| 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 | R | 53.8 | Low | 50.8 | Low | 284 Ų | 284 | 156.1 Ų | 156.1 | 100% | 1.072 | 71% | 0.709 | S | S | * | * | 0 | -21.2 | 0 | -124.7 | 170.6 | -176.5 | 172.5 | -0.3 | 114.4 | |||||
| 2 | S | 52.3 | Low | 51.5 | Low | 102 Ų | 102 | 149.6 Ų | 149.6 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -84.3 | -24.6 | -177.2 | -160 | 0 | 0 | 0 | 0 | 116.3 | ||
| 3 | Y | 47.6 | Very low | 51.8 | Low | 212 Ų | 212 | 145.1 Ų | 145.1 | 83% | 0.831 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -80.1 | -26 | -178.3 | -98 | -98.5 | 0 | 0 | 0 | 114.4 | ||
| 4 | Y | 45.1 | Very low | 52.3 | Low | 177 Ų | 177 | 139.6 Ų | 139.6 | 69% | 0.694 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76.7 | -34.4 | -177.6 | -155.3 | -95.1 | 0 | 0 | 0 | 112.3 | R8 | Y4-R8 PolarHBondContact O-N 2.86Å |
| 5 | N | 44 | Very low | 52.7 | Low | 111 Ų | 111 | 137.6 Ų | 137.6 | 59% | 0.594 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71.9 | -30 | 178.7 | -77.3 | -12.5 | 0 | 0 | 0 | 113.2 | R8 S9 | N5-R8 PolarHBondContact O-N 2.9Å; N5-S9 PolarHBondContact O-N 2.97Å; N5-S9 VanDerWaalsContact O-N 3.1Å |
| 6 | R | 47.3 | Very low | 53.1 | Low | 206 Ų | 206 | 135.1 Ų | 135.1 | 78% | 0.777 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.7 | -37.9 | 179.9 | -143.7 | 177.3 | -159.2 | 178.6 | 5.2 | 112.4 | A10 | R6-A10 PolarHBondContact O-N 3.39Å; R6-A10 VanDerWaalsContact O-N 3.17Å |
| 7 | K | 48 | Very low | 53.4 | Low | 172 Ų | 172 | 133.9 Ų | 133.9 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.6 | -38.1 | 174.5 | -83 | -171 | 174 | -175.2 | 0 | 112.5 | A10 M11 | K7-A10 PolarHBondContact O-N 2.72Å; K7-M11 PolarHBondContact O-N 3.11Å; K7-M11 VanDerWaalsContact O-N 3.11Å |
| 8 | R | 50.9 | Low | 53.6 | Low | 173 Ų | 173 | 132.2 Ų | 132.2 | 65% | 0.653 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.6 | -43 | 176.6 | -120.9 | -179.7 | -179.2 | -171.9 | -0.4 | 112.1 | Y4 N5 M11 V12 | Y4-R8 PolarHBondContact O-N 2.86Å; N5-R8 PolarHBondContact O-N 2.9Å; R8-M11 PolarHBondContact O-N 2.87Å; R8-V12 VanDerWaalsContact O-CG2 3.27Å; R8-V12 WeakPolarHBondContact O-CG2 3.48Å; R8-V12 PolarHBondContact O-N 2.82Å; R8-V12 VanDerWaalsContact O-N 3.09Å |
| 9 | S | 53 | Low | 53.7 | Low | 66 Ų | 66 | 130.4 Ų | 130.4 | 46% | 0.462 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.2 | -39.4 | 177.2 | 176.3 | 0 | 0 | 0 | 0 | 112.7 | N5 V12 N13 | N5-S9 PolarHBondContact O-N 2.97Å; N5-S9 VanDerWaalsContact O-N 3.1Å; S9-V12 PolarHBondContact O-N 3.07Å; S9-N13 WeakPolarHBondContact O-CB 3.42Å; S9-N13 PolarHBondContact O-N 2.99Å |
| 10 | A | 57.9 | Low | 53.8 | Low | 61 Ų | 61 | 126.4 Ų | 126.4 | 50% | 0.504 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.2 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R6 K7 S14 | R6-A10 PolarHBondContact O-N 3.39Å; R6-A10 VanDerWaalsContact O-N 3.17Å; K7-A10 PolarHBondContact O-N 2.72Å; A10-S14 WeakPolarHBondContact O-CB 3.27Å; A10-S14 PolarHBondContact O-N 2.8Å |
