| 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 | 46.3 | Very low | 61.3 | Low | 249 Ų | 249 | 132.5 Ų | 132.5 | 100% | 1.227 | 70% | 0.696 | S | S | * | * | 0 | 81.9 | 0 | -80.1 | 173.9 | 161.5 | 0 | 0 | 107.5 | |||||
| 2 | E | 47.8 | Very low | 62.1 | Low | 199 Ų | 199 | 129.7 Ų | 129.7 | 93% | 0.93 | 69% | 0.687 | S | S | * | * | trans | -97.1 | 120.5 | 173.4 | -71.2 | -176.3 | 128.5 | 0 | 0 | 107.4 | ||||
| 3 | G | 55.3 | Low | 62.4 | Low | 52 Ų | 52 | 127.2 Ų | 127.2 | 54% | 0.536 | 67% | 0.673 | S | S | . | * | trans | -74.7 | 168.9 | -165 | 0 | 0 | 0 | 0 | 0 | 114.8 | R5 | G3-R5 PolarHBondContact O-N 3.19Š| ||
| 4 | P | 58.8 | Low | 62.5 | Low | 111 Ų | 111 | 122.2 Ų | 122.2 | 72% | 0.721 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 14.4 | -175 | 31.2 | -36 | 0 | 0 | 0 | 114.5 | ||
| 5 | R | 59.8 | Low | 62.5 | Low | 212 Ų | 212 | 121.6 Ų | 121.6 | 80% | 0.8 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -73.3 | -31.2 | -177.8 | -79.5 | -177.6 | 161.8 | -174.1 | -5.4 | 113.1 | G3 W7 V9 | G3-R5 PolarHBondContact O-N 3.19Å; R5-W7 VanDerWaalsContact C-N 3.33Å; R5-W7 PolarHBondContact O-N 3.21Å; R5-V9 WeakPolarHBondContact O-CG2 3.23Å; R5-V9 PolarHBondContact O-N 3.1Å |
| 6 | G | 62.2 | Low | 62.4 | Low | 48 Ų | 48 | 118 Ų | 118 | 50% | 0.495 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -64.9 | -36 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V9 L10 | G6-V9 PolarHBondContact O-N 2.87Å; G6-L10 PolarHBondContact O-N 3.49Å; G6-L10 VanDerWaalsContact O-N 3.09Å |
| 7 | W | 65.6 | Low | 62.2 | Low | 201 Ų | 201 | 117.4 Ų | 117.4 | 76% | 0.761 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.4 | -38.7 | -178.1 | -155.3 | -1.7 | 0 | 0 | 0 | 112.2 | R5 V9 L10 C11 | R5-W7 VanDerWaalsContact C-N 3.33Å; R5-W7 PolarHBondContact O-N 3.21Å; W7-V9 VanDerWaalsContact C-N 3.33Å; W7-V9 PolarHBondContact O-N 3.42Å; W7-L10 PolarHBondContact O-N 3.49Å; W7-C11 WeakPolarHBondContact O-CB 3.38Å; W7-C11 PolarHBondContact O-N 3.34Å; W7-C11 PolarHBondContact O-SG 3.25Å; W7-C11 VanDerWaalsContact O-SG 3.34Å |
| 8 | L | 68.5 | Low | 61.8 | Low | 118 Ų | 118 | 114.5 Ų | 114.5 | 62% | 0.618 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.6 | -39.6 | 174.5 | -73.5 | 167.8 | 0 | 0 | 0 | 111.7 | C11 V12 | L8-C11 PolarHBondContact O-N 3.46Å; L8-V12 WeakPolarHBondContact O-CB 3.44Å; L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.03Å; L8-V12 PolarHBondContact O-N 3.5Å |
| 9 | V | 71.8 | Confident | 61.4 | Low | 89 Ų | 89 | 113 Ų | 113 | 54% | 0.539 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.3 | -42.5 | 175.8 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | R5 G6 W7 V12 L13 | R5-V9 WeakPolarHBondContact O-CG2 3.23Å; R5-V9 PolarHBondContact O-N 3.1Å; G6-V9 PolarHBondContact O-N 2.87Å; W7-V9 VanDerWaalsContact C-N 3.33Å; W7-V9 PolarHBondContact O-N 3.42Å; V9-V12 PolarHBondContact O-N 3.4Å; V9-L13 HydrophobicContact CG1-CD1 4.17Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 PolarHBondContact O-N 2.73Å |
| 10 | L | 69.4 | Low | 60.9 | Low | 122 Ų | 122 | 115.5 Ų | 115.5 | 64% | 0.639 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -62.8 | -42 | 175.3 | -98 | 155.7 | 0 | 0 | 0 | 112.9 | G6 W7 L13 A14 | G6-L10 PolarHBondContact O-N 3.49Å; G6-L10 VanDerWaalsContact O-N 3.09Å; W7-L10 PolarHBondContact O-N 3.49Å; L10-L13 PolarHBondContact O-N 3.41Å; L10-A14 WeakPolarHBondContact O-CB 3.49Å; L10-A14 PolarHBondContact O-N 3.07Å |
| 11 | C | 68.9 | Low | 60.7 | Low | 57 Ų | 57 | 115.7 Ų | 115.7 | 39% | 0.385 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66.7 | -41.1 | 176.8 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | W7 L8 A14 I15 | W7-C11 WeakPolarHBondContact O-CB 3.38Å; W7-C11 PolarHBondContact O-N 3.34Å; W7-C11 PolarHBondContact O-SG 3.25Å; W7-C11 VanDerWaalsContact O-SG 3.34Å; L8-C11 PolarHBondContact O-N 3.46Å; C11-A14 PolarHBondContact O-N 2.87Å; C11-I15 WeakPolarHBondContact O-CD1 3.47Å; C11-I15 WeakPolarHBondContact O-CG1 3.49Å; C11-I15 PolarHBondContact O-N 3.39Å |
| 12 | V | 70.3 | Confident | 61.2 | Low | 98 Ų | 98 | 109.5 Ų | 109.5 | 59% | 0.594 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.3 | -38.4 | 177 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | L8 V9 I15 S16 | L8-V12 WeakPolarHBondContact O-CB 3.44Å; L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.03Å; L8-V12 PolarHBondContact O-N 3.5Å; V9-V12 PolarHBondContact O-N 3.4Å; V12-I15 PolarHBondContact O-N 3.19Å; V12-S16 PolarHBondContact O-N 3.4Å; V12-S16 PolarHBondContact O-OG 3.41Å; V12-S16 VanDerWaalsContact O-OG 3.11Å |
| 13 | L | 66.9 | Low | 61.4 | Low | 97 Ų | 97 | 108.9 Ų | 108.9 | 51% | 0.508 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.6 | -37.4 | 173.7 | -116.1 | 136.5 | 0 | 0 | 0 | 112.7 | V9 L10 S16 L17 | V9-L13 HydrophobicContact CG1-CD1 4.17Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 PolarHBondContact O-N 2.73Å; L10-L13 PolarHBondContact O-N 3.41Å; L13-S16 WeakPolarHBondContact CA-OG 3.41Å; L13-S16 PolarHBondContact O-OG 2.74Å; L13-S16 VanDerWaalsContact O-OG 3.06Å; L13-L17 HydrophobicContact CD2-CD1 4.1Å; L13-L17 WeakPolarHBondContact O-CB 3.11Å; L13-L17 WeakPolarHBondContact O-CD1 3.42Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 3.3Å |
| 14 | A | 63.6 | Low | 61.6 | Low | 58 Ų | 58 | 113.6 Ų | 113.6 | 48% | 0.479 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.9 | -37.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L10 C11 A18 | L10-A14 WeakPolarHBondContact O-CB 3.49Å; L10-A14 PolarHBondContact O-N 3.07Å; C11-A14 PolarHBondContact O-N 2.87Å; A14-A18 WeakPolarHBondContact O-CB 3.04Å; A14-A18 PolarHBondContact O-N 3.43Å |
| 15 | I | 62.9 | Low | 61.5 | Low | 113 Ų | 113 | 116.4 Ų | 116.4 | 58% | 0.579 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.5 | -36 | 178.5 | -65.1 | 162.5 | 0 | 0 | 0 | 111.3 | C11 V12 S19 | C11-I15 WeakPolarHBondContact O-CD1 3.47Å; C11-I15 WeakPolarHBondContact O-CG1 3.49Å; C11-I15 PolarHBondContact O-N 3.39Å; V12-I15 PolarHBondContact O-N 3.19Å; I15-S19 PolarHBondContact O-N 3.32Å; I15-S19 PolarHBondContact O-OG 3.05Å |
| 16 | S | 60.2 | Low | 61.4 | Low | 64 Ų | 64 | 112.9 Ų | 112.9 | 45% | 0.448 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -72 | -36.7 | 174.6 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | V12 L13 S19 | V12-S16 PolarHBondContact O-N 3.4Å; V12-S16 PolarHBondContact O-OG 3.41Å; V12-S16 VanDerWaalsContact O-OG 3.11Å; L13-S16 WeakPolarHBondContact CA-OG 3.41Å; L13-S16 PolarHBondContact O-OG 2.74Å; L13-S16 VanDerWaalsContact O-OG 3.06Å; S16-S19 PolarHBondContact O-N 2.79Å |
| 17 | L | 58.6 | Low | 61.4 | Low | 108 Ų | 108 | 120.6 Ų | 120.6 | 57% | 0.565 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.8 | -34.8 | 172.2 | -83.8 | 158.4 | 0 | 0 | 0 | 112.8 | L13 S19 M20 | L13-L17 HydrophobicContact CD2-CD1 4.1Å; L13-L17 WeakPolarHBondContact O-CB 3.11Å; L13-L17 WeakPolarHBondContact O-CD1 3.42Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 3.3Å; L17-S19 VanDerWaalsContact C-N 3.28Å; L17-S19 PolarHBondContact O-N 3.36Å; L17-M20 PolarHBondContact O-N 2.79Å |
| 18 | A | 55.6 | Low | 61.2 | Low | 65 Ų | 65 | 114.9 Ų | 114.9 | 54% | 0.537 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -70.1 | -23.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A14 M20 | A14-A18 WeakPolarHBondContact O-CB 3.04Å; A14-A18 PolarHBondContact O-N 3.43Å; A18-M20 VanDerWaalsContact C-N 3.3Å; A18-M20 PolarHBondContact O-N 2.82Å |
| 19 | S | 53.9 | Low | 61.2 | Low | 86 Ų | 86 | 115.3 Ų | 115.3 | 60% | 0.601 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -10.1 | 179.8 | -56.5 | 0 | 0 | 0 | 0 | 113.3 | I15 S16 L17 V21 | I15-S19 PolarHBondContact O-N 3.32Å; I15-S19 PolarHBondContact O-OG 3.05Å; S16-S19 PolarHBondContact O-N 2.79Å; L17-S19 VanDerWaalsContact C-N 3.28Å; L17-S19 PolarHBondContact O-N 3.36Å; S19-V21 VanDerWaalsContact C-N 3.35Å |
| 20 | M | 51.8 | Low | 61.3 | Low | 163 Ų | 163 | 117.7 Ų | 117.7 | 80% | 0.803 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 3.6 | 178.8 | -62.8 | -160.2 | 77 | 0 | 0 | 114.4 | L17 A18 | L17-M20 PolarHBondContact O-N 2.79Å; A18-M20 VanDerWaalsContact C-N 3.3Å; A18-M20 PolarHBondContact O-N 2.82Å |
| 21 | V | 55.8 | Low | 61.3 | Low | 119 Ų | 119 | 115.3 Ų | 115.3 | 72% | 0.721 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -111.3 | -0.5 | -168.6 | -175.2 | 0 | 0 | 0 | 0 | 114.4 | S19 | S19-V21 VanDerWaalsContact C-N 3.35Š|
| 22 | T | 56.5 | Low | 61.2 | Low | 119 Ų | 119 | 122.5 Ų | 122.5 | 73% | 0.73 | 70% | 0.702 | S | S | * | * | trans | -129 | 21.7 | -170.5 | 56.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 23 | E | 53.9 | Low | 61 | Low | 186 Ų | 186 | 127.5 Ų | 127.5 | 87% | 0.869 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -95.9 | 12.4 | -179.7 | -105.9 | -169.4 | 157.8 | 0 | 0 | 117.4 | ||
| 24 | D | 58 | Low | 60.8 | Low | 152 Ų | 152 | 126 Ų | 126 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | -135 | 27 | -175.5 | -84.5 | -40.5 | 0 | 0 | 0 | 116.6 | ||||
| 25 | L | 56.5 | Low | 60.6 | Low | 169 Ų | 169 | 132.5 Ų | 132.5 | 89% | 0.885 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -100.7 | 26.7 | -176.6 | -148.5 | 74.2 | 0 | 0 | 0 | 116.6 | ||
| 26 | C | 58.1 | Low | 60.3 | Low | 138 Ų | 138 | 131.9 Ų | 131.9 | 93% | 0.932 | 76% | 0.756 | S | S | * | * | trans | -142.6 | 52.2 | 169.9 | -80 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 27 | R | 62.2 | Low | 60.1 | Low | 210 Ų | 210 | 132.3 Ų | 132.3 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | -111.4 | 112 | 165.2 | -161.9 | 158.1 | -175.1 | 153.7 | -0.2 | 109.6 | ||||
| 28 | A | 61.2 | Low | 60.1 | Low | 81 Ų | 81 | 138.7 Ų | 138.7 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 137.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | D30 | A28-D30 PolarHBondContact O-N 3.17Š|
| 29 | P | 68.1 | Low | 60.2 | Low | 127 Ų | 127 | 141.7 Ų | 141.7 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 136.8 | 176.7 | 21.9 | -30 | 0 | 0 | 0 | 109.8 | ||
| 30 | D | 74.1 | Confident | 60.3 | Low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 142.9 | 176.7 | -67.8 | -42.1 | 0 | 0 | 0 | 110.2 | A28 K32 | A28-D30 PolarHBondContact O-N 3.17Å; D30-K32 PolarHBondContact O-N 3.18Å |
| 31 | G | 69.9 | Low | 60.5 | Low | 72 Ų | 72 | 145.5 Ų | 145.5 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 141.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K33 | G31-K33 PolarHBondContact O-N 2.95Š|
| 32 | K | 68.1 | Low | 60.4 | Low | 208 Ų | 208 | 151.9 Ų | 151.9 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 131.9 | 177.5 | -68.2 | -174.6 | -179.6 | -179.8 | 0 | 109.9 | D30 G34 | D30-K32 PolarHBondContact O-N 3.18Å; K32-G34 PolarHBondContact O-N 3.03Å |
| 33 | K | 64.7 | Low | 60.2 | Low | 204 Ų | 204 | 149.6 Ų | 149.6 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 131.8 | 172.8 | -172.4 | 176.7 | -179.6 | 178 | 0 | 108.7 | G31 | G31-K33 PolarHBondContact O-N 2.95Š|
| 34 | G | 63.1 | Low | 60.2 | Low | 64 Ų | 64 | 152.3 Ų | 152.3 | 66% | 0.66 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 154.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K32 | K32-G34 PolarHBondContact O-N 3.03Š|
| 35 | E | 59.8 | Low | 60.1 | Low | 195 Ų | 195 | 151.2 Ų | 151.2 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 150.3 | 178.8 | -63.5 | -166.6 | 158.8 | 0 | 0 | 112.2 | ||
| 36 | A | 56.8 | Low | 59.9 | Low | 100 Ų | 100 | 146.8 Ų | 146.8 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -63 | 139.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 37 | G | 55.9 | Low | 59.5 | Low | 73 Ų | 73 | 148.7 Ų | 148.7 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 150.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 38 | R | 57.6 | Low | 59.1 | Low | 243 Ų | 243 | 148.4 Ų | 148.4 | 92% | 0.917 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -62 | 145.5 | 176 | -65.2 | -176.9 | -179.2 | -175.8 | 0.3 | 110.8 | ||
