| 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 | C | 35.5 | Very low | 30 | Very low | 187 Ų | 187 | 152.5 Ų | 152.5 | 100% | 1.264 | 82% | 0.823 | S | S | * | * | 0 | 123.7 | 0 | -66.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 2 | R | 26.5 | Very low | 29.9 | Very low | 231 Ų | 231 | 144.4 Ų | 144.4 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -61 | 142.9 | -175 | -80.3 | 172.8 | 166.4 | 162.5 | -6.8 | 112.7 | ||||
| 3 | L | 27.7 | Very low | 29.8 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 95% | 0.948 | 78% | 0.778 | S | S | * | * | trans | -111.7 | 111.2 | 153.7 | -112.2 | 143.4 | 0 | 0 | 0 | 106.7 | ||||
| 4 | N | 27.4 | Very low | 30.1 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | trans | -79.8 | 133.5 | -177.7 | -83.2 | -13.8 | 0 | 0 | 0 | 110.9 | ||||
| 5 | Q | 33 | Very low | 30.3 | Very low | 192 Ų | 192 | 129.3 Ų | 129.3 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | trans | -63.8 | 139.3 | 149.1 | -72.1 | 167.4 | -51.4 | 0 | 0 | 110.2 | ||||
| 6 | L | 27.4 | Very low | 30.4 | Very low | 156 Ų | 156 | 133.5 Ų | 133.5 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | trans | -170.5 | 135.4 | 160.1 | -96.1 | 158.5 | 0 | 0 | 0 | 106.1 | ||||
| 7 | S | 28.3 | Very low | 30.3 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 57% | 0.566 | 73% | 0.734 | S | S | * | * | cis | -167.9 | 120.8 | -28.8 | 52.3 | 0 | 0 | 0 | 0 | 104.1 | Q9 | S7-Q9 PolarHBondContact O-N 3.38Š| ||
| 8 | S | 31 | Very low | 30.4 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 92% | 0.916 | 73% | 0.728 | S | S | * | * | trans | -80.3 | 66.8 | 173.5 | 68.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 9 | Q | 31.9 | Very low | 30.4 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 81% | 0.808 | 71% | 0.71 | S | S | * | * | trans | -132.1 | 87.2 | 175 | -87.1 | 179.3 | -27.5 | 0 | 0 | 108.1 | S7 | S7-Q9 PolarHBondContact O-N 3.38Š| ||
| 10 | G | 29.6 | Very low | 30.6 | Very low | 48 Ų | 48 | 129.6 Ų | 129.6 | 50% | 0.495 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -155 | -38.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 11 | E | 31.4 | Very low | 30.6 | Very low | 178 Ų | 178 | 128.5 Ų | 128.5 | 83% | 0.832 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -94.5 | -27.6 | -171.6 | -69 | -178.9 | 131 | 0 | 0 | 114.3 | S13 | E11-S13 VanDerWaalsContact C-N 3.31Å; E11-S13 PolarHBondContact O-N 2.78Å |
| 12 | G | 28.9 | Very low | 30.5 | Very low | 56 Ų | 56 | 127 Ų | 127 | 58% | 0.577 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.4 | -27.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R16 | G12-R16 PolarHBondContact O-N 3.38Å |
| 13 | S | 28.3 | Very low | 30.9 | Very low | 69 Ų | 69 | 124.3 Ų | 124.3 | 48% | 0.483 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -79.4 | -38.1 | -176.8 | -50.8 | 0 | 0 | 0 | 0 | 112 | E11 R16 Q17 | E11-S13 VanDerWaalsContact C-N 3.31Å; E11-S13 PolarHBondContact O-N 2.78Å; S13-R16 PolarHBondContact O-N 2.9Å; S13-Q17 PolarHBondContact O-N 3.26Å; S13-Q17 PolarHBondContact O-OE1 2.98Å |
| 14 | V | 33.9 | Very low | 31 | Very low | 73 Ų | 73 | 117.6 Ų | 117.6 | 44% | 0.442 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -69.3 | -38.2 | 179.6 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | Q17 R18 | V14-Q17 PolarHBondContact O-N 3.46Å; V14-R18 WeakPolarHBondContact O-CG 3.21Å; V14-R18 PolarHBondContact O-N 2.8Å |
| 15 | A | 33.4 | Very low | 31.3 | Very low | 64 Ų | 64 | 116.7 Ų | 116.7 | 53% | 0.529 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.1 | -37.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S19 | A15-S19 PolarHBondContact O-N 2.83Å; A15-S19 VanDerWaalsContact O-N 3.09Å |
| 16 | R | 31.7 | Very low | 31.3 | Very low | 197 Ų | 197 | 110.2 Ų | 110.2 | 74% | 0.743 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.7 | -41.1 | 174.4 | -121.4 | 177 | -170 | 172 | 3.3 | 112 | G12 S13 S19 V20 | G12-R16 PolarHBondContact O-N 3.38Å; S13-R16 PolarHBondContact O-N 2.9Å; R16-S19 PolarHBondContact O-N 3.3Å; R16-V20 WeakPolarHBondContact O-CG2 3.09Å; R16-V20 PolarHBondContact O-N 3.01Å; R16-V20 VanDerWaalsContact O-N 3.09Å |
| 17 | Q | 28.8 | Very low | 31.6 | Very low | 140 Ų | 140 | 105.9 Ų | 105.9 | 65% | 0.654 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.6 | -40.1 | 176.8 | -113.3 | 143.5 | -40.1 | 0 | 0 | 112.2 | S13 V14 V20 E21 | S13-Q17 PolarHBondContact O-N 3.26Å; S13-Q17 PolarHBondContact O-OE1 2.98Å; V14-Q17 PolarHBondContact O-N 3.46Å; Q17-V20 PolarHBondContact O-N 2.94Å; Q17-E21 PolarHBondContact O-N 3.43Å |
| 18 | R | 32.2 | Very low | 31.7 | Very low | 164 Ų | 164 | 110.7 Ų | 110.7 | 62% | 0.619 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.6 | -42.7 | 173.3 | -71.8 | 179.3 | -174 | 178.1 | 2.9 | 111.9 | V14 V20 E21 W22 | V14-R18 WeakPolarHBondContact O-CG 3.21Å; V14-R18 PolarHBondContact O-N 2.8Å; R18-V20 VanDerWaalsContact C-N 3.31Å; R18-V20 PolarHBondContact O-N 3.25Å; R18-E21 PolarHBondContact O-N 3.46Å; R18-W22 PolarHBondContact O-N 2.84Å |
| 19 | S | 31.4 | Very low | 32 | Very low | 56 Ų | 56 | 112.9 Ų | 112.9 | 39% | 0.392 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.7 | -36.4 | 176.1 | 179.5 | 0 | 0 | 0 | 0 | 113.5 | A15 R16 R23 | A15-S19 PolarHBondContact O-N 2.83Å; A15-S19 VanDerWaalsContact O-N 3.09Å; R16-S19 PolarHBondContact O-N 3.3Å; S19-R23 PolarHBondContact O-N 2.86Å; S19-R23 PolarHBondContact OG-NH2 3.05Å |
| 20 | V | 33 | Very low | 32.1 | Very low | 95 Ų | 95 | 110 Ų | 110 | 58% | 0.576 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -74.3 | -38.5 | 177.7 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | R16 Q17 R18 W22 R23 G24 | R16-V20 WeakPolarHBondContact O-CG2 3.09Å; R16-V20 PolarHBondContact O-N 3.01Å; R16-V20 VanDerWaalsContact O-N 3.09Å; Q17-V20 PolarHBondContact O-N 2.94Å; R18-V20 VanDerWaalsContact C-N 3.31Å; R18-V20 PolarHBondContact O-N 3.25Å; V20-W22 VanDerWaalsContact C-N 3.34Å; V20-W22 PolarHBondContact O-N 2.68Å; V20-R23 PolarHBondContact O-N 2.82Å; V20-G24 PolarHBondContact O-N 3.42Å |
| 21 | E | 30.5 | Very low | 32.2 | Very low | 107 Ų | 107 | 111.3 Ų | 111.3 | 50% | 0.5 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.1 | -39.1 | 175.1 | -166 | -176.7 | 161.6 | 0 | 0 | 112.1 | Q17 R18 G24 K25 | Q17-E21 PolarHBondContact O-N 3.43Å; R18-E21 PolarHBondContact O-N 3.46Å; E21-G24 PolarHBondContact O-N 3.07Å; E21-K25 PolarHBondContact O-N 2.92Å; E21-K25 VanDerWaalsContact OE1-CE 3.28Å; E21-K25 WeakPolarHBondContact OE1-CE 3.31Å; E21-K25 IonicContact OE1-NZ 2.7Å; E21-K25 PolarHBondContact OE1-NZ 3.33Å |
| 22 | W | 33.8 | Very low | 32.2 | Very low | 157 Ų | 157 | 108.3 Ų | 108.3 | 60% | 0.595 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.5 | -37.7 | 174.5 | -77.4 | 111.1 | 0 | 0 | 0 | 113 | R18 V20 G24 K25 A26 | R18-W22 PolarHBondContact O-N 2.84Å; V20-W22 VanDerWaalsContact C-N 3.34Å; V20-W22 PolarHBondContact O-N 2.68Å; W22-G24 VanDerWaalsContact C-N 3.3Å; W22-G24 PolarHBondContact O-N 2.94Å; W22-K25 PolarHBondContact O-N 3.36Å; W22-A26 VanDerWaalsContact O-CB 3.3Å; W22-A26 WeakPolarHBondContact O-CB 3.16Å; W22-A26 PolarHBondContact O-N 3.26Å |
| 23 | R | 35.7 | Very low | 32.4 | Very low | 173 Ų | 173 | 112.3 Ų | 112.3 | 65% | 0.653 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.3 | -38.2 | 173.6 | -124.6 | -177 | -66.8 | -114 | -1.9 | 111.5 | S19 V20 S27 | S19-R23 PolarHBondContact O-N 2.86Å; S19-R23 PolarHBondContact OG-NH2 3.05Å; V20-R23 PolarHBondContact O-N 2.82Å; R23-S27 WeakPolarHBondContact O-CB 3.28Å; R23-S27 PolarHBondContact O-N 3.37Å; R23-S27 VanDerWaalsContact O-N 3.15Å; R23-S27 PolarHBondContact O-OG 2.82Å |
| 24 | G | 29.8 | Very low | 32.7 | Very low | 40 Ų | 40 | 113.9 Ų | 113.9 | 41% | 0.412 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.8 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | V20 E21 W22 S27 R28 | V20-G24 PolarHBondContact O-N 3.42Å; E21-G24 PolarHBondContact O-N 3.07Å; W22-G24 VanDerWaalsContact C-N 3.3Å; W22-G24 PolarHBondContact O-N 2.94Å; G24-S27 WeakPolarHBondContact CA-OG 3.24Å; G24-S27 PolarHBondContact O-OG 2.79Å; G24-S27 VanDerWaalsContact O-OG 3.1Å; G24-R28 PolarHBondContact O-N 2.8Å |
| 25 | K | 34.3 | Very low | 32.5 | Very low | 101 Ų | 101 | 114.4 Ų | 114.4 | 44% | 0.439 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.2 | -43.9 | 176.2 | -72.3 | 179 | -173.4 | 168 | 0 | 111.5 | E21 W22 S27 R28 W29 | E21-K25 PolarHBondContact O-N 2.92Å; E21-K25 VanDerWaalsContact OE1-CE 3.28Å; E21-K25 WeakPolarHBondContact OE1-CE 3.31Å; E21-K25 IonicContact OE1-NZ 2.7Å; E21-K25 PolarHBondContact OE1-NZ 3.33Å; W22-K25 PolarHBondContact O-N 3.36Å; K25-S27 VanDerWaalsContact C-N 3.31Å; K25-S27 PolarHBondContact O-N 2.95Å; K25-R28 WeakPolarHBondContact O-CB 3.08Å; K25-R28 PolarHBondContact O-N 3.46Å; K25-W29 PolarHBondContact O-N 3.3Å; K25-W29 VanDerWaalsContact O-N 3.15Å |
| 26 | A | 32.7 | Very low | 32.4 | Very low | 56 Ų | 56 | 116.9 Ų | 116.9 | 46% | 0.463 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.9 | -34.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | W22 N30 | W22-A26 VanDerWaalsContact O-CB 3.3Å; W22-A26 WeakPolarHBondContact O-CB 3.16Å; W22-A26 PolarHBondContact O-N 3.26Å; A26-N30 PolarHBondContact O-N 3.35Å |
| 27 | S | 33.5 | Very low | 32.4 | Very low | 65 Ų | 65 | 117.7 Ų | 117.7 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.6 | -35 | 175 | 40.6 | 0 | 0 | 0 | 0 | 112.9 | R23 G24 K25 W29 N30 S31 | R23-S27 WeakPolarHBondContact O-CB 3.28Å; R23-S27 PolarHBondContact O-N 3.37Å; R23-S27 VanDerWaalsContact O-N 3.15Å; R23-S27 PolarHBondContact O-OG 2.82Å; G24-S27 WeakPolarHBondContact CA-OG 3.24Å; G24-S27 PolarHBondContact O-OG 2.79Å; G24-S27 VanDerWaalsContact O-OG 3.1Å; K25-S27 VanDerWaalsContact C-N 3.31Å; K25-S27 PolarHBondContact O-N 2.95Å; S27-W29 PolarHBondContact O-N 2.81Å; S27-N30 PolarHBondContact O-N 2.92Å; S27-S31 PolarHBondContact O-N 3.31Å; S27-S31 PolarHBondContact O-OG 2.85Å |
| 28 | R | 29.7 | Very low | 32.5 | Very low | 181 Ų | 181 | 119.6 Ų | 119.6 | 68% | 0.683 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.5 | -41.6 | 171.4 | -171 | -179.7 | -74.7 | -169.2 | -3.9 | 112.1 | G24 K25 S31 E32 | G24-R28 PolarHBondContact O-N 2.8Å; K25-R28 WeakPolarHBondContact O-CB 3.08Å; K25-R28 PolarHBondContact O-N 3.46Å; R28-S31 WeakPolarHBondContact CA-OG 3.08Å; R28-S31 PolarHBondContact O-N 3.33Å; R28-S31 PolarHBondContact O-OG 2.82Å; R28-E32 PolarHBondContact O-N 2.89Å |
| 29 | W | 37.3 | Very low | 32.4 | Very low | 178 Ų | 178 | 120.4 Ų | 120.4 | 67% | 0.674 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.3 | -35.4 | 174.9 | -74.8 | 105.3 | 0 | 0 | 0 | 113.5 | K25 S27 E32 M33 | K25-W29 PolarHBondContact O-N 3.3Å; K25-W29 VanDerWaalsContact O-N 3.15Å; S27-W29 PolarHBondContact O-N 2.81Å; W29-E32 PolarHBondContact O-N 2.9Å; W29-M33 WeakPolarHBondContact O-CG 3.47Å; W29-M33 PolarHBondContact O-N 3.12Å; W29-M33 VanDerWaalsContact O-N 3.16Å |
| 30 | N | 34.5 | Very low | 32.3 | Very low | 112 Ų | 112 | 128 Ų | 128 | 60% | 0.599 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.2 | -35.8 | 176.1 | -84.8 | -13.7 | 0 | 0 | 0 | 113 | A26 S27 M33 T34 | A26-N30 PolarHBondContact O-N 3.35Å; S27-N30 PolarHBondContact O-N 2.92Å; N30-M33 PolarHBondContact O-N 3.35Å; N30-T34 PolarHBondContact O-N 2Å; N30-T34 PolarHBondContact O-OG1 3.25Å |
| 31 | S | 30.7 | Very low | 32 | Very low | 75 Ų | 75 | 129.2 Ų | 129.2 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.8 | -36.7 | 176.5 | 34 | 0 | 0 | 0 | 0 | 113.2 | S27 R28 T34 | S27-S31 PolarHBondContact O-N 3.31Å; S27-S31 PolarHBondContact O-OG 2.85Å; R28-S31 WeakPolarHBondContact CA-OG 3.08Å; R28-S31 PolarHBondContact O-N 3.33Å; R28-S31 PolarHBondContact O-OG 2.82Å; S31-T34 PolarHBondContact O-N 2.98Å |
| 32 | E | 33.4 | Very low | 31.8 | Very low | 116 Ų | 116 | 127 Ų | 127 | 54% | 0.542 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -71.3 | -32 | 174.8 | -75 | 176.7 | 172.4 | 0 | 0 | 112.2 | R28 W29 T34 A35 | R28-E32 PolarHBondContact O-N 2.89Å; W29-E32 PolarHBondContact O-N 2.9Å; E32-T34 VanDerWaalsContact C-N 3.35Å; E32-T34 PolarHBondContact O-N 2.81Å; E32-A35 PolarHBondContact O-N 3.03Å |
| 33 | M | 32.1 | Very low | 31.6 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 69% | 0.69 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.2 | -24.7 | 175.8 | -78.8 | -95.8 | -122.9 | 0 | 0 | 114.3 | W29 N30 A35 | W29-M33 WeakPolarHBondContact O-CG 3.47Å; W29-M33 PolarHBondContact O-N 3.12Å; W29-M33 VanDerWaalsContact O-N 3.16Å; N30-M33 PolarHBondContact O-N 3.35Å; M33-A35 VanDerWaalsContact C-N 3.3Å |
| 34 | T | 34.5 | Very low | 31.2 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 63% | 0.626 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -74.2 | -26 | 177.9 | -44.3 | 0 | 0 | 0 | 0 | 111.3 | N30 S31 E32 | N30-T34 PolarHBondContact O-N 2Å; N30-T34 PolarHBondContact O-OG1 3.25Å; S31-T34 PolarHBondContact O-N 2.98Å; E32-T34 VanDerWaalsContact C-N 3.35Å; E32-T34 PolarHBondContact O-N 2.81Å |
| 35 | A | 29.8 | Very low | 31 | Very low | 84 Ų | 84 | 137.7 Ų | 137.7 | 69% | 0.694 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -73.6 | -24.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E32 M33 R37 | E32-A35 PolarHBondContact O-N 3.03Å; M33-A35 VanDerWaalsContact C-N 3.3Å; A35-R37 VanDerWaalsContact C-N 3.28Å; A35-R37 PolarHBondContact O-N 3.49Å |
| 36 | C | 30.6 | Very low | 30.5 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 2.8 | 179 | -73.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 37 | R | 31.9 | Very low | 30.3 | Very low | 214 Ų | 214 | 153.6 Ų | 153.6 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 0.6 | -172.6 | -121.9 | -175.7 | -154 | -166.4 | 6.5 | 116.5 | A35 | A35-R37 VanDerWaalsContact C-N 3.28Å; A35-R37 PolarHBondContact O-N 3.49Å |
| 38 | H | 32 | Very low | 29.9 | Very low | 180 Ų | 180 | 159 Ų | 159 | 83% | 0.833 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -124.2 | 58.6 | 178.7 | -78.2 | -65.2 | 0 | 0 | 0 | 113.2 | ||
| 39 | Q | 29.7 | Very low | 29.7 | Very low | 182 Ų | 182 | 155.6 Ų | 155.6 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -160.8 | 90.5 | 155.1 | -124.3 | 162 | -5.5 | 0 | 0 | 111.7 | ||||
| 40 | K | 28.3 | Very low | 29.1 | Very low | 214 Ų | 214 | 153.7 Ų | 153.7 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | -166.7 | 124.9 | 129.9 | -105.1 | 165.1 | -173.5 | -179.8 | 0 | 112 | |||||
| 41 | S | 27.7 | Very low | 28.9 | Very low | 121 Ų | 121 | 154.1 Ų | 154.1 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -67 | 137.7 | -179.6 | 169.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 42 | G | 26.8 | Very low | 28.7 | Very low | 61 Ų | 61 | 158.2 Ų | 158.2 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | trans | 33.4 | 112.6 | 141 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 43 | R | 28.2 | Very low | 28.5 | Very low | 232 Ų | 232 | 160.3 Ų | 160.3 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | trans | -163.9 | 120.7 | 133.8 | -104 | 166.6 | -154.2 | -178.2 | 5.4 | 110.2 | ||||
| 44 | T | 27.6 | Very low | 28.3 | Very low | 144 Ų | 144 | 164 Ų | 164 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -65.7 | 127.3 | 173.6 | 16.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 45 | Y | 26.5 | Very low | 28 | Very low | 218 Ų | 218 | 165 Ų | 165 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | -127.9 | 128.3 | 159.8 | -90.4 | -85 | 0 | 0 | 0 | 109.8 | ||||
| 46 | R | 24.1 | Very low | 27.9 | Very low | 243 Ų | 243 | 166.5 Ų | 166.5 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -53.3 | 135.6 | 178.9 | -91 | 177.4 | 171.7 | 169 | -3 | 111.1 | ||||
| 47 | R | 27.7 | Very low | 28 | Very low | 248 Ų | 248 | 168.4 Ų | 168.4 | 94% | 0.936 | 83% | 0.826 | S | S | * | * | trans | -66.5 | 132.7 | 162.7 | -71.8 | -178.1 | -178.5 | -178.4 | 0.1 | 109.6 | ||||
| 48 | Q | 25.9 | Very low | 28.2 | Very low | 180 Ų | 180 | 165.3 Ų | 165.3 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | trans | -129.6 | 128.1 | 163.4 | -143 | 164.3 | -7.6 | 0 | 0 | 107.2 | ||||
| 49 | P | 25.4 | Very low | 28.3 | Very low | 108 Ų | 108 | 163.8 Ų | 163.8 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | trans | -82.1 | 132 | -175 | 30 | -30.6 | 0 | 0 | 0 | 111.2 | T51 | P49-T51 PolarHBondContact O-N 3.12Å; P49-T51 VanDerWaalsContact O-N 3.15Å | ||
| 50 | C | 24.8 | Very low | 28.6 | Very low | 139 Ų | 139 | 160.5 Ų | 160.5 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | -78.6 | 92.1 | 165.9 | -67.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 51 | T | 28.8 | Very low | 28.9 | Very low | 120 Ų | 120 | 154.7 Ų | 154.7 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | trans | -84.4 | 104.3 | 156.3 | 35 | 0 | 0 | 0 | 0 | 109.1 | P49 | P49-T51 PolarHBondContact O-N 3.12Å; P49-T51 VanDerWaalsContact O-N 3.15Å | ||
| 52 | E | 27 | Very low | 29.5 | Very low | 162 Ų | 162 | 157.4 Ų | 157.4 | 76% | 0.757 | 82% | 0.817 | S | S | * | * | trans | -132 | 77.4 | 151.9 | -88.1 | -161.3 | 137 | 0 | 0 | 108.4 | ||||
| 53 | L | 29.2 | Very low | 30.2 | Very low | 160 Ų | 160 | 158 Ų | 158 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -77.1 | 110 | 150.6 | -100.9 | 106.9 | 0 | 0 | 0 | 106.6 | ||||
| 54 | R | 27.7 | Very low | 30.8 | Very low | 218 Ų | 218 | 153.9 Ų | 153.9 | 82% | 0.823 | 82% | 0.823 | S | S | * | * | trans | -90 | 110.4 | 157.9 | -78.4 | -169 | -171.4 | -172.4 | 3.3 | 108.5 | ||||
| 55 | T | 28.4 | Very low | 31.3 | Very low | 121 Ų | 121 | 156.6 Ų | 156.6 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | -58.5 | 129.1 | 173.7 | 43.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 56 | C | 28.7 | Very low | 31.7 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | -76.7 | 118.4 | 158.4 | -70.4 | 0 | 0 | 0 | 0 | 108.2 | N58 | C56-N58 PolarHBondContact O-N 3.09Š| ||
| 57 | N | 31.8 | Very low | 32.7 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | -77.2 | 115.9 | 179.2 | -148.8 | 15.5 | 0 | 0 | 0 | 109 | ||||
| 58 | N | 36.3 | Very low | 33.1 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -89.9 | 122.6 | 170.4 | -92 | -13.8 | 0 | 0 | 0 | 108.6 | C56 | C56-N58 PolarHBondContact O-N 3.09Š| ||
| 59 | N | 34.3 | Very low | 33.6 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -142.2 | 108.5 | 151.8 | -98.1 | -13.3 | 0 | 0 | 0 | 110.7 | ||||