| 11 | M | 59.1 | Low | 53.6 | Low | 153 Ų | 153 | 129.8 Ų | 129.8 | 75% | 0.754 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.6 | -42 | 176.5 | -122.3 | -173.5 | -156.9 | 0 | 0 | 112.1 | K7 R8 S14 L15 | K7-M11 PolarHBondContact O-N 3.11Å; K7-M11 VanDerWaalsContact O-N 3.11Å; R8-M11 PolarHBondContact O-N 2.87Å; M11-S14 PolarHBondContact O-N 3.5Å; M11-L15 WeakPolarHBondContact O-CB 3.44Å; M11-L15 PolarHBondContact O-N 3.03Å |
| 12 | V | 59.3 | Low | 53.4 | Low | 78 Ų | 78 | 120.5 Ų | 120.5 | 47% | 0.473 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.6 | -42.4 | 179.3 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | R8 S9 S14 L15 I16 | R8-V12 VanDerWaalsContact O-CG2 3.27Å; R8-V12 WeakPolarHBondContact O-CG2 3.48Å; R8-V12 PolarHBondContact O-N 2.82Å; R8-V12 VanDerWaalsContact O-N 3.09Å; S9-V12 PolarHBondContact O-N 3.07Å; V12-S14 VanDerWaalsContact C-N 3.35Å; V12-S14 PolarHBondContact O-N 3.17Å; V12-L15 PolarHBondContact O-N 3.4Å; V12-I16 HydrophobicContact CG1-CD1 3.76Å; V12-I16 HydrophobicContact CG1-CG1 4.45Å; V12-I16 VanDerWaalsContact O-CG1 3.25Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.1Å |
| 13 | N | 55.8 | Low | 53.2 | Low | 91 Ų | 91 | 122.9 Ų | 122.9 | 49% | 0.487 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.6 | -37 | 176.4 | -75.3 | -3.5 | 0 | 0 | 0 | 112.4 | S9 I16 L17 | S9-N13 WeakPolarHBondContact O-CB 3.42Å; S9-N13 PolarHBondContact O-N 2.99Å; N13-I16 PolarHBondContact O-N 3.48Å; N13-L17 WeakPolarHBondContact O-CB 3.47Å; N13-L17 WeakPolarHBondContact O-CD1 3.48Å; N13-L17 WeakPolarHBondContact O-CG 3.45Å; N13-L17 PolarHBondContact O-N 3.11Å |
| 14 | S | 58.3 | Low | 53.2 | Low | 68 Ų | 68 | 119.2 Ų | 119.2 | 48% | 0.476 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.1 | -35.3 | 175.5 | -162.5 | 0 | 0 | 0 | 0 | 112.3 | A10 M11 V12 L18 | A10-S14 WeakPolarHBondContact O-CB 3.27Å; A10-S14 PolarHBondContact O-N 2.8Å; M11-S14 PolarHBondContact O-N 3.5Å; V12-S14 VanDerWaalsContact C-N 3.35Å; V12-S14 PolarHBondContact O-N 3.17Å; S14-L18 WeakPolarHBondContact O-CD1 3.1Å; S14-L18 WeakPolarHBondContact O-CG 3.45Å; S14-L18 PolarHBondContact O-N 3.09Å; S14-L18 VanDerWaalsContact O-N 3.12Å |
| 15 | L | 58.1 | Low | 53.3 | Low | 110 Ų | 110 | 115.5 Ų | 115.5 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.5 | -38.8 | 176.9 | -158.2 | 76.2 | 0 | 0 | 0 | 111.6 | M11 V12 L18 L19 | M11-L15 WeakPolarHBondContact O-CB 3.44Å; M11-L15 PolarHBondContact O-N 3.03Å; V12-L15 PolarHBondContact O-N 3.4Å; L15-L18 PolarHBondContact O-N 3.42Å; L15-L19 HydrophobicContact CG-CD1 4.2Å; L15-L19 WeakPolarHBondContact O-CB 3.45Å; L15-L19 WeakPolarHBondContact O-CD1 3.25Å; L15-L19 PolarHBondContact O-N 3.49Å |
| 16 | I | 59.8 | Low | 53.5 | Low | 98 Ų | 98 | 112.9 Ų | 112.9 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.1 | -41.3 | 175.2 | -67.5 | 166.1 | 0 | 0 | 0 | 110.9 | V12 N13 L19 S20 | V12-I16 HydrophobicContact CG1-CD1 3.76Å; V12-I16 HydrophobicContact CG1-CG1 4.45Å; V12-I16 VanDerWaalsContact O-CG1 3.25Å; V12-I16 WeakPolarHBondContact O-CG1 3.43Å; V12-I16 PolarHBondContact O-N 3.1Å; N13-I16 PolarHBondContact O-N 3.48Å; I16-L19 PolarHBondContact O-N 3.47Å; I16-S20 WeakPolarHBondContact O-CB 3.46Å; I16-S20 PolarHBondContact O-N 3.41Å; I16-S20 PolarHBondContact O-OG 3.04Å |
