 | Confident | 64 Ų | 64 | 98.3 Ų | 98.3 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | -98 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R70 | R70-A104 PolarHBondContact NH1-O 3Š|
| 105 | R | 89.6 | Confident | 88.6 | Confident | 241 Ų | 241 | 95.2 Ų | 95.2 | 91% | 0.909 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | 7.5 | 177.7 | -64.2 | -176.4 | -69.4 | 171.6 | -2.3 | 114.1 | R103 | R103-R105 PolarHBondContact O-N 2.96Š|
| 106 | S | 91.3 | Very high | 86.9 | Confident | 87 Ų | 87 | 92.2 Ų | 92.2 | 61% | 0.608 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.5 | -176.7 | -66.1 | 0 | 0 | 0 | 0 | 111 | R103 | R103-S106 PolarHBondContact N-O 2.83Å; R103-S106 PolarHBondContact O-N 3.22Å; R103-S106 VanDerWaalsContact O-O 3.08Å |
| 107 | L | 92.8 | Very high | 84.9 | Confident | 108 Ų | 108 | 90.7 Ų | 90.7 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.5 | 175.8 | -174.3 | 70.4 | 0 | 0 | 0 | 109.4 | A100 L102 L109 | A100-L107 HydrophobicContact CB-CD1 4.22Å; L102-L107 HydrophobicContact CB-CD1 4.23Å; L102-L107 HydrophobicContact CD1-CD1 4.47Å; L107-L109 HydrophobicContact CD2-CD2 4.09Å; L107-L109 HydrophobicContact CG-CD2 4.14Å |
| 108 | S | 92.4 | Very high | 82.6 | Confident | 53 Ų | 53 | 90.2 Ų | 90.2 | 37% | 0.371 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 133.2 | 175.3 | 60.3 | 0 | 0 | 0 | 0 | 110.4 | A100 A101 | A100-S108 WeakPolarHBondContact CA-O 3.28Å; A101-S108 PolarHBondContact N-O 2.98Å; A101-S108 PolarHBondContact O-N 2.84Å; A101-S108 PolarHBondContact O-OG 3.34Å; A101-S108 VanDerWaalsContact O-OG 3.06Å |
| 109 | L | 93.4 | Very high | 80.3 | Confident | 87 Ų | 87 | 94.5 Ų | 94.5 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.2 | 179.3 | -55.3 | -179.6 | 0 | 0 | 0 | 109.2 | Y77 V98 A100 L107 | Y77-L109 HydrophobicContact CD2-CD1 4.47Å; Y77-L109 HydrophobicContact CG-CD1 4.49Å; V98-L109 HydrophobicContact CG2-CD2 4.05Å; A100-L109 HydrophobicContact CB-CD2 3.84Å; L107-L109 HydrophobicContact CD2-CD2 4.09Å; L107-L109 HydrophobicContact CG-CD2 4.14Å |
| 110 | S | 90.7 | Very high | 78 | Confident | 40 Ų | 40 | 98.6 Ų | 98.6 | 28% | 0.28 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 154.5 | -178.1 | 52 | 0 | 0 | 0 | 0 | 110.1 | Y99 E112 | Y99-S110 PolarHBondContact N-O 2.95Å; Y99-S110 PolarHBondContact O-N 3.23Å; Y99-S110 PolarHBondContact O-OG 3.48Å; S110-E112 VanDerWaalsContact C-N 3.29Å; S110-E112 WeakPolarHBondContact CB-O 3.47Å; S110-E112 PolarHBondContact OG-O 2.94Å |
| 111 | K | 90.8 | Very high | 75.7 | Confident | 168 Ų | 168 | 103.7 Ų | 103.7 | 73% | 0.73 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -80.9 | -17.6 | 173.9 | -70.8 | -176.7 | 179.4 | 179.6 | 0 | 112.1 | ||