| 60 | S | 35 | Very low | 34.3 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | 57.9 | 124.1 | 144.3 | 59.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 61 | A | 35.1 | Very low | 35.1 | Very low | 92 Ų | 92 | 141.2 Ų | 141.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 100.5 | 103.4 | 136.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 62 | L | 40.1 | Very low | 35.5 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | trans | 58.9 | 109.5 | 146.7 | -68 | 165.1 | 0 | 0 | 0 | 119.7 | ||||
| 63 | G | 42.3 | Very low | 36.3 | Very low | 72 Ų | 72 | 143 Ų | 143 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 90.3 | 131.9 | 144.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 64 | V | 40.5 | Very low | 37.3 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | 93.3 | 112.7 | 175.7 | -166.5 | 0 | 0 | 0 | 0 | 114.3 | A66 | V64-A66 PolarHBondContact O-N 3.16Š| ||
| 65 | F | 38 | Very low | 38.7 | Very low | 202 Ų | 202 | 136.2 Ų | 136.2 | 89% | 0.886 | 78% | 0.776 | S | S | * | * | trans | -54.2 | 105.4 | 173.8 | -70.9 | -92.2 | 0 | 0 | 0 | 111.1 | L67 | F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.18Å | ||
| 66 | A | 35.5 | Very low | 40.4 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -80.3 | 77.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V64 N68 | V64-A66 PolarHBondContact O-N 3.16Å; A66-N68 PolarHBondContact O-N 2.85Å; A66-N68 VanDerWaalsContact O-N 3.09Å | ||
| 67 | L | 43.5 | Very low | 42.7 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -74.6 | 72.7 | 159.1 | -83.8 | 158.3 | 0 | 0 | 0 | 108.8 | F65 | F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.18Å | ||
| 68 | N | 36.2 | Very low | 45.3 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | trans | -153.6 | 53.5 | 179.4 | -93.7 | -34.2 | 0 | 0 | 0 | 114 | A66 | A66-N68 PolarHBondContact O-N 2.85Å; A66-N68 VanDerWaalsContact O-N 3.09Å | ||
| 69 | C | 36 | Very low | 47.7 | Very low | 114 Ų | 114 | 118.6 Ų | 118.6 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -129.5 | 27.8 | 170.4 | -115.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 70 | F | 41.9 | Very low | 50.3 | Low | 199 Ų | 199 | 111.5 Ų | 111.5 | 87% | 0.873 | 63% | 0.634 | S | S | * | * | trans | -140.8 | 64.7 | 170.6 | -81.4 | -79 | 0 | 0 | 0 | 112 | ||||
| 71 | T | 40.8 | Very low | 52.9 | Low | 105 Ų | 105 | 106.4 Ų | 106.4 | 64% | 0.644 | 60% | 0.598 | S | S | * | * | trans | -133.7 | 62.9 | 164.1 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | G73 | T71-G73 PolarHBondContact O-N 3.04Š| ||
| 72 | R | 38 | Very low | 55 | Low | 251 Ų | 251 | 102.3 Ų | 102.3 | 95% | 0.947 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -68.8 | 86.2 | 158.8 | -170.3 | 177.8 | -173.9 | -178.7 | 2.2 | 107.4 | Q74 | R72-Q74 PolarHBondContact O-N 3.35Š|
| 73 | G | 43 | Very low | 56.6 | Low | 69 Ų | 69 | 98.3 Ų | 98.3 | 71% | 0.711 | 54% | 0.539 | S | S | * | . | trans | 31.4 | 78.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T71 K75 | T71-G73 PolarHBondContact O-N 3.04Å; G73-K75 PolarHBondContact O-N 3.14Å; G73-K75 VanDerWaalsContact O-N 3.14Å | ||
| 74 | Q | 49.3 | Very low | 57.9 | Low | 73 Ų | 73 | 102.6 Ų | 102.6 | 34% | 0.341 | 54% | 0.539 | S | S | . | . | trans | -72.2 | 110.4 | -178 | -93.5 | 170.1 | -30.4 | 0 | 0 | 110.7 | R72 S93 A94 D95 | R72-Q74 PolarHBondContact O-N 3.35Å; Q74-S93 WeakPolarHBondContact CB-O 3.33Å; Q74-S93 PolarHBondContact OE1-O 2.7Å; Q74-A94 VanDerWaalsContact OE1-CA 3.27Å; Q74-D95 PolarHBondContact NE2-OD2 3.13Å | ||
| 75 | K | 57.4 | Low | 59.2 | Low | 162 Ų | 162 | 102.7 Ų | 102.7 | 70% | 0.704 | 54% | 0.535 | S | S | * | . | trans | -60.6 | 137.7 | 159.1 | -66.6 | 174.1 | 179.4 | 175.2 | 0 | 107.3 | G73 S77 | G73-K75 PolarHBondContact O-N 3.14Å; G73-K75 VanDerWaalsContact O-N 3.14Å; K75-S77 PolarHBondContact O-N 3.31Å | ||
| 76 | N | 65.5 | Low | 61.2 | Low | 123 Ų | 123 | 95.9 Ų | 95.9 | 66% | 0.658 | 51% | 0.51 | S | S | * | . | trans | -47.1 | 108.4 | 172.4 | -65.4 | -22.5 | 0 | 0 | 0 | 109.6 | ||||
| 77 | S | 75.9 | Confident | 63.7 | Low | 15 Ų | 15 | 91.4 Ų | 91.4 | 11% | 0.105 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 137.3 | 177.6 | 58.4 | 0 | 0 | 0 | 0 | 108.4 | K75 C92 | K75-S77 PolarHBondContact O-N 3.31Å; S77-C92 PolarHBondContact N-O 2.92Å; S77-C92 PolarHBondContact O-N 3.48Å |
| 78 | T | 85.8 | Confident | 65.8 | Low | 29 Ų | 29 | 87.8 Ų | 87.8 | 18% | 0.178 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116 | 174.1 | -59.6 | 0 | 0 | 0 | 0 | 107.7 | I80 H126 L127 T128 | T78-I80 HydrophobicContact CG2-CD1 4.49Å; T78-I80 HydrophobicContact CG2-CG1 4.2Å; T78-H126 PolarHBondContact N-O 2.81Å; T78-L127 HydrophobicContact CG2-CD1 3.75Å; T78-T128 PolarHBondContact O-N 2.93Å |
| 79 | L | 87.3 | Confident | 68.4 | Low | 5 Ų | 5 | 83.3 Ų | 83.3 | 3% | 0.026 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.1 | 173.7 | 172 | 63 | 0 | 0 | 0 | 108.9 | F81 C90 A104 T128 W130 | L79-F81 HydrophobicContact CD2-CD1 4.3Å; L79-F81 HydrophobicContact CG-CD1 4.27Å; L79-C90 HydrophobicContact CB-CB 4.17Å; L79-C90 PolarHBondContact N-O 2.81Å; L79-C90 WeakPolarHBondContact O-CB 3.4Å; L79-C90 PolarHBondContact O-N 2.76Å; L79-A104 HydrophobicContact CD2-CB 3.93Å; L79-T128 CarbonylContact C-O 3.5Å; L79-T128 WeakPolarHBondContact CA-O 3.33Å; L79-T128 HydrophobicContact CD1-CG2 3.86Å; L79-W130 HydrophobicContact CD1-CD2 3.67Å; L79-W130 HydrophobicContact CD1-CE3 4.23Å; L79-W130 HydrophobicContact CD1-CG 3.96Å; L79-W130 HydrophobicContact CD1-CH2 4.49Å; L79-W130 HydrophobicContact CD1-CZ2 3.95Å; L79-W130 HydrophobicContact CD2-CD2 4.44Å; L79-W130 HydrophobicContact CD2-CE3 4.29Å; L79-W130 HydrophobicContact CD2-CH2 3.68Å; L79-W130 HydrophobicContact CD2-CZ2 3.81Å; L79-W130 HydrophobicContact CD2-CZ3 3.92Å |
| 80 | I | 89.6 | Confident | 71 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.1 | 171.9 | -60 | 179.9 | 0 | 0 | 0 | 108.5 | T78 I87 R88 Y123 L127 T128 I129 W130 L140 | T78-I80 HydrophobicContact CG2-CD1 4.49Å; T78-I80 HydrophobicContact CG2-CG1 4.2Å; I80-I87 HydrophobicContact CG2-CG2 3.69Å; I80-R88 VanDerWaalsContact CA-O 3.28Å; I80-R88 WeakPolarHBondContact CA-O 3.41Å; I80-Y123 HydrophobicContact CD1-CE1 3.64Å; I80-Y123 WeakPolarHBondContact CD1-OH 3.47Å; I80-L127 HydrophobicContact CD1-CD1 3.94Å; I80-L127 HydrophobicContact CG1-CD1 4.17Å; I80-T128 PolarHBondContact N-O 2.88Å; I80-I129 HydrophobicContact CB-CG1 4.32Å; I80-I129 CarbonylContact O-C 3.49Å; I80-I129 VanDerWaalsContact O-CA 3.23Å; I80-I129 WeakPolarHBondContact O-CA 3.18Å; I80-W130 PolarHBondContact O-N 2.9Å; I80-L140 HydrophobicContact CG2-CD1 3.99Å |
| 81 | F | 88.3 | Confident | 73.3 | Confident | 4 Ų | 4 | 71 Ų | 71 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 151.8 | 171.5 | 66.5 | -100.9 | 0 | 0 | 0 | 113.3 | L79 R88 C90 Y101 A104 W130 | L79-F81 HydrophobicContact CD2-CD1 4.3Å; L79-F81 HydrophobicContact CG-CD1 4.27Å; F81-R88 HydrophobicContact CD1-CB 4.16Å; F81-R88 HydrophobicContact CD2-CB 4.03Å; F81-R88 HydrophobicContact CD2-CG 4.26Å; F81-R88 HydrophobicContact CE1-CB 3.82Å; F81-R88 HydrophobicContact CE1-CG 4.45Å; F81-R88 HydrophobicContact CE2-CB 3.67Å; F81-R88 HydrophobicContact CE2-CG 3.57Å; F81-R88 HydrophobicContact CG-CB 4.26Å; F81-R88 HydrophobicContact CZ-CB 3.55Å; F81-R88 HydrophobicContact CZ-CG 3.69Å; F81-R88 PolarHBondContact N-O 2.83Å; F81-R88 PolarHBondContact O-N 2.88Å; F81-C90 VanDerWaalsContact CE1-SG 3.54Å; F81-Y101 HydrophobicContact CB-CD1 4.38Å; F81-Y101 HydrophobicContact CB-CE1 3.95Å; F81-Y101 HydrophobicContact CD1-CD1 4.42Å; F81-Y101 AromaticContact CD2-CD1 3.45Å; F81-Y101 HydrophobicContact CD2-CD1 3.45Å; F81-Y101 VanDerWaalsContact CD2-CD1 3.45Å; F81-Y101 AromaticContact CD2-CE1 3.64Å; F81-Y101 HydrophobicContact CD2-CE1 3.64Å; F81-Y101 AromaticContact CE2-CD1 3.68Å; F81-Y101 HydrophobicContact CE2-CD1 3.68Å; F81-Y101 HydrophobicContact CE2-CE1 4.32Å; F81-Y101 AromaticContact CG-CD1 3.86Å; F81-Y101 HydrophobicContact CG-CD1 3.86Å; F81-Y101 AromaticContact CG-CE1 3.92Å; F81-Y101 HydrophobicContact CG-CE1 3.92Å; F81-Y101 HydrophobicContact CZ-CD1 4.27Å; F81-A104 HydrophobicContact CE1-CB 4.15Å; F81-W130 VanDerWaalsContact CA-O 3.28Å; F81-W130 WeakPolarHBondContact CA-O 3.21Å; F81-W130 HydrophobicContact CB-CB 3.75Å; F81-W130 HydrophobicContact CB-CE3 4.1Å; F81-W130 HydrophobicContact CB-CG 4.46Å; F81-W130 HydrophobicContact CD1-CE3 4.14Å; F81-W130 HydrophobicContact CD1-CZ3 4.44Å; F81-W130 HydrophobicContact CG-CE3 4.29Å |
| 82 | T | 80.7 | Confident | 75.5 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 4% | 0.037 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.7 | 177.3 | 62.8 | 0 | 0 | 0 | 0 | 110.2 | T86 I87 W130 A136 L140 | T82-T86 WeakPolarHBondContact CA-O 3.36Å; T82-I87 HydrophobicContact CG2-CG1 4.09Å; T82-W130 PolarHBondContact N-O 3.38Å; T82-A136 HydrophobicContact CG2-CB 3.92Å; T82-L140 HydrophobicContact CG2-CD1 4.46Å |
| 83 | K | 74 | Confident | 77.7 | Confident | 95 Ų | 95 | 57.9 Ų | 57.9 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 123.3 | 172.5 | -173.5 | 176.7 | 178.8 | -177.6 | 0 | 108.7 | N85 T86 | K83-N85 VanDerWaalsContact C-N 3.3Å; K83-N85 PolarHBondContact O-N 3.46Å; K83-T86 PolarHBondContact N-O 2.99Å; K83-T86 PolarHBondContact O-N 2.98Å; K83-T86 PolarHBondContact O-OG1 3.1Å |
| 84 | E | 68.5 | Low | 79.6 | Confident | 162 Ų | 162 | 56 Ų | 56 | 76% | 0.757 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 47.7 | 173.7 | -63.1 | 159.4 | -152.8 | 0 | 0 | 112.5 | T86 | E84-T86 PolarHBondContact O-N 2.94Å; E84-T86 VanDerWaalsContact O-N 3.17Å |
| 85 | N | 68.4 | Low | 81.2 | Confident | 148 Ų | 148 | 58.3 Ų | 58.3 | 79% | 0.791 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 1.7 | -177.4 | -54.6 | -27.1 | 0 | 0 | 0 | 116.5 | K83 | K83-N85 VanDerWaalsContact C-N 3.3Å; K83-N85 PolarHBondContact O-N 3.46Å |
| 86 | T | 80.2 | Confident | 82.6 | Confident | 59 Ų | 59 | 51.8 Ų | 51.8 | 36% | 0.362 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 137.4 | 171.5 | 69 | 0 | 0 | 0 | 0 | 110.6 | T82 K83 E84 | T82-T86 WeakPolarHBondContact CA-O 3.36Å; K83-T86 PolarHBondContact N-O 2.99Å; K83-T86 PolarHBondContact O-N 2.98Å; K83-T86 PolarHBondContact O-OG1 3.1Å; E84-T86 PolarHBondContact O-N 2.94Å; E84-T86 VanDerWaalsContact O-N 3.17Å |
| 87 | I | 86.9 | Confident | 83.7 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.8 | 173.6 | -51.2 | -171.3 | 0 | 0 | 0 | 107.9 | I80 T82 T112 V113 P115 V118 L140 | I80-I87 HydrophobicContact CG2-CG2 3.69Å; T82-I87 HydrophobicContact CG2-CG1 4.09Å; I87-T112 WeakPolarHBondContact O-CA 3.4Å; I87-V113 PolarHBondContact O-N 2.75Å; I87-P115 HydrophobicContact CD1-CB 4.23Å; I87-P115 HydrophobicContact CD1-CG 4.43Å; I87-P115 HydrophobicContact CG1-CG 4.5Å; I87-V118 HydrophobicContact CD1-CG2 3.95Å; I87-V118 HydrophobicContact CG2-CG2 4.35Å; I87-L140 HydrophobicContact CD1-CD2 4.12Å; I87-L140 HydrophobicContact CD1-CG 4.47Å; I87-L140 HydrophobicContact CG2-CD2 4.44Å |
| 88 | R | 89.1 | Confident | 84.4 | Confident | 83 Ų | 83 | 53.5 Ų | 53.5 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 127.2 | 174 | -67.3 | -71.2 | -177.5 | 154.9 | -1.2 | 108.8 | I80 F81 K111 T112 | I80-R88 VanDerWaalsContact CA-O 3.28Å; I80-R88 WeakPolarHBondContact CA-O 3.41Å; F81-R88 HydrophobicContact CD1-CB 4.16Å; F81-R88 HydrophobicContact CD2-CB 4.03Å; F81-R88 HydrophobicContact CD2-CG 4.26Å; F81-R88 HydrophobicContact CE1-CB 3.82Å; F81-R88 HydrophobicContact CE1-CG 4.45Å; F81-R88 HydrophobicContact CE2-CB 3.67Å; F81-R88 HydrophobicContact CE2-CG 3.57Å; F81-R88 HydrophobicContact CG-CB 4.26Å; F81-R88 HydrophobicContact CZ-CB 3.55Å; F81-R88 HydrophobicContact CZ-CG 3.69Å; F81-R88 PolarHBondContact N-O 2.83Å; F81-R88 PolarHBondContact O-N 2.88Å; R88-K111 WeakPolarHBondContact CA-O 3.31Å; R88-T112 PolarHBondContact NE-OG1 3.27Å; R88-T112 PolarHBondContact NH1-OG1 3.48Å; R88-T112 VanDerWaalsContact NH1-OG1 3.12Å; R88-T112 PolarHBondContact NH2-OG1 3.31Å |
| 89 | N | 90.3 | Very high | 84.6 | Confident | 44 Ų | 44 | 53.4 Ų | 53.4 | 24% | 0.235 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 115.4 | 171.5 | -177.2 | -23.1 | 0 | 0 | 0 | 108 | C110 K111 V113 | N89-C110 WeakPolarHBondContact O-CA 3.39Å; N89-K111 PolarHBondContact N-O 3.19Å; N89-K111 PolarHBondContact O-N 2.9Å; N89-V113 HydrophobicContact CB-CG2 3.83Å |
| 90 | C | 89.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 139.7 | -172.2 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | L79 F81 C108 S109 C110 | L79-C90 HydrophobicContact CB-CB 4.17Å; L79-C90 PolarHBondContact N-O 2.81Å; L79-C90 WeakPolarHBondContact O-CB 3.4Å; L79-C90 PolarHBondContact O-N 2.76Å; F81-C90 VanDerWaalsContact CE1-SG 3.54Å; C90-C108 HydrophobicContact CB-CB 3.93Å; C90-S109 WeakPolarHBondContact CA-O 3.49Å; C90-C110 HydrophobicContact CB-CB 4.09Å; C90-C110 WeakPolarHBondContact CB-SG 3.25Å; C90-C110 WeakPolarHBondContact SG-CB 3.35Å; C90-C110 CovalentContact SG-SG 2.03Å; C90-C110 PolarHBondContact SG-SG 3.02Å |
| 91 | S | 90.1 | Very high | 84.8 | Confident | 54 Ų | 54 | 57.6 Ų | 57.6 | 38% | 0.378 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.4 | 164.6 | -171.5 | 0 | 0 | 0 | 0 | 108.6 | C108 S109 | S91-C108 WeakPolarHBondContact O-CB 3.31Å; S91-S109 PolarHBondContact N-O 3.14Å; S91-S109 PolarHBondContact O-N 2.81Å |
| 92 | C | 87.9 | Confident | 84.9 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 140 | -179.2 | -55 | 0 | 0 | 0 | 0 | 109.6 | S77 A94 I96 C108 | S77-C92 PolarHBondContact N-O 2.92Å; S77-C92 PolarHBondContact O-N 3.48Å; C92-A94 VanDerWaalsContact C-N 3.34Å; C92-A94 WeakPolarHBondContact CB-O 3.46Å; C92-I96 HydrophobicContact CB-CG1 4.42Å; C92-C108 HydrophobicContact CB-CB 4.02Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 WeakPolarHBondContact SG-CB 2.97Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 2.9Å |
| 93 | S | 83.9 | Confident | 85.4 | Confident | 78 Ų | 78 | 64.6 Ų | 64.6 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -81.1 | -19.5 | 172.5 | 53.3 | 0 | 0 | 0 | 0 | 112.5 | Q74 | Q74-S93 WeakPolarHBondContact CB-O 3.33Å; Q74-S93 PolarHBondContact OE1-O 2.7Å |
| 94 | A | 83.1 | Confident | 86.2 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 26% | 0.256 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -137.5 | 159.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q74 C92 I96 | Q74-A94 VanDerWaalsContact OE1-CA 3.27Å; C92-A94 VanDerWaalsContact C-N 3.34Å; C92-A94 WeakPolarHBondContact CB-O 3.46Å; A94-I96 PolarHBondContact O-N 3.22Å |
| 95 | D | 82 | Confident | 87.2 | Confident | 121 Ų | 121 | 56.4 Ų | 56.4 | 65% | 0.647 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 125.7 | 173 | -67 | -36.9 | 0 | 0 | 0 | 109.9 | Q74 | Q74-D95 PolarHBondContact NE2-OD2 3.13Š|
| 96 | I | 87.8 | Confident | 88.2 | Confident | 24 Ų | 24 | 56 Ų | 56 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 144 | 177.7 | -52.2 | -56.5 | 0 | 0 | 0 | 108.5 | C92 A94 D98 L103 A104 M107 C108 W130 | C92-I96 HydrophobicContact CB-CG1 4.42Å; A94-I96 PolarHBondContact O-N 3.22Å; I96-D98 PolarHBondContact O-N 2.75Å; I96-L103 HydrophobicContact CG2-CB 4.12Å; I96-L103 HydrophobicContact CG2-CD2 3.84Å; I96-L103 HydrophobicContact CG2-CG 3.87Å; I96-A104 HydrophobicContact CG2-CB 4.27Å; I96-M107 HydrophobicContact CD1-CB 3.65Å; I96-M107 HydrophobicContact CD1-CG 4.24Å; I96-C108 VanDerWaalsContact CG1-SG 3.56Å; I96-W130 HydrophobicContact CB-CH2 4.04Å; I96-W130 HydrophobicContact CB-CZ2 4.15Å; I96-W130 HydrophobicContact CG2-CH2 3.73Å; I96-W130 HydrophobicContact CG2-CZ2 4.26Å |
| 97 | R | 88.4 | Confident | 88.7 | Confident | 165 Ų | 165 | 57.9 Ų | 57.9 | 62% | 0.623 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 129.8 | 171 | -178 | -179.2 | 172.7 | -178.2 | -2.5 | 109.5 | D100 W130 E177 | R97-D100 HydrophobicContact CB-CB 4.43Å; R97-D100 PolarHBondContact O-N 3.03Å; R97-W130 VanDerWaalsContact O-CH2 3.31Å; R97-W130 WeakPolarHBondContact O-CH2 3.36Å; R97-W130 VanDerWaalsContact O-CZ2 3.28Å; R97-W130 WeakPolarHBondContact O-CZ2 3.43Å; R97-E177 IonicContact CZ-OE1 3.86Å; R97-E177 IonicContact NE-OE1 2.71Å; R97-E177 PolarHBondContact NE-OE1 2.78Å; R97-E177 IonicContact NH2-OE1 2.73Å; R97-E177 PolarHBondContact NH2-OE1 3.06Å |
| 98 | D | 89.8 | Confident | 88.8 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.048 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 141.3 | -177.6 | -71.9 | -19.8 | 0 | 0 | 0 | 111.6 | I96 D100 W130 K150 S152 N175 | I96-D98 PolarHBondContact O-N 2.75Å; D98-D100 PolarHBondContact O-N 3.05Å; D98-D100 VanDerWaalsContact O-N 3.12Å; D98-W130 PolarHBondContact OD1-NE1 3.15Å; D98-W130 VanDerWaalsContact OD1-NE1 3.07Å; D98-K150 VanDerWaalsContact CG-NZ 3.34Å; D98-K150 VanDerWaalsContact OD1-CE 3.25Å; D98-K150 WeakPolarHBondContact OD1-CE 3.15Å; D98-K150 IonicContact OD1-NZ 3.87Å; D98-K150 PolarHBondContact OD1-NZ 2.78Å; D98-K150 VanDerWaalsContact OD1-NZ 3.13Å; D98-K150 WeakPolarHBondContact OD2-CE 3.34Å; D98-K150 IonicContact OD2-NZ 3.31Å; D98-K150 PolarHBondContact OD2-NZ 2.87Å; D98-S152 PolarHBondContact OD1-OG 3.19Å; D98-S152 PolarHBondContact OD2-OG 3.06Å; D98-N175 WeakPolarHBondContact OD2-CB 3.42Å; D98-N175 PolarHBondContact OD2-ND2 3.12Å |
| 99 | C | 90.6 | Very high | 88.9 | Confident | 28 Ų | 28 | 59 Ų | 59 | 19% | 0.189 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 6.2 | 178.2 | -49.8 | 0 | 0 | 0 | 0 | 116 | Y101 C154 E177 | C99-Y101 WeakPolarHBondContact O-CD2 3.45Å; C99-Y101 PolarHBondContact O-N 3.32Å; C99-C154 WeakPolarHBondContact CA-SG 3.32Å; C99-C154 HydrophobicContact CB-CB 3.65Å; C99-C154 WeakPolarHBondContact CB-SG 3.39Å; C99-C154 WeakPolarHBondContact SG-CA 3.42Å; C99-C154 WeakPolarHBondContact SG-CB 3.36Å; C99-C154 CovalentContact SG-SG 2.03Å; C99-C154 PolarHBondContact SG-SG 3.15Å; C99-E177 HydrophobicContact CB-CG 4.31Å |
| 100 | D | 91 | Very high | 88.9 | Confident | 54 Ų | 54 | 58.5 Ų | 58.5 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | trans | -87.7 | 81.9 | 171.2 | -165.5 | -23.4 | 0 | 0 | 0 | 111 | R97 D98 S102 L103 A104 | R97-D100 HydrophobicContact CB-CB 4.43Å; R97-D100 PolarHBondContact O-N 3.03Å; D98-D100 PolarHBondContact O-N 3.05Å; D98-D100 VanDerWaalsContact O-N 3.12Å; D100-S102 VanDerWaalsContact C-N 3.26Å; D100-S102 PolarHBondContact O-N 2.87Å; D100-S102 PolarHBondContact OD1-N 3.04Å; D100-L103 HydrophobicContact CB-CB 3.95Å; D100-L103 PolarHBondContact O-N 3.36Å; D100-L103 WeakPolarHBondContact OD1-CB 3.43Å; D100-L103 PolarHBondContact OD1-N 2.91Å; D100-L103 WeakPolarHBondContact OD2-CB 3.39Å; D100-A104 WeakPolarHBondContact O-CB 3.43Å; D100-A104 PolarHBondContact O-N 3.48Å | ||