| 17 | L | 57.5 | Low | 53.6 | Low | 115 Ų | 115 | 109.5 Ų | 109.5 | 60% | 0.602 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64 | -41.4 | 175.8 | -81 | 159.4 | 0 | 0 | 0 | 112 | N13 S20 W21 | N13-L17 WeakPolarHBondContact O-CB 3.47Å; N13-L17 WeakPolarHBondContact O-CD1 3.48Å; N13-L17 WeakPolarHBondContact O-CG 3.45Å; N13-L17 PolarHBondContact O-N 3.11Å; L17-S20 WeakPolarHBondContact CA-OG 3.36Å; L17-S20 PolarHBondContact O-N 3.14Å; L17-S20 PolarHBondContact O-OG 3.01Å; L17-W21 PolarHBondContact O-N 2.89Å |
| 18 | L | 57.3 | Low | 53.6 | Low | 102 Ų | 102 | 106.1 Ų | 106.1 | 53% | 0.534 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.4 | -42.6 | 176.4 | -78.1 | 160.9 | 0 | 0 | 0 | 112.4 | S14 L15 S20 W21 T22 | S14-L18 WeakPolarHBondContact O-CD1 3.1Å; S14-L18 WeakPolarHBondContact O-CG 3.45Å; S14-L18 PolarHBondContact O-N 3.09Å; S14-L18 VanDerWaalsContact O-N 3.12Å; L15-L18 PolarHBondContact O-N 3.42Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3.31Å; L18-W21 PolarHBondContact O-N 3.42Å; L18-T22 PolarHBondContact O-N 2.96Å; L18-T22 VanDerWaalsContact O-N 3.16Å; L18-T22 PolarHBondContact O-OG1 3.46Å |
| 19 | L | 55 | Low | 53.3 | Low | 99 Ų | 99 | 108.8 Ų | 108.8 | 52% | 0.518 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.8 | -35.6 | 174.6 | -82.2 | 154.6 | 0 | 0 | 0 | 112.2 | L15 I16 T22 M23 | L15-L19 HydrophobicContact CG-CD1 4.2Å; L15-L19 WeakPolarHBondContact O-CB 3.45Å; L15-L19 WeakPolarHBondContact O-CD1 3.25Å; L15-L19 PolarHBondContact O-N 3.49Å; I16-L19 PolarHBondContact O-N 3.47Å; L19-T22 WeakPolarHBondContact CA-OG1 3.43Å; L19-T22 PolarHBondContact O-N 3.03Å; L19-T22 PolarHBondContact O-OG1 2.72Å; L19-M23 WeakPolarHBondContact O-CG 3.42Å; L19-M23 PolarHBondContact O-N 3.47Å |
| 20 | S | 55.1 | Low | 53 | Low | 50 Ų | 50 | 109.5 Ų | 109.5 | 35% | 0.35 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68 | -34.8 | 175.5 | 74.3 | 0 | 0 | 0 | 0 | 112.8 | I16 L17 L18 M23 I24 | I16-S20 WeakPolarHBondContact O-CB 3.46Å; I16-S20 PolarHBondContact O-N 3.41Å; I16-S20 PolarHBondContact O-OG 3.04Å; L17-S20 WeakPolarHBondContact CA-OG 3.36Å; L17-S20 PolarHBondContact O-N 3.14Å; L17-S20 PolarHBondContact O-OG 3.01Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3.31Å; S20-M23 PolarHBondContact O-N 2.96Å; S20-I24 WeakPolarHBondContact O-CD1 3.36Å; S20-I24 WeakPolarHBondContact O-CG1 3.39Å; S20-I24 PolarHBondContact O-N 3.27Å |
| 21 | W | 49.5 | Very low | 52.3 | Low | 198 Ų | 198 | 113.9 Ų | 113.9 | 75% | 0.75 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.5 | -34.3 | 176.5 | -104.5 | -5.1 | 0 | 0 | 0 | 112.8 | L17 L18 M23 I24 S25 | L17-W21 PolarHBondContact O-N 2.89Å; L18-W21 PolarHBondContact O-N 3.42Å; W21-M23 VanDerWaalsContact C-N 3.27Å; W21-M23 PolarHBondContact O-N 3.4Å; W21-I24 PolarHBondContact O-N 3.12Å; W21-S25 PolarHBondContact O-N 3.4Å; W21-S25 PolarHBondContact O-OG 3.45Å |