| 39 | P | 58.7 | Low | 58.9 | Low | 127 Ų | 127 | 147.7 Ų | 147.7 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -55 | 146.1 | 173.7 | -25 | 33.9 | 0 | 0 | 0 | 112.6 | ||
| 40 | G | 55.7 | Low | 58.2 | Low | 74 Ų | 74 | 151 Ų | 151 | 76% | 0.763 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 158.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 41 | R | 56.1 | Low | 57.6 | Low | 256 Ų | 256 | 153.5 Ų | 153.5 | 97% | 0.966 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 149 | 174.8 | -63.5 | -177 | 179.9 | -171.5 | -0.1 | 110.6 | ||
| 42 | R | 53.3 | Low | 56.9 | Low | 252 Ų | 252 | 153.2 Ų | 153.2 | 95% | 0.951 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 144.4 | 173.2 | -67.5 | -173 | -154.3 | -179.4 | 6.9 | 110.5 | ||
| 43 | G | 53.2 | Low | 56.5 | Low | 72 Ų | 72 | 152.2 Ų | 152.2 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 159.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 44 | R | 53.2 | Low | 56.6 | Low | 243 Ų | 243 | 148.5 Ų | 148.5 | 92% | 0.917 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 150.6 | 174.6 | -63.7 | -178.2 | -178 | -175.2 | 0.3 | 110.4 | ||
| 45 | P | 55.8 | Low | 56.4 | Low | 129 Ų | 129 | 149.1 Ų | 149.1 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 149.1 | 170.4 | -22.9 | 33.6 | 0 | 0 | 0 | 112.1 | ||
| 46 | G | 53.4 | Low | 56.1 | Low | 75 Ų | 75 | 144.4 Ų | 144.4 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 160.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 47 | L | 48.3 | Very low | 56.3 | Low | 178 Ų | 178 | 145.5 Ų | 145.5 | 93% | 0.932 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 148 | 175.2 | -64.5 | 170.9 | 0 | 0 | 0 | 110.8 | ||
| 48 | K | 54.9 | Low | 56.3 | Low | 205 Ų | 205 | 145.7 Ų | 145.7 | 89% | 0.891 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 135.7 | 173.8 | -173.6 | -179.5 | 178.2 | -175.8 | 0 | 109.2 | ||
| 49 | G | 57 | Low | 55.8 | Low | 66 Ų | 66 | 141.4 Ų | 141.4 | 68% | 0.68 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 153.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 50 | E | 53.2 | Low | 55.5 | Low | 197 Ų | 197 | 147.3 Ų | 147.3 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 151.4 | 177.6 | -62.4 | -171.5 | 159.3 | 0 | 0 | 111.7 | ||
| 51 | Q | 60.3 | Low | 55.3 | Low | 190 Ų | 190 | 149.9 Ų | 149.9 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 134.4 | 177.3 | 180 | 173.6 | -21.4 | 0 | 0 | 109.9 | ||
| 52 | G | 55.8 | Low | 55 | Low | 66 Ų | 66 | 141.6 Ų | 141.6 | 68% | 0.68 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 148.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 53 | E | 60.3 | Low | 54.7 | Low | 188 Ų | 188 | 138 Ų | 138 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 149.4 | -179.4 | -63.6 | -157.5 | 145.3 | 0 | 0 | 112.9 | ||
| 54 | P | 66.8 | Low | 54.4 | Low | 126 Ų | 126 | 144 Ų | 144 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 143.6 | 173.8 | -21.1 | 32.6 | 0 | 0 | 0 | 112.9 | ||
| 55 | G | 58 | Low | 54.2 | Low | 76 Ų | 76 | 135.7 Ų | 135.7 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 145.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 56 | A | 53.7 | Low | 53.7 | Low | 96 Ų | 96 | 138.5 Ų | 138.5 | 79% | 0.793 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 144.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 57 | P | 61.1 | Low | 53.4 | Low | 123 Ų | 123 | 144.4 Ų | 144.4 | 80% | 0.799 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 138.8 | 175.2 | -18.8 | 30.7 | 0 | 0 | 0 | 112.2 | I59 | P57-I59 PolarHBondContact O-N 3.5Š|
| 58 | G | 55.5 | Low | 53.5 | Low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 129.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R60 | G58-R60 PolarHBondContact O-N 3.35Š|
| 59 | I | 47.8 | Very low | 53.3 | Low | 153 Ų | 153 | 136.9 Ų | 136.9 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 120.5 | 176.4 | -66.2 | 163.2 | 0 | 0 | 0 | 109 | P57 T61 | P57-I59 PolarHBondContact O-N 3.5Å; I59-T61 HydrophobicContact CG2-CG2 4.05Å |
| 60 | R | 52.3 | Low | 52.9 | Low | 252 Ų | 252 | 142.5 Ų | 142.5 | 95% | 0.951 | 83% | 0.833 | S | S | * | * | trans | -96 | 111 | 166.9 | -79.4 | -176.3 | 170.4 | 167.7 | -2.3 | 109.4 | G58 | G58-R60 PolarHBondContact O-N 3.35Š| ||
| 61 | T | 51.1 | Low | 53.2 | Low | 128 Ų | 128 | 135.9 Ų | 135.9 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -120.3 | 125.9 | 163.6 | 45.3 | 0 | 0 | 0 | 0 | 108.5 | I59 | I59-T61 HydrophobicContact CG2-CG2 4.05Š| ||
| 62 | G | 50.3 | Low | 52.9 | Low | 81 Ų | 81 | 135.8 Ų | 135.8 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -178.8 | 121.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 63 | I | 47.6 | Very low | 53.2 | Low | 176 Ų | 176 | 138.1 Ų | 138.1 | 90% | 0.903 | 82% | 0.821 | S | S | * | * | trans | -79.5 | 144.1 | -168.5 | -55.2 | 159.3 | 0 | 0 | 0 | 110 | ||||
| 64 | Q | 45.4 | Very low | 53.2 | Low | 199 Ų | 199 | 132.2 Ų | 132.2 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -75.7 | 127.1 | -175.7 | -172.8 | 163.3 | 19 | 0 | 0 | 112.7 | ||||
| 65 | G | 50.2 | Low | 52.7 | Low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -134.2 | 152.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 66 | L | 45.4 | Very low | 52.8 | Low | 188 Ų | 188 | 134.4 Ų | 134.4 | 98% | 0.984 | 81% | 0.813 | S | S | * | * | trans | -73 | 157.3 | -161.4 | -77.8 | 159.8 | 0 | 0 | 0 | 116.4 | ||||
| 67 | K | 46 | Very low | 53.2 | Low | 198 Ų | 198 | 133.3 Ų | 133.3 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -67.8 | 139.4 | -160.3 | -173.8 | -178.5 | -175.6 | -174.4 | 0 | 116.5 | ||||
| 68 | G | 51.8 | Low | 52.9 | Low | 65 Ų | 65 | 134.9 Ų | 134.9 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | trans | -134.5 | 160.4 | 156.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 69 | D | 49.4 | Very low | 53.2 | Low | 161 Ų | 161 | 137.2 Ų | 137.2 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -62.1 | 149 | -168.5 | -65.8 | -40.9 | 0 | 0 | 0 | 114.8 | G71 | D69-G71 PolarHBondContact O-N 3.42Š| ||
| 70 | Q | 48.3 | Very low | 54 | Low | 183 Ų | 183 | 133.3 Ų | 133.3 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | -67 | 107.7 | -166.4 | -176.8 | 175.7 | -3.7 | 0 | 0 | 112.4 | ||||
| 71 | G | 59.4 | Low | 54.4 | Low | 59 Ų | 59 | 131.4 Ų | 131.4 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 151.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D69 | D69-G71 PolarHBondContact O-N 3.42Š|
| 72 | E | 55.7 | Low | 54.9 | Low | 187 Ų | 187 | 132.2 Ų | 132.2 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 140.5 | 177.4 | -64.5 | -170.1 | 139.1 | 0 | 0 | 111.2 | G74 | E72-G74 PolarHBondContact O-N 3.43Š|
| 73 | P | 60.4 | Low | 55.6 | Low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 125.7 | 178.1 | -22.5 | 32.3 | 0 | 0 | 0 | 110.9 | ||
| 74 | G | 61.4 | Low | 56.4 | Low | 63 Ų | 63 | 133.7 Ų | 133.7 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 152.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E72 | E72-G74 PolarHBondContact O-N 3.43Š|
| 75 | P | 56.1 | Low | 57.6 | Low | 131 Ų | 131 | 130.1 Ų | 130.1 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 144.3 | -179.7 | 24 | -32.9 | 0 | 0 | 0 | 111.1 | G77 | P75-G77 PolarHBondContact O-N 3.01Š|
| 76 | S | 59.9 | Low | 58.8 | Low | 118 Ų | 118 | 129.9 Ų | 129.9 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 136.6 | 177.4 | -71.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 77 | G | 61.3 | Low | 60.1 | Low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 142.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P75 | P75-G77 PolarHBondContact O-N 3.01Š|
| 78 | N | 55.7 | Low | 61.4 | Low | 157 Ų | 157 | 123.9 Ų | 123.9 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 143 | 178.7 | -68.7 | -26.2 | 0 | 0 | 0 | 111.1 | ||
| 79 | P | 62.7 | Low | 62.6 | Low | 125 Ų | 125 | 123.9 Ų | 123.9 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 142.6 | 174.3 | -25 | 33.5 | 0 | 0 | 0 | 112.1 | ||
| 80 | G | 63 | Low | 63.8 | Low | 72 Ų | 72 | 122.5 Ų | 122.5 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 147.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 81 | K | 60.7 | Low | 65 | Low | 212 Ų | 212 | 122.2 Ų | 122.2 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 139.4 | 177.6 | -63.9 | -175.8 | -179.3 | -177.5 | 0 | 110.1 | ||
| 82 | V | 63 | Low | 65.8 | Low | 144 Ų | 144 | 122.5 Ų | 122.5 | 87% | 0.873 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 135.1 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 83 | G | 65.1 | Low | 66.9 | Low | 61 Ų | 61 | 118.6 Ų | 118.6 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 155.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 84 | Y | 63.7 | Low | 67.5 | Low | 228 Ų | 228 | 124.8 Ų | 124.8 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 149.1 | 178.2 | -68.5 | -78.7 | 0 | 0 | 0 | 111.9 | ||
| 85 | P | 71.4 | Confident | 68.2 | Low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 144.7 | 171.4 | -21.7 | 32.6 | 0 | 0 | 0 | 112 | ||
| 86 | G | 74.7 | Confident | 69.5 | Low | 65 Ų | 65 | 126.3 Ų | 126.3 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 159.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 87 | P | 72.6 | Confident | 70.4 | Confident | 133 Ų | 133 | 126.3 Ų | 126.3 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 153.5 | 178.6 | 28.3 | -34.5 | 0 | 0 | 0 | 112.1 | ||
| 88 | S | 73 | Confident | 71.3 | Confident | 126 Ų | 126 | 126.4 Ų | 126.4 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60 | 140.8 | 173.4 | -64 | 0 | 0 | 0 | 0 | 111.6 | ||
| 89 | G | 76.9 | Confident | 72.6 | Confident | 65 Ų | 65 | 127.1 Ų | 127.1 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 161.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 90 | P | 74.9 | Confident | 73.5 | Confident | 133 Ų | 133 | 130.8 Ų | 130.8 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 153.5 | -179.7 | 27.7 | -34.6 | 0 | 0 | 0 | 112.4 | ||
| 91 | L | 72.5 | Confident | 74.4 | Confident | 177 Ų | 177 | 130.4 Ų | 130.4 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 136.4 | 174.9 | -158.4 | 84.4 | 0 | 0 | 0 | 110.3 | ||
| 92 | G | 78.1 | Confident | 75.6 | Confident | 65 Ų | 65 | 127.1 Ų | 127.1 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 152.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 93 | A | 76.9 | Confident | 76.6 | Confident | 104 Ų | 104 | 129.8 Ų | 129.8 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 147.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G95 | A93-G95 PolarHBondContact O-N 3.44Š|
| 94 | R | 74.4 | Confident | 77.1 | Confident | 246 Ų | 246 | 129.8 Ų | 129.8 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 136.6 | 175.1 | -172.1 | 176 | 179.1 | 171.1 | 0.6 | 110 | ||
| 95 | G | 75.8 | Confident | 77.8 | Confident | 63 Ų | 63 | 124.3 Ų | 124.3 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 150.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A93 | A93-G95 PolarHBondContact O-N 3.44Š|
| 96 | I | 82.8 | Confident | 78.1 | Confident | 164 Ų | 164 | 124.2 Ų | 124.2 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66 | 139.8 | 179.5 | -53.8 | 171.8 | 0 | 0 | 0 | 109.5 | ||
| 97 | P | 80 | Confident | 77.8 | Confident | 117 Ų | 117 | 124.6 Ų | 124.6 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 143.1 | 171.3 | -26.2 | 35 | 0 | 0 | 0 | 112.4 | ||
| 98 | G | 79.8 | Confident | 77.9 | Confident | 74 Ų | 74 | 122 Ų | 122 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 153.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 99 | I | 83.6 | Confident | 77.7 | Confident | 172 Ų | 172 | 122.3 Ų | 122.3 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 141.5 | 174.7 | 53.5 | 169.7 | 0 | 0 | 0 | 111 | ||
| 100 | K | 80.8 | Confident | 77.3 | Confident | 203 Ų | 203 | 127.4 Ų | 127.4 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 135.9 | 173.3 | -172 | 177.3 | 179.9 | 178 | 0 | 109.2 | ||