| 101 | Y | 90.8 | Very high | 88.8 | Confident | 39 Ų | 39 | 66.2 Ų | 66.2 | 15% | 0.153 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62 | -33.6 | -179.8 | -56.7 | -69.6 | 0 | 0 | 0 | 113.1 | F81 C99 N105 W130 C154 | F81-Y101 HydrophobicContact CB-CD1 4.38Å; F81-Y101 HydrophobicContact CB-CE1 3.95Å; F81-Y101 HydrophobicContact CD1-CD1 4.42Å; F81-Y101 AromaticContact CD2-CD1 3.45Å; F81-Y101 HydrophobicContact CD2-CD1 3.45Å; F81-Y101 VanDerWaalsContact CD2-CD1 3.45Å; F81-Y101 AromaticContact CD2-CE1 3.64Å; F81-Y101 HydrophobicContact CD2-CE1 3.64Å; F81-Y101 AromaticContact CE2-CD1 3.68Å; F81-Y101 HydrophobicContact CE2-CD1 3.68Å; F81-Y101 HydrophobicContact CE2-CE1 4.32Å; F81-Y101 AromaticContact CG-CD1 3.86Å; F81-Y101 HydrophobicContact CG-CD1 3.86Å; F81-Y101 AromaticContact CG-CE1 3.92Å; F81-Y101 HydrophobicContact CG-CE1 3.92Å; F81-Y101 HydrophobicContact CZ-CD1 4.27Å; C99-Y101 WeakPolarHBondContact O-CD2 3.45Å; C99-Y101 PolarHBondContact O-N 3.32Å; Y101-N105 WeakPolarHBondContact O-CB 3.46Å; Y101-N105 VanDerWaalsContact O-CG 3.27Å; Y101-N105 PolarHBondContact O-N 3.3Å; Y101-N105 PolarHBondContact O-ND2 3.15Å; Y101-W130 AromaticContact CD1-CE3 3.99Å; Y101-W130 HydrophobicContact CD1-CE3 3.99Å; Y101-W130 HydrophobicContact CD1-CZ3 4.28Å; Y101-W130 AromaticContact CE1-CE3 3.98Å; Y101-W130 HydrophobicContact CE1-CE3 3.98Å; Y101-C154 WeakPolarHBondContact OH-CB 3.35Å |
| 102 | S | 90 | Very high | 88.6 | Confident | 96 Ų | 96 | 67.4 Ų | 67.4 | 67% | 0.671 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -68.5 | -46.1 | -179.5 | -63.8 | 0 | 0 | 0 | 0 | 110.3 | D100 N105 L106 | D100-S102 VanDerWaalsContact C-N 3.26Å; D100-S102 PolarHBondContact O-N 2.87Å; D100-S102 PolarHBondContact OD1-N 3.04Å; S102-N105 PolarHBondContact O-N 3.47Å; S102-L106 PolarHBondContact O-N 3.16Å; S102-L106 VanDerWaalsContact O-N 3.15Å |
| 103 | L | 90.8 | Very high | 88.2 | Confident | 61 Ų | 61 | 69.1 Ų | 69.1 | 32% | 0.319 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 176 | -174 | 62 | 0 | 0 | 0 | 111.6 | I96 D100 N105 L106 M107 | I96-L103 HydrophobicContact CG2-CB 4.12Å; I96-L103 HydrophobicContact CG2-CD2 3.84Å; I96-L103 HydrophobicContact CG2-CG 3.87Å; D100-L103 HydrophobicContact CB-CB 3.95Å; D100-L103 PolarHBondContact O-N 3.36Å; D100-L103 WeakPolarHBondContact OD1-CB 3.43Å; D100-L103 PolarHBondContact OD1-N 2.91Å; D100-L103 WeakPolarHBondContact OD2-CB 3.39Å; L103-N105 PolarHBondContact O-N 2.79Å; L103-L106 PolarHBondContact O-N 2.93Å; L103-M107 HydrophobicContact CD1-CG 3.64Å; L103-M107 HydrophobicContact CG-CG 4.15Å; L103-M107 WeakPolarHBondContact O-CB 3.47Å; L103-M107 WeakPolarHBondContact O-CG 3.24Å; L103-M107 PolarHBondContact O-N 3.22Å |
| 104 | A | 90.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L79 F81 I96 D100 L106 C108 W130 | L79-A104 HydrophobicContact CD2-CB 3.93Å; F81-A104 HydrophobicContact CE1-CB 4.15Å; I96-A104 HydrophobicContact CG2-CB 4.27Å; D100-A104 WeakPolarHBondContact O-CB 3.43Å; D100-A104 PolarHBondContact O-N 3.48Å; A104-L106 PolarHBondContact O-N 3.25Å; A104-C108 WeakPolarHBondContact O-CA 3.32Å; A104-C108 WeakPolarHBondContact O-CB 3.38Å; A104-C108 PolarHBondContact O-N 3.42Å; A104-W130 HydrophobicContact CB-CH2 3.85Å; A104-W130 HydrophobicContact CB-CZ3 3.72Å |
| 105 | N | 89.1 | Confident | 86.3 | Confident | 84 Ų | 84 | 73 Ų | 73 | 45% | 0.449 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.5 | -26.1 | 177.7 | -73.3 | -43 | 0 | 0 | 0 | 113.1 | Y101 S102 L103 | Y101-N105 WeakPolarHBondContact O-CB 3.46Å; Y101-N105 VanDerWaalsContact O-CG 3.27Å; Y101-N105 PolarHBondContact O-N 3.3Å; Y101-N105 PolarHBondContact O-ND2 3.15Å; S102-N105 PolarHBondContact O-N 3.47Å; L103-N105 PolarHBondContact O-N 2.79Å |
| 106 | L | 89.4 | Confident | 84.7 | Confident | 141 Ų | 141 | 75.6 Ų | 75.6 | 74% | 0.738 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -82.6 | -41.9 | 177.9 | -174.9 | 67.7 | 0 | 0 | 0 | 112.2 | S102 L103 A104 | S102-L106 PolarHBondContact O-N 3.16Å; S102-L106 VanDerWaalsContact O-N 3.15Å; L103-L106 PolarHBondContact O-N 2.93Å; A104-L106 PolarHBondContact O-N 3.25Å |
| 107 | M | 90.6 | Very high | 82.8 | Confident | 98 Ų | 98 | 77.9 Ų | 77.9 | 48% | 0.483 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -94.9 | -18.5 | -170.2 | -67.8 | -63.6 | -53.5 | 0 | 0 | 114 | I96 L103 | I96-M107 HydrophobicContact CD1-CB 3.65Å; I96-M107 HydrophobicContact CD1-CG 4.24Å; L103-M107 HydrophobicContact CD1-CG 3.64Å; L103-M107 HydrophobicContact CG-CG 4.15Å; L103-M107 WeakPolarHBondContact O-CB 3.47Å; L103-M107 WeakPolarHBondContact O-CG 3.24Å; L103-M107 PolarHBondContact O-N 3.22Å |
| 108 | C | 90.4 | Very high | 81.1 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 8% | 0.081 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 150.8 | -174.9 | -49.9 | 0 | 0 | 0 | 0 | 112.5 | C90 S91 C92 I96 A104 C110 | C90-C108 HydrophobicContact CB-CB 3.93Å; S91-C108 WeakPolarHBondContact O-CB 3.31Å; C92-C108 HydrophobicContact CB-CB 4.02Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 WeakPolarHBondContact SG-CB 2.97Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 2.9Å; I96-C108 VanDerWaalsContact CG1-SG 3.56Å; A104-C108 WeakPolarHBondContact O-CA 3.32Å; A104-C108 WeakPolarHBondContact O-CB 3.38Å; A104-C108 PolarHBondContact O-N 3.42Å; C108-C110 PolarHBondContact O-N 2.79Å |
| 109 | S | 90.8 | Very high | 79.4 | Confident | 99 Ų | 99 | 73.3 Ų | 73.3 | 69% | 0.692 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 99.3 | 171.2 | -69.2 | 0 | 0 | 0 | 0 | 109.9 | C90 S91 | C90-S109 WeakPolarHBondContact CA-O 3.49Å; S91-S109 PolarHBondContact N-O 3.14Å; S91-S109 PolarHBondContact O-N 2.81Å |
| 110 | C | 89.4 | Confident | 78.2 | Confident | 32 Ų | 32 | 78.4 Ų | 78.4 | 22% | 0.216 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 138.5 | -174.6 | -64.5 | 0 | 0 | 0 | 0 | 113.5 | N89 C90 C108 | N89-C110 WeakPolarHBondContact O-CA 3.39Å; C90-C110 HydrophobicContact CB-CB 4.09Å; C90-C110 WeakPolarHBondContact CB-SG 3.25Å; C90-C110 WeakPolarHBondContact SG-CB 3.35Å; C90-C110 CovalentContact SG-SG 2.03Å; C90-C110 PolarHBondContact SG-SG 3.02Å; C108-C110 PolarHBondContact O-N 2.79Å |
| 111 | K | 88.4 | Confident | 77.1 | Confident | 163 Ų | 163 | 81 Ų | 81 | 71% | 0.709 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 138.6 | 171.1 | -64.2 | -176.8 | -179.4 | -179 | 0 | 110.3 | R88 N89 | R88-K111 WeakPolarHBondContact CA-O 3.31Å; N89-K111 PolarHBondContact N-O 3.19Å; N89-K111 PolarHBondContact O-N 2.9Å |
| 112 | T | 85.9 | Confident | 76.6 | Confident | 79 Ų | 79 | 80.9 Ų | 80.9 | 49% | 0.485 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 132.2 | 170.2 | -49.1 | 0 | 0 | 0 | 0 | 109.1 | I87 R88 | I87-T112 WeakPolarHBondContact O-CA 3.4Å; R88-T112 PolarHBondContact NE-OG1 3.27Å; R88-T112 PolarHBondContact NH1-OG1 3.48Å; R88-T112 VanDerWaalsContact NH1-OG1 3.12Å; R88-T112 PolarHBondContact NH2-OG1 3.31Å |
| 113 | V | 80.1 | Confident | 76.2 | Confident | 37 Ų | 37 | 76.7 Ų | 76.7 | 22% | 0.224 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139 | 177.2 | -164.6 | 0 | 0 | 0 | 0 | 108.9 | I87 N89 A117 V118 | I87-V113 PolarHBondContact O-N 2.75Å; N89-V113 HydrophobicContact CB-CG2 3.83Å; V113-A117 HydrophobicContact CG1-CB 4.13Å; V113-V118 HydrophobicContact CB-CG2 3.99Å; V113-V118 HydrophobicContact CG1-CG2 3.7Å |
| 114 | L | 68.3 | Low | 75.4 | Confident | 134 Ų | 134 | 80.9 Ų | 80.9 | 70% | 0.702 | 46% | 0.461 | S | S | * | . | trans | -66.2 | 137.3 | 175.6 | -75 | 165.6 | 0 | 0 | 0 | 109.9 | L116 A117 V118 | L114-L116 PolarHBondContact O-N 2.99Å; L114-A117 HydrophobicContact CB-CB 4.22Å; L114-A117 PolarHBondContact O-N 3.42Å; L114-V118 VanDerWaalsContact O-CG2 3.29Å; L114-V118 WeakPolarHBondContact O-CG2 2.87Å | ||
| 115 | P | 58.3 | Low | 74.7 | Confident | 57 Ų | 57 | 82.7 Ų | 82.7 | 37% | 0.37 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -29.8 | -179 | -28.5 | 34.6 | 0 | 0 | 0 | 115.1 | I87 | I87-P115 HydrophobicContact CD1-CB 4.23Å; I87-P115 HydrophobicContact CD1-CG 4.43Å; I87-P115 HydrophobicContact CG1-CG 4.5Å |
| 116 | L | 48.3 | Very low | 74.6 | Confident | 176 Ų | 176 | 82.9 Ų | 82.9 | 92% | 0.921 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -20.8 | 177.7 | -74 | 149.8 | 0 | 0 | 0 | 113.6 | L114 | L114-L116 PolarHBondContact O-N 2.99Š|
| 117 | A | 47.8 | Very low | 74.7 | Confident | 72 Ų | 72 | 76.2 Ų | 76.2 | 60% | 0.595 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V113 L114 G119 | V113-A117 HydrophobicContact CG1-CB 4.13Å; L114-A117 HydrophobicContact CB-CB 4.22Å; L114-A117 PolarHBondContact O-N 3.42Å; A117-G119 VanDerWaalsContact C-N 3.3Å |
| 118 | V | 53.9 | Low | 74.8 | Confident | 10 Ų | 10 | 72.5 Ų | 72.5 | 6% | 0.061 | 43% | 0.425 | C | S | . | . | trans | -92.2 | 14.2 | 179.8 | -150.5 | 0 | 0 | 0 | 0 | 113.1 | I87 V113 L114 R120 Y123 L140 | I87-V118 HydrophobicContact CD1-CG2 3.95Å; I87-V118 HydrophobicContact CG2-CG2 4.35Å; V113-V118 HydrophobicContact CB-CG2 3.99Å; V113-V118 HydrophobicContact CG1-CG2 3.7Å; L114-V118 VanDerWaalsContact O-CG2 3.29Å; L114-V118 WeakPolarHBondContact O-CG2 2.87Å; V118-R120 PolarHBondContact O-N 3.18Å; V118-Y123 WeakPolarHBondContact CG1-OH 3.44Å; V118-L140 HydrophobicContact CB-CD2 3.56Å; V118-L140 HydrophobicContact CG1-CD2 3.14Å; V118-L140 HydrophobicContact CG2-CD2 4.2Å | ||
| 119 | G | 54 | Low | 74.9 | Confident | 68 Ų | 68 | 72 Ų | 72 | 70% | 0.701 | 42% | 0.422 | S | S | * | . | trans | -69.1 | 58.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A117 | A117-G119 VanDerWaalsContact C-N 3.3Š| ||
| 120 | R | 64.2 | Low | 75 | Confident | 135 Ų | 135 | 67.3 Ų | 67.3 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | trans | -78.6 | 127.7 | 174.2 | -149.4 | 178.2 | -172.6 | 167.9 | 2.5 | 107.3 | V118 S122 Y123 T144 | V118-R120 PolarHBondContact O-N 3.18Å; R120-S122 VanDerWaalsContact CD-O 3.25Å; R120-S122 WeakPolarHBondContact CD-O 3.46Å; R120-S122 VanDerWaalsContact CG-O 3.31Å; R120-S122 WeakPolarHBondContact CG-O 3.49Å; R120-S122 PolarHBondContact O-N 3Å; R120-Y123 HydrophobicContact CB-CE2 4.21Å; R120-T144 WeakPolarHBondContact O-CG2 3.36Å | ||
| 121 | T | 67.6 | Low | 75.1 | Confident | 108 Ų | 108 | 65.9 Ų | 65.9 | 66% | 0.663 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -73.6 | -16.8 | -179.3 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | L145 | T121-L145 PolarHBondContact O-N 3.22Å; T121-L145 VanDerWaalsContact O-N 3.12Å |
| 122 | S | 79.8 | Confident | 75.2 | Confident | 36 Ų | 36 | 60.2 Ų | 60.2 | 25% | 0.252 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 149.8 | -179.6 | 55.3 | 0 | 0 | 0 | 0 | 112.4 | R120 L145 | R120-S122 VanDerWaalsContact CD-O 3.25Å; R120-S122 WeakPolarHBondContact CD-O 3.46Å; R120-S122 VanDerWaalsContact CG-O 3.31Å; R120-S122 WeakPolarHBondContact CG-O 3.49Å; R120-S122 PolarHBondContact O-N 3Å; S122-L145 CarbonylContact C-O 3.59Å; S122-L145 VanDerWaalsContact CA-O 3.31Å; S122-L145 WeakPolarHBondContact CA-O 3.45Å |
| 123 | Y | 82.4 | Confident | 75.1 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 4% | 0.035 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.4 | 164.5 | -68 | -88.1 | 0 | 0 | 0 | 109.1 | I80 V118 R120 L127 T144 L145 V146 | I80-Y123 HydrophobicContact CD1-CE1 3.64Å; I80-Y123 WeakPolarHBondContact CD1-OH 3.47Å; V118-Y123 WeakPolarHBondContact CG1-OH 3.44Å; R120-Y123 HydrophobicContact CB-CE2 4.21Å; Y123-L127 HydrophobicContact CD1-CD1 4.02Å; Y123-L127 HydrophobicContact CD1-CD2 4.21Å; Y123-L127 HydrophobicContact CD2-CD2 3.57Å; Y123-L127 HydrophobicContact CE1-CD1 4.33Å; Y123-L127 HydrophobicContact CE2-CD2 4.02Å; Y123-L127 HydrophobicContact CG-CD1 4.28Å; Y123-L127 HydrophobicContact CG-CD2 3.67Å; Y123-L127 HydrophobicContact CG-CG 4.49Å; Y123-T144 HydrophobicContact CD2-CG2 3.61Å; Y123-T144 HydrophobicContact CE2-CG2 3.76Å; Y123-L145 PolarHBondContact N-O 2.93Å; Y123-V146 HydrophobicContact CD2-CG2 3.92Å |
| 124 | N | 73.9 | Confident | 75.5 | Confident | 149 Ų | 149 | 57.9 Ų | 57.9 | 80% | 0.797 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 128 | 176.4 | -69.1 | -12.2 | 0 | 0 | 0 | 109.4 | ||
| 125 | G | 77 | Confident | 76.3 | Confident | 37 Ų | 37 | 54.4 Ų | 54.4 | 38% | 0.381 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 91.4 | -151.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 126 | H | 86 | Confident | 77.4 | Confident | 88 Ų | 88 | 51.9 Ų | 51.9 | 41% | 0.407 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.1 | -178.7 | -55.1 | -73.6 | 0 | 0 | 0 | 109.7 | T78 D148 | T78-H126 PolarHBondContact N-O 2.81Å; H126-D148 IonicContact CE1-OD2 2.85Å; H126-D148 PolarHBondContact CE1-OD2 2.89Å; H126-D148 IonicContact CG-OD2 3.98Å; H126-D148 WeakPolarHBondContact ND1-CB 3.46Å; H126-D148 VanDerWaalsContact ND1-CG 3.25Å; H126-D148 IonicContact ND1-OD2 3.13Å; H126-D148 PolarHBondContact ND1-OD2 2.84Å |
| 127 | L | 90.8 | Very high | 79.3 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.4 | 176.7 | -179.8 | 61.8 | 0 | 0 | 0 | 109.6 | T78 I80 Y123 I129 L141 V146 D148 L149 K150 | T78-L127 HydrophobicContact CG2-CD1 3.75Å; I80-L127 HydrophobicContact CD1-CD1 3.94Å; I80-L127 HydrophobicContact CG1-CD1 4.17Å; Y123-L127 HydrophobicContact CD1-CD1 4.02Å; Y123-L127 HydrophobicContact CD1-CD2 4.21Å; Y123-L127 HydrophobicContact CD2-CD2 3.57Å; Y123-L127 HydrophobicContact CE1-CD1 4.33Å; Y123-L127 HydrophobicContact CE2-CD2 4.02Å; Y123-L127 HydrophobicContact CG-CD1 4.28Å; Y123-L127 HydrophobicContact CG-CD2 3.67Å; Y123-L127 HydrophobicContact CG-CG 4.49Å; L127-I129 HydrophobicContact CD1-CG1 4.28Å; L127-I129 HydrophobicContact CD2-CD1 3.96Å; L127-I129 HydrophobicContact CD2-CG1 4.21Å; L127-I129 HydrophobicContact CG-CD1 4.25Å; L127-I129 HydrophobicContact CG-CG1 3.93Å; L127-L141 HydrophobicContact CD2-CD2 3.98Å; L127-V146 HydrophobicContact CB-CG1 3.92Å; L127-V146 HydrophobicContact CD2-CG1 4.01Å; L127-V146 HydrophobicContact CD2-CG2 3.95Å; L127-D148 PolarHBondContact N-O 2.03Å; L127-L149 HydrophobicContact CB-CD1 4.25Å; L127-L149 HydrophobicContact CD2-CD1 4Å; L127-L149 HydrophobicContact CG-CD1 4.06Å; L127-L149 CarbonylContact O-C 3.56Å; L127-L149 WeakPolarHBondContact O-CA 3.37Å; L127-K150 PolarHBondContact O-N 2.96Å |
| 128 | T | 93.2 | Very high | 81.1 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.8 | 171 | -57.3 | 0 | 0 | 0 | 0 | 108.9 | T78 L79 I80 K150 | T78-T128 PolarHBondContact O-N 2.93Å; L79-T128 CarbonylContact C-O 3.5Å; L79-T128 WeakPolarHBondContact CA-O 3.33Å; L79-T128 HydrophobicContact CD1-CG2 3.86Å; I80-T128 PolarHBondContact N-O 2.88Å; T128-K150 CarbonylContact C-O 3.57Å; T128-K150 WeakPolarHBondContact CA-O 3.38Å; T128-K150 HydrophobicContact CG2-CB 4.23Å; T128-K150 HydrophobicContact CG2-CD 4.1Å; T128-K150 HydrophobicContact CG2-CG 4.11Å |
| 129 | I | 93.2 | Very high | 82.5 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 124.3 | 175.2 | -49.3 | -169 | 0 | 0 | 0 | 110.3 | I80 L127 L137 L141 L149 K150 L151 S152 | I80-I129 HydrophobicContact CB-CG1 4.32Å; I80-I129 CarbonylContact O-C 3.49Å; I80-I129 VanDerWaalsContact O-CA 3.23Å; I80-I129 WeakPolarHBondContact O-CA 3.18Å; L127-I129 HydrophobicContact CD1-CG1 4.28Å; L127-I129 HydrophobicContact CD2-CD1 3.96Å; L127-I129 HydrophobicContact CD2-CG1 4.21Å; L127-I129 HydrophobicContact CG-CD1 4.25Å; L127-I129 HydrophobicContact CG-CG1 3.93Å; I129-L137 HydrophobicContact CB-CD1 4.3Å; I129-L137 HydrophobicContact CD1-CD1 4.1Å; I129-L137 HydrophobicContact CG2-CD1 3.78Å; I129-L141 HydrophobicContact CD1-CD1 3.77Å; I129-L141 HydrophobicContact CD1-CD2 3.88Å; I129-L141 HydrophobicContact CD1-CG 3.79Å; I129-L149 HydrophobicContact CD1-CD1 4.38Å; I129-L149 HydrophobicContact CG1-CD1 4.26Å; I129-K150 PolarHBondContact N-O 2.03Å; I129-L151 HydrophobicContact CB-CD2 3.87Å; I129-L151 HydrophobicContact CG1-CD2 4.36Å; I129-L151 WeakPolarHBondContact O-CA 3.5Å; I129-S152 PolarHBondContact O-N 3.37Å |
| 130 | W | 93.6 | Very high | 83.9 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126.3 | 168.1 | -58 | -15.8 | 0 | 0 | 0 | 109 | L79 I80 F81 T82 I96 R97 D98 Y101 A104 S152 | L79-W130 HydrophobicContact CD1-CD2 3.67Å; L79-W130 HydrophobicContact CD1-CE3 4.23Å; L79-W130 HydrophobicContact CD1-CG 3.96Å; L79-W130 HydrophobicContact CD1-CH2 4.49Å; L79-W130 HydrophobicContact CD1-CZ2 3.95Å; L79-W130 HydrophobicContact CD2-CD2 4.44Å; L79-W130 HydrophobicContact CD2-CE3 4.29Å; L79-W130 HydrophobicContact CD2-CH2 3.68Å; L79-W130 HydrophobicContact CD2-CZ2 3.81Å; L79-W130 HydrophobicContact CD2-CZ3 3.92Å; I80-W130 PolarHBondContact O-N 2.9Å; F81-W130 VanDerWaalsContact CA-O 3.28Å; F81-W130 WeakPolarHBondContact CA-O 3.21Å; F81-W130 HydrophobicContact CB-CB 3.75Å; F81-W130 HydrophobicContact CB-CE3 4.1Å; F81-W130 HydrophobicContact CB-CG 4.46Å; F81-W130 HydrophobicContact CD1-CE3 4.14Å; F81-W130 HydrophobicContact CD1-CZ3 4.44Å; F81-W130 HydrophobicContact CG-CE3 4.29Å; T82-W130 PolarHBondContact N-O 3.38Å; I96-W130 HydrophobicContact CB-CH2 4.04Å; I96-W130 HydrophobicContact CB-CZ2 4.15Å; I96-W130 HydrophobicContact CG2-CH2 3.73Å; I96-W130 HydrophobicContact CG2-CZ2 4.26Å; R97-W130 VanDerWaalsContact O-CH2 3.31Å; R97-W130 WeakPolarHBondContact O-CH2 3.36Å; R97-W130 VanDerWaalsContact O-CZ2 3.28Å; R97-W130 WeakPolarHBondContact O-CZ2 3.43Å; D98-W130 PolarHBondContact OD1-NE1 3.15Å; D98-W130 VanDerWaalsContact OD1-NE1 3.07Å; Y101-W130 AromaticContact CD1-CE3 3.99Å; Y101-W130 HydrophobicContact CD1-CE3 3.99Å; Y101-W130 HydrophobicContact CD1-CZ3 4.28Å; Y101-W130 AromaticContact CE1-CE3 3.98Å; Y101-W130 HydrophobicContact CE1-CE3 3.98Å; A104-W130 HydrophobicContact CB-CH2 3.85Å; A104-W130 HydrophobicContact CB-CZ3 3.72Å; W130-S152 WeakPolarHBondContact CA-O 3.41Å |