| 22 | T | 51.5 | Low | 51.8 | Low | 89 Ų | 89 | 113.3 Ų | 113.3 | 55% | 0.546 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.3 | -25.5 | 174.5 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | L18 L19 S25 | L18-T22 PolarHBondContact O-N 2.96Å; L18-T22 VanDerWaalsContact O-N 3.16Å; L18-T22 PolarHBondContact O-OG1 3.46Å; L19-T22 WeakPolarHBondContact CA-OG1 3.43Å; L19-T22 PolarHBondContact O-N 3.03Å; L19-T22 PolarHBondContact O-OG1 2.72Å; T22-S25 PolarHBondContact O-OG 3.48Å |
| 23 | M | 46.6 | Very low | 51.2 | Low | 152 Ų | 152 | 114.9 Ų | 114.9 | 75% | 0.749 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -83.7 | -22.1 | 178.4 | -73.7 | -66.4 | -173.5 | 0 | 0 | 113.5 | L19 S20 W21 | L19-M23 WeakPolarHBondContact O-CG 3.42Å; L19-M23 PolarHBondContact O-N 3.47Å; S20-M23 PolarHBondContact O-N 2.96Å; W21-M23 VanDerWaalsContact C-N 3.27Å; W21-M23 PolarHBondContact O-N 3.4Å |
| 24 | I | 48.6 | Very low | 51.4 | Low | 134 Ų | 134 | 116.4 Ų | 116.4 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -88.2 | -23.7 | 179.3 | -62.7 | 165.9 | 0 | 0 | 0 | 111.6 | S20 W21 G26 | S20-I24 WeakPolarHBondContact O-CD1 3.36Å; S20-I24 WeakPolarHBondContact O-CG1 3.39Å; S20-I24 PolarHBondContact O-N 3.27Å; W21-I24 PolarHBondContact O-N 3.12Å; I24-G26 VanDerWaalsContact C-N 3.27Å; I24-G26 PolarHBondContact O-N 3.35Å |
| 25 | S | 46.3 | Very low | 51.3 | Low | 100 Ų | 100 | 121.1 Ų | 121.1 | 70% | 0.699 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -2.2 | 175.3 | 51 | 0 | 0 | 0 | 0 | 114.8 | W21 T22 | W21-S25 PolarHBondContact O-N 3.4Å; W21-S25 PolarHBondContact O-OG 3.45Å; T22-S25 PolarHBondContact O-OG 3.48Å |
| 26 | G | 48.7 | Very low | 51.2 | Low | 56 Ų | 56 | 121.2 Ų | 121.2 | 58% | 0.577 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -9.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | I24 | I24-G26 VanDerWaalsContact C-N 3.27Å; I24-G26 PolarHBondContact O-N 3.35Å |
| 27 | V | 48.6 | Very low | 51.2 | Low | 135 Ų | 135 | 123.5 Ų | 123.5 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | trans | -137.5 | 66.4 | -175.5 | -167.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 28 | A | 49.7 | Very low | 51 | Low | 101 Ų | 101 | 123.3 Ų | 123.3 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | trans | -129.2 | 51.6 | 153 | 0 | 0 | 0 | 0 | 0 | 108.4 | A30 | A28-A30 PolarHBondContact O-N 3.35Å; A28-A30 VanDerWaalsContact O-N 3.14Å | ||
| 29 | R | 44 | Very low | 50.6 | Low | 229 Ų | 229 | 124.4 Ų | 124.4 | 86% | 0.864 | 69% | 0.689 | S | S | * | * | trans | -75 | 93 | 153.2 | -74.8 | -169.4 | 176.2 | 156.3 | 0.7 | 105.6 | Q31 | R29-Q31 PolarHBondContact O-N 3.3Š| ||
| 30 | A | 46 | Very low | 50.4 | Low | 80 Ų | 80 | 128.8 Ų | 128.8 | 66% | 0.661 | 71% | 0.706 | S | S | * | * | trans | -55.7 | 103.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | A28 N32 | A28-A30 PolarHBondContact O-N 3.35Å; A28-A30 VanDerWaalsContact O-N 3.14Å; A30-N32 PolarHBondContact O-N 2.82Å | ||
| 31 | Q | 43.7 | Very low | 50.4 | Low | 154 Ų | 154 | 129.1 Ų | 129.1 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | trans | -63.1 | 90.7 | 161.4 | -93.9 | 172.7 | -73.2 | 0 | 0 | 105.4 | R29 D33 | R29-Q31 PolarHBondContact O-N 3.3Å; Q31-D33 HydrophobicContact CB-CB 4.27Å; Q31-D33 WeakPolarHBondContact CG-OD2 3.5Å; Q31-D33 PolarHBondContact NE2-OD2 3.31Å; Q31-D33 PolarHBondContact O-N 3.48Å | ||