| 101 | G | 81.7 | Confident | 77.5 | Confident | 64 Ų | 64 | 127.2 Ų | 127.2 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 154.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 102 | T | 86.2 | Confident | 78.1 | Confident | 142 Ų | 142 | 124.2 Ų | 124.2 | 87% | 0.871 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 144.9 | 176.5 | 49.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 103 | K | 83.9 | Confident | 78.6 | Confident | 200 Ų | 200 | 124.6 Ų | 124.6 | 87% | 0.87 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137.4 | 171.2 | -170.7 | 179.8 | 178.5 | 179.5 | 0 | 109 | ||
| 104 | G | 76.1 | Confident | 79.4 | Confident | 61 Ų | 61 | 125.8 Ų | 125.8 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 152.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 105 | S | 77.8 | Confident | 80.5 | Confident | 114 Ų | 114 | 115.7 Ų | 115.7 | 80% | 0.797 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -65 | 142.7 | 175 | 47.8 | 0 | 0 | 0 | 0 | 111 | ||
| 106 | P | 77.3 | Confident | 81.5 | Confident | 121 Ų | 121 | 115.1 Ų | 115.1 | 79% | 0.786 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 143.9 | 167.7 | -22.1 | 33.1 | 0 | 0 | 0 | 111.1 | ||
| 107 | G | 69.1 | Low | 82.3 | Confident | 73 Ų | 73 | 110.2 Ų | 110.2 | 75% | 0.753 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 136 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 108 | N | 75 | Confident | 83.2 | Confident | 79 Ų | 79 | 107.7 Ų | 107.7 | 42% | 0.422 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -101.1 | 116.5 | 179.3 | 180 | 4.5 | 0 | 0 | 0 | 109.8 | K110 D111 | N108-K110 PolarHBondContact O-N 3.41Å; N108-K110 WeakPolarHBondContact OD1-CB 3.44Å; N108-K110 PolarHBondContact OD1-N 2.82Å; N108-K110 VanDerWaalsContact OD1-N 3.1Å; N108-D111 HydrophobicContact CB-CB 4.46Å; N108-D111 VanDerWaalsContact CB-OD2 3.23Å; N108-D111 WeakPolarHBondContact CB-OD2 3.34Å; N108-D111 PolarHBondContact ND2-OD1 3.25Å; N108-D111 PolarHBondContact ND2-OD2 3.34Å; N108-D111 PolarHBondContact O-N 2.88Å; N108-D111 VanDerWaalsContact O-N 3.07Å |
| 109 | I | 68.1 | Low | 84 | Confident | 132 Ų | 132 | 105 Ų | 105 | 68% | 0.677 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -60.9 | -26.5 | -178.6 | -63 | 167.8 | 0 | 0 | 0 | 111.6 | D111 Q112 | I109-D111 VanDerWaalsContact C-N 3.26Å; I109-D111 PolarHBondContact O-N 2.8Å; I109-Q112 PolarHBondContact O-N 2.96Å |
| 110 | K | 69.1 | Low | 84.7 | Confident | 171 Ų | 171 | 99.9 Ų | 99.9 | 74% | 0.743 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -71.1 | -21.6 | 178.3 | -63.9 | -172.3 | 178.2 | -176.5 | 0 | 113.6 | N108 Q112 | N108-K110 PolarHBondContact O-N 3.41Å; N108-K110 WeakPolarHBondContact OD1-CB 3.44Å; N108-K110 PolarHBondContact OD1-N 2.82Å; N108-K110 VanDerWaalsContact OD1-N 3.1Å; K110-Q112 VanDerWaalsContact C-N 3.34Å |
| 111 | D | 78.6 | Confident | 85.4 | Confident | 129 Ų | 129 | 95.5 Ų | 95.5 | 69% | 0.69 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -92 | -1.6 | -178.4 | -57 | -28.2 | 0 | 0 | 0 | 111.8 | N108 I109 | N108-D111 HydrophobicContact CB-CB 4.46Å; N108-D111 VanDerWaalsContact CB-OD2 3.23Å; N108-D111 WeakPolarHBondContact CB-OD2 3.34Å; N108-D111 PolarHBondContact ND2-OD1 3.25Å; N108-D111 PolarHBondContact ND2-OD2 3.34Å; N108-D111 PolarHBondContact O-N 2.88Å; N108-D111 VanDerWaalsContact O-N 3.07Å; I109-D111 VanDerWaalsContact C-N 3.26Å; I109-D111 PolarHBondContact O-N 2.8Å |
| 112 | Q | 84.6 | Confident | 86 | Confident | 115 Ų | 115 | 100.9 Ų | 100.9 | 54% | 0.537 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -88.2 | 144.2 | 176.3 | -67.2 | -176.3 | 4.3 | 0 | 0 | 111 | I109 K110 | I109-Q112 PolarHBondContact O-N 2.96Å; K110-Q112 VanDerWaalsContact C-N 3.34Å |
| 113 | P | 89.6 | Confident | 86.4 | Confident | 72 Ų | 72 | 101 Ų | 101 | 47% | 0.468 | 55% | 0.55 | S | S | . | * | trans | -64 | 137.7 | 172.6 | 26 | -32 | 0 | 0 | 0 | 110.8 | V155 | P113-V155 HydrophobicContact CB-CB 4.34Å; P113-V155 HydrophobicContact CB-CG1 4.02Å; P113-V155 HydrophobicContact CB-CG2 3.71Å; P113-V155 HydrophobicContact CG-CG1 3.76Å; P113-V155 HydrophobicContact CG-CG2 4.33Å | ||
| 114 | R | 93.9 | Very high | 86.5 | Confident | 130 Ų | 130 | 93.2 Ų | 93.2 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | trans | -128.1 | 48.8 | -177 | -61.2 | 175.5 | -63.5 | 164.3 | 4.8 | 112.7 | A116 Q140 E141 | R114-A116 PolarHBondContact O-N 3.27Å; R114-Q140 HydrophobicContact CB-CG 4.04Å; R114-Q140 WeakPolarHBondContact O-CB 3.48Å; R114-Q140 WeakPolarHBondContact O-CG 3.48Å; R114-E141 VanDerWaalsContact N-CD 3.33Å; R114-E141 PolarHBondContact N-OE1 2.7Å; R114-E141 PolarHBondContact N-OE2 2.8Å | ||
| 115 | P | 96.1 | Very high | 87.1 | Confident | 33 Ų | 33 | 93.7 Ų | 93.7 | 21% | 0.214 | 51% | 0.512 | C | S | . | . | trans | -66.2 | 116.7 | 179.4 | 27.7 | -34.5 | 0 | 0 | 0 | 110.6 | E141 P143 Y159 | P115-E141 WeakPolarHBondContact CD-OE2 3.29Å; P115-P143 HydrophobicContact CB-CG 4.28Å; P115-Y159 HydrophobicContact CB-CE1 4.06Å; P115-Y159 HydrophobicContact CG-CE1 3.61Å; P115-Y159 WeakPolarHBondContact CG-OH 3.23Å | ||
| 116 | A | 97.8 | Very high | 87.4 | Confident | 51 Ų | 51 | 97.4 Ų | 97.4 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 138.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | R114 N139 Q140 | R114-A116 PolarHBondContact O-N 3.27Å; A116-N139 CarbonylContact O-C 3.45Å; A116-N139 WeakPolarHBondContact O-CA 3.18Å; A116-Q140 HydrophobicContact CB-CB 4.5Å; A116-Q140 PolarHBondContact N-O 3.12Å; A116-Q140 PolarHBondContact O-N 3.26Å |
| 117 | F | 98.6 | Very high | 87.7 | Confident | 61 Ų | 61 | 94.8 Ų | 94.8 | 27% | 0.268 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 158.3 | 177 | 80.9 | -78.9 | 0 | 0 | 0 | 112.8 | T138 N139 Y144 F151 F161 | F117-T138 CarbonylContact C-O 3.42Å; F117-T138 WeakPolarHBondContact CA-O 3.32Å; F117-T138 WeakPolarHBondContact CB-O 3.16Å; F117-N139 WeakPolarHBondContact CB-OD1 3.46Å; F117-Y144 VanDerWaalsContact CD2-CB 3.5Å; F117-Y144 AromaticContact CD2-CD1 3.98Å; F117-Y144 HydrophobicContact CD2-CD1 3.98Å; F117-Y144 AromaticContact CD2-CD2 3.55Å; F117-Y144 HydrophobicContact CD2-CD2 3.55Å; F117-Y144 HydrophobicContact CD2-CE2 4.25Å; F117-Y144 AromaticContact CD2-CG 3.38Å; F117-Y144 HydrophobicContact CD2-CG 3.38Å; F117-Y144 HydrophobicContact CE2-CD1 4.38Å; F117-Y144 AromaticContact CE2-CD2 3.27Å; F117-Y144 HydrophobicContact CE2-CD2 3.27Å; F117-Y144 AromaticContact CE2-CE2 3.7Å; F117-Y144 HydrophobicContact CE2-CE2 3.7Å; F117-Y144 AromaticContact CE2-CG 3.66Å; F117-Y144 HydrophobicContact CE2-CG 3.66Å; F117-Y144 HydrophobicContact CG-CD2 4.29Å; F117-Y144 AromaticContact CG-CG 3.99Å; F117-Y144 HydrophobicContact CG-CG 3.99Å; F117-Y144 AromaticContact CZ-CD2 3.82Å; F117-Y144 HydrophobicContact CZ-CD2 3.82Å; F117-Y144 HydrophobicContact CZ-CE2 4.35Å; F117-Y144 HydrophobicContact CZ-CG 4.46Å; F117-F151 AromaticContact CD1-CD2 3.63Å; F117-F151 HydrophobicContact CD1-CD2 3.63Å; F117-F151 HydrophobicContact CD1-CE2 4.13Å; F117-F151 HydrophobicContact CE1-CB 4.16Å; F117-F151 AromaticContact CE1-CD2 3.49Å; F117-F151 HydrophobicContact CE1-CD2 3.49Å; F117-F151 VanDerWaalsContact CE1-CD2 3.49Å; F117-F151 HydrophobicContact CE1-CE2 4.23Å; F117-F151 HydrophobicContact CE1-CG 4.15Å; F117-F151 HydrophobicContact CZ-CB 4.38Å; F117-F151 HydrophobicContact CZ-CD2 4.46Å; F117-F161 HydrophobicContact CE1-CD1 4.13Å; F117-F161 AromaticContact CE1-CE1 3.92Å; F117-F161 HydrophobicContact CE1-CE1 3.92Å; F117-F161 HydrophobicContact CZ-CD1 4.36Å; F117-F161 HydrophobicContact CZ-CE1 4.46Å |
| 118 | S | 98.7 | Very high | 88.8 | Confident | 64 Ų | 64 | 94 Ų | 94 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 131.4 | 167.6 | -66 | 0 | 0 | 0 | 0 | 107.5 | I137 T138 | S118-I137 WeakPolarHBondContact O-CA 3.23Å; S118-I137 WeakPolarHBondContact O-CB 3.3Å; S118-I137 PolarHBondContact O-N 2.81Å; S118-T138 PolarHBondContact N-O 3.44Å; S118-T138 PolarHBondContact O-N 3Å |
| 119 | A | 98.3 | Very high | 89.6 | Confident | 19 Ų | 19 | 94.3 Ų | 94.3 | 16% | 0.157 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 150.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110 | F133 T135 Y144 | A119-F133 HydrophobicContact CB-CB 3.62Å; A119-T135 CarbonylContact C-O 3.54Å; A119-T135 WeakPolarHBondContact CA-O 3.28Å; A119-Y144 HydrophobicContact CB-CD1 4.04Å; A119-Y144 HydrophobicContact CB-CE1 3.53Å |
| 120 | I | 98 | Very high | 91 | Very high | 63 Ų | 63 | 89.5 Ų | 89.5 | 32% | 0.323 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 164.9 | -180 | 61.8 | 172.6 | 0 | 0 | 0 | 110.3 | R122 F133 D134 T135 I137 | I120-R122 HydrophobicContact CD1-CG 4.18Å; I120-R122 HydrophobicContact CG1-CG 4.45Å; I120-F133 CarbonylContact O-C 3.55Å; I120-D134 PolarHBondContact O-N 3.24Å; I120-T135 HydrophobicContact CD1-CG2 4.21Å; I120-T135 HydrophobicContact CG1-CG2 3.91Å; I120-T135 PolarHBondContact N-O 2.96Å; I120-T135 PolarHBondContact O-N 3.4Å; I120-I137 HydrophobicContact CD1-CD1 4.36Å; I120-I137 HydrophobicContact CG1-CD1 4.38Å; I120-I137 HydrophobicContact CG1-CG1 4.39Å; I120-I137 HydrophobicContact CG2-CD1 3.55Å; I120-I137 HydrophobicContact CG2-CG1 4.29Å |
| 121 | R | 95.9 | Very high | 92.3 | Very high | 112 Ų | 112 | 82 Ų | 82 | 42% | 0.423 | 45% | 0.452 | S | S | . | . | trans | -95 | 124.8 | 173.5 | -70 | 171.6 | 64.3 | 86 | -5.8 | 109.3 | P124 I132 F133 D134 | R121-P124 HydrophobicContact CB-CG 4.44Å; R121-P124 VanDerWaalsContact CZ-CG 3.48Å; R121-P124 VanDerWaalsContact NH2-CG 3.3Å; R121-I132 WeakPolarHBondContact CG-O 3.21Å; R121-I132 PolarHBondContact NH1-O 2.81Å; R121-F133 HydrophobicContact CG-CB 4.4Å; R121-F133 HydrophobicContact CG-CD1 3.72Å; R121-F133 HydrophobicContact CG-CE1 4.25Å; R121-F133 HydrophobicContact CG-CG 4.16Å; R121-D134 WeakPolarHBondContact CA-OD1 3.13Å | ||
| 122 | R | 93.9 | Very high | 93.2 | Very high | 177 Ų | 177 | 76.8 Ų | 76.8 | 67% | 0.668 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -124 | -58.3 | 168.3 | -69.4 | -159.7 | 178.2 | -162.8 | 3.3 | 110.9 | I120 P124 D134 T135 | I120-R122 HydrophobicContact CD1-CG 4.18Å; I120-R122 HydrophobicContact CG1-CG 4.45Å; R122-P124 VanDerWaalsContact C-CD 3.43Å; R122-D134 PolarHBondContact N-OD1 2.87Å; R122-D134 PolarHBondContact N-OD2 3.28Å; R122-T135 WeakPolarHBondContact CB-OG1 3.37Å; R122-T135 HydrophobicContact CG-CG2 4.33Å |
| 123 | N | 92.9 | Very high | 93.8 | Very high | 145 Ų | 145 | 72.7 Ų | 72.7 | 78% | 0.775 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -128.8 | 64.2 | 177.9 | -63.4 | -46.3 | 0 | 0 | 0 | 109.9 | D134 | N123-D134 PolarHBondContact N-OD1 2.58Å; N123-D134 PolarHBondContact N-OD2 2.97Å |
| 124 | P | 87.9 | Confident | 94.2 | Very high | 35 Ų | 35 | 70.6 Ų | 70.6 | 23% | 0.227 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 143.6 | -173.6 | 28.8 | -34.9 | 0 | 0 | 0 | 111.1 | R121 R122 D134 | R121-P124 HydrophobicContact CB-CG 4.44Å; R121-P124 VanDerWaalsContact CZ-CG 3.48Å; R121-P124 VanDerWaalsContact NH2-CG 3.3Å; R122-P124 VanDerWaalsContact C-CD 3.43Å; P124-D134 WeakPolarHBondContact CA-OD1 3.38Å |
| 125 | P | 88.6 | Confident | 94.4 | Very high | 71 Ų | 71 | 66.4 Ų | 66.4 | 46% | 0.461 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 143 | 169.9 | -21.9 | 31.4 | 0 | 0 | 0 | 111.4 | I132 | P125-I132 HydrophobicContact CB-CD1 4.12Å; P125-I132 HydrophobicContact CG-CD1 3.98Å; P125-I132 HydrophobicContact CG-CG2 4.38Å |
| 126 | M | 83.9 | Confident | 94.5 | Very high | 193 Ų | 193 | 67.6 Ų | 67.6 | 95% | 0.951 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -86.9 | 141.7 | 176.5 | -68.3 | -173.8 | 73.1 | 0 | 0 | 111.3 | ||