| 131 | F | 91.2 | Very high | 85.1 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 155 | -173.3 | 72.4 | -75.7 | 0 | 0 | 0 | 111.4 | L137 L151 S152 L153 C154 L159 M219 F222 | F131-L137 HydrophobicContact CB-CD1 4.47Å; F131-L137 HydrophobicContact CD1-CD2 4.22Å; F131-L137 HydrophobicContact CD2-CB 4.45Å; F131-L137 HydrophobicContact CD2-CD2 4Å; F131-L137 HydrophobicContact CE1-CD2 4.24Å; F131-L137 HydrophobicContact CE2-CD2 3.99Å; F131-L137 HydrophobicContact CG-CD1 4.42Å; F131-L137 HydrophobicContact CG-CD2 4.11Å; F131-L137 HydrophobicContact CZ-CD2 4.12Å; F131-L151 HydrophobicContact CE1-CB 4.07Å; F131-S152 VanDerWaalsContact CD1-O 3.3Å; F131-S152 WeakPolarHBondContact CD1-O 3.13Å; F131-S152 PolarHBondContact N-O 2.81Å; F131-L153 HydrophobicContact CD2-CD1 4.27Å; F131-L153 HydrophobicContact CE1-CB 4.27Å; F131-L153 HydrophobicContact CE2-CD1 3.86Å; F131-L153 HydrophobicContact CZ-CB 4.1Å; F131-L153 HydrophobicContact CZ-CD1 4.12Å; F131-C154 PolarHBondContact O-N 3.37Å; F131-L159 HydrophobicContact CE2-CD1 3.7Å; F131-L159 HydrophobicContact CZ-CD1 4.05Å; F131-M219 HydrophobicContact CE2-CE 3.84Å; F131-M219 HydrophobicContact CZ-CE 3.9Å; F131-F222 HydrophobicContact CE1-CE1 4.12Å; F131-F222 HydrophobicContact CE1-CZ 4.09Å; F131-F222 HydrophobicContact CZ-CD1 4.25Å; F131-F222 HydrophobicContact CZ-CD2 4.18Å; F131-F222 HydrophobicContact CZ-CE1 4.05Å; F131-F222 AromaticContact CZ-CE2 4Å; F131-F222 HydrophobicContact CZ-CE2 4Å; F131-F222 HydrophobicContact CZ-CG 4.32Å; F131-F222 AromaticContact CZ-CZ 3.94Å; F131-F222 HydrophobicContact CZ-CZ 3.94Å |
| 132 | T | 89.2 | Confident | 86 | Confident | 44 Ų | 44 | 34.4 Ų | 34.4 | 27% | 0.27 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -117.1 | -20.8 | 176 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | C154 S155 | T132-C154 HydrophobicContact CG2-CB 4.3Å; T132-S155 PolarHBondContact O-OG 3.21Å; T132-S155 VanDerWaalsContact O-OG 3.07Å |
| 133 | D | 85.4 | Confident | 86 | Confident | 49 Ų | 49 | 35.3 Ų | 35.3 | 26% | 0.262 | 19% | 0.192 | S | C | . | . | trans | -136.9 | 144.7 | -176.4 | 73.3 | 101.7 | 0 | 0 | 0 | 111.8 | S135 A136 | D133-S135 VanDerWaalsContact C-N 3.3Å; D133-S135 PolarHBondContact O-N 2.95Å; D133-S135 WeakPolarHBondContact OD1-CB 3.32Å; D133-S135 PolarHBondContact OD1-N 3.43Å; D133-S135 PolarHBondContact OD1-OG 3.2Å; D133-A136 WeakPolarHBondContact OD1-CB 3.42Å; D133-A136 PolarHBondContact OD1-N 2.97Å | ||
| 134 | T | 87.5 | Confident | 86.2 | Confident | 19 Ų | 19 | 35.3 Ų | 35.3 | 12% | 0.117 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.8 | -25.4 | 179.6 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | L137 G138 L159 P160 E162 M219 | T134-L137 PolarHBondContact O-N 3.26Å; T134-G138 PolarHBondContact O-N 3.17Å; T134-L159 HydrophobicContact CG2-CB 4.16Å; T134-L159 HydrophobicContact CG2-CD1 4.1Å; T134-L159 HydrophobicContact CG2-CD2 4.13Å; T134-L159 HydrophobicContact CG2-CG 4.36Å; T134-P160 HydrophobicContact CG2-CG 4.11Å; T134-E162 PolarHBondContact OG1-OE2 2.83Å; T134-M219 HydrophobicContact CG2-CB 3.97Å; T134-M219 HydrophobicContact CG2-CE 4.05Å; T134-M219 HydrophobicContact CG2-CG 4.01Å |
| 135 | S | 84.5 | Confident | 86.7 | Confident | 60 Ų | 60 | 31.2 Ų | 31.2 | 42% | 0.42 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.2 | -45.2 | -174.3 | 87.5 | 0 | 0 | 0 | 0 | 112.1 | D133 G138 R139 | D133-S135 VanDerWaalsContact C-N 3.3Å; D133-S135 PolarHBondContact O-N 2.95Å; D133-S135 WeakPolarHBondContact OD1-CB 3.32Å; D133-S135 PolarHBondContact OD1-N 3.43Å; D133-S135 PolarHBondContact OD1-OG 3.2Å; S135-G138 PolarHBondContact O-N 3.27Å; S135-R139 PolarHBondContact O-N 2.83Å; S135-R139 PolarHBondContact O-NH1 3.08Å; S135-R139 PolarHBondContact OG-NH1 3.23Å; S135-R139 PolarHBondContact OG-NH2 2.71Å; S135-R139 VanDerWaalsContact OG-NH2 3.09Å |
| 136 | A | 82.3 | Confident | 87.3 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.6 | -38.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T82 D133 G138 R139 L140 | T82-A136 HydrophobicContact CG2-CB 3.92Å; D133-A136 WeakPolarHBondContact OD1-CB 3.42Å; D133-A136 PolarHBondContact OD1-N 2.97Å; A136-G138 VanDerWaalsContact C-N 3.34Å; A136-G138 PolarHBondContact O-N 3.22Å; A136-R139 VanDerWaalsContact CA-NH2 3.28Å; A136-R139 PolarHBondContact O-N 3.48Å; A136-L140 VanDerWaalsContact O-CG 3.28Å; A136-L140 WeakPolarHBondContact O-CG 3.31Å; A136-L140 PolarHBondContact O-N 2.86Å; A136-L140 VanDerWaalsContact O-N 3.14Å |
| 137 | L | 88 | Confident | 87.4 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 174.5 | -167.8 | 66.6 | 0 | 0 | 0 | 111.8 | I129 F131 T134 R139 L140 L141 L151 L164 M219 | I129-L137 HydrophobicContact CB-CD1 4.3Å; I129-L137 HydrophobicContact CD1-CD1 4.1Å; I129-L137 HydrophobicContact CG2-CD1 3.78Å; F131-L137 HydrophobicContact CB-CD1 4.47Å; F131-L137 HydrophobicContact CD1-CD2 4.22Å; F131-L137 HydrophobicContact CD2-CB 4.45Å; F131-L137 HydrophobicContact CD2-CD2 4Å; F131-L137 HydrophobicContact CE1-CD2 4.24Å; F131-L137 HydrophobicContact CE2-CD2 3.99Å; F131-L137 HydrophobicContact CG-CD1 4.42Å; F131-L137 HydrophobicContact CG-CD2 4.11Å; F131-L137 HydrophobicContact CZ-CD2 4.12Å; T134-L137 PolarHBondContact O-N 3.26Å; L137-R139 VanDerWaalsContact C-N 3.35Å; L137-R139 PolarHBondContact O-N 3.14Å; L137-L140 PolarHBondContact O-N 3.36Å; L137-L140 VanDerWaalsContact O-N 3.08Å; L137-L141 HydrophobicContact CD1-CD1 3.68Å; L137-L141 HydrophobicContact CD1-CG 4.32Å; L137-L141 HydrophobicContact CG-CD1 4.16Å; L137-L141 PolarHBondContact O-N 2.96Å; L137-L151 HydrophobicContact CD1-CD2 3.91Å; L137-L151 HydrophobicContact CD2-CD1 4.3Å; L137-L151 HydrophobicContact CD2-CD2 4.41Å; L137-L164 HydrophobicContact CD2-CD2 4.04Å; L137-L164 HydrophobicContact CG-CD2 4.08Å; L137-M219 HydrophobicContact CD2-CE 3.56Å; L137-M219 HydrophobicContact CD2-SD 4.3Å |
| 138 | G | 86.3 | Confident | 87.4 | Confident | 12 Ų | 12 | 29.3 Ų | 29.3 | 12% | 0.124 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.7 | -43.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T134 S135 A136 L140 N142 | T134-G138 PolarHBondContact O-N 3.17Å; S135-G138 PolarHBondContact O-N 3.27Å; A136-G138 VanDerWaalsContact C-N 3.34Å; A136-G138 PolarHBondContact O-N 3.22Å; G138-L140 VanDerWaalsContact C-N 3.25Å; G138-L140 PolarHBondContact O-N 3.03Å; G138-N142 WeakPolarHBondContact O-CB 3.4Å; G138-N142 VanDerWaalsContact O-CG 3.32Å; G138-N142 PolarHBondContact O-N 3.48Å; G138-N142 PolarHBondContact O-ND2 3.45Å |
| 139 | R | 82.3 | Confident | 87.4 | Confident | 142 Ų | 142 | 28.4 Ų | 28.4 | 54% | 0.536 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64.7 | -28.7 | 175.7 | -70.8 | -176.3 | -70.7 | -86.9 | 1.8 | 113.3 | S135 A136 L137 | S135-R139 PolarHBondContact O-N 2.83Å; S135-R139 PolarHBondContact O-NH1 3.08Å; S135-R139 PolarHBondContact OG-NH1 3.23Å; S135-R139 PolarHBondContact OG-NH2 2.71Å; S135-R139 VanDerWaalsContact OG-NH2 3.09Å; A136-R139 VanDerWaalsContact CA-NH2 3.28Å; A136-R139 PolarHBondContact O-N 3.48Å; L137-R139 VanDerWaalsContact C-N 3.35Å; L137-R139 PolarHBondContact O-N 3.14Å |
| 140 | L | 84.5 | Confident | 87.5 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -85.4 | -35.2 | -177.4 | -72 | 171.8 | 0 | 0 | 0 | 113.9 | I80 T82 I87 V118 A136 L137 G138 T144 | I80-L140 HydrophobicContact CG2-CD1 3.99Å; T82-L140 HydrophobicContact CG2-CD1 4.46Å; I87-L140 HydrophobicContact CD1-CD2 4.12Å; I87-L140 HydrophobicContact CD1-CG 4.47Å; I87-L140 HydrophobicContact CG2-CD2 4.44Å; V118-L140 HydrophobicContact CB-CD2 3.56Å; V118-L140 HydrophobicContact CG1-CD2 3.14Å; V118-L140 HydrophobicContact CG2-CD2 4.2Å; A136-L140 VanDerWaalsContact O-CG 3.28Å; A136-L140 WeakPolarHBondContact O-CG 3.31Å; A136-L140 PolarHBondContact O-N 2.86Å; A136-L140 VanDerWaalsContact O-N 3.14Å; L137-L140 PolarHBondContact O-N 3.36Å; L137-L140 VanDerWaalsContact O-N 3.08Å; G138-L140 VanDerWaalsContact C-N 3.25Å; G138-L140 PolarHBondContact O-N 3.03Å; L140-T144 PolarHBondContact O-OG1 3.13Å |
| 141 | L | 87.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -119.3 | -18.4 | -165.5 | -74.3 | -176.7 | 0 | 0 | 0 | 114.7 | L127 I129 L137 F143 T144 V146 L149 L151 L164 A165 I166 | L127-L141 HydrophobicContact CD2-CD2 3.98Å; I129-L141 HydrophobicContact CD1-CD1 3.77Å; I129-L141 HydrophobicContact CD1-CD2 3.88Å; I129-L141 HydrophobicContact CD1-CG 3.79Å; L137-L141 HydrophobicContact CD1-CD1 3.68Å; L137-L141 HydrophobicContact CD1-CG 4.32Å; L137-L141 HydrophobicContact CG-CD1 4.16Å; L137-L141 PolarHBondContact O-N 2.96Å; L141-F143 PolarHBondContact O-N 3.39Å; L141-T144 WeakPolarHBondContact O-CB 3.26Å; L141-T144 PolarHBondContact O-N 2.73Å; L141-T144 PolarHBondContact O-OG1 2.89Å; L141-V146 HydrophobicContact CD2-CG2 3.92Å; L141-L149 HydrophobicContact CD1-CD1 4.1Å; L141-L149 HydrophobicContact CD1-CD2 3.76Å; L141-L149 HydrophobicContact CD2-CD1 4.41Å; L141-L151 HydrophobicContact CD1-CD2 3.99Å; L141-L164 HydrophobicContact CB-CD1 4Å; L141-L164 HydrophobicContact CB-CD2 3.88Å; L141-L164 HydrophobicContact CB-CG 4.25Å; L141-L164 HydrophobicContact CD1-CD2 3.73Å; L141-L164 HydrophobicContact CG-CD2 4.48Å; L141-A165 VanDerWaalsContact O-O 3.13Å; L141-I166 HydrophobicContact CB-CG1 4.44Å |
| 142 | N | 86.4 | Confident | 87.6 | Confident | 45 Ų | 45 | 29.9 Ų | 29.9 | 24% | 0.241 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 119.4 | -179.5 | -84.2 | -30.9 | 0 | 0 | 0 | 110.5 | G138 T144 L164 A165 | G138-N142 WeakPolarHBondContact O-CB 3.4Å; G138-N142 VanDerWaalsContact O-CG 3.32Å; G138-N142 PolarHBondContact O-N 3.48Å; G138-N142 PolarHBondContact O-ND2 3.45Å; N142-T144 PolarHBondContact O-N 2.85Å; N142-L164 WeakPolarHBondContact OD1-CD1 3.28Å; N142-A165 CarbonylContact C-O 3.37Å; N142-A165 VanDerWaalsContact CA-O 3.27Å; N142-A165 WeakPolarHBondContact CA-O 3.29Å; N142-A165 PolarHBondContact OD1-N 2.89Å |
| 143 | F | 81.3 | Confident | 87.7 | Confident | 54 Ų | 54 | 27.9 Ų | 27.9 | 24% | 0.237 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 25.7 | -176.9 | -51.2 | -70.6 | 0 | 0 | 0 | 114.7 | L141 A165 Y248 F252 | L141-F143 PolarHBondContact O-N 3.39Å; F143-A165 HydrophobicContact CD1-CB 4.15Å; F143-A165 HydrophobicContact CE1-CB 3.78Å; F143-A165 HydrophobicContact CZ-CB 4.04Å; F143-A165 PolarHBondContact N-O 3.01Å; F143-Y248 HydrophobicContact CE2-CD1 4.42Å; F143-Y248 HydrophobicContact CZ-CD1 4.4Å; F143-F252 HydrophobicContact CB-CD2 4.29Å; F143-F252 HydrophobicContact CB-CE2 4.05Å; F143-F252 AromaticContact CD1-CD2 3.28Å; F143-F252 HydrophobicContact CD1-CD2 3.28Å; F143-F252 AromaticContact CD1-CE2 3.58Å; F143-F252 HydrophobicContact CD1-CE2 3.58Å; F143-F252 HydrophobicContact CD1-CG 4.19Å; F143-F252 HydrophobicContact CD2-CD2 4.2Å; F143-F252 HydrophobicContact CE1-CB 4.04Å; F143-F252 AromaticContact CE1-CD2 3.49Å; F143-F252 HydrophobicContact CE1-CD2 3.49Å; F143-F252 VanDerWaalsContact CE1-CD2 3.49Å; F143-F252 HydrophobicContact CE1-CE2 4.21Å; F143-F252 AromaticContact CE1-CG 3.98Å; F143-F252 HydrophobicContact CE1-CG 3.98Å; F143-F252 HydrophobicContact CE2-CD2 4.37Å; F143-F252 AromaticContact CG-CD2 3.66Å; F143-F252 HydrophobicContact CG-CD2 3.66Å; F143-F252 AromaticContact CG-CE2 3.9Å; F143-F252 HydrophobicContact CG-CE2 3.9Å; F143-F252 HydrophobicContact CZ-CB 4.08Å; F143-F252 HydrophobicContact CZ-CD2 4.03Å; F143-F252 HydrophobicContact CZ-CG 4.44Å |
| 144 | T | 85.1 | Confident | 88 | Confident | 9 Ų | 9 | 26.5 Ų | 26.5 | 6% | 0.055 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 136 | 175.5 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | R120 Y123 L140 L141 N142 V146 C167 | R120-T144 WeakPolarHBondContact O-CG2 3.36Å; Y123-T144 HydrophobicContact CD2-CG2 3.61Å; Y123-T144 HydrophobicContact CE2-CG2 3.76Å; L140-T144 PolarHBondContact O-OG1 3.13Å; L141-T144 WeakPolarHBondContact O-CB 3.26Å; L141-T144 PolarHBondContact O-N 2.73Å; L141-T144 PolarHBondContact O-OG1 2.89Å; N142-T144 PolarHBondContact O-N 2.85Å; T144-V146 HydrophobicContact CG2-CG2 3.93Å; T144-V146 PolarHBondContact O-N 3.04Å; T144-C167 WeakPolarHBondContact O-CB 3.32Å; T144-C167 PolarHBondContact O-N 2.9Å |
| 145 | L | 86.2 | Confident | 87.9 | Confident | 64 Ų | 64 | 26.3 Ų | 26.3 | 34% | 0.335 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 111.7 | 177 | -177.8 | 68.2 | 0 | 0 | 0 | 110.8 | T121 S122 Y123 C167 | T121-L145 PolarHBondContact O-N 3.22Å; T121-L145 VanDerWaalsContact O-N 3.12Å; S122-L145 CarbonylContact C-O 3.59Å; S122-L145 VanDerWaalsContact CA-O 3.31Å; S122-L145 WeakPolarHBondContact CA-O 3.45Å; Y123-L145 PolarHBondContact N-O 2.93Å; L145-C167 WeakPolarHBondContact CA-O 3.44Å; L145-C167 HydrophobicContact CB-CB 4.36Å; L145-C167 HydrophobicContact CD1-CB 4.23Å |
| 146 | V | 87.7 | Confident | 88 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 126.5 | 179.2 | -172.8 | 0 | 0 | 0 | 0 | 109.5 | Y123 L127 L141 T144 L149 I166 C167 G168 L169 | Y123-V146 HydrophobicContact CD2-CG2 3.92Å; L127-V146 HydrophobicContact CB-CG1 3.92Å; L127-V146 HydrophobicContact CD2-CG1 4.01Å; L127-V146 HydrophobicContact CD2-CG2 3.95Å; L141-V146 HydrophobicContact CD2-CG2 3.92Å; T144-V146 HydrophobicContact CG2-CG2 3.93Å; T144-V146 PolarHBondContact O-N 3.04Å; V146-L149 HydrophobicContact CG1-CB 3.99Å; V146-L149 HydrophobicContact CG1-CD1 4.31Å; V146-I166 HydrophobicContact CB-CG2 4.31Å; V146-C167 PolarHBondContact N-O 3.38Å; V146-G168 CarbonylContact O-C 3.52Å; V146-L169 VanDerWaalsContact O-CA 3.24Å; V146-L169 WeakPolarHBondContact O-CA 3.21Å; V146-L169 PolarHBondContact O-N 3.22Å |
| 147 | Q | 89.5 | Confident | 88.2 | Confident | 69 Ų | 69 | 31.7 Ų | 31.7 | 32% | 0.322 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -47.7 | -177.1 | -68.1 | 177.6 | -2.5 | 0 | 0 | 113.4 | Q170 R171 | Q147-Q170 HydrophobicContact CB-CG 4.46Å; Q147-Q170 WeakPolarHBondContact O-CA 3.03Å; Q147-Q170 WeakPolarHBondContact O-CB 3.03Å; Q147-Q170 PolarHBondContact O-N 3.41Å; Q147-R171 PolarHBondContact O-N 3.47Å |
| 148 | D | 91.1 | Very high | 88.2 | Confident | 17 Ų | 17 | 37.1 Ų | 37.1 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 112.6 | 176.3 | -168.6 | -12.4 | 0 | 0 | 0 | 108.6 | H126 L127 R171 R173 | H126-D148 IonicContact CE1-OD2 2.85Å; H126-D148 PolarHBondContact CE1-OD2 2.89Å; H126-D148 IonicContact CG-OD2 3.98Å; H126-D148 WeakPolarHBondContact ND1-CB 3.46Å; H126-D148 VanDerWaalsContact ND1-CG 3.25Å; H126-D148 IonicContact ND1-OD2 3.13Å; H126-D148 PolarHBondContact ND1-OD2 2.84Å; L127-D148 PolarHBondContact N-O 2.03Å; D148-R171 WeakPolarHBondContact CA-O 3.36Å; D148-R171 HydrophobicContact CB-CB 4.4Å; D148-R173 IonicContact OD1-NE 3.58Å; D148-R173 IonicContact OD2-NH2 3.82Å; D148-R173 PolarHBondContact OD2-NH2 3.49Å |
| 149 | L | 93.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128.5 | -176.1 | -179.9 | 64.7 | 0 | 0 | 0 | 109.8 | L127 I129 L141 V146 L151 I166 L169 R171 L172 R173 | L127-L149 HydrophobicContact CB-CD1 4.25Å; L127-L149 HydrophobicContact CD2-CD1 4Å; L127-L149 HydrophobicContact CG-CD1 4.06Å; L127-L149 CarbonylContact O-C 3.56Å; L127-L149 WeakPolarHBondContact O-CA 3.37Å; I129-L149 HydrophobicContact CD1-CD1 4.38Å; I129-L149 HydrophobicContact CG1-CD1 4.26Å; L141-L149 HydrophobicContact CD1-CD1 4.1Å; L141-L149 HydrophobicContact CD1-CD2 3.76Å; L141-L149 HydrophobicContact CD2-CD1 4.41Å; V146-L149 HydrophobicContact CG1-CB 3.99Å; V146-L149 HydrophobicContact CG1-CD1 4.31Å; L149-L151 HydrophobicContact CD1-CD2 3.85Å; L149-L151 HydrophobicContact CD1-CG 4.36Å; L149-L151 HydrophobicContact CD2-CD1 4.04Å; L149-L151 HydrophobicContact CD2-CD2 3.99Å; L149-L151 HydrophobicContact CD2-CG 3.91Å; L149-L151 HydrophobicContact CG-CD2 3.96Å; L149-L151 HydrophobicContact CG-CG 3.92Å; L149-I166 HydrophobicContact CD2-CD1 3.55Å; L149-L169 HydrophobicContact CB-CD1 3.63Å; L149-L169 HydrophobicContact CD2-CD1 4.45Å; L149-R171 PolarHBondContact N-O 3.27Å; L149-L172 HydrophobicContact CB-CD1 4.35Å; L149-L172 HydrophobicContact CD2-CD1 4.1Å; L149-L172 HydrophobicContact CG-CD1 4.26Å; L149-L172 CarbonylContact O-C 3.59Å; L149-L172 WeakPolarHBondContact O-CA 3.25Å; L149-R173 PolarHBondContact O-N 3.29Å |
| 150 | K | 94.2 | Very high | 88.6 | Confident | 36 Ų | 36 | 32.9 Ų | 32.9 | 16% | 0.157 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.1 | 165.5 | 177.3 | 173.6 | 169 | 168.7 | 0 | 109.6 | D98 L127 T128 I129 S152 R173 E184 | D98-K150 VanDerWaalsContact CG-NZ 3.34Å; D98-K150 VanDerWaalsContact OD1-CE 3.25Å; D98-K150 WeakPolarHBondContact OD1-CE 3.15Å; D98-K150 IonicContact OD1-NZ 3.87Å; D98-K150 PolarHBondContact OD1-NZ 2.78Å; D98-K150 VanDerWaalsContact OD1-NZ 3.13Å; D98-K150 WeakPolarHBondContact OD2-CE 3.34Å; D98-K150 IonicContact OD2-NZ 3.31Å; D98-K150 PolarHBondContact OD2-NZ 2.87Å; L127-K150 PolarHBondContact O-N 2.96Å; T128-K150 CarbonylContact C-O 3.57Å; T128-K150 WeakPolarHBondContact CA-O 3.38Å; T128-K150 HydrophobicContact CG2-CB 4.23Å; T128-K150 HydrophobicContact CG2-CD 4.1Å; T128-K150 HydrophobicContact CG2-CG 4.11Å; I129-K150 PolarHBondContact N-O 2.03Å; K150-S152 WeakPolarHBondContact CE-OG 3.13Å; K150-R173 CarbonylContact C-O 3.56Å; K150-R173 VanDerWaalsContact CA-O 3.31Å; K150-R173 WeakPolarHBondContact CA-O 3.27Å; K150-R173 HydrophobicContact CB-CB 4.13Å; K150-R173 HydrophobicContact CG-CB 4.1Å; K150-E184 WeakPolarHBondContact CE-OE2 3.3Å; K150-E184 IonicContact NZ-OE2 3.34Å; K150-E184 PolarHBondContact NZ-OE2 3.09Å |
| 151 | L | 94.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 124.3 | 177.3 | -65.6 | -178.1 | 0 | 0 | 0 | 110.2 | I129 F131 L137 L141 L149 L172 R173 I174 N175 L217 F222 | I129-L151 HydrophobicContact CB-CD2 3.87Å; I129-L151 HydrophobicContact CG1-CD2 4.36Å; I129-L151 WeakPolarHBondContact O-CA 3.5Å; F131-L151 HydrophobicContact CE1-CB 4.07Å; L137-L151 HydrophobicContact CD1-CD2 3.91Å; L137-L151 HydrophobicContact CD2-CD1 4.3Å; L137-L151 HydrophobicContact CD2-CD2 4.41Å; L141-L151 HydrophobicContact CD1-CD2 3.99Å; L149-L151 HydrophobicContact CD1-CD2 3.85Å; L149-L151 HydrophobicContact CD1-CG 4.36Å; L149-L151 HydrophobicContact CD2-CD1 4.04Å; L149-L151 HydrophobicContact CD2-CD2 3.99Å; L149-L151 HydrophobicContact CD2-CG 3.91Å; L149-L151 HydrophobicContact CG-CD2 3.96Å; L149-L151 HydrophobicContact CG-CG 3.92Å; L151-L172 HydrophobicContact CD1-CD1 4.28Å; L151-L172 HydrophobicContact CG-CD1 4.4Å; L151-R173 PolarHBondContact N-O 3.06Å; L151-I174 CarbonylContact O-C 3.54Å; L151-I174 VanDerWaalsContact O-CA 3.26Å; L151-I174 WeakPolarHBondContact O-CA 3.47Å; L151-N175 PolarHBondContact O-N 2.9Å; L151-L217 HydrophobicContact CD1-CD2 3.53Å; L151-F222 HydrophobicContact CB-CE1 4.23Å; L151-F222 HydrophobicContact CB-CZ 3.76Å; L151-F222 HydrophobicContact CD1-CZ 4.05Å |