| 32 | N | 49.4 | Very low | 51 | Low | 140 Ų | 140 | 129.6 Ų | 129.6 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | trans | -73.9 | 51.5 | 155.9 | -74.8 | -10.8 | 0 | 0 | 0 | 108.1 | A30 T34 | A30-N32 PolarHBondContact O-N 2.82Å; N32-T34 PolarHBondContact O-N 3.06Å | ||
| 33 | D | 46 | Very low | 51.6 | Low | 111 Ų | 111 | 129.6 Ų | 129.6 | 59% | 0.594 | 73% | 0.728 | S | S | * | * | trans | -80.7 | 61.1 | 172.2 | -70.6 | -3.1 | 0 | 0 | 0 | 107.3 | Q31 E35 | Q31-D33 HydrophobicContact CB-CB 4.27Å; Q31-D33 WeakPolarHBondContact CG-OD2 3.5Å; Q31-D33 PolarHBondContact NE2-OD2 3.31Å; Q31-D33 PolarHBondContact O-N 3.48Å; D33-E35 PolarHBondContact O-N 3.16Å | ||
| 34 | T | 58.8 | Low | 52.5 | Low | 123 Ų | 123 | 125.9 Ų | 125.9 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | trans | -81 | 81.1 | 151.2 | 52 | 0 | 0 | 0 | 0 | 105.3 | N32 | N32-T34 PolarHBondContact O-N 3.06Š| ||
| 35 | E | 56.5 | Low | 53.5 | Low | 167 Ų | 167 | 125 Ų | 125 | 78% | 0.78 | 71% | 0.711 | S | S | * | * | trans | -52.5 | 125.3 | 160.8 | -72.3 | -169.8 | 161.5 | 0 | 0 | 106.6 | D33 I37 | D33-E35 PolarHBondContact O-N 3.16Å; E35-I37 PolarHBondContact O-N 3.4Å | ||
| 36 | P | 56.6 | Low | 54.5 | Low | 112 Ų | 112 | 124.2 Ų | 124.2 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -60.5 | 116.5 | 177.6 | 24.2 | -31.1 | 0 | 0 | 0 | 107 | V38 | P36-V38 VanDerWaalsContact C-N 3.33Å; P36-V38 PolarHBondContact O-N 3.39Å | ||
| 37 | I | 59 | Low | 55.4 | Low | 146 Ų | 146 | 126.3 Ų | 126.3 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | trans | -59.8 | 107 | 166.1 | -62.2 | 171.9 | 0 | 0 | 0 | 104.8 | E35 L39 | E35-I37 PolarHBondContact O-N 3.4Å; I37-L39 HydrophobicContact CG2-CD2 3.89Å; I37-L39 HydrophobicContact CG2-CG 4.38Å; I37-L39 PolarHBondContact O-N 3.41Å | ||
| 38 | V | 53.6 | Low | 55.9 | Low | 111 Ų | 111 | 126.8 Ų | 126.8 | 67% | 0.673 | 71% | 0.705 | S | S | * | * | trans | -66.1 | 95 | 170 | -178.9 | 0 | 0 | 0 | 0 | 105.2 | P36 E40 | P36-V38 VanDerWaalsContact C-N 3.33Å; P36-V38 PolarHBondContact O-N 3.39Å; V38-E40 HydrophobicContact CG1-CG 3.85Å; V38-E40 PolarHBondContact O-N 3.24Å | ||
| 39 | L | 48.7 | Very low | 55.9 | Low | 126 Ų | 126 | 127 Ų | 127 | 66% | 0.66 | 70% | 0.7 | S | S | * | * | trans | -68.1 | 91 | 167.3 | -64.2 | 175.4 | 0 | 0 | 0 | 106 | I37 G41 | I37-L39 HydrophobicContact CG2-CD2 3.89Å; I37-L39 HydrophobicContact CG2-CG 4.38Å; I37-L39 PolarHBondContact O-N 3.41Å; L39-G41 PolarHBondContact O-N 3.39Å | ||
| 40 | E | 51.3 | Low | 56.3 | Low | 190 Ų | 190 | 121.2 Ų | 121.2 | 89% | 0.888 | 69% | 0.687 | S | S | * | * | trans | -68.2 | 83 | 167.2 | -69.3 | -167.5 | 166.3 | 0 | 0 | 108.1 | V38 | V38-E40 HydrophobicContact CG1-CG 3.85Å; V38-E40 PolarHBondContact O-N 3.24Å | ||
| 41 | G | 56.4 | Low | 56.3 | Low | 58 Ų | 58 | 121.9 Ų | 121.9 | 60% | 0.598 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 179.8 | 151.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L39 C43 | L39-G41 PolarHBondContact O-N 3.39Å; G41-C43 PolarHBondContact O-N 2.92Å; G41-C43 VanDerWaalsContact O-N 3.11Å |