| 112 | E | 86.1 | Confident | 73.5 | Confident | 151 Ų | 151 | 106.6 Ų | 106.6 | 71% | 0.706 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -130.3 | 148 | -171.9 | -176 | 174 | -167 | 0 | 0 | 109.2 | S110 R114 | S110-E112 VanDerWaalsContact C-N 3.29Å; S110-E112 WeakPolarHBondContact CB-O 3.47Å; S110-E112 PolarHBondContact OG-O 2.94Å; E112-R114 PolarHBondContact O-N 3.5Å; E112-R114 VanDerWaalsContact O-N 3.15Å |
| 113 | R | 78.9 | Confident | 71.3 | Confident | 113 Ų | 113 | 109.2 Ų | 109.2 | 43% | 0.426 | 64% | 0.638 | S | S | . | * | trans | -70.2 | 108.8 | 170.3 | 179.5 | 176.3 | -175 | -136.1 | 0.2 | 107.5 | E72 Y99 E115 | E72-R113 IonicContact OE1-NH2 3.98Å; Y99-R113 HydrophobicContact CD2-CB 4.31Å; Y99-R113 HydrophobicContact CE1-CB 4.43Å; Y99-R113 HydrophobicContact CE1-CG 4.08Å; Y99-R113 HydrophobicContact CE2-CB 4.23Å; Y99-R113 HydrophobicContact CE2-CG 4.05Å; Y99-R113 HydrophobicContact CG-CB 4.43Å; R113-E115 VanDerWaalsContact C-N 3.34Å; R113-E115 VanDerWaalsContact CD-OE1 3.25Å; R113-E115 WeakPolarHBondContact CD-OE1 3.25Å; R113-E115 IonicContact CZ-OE1 3.05Å; R113-E115 IonicContact CZ-OE2 3.74Å; R113-E115 IonicContact NE-OE1 3.3Å; R113-E115 PolarHBondContact NE-OE1 3.3Å; R113-E115 IonicContact NH1-OE1 2.59Å; R113-E115 PolarHBondContact NH1-OE1 2.88Å; R113-E115 IonicContact NH1-OE2 3.5Å; R113-E115 PolarHBondContact NH1-OE2 3.22Å; R113-E115 IonicContact NH2-OE1 3.96Å; R113-E115 IonicContact NH2-OE2 3.95Å; R113-E115 PolarHBondContact O-N 2.59Å | ||
| 114 | R | 67.7 | Low | 68.8 | Low | 207 Ų | 207 | 108.9 Ų | 108.9 | 78% | 0.781 | 66% | 0.658 | S | S | * | * | trans | -72.9 | 97.1 | 168.8 | -171.9 | 169.5 | -178.8 | 151 | 0.2 | 106.8 | E112 | E112-R114 PolarHBondContact O-N 3.5Å; E112-R114 VanDerWaalsContact O-N 3.15Å | ||
| 115 | E | 59.3 | Low | 66.5 | Low | 106 Ų | 106 | 110.6 Ų | 110.6 | 50% | 0.495 | 67% | 0.672 | S | S | . | * | trans | -51.1 | 137.3 | 165.6 | -69.4 | -58.7 | 135.4 | 0 | 0 | 107.9 | R113 G117 | R113-E115 VanDerWaalsContact C-N 3.34Å; R113-E115 VanDerWaalsContact CD-OE1 3.25Å; R113-E115 WeakPolarHBondContact CD-OE1 3.25Å; R113-E115 IonicContact CZ-OE1 3.05Å; R113-E115 IonicContact CZ-OE2 3.74Å; R113-E115 IonicContact NE-OE1 3.3Å; R113-E115 PolarHBondContact NE-OE1 3.3Å; R113-E115 IonicContact NH1-OE1 2.59Å; R113-E115 PolarHBondContact NH1-OE1 2.88Å; R113-E115 IonicContact NH1-OE2 3.5Å; R113-E115 PolarHBondContact NH1-OE2 3.22Å; R113-E115 IonicContact NH2-OE1 3.96Å; R113-E115 IonicContact NH2-OE2 3.95Å; R113-E115 PolarHBondContact O-N 2.59Å; E115-G117 PolarHBondContact O-N 3.05Å | ||
| 116 | P | 55.8 | Low | 64.4 | Low | 102 Ų | 102 | 104.2 Ų | 104.2 | 66% | 0.662 | 67% | 0.671 | S | S | * | * | trans | -64.2 | 84 | 165.7 | 27 | -30 | 0 | 0 | 0 | 107.3 | ||||
| 117 | G | 50.5 | Low | 62 | Low | 53 Ų | 53 | 103.9 Ų | 103.9 | 55% | 0.546 | 68% | 0.681 | S | S | . | * | trans | -55.5 | 135.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | E115 A119 | E115-G117 PolarHBondContact O-N 3.05Å; G117-A119 PolarHBondContact O-N 3.18Å; G117-A119 VanDerWaalsContact O-N 3.14Å | ||