| 152 | S | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 120 | 177 | -47.8 | 0 | 0 | 0 | 0 | 110.3 | D98 I129 W130 F131 K150 C154 N175 | D98-S152 PolarHBondContact OD1-OG 3.19Å; D98-S152 PolarHBondContact OD2-OG 3.06Å; I129-S152 PolarHBondContact O-N 3.37Å; W130-S152 WeakPolarHBondContact CA-O 3.41Å; F131-S152 VanDerWaalsContact CD1-O 3.3Å; F131-S152 WeakPolarHBondContact CD1-O 3.13Å; F131-S152 PolarHBondContact N-O 2.81Å; K150-S152 WeakPolarHBondContact CE-OG 3.13Å; S152-C154 PolarHBondContact O-N 2.89Å; S152-N175 WeakPolarHBondContact CA-O 3.17Å |
| 153 | L | 91.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 114.7 | 175.8 | 177 | 62.7 | 0 | 0 | 0 | 109.7 | F131 S155 L159 N175 A178 F222 | F131-L153 HydrophobicContact CD2-CD1 4.27Å; F131-L153 HydrophobicContact CE1-CB 4.27Å; F131-L153 HydrophobicContact CE2-CD1 3.86Å; F131-L153 HydrophobicContact CZ-CB 4.1Å; F131-L153 HydrophobicContact CZ-CD1 4.12Å; L153-S155 WeakPolarHBondContact CG-O 3.31Å; L153-L159 HydrophobicContact CD1-CD1 4.28Å; L153-L159 HydrophobicContact CD1-CD2 4Å; L153-L159 HydrophobicContact CD1-CG 4.44Å; L153-L159 HydrophobicContact CD2-CD1 4.26Å; L153-L159 HydrophobicContact CD2-CG 4.22Å; L153-N175 PolarHBondContact N-O 3.47Å; L153-A178 PolarHBondContact O-N 2.8Å; L153-F222 HydrophobicContact CB-CD1 3.93Å; L153-F222 HydrophobicContact CD2-CB 3.83Å |
| 154 | C | 90.8 | Very high | 88.9 | Confident | 21 Ų | 21 | 40.8 Ų | 40.8 | 14% | 0.142 | 23% | 0.23 | C | C | . | . | trans | -103.9 | 20.3 | -176.2 | -58.2 | 0 | 0 | 0 | 0 | 113.5 | C99 Y101 F131 T132 S152 A178 | C99-C154 WeakPolarHBondContact CA-SG 3.32Å; C99-C154 HydrophobicContact CB-CB 3.65Å; C99-C154 WeakPolarHBondContact CB-SG 3.39Å; C99-C154 WeakPolarHBondContact SG-CA 3.42Å; C99-C154 WeakPolarHBondContact SG-CB 3.36Å; C99-C154 CovalentContact SG-SG 2.03Å; C99-C154 PolarHBondContact SG-SG 3.15Å; Y101-C154 WeakPolarHBondContact OH-CB 3.35Å; F131-C154 PolarHBondContact O-N 3.37Å; T132-C154 HydrophobicContact CG2-CB 4.3Å; S152-C154 PolarHBondContact O-N 2.89Å; C154-A178 VanDerWaalsContact C-CB 3.47Å | ||
| 155 | S | 86.9 | Confident | 89 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -131.1 | 149.2 | 173.5 | 73 | 0 | 0 | 0 | 0 | 111.1 | T132 L153 N157 A178 | T132-S155 PolarHBondContact O-OG 3.21Å; T132-S155 VanDerWaalsContact O-OG 3.07Å; L153-S155 WeakPolarHBondContact CG-O 3.31Å; S155-N157 PolarHBondContact O-N 3.15Å; S155-A178 VanDerWaalsContact C-CB 3.42Å; S155-A178 WeakPolarHBondContact O-CB 3.05Å |
| 156 | A | 85.9 | Confident | 89.2 | Confident | 70 Ų | 70 | 37.3 Ų | 37.3 | 58% | 0.579 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -77.4 | 0.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K179 | A156-K179 WeakPolarHBondContact O-CE 3.03Š|
| 157 | N | 86.2 | Confident | 89.2 | Confident | 107 Ų | 107 | 37.4 Ų | 37.4 | 57% | 0.572 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -69.8 | 149.8 | -174.3 | -65.6 | -19.8 | 0 | 0 | 0 | 111.4 | S155 K179 | S155-N157 PolarHBondContact O-N 3.15Å; N157-K179 WeakPolarHBondContact O-CE 3.47Å; N157-K179 PolarHBondContact O-NZ 3.04Å |
| 158 | T | 87.8 | Confident | 89.1 | Confident | 116 Ų | 116 | 34.9 Ų | 34.9 | 71% | 0.712 | 20% | 0.204 | S | C | * | . | P | Polyproline II helix | trans | -75.5 | 130.6 | 167.8 | 49.3 | 0 | 0 | 0 | 0 | 109.6 | N223 | T158-N223 VanDerWaalsContact CA-OD1 3.25Å; T158-N223 WeakPolarHBondContact CA-OD1 3.49Å |
| 159 | L | 89 | Confident | 89 | Confident | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 146.7 | 174.7 | -58.3 | -169 | 0 | 0 | 0 | 110.4 | F131 T134 L153 M219 F222 N223 | F131-L159 HydrophobicContact CE2-CD1 3.7Å; F131-L159 HydrophobicContact CZ-CD1 4.05Å; T134-L159 HydrophobicContact CG2-CB 4.16Å; T134-L159 HydrophobicContact CG2-CD1 4.1Å; T134-L159 HydrophobicContact CG2-CD2 4.13Å; T134-L159 HydrophobicContact CG2-CG 4.36Å; L153-L159 HydrophobicContact CD1-CD1 4.28Å; L153-L159 HydrophobicContact CD1-CD2 4Å; L153-L159 HydrophobicContact CD1-CG 4.44Å; L153-L159 HydrophobicContact CD2-CD1 4.26Å; L153-L159 HydrophobicContact CD2-CG 4.22Å; L159-M219 HydrophobicContact CD1-CE 3.99Å; L159-F222 HydrophobicContact CD1-CB 3.74Å; L159-F222 HydrophobicContact CD1-CD2 3.94Å; L159-F222 HydrophobicContact CD1-CG 4.06Å; L159-F222 HydrophobicContact CG-CB 4.44Å; L159-N223 PolarHBondContact N-ND2 2.93Å; L159-N223 PolarHBondContact N-OD1 2.61Å; L159-N223 PolarHBondContact O-ND2 3.07Å |
| 160 | P | 87.3 | Confident | 88.9 | Confident | 54 Ų | 54 | 37.3 Ų | 37.3 | 35% | 0.351 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -66.8 | 158 | 173.5 | 30.9 | -36.9 | 0 | 0 | 0 | 111.4 | T134 E162 | T134-P160 HydrophobicContact CG2-CG 4.11Å; P160-E162 HydrophobicContact CB-CG 4Å; P160-E162 HydrophobicContact CG-CB 4.46Å; P160-E162 VanDerWaalsContact CG-CD 3.46Å; P160-E162 HydrophobicContact CG-CG 3.92Å; P160-E162 WeakPolarHBondContact CG-OE2 3.33Å; P160-E162 PolarHBondContact O-N 3.1Å |
| 161 | T | 84.4 | Confident | 88.8 | Confident | 105 Ų | 105 | 40.1 Ų | 40.1 | 64% | 0.644 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -76.8 | 77.7 | 170.9 | -48 | 0 | 0 | 0 | 0 | 109.4 | A220 | T161-A220 HydrophobicContact CG2-CB 4.35Š|
| 162 | E | 86 | Confident | 88.8 | Confident | 87 Ų | 87 | 40.1 Ų | 40.1 | 41% | 0.407 | 23% | 0.225 | S | C | . | . | trans | -122 | 156.7 | 178.1 | -71.1 | 173.8 | 176.4 | 0 | 0 | 109.7 | T134 P160 M219 | T134-E162 PolarHBondContact OG1-OE2 2.83Å; P160-E162 HydrophobicContact CB-CG 4Å; P160-E162 HydrophobicContact CG-CB 4.46Å; P160-E162 VanDerWaalsContact CG-CD 3.46Å; P160-E162 HydrophobicContact CG-CG 3.92Å; P160-E162 WeakPolarHBondContact CG-OE2 3.33Å; P160-E162 PolarHBondContact O-N 3.1Å; E162-M219 WeakPolarHBondContact O-CB 3.49Å; E162-M219 VanDerWaalsContact O-CG 3.31Å; E162-M219 WeakPolarHBondContact O-CG 3.43Å; E162-M219 PolarHBondContact O-N 3.04Å | ||
| 163 | Y | 87.1 | Confident | 88.8 | Confident | 69 Ų | 69 | 43.2 Ų | 43.2 | 27% | 0.271 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 139.6 | 175.4 | -71.4 | -90.3 | 0 | 0 | 0 | 111.3 | F216 L217 D218 F246 Y248 | Y163-F216 HydrophobicContact CD1-CB 4.03Å; Y163-L217 VanDerWaalsContact CA-O 3.31Å; Y163-L217 WeakPolarHBondContact CA-O 3.43Å; Y163-D218 HydrophobicContact CD1-CB 4.26Å; Y163-D218 HydrophobicContact CE1-CB 3.76Å; Y163-F246 HydrophobicContact CD1-CE1 4.17Å; Y163-F246 HydrophobicContact CD2-CD1 4.33Å; Y163-F246 AromaticContact CD2-CE1 3.57Å; Y163-F246 HydrophobicContact CD2-CE1 3.57Å; Y163-F246 HydrophobicContact CD2-CZ 4.35Å; Y163-F246 HydrophobicContact CE1-CE1 4.23Å; Y163-F246 AromaticContact CE2-CE1 3.65Å; Y163-F246 HydrophobicContact CE2-CE1 3.65Å; Y163-F246 AromaticContact CE2-CZ 3.96Å; Y163-F246 HydrophobicContact CE2-CZ 3.96Å; Y163-F246 AromaticContact CG-CE1 3.83Å; Y163-F246 HydrophobicContact CG-CE1 3.83Å; Y163-F246 AromaticContact CZ-CE1 3.98Å; Y163-Y248 WeakPolarHBondContact O-CE2 3.31Å; Y163-Y248 PolarHBondContact O-OH 2.91Å |
| 164 | L | 89.5 | Confident | 88.9 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131 | 168.1 | -176.5 | 75 | 0 | 0 | 0 | 109.3 | L137 L141 N142 I166 F216 L217 M219 | L137-L164 HydrophobicContact CD2-CD2 4.04Å; L137-L164 HydrophobicContact CG-CD2 4.08Å; L141-L164 HydrophobicContact CB-CD1 4Å; L141-L164 HydrophobicContact CB-CD2 3.88Å; L141-L164 HydrophobicContact CB-CG 4.25Å; L141-L164 HydrophobicContact CD1-CD2 3.73Å; L141-L164 HydrophobicContact CG-CD2 4.48Å; N142-L164 WeakPolarHBondContact OD1-CD1 3.28Å; L164-I166 HydrophobicContact CD2-CD1 3.81Å; L164-I166 HydrophobicContact CD2-CG1 3.99Å; L164-I166 HydrophobicContact CG-CD1 4.35Å; L164-I166 HydrophobicContact CG-CG1 4.1Å; L164-F216 WeakPolarHBondContact O-CA 3.24Å; L164-L217 HydrophobicContact CB-CB 4.3Å; L164-L217 PolarHBondContact N-O 2.86Å; L164-L217 PolarHBondContact O-N 3.15Å; L164-M219 HydrophobicContact CB-SD 3.89Å |
| 165 | A | 87.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 116.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L141 N142 F143 S215 F216 | L141-A165 VanDerWaalsContact O-O 3.13Å; N142-A165 CarbonylContact C-O 3.37Å; N142-A165 VanDerWaalsContact CA-O 3.27Å; N142-A165 WeakPolarHBondContact CA-O 3.29Å; N142-A165 PolarHBondContact OD1-N 2.89Å; F143-A165 HydrophobicContact CD1-CB 4.15Å; F143-A165 HydrophobicContact CE1-CB 3.78Å; F143-A165 HydrophobicContact CZ-CB 4.04Å; F143-A165 PolarHBondContact N-O 3.01Å; A165-S215 CarbonylContact C-O 3.59Å; A165-S215 WeakPolarHBondContact CA-O 3.34Å; A165-F216 HydrophobicContact CB-CD1 4.2Å; A165-F216 HydrophobicContact CB-CE1 3.71Å; A165-F216 HydrophobicContact CB-CZ 4.21Å |
| 166 | I | 89.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.1 | -176.6 | -57.5 | 157.9 | 0 | 0 | 0 | 110 | L141 V146 L149 L164 L169 S215 | L141-I166 HydrophobicContact CB-CG1 4.44Å; V146-I166 HydrophobicContact CB-CG2 4.31Å; L149-I166 HydrophobicContact CD2-CD1 3.55Å; L164-I166 HydrophobicContact CD2-CD1 3.81Å; L164-I166 HydrophobicContact CD2-CG1 3.99Å; L164-I166 HydrophobicContact CG-CD1 4.35Å; L164-I166 HydrophobicContact CG-CG1 4.1Å; I166-L169 HydrophobicContact CD1-CD2 4.22Å; I166-L169 HydrophobicContact CG2-CB 4.2Å; I166-L169 HydrophobicContact CG2-CD1 4.35Å; I166-S215 PolarHBondContact N-O 3.39Å; I166-S215 PolarHBondContact O-N 2.96Å |
| 167 | C | 87.1 | Confident | 88.3 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.02 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 135.8 | 179.7 | -68.6 | 0 | 0 | 0 | 0 | 112.2 | T144 L145 V146 L169 C211 Y213 | T144-C167 WeakPolarHBondContact O-CB 3.32Å; T144-C167 PolarHBondContact O-N 2.9Å; L145-C167 WeakPolarHBondContact CA-O 3.44Å; L145-C167 HydrophobicContact CB-CB 4.36Å; L145-C167 HydrophobicContact CD1-CB 4.23Å; V146-C167 PolarHBondContact N-O 3.38Å; C167-L169 VanDerWaalsContact C-N 3.28Å; C167-L169 PolarHBondContact O-N 3.26Å; C167-C211 WeakPolarHBondContact CA-SG 3.28Å; C167-C211 HydrophobicContact CB-CB 3.69Å; C167-C211 WeakPolarHBondContact CB-SG 3.2Å; C167-C211 WeakPolarHBondContact SG-CB 3.44Å; C167-C211 CovalentContact SG-SG 2Å; C167-C211 PolarHBondContact SG-SG 2.83Å; C167-Y213 WeakPolarHBondContact CA-O 3.39Å |
| 168 | G | 87.3 | Confident | 87.5 | Confident | 15 Ų | 15 | 38.7 Ų | 38.7 | 16% | 0.155 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 68.1 | 21.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | V146 Q170 Y213 | V146-G168 CarbonylContact O-C 3.52Å; G168-Q170 PolarHBondContact O-N 3.46Å; G168-Y213 PolarHBondContact N-O 2.93Å |
| 169 | L | 90.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -66.6 | 122.4 | -178.1 | -167.1 | 64.8 | 0 | 0 | 0 | 111 | V146 L149 I166 C167 R171 L172 I189 I265 | V146-L169 VanDerWaalsContact O-CA 3.24Å; V146-L169 WeakPolarHBondContact O-CA 3.21Å; V146-L169 PolarHBondContact O-N 3.22Å; L149-L169 HydrophobicContact CB-CD1 3.63Å; L149-L169 HydrophobicContact CD2-CD1 4.45Å; I166-L169 HydrophobicContact CD1-CD2 4.22Å; I166-L169 HydrophobicContact CG2-CB 4.2Å; I166-L169 HydrophobicContact CG2-CD1 4.35Å; C167-L169 VanDerWaalsContact C-N 3.28Å; C167-L169 PolarHBondContact O-N 3.26Å; L169-R171 WeakPolarHBondContact CD1-O 2.95Å; L169-L172 HydrophobicContact CD2-CB 4.17Å; L169-I189 HydrophobicContact CB-CD1 4.15Å; L169-I189 HydrophobicContact CD2-CD1 3.73Å; L169-I189 HydrophobicContact CG-CD1 3.81Å; L169-I265 HydrophobicContact CD2-CD1 3.96Å | ||
| 170 | Q | 91 | Very high | 85.2 | Confident | 69 Ų | 69 | 40.2 Ų | 40.2 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | trans | -105.8 | -38.9 | 176.4 | -63.7 | 179.7 | -3.1 | 0 | 0 | 111.1 | Q147 G168 I189 | Q147-Q170 HydrophobicContact CB-CG 4.46Å; Q147-Q170 WeakPolarHBondContact O-CA 3.03Å; Q147-Q170 WeakPolarHBondContact O-CB 3.03Å; Q147-Q170 PolarHBondContact O-N 3.41Å; G168-Q170 PolarHBondContact O-N 3.46Å; Q170-I189 PolarHBondContact O-N 3.03Å | ||
| 171 | R | 92 | Very high | 84 | Confident | 95 Ų | 95 | 43.7 Ų | 43.7 | 36% | 0.358 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 132 | 179.1 | -174.1 | -179 | -59.8 | -158.1 | -1.7 | 110.2 | Q147 D148 L149 L169 R173 L187 L188 | Q147-R171 PolarHBondContact O-N 3.47Å; D148-R171 WeakPolarHBondContact CA-O 3.36Å; D148-R171 HydrophobicContact CB-CB 4.4Å; L149-R171 PolarHBondContact N-O 3.27Å; L169-R171 WeakPolarHBondContact CD1-O 2.95Å; R171-R173 HydrophobicContact CG-CG 4.4Å; R171-L187 WeakPolarHBondContact CA-O 3.49Å; R171-L188 HydrophobicContact CB-CD1 4.37Å |
| 172 | L | 94.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.6 | 170.3 | 179.4 | 66.1 | 0 | 0 | 0 | 109.3 | L149 L151 L169 I174 S186 L187 L217 L228 I265 | L149-L172 HydrophobicContact CB-CD1 4.35Å; L149-L172 HydrophobicContact CD2-CD1 4.1Å; L149-L172 HydrophobicContact CG-CD1 4.26Å; L149-L172 CarbonylContact O-C 3.59Å; L149-L172 WeakPolarHBondContact O-CA 3.25Å; L151-L172 HydrophobicContact CD1-CD1 4.28Å; L151-L172 HydrophobicContact CG-CD1 4.4Å; L169-L172 HydrophobicContact CD2-CB 4.17Å; L172-I174 HydrophobicContact CD1-CG2 4.32Å; L172-I174 HydrophobicContact CD2-CG2 4.17Å; L172-I174 HydrophobicContact CG-CG2 4.09Å; L172-S186 CarbonylContact O-C 3.57Å; L172-S186 WeakPolarHBondContact O-CA 3.26Å; L172-L187 PolarHBondContact N-O 3.46Å; L172-L187 PolarHBondContact O-N 2.94Å; L172-L217 HydrophobicContact CD2-CD1 3.49Å; L172-L217 VanDerWaalsContact CD2-CD1 3.49Å; L172-L217 HydrophobicContact CD2-CD2 4.37Å; L172-L228 HydrophobicContact CD2-CD1 4.48Å; L172-I265 HydrophobicContact CD2-CD1 4.05Å; L172-I265 HydrophobicContact CD2-CG2 3.93Å |
| 173 | R | 93.4 | Very high | 82.6 | Confident | 64 Ų | 64 | 42.7 Ų | 42.7 | 24% | 0.242 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140 | 166.2 | -52.3 | -174.3 | -146.8 | -179.3 | 3 | 109.5 | D148 L149 K150 L151 R171 E184 Q185 | D148-R173 IonicContact OD1-NE 3.58Å; D148-R173 IonicContact OD2-NH2 3.82Å; D148-R173 PolarHBondContact OD2-NH2 3.49Å; L149-R173 PolarHBondContact O-N 3.29Å; K150-R173 CarbonylContact C-O 3.56Å; K150-R173 VanDerWaalsContact CA-O 3.31Å; K150-R173 WeakPolarHBondContact CA-O 3.27Å; K150-R173 HydrophobicContact CB-CB 4.13Å; K150-R173 HydrophobicContact CG-CB 4.1Å; L151-R173 PolarHBondContact N-O 3.06Å; R171-R173 HydrophobicContact CG-CG 4.4Å; R173-E184 HydrophobicContact CB-CG 4.25Å; R173-E184 WeakPolarHBondContact CD-OE1 3.38Å; R173-E184 IonicContact NH1-OE1 3.13Å; R173-Q185 CarbonylContact C-O 3.56Å; R173-Q185 WeakPolarHBondContact CA-O 3.07Å |
| 174 | I | 91.9 | Very high | 82.5 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 144.2 | 175.7 | 68 | 172.1 | 0 | 0 | 0 | 110.5 | L151 L172 E184 Q185 L221 F222 L228 | L151-I174 CarbonylContact O-C 3.54Å; L151-I174 VanDerWaalsContact O-CA 3.26Å; L151-I174 WeakPolarHBondContact O-CA 3.47Å; L172-I174 HydrophobicContact CD1-CG2 4.32Å; L172-I174 HydrophobicContact CD2-CG2 4.17Å; L172-I174 HydrophobicContact CG-CG2 4.09Å; I174-E184 WeakPolarHBondContact O-CA 3.46Å; I174-Q185 HydrophobicContact CD1-CB 4.35Å; I174-Q185 HydrophobicContact CG1-CB 3.84Å; I174-Q185 HydrophobicContact CG1-CG 4.4Å; I174-Q185 PolarHBondContact N-O 3.09Å; I174-Q185 PolarHBondContact O-N 3.32Å; I174-L221 HydrophobicContact CD1-CD1 3.37Å; I174-L221 HydrophobicContact CG2-CD1 4.32Å; I174-F222 HydrophobicContact CB-CE1 3.8Å; I174-F222 HydrophobicContact CB-CZ 4.13Å; I174-F222 HydrophobicContact CG2-CE1 3.95Å; I174-F222 HydrophobicContact CG2-CZ 3.72Å; I174-L228 HydrophobicContact CD1-CD1 3.84Å; I174-L228 HydrophobicContact CD1-CD2 3.67Å; I174-L228 HydrophobicContact CD1-CG 3.59Å; I174-L228 HydrophobicContact CG1-CD1 3.77Å; I174-L228 HydrophobicContact CG1-CD2 4.47Å; I174-L228 HydrophobicContact CG1-CG 4.1Å; I174-L228 HydrophobicContact CG2-CD1 4.23Å |
| 175 | N | 89.3 | Confident | 82.5 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 8% | 0.075 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 145 | 168.9 | -170.5 | 12.6 | 0 | 0 | 0 | 110.2 | D98 L151 S152 L153 E177 | D98-N175 WeakPolarHBondContact OD2-CB 3.42Å; D98-N175 PolarHBondContact OD2-ND2 3.12Å; L151-N175 PolarHBondContact O-N 2.9Å; S152-N175 WeakPolarHBondContact CA-O 3.17Å; L153-N175 PolarHBondContact N-O 3.47Å; N175-E177 PolarHBondContact ND2-OE2 3.19Å; N175-E177 VanDerWaalsContact ND2-OE2 3.17Å; N175-E177 PolarHBondContact OD1-N 2.88Å |
| 176 | M | 85.5 | Confident | 82.6 | Confident | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.034 | 26% | 0.256 | C | S | . | . | trans | -119.6 | 42.6 | -178.6 | -68.2 | -176.8 | -81.2 | 0 | 0 | 111.4 | A178 K179 H180 F182 F222 R224 | M176-A178 PolarHBondContact O-N 3.34Å; M176-K179 PolarHBondContact O-N 3.48Å; M176-H180 PolarHBondContact O-N 3.38Å; M176-F182 HydrophobicContact CE-CD2 4.48Å; M176-F222 HydrophobicContact CG-CB 4.5Å; M176-F222 HydrophobicContact CG-CD1 4.02Å; M176-F222 HydrophobicContact SD-CB 4.48Å; M176-R224 WeakPolarHBondContact CE-O 3.48Å | ||
| 177 | E | 76.8 | Confident | 82.6 | Confident | 54 Ų | 54 | 49.2 Ų | 49.2 | 25% | 0.252 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.6 | -39.3 | -171.9 | -170.3 | 75.2 | -167.5 | 0 | 0 | 113.7 | R97 C99 N175 K179 | R97-E177 IonicContact CZ-OE1 3.86Å; R97-E177 IonicContact NE-OE1 2.71Å; R97-E177 PolarHBondContact NE-OE1 2.78Å; R97-E177 IonicContact NH2-OE1 2.73Å; R97-E177 PolarHBondContact NH2-OE1 3.06Å; C99-E177 HydrophobicContact CB-CG 4.31Å; N175-E177 PolarHBondContact ND2-OE2 3.19Å; N175-E177 VanDerWaalsContact ND2-OE2 3.17Å; N175-E177 PolarHBondContact OD1-N 2.88Å; E177-K179 PolarHBondContact O-N 3.25Å |
| 178 | A | 69.7 | Low | 82.7 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -17.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L153 C154 S155 M176 | L153-A178 PolarHBondContact O-N 2.8Å; C154-A178 VanDerWaalsContact C-CB 3.47Å; S155-A178 VanDerWaalsContact C-CB 3.42Å; S155-A178 WeakPolarHBondContact O-CB 3.05Å; M176-A178 PolarHBondContact O-N 3.34Å |
| 179 | K | 63.5 | Low | 82.6 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -49.1 | -179.2 | -74.9 | -176.4 | -178.6 | 164.9 | 0 | 111.9 | A156 N157 M176 E177 F222 N223 | A156-K179 WeakPolarHBondContact O-CE 3.03Å; N157-K179 WeakPolarHBondContact O-CE 3.47Å; N157-K179 PolarHBondContact O-NZ 3.04Å; M176-K179 PolarHBondContact O-N 3.48Å; E177-K179 PolarHBondContact O-N 3.25Å; K179-F222 PolarHBondContact NZ-O 3.3Å; K179-N223 PolarHBondContact NZ-OD1 3.29Å |