| 127 | G | 84.1 | Confident | 94.5 | Very high | 65 Ų | 65 | 70.3 Ų | 70.3 | 67% | 0.67 | 39% | 0.391 | S | S | * | . | trans | 104.7 | 163.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 128 | G | 90.8 | Very high | 94.5 | Very high | 56 Ų | 56 | 70.6 Ų | 70.6 | 58% | 0.577 | 40% | 0.398 | S | S | * | . | S | Bend | trans | 75.6 | 174.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | K219 | G128-K219 WeakPolarHBondContact O-CE 3.47Š|
| 129 | N | 93.3 | Very high | 94.5 | Very high | 86 Ų | 86 | 68.1 Ų | 68.1 | 46% | 0.46 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -95.4 | -13.4 | 177.9 | -64.7 | -8.2 | 0 | 0 | 0 | 112.4 | E218 K219 | N129-E218 HydrophobicContact CB-CG 4.43Å; N129-E218 CarbonylContact O-C 3.58Å; N129-E218 WeakPolarHBondContact O-CA 3.36Å; N129-K219 WeakPolarHBondContact O-CG 3.49Å; N129-K219 PolarHBondContact O-N 3.06Å |
| 130 | V | 95.9 | Very high | 94.4 | Very high | 32 Ų | 32 | 71.3 Ų | 71.3 | 19% | 0.194 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -75.2 | 127.6 | 177.8 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | I132 S148 W216 E218 | V130-I132 HydrophobicContact CG1-CG1 4.36Å; V130-I132 PolarHBondContact O-N 3.1Å; V130-S148 WeakPolarHBondContact CG1-O 3.42Å; V130-W216 HydrophobicContact CG1-CB 4.27Å; V130-W216 HydrophobicContact CG1-CG 4.27Å; V130-E218 HydrophobicContact CG2-CG 4.26Å |
| 131 | V | 96 | Very high | 94.3 | Very high | 12 Ų | 12 | 72.5 Ų | 72.5 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | trans | -83.5 | 101.4 | 174.2 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | F133 L173 V217 K219 | V131-F133 HydrophobicContact CB-CE2 4.29Å; V131-F133 HydrophobicContact CG1-CD2 4.47Å; V131-F133 HydrophobicContact CG1-CE2 3.82Å; V131-F133 HydrophobicContact CG1-CZ 3.86Å; V131-F133 WeakPolarHBondContact O-CD2 3.42Å; V131-F133 WeakPolarHBondContact O-CE2 3.23Å; V131-L173 HydrophobicContact CG2-CD2 3.87Å; V131-V217 HydrophobicContact CB-CB 4.14Å; V131-V217 HydrophobicContact CB-CG1 4.07Å; V131-V217 HydrophobicContact CG2-CG1 4.01Å; V131-V217 PolarHBondContact N-O 2.96Å; V131-K219 HydrophobicContact CG2-CB 4.11Å; V131-K219 HydrophobicContact CG2-CG 4.42Å | ||
| 132 | I | 97.6 | Very high | 94.3 | Very high | 21 Ų | 21 | 73.8 Ų | 73.8 | 11% | 0.108 | 41% | 0.407 | C | S | . | . | trans | -83.1 | 124 | -179.5 | -58.5 | 174.9 | 0 | 0 | 0 | 110.2 | R121 P125 V130 N146 | R121-I132 WeakPolarHBondContact CG-O 3.21Å; R121-I132 PolarHBondContact NH1-O 2.81Å; P125-I132 HydrophobicContact CB-CD1 4.12Å; P125-I132 HydrophobicContact CG-CD1 3.98Å; P125-I132 HydrophobicContact CG-CG2 4.38Å; V130-I132 HydrophobicContact CG1-CG1 4.36Å; V130-I132 PolarHBondContact O-N 3.1Å; I132-N146 WeakPolarHBondContact CG2-O 3.34Å | ||
| 133 | F | 97.8 | Very high | 94.5 | Very high | 28 Ų | 28 | 65.8 Ų | 65.8 | 12% | 0.123 | 38% | 0.378 | C | S | . | . | trans | -100.6 | 92.7 | 171.7 | -56.2 | -102.6 | 0 | 0 | 0 | 108.3 | A119 I120 R121 V131 T135 Y144 V165 V217 | A119-F133 HydrophobicContact CB-CB 3.62Å; I120-F133 CarbonylContact O-C 3.55Å; R121-F133 HydrophobicContact CG-CB 4.4Å; R121-F133 HydrophobicContact CG-CD1 3.72Å; R121-F133 HydrophobicContact CG-CE1 4.25Å; R121-F133 HydrophobicContact CG-CG 4.16Å; V131-F133 HydrophobicContact CB-CE2 4.29Å; V131-F133 HydrophobicContact CG1-CD2 4.47Å; V131-F133 HydrophobicContact CG1-CE2 3.82Å; V131-F133 HydrophobicContact CG1-CZ 3.86Å; V131-F133 WeakPolarHBondContact O-CD2 3.42Å; V131-F133 WeakPolarHBondContact O-CE2 3.23Å; F133-T135 PolarHBondContact O-N 3.43Å; F133-Y144 VanDerWaalsContact CB-OH 3.29Å; F133-Y144 WeakPolarHBondContact CB-OH 3.4Å; F133-Y144 PolarHBondContact N-OH 3.17Å; F133-Y144 VanDerWaalsContact N-OH 3.12Å; F133-Y144 WeakPolarHBondContact O-CE1 3.18Å; F133-Y144 PolarHBondContact O-OH 2.68Å; F133-V165 HydrophobicContact CE1-CG2 4.13Å; F133-V165 HydrophobicContact CZ-CG2 3.95Å; F133-V217 HydrophobicContact CE2-CB 4.29Å; F133-V217 HydrophobicContact CE2-CG2 4.2Å | ||
| 134 | D | 97.4 | Very high | 94.8 | Very high | 28 Ų | 28 | 59.4 Ų | 59.4 | 15% | 0.15 | 34% | 0.343 | C | S | . | . | trans | -70.4 | -28.1 | -167 | 56.9 | -75.3 | 0 | 0 | 0 | 114.4 | I120 R121 R122 N123 P124 N146 | I120-D134 PolarHBondContact O-N 3.24Å; R121-D134 WeakPolarHBondContact CA-OD1 3.13Å; R122-D134 PolarHBondContact N-OD1 2.87Å; R122-D134 PolarHBondContact N-OD2 3.28Å; N123-D134 PolarHBondContact N-OD1 2.58Å; N123-D134 PolarHBondContact N-OD2 2.97Å; P124-D134 WeakPolarHBondContact CA-OD1 3.38Å; D134-N146 WeakPolarHBondContact O-CB 3.45Å; D134-N146 PolarHBondContact O-ND2 2.99Å | ||
| 135 | T | 98.1 | Very high | 95.3 | Very high | 43 Ų | 43 | 60.9 Ų | 60.9 | 26% | 0.264 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 108.2 | -173.2 | -63.3 | 0 | 0 | 0 | 0 | 110 | A119 I120 R122 F133 | A119-T135 CarbonylContact C-O 3.54Å; A119-T135 WeakPolarHBondContact CA-O 3.28Å; I120-T135 HydrophobicContact CD1-CG2 4.21Å; I120-T135 HydrophobicContact CG1-CG2 3.91Å; I120-T135 PolarHBondContact N-O 2.96Å; I120-T135 PolarHBondContact O-N 3.4Å; R122-T135 WeakPolarHBondContact CB-OG1 3.37Å; R122-T135 HydrophobicContact CG-CG2 4.33Å; F133-T135 PolarHBondContact O-N 3.43Å |
| 136 | V | 98.4 | Very high | 95.7 | Very high | 57 Ų | 57 | 60.8 Ų | 60.8 | 35% | 0.345 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 132.8 | 179.2 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | N139 Y144 N146 | V136-N139 HydrophobicContact CG1-CB 3.63Å; V136-Y144 HydrophobicContact CG2-CD1 4.39Å; V136-N146 HydrophobicContact CG2-CB 3.81Å |
| 137 | I | 98.3 | Very high | 96.3 | Very high | 108 Ų | 108 | 57.8 Ų | 57.8 | 55% | 0.554 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -50.3 | 168.6 | -60.6 | -177.5 | 0 | 0 | 0 | 109.8 | S118 I120 | S118-I137 WeakPolarHBondContact O-CA 3.23Å; S118-I137 WeakPolarHBondContact O-CB 3.3Å; S118-I137 PolarHBondContact O-N 2.81Å; I120-I137 HydrophobicContact CD1-CD1 4.36Å; I120-I137 HydrophobicContact CG1-CD1 4.38Å; I120-I137 HydrophobicContact CG1-CG1 4.39Å; I120-I137 HydrophobicContact CG2-CD1 3.55Å; I120-I137 HydrophobicContact CG2-CG1 4.29Å |
| 138 | T | 98.4 | Very high | 96.9 | Very high | 68 Ų | 68 | 55.9 Ų | 55.9 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.1 | 179.3 | -54.6 | 0 | 0 | 0 | 0 | 108.3 | F117 S118 | F117-T138 CarbonylContact C-O 3.42Å; F117-T138 WeakPolarHBondContact CA-O 3.32Å; F117-T138 WeakPolarHBondContact CB-O 3.16Å; S118-T138 PolarHBondContact N-O 3.44Å; S118-T138 PolarHBondContact O-N 3Å |
| 139 | N | 98.2 | Very high | 97.2 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.064 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 59.5 | 174.6 | -158 | 19.7 | 0 | 0 | 0 | 111 | A116 F117 V136 E141 E142 P143 Y144 | A116-N139 CarbonylContact O-C 3.45Å; A116-N139 WeakPolarHBondContact O-CA 3.18Å; F117-N139 WeakPolarHBondContact CB-OD1 3.46Å; V136-N139 HydrophobicContact CG1-CB 3.63Å; N139-E141 PolarHBondContact O-N 3.3Å; N139-E142 WeakPolarHBondContact CB-OE2 3.48Å; N139-E142 WeakPolarHBondContact ND2-CA 3.36Å; N139-E142 PolarHBondContact ND2-OE2 2.9Å; N139-E142 WeakPolarHBondContact O-CA 3.35Å; N139-E142 VanDerWaalsContact O-CD 3.25Å; N139-E142 PolarHBondContact O-N 2.83Å; N139-E142 VanDerWaalsContact O-OE1 3.07Å; N139-P143 VanDerWaalsContact OD1-CD 3.23Å; N139-P143 WeakPolarHBondContact OD1-CD 3.4Å; N139-Y144 PolarHBondContact ND2-O 3.22Å; N139-Y144 WeakPolarHBondContact OD1-CB 3.32Å; N139-Y144 PolarHBondContact OD1-N 2.79Å |
| 140 | Q | 96.9 | Very high | 97.4 | Very high | 86 Ų | 86 | 51.9 Ų | 51.9 | 40% | 0.402 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 125.6 | -179.9 | -176.5 | 63.5 | 53.2 | 0 | 0 | 110.1 | R114 A116 E142 P143 | R114-Q140 HydrophobicContact CB-CG 4.04Å; R114-Q140 WeakPolarHBondContact O-CB 3.48Å; R114-Q140 WeakPolarHBondContact O-CG 3.48Å; A116-Q140 HydrophobicContact CB-CB 4.5Å; A116-Q140 PolarHBondContact N-O 3.12Å; A116-Q140 PolarHBondContact O-N 3.26Å; Q140-E142 PolarHBondContact O-N 2.86Å; Q140-P143 WeakPolarHBondContact O-CD 3.39Å |
| 141 | E | 95.3 | Very high | 97.5 | Very high | 87 Ų | 87 | 50.6 Ų | 50.6 | 41% | 0.407 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 12.5 | -172.1 | -59.1 | 174.8 | -173.2 | 0 | 0 | 114.7 | R114 P115 N139 P143 | R114-E141 VanDerWaalsContact N-CD 3.33Å; R114-E141 PolarHBondContact N-OE1 2.7Å; R114-E141 PolarHBondContact N-OE2 2.8Å; P115-E141 WeakPolarHBondContact CD-OE2 3.29Å; N139-E141 PolarHBondContact O-N 3.3Å; E141-P143 WeakPolarHBondContact O-CD 3.38Å |
| 142 | E | 97.9 | Very high | 97.6 | Very high | 140 Ų | 140 | 51.5 Ų | 51.5 | 65% | 0.654 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 49.6 | 39.5 | 175.5 | -53 | -61.2 | 149 | 0 | 0 | 116.5 | N139 Q140 Y144 | N139-E142 WeakPolarHBondContact CB-OE2 3.48Å; N139-E142 WeakPolarHBondContact ND2-CA 3.36Å; N139-E142 PolarHBondContact ND2-OE2 2.9Å; N139-E142 WeakPolarHBondContact O-CA 3.35Å; N139-E142 VanDerWaalsContact O-CD 3.25Å; N139-E142 PolarHBondContact O-N 2.83Å; N139-E142 VanDerWaalsContact O-OE1 3.07Å; Q140-E142 PolarHBondContact O-N 2.86Å; E142-Y144 VanDerWaalsContact C-N 3.3Å; E142-Y144 PolarHBondContact O-N 2.86Å |
| 143 | P | 98.1 | Very high | 97.7 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | trans | -75.1 | -16.7 | -177.9 | 34.1 | -40.2 | 0 | 0 | 0 | 113.7 | P115 N139 Q140 E141 F151 V152 | P115-P143 HydrophobicContact CB-CG 4.28Å; N139-P143 VanDerWaalsContact OD1-CD 3.23Å; N139-P143 WeakPolarHBondContact OD1-CD 3.4Å; Q140-P143 WeakPolarHBondContact O-CD 3.39Å; E141-P143 WeakPolarHBondContact O-CD 3.38Å; P143-F151 HydrophobicContact CB-CD2 3.77Å; P143-F151 HydrophobicContact CB-CE2 3.39Å; P143-F151 HydrophobicContact CB-CZ 4.03Å; P143-F151 HydrophobicContact CG-CD2 4.01Å; P143-F151 HydrophobicContact CG-CE2 3.58Å; P143-F151 CarbonylContact O-C 3.52Å; P143-F151 WeakPolarHBondContact O-CA 3.34Å; P143-V152 PolarHBondContact O-N 2.89Å | ||
| 144 | Y | 98.7 | Very high | 97.6 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 4% | 0.043 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 134 | -180 | -178.2 | -103.8 | 0 | 0 | 0 | 113 | F117 A119 F133 V136 N139 E142 N146 G149 F151 | F117-Y144 VanDerWaalsContact CD2-CB 3.5Å; F117-Y144 AromaticContact CD2-CD1 3.98Å; F117-Y144 HydrophobicContact CD2-CD1 3.98Å; F117-Y144 AromaticContact CD2-CD2 3.55Å; F117-Y144 HydrophobicContact CD2-CD2 3.55Å; F117-Y144 HydrophobicContact CD2-CE2 4.25Å; F117-Y144 AromaticContact CD2-CG 3.38Å; F117-Y144 HydrophobicContact CD2-CG 3.38Å; F117-Y144 HydrophobicContact CE2-CD1 4.38Å; F117-Y144 AromaticContact CE2-CD2 3.27Å; F117-Y144 HydrophobicContact CE2-CD2 3.27Å; F117-Y144 AromaticContact CE2-CE2 3.7Å; F117-Y144 HydrophobicContact CE2-CE2 3.7Å; F117-Y144 AromaticContact CE2-CG 3.66Å; F117-Y144 HydrophobicContact CE2-CG 3.66Å; F117-Y144 HydrophobicContact CG-CD2 4.29Å; F117-Y144 AromaticContact CG-CG 3.99Å; F117-Y144 HydrophobicContact CG-CG 3.99Å; F117-Y144 AromaticContact CZ-CD2 3.82Å; F117-Y144 HydrophobicContact CZ-CD2 3.82Å; F117-Y144 HydrophobicContact CZ-CE2 4.35Å; F117-Y144 HydrophobicContact CZ-CG 4.46Å; A119-Y144 HydrophobicContact CB-CD1 4.04Å; A119-Y144 HydrophobicContact CB-CE1 3.53Å; F133-Y144 VanDerWaalsContact CB-OH 3.29Å; F133-Y144 WeakPolarHBondContact CB-OH 3.4Å; F133-Y144 PolarHBondContact N-OH 3.17Å; F133-Y144 VanDerWaalsContact N-OH 3.12Å; F133-Y144 WeakPolarHBondContact O-CE1 3.18Å; F133-Y144 PolarHBondContact O-OH 2.68Å; V136-Y144 HydrophobicContact CG2-CD1 4.39Å; N139-Y144 PolarHBondContact ND2-O 3.22Å; N139-Y144 WeakPolarHBondContact OD1-CB 3.32Å; N139-Y144 PolarHBondContact OD1-N 2.79Å; E142-Y144 VanDerWaalsContact C-N 3.3Å; E142-Y144 PolarHBondContact O-N 2.86Å; Y144-N146 HydrophobicContact CE1-CB 4.14Å; Y144-G149 WeakPolarHBondContact OH-CA 3.44Å; Y144-F151 HydrophobicContact CD2-CB 4.48Å |