| 118 | P | 45.9 | Very low | 59.4 | Low | 127 Ų | 127 | 104 Ų | 104 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | trans | -50 | 128.5 | -178 | 22.1 | -32.6 | 0 | 0 | 0 | 107.6 | A120 | P118-A120 PolarHBondContact O-N 3.27Š| ||
| 119 | A | 48.2 | Very low | 56.7 | Low | 95 Ų | 95 | 108.8 Ų | 108.8 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -41.9 | 120.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | G117 A121 | G117-A119 PolarHBondContact O-N 3.18Å; G117-A119 VanDerWaalsContact O-N 3.14Å; A119-A121 PolarHBondContact O-N 2.8Å | ||
| 120 | A | 46.1 | Very low | 54.8 | Low | 99 Ų | 99 | 109.9 Ų | 109.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -59.4 | 94.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | P118 G122 | P118-A120 PolarHBondContact O-N 3.27Å; A120-G122 PolarHBondContact O-N 2.86Å | ||
| 121 | A | 45.3 | Very low | 53 | Low | 111 Ų | 111 | 113.6 Ų | 113.6 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -63.5 | 78.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | A119 | A119-A121 PolarHBondContact O-N 2.8Š| ||
| 122 | G | 47.3 | Very low | 50.9 | Low | 67 Ų | 67 | 110.6 Ų | 110.6 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | -143.5 | 54.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | A120 | A120-G122 PolarHBondContact O-N 2.86Š| ||
| 123 | A | 47.3 | Very low | 48.8 | Very low | 106 Ų | 106 | 108.2 Ų | 108.2 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | -166.5 | 66.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 124 | A | 38.6 | Very low | 46.9 | Very low | 101 Ų | 101 | 107.9 Ų | 107.9 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -123.3 | 127 | 154.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||
| 125 | A | 39.6 | Very low | 45.5 | Very low | 100 Ų | 100 | 101.3 Ų | 101.3 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | trans | -58.4 | 141.7 | -160.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 126 | A | 45.5 | Very low | 44.5 | Very low | 108 Ų | 108 | 100.9 Ų | 100.9 | 89% | 0.893 | 86% | 0.857 | S | S | * | * | trans | -59.9 | 130 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 127 | G | 40.5 | Very low | 43.7 | Very low | 79 Ų | 79 | 100.8 Ų | 100.8 | 81% | 0.814 | 87% | 0.872 | S | S | * | * | trans | 158.1 | 72.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 128 | A | 36.9 | Very low | 43.1 | Very low | 110 Ų | 110 | 104.8 Ų | 104.8 | 91% | 0.909 | 90% | 0.899 | S | S | * | * | trans | -174.1 | 123.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 129 | G | 36.1 | Very low | 42.8 | Very low | 155 Ų | 155 | 102.8 Ų | 102.8 | 100% | 1.598 | 91% | 0.906 | S | S | * | * | trans | 142.3 | 0 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 |
Retrieved 129 of 129 residues in 80.7 ms
(Link to these results)