| 180 | H | 64.8 | Low | 81.8 | Confident | 105 Ų | 105 | 56.6 Ų | 56.6 | 49% | 0.486 | 30% | 0.295 | S | S | . | . | trans | -155.5 | 150.1 | 178 | -59.4 | 91.4 | 0 | 0 | 0 | 108.5 | M176 F182 | M176-H180 PolarHBondContact O-N 3.38Å; H180-F182 HydrophobicContact CB-CD2 3.54Å; H180-F182 HydrophobicContact CB-CE2 3.64Å; H180-F182 AromaticContact CG-CE2 3.89Å; H180-F182 AromaticContact ND1-CE2 3.95Å; H180-F182 PolarHBondContact O-N 3Å | ||
| 181 | P | 62.8 | Low | 80.1 | Confident | 128 Ų | 128 | 57.1 Ų | 57.1 | 83% | 0.831 | 31% | 0.306 | S | S | * | . | trans | -71.6 | 64.6 | 168.5 | 30.9 | -33.2 | 0 | 0 | 0 | 109.9 | ||||
| 182 | F | 65.6 | Low | 78.2 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 141.1 | 165.4 | -85.9 | -75.7 | 0 | 0 | 0 | 108.5 | M176 H180 E184 D225 | M176-F182 HydrophobicContact CE-CD2 4.48Å; H180-F182 HydrophobicContact CB-CD2 3.54Å; H180-F182 HydrophobicContact CB-CE2 3.64Å; H180-F182 AromaticContact CG-CE2 3.89Å; H180-F182 AromaticContact ND1-CE2 3.95Å; H180-F182 PolarHBondContact O-N 3Å; F182-E184 PolarHBondContact O-N 3.36Å; F182-D225 HydrophobicContact CE1-CB 4.13Å; F182-D225 HydrophobicContact CE2-CB 4.17Å; F182-D225 WeakPolarHBondContact CE2-OD1 3.38Å; F182-D225 HydrophobicContact CZ-CB 3.64Å; F182-D225 WeakPolarHBondContact CZ-OD1 3.23Å |
| 183 | P | 74.5 | Confident | 75.6 | Confident | 103 Ų | 103 | 60.5 Ų | 60.5 | 67% | 0.669 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 141 | 174.7 | 26 | -33 | 0 | 0 | 0 | 109.8 | Q185 | P183-Q185 PolarHBondContact O-N 3.4Š|
| 184 | E | 86.2 | Confident | 73.1 | Confident | 80 Ų | 80 | 64.7 Ų | 64.7 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -49.1 | 126.8 | 171.6 | 179.8 | -179.8 | 108.8 | 0 | 0 | 109.3 | K150 R173 I174 F182 | K150-E184 WeakPolarHBondContact CE-OE2 3.3Å; K150-E184 IonicContact NZ-OE2 3.34Å; K150-E184 PolarHBondContact NZ-OE2 3.09Å; R173-E184 HydrophobicContact CB-CG 4.25Å; R173-E184 WeakPolarHBondContact CD-OE1 3.38Å; R173-E184 IonicContact NH1-OE1 3.13Å; I174-E184 WeakPolarHBondContact O-CA 3.46Å; F182-E184 PolarHBondContact O-N 3.36Å |
| 185 | Q | 88.3 | Confident | 70.8 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 17% | 0.168 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 136.9 | 175.5 | -54.2 | -173.5 | 40.4 | 0 | 0 | 109.1 | R173 I174 P183 S226 S227 L228 | R173-Q185 CarbonylContact C-O 3.56Å; R173-Q185 WeakPolarHBondContact CA-O 3.07Å; I174-Q185 HydrophobicContact CD1-CB 4.35Å; I174-Q185 HydrophobicContact CG1-CB 3.84Å; I174-Q185 HydrophobicContact CG1-CG 4.4Å; I174-Q185 PolarHBondContact N-O 3.09Å; I174-Q185 PolarHBondContact O-N 3.32Å; P183-Q185 PolarHBondContact O-N 3.4Å; Q185-S226 PolarHBondContact NE2-O 3.04Å; Q185-S227 VanDerWaalsContact OE1-CA 3.27Å; Q185-L228 HydrophobicContact CB-CD1 3.97Å; Q185-L228 HydrophobicContact CB-CG 4.23Å |
| 186 | S | 91 | Very high | 68.4 | Low | 71 Ų | 71 | 75.8 Ų | 75.8 | 50% | 0.497 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.6 | 178.8 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | L172 | L172-S186 CarbonylContact O-C 3.57Å; L172-S186 WeakPolarHBondContact O-CA 3.26Å |
| 187 | L | 89.8 | Confident | 66.1 | Low | 24 Ų | 24 | 79.4 Ų | 79.4 | 13% | 0.126 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125.8 | 175.5 | 178.4 | 71 | 0 | 0 | 0 | 109.3 | R171 L172 I189 L228 I265 | R171-L187 WeakPolarHBondContact CA-O 3.49Å; L172-L187 PolarHBondContact N-O 3.46Å; L172-L187 PolarHBondContact O-N 2.94Å; L187-I189 HydrophobicContact CD2-CG1 4.15Å; L187-I189 HydrophobicContact CG-CG1 4.27Å; L187-L228 HydrophobicContact CB-CB 4.39Å; L187-L228 HydrophobicContact CB-CD1 3.98Å; L187-I265 HydrophobicContact CD2-CD1 4.4Å; L187-I265 HydrophobicContact CD2-CG1 4.27Å; L187-I265 HydrophobicContact CD2-CG2 3.82Å |
| 188 | L | 89.4 | Confident | 64.2 | Low | 93 Ų | 93 | 89 Ų | 89 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.6 | 171 | -173.3 | 73.5 | 0 | 0 | 0 | 108.3 | R171 | R171-L188 HydrophobicContact CB-CD1 4.37Å |
| 189 | I | 84.7 | Confident | 62.6 | Low | 24 Ų | 24 | 94.7 Ų | 94.7 | 12% | 0.123 | 53% | 0.534 | C | S | . | . | trans | -91.7 | -45.2 | -175.4 | -55.6 | 171.6 | 0 | 0 | 0 | 110.4 | L169 Q170 L187 T263 I265 | L169-I189 HydrophobicContact CB-CD1 4.15Å; L169-I189 HydrophobicContact CD2-CD1 3.73Å; L169-I189 HydrophobicContact CG-CD1 3.81Å; Q170-I189 PolarHBondContact O-N 3.03Å; L187-I189 HydrophobicContact CD2-CG1 4.15Å; L187-I189 HydrophobicContact CG-CG1 4.27Å; I189-T263 HydrophobicContact CD1-CG2 4.44Å; I189-T263 HydrophobicContact CG2-CG2 3.8Å; I189-I265 HydrophobicContact CD1-CD1 3.66Å | ||
| 190 | H | 72.5 | Confident | 61.2 | Low | 56 Ų | 56 | 101.6 Ų | 101.6 | 26% | 0.259 | 56% | 0.563 | S | S | . | * | trans | -130.7 | 127.1 | 178.3 | -66.7 | -68.6 | 0 | 0 | 0 | 109.7 | Y213 | H190-Y213 AromaticContact CD2-CD1 3.99Å; H190-Y213 AromaticContact CE1-CD1 3.83Å; H190-Y213 AromaticContact CE1-CE1 3.87Å; H190-Y213 AromaticContact NE2-CD1 3.36Å; H190-Y213 WeakPolarHBondContact NE2-CD1 3.28Å; H190-Y213 AromaticContact NE2-CE1 3.87Å | ||
| 191 | S | 57.1 | Low | 60 | Low | 80 Ų | 80 | 100.6 Ų | 100.6 | 56% | 0.559 | 57% | 0.566 | S | S | * | * | trans | -91.6 | 131.8 | 170.1 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | G193 | S191-G193 PolarHBondContact O-N 3.29Š| ||
| 192 | A | 51.3 | Low | 58.5 | Low | 97 Ų | 97 | 101.2 Ų | 101.2 | 80% | 0.802 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -1.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 193 | G | 40.4 | Very low | 57.5 | Low | 69 Ų | 69 | 106.7 Ų | 106.7 | 71% | 0.711 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -0.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | S191 | S191-G193 PolarHBondContact O-N 3.29Š|
| 194 | D | 40.8 | Very low | 55.5 | Low | 152 Ų | 152 | 108.6 Ų | 108.6 | 81% | 0.813 | 58% | 0.583 | S | S | * | * | trans | -103.5 | 18.7 | -173.9 | -138.9 | 10 | 0 | 0 | 0 | 113.7 | D196 | D194-D196 PolarHBondContact O-N 2.93Š| ||
| 195 | S | 43.4 | Very low | 53 | Low | 80 Ų | 80 | 110.8 Ų | 110.8 | 56% | 0.559 | 59% | 0.593 | S | S | * | * | trans | -89.4 | 78.3 | 173.1 | 71.4 | 0 | 0 | 0 | 0 | 110.5 | S197 | S195-S197 PolarHBondContact O-N 2.88Š| ||
| 196 | D | 37.5 | Very low | 50.5 | Low | 171 Ų | 171 | 120 Ų | 120 | 91% | 0.914 | 63% | 0.632 | S | S | * | * | trans | -76.2 | 4.2 | 162.9 | -123.2 | -5 | 0 | 0 | 0 | 111.9 | D194 | D194-D196 PolarHBondContact O-N 2.93Š| ||
| 197 | S | 38.8 | Very low | 47.9 | Very low | 84 Ų | 84 | 119.1 Ų | 119.1 | 59% | 0.587 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -94.3 | 128.3 | 168.3 | 59.3 | 0 | 0 | 0 | 0 | 110.6 | S195 E199 | S195-S197 PolarHBondContact O-N 2.88Å; S197-E199 PolarHBondContact O-N 3.18Å |
| 198 | R | 37.3 | Very low | 45.7 | Very low | 255 Ų | 255 | 127.3 Ų | 127.3 | 96% | 0.962 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -67.7 | 53.1 | 177.1 | -67.6 | -177.3 | 167.1 | -154.1 | -1 | 113.6 | ||
| 199 | E | 35.8 | Very low | 43.9 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 75% | 0.752 | 67% | 0.668 | S | S | * | * | trans | -133.8 | 87.8 | 164.9 | -76.2 | -169 | 163.9 | 0 | 0 | 108.9 | S197 P201 | S197-E199 PolarHBondContact O-N 3.18Å; E199-P201 WeakPolarHBondContact O-CD 3.03Å; E199-P201 VanDerWaalsContact O-N 3.1Å | ||
| 200 | K | 34 | Very low | 42.8 | Very low | 197 Ų | 197 | 128 Ų | 128 | 86% | 0.857 | 66% | 0.664 | S | S | * | * | trans | -53.1 | 114.5 | 158.4 | -138.5 | 175.9 | -171.7 | 176.6 | 0 | 105.6 | M202 | K200-M202 PolarHBondContact O-N 3.45Š| ||
| 201 | P | 39.5 | Very low | 42.9 | Very low | 84 Ų | 84 | 126.2 Ų | 126.2 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | trans | -60.1 | 119.8 | 177.9 | -17.2 | 29 | 0 | 0 | 0 | 106.1 | E199 W203 | E199-P201 WeakPolarHBondContact O-CD 3.03Å; E199-P201 VanDerWaalsContact O-N 3.1Å; P201-W203 VanDerWaalsContact C-N 3.26Å; P201-W203 PolarHBondContact O-N 2.98Å; P201-W203 PolarHBondContact O-NE1 3.07Å | ||
| 202 | M | 30.7 | Very low | 43.8 | Very low | 141 Ų | 141 | 124.8 Ų | 124.8 | 70% | 0.695 | 64% | 0.643 | S | S | * | * | trans | -70.8 | 89.4 | -177.1 | -157.9 | 153.9 | 108.7 | 0 | 0 | 107.1 | K200 L204 H205 | K200-M202 PolarHBondContact O-N 3.45Å; M202-L204 PolarHBondContact O-N 3.28Å; M202-H205 WeakPolarHBondContact CE-NE2 3.35Å | ||
| 203 | W | 43.8 | Very low | 45.4 | Very low | 183 Ų | 183 | 125.3 Ų | 125.3 | 69% | 0.693 | 63% | 0.625 | S | S | * | * | trans | -69.7 | 31 | -178.4 | -68.9 | 96.8 | 0 | 0 | 0 | 113.3 | P201 | P201-W203 VanDerWaalsContact C-N 3.26Å; P201-W203 PolarHBondContact O-N 2.98Å; P201-W203 PolarHBondContact O-NE1 3.07Å | ||
| 204 | L | 34.3 | Very low | 47.6 | Very low | 143 Ų | 143 | 122.1 Ų | 122.1 | 75% | 0.749 | 59% | 0.591 | S | S | * | * | trans | -142.7 | 53.2 | -164.9 | -108 | 164.2 | 0 | 0 | 0 | 111.8 | M202 | M202-L204 PolarHBondContact O-N 3.28Š| ||
| 205 | H | 32.3 | Very low | 49.9 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 58% | 0.583 | 55% | 0.553 | S | S | * | * | trans | -139.3 | 124.6 | 158.1 | -76.8 | -63.9 | 0 | 0 | 0 | 112.4 | M202 G207 | M202-H205 WeakPolarHBondContact CE-NE2 3.35Å; H205-G207 PolarHBondContact O-N 3.28Å | ||
| 206 | K | 36.3 | Very low | 52.2 | Low | 229 Ų | 229 | 111.1 Ų | 111.1 | 100% | 0.996 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -66.4 | 89.1 | 177.3 | -162.9 | 178.7 | -173.2 | -175.9 | 0 | 108.7 | ||
| 207 | G | 35.2 | Very low | 54.8 | Low | 52 Ų | 52 | 103 Ų | 103 | 54% | 0.536 | 48% | 0.483 | S | S | . | . | S | Bend | trans | 150 | 112.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | H205 Q209 | H205-G207 PolarHBondContact O-N 3.28Å; G207-Q209 PolarHBondContact O-N 2.82Å |
| 208 | W | 45 | Very low | 57.3 | Low | 196 Ų | 196 | 99.3 Ų | 99.3 | 74% | 0.742 | 46% | 0.457 | S | S | * | . | trans | 14.2 | 74.4 | 163.7 | -162 | -64.1 | 0 | 0 | 0 | 115.3 | P210 | W208-P210 VanDerWaalsContact O-CD 3.31Å; W208-P210 WeakPolarHBondContact O-CD 3.3Å | ||
| 209 | Q | 51.3 | Low | 59.8 | Low | 125 Ų | 125 | 87.4 Ų | 87.4 | 58% | 0.584 | 41% | 0.412 | S | S | * | . | trans | -79.6 | 103.9 | 159.9 | -72.6 | -68.9 | -15.2 | 0 | 0 | 105.2 | G207 C211 | G207-Q209 PolarHBondContact O-N 2.82Å; Q209-C211 PolarHBondContact O-N 3.17Å | ||
| 210 | P | 61 | Low | 62.3 | Low | 8 Ų | 8 | 79.9 Ų | 79.9 | 5% | 0.052 | 38% | 0.378 | C | S | . | . | trans | -71.5 | 132.5 | -160.7 | 27.4 | -29.8 | 0 | 0 | 0 | 108.8 | W208 M212 P255 K258 | W208-P210 VanDerWaalsContact O-CD 3.31Å; W208-P210 WeakPolarHBondContact O-CD 3.3Å; P210-M212 VanDerWaalsContact C-N 3.28Å; P210-M212 HydrophobicContact CG-CE 3.61Å; P210-M212 HydrophobicContact CG-SD 4.31Å; P210-M212 VanDerWaalsContact O-CG 3.28Å; P210-M212 WeakPolarHBondContact O-CG 3.46Å; P210-M212 PolarHBondContact O-N 2.79Å; P210-P255 HydrophobicContact CG-CG 4.4Å; P210-K258 HydrophobicContact CG-CD 4.33Å | ||
| 211 | C | 74.6 | Confident | 65 | Low | 17 Ų | 17 | 70.8 Ų | 70.8 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | trans | -7.7 | 72.7 | 152 | -170.7 | 0 | 0 | 0 | 0 | 116.1 | C167 Q209 Y213 I214 F252 Y260 | C167-C211 WeakPolarHBondContact CA-SG 3.28Å; C167-C211 HydrophobicContact CB-CB 3.69Å; C167-C211 WeakPolarHBondContact CB-SG 3.2Å; C167-C211 WeakPolarHBondContact SG-CB 3.44Å; C167-C211 CovalentContact SG-SG 2Å; C167-C211 PolarHBondContact SG-SG 2.83Å; Q209-C211 PolarHBondContact O-N 3.17Å; C211-Y213 VanDerWaalsContact C-N 3.31Å; C211-I214 VanDerWaalsContact SG-CG1 3.53Å; C211-F252 HydrophobicContact CB-CZ 4.27Å; C211-Y260 WeakPolarHBondContact O-CD1 3.4Å | ||
| 212 | M | 77.3 | Confident | 67.3 | Low | 51 Ų | 51 | 66.8 Ų | 66.8 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | trans | -75.4 | -28.5 | -179.5 | -63.5 | -55.4 | 175.2 | 0 | 0 | 111.3 | P210 K258 Y260 V261 | P210-M212 VanDerWaalsContact C-N 3.28Å; P210-M212 HydrophobicContact CG-CE 3.61Å; P210-M212 HydrophobicContact CG-SD 4.31Å; P210-M212 VanDerWaalsContact O-CG 3.28Å; P210-M212 WeakPolarHBondContact O-CG 3.46Å; P210-M212 PolarHBondContact O-N 2.79Å; M212-K258 HydrophobicContact CE-CD 3.37Å; M212-K258 HydrophobicContact SD-CB 4.3Å; M212-K258 HydrophobicContact SD-CD 4.16Å; M212-Y260 WeakPolarHBondContact O-CA 3.46Å; M212-Y260 HydrophobicContact SD-CD1 4.41Å; M212-Y260 HydrophobicContact SD-CE1 4.01Å; M212-V261 PolarHBondContact O-N 3.37Å | ||
| 213 | Y | 84.6 | Confident | 70 | Confident | 108 Ų | 108 | 62.6 Ų | 62.6 | 42% | 0.424 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 113.3 | 177.4 | -58.6 | -90.7 | 0 | 0 | 0 | 107.6 | C167 G168 H190 C211 V261 | C167-Y213 WeakPolarHBondContact CA-O 3.39Å; G168-Y213 PolarHBondContact N-O 2.93Å; H190-Y213 AromaticContact CD2-CD1 3.99Å; H190-Y213 AromaticContact CE1-CD1 3.83Å; H190-Y213 AromaticContact CE1-CE1 3.87Å; H190-Y213 AromaticContact NE2-CD1 3.36Å; H190-Y213 WeakPolarHBondContact NE2-CD1 3.28Å; H190-Y213 AromaticContact NE2-CE1 3.87Å; C211-Y213 VanDerWaalsContact C-N 3.31Å; Y213-V261 WeakPolarHBondContact CA-O 3.28Å; Y213-V261 HydrophobicContact CD1-CB 3.59Å; Y213-V261 HydrophobicContact CD1-CG1 4.03Å; Y213-V261 HydrophobicContact CD1-CG2 3.92Å; Y213-V261 HydrophobicContact CE1-CB 3.92Å; Y213-V261 HydrophobicContact CE1-CG1 4.37Å; Y213-V261 HydrophobicContact CE1-CG2 3.68Å; Y213-V261 HydrophobicContact CG-CB 4.46Å |
| 214 | I | 86.1 | Confident | 71.6 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124 | 179 | -54.6 | 174.5 | 0 | 0 | 0 | 108 | C211 F216 I239 M254 Y260 V261 V262 T263 | C211-I214 VanDerWaalsContact SG-CG1 3.53Å; I214-F216 HydrophobicContact CB-CE2 4.19Å; I214-F216 HydrophobicContact CG2-CD2 4.14Å; I214-F216 HydrophobicContact CG2-CE2 3.36Å; I214-F216 HydrophobicContact CG2-CZ 3.61Å; I214-I239 HydrophobicContact CD1-CD1 4.02Å; I214-M254 HydrophobicContact CD1-CE 3.68Å; I214-M254 HydrophobicContact CD1-SD 4.43Å; I214-Y260 HydrophobicContact CD1-CD1 4.33Å; I214-V261 PolarHBondContact N-O 3.48Å; I214-V262 CarbonylContact O-C 3.53Å; I214-V262 WeakPolarHBondContact O-CA 3.18Å; I214-T263 PolarHBondContact O-N 3.22Å |
| 215 | S | 89.8 | Confident | 73.5 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.7 | 174.2 | -66.1 | 0 | 0 | 0 | 0 | 110.6 | A165 I166 T263 | A165-S215 CarbonylContact C-O 3.59Å; A165-S215 WeakPolarHBondContact CA-O 3.34Å; I166-S215 PolarHBondContact N-O 3.39Å; I166-S215 PolarHBondContact O-N 2.96Å; S215-T263 CarbonylContact C-O 3.54Å; S215-T263 VanDerWaalsContact CA-O 3.31Å; S215-T263 WeakPolarHBondContact CA-O 3.31Å |
| 216 | F | 90.4 | Very high | 75.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 114.3 | 171.3 | -70.8 | -82.9 | 0 | 0 | 0 | 109.4 | Y163 L164 A165 I214 F249 V262 T263 F264 I265 | Y163-F216 HydrophobicContact CD1-CB 4.03Å; L164-F216 WeakPolarHBondContact O-CA 3.24Å; A165-F216 HydrophobicContact CB-CD1 4.2Å; A165-F216 HydrophobicContact CB-CE1 3.71Å; A165-F216 HydrophobicContact CB-CZ 4.21Å; I214-F216 HydrophobicContact CB-CE2 4.19Å; I214-F216 HydrophobicContact CG2-CD2 4.14Å; I214-F216 HydrophobicContact CG2-CE2 3.36Å; I214-F216 HydrophobicContact CG2-CZ 3.61Å; F216-F249 HydrophobicContact CD2-CE1 4.5Å; F216-F249 HydrophobicContact CD2-CZ 4.01Å; F216-F249 HydrophobicContact CE1-CE1 4.03Å; F216-F249 AromaticContact CE1-CZ 3.8Å; F216-F249 HydrophobicContact CE1-CZ 3.8Å; F216-F249 AromaticContact CE2-CE1 3.31Å; F216-F249 HydrophobicContact CE2-CE1 3.31Å; F216-F249 HydrophobicContact CE2-CE2 4.41Å; F216-F249 AromaticContact CE2-CZ 3.18Å; F216-F249 HydrophobicContact CE2-CZ 3.18Å; F216-F249 HydrophobicContact CZ-CD1 4.02Å; F216-F249 AromaticContact CZ-CE1 3.02Å; F216-F249 HydrophobicContact CZ-CE1 3.02Å; F216-F249 HydrophobicContact CZ-CE2 4.13Å; F216-F249 AromaticContact CZ-CZ 3.08Å; F216-F249 HydrophobicContact CZ-CZ 3.08Å; F216-V262 HydrophobicContact CD2-CG1 3.68Å; F216-V262 HydrophobicContact CE2-CG1 3.78Å; F216-T263 PolarHBondContact N-O 3.31Å; F216-F264 HydrophobicContact CB-CD1 3.85Å; F216-F264 HydrophobicContact CB-CE1 4.13Å; F216-F264 HydrophobicContact CD2-CE1 4.24Å; F216-F264 HydrophobicContact CG-CD1 4.45Å; F216-F264 HydrophobicContact CG-CE1 4.25Å; F216-I265 PolarHBondContact O-N 3.1Å |
| 217 | L | 92.8 | Very high | 78 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 116.5 | -179.5 | -175.3 | 66.8 | 0 | 0 | 0 | 110.2 | L151 Y163 L164 L172 M219 L221 F222 I265 | L151-L217 HydrophobicContact CD1-CD2 3.53Å; Y163-L217 VanDerWaalsContact CA-O 3.31Å; Y163-L217 WeakPolarHBondContact CA-O 3.43Å; L164-L217 HydrophobicContact CB-CB 4.3Å; L164-L217 PolarHBondContact N-O 2.86Å; L164-L217 PolarHBondContact O-N 3.15Å; L172-L217 HydrophobicContact CD2-CD1 3.49Å; L172-L217 VanDerWaalsContact CD2-CD1 3.49Å; L172-L217 HydrophobicContact CD2-CD2 4.37Å; L217-M219 HydrophobicContact CD2-SD 4.28Å; L217-M219 HydrophobicContact CG-SD 4.47Å; L217-M219 PolarHBondContact O-N 3.37Å; L217-L221 HydrophobicContact CD1-CD2 3.32Å; L217-L221 HydrophobicContact CG-CD2 3.94Å; L217-F222 HydrophobicContact CD2-CE2 4.48Å; L217-I265 HydrophobicContact CD1-CB 3.68Å; L217-I265 HydrophobicContact CD1-CD1 4.26Å; L217-I265 HydrophobicContact CD1-CG2 3.5Å |
| 218 | D | 91.1 | Very high | 80.6 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.043 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 109.4 | 172.9 | 180 | 3.1 | 0 | 0 | 0 | 110 | Y163 A220 L221 R224 I265 | Y163-D218 HydrophobicContact CD1-CB 4.26Å; Y163-D218 HydrophobicContact CE1-CB 3.76Å; D218-A220 PolarHBondContact O-N 3.15Å; D218-A220 VanDerWaalsContact O-N 3.15Å; D218-A220 VanDerWaalsContact OD1-CB 3.24Å; D218-A220 WeakPolarHBondContact OD1-CB 3.38Å; D218-A220 PolarHBondContact OD1-N 2.03Å; D218-L221 WeakPolarHBondContact O-CB 3.49Å; D218-L221 WeakPolarHBondContact O-CD2 3.33Å; D218-L221 WeakPolarHBondContact O-CG 3.42Å; D218-L221 PolarHBondContact O-N 3.03Å; D218-R224 IonicContact OD2-NH2 2.89Å; D218-I265 PolarHBondContact N-O 3.01Å |
| 219 | M | 90.3 | Very high | 82.8 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.02 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -64.6 | -19.9 | -179.4 | -62.2 | -51.2 | -57.2 | 0 | 0 | 113 | F131 T134 L137 L159 E162 L164 L217 L221 F222 | F131-M219 HydrophobicContact CE2-CE 3.84Å; F131-M219 HydrophobicContact CZ-CE 3.9Å; T134-M219 HydrophobicContact CG2-CB 3.97Å; T134-M219 HydrophobicContact CG2-CE 4.05Å; T134-M219 HydrophobicContact CG2-CG 4.01Å; L137-M219 HydrophobicContact CD2-CE 3.56Å; L137-M219 HydrophobicContact CD2-SD 4.3Å; L159-M219 HydrophobicContact CD1-CE 3.99Å; E162-M219 WeakPolarHBondContact O-CB 3.49Å; E162-M219 VanDerWaalsContact O-CG 3.31Å; E162-M219 WeakPolarHBondContact O-CG 3.43Å; E162-M219 PolarHBondContact O-N 3.04Å; L164-M219 HydrophobicContact CB-SD 3.89Å; L217-M219 HydrophobicContact CD2-SD 4.28Å; L217-M219 HydrophobicContact CG-SD 4.47Å; L217-M219 PolarHBondContact O-N 3.37Å; M219-L221 PolarHBondContact O-N 3.47Å; M219-F222 HydrophobicContact CE-CD2 3.98Å; M219-F222 HydrophobicContact CE-CE2 3.77Å; M219-F222 PolarHBondContact O-N 3.36Å |