| 145 | Q | 98.3 | Very high | 97.6 | Very high | 67 Ų | 67 | 54.2 Ų | 54.2 | 31% | 0.313 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 104.7 | 177.8 | -64.6 | 178.5 | 5.9 | 0 | 0 | 110.8 | H147 S148 G149 R150 V152 | Q145-H147 VanDerWaalsContact C-N 3.3Å; Q145-H147 PolarHBondContact O-N 3.49Å; Q145-H147 PolarHBondContact OE1-CE1 2.75Å; Q145-S148 WeakPolarHBondContact CB-OG 3.12Å; Q145-S148 PolarHBondContact O-N 2.97Å; Q145-S148 PolarHBondContact O-OG 2.89Å; Q145-S148 PolarHBondContact OE1-OG 2.94Å; Q145-G149 PolarHBondContact O-N 3.31Å; Q145-R150 WeakPolarHBondContact CB-O 3.46Å; Q145-R150 PolarHBondContact N-O 2.82Å; Q145-R150 PolarHBondContact O-N 2.93Å; Q145-V152 HydrophobicContact CG-CG2 4.49Å |
| 146 | N | 97 | Very high | 97.5 | Very high | 69 Ų | 69 | 56.1 Ų | 56.1 | 37% | 0.369 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.3 | -177 | 68.4 | -15.7 | 0 | 0 | 0 | 114.7 | I132 D134 V136 Y144 | I132-N146 WeakPolarHBondContact CG2-O 3.34Å; D134-N146 WeakPolarHBondContact O-CB 3.45Å; D134-N146 PolarHBondContact O-ND2 2.99Å; V136-N146 HydrophobicContact CG2-CB 3.81Å; Y144-N146 HydrophobicContact CE1-CB 4.14Å |
| 147 | H | 95.6 | Very high | 97.4 | Very high | 130 Ų | 130 | 54.7 Ų | 54.7 | 60% | 0.602 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -22.9 | 176.1 | 59.8 | 71.9 | 0 | 0 | 0 | 112.8 | Q145 | Q145-H147 VanDerWaalsContact C-N 3.3Å; Q145-H147 PolarHBondContact O-N 3.49Å; Q145-H147 PolarHBondContact OE1-CE1 2.75Å |
| 148 | S | 96.6 | Very high | 97.4 | Very high | 24 Ų | 24 | 57.3 Ų | 57.3 | 17% | 0.168 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -15.5 | -176 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | V130 Q145 R150 | V130-S148 WeakPolarHBondContact CG1-O 3.42Å; Q145-S148 WeakPolarHBondContact CB-OG 3.12Å; Q145-S148 PolarHBondContact O-N 2.97Å; Q145-S148 PolarHBondContact O-OG 2.89Å; Q145-S148 PolarHBondContact OE1-OG 2.94Å; S148-R150 VanDerWaalsContact C-N 3.29Å; S148-R150 WeakPolarHBondContact OG-CB 3.47Å; S148-R150 PolarHBondContact OG-N 3.29Å |
| 149 | G | 97.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 12.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y144 Q145 W216 | Y144-G149 WeakPolarHBondContact OH-CA 3.44Å; Q145-G149 PolarHBondContact O-N 3.31Å; G149-W216 WeakPolarHBondContact O-CB 3.15Å |
| 150 | R | 98 | Very high | 97.4 | Very high | 57 Ų | 57 | 62.2 Ų | 62.2 | 22% | 0.215 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.1 | -168.8 | -64.9 | 168.5 | 176.5 | -82.3 | -14.7 | 111.9 | Q145 S148 W216 | Q145-R150 WeakPolarHBondContact CB-O 3.46Å; Q145-R150 PolarHBondContact N-O 2.82Å; Q145-R150 PolarHBondContact O-N 2.93Å; S148-R150 VanDerWaalsContact C-N 3.29Å; S148-R150 WeakPolarHBondContact OG-CB 3.47Å; S148-R150 PolarHBondContact OG-N 3.29Å; R150-W216 HydrophobicContact CG-CB 4Å; R150-W216 HydrophobicContact CG-CD2 4.42Å; R150-W216 HydrophobicContact CG-CE3 4.4Å; R150-W216 HydrophobicContact CG-CG 4.28Å; R150-W216 VanDerWaalsContact NH1-CH2 3.31Å |
| 151 | F | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 139.9 | 161.4 | 173.8 | -87.8 | 0 | 0 | 0 | 109.7 | F117 P143 Y144 C153 Y159 F161 L209 Q214 V215 | F117-F151 AromaticContact CD1-CD2 3.63Å; F117-F151 HydrophobicContact CD1-CD2 3.63Å; F117-F151 HydrophobicContact CD1-CE2 4.13Å; F117-F151 HydrophobicContact CE1-CB 4.16Å; F117-F151 AromaticContact CE1-CD2 3.49Å; F117-F151 HydrophobicContact CE1-CD2 3.49Å; F117-F151 VanDerWaalsContact CE1-CD2 3.49Å; F117-F151 HydrophobicContact CE1-CE2 4.23Å; F117-F151 HydrophobicContact CE1-CG 4.15Å; F117-F151 HydrophobicContact CZ-CB 4.38Å; F117-F151 HydrophobicContact CZ-CD2 4.46Å; P143-F151 HydrophobicContact CB-CD2 3.77Å; P143-F151 HydrophobicContact CB-CE2 3.39Å; P143-F151 HydrophobicContact CB-CZ 4.03Å; P143-F151 HydrophobicContact CG-CD2 4.01Å; P143-F151 HydrophobicContact CG-CE2 3.58Å; P143-F151 CarbonylContact O-C 3.52Å; P143-F151 WeakPolarHBondContact O-CA 3.34Å; Y144-F151 HydrophobicContact CD2-CB 4.48Å; F151-C153 HydrophobicContact CE1-CB 4Å; F151-Y159 AromaticContact CZ-CD1 3.91Å; F151-Y159 HydrophobicContact CZ-CD1 3.91Å; F151-Y159 AromaticContact CZ-CE1 3.72Å; F151-Y159 HydrophobicContact CZ-CE1 3.72Å; F151-F161 HydrophobicContact CB-CE1 4.04Å; F151-F161 AromaticContact CD1-CE1 3.82Å; F151-F161 HydrophobicContact CD1-CE1 3.82Å; F151-F161 AromaticContact CD1-CZ 3.64Å; F151-F161 HydrophobicContact CD1-CZ 3.64Å; F151-F161 HydrophobicContact CD2-CE1 4.04Å; F151-F161 HydrophobicContact CD2-CZ 4.48Å; F151-F161 HydrophobicContact CE1-CE1 4.25Å; F151-F161 AromaticContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE2-CE1 4.41Å; F151-F161 AromaticContact CG-CE1 3.7Å; F151-F161 HydrophobicContact CG-CE1 3.7Å; F151-F161 HydrophobicContact CG-CZ 4.03Å; F151-F161 HydrophobicContact CZ-CZ 4.22Å; F151-L209 HydrophobicContact CD1-CD1 4.27Å; F151-L209 HydrophobicContact CE1-CD1 3.78Å; F151-Q214 CarbonylContact O-C 3.44Å; F151-Q214 WeakPolarHBondContact O-CA 3.46Å; F151-V215 HydrophobicContact CB-CB 4.34Å; F151-V215 HydrophobicContact CD1-CB 4.39Å; F151-V215 HydrophobicContact CD1-CG2 4.43Å; F151-V215 PolarHBondContact N-O 2.97Å; F151-V215 PolarHBondContact O-N 2.83Å |
| 152 | V | 98.3 | Very high | 97.6 | Very high | 31 Ų | 31 | 58.1 Ų | 58.1 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 118.8 | 175.5 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | P143 Q145 T154 Q214 | P143-V152 PolarHBondContact O-N 2.89Å; Q145-V152 HydrophobicContact CG-CG2 4.49Å; V152-T154 PolarHBondContact O-N 2.82Å; V152-Q214 HydrophobicContact CG2-CG 4.26Å |
| 153 | C | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | trans | -72.2 | 117.8 | -179.4 | -177.1 | 0 | 0 | 0 | 0 | 111 | F151 V155 L209 Q210 G212 D213 | F151-C153 HydrophobicContact CE1-CB 4Å; C153-V155 PolarHBondContact SG-O 3.47Å; C153-L209 HydrophobicContact CB-CB 4.02Å; C153-L209 HydrophobicContact CB-CD1 4.08Å; C153-Q210 VanDerWaalsContact CB-O 3.3Å; C153-Q210 WeakPolarHBondContact CB-O 3.45Å; C153-Q210 PolarHBondContact SG-O 2.89Å; C153-G212 PolarHBondContact O-N 3.4Å; C153-D213 HydrophobicContact CB-CB 4.39Å; C153-D213 WeakPolarHBondContact CB-O 3.19Å; C153-D213 PolarHBondContact N-O 2.74Å | ||
| 154 | T | 96.9 | Very high | 97.6 | Very high | 89 Ų | 89 | 57.2 Ų | 57.2 | 55% | 0.546 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -98.5 | -33.6 | 170.8 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | V152 | V152-T154 PolarHBondContact O-N 2.82Š|
| 155 | V | 96.3 | Very high | 97.5 | Very high | 45 Ų | 45 | 57.4 Ų | 57.4 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -110.7 | 110.8 | -177.8 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | P113 C153 Y159 | P113-V155 HydrophobicContact CB-CB 4.34Å; P113-V155 HydrophobicContact CB-CG1 4.02Å; P113-V155 HydrophobicContact CB-CG2 3.71Å; P113-V155 HydrophobicContact CG-CG1 3.76Å; P113-V155 HydrophobicContact CG-CG2 4.33Å; C153-V155 PolarHBondContact SG-O 3.47Å; V155-Y159 VanDerWaalsContact O-CE2 3.23Å; V155-Y159 WeakPolarHBondContact O-CE2 3.2Å; V155-Y159 VanDerWaalsContact O-CZ 3.32Å; V155-Y159 PolarHBondContact O-OH 2.73Å |
| 156 | P | 97.2 | Very high | 97.3 | Very high | 83 Ų | 83 | 59 Ų | 59 | 54% | 0.539 | 30% | 0.3 | S | S | . | . | trans | -58.6 | 140.8 | 178.4 | -23.2 | 32.8 | 0 | 0 | 0 | 112.1 | L209 Q211 | P156-L209 VanDerWaalsContact CA-O 3.32Å; P156-L209 WeakPolarHBondContact CA-O 3.36Å; P156-Q211 HydrophobicContact CG-CB 4.09Å | ||
| 157 | G | 96.4 | Very high | 96.9 | Very high | 26 Ų | 26 | 56.7 Ų | 56.7 | 27% | 0.268 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.1 | -168.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q208 L209 | G157-Q208 WeakPolarHBondContact O-CA 3.38Å; G157-L209 PolarHBondContact N-O 3.06Å; G157-L209 PolarHBondContact O-N 3.47Å |
| 158 | Y | 97.8 | Very high | 96.7 | Very high | 163 Ų | 163 | 54 Ų | 54 | 64% | 0.639 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 127.8 | 173.7 | -66.7 | -88.6 | 0 | 0 | 0 | 109.5 | V206 L207 Q208 | Y158-V206 HydrophobicContact CD1-CG1 4.11Å; Y158-L207 WeakPolarHBondContact CA-O 3.38Å; Y158-Q208 HydrophobicContact CD1-CB 3.83Å; Y158-Q208 HydrophobicContact CD1-CG 4.12Å; Y158-Q208 HydrophobicContact CE1-CB 3.61Å; Y158-Q208 HydrophobicContact CE1-CG 3.74Å; Y158-Q208 HydrophobicContact CE2-CG 4.32Å; Y158-Q208 VanDerWaalsContact CZ-CD 3.48Å; Y158-Q208 VanDerWaalsContact OH-CD 3.29Å; Y158-Q208 PolarHBondContact OH-NE2 3.06Å; Y158-Q208 PolarHBondContact OH-OE1 3.43Å |
| 159 | Y | 98.1 | Very high | 96.2 | Very high | 29 Ų | 29 | 60.2 Ų | 60.2 | 11% | 0.114 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144.3 | -179.4 | -73.1 | -97.5 | 0 | 0 | 0 | 109.7 | P115 F151 V155 F161 V206 L207 L209 | P115-Y159 HydrophobicContact CB-CE1 4.06Å; P115-Y159 HydrophobicContact CG-CE1 3.61Å; P115-Y159 WeakPolarHBondContact CG-OH 3.23Å; F151-Y159 AromaticContact CZ-CD1 3.91Å; F151-Y159 HydrophobicContact CZ-CD1 3.91Å; F151-Y159 AromaticContact CZ-CE1 3.72Å; F151-Y159 HydrophobicContact CZ-CE1 3.72Å; V155-Y159 VanDerWaalsContact O-CE2 3.23Å; V155-Y159 WeakPolarHBondContact O-CE2 3.2Å; V155-Y159 VanDerWaalsContact O-CZ 3.32Å; V155-Y159 PolarHBondContact O-OH 2.73Å; Y159-F161 VanDerWaalsContact CB-CE2 3.4Å; Y159-F161 HydrophobicContact CG-CE2 4.35Å; Y159-F161 HydrophobicContact CG-CZ 4.38Å; Y159-V206 CarbonylContact O-C 3.58Å; Y159-V206 VanDerWaalsContact O-CA 3.28Å; Y159-V206 WeakPolarHBondContact O-CA 3.02Å; Y159-L207 PolarHBondContact N-O 3.11Å; Y159-L207 PolarHBondContact O-N 3.03Å; Y159-L209 HydrophobicContact CD2-CB 4.24Å; Y159-L209 HydrophobicContact CD2-CD1 3.9Å; Y159-L209 HydrophobicContact CD2-CG 4.2Å; Y159-L209 HydrophobicContact CE2-CD1 4.5Å; Y159-L209 HydrophobicContact CG-CD1 4.2Å |
| 160 | Y | 98.4 | Very high | 95.9 | Very high | 154 Ų | 154 | 65.6 Ų | 65.6 | 60% | 0.604 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.4 | 170.4 | -176.3 | -106.4 | 0 | 0 | 0 | 109.5 | T162 V206 | Y160-T162 HydrophobicContact CD1-CG2 4.47Å; Y160-T162 HydrophobicContact CE1-CG2 3.86Å; Y160-V206 HydrophobicContact CD2-CG2 3.88Å |
| 161 | F | 98.4 | Very high | 95.7 | Very high | 17 Ų | 17 | 64.4 Ų | 64.4 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.4 | 174.3 | -63.4 | -88.3 | 0 | 0 | 0 | 109.1 | F117 F151 Y159 I175 G204 M205 L207 L209 V215 | F117-F161 HydrophobicContact CE1-CD1 4.13Å; F117-F161 AromaticContact CE1-CE1 3.92Å; F117-F161 HydrophobicContact CE1-CE1 3.92Å; F117-F161 HydrophobicContact CZ-CD1 4.36Å; F117-F161 HydrophobicContact CZ-CE1 4.46Å; F151-F161 HydrophobicContact CB-CE1 4.04Å; F151-F161 AromaticContact CD1-CE1 3.82Å; F151-F161 HydrophobicContact CD1-CE1 3.82Å; F151-F161 AromaticContact CD1-CZ 3.64Å; F151-F161 HydrophobicContact CD1-CZ 3.64Å; F151-F161 HydrophobicContact CD2-CE1 4.04Å; F151-F161 HydrophobicContact CD2-CZ 4.48Å; F151-F161 HydrophobicContact CE1-CE1 4.25Å; F151-F161 AromaticContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE2-CE1 4.41Å; F151-F161 AromaticContact CG-CE1 3.7Å; F151-F161 HydrophobicContact CG-CE1 3.7Å; F151-F161 HydrophobicContact CG-CZ 4.03Å; F151-F161 HydrophobicContact CZ-CZ 4.22Å; Y159-F161 VanDerWaalsContact CB-CE2 3.4Å; Y159-F161 HydrophobicContact CG-CE2 4.35Å; Y159-F161 HydrophobicContact CG-CZ 4.38Å; F161-I175 HydrophobicContact CB-CD1 4.15Å; F161-I175 HydrophobicContact CB-CG2 4.46Å; F161-G204 CarbonylContact O-C 3.38Å; F161-G204 WeakPolarHBondContact O-CA 3.04Å; F161-M205 PolarHBondContact N-O 2.61Å; F161-M205 PolarHBondContact O-N 3.2Å; F161-L207 HydrophobicContact CD2-CB 4.33Å; F161-L207 HydrophobicContact CD2-CD1 3.91Å; F161-L207 HydrophobicContact CD2-CG 4.32Å; F161-L207 HydrophobicContact CE2-CB 4.23Å; F161-L207 HydrophobicContact CE2-CD1 4.12Å; F161-L209 HydrophobicContact CE2-CD1 3.84Å; F161-L209 HydrophobicContact CZ-CD1 3.81Å; F161-V215 HydrophobicContact CD1-CB 4.46Å; F161-V215 HydrophobicContact CD1-CG1 3.98Å; F161-V215 HydrophobicContact CD2-CG1 4.1Å; F161-V215 HydrophobicContact CE1-CB 3.99Å; F161-V215 HydrophobicContact CE1-CG1 4.02Å; F161-V215 HydrophobicContact CE1-CG2 4.38Å; F161-V215 HydrophobicContact CE2-CB 4.27Å; F161-V215 HydrophobicContact CE2-CG1 4.13Å; F161-V215 HydrophobicContact CE2-CG2 3.89Å; F161-V215 HydrophobicContact CG-CG1 4.02Å; F161-V215 HydrophobicContact CZ-CB 3.9Å; F161-V215 HydrophobicContact CZ-CG1 4.11Å; F161-V215 HydrophobicContact CZ-CG2 3.78Å |