| 42 | K | 61.7 | Low | 56.6 | Low | 207 Ų | 207 | 118.8 Ų | 118.8 | 90% | 0.9 | 69% | 0.685 | S | S | * | * | trans | -75.8 | 97.6 | 171.1 | -70.1 | 179.6 | 179.6 | 176.3 | 0 | 108.5 | ||||
| 43 | C | 63.5 | Low | 56.6 | Low | 90 Ų | 90 | 117.9 Ų | 117.9 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | trans | -92.8 | 131.3 | 173.3 | -169 | 0 | 0 | 0 | 0 | 110.1 | G41 | G41-C43 PolarHBondContact O-N 2.92Å; G41-C43 VanDerWaalsContact O-N 3.11Å | ||
| 44 | L | 66.4 | Low | 56.4 | Low | 73 Ų | 73 | 119.5 Ų | 119.5 | 38% | 0.382 | 69% | 0.693 | S | S | . | * | trans | -106 | 111.9 | 167.6 | -173.8 | 112.8 | 0 | 0 | 0 | 108.2 | V46 L168 F198 V200 | L44-V46 HydrophobicContact CD2-CG2 3.38Å; L44-V46 HydrophobicContact CG-CG2 4.32Å; L44-L168 HydrophobicContact CD1-CD2 4.4Å; L44-F198 HydrophobicContact CD2-CE2 3.47Å; L44-F198 VanDerWaalsContact CD2-CE2 3.47Å; L44-F198 HydrophobicContact CD2-CZ 3.45Å; L44-F198 VanDerWaalsContact CD2-CZ 3.45Å; L44-V200 HydrophobicContact CD2-CG1 4.16Å; L44-V200 HydrophobicContact CD2-CG2 4.2Å | ||
| 45 | V | 69.6 | Low | 56 | Low | 115 Ų | 115 | 126 Ų | 126 | 70% | 0.697 | 70% | 0.704 | S | S | * | * | trans | -92.9 | 117.6 | 175.6 | -177 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 46 | V | 66.3 | Low | 55.5 | Low | 84 Ų | 84 | 128.8 Ų | 128.8 | 51% | 0.509 | 71% | 0.708 | S | S | . | * | trans | -107.2 | 106.3 | 172.6 | -174 | 0 | 0 | 0 | 0 | 108 | L44 F198 V200 | L44-V46 HydrophobicContact CD2-CG2 3.38Å; L44-V46 HydrophobicContact CG-CG2 4.32Å; V46-F198 HydrophobicContact CG2-CE2 4.45Å; V46-V200 HydrophobicContact CG2-CG1 4.25Å | ||
| 47 | C | 68.8 | Low | 55.2 | Low | 100 Ų | 100 | 129.6 Ų | 129.6 | 68% | 0.676 | 72% | 0.716 | S | S | * | * | trans | -87.5 | 117.1 | 172.9 | -60.3 | 0 | 0 | 0 | 0 | 108.9 | S49 | C47-S49 PolarHBondContact O-N 3.03Å; C47-S49 VanDerWaalsContact O-N 3.16Å | ||
| 48 | D | 58.3 | Low | 54.5 | Low | 145 Ų | 145 | 127.7 Ų | 127.7 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | trans | -78.2 | 97.5 | 169.5 | -167.7 | -0.3 | 0 | 0 | 0 | 108.4 | N50 | D48-N50 PolarHBondContact O-N 3.16Š| ||
| 49 | S | 49.5 | Very low | 54.2 | Low | 106 Ų | 106 | 128.3 Ų | 128.3 | 74% | 0.741 | 73% | 0.725 | S | S | * | * | trans | -76.6 | 61.1 | 173.6 | -55.8 | 0 | 0 | 0 | 0 | 110 | C47 P51 | C47-S49 PolarHBondContact O-N 3.03Å; C47-S49 VanDerWaalsContact O-N 3.16Å; S49-P51 WeakPolarHBondContact O-CD 3.47Å | ||
| 50 | N | 52.7 | Low | 53.9 | Low | 108 Ų | 108 | 126.3 Ų | 126.3 | 58% | 0.578 | 72% | 0.721 | S | S | * | * | trans | -105.1 | 80.8 | 166.8 | -158.3 | 41.3 | 0 | 0 | 0 | 109.1 | D48 A52 | D48-N50 PolarHBondContact O-N 3.16Å; N50-A52 PolarHBondContact O-N 3.4Å; N50-A52 VanDerWaalsContact O-N 3.11Å | ||
| 51 | P | 46.4 | Very low | 53.5 | Low | 93 Ų | 93 | 123.8 Ų | 123.8 | 60% | 0.604 | 72% | 0.721 | S | S | * | * | trans | -65.8 | 113.5 | 166.9 | 29.4 | -30.6 | 0 | 0 | 0 | 106.3 | S49 T53 | S49-P51 WeakPolarHBondContact O-CD 3.47Å; P51-T53 VanDerWaalsContact C-N 3.3Å; P51-T53 PolarHBondContact O-N 3.06Å | ||