| 220 | A | 88.6 | Confident | 84.7 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.033 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -68 | -11.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T161 D218 F222 N223 | T161-A220 HydrophobicContact CG2-CB 4.35Å; D218-A220 PolarHBondContact O-N 3.15Å; D218-A220 VanDerWaalsContact O-N 3.15Å; D218-A220 VanDerWaalsContact OD1-CB 3.24Å; D218-A220 WeakPolarHBondContact OD1-CB 3.38Å; D218-A220 PolarHBondContact OD1-N 2.03Å; A220-F222 PolarHBondContact O-N 3.05Å; A220-N223 WeakPolarHBondContact O-CB 3.28Å; A220-N223 PolarHBondContact O-N 3.35Å |
| 221 | L | 89.3 | Confident | 86 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -60.5 | -30.5 | 175.1 | 72.8 | 84.6 | 0 | 0 | 0 | 112.4 | I174 L217 D218 M219 N223 R224 L228 | I174-L221 HydrophobicContact CD1-CD1 3.37Å; I174-L221 HydrophobicContact CG2-CD1 4.32Å; L217-L221 HydrophobicContact CD1-CD2 3.32Å; L217-L221 HydrophobicContact CG-CD2 3.94Å; D218-L221 WeakPolarHBondContact O-CB 3.49Å; D218-L221 WeakPolarHBondContact O-CD2 3.33Å; D218-L221 WeakPolarHBondContact O-CG 3.42Å; D218-L221 PolarHBondContact O-N 3.03Å; M219-L221 PolarHBondContact O-N 3.47Å; L221-N223 PolarHBondContact O-N 2.88Å; L221-N223 VanDerWaalsContact O-N 3.15Å; L221-R224 PolarHBondContact O-N 3.34Å; L221-R224 VanDerWaalsContact O-N 3.1Å; L221-L228 HydrophobicContact CD1-CD2 4.2Å; L221-L228 HydrophobicContact CD2-CD2 3.97Å |
| 222 | F | 88.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -75.7 | 1.1 | 177.7 | -64 | -91.3 | 0 | 0 | 0 | 113.1 | F131 L151 L153 L159 I174 M176 K179 L217 M219 A220 | F131-F222 HydrophobicContact CE1-CE1 4.12Å; F131-F222 HydrophobicContact CE1-CZ 4.09Å; F131-F222 HydrophobicContact CZ-CD1 4.25Å; F131-F222 HydrophobicContact CZ-CD2 4.18Å; F131-F222 HydrophobicContact CZ-CE1 4.05Å; F131-F222 AromaticContact CZ-CE2 4Å; F131-F222 HydrophobicContact CZ-CE2 4Å; F131-F222 HydrophobicContact CZ-CG 4.32Å; F131-F222 AromaticContact CZ-CZ 3.94Å; F131-F222 HydrophobicContact CZ-CZ 3.94Å; L151-F222 HydrophobicContact CB-CE1 4.23Å; L151-F222 HydrophobicContact CB-CZ 3.76Å; L151-F222 HydrophobicContact CD1-CZ 4.05Å; L153-F222 HydrophobicContact CB-CD1 3.93Å; L153-F222 HydrophobicContact CD2-CB 3.83Å; L159-F222 HydrophobicContact CD1-CB 3.74Å; L159-F222 HydrophobicContact CD1-CD2 3.94Å; L159-F222 HydrophobicContact CD1-CG 4.06Å; L159-F222 HydrophobicContact CG-CB 4.44Å; I174-F222 HydrophobicContact CB-CE1 3.8Å; I174-F222 HydrophobicContact CB-CZ 4.13Å; I174-F222 HydrophobicContact CG2-CE1 3.95Å; I174-F222 HydrophobicContact CG2-CZ 3.72Å; M176-F222 HydrophobicContact CG-CB 4.5Å; M176-F222 HydrophobicContact CG-CD1 4.02Å; M176-F222 HydrophobicContact SD-CB 4.48Å; K179-F222 PolarHBondContact NZ-O 3.3Å; L217-F222 HydrophobicContact CD2-CE2 4.48Å; M219-F222 HydrophobicContact CE-CD2 3.98Å; M219-F222 HydrophobicContact CE-CE2 3.77Å; M219-F222 PolarHBondContact O-N 3.36Å; A220-F222 PolarHBondContact O-N 3.05Å |
| 223 | N | 86.6 | Confident | 86.9 | Confident | 53 Ų | 53 | 43.4 Ų | 43.4 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -101.4 | -6.1 | 171.8 | -57.8 | -40.3 | 0 | 0 | 0 | 112.7 | T158 L159 K179 A220 L221 | T158-N223 VanDerWaalsContact CA-OD1 3.25Å; T158-N223 WeakPolarHBondContact CA-OD1 3.49Å; L159-N223 PolarHBondContact N-ND2 2.93Å; L159-N223 PolarHBondContact N-OD1 2.61Å; L159-N223 PolarHBondContact O-ND2 3.07Å; K179-N223 PolarHBondContact NZ-OD1 3.29Å; A220-N223 WeakPolarHBondContact O-CB 3.28Å; A220-N223 PolarHBondContact O-N 3.35Å; L221-N223 PolarHBondContact O-N 2.88Å; L221-N223 VanDerWaalsContact O-N 3.15Å |
| 224 | R | 78.1 | Confident | 86.8 | Confident | 107 Ų | 107 | 45.3 Ų | 45.3 | 40% | 0.404 | 23% | 0.234 | S | C | . | . | trans | -119 | 149.6 | -169.2 | -59.6 | 177.4 | -173.8 | 163.7 | 9.1 | 109.6 | M176 D218 L221 S226 | M176-R224 WeakPolarHBondContact CE-O 3.48Å; D218-R224 IonicContact OD2-NH2 2.89Å; L221-R224 PolarHBondContact O-N 3.34Å; L221-R224 VanDerWaalsContact O-N 3.1Å; R224-S226 WeakPolarHBondContact CB-OG 3.31Å; R224-S226 PolarHBondContact O-N 2.83Å | ||
| 225 | D | 75.3 | Confident | 86.1 | Confident | 106 Ų | 106 | 50.6 Ų | 50.6 | 57% | 0.567 | 26% | 0.262 | S | S | * | . | trans | -90.8 | 17.4 | 173.7 | -52.6 | -32.3 | 0 | 0 | 0 | 111.7 | F182 | F182-D225 HydrophobicContact CE1-CB 4.13Å; F182-D225 HydrophobicContact CE2-CB 4.17Å; F182-D225 WeakPolarHBondContact CE2-OD1 3.38Å; F182-D225 HydrophobicContact CZ-CB 3.64Å; F182-D225 WeakPolarHBondContact CZ-OD1 3.23Å | ||
| 226 | S | 77.3 | Confident | 85.1 | Confident | 50 Ų | 50 | 51 Ų | 51 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -78 | 149.7 | 179.7 | 50 | 0 | 0 | 0 | 0 | 111.6 | Q185 R224 | Q185-S226 PolarHBondContact NE2-O 3.04Å; R224-S226 WeakPolarHBondContact CB-OG 3.31Å; R224-S226 PolarHBondContact O-N 2.83Å |
| 227 | S | 84.3 | Confident | 83.8 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 140.3 | 172.4 | 68.8 | 0 | 0 | 0 | 0 | 110.7 | Q185 K229 | Q185-S227 VanDerWaalsContact OE1-CA 3.27Å; S227-K229 PolarHBondContact O-N 3.31Å |
| 228 | L | 90.1 | Very high | 82.2 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 130.5 | 171.5 | -82.8 | -179.9 | 0 | 0 | 0 | 111.4 | L172 I174 Q185 L187 L221 I265 | L172-L228 HydrophobicContact CD2-CD1 4.48Å; I174-L228 HydrophobicContact CD1-CD1 3.84Å; I174-L228 HydrophobicContact CD1-CD2 3.67Å; I174-L228 HydrophobicContact CD1-CG 3.59Å; I174-L228 HydrophobicContact CG1-CD1 3.77Å; I174-L228 HydrophobicContact CG1-CD2 4.47Å; I174-L228 HydrophobicContact CG1-CG 4.1Å; I174-L228 HydrophobicContact CG2-CD1 4.23Å; Q185-L228 HydrophobicContact CB-CD1 3.97Å; Q185-L228 HydrophobicContact CB-CG 4.23Å; L187-L228 HydrophobicContact CB-CB 4.39Å; L187-L228 HydrophobicContact CB-CD1 3.98Å; L221-L228 HydrophobicContact CD1-CD2 4.2Å; L221-L228 HydrophobicContact CD2-CD2 3.97Å; L228-I265 HydrophobicContact CD2-CG2 4.03Å |
| 229 | K | 90.8 | Very high | 80.6 | Confident | 107 Ų | 107 | 57 Ų | 57 | 47% | 0.465 | 30% | 0.303 | S | S | . | . | trans | -128.8 | 151.9 | 172.8 | -68.7 | 174.1 | -174 | 175.4 | 0 | 109.8 | S227 I265 Y266 | S227-K229 PolarHBondContact O-N 3.31Å; K229-I265 WeakPolarHBondContact O-CA 3.25Å; K229-Y266 HydrophobicContact CB-CD1 4.47Å; K229-Y266 HydrophobicContact CB-CD2 4.35Å; K229-Y266 HydrophobicContact CB-CE1 3.94Å; K229-Y266 HydrophobicContact CB-CE2 3.85Å; K229-Y266 HydrophobicContact CD-CE2 3.88Å; K229-Y266 HydrophobicContact CG-CE2 4.48Å; K229-Y266 PolarHBondContact N-O 2.75Å; K229-Y266 PolarHBondContact O-N 2.89Å | ||
| 230 | S | 91.6 | Very high | 78.9 | Confident | 43 Ų | 43 | 58.7 Ų | 58.7 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 153.5 | 169.9 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | F264 | S230-F264 WeakPolarHBondContact CA-O 3.33Å; S230-F264 WeakPolarHBondContact CB-O 3.49Å |
| 231 | Y | 89.1 | Confident | 77.4 | Confident | 107 Ų | 107 | 64.6 Ų | 64.6 | 42% | 0.42 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 147.4 | 163.4 | 68.4 | -88 | 0 | 0 | 0 | 109.3 | I233 T263 F264 Y266 | Y231-I233 HydrophobicContact CD2-CD1 4.44Å; Y231-I233 HydrophobicContact CD2-CG1 4.19Å; Y231-I233 HydrophobicContact CE2-CD1 3.93Å; Y231-I233 HydrophobicContact CE2-CG1 4.17Å; Y231-T263 CarbonylContact O-C 3.52Å; Y231-T263 VanDerWaalsContact O-CA 3.32Å; Y231-T263 WeakPolarHBondContact O-CA 3.4Å; Y231-F264 HydrophobicContact CD1-CB 4.07Å; Y231-F264 HydrophobicContact CD2-CD2 4.28Å; Y231-F264 HydrophobicContact CE1-CB 3.48Å; Y231-F264 VanDerWaalsContact CE1-CB 3.48Å; Y231-F264 HydrophobicContact CE1-CD2 4.25Å; Y231-F264 HydrophobicContact CE1-CG 4.09Å; Y231-F264 HydrophobicContact CE2-CB 4.16Å; Y231-F264 AromaticContact CE2-CD2 3.41Å; Y231-F264 HydrophobicContact CE2-CD2 3.41Å; Y231-F264 VanDerWaalsContact CE2-CD2 3.41Å; Y231-F264 HydrophobicContact CE2-CE2 4.14Å; Y231-F264 HydrophobicContact CE2-CG 4.1Å; Y231-F264 AromaticContact CZ-CD2 3.39Å; Y231-F264 AromaticContact CZ-CG 3.6Å; Y231-F264 PolarHBondContact N-O 2.93Å; Y231-F264 VanDerWaalsContact N-O 3.1Å; Y231-F264 PolarHBondContact O-N 3.44Å; Y231-F264 VanDerWaalsContact OH-CD2 3.26Å; Y231-F264 WeakPolarHBondContact OH-CD2 3.12Å; Y231-F264 WeakPolarHBondContact OH-CG 3.1Å; Y231-Y266 AromaticContact CD1-CE1 3.88Å; Y231-Y266 HydrophobicContact CD1-CE1 3.88Å; Y231-Y266 HydrophobicContact CE1-CE1 4.13Å |
| 232 | S | 86.6 | Confident | 75.8 | Confident | 54 Ų | 54 | 69.2 Ų | 69.2 | 38% | 0.378 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 141.2 | -179.6 | -62.6 | 0 | 0 | 0 | 0 | 110.1 | V262 T263 | S232-V262 CarbonylContact C-O 3.49Å; S232-V262 WeakPolarHBondContact CA-O 3.38Å; S232-T263 PolarHBondContact OG-OG1 2.85Å |
| 233 | I | 82.9 | Confident | 74.5 | Confident | 62 Ų | 62 | 70.9 Ų | 70.9 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122.5 | 172.9 | -57.9 | 169.6 | 0 | 0 | 0 | 106.9 | Y231 V236 F243 V261 V262 F264 | Y231-I233 HydrophobicContact CD2-CD1 4.44Å; Y231-I233 HydrophobicContact CD2-CG1 4.19Å; Y231-I233 HydrophobicContact CE2-CD1 3.93Å; Y231-I233 HydrophobicContact CE2-CG1 4.17Å; I233-V236 HydrophobicContact CB-CG2 4.2Å; I233-V236 HydrophobicContact CG2-CG2 3.66Å; I233-F243 HydrophobicContact CD1-CZ 3.76Å; I233-V261 CarbonylContact O-C 3.57Å; I233-V261 WeakPolarHBondContact O-CA 3.01Å; I233-V262 PolarHBondContact N-O 2.74Å; I233-V262 PolarHBondContact O-N 3.01Å; I233-F264 HydrophobicContact CD1-CE2 4.3Å |
| 234 | E | 82.9 | Confident | 73 | Confident | 148 Ų | 148 | 72.3 Ų | 72.3 | 69% | 0.692 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 159.5 | 178.7 | -60.8 | -176.7 | 175.5 | 0 | 0 | 111.6 | V236 V261 | E234-V236 PolarHBondContact O-N 3.23Å; E234-V261 HydrophobicContact CB-CG2 4.48Å; E234-V261 HydrophobicContact CG-CG1 4.37Å; E234-V261 HydrophobicContact CG-CG2 4.18Å |
| 235 | N | 72.2 | Confident | 71.8 | Confident | 111 Ų | 111 | 73.5 Ų | 73.5 | 59% | 0.594 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 57.1 | 41.3 | 172.1 | -159.3 | 14.1 | 0 | 0 | 0 | 115.2 | T237 S259 Y260 | N235-T237 PolarHBondContact O-N 3.17Å; N235-S259 WeakPolarHBondContact OD1-CB 3.43Å; N235-Y260 PolarHBondContact N-O 2.92Å |
| 236 | V | 69.1 | Low | 71 | Confident | 9 Ų | 9 | 70.3 Ų | 70.3 | 6% | 0.055 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 110.4 | 175.1 | -167 | 0 | 0 | 0 | 0 | 109.2 | I233 E234 I239 Y260 V262 | I233-V236 HydrophobicContact CB-CG2 4.2Å; I233-V236 HydrophobicContact CG2-CG2 3.66Å; E234-V236 PolarHBondContact O-N 3.23Å; V236-I239 HydrophobicContact CB-CG1 4.05Å; V236-I239 HydrophobicContact CG1-CB 4.05Å; V236-I239 HydrophobicContact CG1-CG1 3.55Å; V236-I239 HydrophobicContact CG1-CG2 4.3Å; V236-Y260 PolarHBondContact N-O 3.35Å; V236-Y260 WeakPolarHBondContact O-CD2 3.35Å; V236-Y260 PolarHBondContact O-N 3.38Å; V236-V262 HydrophobicContact CB-CG2 4.19Å; V236-V262 HydrophobicContact CG2-CB 4.46Å; V236-V262 HydrophobicContact CG2-CG2 3.88Å |
| 237 | T | 62.2 | Low | 70 | Confident | 91 Ų | 91 | 71.7 Ų | 71.7 | 56% | 0.558 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -91.5 | -17.6 | -178.3 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | N235 | N235-T237 PolarHBondContact O-N 3.17Š|
| 238 | S | 59.8 | Low | 68.6 | Low | 38 Ų | 38 | 71.3 Ų | 71.3 | 27% | 0.266 | 39% | 0.386 | S | S | . | . | trans | -148.4 | 89.9 | 172.2 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | A240 N241 N242 | S238-A240 VanDerWaalsContact C-N 3.27Å; S238-A240 PolarHBondContact O-N 3.44Å; S238-N241 PolarHBondContact O-N 2.61Å; S238-N241 WeakPolarHBondContact OG-CB 3.49Å; S238-N241 PolarHBondContact OG-N 3.33Å; S238-N241 PolarHBondContact OG-ND2 3.09Å; S238-N242 PolarHBondContact O-N 3.09Å; S238-N242 PolarHBondContact O-ND2 3.34Å | ||
| 239 | I | 56.5 | Low | 67 | Low | 6 Ų | 6 | 71 Ų | 71 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.4 | -34.8 | -178.4 | -41.9 | 176.9 | 0 | 0 | 0 | 110.8 | I214 V236 N241 N242 F243 F249 M254 V262 | I214-I239 HydrophobicContact CD1-CD1 4.02Å; V236-I239 HydrophobicContact CB-CG1 4.05Å; V236-I239 HydrophobicContact CG1-CB 4.05Å; V236-I239 HydrophobicContact CG1-CG1 3.55Å; V236-I239 HydrophobicContact CG1-CG2 4.3Å; I239-N241 VanDerWaalsContact C-N 3.27Å; I239-N241 PolarHBondContact O-N 2.94Å; I239-N242 PolarHBondContact O-N 3.3Å; I239-F243 HydrophobicContact CG2-CB 4.44Å; I239-F243 HydrophobicContact CG2-CD2 3.35Å; I239-F243 HydrophobicContact CG2-CE2 3.94Å; I239-F243 HydrophobicContact CG2-CG 4.24Å; I239-F243 WeakPolarHBondContact O-CB 3.43Å; I239-F243 WeakPolarHBondContact O-CD2 3.48Å; I239-F243 PolarHBondContact O-N 3.04Å; I239-F249 HydrophobicContact CB-CD1 3.59Å; I239-F249 HydrophobicContact CB-CD2 4.4Å; I239-F249 HydrophobicContact CB-CE1 3.69Å; I239-F249 HydrophobicContact CB-CG 3.98Å; I239-F249 HydrophobicContact CB-CZ 4.18Å; I239-F249 HydrophobicContact CD1-CD1 3.93Å; I239-F249 HydrophobicContact CD1-CE1 3.6Å; I239-F249 HydrophobicContact CG1-CD1 4.35Å; I239-F249 HydrophobicContact CG1-CE1 4.25Å; I239-F249 HydrophobicContact CG2-CD1 3.53Å; I239-F249 HydrophobicContact CG2-CD2 3.82Å; I239-F249 HydrophobicContact CG2-CE1 3.16Å; I239-F249 HydrophobicContact CG2-CE2 3.52Å; I239-F249 HydrophobicContact CG2-CG 3.85Å; I239-F249 HydrophobicContact CG2-CZ 3.17Å; I239-M254 HydrophobicContact CD1-CE 3.07Å; I239-M254 HydrophobicContact CG1-CE 3.73Å; I239-V262 HydrophobicContact CD1-CG2 3.45Å; I239-V262 VanDerWaalsContact CD1-CG2 3.45Å; I239-V262 HydrophobicContact CG1-CG2 4Å; I239-V262 HydrophobicContact CG2-CG2 4.3Å |
| 240 | A | 56 | Low | 65.3 | Low | 39 Ų | 39 | 73.7 Ų | 73.7 | 32% | 0.322 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.6 | -32.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S238 F249 | S238-A240 VanDerWaalsContact C-N 3.27Å; S238-A240 PolarHBondContact O-N 3.44Å; A240-F249 HydrophobicContact CB-CB 4.14Å |
| 241 | N | 56.1 | Low | 63.4 | Low | 129 Ų | 129 | 76.8 Ų | 76.8 | 69% | 0.69 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -81.4 | -32.6 | 177.3 | -66.8 | -14.6 | 0 | 0 | 0 | 112.4 | S238 I239 | S238-N241 PolarHBondContact O-N 2.61Å; S238-N241 WeakPolarHBondContact OG-CB 3.49Å; S238-N241 PolarHBondContact OG-N 3.33Å; S238-N241 PolarHBondContact OG-ND2 3.09Å; I239-N241 VanDerWaalsContact C-N 3.27Å; I239-N241 PolarHBondContact O-N 2.94Å |
| 242 | N | 55.8 | Low | 61.8 | Low | 102 Ų | 102 | 72.7 Ų | 72.7 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -80.5 | -23.4 | 178.8 | -70.4 | -67.4 | 0 | 0 | 0 | 112.4 | S238 I239 | S238-N242 PolarHBondContact O-N 3.09Å; S238-N242 PolarHBondContact O-ND2 3.34Å; I239-N242 PolarHBondContact O-N 3.3Å |
| 243 | F | 61.6 | Low | 60.2 | Low | 35 Ų | 35 | 74.7 Ų | 74.7 | 15% | 0.154 | 41% | 0.409 | C | S | . | . | trans | -135.2 | 65.4 | -175.6 | -60.1 | -83.3 | 0 | 0 | 0 | 111.3 | I233 I239 D245 F246 F249 F264 | I233-F243 HydrophobicContact CD1-CZ 3.76Å; I239-F243 HydrophobicContact CG2-CB 4.44Å; I239-F243 HydrophobicContact CG2-CD2 3.35Å; I239-F243 HydrophobicContact CG2-CE2 3.94Å; I239-F243 HydrophobicContact CG2-CG 4.24Å; I239-F243 WeakPolarHBondContact O-CB 3.43Å; I239-F243 WeakPolarHBondContact O-CD2 3.48Å; I239-F243 PolarHBondContact O-N 3.04Å; F243-D245 PolarHBondContact O-N 3.38Å; F243-D245 VanDerWaalsContact O-N 3.16Å; F243-F246 HydrophobicContact CB-CB 4.29Å; F243-F246 HydrophobicContact CB-CD2 3.75Å; F243-F246 HydrophobicContact CB-CE2 4.49Å; F243-F246 HydrophobicContact CB-CG 4.35Å; F243-F246 HydrophobicContact CD1-CD2 4.24Å; F243-F246 HydrophobicContact CD1-CE2 4.14Å; F243-F246 HydrophobicContact CG-CD2 4.41Å; F243-F246 PolarHBondContact O-N 3.32Å; F243-F246 VanDerWaalsContact O-N 3.09Å; F243-F249 HydrophobicContact CB-CD2 3.95Å; F243-F249 HydrophobicContact CB-CE2 3.65Å; F243-F249 HydrophobicContact CD2-CE2 4.45Å; F243-F249 HydrophobicContact CG-CE2 4.19Å; F243-F264 AromaticContact CD1-CZ 3.79Å; F243-F264 HydrophobicContact CD1-CZ 3.79Å; F243-F264 HydrophobicContact CE1-CE1 4.43Å; F243-F264 AromaticContact CE1-CE2 3.73Å; F243-F264 HydrophobicContact CE1-CE2 3.73Å; F243-F264 AromaticContact CE1-CZ 3.42Å; F243-F264 HydrophobicContact CE1-CZ 3.42Å; F243-F264 VanDerWaalsContact CE1-CZ 3.42Å; F243-F264 HydrophobicContact CE2-CE2 4.38Å; F243-F264 HydrophobicContact CE2-CZ 4.28Å; F243-F264 HydrophobicContact CG-CZ 4.36Å; F243-F264 AromaticContact CZ-CE2 3.65Å; F243-F264 HydrophobicContact CZ-CE2 3.65Å; F243-F264 AromaticContact CZ-CZ 3.7Å; F243-F264 HydrophobicContact CZ-CZ 3.7Å | ||
| 244 | P | 54.1 | Low | 58.9 | Low | 83 Ų | 83 | 74.1 Ų | 74.1 | 54% | 0.539 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -24.2 | -172.6 | 25 | -34.9 | 0 | 0 | 0 | 114.1 | F246 | P244-F246 VanDerWaalsContact C-N 3.32Š|
| 245 | D | 54.2 | Low | 57.4 | Low | 131 Ų | 131 | 69.5 Ų | 69.5 | 70% | 0.701 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -11.7 | 179.8 | -65 | -36.5 | 0 | 0 | 0 | 113.4 | F243 S247 | F243-D245 PolarHBondContact O-N 3.38Å; F243-D245 VanDerWaalsContact O-N 3.16Å; D245-S247 PolarHBondContact O-N 3.39Å |