| 162 | T | 98.4 | Very high | 95.5 | Very high | 70 Ų | 70 | 65.9 Ų | 65.9 | 43% | 0.429 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 154 | 174.4 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | Y160 Q164 G203 | Y160-T162 HydrophobicContact CD1-CG2 4.47Å; Y160-T162 HydrophobicContact CE1-CG2 3.86Å; T162-Q164 PolarHBondContact OG1-NE2 2.87Å; T162-G203 CarbonylContact C-O 3.53Å; T162-G203 WeakPolarHBondContact CA-O 3.4Å; T162-G203 WeakPolarHBondContact CB-O 3.21Å; T162-G203 PolarHBondContact OG1-O 3.03Å |
| 163 | F | 97.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 153 | 172 | 63.8 | -101.5 | 0 | 0 | 0 | 110.4 | V165 L173 I175 F189 V201 S202 G203 V217 | F163-V165 HydrophobicContact CB-CG2 4.34Å; F163-V165 HydrophobicContact CD2-CG2 3.95Å; F163-V165 HydrophobicContact CG-CG2 4.47Å; F163-L173 HydrophobicContact CD2-CD1 3.99Å; F163-L173 HydrophobicContact CE1-CB 4.27Å; F163-L173 HydrophobicContact CE2-CB 3.9Å; F163-L173 HydrophobicContact CE2-CD1 3.7Å; F163-L173 HydrophobicContact CE2-CG 4.41Å; F163-L173 HydrophobicContact CZ-CB 3.6Å; F163-L173 HydrophobicContact CZ-CD1 4.24Å; F163-I175 HydrophobicContact CD1-CD1 4.05Å; F163-I175 HydrophobicContact CD1-CG1 3.87Å; F163-I175 HydrophobicContact CE1-CD1 4.15Å; F163-I175 HydrophobicContact CE1-CG1 3.8Å; F163-F189 HydrophobicContact CE1-CD2 4.11Å; F163-F189 HydrophobicContact CZ-CB 4.05Å; F163-F189 AromaticContact CZ-CD2 3.83Å; F163-F189 HydrophobicContact CZ-CD2 3.83Å; F163-F189 HydrophobicContact CZ-CG 4.2Å; F163-V201 HydrophobicContact CE2-CG1 4.31Å; F163-V201 HydrophobicContact CE2-CG2 4.37Å; F163-S202 VanDerWaalsContact O-CA 3.29Å; F163-S202 WeakPolarHBondContact O-CA 3.28Å; F163-G203 PolarHBondContact N-O 2.88Å; F163-G203 PolarHBondContact O-N 2.9Å; F163-V217 HydrophobicContact CB-CG2 4.4Å; F163-V217 HydrophobicContact CD1-CG1 4.45Å; F163-V217 HydrophobicContact CD1-CG2 3.93Å; F163-V217 HydrophobicContact CG-CG2 4.41Å |
| 164 | Q | 97.8 | Very high | 95.4 | Very high | 124 Ų | 124 | 64.8 Ų | 64.8 | 58% | 0.579 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 110.6 | 164.5 | -59.7 | 80.5 | 30.9 | 0 | 0 | 106.6 | T162 V200 V201 | T162-Q164 PolarHBondContact OG1-NE2 2.87Å; Q164-V200 HydrophobicContact CB-CG1 3.92Å; Q164-V201 WeakPolarHBondContact CA-O 3.33Å |
| 165 | V | 95.8 | Very high | 95.4 | Very high | 14 Ų | 14 | 60.8 Ų | 60.8 | 9% | 0.085 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131 | -174.9 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | F133 F163 I171 L173 V200 V201 | F133-V165 HydrophobicContact CE1-CG2 4.13Å; F133-V165 HydrophobicContact CZ-CG2 3.95Å; F163-V165 HydrophobicContact CB-CG2 4.34Å; F163-V165 HydrophobicContact CD2-CG2 3.95Å; F163-V165 HydrophobicContact CG-CG2 4.47Å; V165-I171 HydrophobicContact CG1-CD1 3.93Å; V165-L173 HydrophobicContact CB-CD1 3.58Å; V165-L173 HydrophobicContact CG1-CD1 3.93Å; V165-L173 HydrophobicContact CG2-CD1 3.55Å; V165-V200 WeakPolarHBondContact O-CA 3.29Å; V165-V201 HydrophobicContact CB-CG1 3.92Å; V165-V201 PolarHBondContact N-O 2.98Å; V165-V201 WeakPolarHBondContact O-CG1 3.48Å; V165-V201 PolarHBondContact O-N 2.83Å |
| 166 | L | 94.5 | Very high | 95.5 | Very high | 101 Ų | 101 | 58.6 Ų | 58.6 | 53% | 0.529 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 132.3 | 178.6 | -164.7 | 73.9 | 0 | 0 | 0 | 110.2 | F198 Q199 V200 | L166-F198 HydrophobicContact CD1-CB 4.06Å; L166-F198 HydrophobicContact CD1-CD1 4.31Å; L166-F198 HydrophobicContact CD2-CD1 3.58Å; L166-F198 HydrophobicContact CD2-CE1 3.93Å; L166-F198 HydrophobicContact CD2-CG 4.31Å; L166-F198 HydrophobicContact CG-CB 4.48Å; L166-F198 HydrophobicContact CG-CD1 3.83Å; L166-Q199 CarbonylContact C-O 3.56Å; L166-Q199 WeakPolarHBondContact CA-O 3.27Å; L166-V200 HydrophobicContact CD1-CG2 3.7Å |
| 167 | S | 89.5 | Confident | 95.5 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 150.1 | 172.1 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | W169 I171 Q199 | S167-W169 PolarHBondContact OG-N 3.24Å; S167-W169 VanDerWaalsContact OG-N 3.12Å; S167-W169 PolarHBondContact OG-O 2.76Å; S167-I171 VanDerWaalsContact CB-CG2 3.45Å; S167-Q199 PolarHBondContact N-O 3.21Å; S167-Q199 PolarHBondContact O-N 3.18Å |
| 168 | Q | 90.3 | Very high | 95.5 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -99.5 | -11 | 169.3 | -68.2 | 178 | -35.7 | 0 | 0 | 112.5 | G196 F198 | Q168-G196 VanDerWaalsContact O-CA 3.27Å; Q168-G196 WeakPolarHBondContact O-CA 3.21Å; Q168-G196 PolarHBondContact O-N 3.43Å; Q168-G196 VanDerWaalsContact O-N 3.15Å; Q168-F198 HydrophobicContact CG-CD1 3.41Å; Q168-F198 VanDerWaalsContact CG-CD1 3.41Å; Q168-F198 HydrophobicContact CG-CE1 3.5Å; Q168-F198 HydrophobicContact CG-CG 4.09Å; Q168-F198 HydrophobicContact CG-CZ 4.23Å |
| 169 | W | 87.3 | Confident | 95.4 | Very high | 154 Ų | 154 | 47.3 Ų | 47.3 | 58% | 0.583 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -127.5 | 179.8 | -173.3 | -54.7 | 112 | 0 | 0 | 0 | 110.2 | S167 I171 | S167-W169 PolarHBondContact OG-N 3.24Å; S167-W169 VanDerWaalsContact OG-N 3.12Å; S167-W169 PolarHBondContact OG-O 2.76Å; W169-I171 PolarHBondContact O-N 3.05Å |
| 170 | E | 90.6 | Very high | 95.1 | Very high | 115 Ų | 115 | 56.5 Ų | 56.5 | 54% | 0.537 | 26% | 0.262 | S | S | . | . | trans | -58.3 | 129.1 | 173.6 | -57.5 | -173.3 | 171.9 | 0 | 0 | 110.6 | D191 N194 | E170-D191 WeakPolarHBondContact CA-O 3.21Å; E170-N194 HydrophobicContact CG-CB 3.61Å; E170-N194 PolarHBondContact OE1-ND2 3.29Å | ||
| 171 | I | 93.4 | Very high | 94.5 | Very high | 32 Ų | 32 | 52.4 Ų | 52.4 | 16% | 0.164 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 130.3 | 178 | -168.4 | 168.8 | 0 | 0 | 0 | 109.2 | V165 S167 W169 L173 C190 D191 V201 | V165-I171 HydrophobicContact CG1-CD1 3.93Å; S167-I171 VanDerWaalsContact CB-CG2 3.45Å; W169-I171 PolarHBondContact O-N 3.05Å; I171-L173 HydrophobicContact CD1-CD1 4.13Å; I171-L173 HydrophobicContact CD1-CD2 4.05Å; I171-L173 HydrophobicContact CD1-CG 4.13Å; I171-L173 HydrophobicContact CG1-CD1 4.46Å; I171-L173 HydrophobicContact CG1-CD2 3.97Å; I171-L173 HydrophobicContact CG1-CG 3.97Å; I171-C190 CarbonylContact O-C 3.58Å; I171-C190 WeakPolarHBondContact O-CA 2.98Å; I171-D191 HydrophobicContact CG2-CB 4.23Å; I171-D191 PolarHBondContact N-O 2.86Å; I171-D191 PolarHBondContact O-N 3.17Å; I171-V201 HydrophobicContact CD1-CG1 4.47Å; I171-V201 HydrophobicContact CG2-CB 4.07Å; I171-V201 HydrophobicContact CG2-CG1 3.67Å |
| 172 | C | 95.1 | Very high | 94.3 | Very high | 34 Ų | 34 | 58.7 Ų | 58.7 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125.6 | 171.8 | -77.4 | 0 | 0 | 0 | 0 | 108.4 | F189 C190 K219 D220 | C172-F189 WeakPolarHBondContact CA-O 3.48Å; C172-C190 HydrophobicContact CB-CB 4.15Å; C172-C190 WeakPolarHBondContact CB-SG 3.47Å; C172-C190 WeakPolarHBondContact SG-CB 3.42Å; C172-C190 CovalentContact SG-SG 2.04Å; C172-C190 PolarHBondContact SG-SG 2.98Å; C172-K219 WeakPolarHBondContact O-CA 3.37Å; C172-D220 HydrophobicContact CB-CB 3.98Å; C172-D220 PolarHBondContact O-N 2.82Å |
| 173 | L | 96.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.6 | -177.1 | -61.6 | -178.2 | 0 | 0 | 0 | 110.9 | V131 F163 V165 I171 G188 F189 V201 V217 E218 K219 | V131-L173 HydrophobicContact CG2-CD2 3.87Å; F163-L173 HydrophobicContact CD2-CD1 3.99Å; F163-L173 HydrophobicContact CE1-CB 4.27Å; F163-L173 HydrophobicContact CE2-CB 3.9Å; F163-L173 HydrophobicContact CE2-CD1 3.7Å; F163-L173 HydrophobicContact CE2-CG 4.41Å; F163-L173 HydrophobicContact CZ-CB 3.6Å; F163-L173 HydrophobicContact CZ-CD1 4.24Å; V165-L173 HydrophobicContact CB-CD1 3.58Å; V165-L173 HydrophobicContact CG1-CD1 3.93Å; V165-L173 HydrophobicContact CG2-CD1 3.55Å; I171-L173 HydrophobicContact CD1-CD1 4.13Å; I171-L173 HydrophobicContact CD1-CD2 4.05Å; I171-L173 HydrophobicContact CD1-CG 4.13Å; I171-L173 HydrophobicContact CG1-CD1 4.46Å; I171-L173 HydrophobicContact CG1-CD2 3.97Å; I171-L173 HydrophobicContact CG1-CG 3.97Å; L173-G188 CarbonylContact O-C 3.4Å; L173-G188 VanDerWaalsContact O-CA 3.31Å; L173-G188 WeakPolarHBondContact O-CA 3.31Å; L173-F189 PolarHBondContact N-O 3.15Å; L173-F189 PolarHBondContact O-N 3.49Å; L173-V201 HydrophobicContact CD1-CG1 3.7Å; L173-V201 HydrophobicContact CG-CG1 4.29Å; L173-V217 HydrophobicContact CB-CG1 4.06Å; L173-V217 HydrophobicContact CD1-CG1 4.27Å; L173-V217 HydrophobicContact CD2-CG1 4.19Å; L173-V217 HydrophobicContact CG-CG1 4.41Å; L173-E218 CarbonylContact C-O 3.54Å; L173-E218 VanDerWaalsContact CA-O 3.27Å; L173-E218 WeakPolarHBondContact CA-O 3.29Å; L173-K219 HydrophobicContact CD2-CB 3.7Å |
| 174 | S | 96.9 | Very high | 93.9 | Very high | 9 Ų | 9 | 65.2 Ų | 65.2 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.2 | 175.3 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | V176 S186 L187 V217 E218 | S174-V176 PolarHBondContact O-N 3.07Å; S174-S186 PolarHBondContact OG-O 3.21Å; S174-L187 PolarHBondContact OG-O 2.81Å; S174-V217 WeakPolarHBondContact O-CA 3.49Å; S174-E218 PolarHBondContact N-O 3.48Å; S174-E218 PolarHBondContact O-N 3.3Å |
| 175 | I | 97.5 | Very high | 93.4 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 112.5 | 168.3 | -62.6 | 172.2 | 0 | 0 | 0 | 107.4 | F161 F163 S186 M205 L207 V215 | F161-I175 HydrophobicContact CB-CD1 4.15Å; F161-I175 HydrophobicContact CB-CG2 4.46Å; F163-I175 HydrophobicContact CD1-CD1 4.05Å; F163-I175 HydrophobicContact CD1-CG1 3.87Å; F163-I175 HydrophobicContact CE1-CD1 4.15Å; F163-I175 HydrophobicContact CE1-CG1 3.8Å; I175-S186 WeakPolarHBondContact O-CB 3.27Å; I175-M205 HydrophobicContact CB-CG 4.46Å; I175-M205 HydrophobicContact CB-SD 4.46Å; I175-M205 HydrophobicContact CD1-CG 4.05Å; I175-M205 HydrophobicContact CG2-CG 4.44Å; I175-L207 HydrophobicContact CG2-CD1 4.14Å; I175-V215 HydrophobicContact CG2-CG1 3.65Å |
| 176 | V | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 141.8 | -178.7 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | S174 V183 V215 W216 E218 | S174-V176 PolarHBondContact O-N 3.07Å; V176-V183 HydrophobicContact CG1-CG1 3.46Å; V176-V183 VanDerWaalsContact CG1-CG1 3.46Å; V176-V215 CarbonylContact O-C 3.49Å; V176-V215 WeakPolarHBondContact O-CA 3.47Å; V176-W216 HydrophobicContact CB-CD2 4.32Å; V176-W216 HydrophobicContact CB-CZ2 4.05Å; V176-W216 HydrophobicContact CG1-CH2 3.91Å; V176-W216 HydrophobicContact CG1-CZ2 3.45Å; V176-W216 VanDerWaalsContact CG1-CZ2 3.45Å; V176-W216 PolarHBondContact N-O 2.9Å; V176-W216 PolarHBondContact O-N 3.34Å; V176-E218 HydrophobicContact CG2-CB 3.98Å; V176-E218 HydrophobicContact CG2-CG 4.15Å |
| 177 | S | 97.5 | Very high | 92.7 | Very high | 14 Ų | 14 | 68.3 Ų | 68.3 | 10% | 0.098 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 161.5 | 171.8 | 62 | 0 | 0 | 0 | 0 | 111.7 | R184 Q214 | S177-R184 PolarHBondContact N-O 2.87Å; S177-R184 PolarHBondContact O-N 2.73Å; S177-Q214 CarbonylContact C-O 3.57Å; S177-Q214 WeakPolarHBondContact CA-O 3.41Å; S177-Q214 WeakPolarHBondContact CB-O 3.23Å |
| 178 | S | 97.4 | Very high | 92.9 | Very high | 13 Ų | 13 | 69.4 Ų | 69.4 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 138.6 | 167.6 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | G181 Q182 D213 Q214 | S178-G181 WeakPolarHBondContact OG-CA 3.34Å; S178-Q182 CarbonylContact C-O 3.56Å; S178-Q182 WeakPolarHBondContact CA-O 2.95Å; S178-Q182 WeakPolarHBondContact CB-O 3.37Å; S178-Q182 PolarHBondContact OG-N 3.12Å; S178-Q182 PolarHBondContact OG-O 2.85Å; S178-D213 CarbonylContact O-C 3.54Å; S178-D213 VanDerWaalsContact O-CA 3.23Å; S178-D213 WeakPolarHBondContact O-CA 3.48Å; S178-D213 WeakPolarHBondContact O-CB 3.37Å; S178-Q214 PolarHBondContact N-O 3.43Å; S178-Q214 PolarHBondContact O-N 2.93Å |