| 52 | A | 48.6 | Very low | 53 | Low | 90 Ų | 90 | 126.7 Ų | 126.7 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | trans | -60.3 | 98.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | N50 D54 | N50-A52 PolarHBondContact O-N 3.4Å; N50-A52 VanDerWaalsContact O-N 3.11Å; A52-D54 PolarHBondContact O-N 3.14Å | ||
| 53 | T | 49.2 | Very low | 52.1 | Low | 121 Ų | 121 | 120.7 Ų | 120.7 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | trans | -72.7 | 119 | 174.9 | 34.2 | 0 | 0 | 0 | 0 | 109.4 | P51 | P51-T53 VanDerWaalsContact C-N 3.3Å; P51-T53 PolarHBondContact O-N 3.06Å | ||
| 54 | D | 43.3 | Very low | 51.3 | Low | 145 Ų | 145 | 121.2 Ų | 121.2 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | trans | 51.2 | 109.6 | 154.8 | -58.7 | -30.9 | 0 | 0 | 0 | 119.3 | A52 R56 | A52-D54 PolarHBondContact O-N 3.14Å; D54-R56 PolarHBondContact O-N 3.39Å | ||
| 55 | W | 49.7 | Very low | 50.2 | Low | 259 Ų | 259 | 120.5 Ų | 120.5 | 98% | 0.981 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -67.4 | 26.5 | 177.2 | -66.8 | -50.6 | 0 | 0 | 0 | 116.7 | ||
| 56 | R | 47.1 | Very low | 49.1 | Very low | 226 Ų | 226 | 121.3 Ų | 121.3 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -137.7 | 106.3 | 178.8 | -65.3 | -172.6 | -178.3 | -174.8 | 1.6 | 111.4 | D54 | D54-R56 PolarHBondContact O-N 3.39Š|
| 57 | S | 48.7 | Very low | 48.4 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 90% | 0.902 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 95.7 | 65.9 | 162.1 | -34.8 | 0 | 0 | 0 | 0 | 116.5 | ||
| 58 | S | 44.4 | Very low | 47.6 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | trans | -154.6 | 120.6 | 148.6 | 174.3 | 0 | 0 | 0 | 0 | 108.7 | S60 | S58-S60 PolarHBondContact O-N 3.4Š| ||
| 59 | S | 48 | Very low | 47.2 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 87% | 0.867 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -77.2 | 60.6 | -172.3 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 60 | S | 43 | Very low | 47.8 | Very low | 84 Ų | 84 | 122.6 Ų | 122.6 | 59% | 0.587 | 71% | 0.711 | S | S | * | * | trans | -136 | 113.8 | 161 | -71.1 | 0 | 0 | 0 | 0 | 107.7 | S58 L62 | S58-S60 PolarHBondContact O-N 3.4Å; S60-L62 PolarHBondContact O-N 3.3Å | ||
| 61 | P | 41.9 | Very low | 48.7 | Very low | 136 Ų | 136 | 119.3 Ų | 119.3 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -76.3 | 11.5 | -166.6 | 30.8 | -34 | 0 | 0 | 0 | 114.2 | ||
| 62 | L | 45.3 | Very low | 50.7 | Low | 120 Ų | 120 | 122.5 Ų | 122.5 | 63% | 0.628 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -135.8 | 116.8 | 174 | -63.7 | 169.5 | 0 | 0 | 0 | 106 | S60 I64 | S60-L62 PolarHBondContact O-N 3.3Å; L62-I64 HydrophobicContact CB-CD1 3.76Å; L62-I64 HydrophobicContact CB-CG1 3.92Å; L62-I64 HydrophobicContact CD1-CD1 3.85Å; L62-I64 HydrophobicContact CG-CD1 4.35Å; L62-I64 PolarHBondContact O-N 2.94Å |
| 63 | G | 44.4 | Very low | 53 | Low | 81 Ų | 81 | 118.6 Ų | 118.6 | 84% | 0.835 | 67% | 0.667 | S | S | * | * | trans | -64.9 | 35.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S65 | G63-S65 VanDerWaalsContact C-N 3.33Å; G63-S65 PolarHBondContact O-N 2.85Å; G63-S65 VanDerWaalsContact O-N 3.07Å | ||