| 246 | F | 57.4 | Low | 56.5 | Low | 40 Ų | 40 | 68.2 Ų | 68.2 | 18% | 0.175 | 39% | 0.388 | C | S | . | . | trans | -93.4 | 90.4 | 179.7 | -75.6 | -97.9 | 0 | 0 | 0 | 109.8 | Y163 F243 P244 Y248 F249 F264 | Y163-F246 HydrophobicContact CD1-CE1 4.17Å; Y163-F246 HydrophobicContact CD2-CD1 4.33Å; Y163-F246 AromaticContact CD2-CE1 3.57Å; Y163-F246 HydrophobicContact CD2-CE1 3.57Å; Y163-F246 HydrophobicContact CD2-CZ 4.35Å; Y163-F246 HydrophobicContact CE1-CE1 4.23Å; Y163-F246 AromaticContact CE2-CE1 3.65Å; Y163-F246 HydrophobicContact CE2-CE1 3.65Å; Y163-F246 AromaticContact CE2-CZ 3.96Å; Y163-F246 HydrophobicContact CE2-CZ 3.96Å; Y163-F246 AromaticContact CG-CE1 3.83Å; Y163-F246 HydrophobicContact CG-CE1 3.83Å; Y163-F246 AromaticContact CZ-CE1 3.98Å; F243-F246 HydrophobicContact CB-CB 4.29Å; F243-F246 HydrophobicContact CB-CD2 3.75Å; F243-F246 HydrophobicContact CB-CE2 4.49Å; F243-F246 HydrophobicContact CB-CG 4.35Å; F243-F246 HydrophobicContact CD1-CD2 4.24Å; F243-F246 HydrophobicContact CD1-CE2 4.14Å; F243-F246 HydrophobicContact CG-CD2 4.41Å; F243-F246 PolarHBondContact O-N 3.32Å; F243-F246 VanDerWaalsContact O-N 3.09Å; P244-F246 VanDerWaalsContact C-N 3.32Å; F246-Y248 PolarHBondContact O-N 3.05Å; F246-F249 HydrophobicContact CB-CD2 3.28Å; F246-F249 HydrophobicContact CB-CE2 3.27Å; F246-F249 HydrophobicContact CB-CG 4.48Å; F246-F249 HydrophobicContact CB-CZ 4.48Å; F246-F249 HydrophobicContact CD1-CE2 4.26Å; F246-F249 HydrophobicContact CD2-CE2 4.36Å; F246-F249 HydrophobicContact CG-CD2 4.26Å; F246-F249 AromaticContact CG-CE2 3.75Å; F246-F249 HydrophobicContact CG-CE2 3.75Å; F246-F249 WeakPolarHBondContact O-CD2 3.48Å; F246-F249 PolarHBondContact O-N 3.39Å; F246-F264 HydrophobicContact CE1-CE1 4.07Å; F246-F264 HydrophobicContact CE2-CE1 4.31Å; F246-F264 HydrophobicContact CZ-CD1 4.49Å; F246-F264 AromaticContact CZ-CE1 3.77Å; F246-F264 HydrophobicContact CZ-CE1 3.77Å | ||
| 247 | S | 57.5 | Low | 55.8 | Low | 78 Ų | 78 | 76.2 Ų | 76.2 | 55% | 0.545 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -25.3 | 177.1 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | D245 F249 K250 | D245-S247 PolarHBondContact O-N 3.39Å; S247-F249 PolarHBondContact O-N 3.31Å; S247-K250 WeakPolarHBondContact O-CB 3.01Å; S247-K250 PolarHBondContact O-N 3.12Å |
| 248 | Y | 55.2 | Low | 55.9 | Low | 63 Ų | 63 | 75.6 Ų | 75.6 | 25% | 0.247 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57.7 | -28.7 | 174.6 | -76.3 | -77.7 | 0 | 0 | 0 | 114.2 | F143 Y163 F246 K250 T251 | F143-Y248 HydrophobicContact CE2-CD1 4.42Å; F143-Y248 HydrophobicContact CZ-CD1 4.4Å; Y163-Y248 WeakPolarHBondContact O-CE2 3.31Å; Y163-Y248 PolarHBondContact O-OH 2.91Å; F246-Y248 PolarHBondContact O-N 3.05Å; Y248-K250 VanDerWaalsContact C-N 3.29Å; Y248-K250 PolarHBondContact O-N 3.34Å; Y248-T251 PolarHBondContact O-OG1 2.74Å; Y248-T251 VanDerWaalsContact O-OG1 3.12Å |
| 249 | F | 54.7 | Low | 56.4 | Low | 15 Ų | 15 | 77 Ų | 77 | 7% | 0.066 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -78.1 | -14.5 | 177.1 | -61.9 | -61.8 | 0 | 0 | 0 | 113.6 | F216 I239 A240 F243 F246 S247 | F216-F249 HydrophobicContact CD2-CE1 4.5Å; F216-F249 HydrophobicContact CD2-CZ 4.01Å; F216-F249 HydrophobicContact CE1-CE1 4.03Å; F216-F249 AromaticContact CE1-CZ 3.8Å; F216-F249 HydrophobicContact CE1-CZ 3.8Å; F216-F249 AromaticContact CE2-CE1 3.31Å; F216-F249 HydrophobicContact CE2-CE1 3.31Å; F216-F249 HydrophobicContact CE2-CE2 4.41Å; F216-F249 AromaticContact CE2-CZ 3.18Å; F216-F249 HydrophobicContact CE2-CZ 3.18Å; F216-F249 HydrophobicContact CZ-CD1 4.02Å; F216-F249 AromaticContact CZ-CE1 3.02Å; F216-F249 HydrophobicContact CZ-CE1 3.02Å; F216-F249 HydrophobicContact CZ-CE2 4.13Å; F216-F249 AromaticContact CZ-CZ 3.08Å; F216-F249 HydrophobicContact CZ-CZ 3.08Å; I239-F249 HydrophobicContact CB-CD1 3.59Å; I239-F249 HydrophobicContact CB-CD2 4.4Å; I239-F249 HydrophobicContact CB-CE1 3.69Å; I239-F249 HydrophobicContact CB-CG 3.98Å; I239-F249 HydrophobicContact CB-CZ 4.18Å; I239-F249 HydrophobicContact CD1-CD1 3.93Å; I239-F249 HydrophobicContact CD1-CE1 3.6Å; I239-F249 HydrophobicContact CG1-CD1 4.35Å; I239-F249 HydrophobicContact CG1-CE1 4.25Å; I239-F249 HydrophobicContact CG2-CD1 3.53Å; I239-F249 HydrophobicContact CG2-CD2 3.82Å; I239-F249 HydrophobicContact CG2-CE1 3.16Å; I239-F249 HydrophobicContact CG2-CE2 3.52Å; I239-F249 HydrophobicContact CG2-CG 3.85Å; I239-F249 HydrophobicContact CG2-CZ 3.17Å; A240-F249 HydrophobicContact CB-CB 4.14Å; F243-F249 HydrophobicContact CB-CD2 3.95Å; F243-F249 HydrophobicContact CB-CE2 3.65Å; F243-F249 HydrophobicContact CD2-CE2 4.45Å; F243-F249 HydrophobicContact CG-CE2 4.19Å; F246-F249 HydrophobicContact CB-CD2 3.28Å; F246-F249 HydrophobicContact CB-CE2 3.27Å; F246-F249 HydrophobicContact CB-CG 4.48Å; F246-F249 HydrophobicContact CB-CZ 4.48Å; F246-F249 HydrophobicContact CD1-CE2 4.26Å; F246-F249 HydrophobicContact CD2-CE2 4.36Å; F246-F249 HydrophobicContact CG-CD2 4.26Å; F246-F249 AromaticContact CG-CE2 3.75Å; F246-F249 HydrophobicContact CG-CE2 3.75Å; F246-F249 WeakPolarHBondContact O-CD2 3.48Å; F246-F249 PolarHBondContact O-N 3.39Å; S247-F249 PolarHBondContact O-N 3.31Å |
| 250 | K | 55.3 | Low | 57.3 | Low | 164 Ų | 164 | 76.8 Ų | 76.8 | 71% | 0.713 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -83.1 | -27.8 | 176.8 | -62 | -177.1 | -179.7 | 177.9 | 0 | 112 | S247 Y248 | S247-K250 WeakPolarHBondContact O-CB 3.01Å; S247-K250 PolarHBondContact O-N 3.12Å; Y248-K250 VanDerWaalsContact C-N 3.29Å; Y248-K250 PolarHBondContact O-N 3.34Å |
| 251 | T | 52 | Low | 58.6 | Low | 107 Ų | 107 | 75.8 Ų | 75.8 | 66% | 0.656 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -87.5 | -17.3 | 179.9 | 35.2 | 0 | 0 | 0 | 0 | 113.5 | Y248 P253 | Y248-T251 PolarHBondContact O-OG1 2.74Å; Y248-T251 VanDerWaalsContact O-OG1 3.12Å; T251-P253 WeakPolarHBondContact O-CD 3.48Å |
| 252 | F | 56.3 | Low | 60 | Low | 22 Ų | 22 | 69.7 Ų | 69.7 | 10% | 0.096 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -85.4 | 120.2 | 174.9 | -162.2 | -98.1 | 0 | 0 | 0 | 110.3 | F143 C211 M254 | F143-F252 HydrophobicContact CB-CD2 4.29Å; F143-F252 HydrophobicContact CB-CE2 4.05Å; F143-F252 AromaticContact CD1-CD2 3.28Å; F143-F252 HydrophobicContact CD1-CD2 3.28Å; F143-F252 AromaticContact CD1-CE2 3.58Å; F143-F252 HydrophobicContact CD1-CE2 3.58Å; F143-F252 HydrophobicContact CD1-CG 4.19Å; F143-F252 HydrophobicContact CD2-CD2 4.2Å; F143-F252 HydrophobicContact CE1-CB 4.04Å; F143-F252 AromaticContact CE1-CD2 3.49Å; F143-F252 HydrophobicContact CE1-CD2 3.49Å; F143-F252 VanDerWaalsContact CE1-CD2 3.49Å; F143-F252 HydrophobicContact CE1-CE2 4.21Å; F143-F252 AromaticContact CE1-CG 3.98Å; F143-F252 HydrophobicContact CE1-CG 3.98Å; F143-F252 HydrophobicContact CE2-CD2 4.37Å; F143-F252 AromaticContact CG-CD2 3.66Å; F143-F252 HydrophobicContact CG-CD2 3.66Å; F143-F252 AromaticContact CG-CE2 3.9Å; F143-F252 HydrophobicContact CG-CE2 3.9Å; F143-F252 HydrophobicContact CZ-CB 4.08Å; F143-F252 HydrophobicContact CZ-CD2 4.03Å; F143-F252 HydrophobicContact CZ-CG 4.44Å; C211-F252 HydrophobicContact CB-CZ 4.27Å; F252-M254 HydrophobicContact CD1-CB 4.14Å; F252-M254 HydrophobicContact CD1-CE 4.35Å; F252-M254 HydrophobicContact CD1-CG 4.48Å; F252-M254 HydrophobicContact CD1-SD 3.43Å; F252-M254 WeakPolarHBondContact CD1-SD 3.43Å; F252-M254 HydrophobicContact CE1-SD 3.45Å; F252-M254 WeakPolarHBondContact CE1-SD 3.41Å; F252-M254 PolarHBondContact O-N 3.49Å |
| 253 | P | 51.8 | Low | 61.6 | Low | 96 Ų | 96 | 64.9 Ų | 64.9 | 62% | 0.623 | 35% | 0.354 | S | S | * | . | trans | -71.5 | 85.8 | 171.1 | 29.5 | -31.2 | 0 | 0 | 0 | 107.9 | T251 P255 | T251-P253 WeakPolarHBondContact O-CD 3.48Å; P253-P255 WeakPolarHBondContact O-CD 3.33Å | ||
| 254 | M | 56 | Low | 62.9 | Low | 49 Ų | 49 | 63.6 Ų | 63.6 | 24% | 0.241 | 35% | 0.348 | C | S | . | . | trans | -78.3 | 120 | 178.6 | -158.8 | 77 | 104.6 | 0 | 0 | 109.4 | I214 I239 F252 S256 Y260 | I214-M254 HydrophobicContact CD1-CE 3.68Å; I214-M254 HydrophobicContact CD1-SD 4.43Å; I239-M254 HydrophobicContact CD1-CE 3.07Å; I239-M254 HydrophobicContact CG1-CE 3.73Å; F252-M254 HydrophobicContact CD1-CB 4.14Å; F252-M254 HydrophobicContact CD1-CE 4.35Å; F252-M254 HydrophobicContact CD1-CG 4.48Å; F252-M254 HydrophobicContact CD1-SD 3.43Å; F252-M254 WeakPolarHBondContact CD1-SD 3.43Å; F252-M254 HydrophobicContact CE1-SD 3.45Å; F252-M254 WeakPolarHBondContact CE1-SD 3.41Å; F252-M254 PolarHBondContact O-N 3.49Å; M254-S256 PolarHBondContact O-N 3.04Å; M254-S256 VanDerWaalsContact O-N 3.07Å; M254-Y260 HydrophobicContact CE-CD1 3.88Å; M254-Y260 HydrophobicContact CE-CD2 3.78Å; M254-Y260 HydrophobicContact CE-CE1 4.03Å; M254-Y260 HydrophobicContact CE-CE2 3.94Å; M254-Y260 HydrophobicContact CE-CG 3.77Å; M254-Y260 HydrophobicContact CG-CD2 4.02Å; M254-Y260 HydrophobicContact CG-CE1 4.29Å; M254-Y260 HydrophobicContact CG-CE2 3.32Å; M254-Y260 VanDerWaalsContact CG-CZ 3.49Å; M254-Y260 HydrophobicContact SD-CD1 3.82Å; M254-Y260 HydrophobicContact SD-CD2 3.94Å; M254-Y260 HydrophobicContact SD-CE1 3.33Å; M254-Y260 WeakPolarHBondContact SD-CE1 3.04Å; M254-Y260 HydrophobicContact SD-CE2 3.47Å; M254-Y260 WeakPolarHBondContact SD-CE2 3.37Å; M254-Y260 HydrophobicContact SD-CG 4.11Å; M254-Y260 PolarHBondContact SD-OH 2.9Å | ||
| 255 | P | 51.4 | Low | 64.7 | Low | 52 Ų | 52 | 59.7 Ų | 59.7 | 34% | 0.338 | 32% | 0.323 | S | S | . | . | trans | -61.1 | 115.3 | 168.5 | 8 | -13.3 | 0 | 0 | 0 | 110 | P210 P253 H257 K258 Y260 | P210-P255 HydrophobicContact CG-CG 4.4Å; P253-P255 WeakPolarHBondContact O-CD 3.33Å; P255-H257 PolarHBondContact O-N 3.01Å; P255-K258 PolarHBondContact O-N 3.46Å; P255-Y260 WeakPolarHBondContact CD-OH 3.5Å; P255-Y260 VanDerWaalsContact CG-OH 3.24Å; P255-Y260 WeakPolarHBondContact CG-OH 3.34Å | ||
| 256 | S | 52.7 | Low | 66.4 | Low | 84 Ų | 84 | 58 Ų | 58 | 59% | 0.587 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -2 | -173.8 | 49.7 | 0 | 0 | 0 | 0 | 116.1 | M254 | M254-S256 PolarHBondContact O-N 3.04Å; M254-S256 VanDerWaalsContact O-N 3.07Å |
| 257 | H | 54.6 | Low | 66.8 | Low | 176 Ų | 176 | 58.9 Ų | 58.9 | 82% | 0.815 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 8.4 | -171.7 | -61.2 | -68.6 | 0 | 0 | 0 | 113.7 | P255 | P255-H257 PolarHBondContact O-N 3.01Š|
| 258 | K | 64.3 | Low | 67.3 | Low | 79 Ų | 79 | 57.9 Ų | 57.9 | 34% | 0.343 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -117.5 | 143.8 | -179.6 | -61 | -162.1 | -179.4 | -175.7 | 0 | 111.5 | P210 M212 P255 Y260 | P210-K258 HydrophobicContact CG-CD 4.33Å; M212-K258 HydrophobicContact CE-CD 3.37Å; M212-K258 HydrophobicContact SD-CB 4.3Å; M212-K258 HydrophobicContact SD-CD 4.16Å; P255-K258 PolarHBondContact O-N 3.46Å; K258-Y260 HydrophobicContact CB-CE2 4.03Å; K258-Y260 WeakPolarHBondContact O-CD2 3.36Å; K258-Y260 WeakPolarHBondContact O-CE2 3.44Å |
| 259 | S | 70.3 | Confident | 68 | Low | 68 Ų | 68 | 57.6 Ų | 57.6 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | trans | -82 | 125.5 | 175.1 | 53.8 | 0 | 0 | 0 | 0 | 110 | N235 | N235-S259 WeakPolarHBondContact OD1-CB 3.43Š| ||
| 260 | Y | 76.3 | Confident | 68.8 | Low | 1 Ų | 1 | 60.1 Ų | 60.1 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 149 | 177.9 | -63.4 | -88.3 | 0 | 0 | 0 | 111.6 | C211 M212 I214 N235 V236 M254 P255 K258 | C211-Y260 WeakPolarHBondContact O-CD1 3.4Å; M212-Y260 WeakPolarHBondContact O-CA 3.46Å; M212-Y260 HydrophobicContact SD-CD1 4.41Å; M212-Y260 HydrophobicContact SD-CE1 4.01Å; I214-Y260 HydrophobicContact CD1-CD1 4.33Å; N235-Y260 PolarHBondContact N-O 2.92Å; V236-Y260 PolarHBondContact N-O 3.35Å; V236-Y260 WeakPolarHBondContact O-CD2 3.35Å; V236-Y260 PolarHBondContact O-N 3.38Å; M254-Y260 HydrophobicContact CE-CD1 3.88Å; M254-Y260 HydrophobicContact CE-CD2 3.78Å; M254-Y260 HydrophobicContact CE-CE1 4.03Å; M254-Y260 HydrophobicContact CE-CE2 3.94Å; M254-Y260 HydrophobicContact CE-CG 3.77Å; M254-Y260 HydrophobicContact CG-CD2 4.02Å; M254-Y260 HydrophobicContact CG-CE1 4.29Å; M254-Y260 HydrophobicContact CG-CE2 3.32Å; M254-Y260 VanDerWaalsContact CG-CZ 3.49Å; M254-Y260 HydrophobicContact SD-CD1 3.82Å; M254-Y260 HydrophobicContact SD-CD2 3.94Å; M254-Y260 HydrophobicContact SD-CE1 3.33Å; M254-Y260 WeakPolarHBondContact SD-CE1 3.04Å; M254-Y260 HydrophobicContact SD-CE2 3.47Å; M254-Y260 WeakPolarHBondContact SD-CE2 3.37Å; M254-Y260 HydrophobicContact SD-CG 4.11Å; M254-Y260 PolarHBondContact SD-OH 2.9Å; P255-Y260 WeakPolarHBondContact CD-OH 3.5Å; P255-Y260 VanDerWaalsContact CG-OH 3.24Å; P255-Y260 WeakPolarHBondContact CG-OH 3.34Å; K258-Y260 HydrophobicContact CB-CE2 4.03Å; K258-Y260 WeakPolarHBondContact O-CD2 3.36Å; K258-Y260 WeakPolarHBondContact O-CE2 3.44Å |
| 261 | V | 82.9 | Confident | 69.6 | Low | 18 Ų | 18 | 53.6 Ų | 53.6 | 11% | 0.109 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.6 | 165 | -177.4 | 0 | 0 | 0 | 0 | 107.9 | M212 Y213 I214 I233 E234 | M212-V261 PolarHBondContact O-N 3.37Å; Y213-V261 WeakPolarHBondContact CA-O 3.28Å; Y213-V261 HydrophobicContact CD1-CB 3.59Å; Y213-V261 HydrophobicContact CD1-CG1 4.03Å; Y213-V261 HydrophobicContact CD1-CG2 3.92Å; Y213-V261 HydrophobicContact CE1-CB 3.92Å; Y213-V261 HydrophobicContact CE1-CG1 4.37Å; Y213-V261 HydrophobicContact CE1-CG2 3.68Å; Y213-V261 HydrophobicContact CG-CB 4.46Å; I214-V261 PolarHBondContact N-O 3.48Å; I233-V261 CarbonylContact O-C 3.57Å; I233-V261 WeakPolarHBondContact O-CA 3.01Å; E234-V261 HydrophobicContact CB-CG2 4.48Å; E234-V261 HydrophobicContact CG-CG1 4.37Å; E234-V261 HydrophobicContact CG-CG2 4.18Å |
| 262 | V | 85.3 | Confident | 70.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.5 | 180 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | I214 F216 S232 I233 V236 I239 F264 | I214-V262 CarbonylContact O-C 3.53Å; I214-V262 WeakPolarHBondContact O-CA 3.18Å; F216-V262 HydrophobicContact CD2-CG1 3.68Å; F216-V262 HydrophobicContact CE2-CG1 3.78Å; S232-V262 CarbonylContact C-O 3.49Å; S232-V262 WeakPolarHBondContact CA-O 3.38Å; I233-V262 PolarHBondContact N-O 2.74Å; I233-V262 PolarHBondContact O-N 3.01Å; V236-V262 HydrophobicContact CB-CG2 4.19Å; V236-V262 HydrophobicContact CG2-CB 4.46Å; V236-V262 HydrophobicContact CG2-CG2 3.88Å; I239-V262 HydrophobicContact CD1-CG2 3.45Å; I239-V262 VanDerWaalsContact CD1-CG2 3.45Å; I239-V262 HydrophobicContact CG1-CG2 4Å; I239-V262 HydrophobicContact CG2-CG2 4.3Å; V262-F264 HydrophobicContact CB-CE2 4.5Å; V262-F264 HydrophobicContact CG1-CD2 4.17Å; V262-F264 HydrophobicContact CG1-CE2 3.57Å; V262-F264 HydrophobicContact CG1-CZ 3.9Å |
| 263 | T | 89.3 | Confident | 71.8 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.5 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 109.4 | I189 I214 S215 F216 Y231 S232 I265 | I189-T263 HydrophobicContact CD1-CG2 4.44Å; I189-T263 HydrophobicContact CG2-CG2 3.8Å; I214-T263 PolarHBondContact O-N 3.22Å; S215-T263 CarbonylContact C-O 3.54Å; S215-T263 VanDerWaalsContact CA-O 3.31Å; S215-T263 WeakPolarHBondContact CA-O 3.31Å; F216-T263 PolarHBondContact N-O 3.31Å; Y231-T263 CarbonylContact O-C 3.52Å; Y231-T263 VanDerWaalsContact O-CA 3.32Å; Y231-T263 WeakPolarHBondContact O-CA 3.4Å; S232-T263 PolarHBondContact OG-OG1 2.85Å; T263-I265 HydrophobicContact CG2-CG1 4.03Å |
| 264 | F | 89.9 | Confident | 73.3 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.4 | 169.6 | -67.4 | -91.1 | 0 | 0 | 0 | 109.2 | F216 S230 Y231 I233 F243 F246 V262 | F216-F264 HydrophobicContact CB-CD1 3.85Å; F216-F264 HydrophobicContact CB-CE1 4.13Å; F216-F264 HydrophobicContact CD2-CE1 4.24Å; F216-F264 HydrophobicContact CG-CD1 4.45Å; F216-F264 HydrophobicContact CG-CE1 4.25Å; S230-F264 WeakPolarHBondContact CA-O 3.33Å; S230-F264 WeakPolarHBondContact CB-O 3.49Å; Y231-F264 HydrophobicContact CD1-CB 4.07Å; Y231-F264 HydrophobicContact CD2-CD2 4.28Å; Y231-F264 HydrophobicContact CE1-CB 3.48Å; Y231-F264 VanDerWaalsContact CE1-CB 3.48Å; Y231-F264 HydrophobicContact CE1-CD2 4.25Å; Y231-F264 HydrophobicContact CE1-CG 4.09Å; Y231-F264 HydrophobicContact CE2-CB 4.16Å; Y231-F264 AromaticContact CE2-CD2 3.41Å; Y231-F264 HydrophobicContact CE2-CD2 3.41Å; Y231-F264 VanDerWaalsContact CE2-CD2 3.41Å; Y231-F264 HydrophobicContact CE2-CE2 4.14Å; Y231-F264 HydrophobicContact CE2-CG 4.1Å; Y231-F264 AromaticContact CZ-CD2 3.39Å; Y231-F264 AromaticContact CZ-CG 3.6Å; Y231-F264 PolarHBondContact N-O 2.93Å; Y231-F264 VanDerWaalsContact N-O 3.1Å; Y231-F264 PolarHBondContact O-N 3.44Å; Y231-F264 VanDerWaalsContact OH-CD2 3.26Å; Y231-F264 WeakPolarHBondContact OH-CD2 3.12Å; Y231-F264 WeakPolarHBondContact OH-CG 3.1Å; I233-F264 HydrophobicContact CD1-CE2 4.3Å; F243-F264 AromaticContact CD1-CZ 3.79Å; F243-F264 HydrophobicContact CD1-CZ 3.79Å; F243-F264 HydrophobicContact CE1-CE1 4.43Å; F243-F264 AromaticContact CE1-CE2 3.73Å; F243-F264 HydrophobicContact CE1-CE2 3.73Å; F243-F264 AromaticContact CE1-CZ 3.42Å; F243-F264 HydrophobicContact CE1-CZ 3.42Å; F243-F264 VanDerWaalsContact CE1-CZ 3.42Å; F243-F264 HydrophobicContact CE2-CE2 4.38Å; F243-F264 HydrophobicContact CE2-CZ 4.28Å; F243-F264 HydrophobicContact CG-CZ 4.36Å; F243-F264 AromaticContact CZ-CE2 3.65Å; F243-F264 HydrophobicContact CZ-CE2 3.65Å; F243-F264 AromaticContact CZ-CZ 3.7Å; F243-F264 HydrophobicContact CZ-CZ 3.7Å; F246-F264 HydrophobicContact CE1-CE1 4.07Å; F246-F264 HydrophobicContact CE2-CE1 4.31Å; F246-F264 HydrophobicContact CZ-CD1 4.49Å; F246-F264 AromaticContact CZ-CE1 3.77Å; F246-F264 HydrophobicContact CZ-CE1 3.77Å; V262-F264 HydrophobicContact CB-CE2 4.5Å; V262-F264 HydrophobicContact CG1-CD2 4.17Å; V262-F264 HydrophobicContact CG1-CE2 3.57Å; V262-F264 HydrophobicContact CG1-CZ 3.9Å |
| 265 | I | 92.3 | Very high | 74.8 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.6 | -176.8 | -51.2 | 171.5 | 0 | 0 | 0 | 108.6 | L169 L172 L187 I189 F216 L217 D218 L228 K229 T263 | L169-I265 HydrophobicContact CD2-CD1 3.96Å; L172-I265 HydrophobicContact CD2-CD1 4.05Å; L172-I265 HydrophobicContact CD2-CG2 3.93Å; L187-I265 HydrophobicContact CD2-CD1 4.4Å; L187-I265 HydrophobicContact CD2-CG1 4.27Å; L187-I265 HydrophobicContact CD2-CG2 3.82Å; I189-I265 HydrophobicContact CD1-CD1 3.66Å; F216-I265 PolarHBondContact O-N 3.1Å; L217-I265 HydrophobicContact CD1-CB 3.68Å; L217-I265 HydrophobicContact CD1-CD1 4.26Å; L217-I265 HydrophobicContact CD1-CG2 3.5Å; D218-I265 PolarHBondContact N-O 3.01Å; L228-I265 HydrophobicContact CD2-CG2 4.03Å; K229-I265 WeakPolarHBondContact O-CA 3.25Å; T263-I265 HydrophobicContact CG2-CG1 4.03Å |
| 266 | Y | 88.1 | Confident | 76.9 | Confident | 96 Ų | 96 | 48.4 Ų | 48.4 | 38% | 0.376 | 25% | 0.251 | S | S | . | . | trans | -152.5 | 0 | -173 | 65.3 | -84.1 | 0 | 0 | 0 | 113.4 | K229 Y231 | K229-Y266 HydrophobicContact CB-CD1 4.47Å; K229-Y266 HydrophobicContact CB-CD2 4.35Å; K229-Y266 HydrophobicContact CB-CE1 3.94Å; K229-Y266 HydrophobicContact CB-CE2 3.85Å; K229-Y266 HydrophobicContact CD-CE2 3.88Å; K229-Y266 HydrophobicContact CG-CE2 4.48Å; K229-Y266 PolarHBondContact N-O 2.75Å; K229-Y266 PolarHBondContact O-N 2.89Å; Y231-Y266 AromaticContact CD1-CE1 3.88Å; Y231-Y266 HydrophobicContact CD1-CE1 3.88Å; Y231-Y266 HydrophobicContact CE1-CE1 4.13Å |
Retrieved 266 of 266 residues in 55.7 ms
(Link to these results)