| 179 | S | 95.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 68.5 Ų | 68.5 | 5% | 0.049 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.9 | 170 | -170.7 | 0 | 0 | 0 | 0 | 109.6 | G181 Q182 D213 | S179-G181 PolarHBondContact O-N 2.94Å; S179-Q182 PolarHBondContact N-O 2.04Å; S179-Q182 PolarHBondContact O-N 2.88Å; S179-D213 WeakPolarHBondContact CA-OD1 3.47Å; S179-D213 WeakPolarHBondContact CB-OD1 3.38Å; S179-D213 PolarHBondContact OG-OD1 3.46Å |
| 180 | R | 91.9 | Very high | 93.5 | Very high | 222 Ų | 222 | 64.6 Ų | 64.6 | 84% | 0.838 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 36.9 | -175.9 | -53.4 | -177.5 | -177.4 | -148.1 | -1.3 | 113.4 | Q182 | R180-Q182 PolarHBondContact O-N 2.89Š|
| 181 | G | 85.5 | Confident | 93.7 | Very high | 69 Ų | 69 | 60.5 Ų | 60.5 | 71% | 0.711 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -4.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | S178 S179 | S178-G181 WeakPolarHBondContact OG-CA 3.34Å; S179-G181 PolarHBondContact O-N 2.94Å |
| 182 | Q | 93.6 | Very high | 93.6 | Very high | 148 Ų | 148 | 63.3 Ų | 63.3 | 69% | 0.692 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 131.5 | 172.1 | -68.3 | -160.3 | -21.5 | 0 | 0 | 110.6 | S178 S179 R180 | S178-Q182 CarbonylContact C-O 3.56Å; S178-Q182 WeakPolarHBondContact CA-O 2.95Å; S178-Q182 WeakPolarHBondContact CB-O 3.37Å; S178-Q182 PolarHBondContact OG-N 3.12Å; S178-Q182 PolarHBondContact OG-O 2.85Å; S179-Q182 PolarHBondContact N-O 2.04Å; S179-Q182 PolarHBondContact O-N 2.88Å; R180-Q182 PolarHBondContact O-N 2.89Å |
| 183 | V | 93.6 | Very high | 93.2 | Very high | 79 Ų | 79 | 64.5 Ų | 64.5 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 132.4 | 180 | -179.8 | 0 | 0 | 0 | 0 | 110 | V176 R185 W216 | V176-V183 HydrophobicContact CG1-CG1 3.46Å; V176-V183 VanDerWaalsContact CG1-CG1 3.46Å; V183-R185 HydrophobicContact CG1-CG 4.49Å; V183-W216 HydrophobicContact CG1-CZ2 4.45Å; V183-W216 HydrophobicContact CG2-CH2 4.39Å |
| 184 | R | 93.4 | Very high | 92.6 | Very high | 134 Ų | 134 | 68.1 Ų | 68.1 | 51% | 0.506 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 106.7 | 174.1 | -64.3 | -178.1 | -179.5 | 175.6 | 1.6 | 108.5 | S177 | S177-R184 PolarHBondContact N-O 2.87Å; S177-R184 PolarHBondContact O-N 2.73Å |
| 185 | R | 88.1 | Confident | 92.2 | Very high | 145 Ų | 145 | 75.3 Ų | 75.3 | 55% | 0.547 | 40% | 0.395 | S | S | . | . | trans | -75.8 | 145.6 | 175.7 | -62.9 | -67.3 | 179.7 | 169 | -10.7 | 109.9 | V183 E218 | V183-R185 HydrophobicContact CG1-CG 4.49Å; R185-E218 IonicContact CZ-OE2 3.1Å; R185-E218 VanDerWaalsContact NH1-CD 3.31Å; R185-E218 IonicContact NH1-OE1 3.88Å; R185-E218 IonicContact NH1-OE2 2.61Å; R185-E218 PolarHBondContact NH1-OE2 3.23Å; R185-E218 IonicContact NH2-OE1 3.47Å; R185-E218 PolarHBondContact NH2-OE1 3.09Å; R185-E218 IonicContact NH2-OE2 2.73Å; R185-E218 PolarHBondContact NH2-OE2 3.43Å | ||
| 186 | S | 87.6 | Confident | 91.7 | Very high | 40 Ų | 40 | 76.5 Ų | 76.5 | 28% | 0.28 | 41% | 0.409 | S | S | . | . | trans | -129.7 | -174.6 | -179 | -153.3 | 0 | 0 | 0 | 0 | 111.2 | S174 I175 G188 M205 | S174-S186 PolarHBondContact OG-O 3.21Å; I175-S186 WeakPolarHBondContact O-CB 3.27Å; S186-G188 PolarHBondContact O-N 3.16Å; S186-M205 WeakPolarHBondContact OG-CE 3.36Å; S186-M205 PolarHBondContact OG-SD 3Å | ||
| 187 | L | 88.4 | Confident | 91.5 | Very high | 119 Ų | 119 | 81.5 Ų | 81.5 | 62% | 0.623 | 44% | 0.435 | S | S | * | . | trans | -56.6 | 138.4 | 178.9 | -71 | 84.8 | 0 | 0 | 0 | 111.2 | S174 M205 | S174-L187 PolarHBondContact OG-O 2.81Å; L187-M205 HydrophobicContact CD1-CE 3.93Å | ||
| 188 | G | 92.8 | Very high | 91.2 | Very high | 44 Ų | 44 | 87.2 Ų | 87.2 | 45% | 0.454 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 151.7 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | L173 S186 | L173-G188 CarbonylContact O-C 3.4Å; L173-G188 VanDerWaalsContact O-CA 3.31Å; L173-G188 WeakPolarHBondContact O-CA 3.31Å; S186-G188 PolarHBondContact O-N 3.16Å |
| 189 | F | 96.2 | Very high | 91 | Very high | 56 Ų | 56 | 89.6 Ų | 89.6 | 25% | 0.246 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.9 | 175.6 | -56.1 | -95.7 | 0 | 0 | 0 | 107.5 | F163 C172 L173 V201 | F163-F189 HydrophobicContact CE1-CD2 4.11Å; F163-F189 HydrophobicContact CZ-CB 4.05Å; F163-F189 AromaticContact CZ-CD2 3.83Å; F163-F189 HydrophobicContact CZ-CD2 3.83Å; F163-F189 HydrophobicContact CZ-CG 4.2Å; C172-F189 WeakPolarHBondContact CA-O 3.48Å; L173-F189 PolarHBondContact N-O 3.15Å; L173-F189 PolarHBondContact O-N 3.49Å; F189-V201 HydrophobicContact CB-CG2 4.09Å |
| 190 | C | 95.1 | Very high | 91.1 | Very high | 72 Ų | 72 | 93.3 Ų | 93.3 | 49% | 0.486 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.7 | -173.6 | -60 | 0 | 0 | 0 | 0 | 111.4 | I171 C172 T192 | I171-C190 CarbonylContact O-C 3.58Å; I171-C190 WeakPolarHBondContact O-CA 2.98Å; C172-C190 HydrophobicContact CB-CB 4.15Å; C172-C190 WeakPolarHBondContact CB-SG 3.47Å; C172-C190 WeakPolarHBondContact SG-CB 3.42Å; C172-C190 CovalentContact SG-SG 2.04Å; C172-C190 PolarHBondContact SG-SG 2.98Å; C190-T192 HydrophobicContact CB-CG2 4.45Å |
| 191 | D | 93.5 | Very high | 91.3 | Very high | 29 Ų | 29 | 83.1 Ų | 83.1 | 16% | 0.155 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.2 | 159.3 | -169 | -51.4 | 0 | 0 | 0 | 107.9 | E170 I171 T193 Q199 V201 | E170-D191 WeakPolarHBondContact CA-O 3.21Å; I171-D191 HydrophobicContact CG2-CB 4.23Å; I171-D191 PolarHBondContact N-O 2.86Å; I171-D191 PolarHBondContact O-N 3.17Å; D191-T193 WeakPolarHBondContact OD1-CB 3.45Å; D191-T193 PolarHBondContact OD1-N 3.32Å; D191-T193 PolarHBondContact OD1-OG1 2.68Å; D191-Q199 VanDerWaalsContact OD2-CB 3.29Å; D191-Q199 WeakPolarHBondContact OD2-CB 3.04Å; D191-V201 HydrophobicContact CB-CB 4.15Å |
| 192 | T | 91.8 | Very high | 91.8 | Very high | 91 Ų | 91 | 83.2 Ų | 83.2 | 56% | 0.558 | 44% | 0.442 | S | S | * | . | trans | -117.1 | 23 | -177.7 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | C190 N194 | C190-T192 HydrophobicContact CB-CG2 4.45Å; T192-N194 PolarHBondContact O-N 2.89Å | ||
| 193 | T | 87.5 | Confident | 91.9 | Very high | 58 Ų | 58 | 76.5 Ų | 76.5 | 36% | 0.356 | 41% | 0.412 | S | S | . | . | trans | -56.4 | -38.9 | -177.6 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | D191 K195 Q199 | D191-T193 WeakPolarHBondContact OD1-CB 3.45Å; D191-T193 PolarHBondContact OD1-N 3.32Å; D191-T193 PolarHBondContact OD1-OG1 2.68Å; T193-K195 VanDerWaalsContact C-N 3.3Å; T193-K195 HydrophobicContact CG2-CB 4.25Å; T193-K195 HydrophobicContact CG2-CD 4.07Å; T193-K195 HydrophobicContact CG2-CG 4.3Å; T193-K195 WeakPolarHBondContact O-CG 3.47Å; T193-K195 PolarHBondContact O-N 3.35Å; T193-Q199 HydrophobicContact CG2-CG 4.27Å | ||
| 194 | N | 83.3 | Confident | 92.1 | Very high | 78 Ų | 78 | 73.9 Ų | 73.9 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | trans | 51.6 | 39.9 | 169.5 | -155.3 | 8.5 | 0 | 0 | 0 | 115.4 | E170 T192 | E170-N194 HydrophobicContact CG-CB 3.61Å; E170-N194 PolarHBondContact OE1-ND2 3.29Å; T192-N194 PolarHBondContact O-N 2.89Å | ||
| 195 | K | 89 | Confident | 92.2 | Very high | 160 Ų | 160 | 69.1 Ų | 69.1 | 70% | 0.696 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -113.4 | 8.6 | -176.8 | -76.8 | 174 | -172.9 | -175.5 | 0 | 114.2 | T193 L197 | T193-K195 VanDerWaalsContact C-N 3.3Å; T193-K195 HydrophobicContact CG2-CB 4.25Å; T193-K195 HydrophobicContact CG2-CD 4.07Å; T193-K195 HydrophobicContact CG2-CG 4.3Å; T193-K195 WeakPolarHBondContact O-CG 3.47Å; T193-K195 PolarHBondContact O-N 3.35Å; K195-L197 HydrophobicContact CB-CD1 4.49Å; K195-L197 HydrophobicContact CB-CG 4.4Å; K195-L197 PolarHBondContact O-N 3.45Å; K195-L197 VanDerWaalsContact O-N 3.16Å |
| 196 | G | 87.7 | Confident | 92.7 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 30% | 0.299 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 69.1 | 4.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q168 | Q168-G196 VanDerWaalsContact O-CA 3.27Å; Q168-G196 WeakPolarHBondContact O-CA 3.21Å; Q168-G196 PolarHBondContact O-N 3.43Å; Q168-G196 VanDerWaalsContact O-N 3.15Å |
| 197 | L | 91.1 | Very high | 93.1 | Very high | 105 Ų | 105 | 65.9 Ų | 65.9 | 55% | 0.55 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -89.2 | 141.4 | 174.8 | -63.7 | 176.7 | 0 | 0 | 0 | 109.4 | K195 Q199 | K195-L197 HydrophobicContact CB-CD1 4.49Å; K195-L197 HydrophobicContact CB-CG 4.4Å; K195-L197 PolarHBondContact O-N 3.45Å; K195-L197 VanDerWaalsContact O-N 3.16Å; L197-Q199 PolarHBondContact O-N 3.48Å |
| 198 | F | 92.4 | Very high | 93.5 | Very high | 133 Ų | 133 | 66.2 Ų | 66.2 | 58% | 0.583 | 38% | 0.377 | S | S | * | . | trans | -62.1 | 119.6 | 174 | -71.1 | -65.8 | 0 | 0 | 0 | 111.2 | L166 Q168 | L166-F198 HydrophobicContact CD1-CB 4.06Å; L166-F198 HydrophobicContact CD1-CD1 4.31Å; L166-F198 HydrophobicContact CD2-CD1 3.58Å; L166-F198 HydrophobicContact CD2-CE1 3.93Å; L166-F198 HydrophobicContact CD2-CG 4.31Å; L166-F198 HydrophobicContact CG-CB 4.48Å; L166-F198 HydrophobicContact CG-CD1 3.83Å; Q168-F198 HydrophobicContact CG-CD1 3.41Å; Q168-F198 VanDerWaalsContact CG-CD1 3.41Å; Q168-F198 HydrophobicContact CG-CE1 3.5Å; Q168-F198 HydrophobicContact CG-CG 4.09Å; Q168-F198 HydrophobicContact CG-CZ 4.23Å | ||
| 199 | Q | 93.8 | Very high | 93.7 | Very high | 63 Ų | 63 | 64.4 Ų | 64.4 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 153.3 | 172.7 | -57.2 | -54.3 | -44.5 | 0 | 0 | 110 | L166 S167 D191 T193 L197 | L166-Q199 CarbonylContact C-O 3.56Å; L166-Q199 WeakPolarHBondContact CA-O 3.27Å; S167-Q199 PolarHBondContact N-O 3.21Å; S167-Q199 PolarHBondContact O-N 3.18Å; D191-Q199 VanDerWaalsContact OD2-CB 3.29Å; D191-Q199 WeakPolarHBondContact OD2-CB 3.04Å; T193-Q199 HydrophobicContact CG2-CG 4.27Å; L197-Q199 PolarHBondContact O-N 3.48Å |
| 200 | V | 95.8 | Very high | 93.8 | Very high | 86 Ų | 86 | 66.5 Ų | 66.5 | 52% | 0.521 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 113.8 | 177.2 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | Q164 V165 L166 | Q164-V200 HydrophobicContact CB-CG1 3.92Å; V165-V200 WeakPolarHBondContact O-CA 3.29Å; L166-V200 HydrophobicContact CD1-CG2 3.7Å |
| 201 | V | 96.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 69.8 Ų | 69.8 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 130.6 | 167 | 65.3 | 0 | 0 | 0 | 0 | 108.8 | F163 Q164 V165 I171 L173 F189 D191 | F163-V201 HydrophobicContact CE2-CG1 4.31Å; F163-V201 HydrophobicContact CE2-CG2 4.37Å; Q164-V201 WeakPolarHBondContact CA-O 3.33Å; V165-V201 HydrophobicContact CB-CG1 3.92Å; V165-V201 PolarHBondContact N-O 2.98Å; V165-V201 WeakPolarHBondContact O-CG1 3.48Å; V165-V201 PolarHBondContact O-N 2.83Å; I171-V201 HydrophobicContact CD1-CG1 4.47Å; I171-V201 HydrophobicContact CG2-CB 4.07Å; I171-V201 HydrophobicContact CG2-CG1 3.67Å; L173-V201 HydrophobicContact CD1-CG1 3.7Å; L173-V201 HydrophobicContact CG-CG1 4.29Å; F189-V201 HydrophobicContact CB-CG2 4.09Å; D191-V201 HydrophobicContact CB-CB 4.15Å |
| 202 | S | 96.9 | Very high | 94 | Very high | 72 Ų | 72 | 70.7 Ų | 70.7 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 142.4 | 178.5 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | F163 | F163-S202 VanDerWaalsContact O-CA 3.29Å; F163-S202 WeakPolarHBondContact O-CA 3.28Å |
| 203 | G | 96.2 | Very high | 94.3 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 6% | 0.062 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 161.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T162 F163 | T162-G203 CarbonylContact C-O 3.53Å; T162-G203 WeakPolarHBondContact CA-O 3.4Å; T162-G203 WeakPolarHBondContact CB-O 3.21Å; T162-G203 PolarHBondContact OG1-O 3.03Å; F163-G203 PolarHBondContact N-O 2.88Å; F163-G203 PolarHBondContact O-N 2.9Å |
| 204 | G | 96.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 66.7 Ų | 66.7 | 26% | 0.258 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 154.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | F161 | F161-G204 CarbonylContact O-C 3.38Å; F161-G204 WeakPolarHBondContact O-CA 3.04Å |
| 205 | M | 96.4 | Very high | 95.6 | Very high | 34 Ų | 34 | 63.2 Ų | 63.2 | 17% | 0.167 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 159.6 | 175.4 | 55.8 | 171.6 | 25.8 | 0 | 0 | 113.3 | F161 I175 S186 L187 L207 | F161-M205 PolarHBondContact N-O 2.61Å; F161-M205 PolarHBondContact O-N 3.2Å; I175-M205 HydrophobicContact CB-CG 4.46Å; I175-M205 HydrophobicContact CB-SD 4.46Å; I175-M205 HydrophobicContact CD1-CG 4.05Å; I175-M205 HydrophobicContact CG2-CG 4.44Å; S186-M205 WeakPolarHBondContact OG-CE 3.36Å; S186-M205 PolarHBondContact OG-SD 3Å; L187-M205 HydrophobicContact CD1-CE 3.93Å; M205-L207 HydrophobicContact CG-CD2 4.4Å; M205-L207 HydrophobicContact CG-CG 4.25Å; M205-L207 HydrophobicContact SD-CD2 3.71Å; M205-L207 HydrophobicContact SD-CG 4.16Å |
| 206 | V | 97.7 | Very high | 96 | Very high | 91 Ų | 91 | 56.1 Ų | 56.1 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 131.9 | 168.1 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | Y158 Y159 Y160 | Y158-V206 HydrophobicContact CD1-CG1 4.11Å; Y159-V206 CarbonylContact O-C 3.58Å; Y159-V206 VanDerWaalsContact O-CA 3.28Å; Y159-V206 WeakPolarHBondContact O-CA 3.02Å; Y160-V206 HydrophobicContact CD2-CG2 3.88Å |
| 207 | L | 96.8 | Very high | 96.5 | Very high | 26 Ų | 26 | 55.5 Ų | 55.5 | 14% | 0.136 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.9 | 174.2 | -67.8 | 176.7 | 0 | 0 | 0 | 110 | Y158 Y159 F161 I175 M205 L209 V215 | Y158-L207 WeakPolarHBondContact CA-O 3.38Å; Y159-L207 PolarHBondContact N-O 3.11Å; Y159-L207 PolarHBondContact O-N 3.03Å; F161-L207 HydrophobicContact CD2-CB 4.33Å; F161-L207 HydrophobicContact CD2-CD1 3.91Å; F161-L207 HydrophobicContact CD2-CG 4.32Å; F161-L207 HydrophobicContact CE2-CB 4.23Å; F161-L207 HydrophobicContact CE2-CD1 4.12Å; I175-L207 HydrophobicContact CG2-CD1 4.14Å; M205-L207 HydrophobicContact CG-CD2 4.4Å; M205-L207 HydrophobicContact CG-CG 4.25Å; M205-L207 HydrophobicContact SD-CD2 3.71Å; M205-L207 HydrophobicContact SD-CG 4.16Å; L207-L209 HydrophobicContact CB-CD2 4.04Å; L207-L209 HydrophobicContact CB-CG 4.3Å; L207-V215 HydrophobicContact CD1-CG1 3.9Å; L207-V215 HydrophobicContact CD1-CG2 3.93Å |
| 208 | Q | 97.3 | Very high | 96.7 | Very high | 126 Ų | 126 | 51.3 Ų | 51.3 | 59% | 0.589 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 120.2 | 167.2 | -168.9 | 178.1 | 7.4 | 0 | 0 | 108.9 | G157 Y158 | G157-Q208 WeakPolarHBondContact O-CA 3.38Å; Y158-Q208 HydrophobicContact CD1-CB 3.83Å; Y158-Q208 HydrophobicContact CD1-CG 4.12Å; Y158-Q208 HydrophobicContact CE1-CB 3.61Å; Y158-Q208 HydrophobicContact CE1-CG 3.74Å; Y158-Q208 HydrophobicContact CE2-CG 4.32Å; Y158-Q208 VanDerWaalsContact CZ-CD 3.48Å; Y158-Q208 VanDerWaalsContact OH-CD 3.29Å; Y158-Q208 PolarHBondContact OH-NE2 3.06Å; Y158-Q208 PolarHBondContact OH-OE1 3.43Å |
| 209 | L | 97.4 | Very high | 96.8 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.6 | -173.8 | -59 | -178.5 | 0 | 0 | 0 | 111.8 | F151 C153 P156 G157 Y159 F161 L207 D213 V215 | F151-L209 HydrophobicContact CD1-CD1 4.27Å; F151-L209 HydrophobicContact CE1-CD1 3.78Å; C153-L209 HydrophobicContact CB-CB 4.02Å; C153-L209 HydrophobicContact CB-CD1 4.08Å; P156-L209 VanDerWaalsContact CA-O 3.32Å; P156-L209 WeakPolarHBondContact CA-O 3.36Å; G157-L209 PolarHBondContact N-O 3.06Å; G157-L209 PolarHBondContact O-N 3.47Å; Y159-L209 HydrophobicContact CD2-CB 4.24Å; Y159-L209 HydrophobicContact CD2-CD1 3.9Å; Y159-L209 HydrophobicContact CD2-CG 4.2Å; Y159-L209 HydrophobicContact CE2-CD1 4.5Å; Y159-L209 HydrophobicContact CG-CD1 4.2Å; F161-L209 HydrophobicContact CE2-CD1 3.84Å; F161-L209 HydrophobicContact CZ-CD1 3.81Å; L207-L209 HydrophobicContact CB-CD2 4.04Å; L207-L209 HydrophobicContact CB-CG 4.3Å; L209-D213 HydrophobicContact CB-CB 4.3Å; L209-D213 HydrophobicContact CD2-CB 4.14Å; L209-V215 HydrophobicContact CD1-CG2 3.74Å; L209-V215 HydrophobicContact CD2-CG2 3.8Å; L209-V215 HydrophobicContact CG-CG2 4.43Å |
| 210 | Q | 97.6 | Very high | 96.4 | Very high | 99 Ų | 99 | 53.8 Ų | 53.8 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | trans | -96 | 164.1 | 166.5 | -63 | 178.6 | 38.9 | 0 | 0 | 110.3 | C153 G212 D213 | C153-Q210 VanDerWaalsContact CB-O 3.3Å; C153-Q210 WeakPolarHBondContact CB-O 3.45Å; C153-Q210 PolarHBondContact SG-O 2.89Å; Q210-G212 PolarHBondContact O-N 3.34Å; Q210-D213 PolarHBondContact N-OD2 3.02Å; Q210-D213 VanDerWaalsContact O-CB 3.28Å; Q210-D213 WeakPolarHBondContact O-CB 3.36Å; Q210-D213 PolarHBondContact O-N 2.94Å; Q210-D213 VanDerWaalsContact O-N 3.1Å | ||
| 211 | Q | 97.2 | Very high | 96.5 | Very high | 142 Ų | 142 | 52.2 Ų | 52.2 | 66% | 0.664 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 131.4 | 176.2 | -174 | 177 | 31.6 | 0 | 0 | 110.2 | P156 D213 | P156-Q211 HydrophobicContact CG-CB 4.09Å; Q211-D213 VanDerWaalsContact C-N 3.3Å |
| 212 | G | 96.6 | Very high | 96.5 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 49% | 0.485 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | -9.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | C153 Q210 | C153-G212 PolarHBondContact O-N 3.4Å; Q210-G212 PolarHBondContact O-N 3.34Å |
| 213 | D | 98.3 | Very high | 96.4 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | trans | -62.2 | 145 | 172 | -71.1 | -6.4 | 0 | 0 | 0 | 110.1 | C153 S178 S179 L209 Q210 Q211 | C153-D213 HydrophobicContact CB-CB 4.39Å; C153-D213 WeakPolarHBondContact CB-O 3.19Å; C153-D213 PolarHBondContact N-O 2.74Å; S178-D213 CarbonylContact O-C 3.54Å; S178-D213 VanDerWaalsContact O-CA 3.23Å; S178-D213 WeakPolarHBondContact O-CA 3.48Å; S178-D213 WeakPolarHBondContact O-CB 3.37Å; S179-D213 WeakPolarHBondContact CA-OD1 3.47Å; S179-D213 WeakPolarHBondContact CB-OD1 3.38Å; S179-D213 PolarHBondContact OG-OD1 3.46Å; L209-D213 HydrophobicContact CB-CB 4.3Å; L209-D213 HydrophobicContact CD2-CB 4.14Å; Q210-D213 PolarHBondContact N-OD2 3.02Å; Q210-D213 VanDerWaalsContact O-CB 3.28Å; Q210-D213 WeakPolarHBondContact O-CB 3.36Å; Q210-D213 PolarHBondContact O-N 2.94Å; Q210-D213 VanDerWaalsContact O-N 3.1Å; Q211-D213 VanDerWaalsContact C-N 3.3Å | ||
| 214 | Q | 98.3 | Very high | 96.5 | Very high | 59 Ų | 59 | 56.4 Ų | 56.4 | 28% | 0.276 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 149.3 | -179.7 | -62.7 | -172.7 | -5.5 | 0 | 0 | 111.5 | F151 V152 S177 S178 W216 | F151-Q214 CarbonylContact O-C 3.44Å; F151-Q214 WeakPolarHBondContact O-CA 3.46Å; V152-Q214 HydrophobicContact CG2-CG 4.26Å; S177-Q214 CarbonylContact C-O 3.57Å; S177-Q214 WeakPolarHBondContact CA-O 3.41Å; S177-Q214 WeakPolarHBondContact CB-O 3.23Å; S178-Q214 PolarHBondContact N-O 3.43Å; S178-Q214 PolarHBondContact O-N 2.93Å; Q214-W216 HydrophobicContact CB-CE3 4.09Å; Q214-W216 HydrophobicContact CB-CZ3 3.89Å |
| 215 | V | 98.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 137.8 | 174.9 | -175.2 | 0 | 0 | 0 | 0 | 110 | F151 F161 I175 V176 L207 L209 | F151-V215 HydrophobicContact CB-CB 4.34Å; F151-V215 HydrophobicContact CD1-CB 4.39Å; F151-V215 HydrophobicContact CD1-CG2 4.43Å; F151-V215 PolarHBondContact N-O 2.97Å; F151-V215 PolarHBondContact O-N 2.83Å; F161-V215 HydrophobicContact CD1-CB 4.46Å; F161-V215 HydrophobicContact CD1-CG1 3.98Å; F161-V215 HydrophobicContact CD2-CG1 4.1Å; F161-V215 HydrophobicContact CE1-CB 3.99Å; F161-V215 HydrophobicContact CE1-CG1 4.02Å; F161-V215 HydrophobicContact CE1-CG2 4.38Å; F161-V215 HydrophobicContact CE2-CB 4.27Å; F161-V215 HydrophobicContact CE2-CG1 4.13Å; F161-V215 HydrophobicContact CE2-CG2 3.89Å; F161-V215 HydrophobicContact CG-CG1 4.02Å; F161-V215 HydrophobicContact CZ-CB 3.9Å; F161-V215 HydrophobicContact CZ-CG1 4.11Å; F161-V215 HydrophobicContact CZ-CG2 3.78Å; I175-V215 HydrophobicContact CG2-CG1 3.65Å; V176-V215 CarbonylContact O-C 3.49Å; V176-V215 WeakPolarHBondContact O-CA 3.47Å; L207-V215 HydrophobicContact CD1-CG1 3.9Å; L207-V215 HydrophobicContact CD1-CG2 3.93Å; L209-V215 HydrophobicContact CD1-CG2 3.74Å; L209-V215 HydrophobicContact CD2-CG2 3.8Å; L209-V215 HydrophobicContact CG-CG2 4.43Å |
| 216 | W | 98 | Very high | 96.5 | Very high | 11 Ų | 11 | 60 Ų | 60 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 169.7 | 177.7 | 63.3 | 97.6 | 0 | 0 | 0 | 111.3 | V130 G149 R150 V176 V183 Q214 E218 | V130-W216 HydrophobicContact CG1-CB 4.27Å; V130-W216 HydrophobicContact CG1-CG 4.27Å; G149-W216 WeakPolarHBondContact O-CB 3.15Å; R150-W216 HydrophobicContact CG-CB 4Å; R150-W216 HydrophobicContact CG-CD2 4.42Å; R150-W216 HydrophobicContact CG-CE3 4.4Å; R150-W216 HydrophobicContact CG-CG 4.28Å; R150-W216 VanDerWaalsContact NH1-CH2 3.31Å; V176-W216 HydrophobicContact CB-CD2 4.32Å; V176-W216 HydrophobicContact CB-CZ2 4.05Å; V176-W216 HydrophobicContact CG1-CH2 3.91Å; V176-W216 HydrophobicContact CG1-CZ2 3.45Å; V176-W216 VanDerWaalsContact CG1-CZ2 3.45Å; V176-W216 PolarHBondContact N-O 2.9Å; V176-W216 PolarHBondContact O-N 3.34Å; V183-W216 HydrophobicContact CG1-CZ2 4.45Å; V183-W216 HydrophobicContact CG2-CH2 4.39Å; Q214-W216 HydrophobicContact CB-CE3 4.09Å; Q214-W216 HydrophobicContact CB-CZ3 3.89Å; W216-E218 VanDerWaalsContact NE1-CG 3.28Å; W216-E218 PolarHBondContact NE1-OE1 3.46Å |
| 217 | V | 97.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 131.5 | 172.6 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | V131 F133 F163 L173 S174 | V131-V217 HydrophobicContact CB-CB 4.14Å; V131-V217 HydrophobicContact CB-CG1 4.07Å; V131-V217 HydrophobicContact CG2-CG1 4.01Å; V131-V217 PolarHBondContact N-O 2.96Å; F133-V217 HydrophobicContact CE2-CB 4.29Å; F133-V217 HydrophobicContact CE2-CG2 4.2Å; F163-V217 HydrophobicContact CB-CG2 4.4Å; F163-V217 HydrophobicContact CD1-CG1 4.45Å; F163-V217 HydrophobicContact CD1-CG2 3.93Å; F163-V217 HydrophobicContact CG-CG2 4.41Å; L173-V217 HydrophobicContact CB-CG1 4.06Å; L173-V217 HydrophobicContact CD1-CG1 4.27Å; L173-V217 HydrophobicContact CD2-CG1 4.19Å; L173-V217 HydrophobicContact CG-CG1 4.41Å; S174-V217 WeakPolarHBondContact O-CA 3.49Å |
| 218 | E | 96.4 | Very high | 96.4 | Very high | 18 Ų | 18 | 60.2 Ų | 60.2 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 146.3 | 167.5 | -81 | -173.5 | -154.9 | 0 | 0 | 111.1 | N129 V130 L173 S174 V176 R185 W216 | N129-E218 HydrophobicContact CB-CG 4.43Å; N129-E218 CarbonylContact O-C 3.58Å; N129-E218 WeakPolarHBondContact O-CA 3.36Å; V130-E218 HydrophobicContact CG2-CG 4.26Å; L173-E218 CarbonylContact C-O 3.54Å; L173-E218 VanDerWaalsContact CA-O 3.27Å; L173-E218 WeakPolarHBondContact CA-O 3.29Å; S174-E218 PolarHBondContact N-O 3.48Å; S174-E218 PolarHBondContact O-N 3.3Å; V176-E218 HydrophobicContact CG2-CB 3.98Å; V176-E218 HydrophobicContact CG2-CG 4.15Å; R185-E218 IonicContact CZ-OE2 3.1Å; R185-E218 VanDerWaalsContact NH1-CD 3.31Å; R185-E218 IonicContact NH1-OE1 3.88Å; R185-E218 IonicContact NH1-OE2 2.61Å; R185-E218 PolarHBondContact NH1-OE2 3.23Å; R185-E218 IonicContact NH2-OE1 3.47Å; R185-E218 PolarHBondContact NH2-OE1 3.09Å; R185-E218 IonicContact NH2-OE2 2.73Å; R185-E218 PolarHBondContact NH2-OE2 3.43Å; W216-E218 VanDerWaalsContact NE1-CG 3.28Å; W216-E218 PolarHBondContact NE1-OE1 3.46Å |
| 219 | K | 94 | Very high | 96.3 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 38% | 0.378 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 142.3 | 165.2 | 63.5 | 176 | -171 | 65.3 | 0 | 109.8 | G128 N129 V131 C172 L173 | G128-K219 WeakPolarHBondContact O-CE 3.47Å; N129-K219 WeakPolarHBondContact O-CG 3.49Å; N129-K219 PolarHBondContact O-N 3.06Å; V131-K219 HydrophobicContact CG2-CB 4.11Å; V131-K219 HydrophobicContact CG2-CG 4.42Å; C172-K219 WeakPolarHBondContact O-CA 3.37Å; L173-K219 HydrophobicContact CD2-CB 3.7Å |
| 220 | D | 85.9 | Confident | 96.2 | Very high | 161 Ų | 161 | 59.2 Ų | 59.2 | 86% | 0.861 | 31% | 0.31 | S | S | * | . | trans | -70.9 | 0 | 165.9 | -75.2 | -31.4 | 0 | 0 | 0 | 111.7 | C172 | C172-D220 HydrophobicContact CB-CB 3.98Å; C172-D220 PolarHBondContact O-N 2.82Å |
Retrieved 220 of 220 residues in 33.1 ms
(Link to these results)