| 64 | I | 45.6 | Very low | 55.3 | Low | 100 Ų | 100 | 114.1 Ų | 114.1 | 51% | 0.513 | 64% | 0.643 | S | S | . | * | trans | -74.2 | 94.3 | 168 | -61.1 | 167 | 0 | 0 | 0 | 104.8 | L62 V66 | L62-I64 HydrophobicContact CB-CD1 3.76Å; L62-I64 HydrophobicContact CB-CG1 3.92Å; L62-I64 HydrophobicContact CD1-CD1 3.85Å; L62-I64 HydrophobicContact CG-CD1 4.35Å; L62-I64 PolarHBondContact O-N 2.94Å; I64-V66 PolarHBondContact O-N 3.14Å | ||
| 65 | S | 44.4 | Very low | 57.9 | Low | 58 Ų | 58 | 107.5 Ų | 107.5 | 41% | 0.406 | 61% | 0.607 | S | S | . | * | trans | -49.5 | 116.1 | 153.8 | 174.1 | 0 | 0 | 0 | 0 | 106.2 | G63 R67 A68 | G63-S65 VanDerWaalsContact C-N 3.33Å; G63-S65 PolarHBondContact O-N 2.85Å; G63-S65 VanDerWaalsContact O-N 3.07Å; S65-R67 PolarHBondContact O-N 2.97Å; S65-R67 PolarHBondContact OG-N 2.78Å; S65-A68 WeakPolarHBondContact O-CB 3.5Å; S65-A68 PolarHBondContact O-N 3.16Å | ||
| 66 | V | 45.4 | Very low | 60.2 | Low | 133 Ų | 133 | 96.6 Ų | 96.6 | 81% | 0.806 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -8.6 | 178.1 | 177 | 0 | 0 | 0 | 0 | 111.3 | I64 | I64-V66 PolarHBondContact O-N 3.14Š|
| 67 | R | 51 | Low | 62.7 | Low | 216 Ų | 216 | 85.9 Ų | 85.9 | 82% | 0.815 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -23.8 | 168.3 | -59.6 | -174.8 | -169.8 | -142.9 | 1.1 | 114.8 | S65 | S65-R67 PolarHBondContact O-N 2.97Å; S65-R67 PolarHBondContact OG-N 2.78Å |
| 68 | A | 52.8 | Low | 65.1 | Low | 45 Ų | 45 | 80.9 Ų | 80.9 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -18.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S65 N70 S71 | S65-A68 WeakPolarHBondContact O-CB 3.5Å; S65-A68 PolarHBondContact O-N 3.16Å; A68-N70 PolarHBondContact O-N 2.81Å; A68-N70 VanDerWaalsContact O-N 3.14Å; A68-S71 WeakPolarHBondContact CA-OG 3.3Å; A68-S71 PolarHBondContact O-N 2.94Å; A68-S71 PolarHBondContact O-OG 2.79Å |
| 69 | A | 50.5 | Low | 67.6 | Low | 75 Ų | 75 | 76.6 Ų | 76.6 | 62% | 0.62 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 70 | N | 61 | Low | 69.8 | Low | 125 Ų | 125 | 73 Ų | 73 | 67% | 0.668 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.1 | 25.8 | 179.8 | -63.2 | -16.3 | 0 | 0 | 0 | 112.9 | A68 | A68-N70 PolarHBondContact O-N 2.81Å; A68-N70 VanDerWaalsContact O-N 3.14Å |
| 71 | S | 73 | Confident | 72.1 | Confident | 40 Ų | 40 | 70.4 Ų | 70.4 | 28% | 0.28 | 42% | 0.416 | S | S | . | . | trans | -97.9 | -7.6 | 179.1 | 64.7 | 0 | 0 | 0 | 0 | 113.8 | A68 | A68-S71 WeakPolarHBondContact CA-OG 3.3Å; A68-S71 PolarHBondContact O-N 2.94Å; A68-S71 PolarHBondContact O-OG 2.79Å | ||
| 72 | K | 87.7 | Confident | 74.3 | Confident | 159 Ų | 159 | 67.3 Ų | 67.3 | 69% | 0.691 | 39% | 0.392 | S | S | * | . | trans | -97.9 | 118.8 | -178.7 | -60.5 | -178.4 | -177 | -179.6 | 0 | 109.4 | I104 | K72-I104 HydrophobicContact CB-CG2 3.96Š| ||
| 73 | V | 95.8 | Very high | 76.4 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 5% | 0.048 | 39% | 0.392 | C | S | . | . | trans | -138 | 121.8 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 107.2 | Y107 F114 P117 Y122 F198 L199 | V73-Y107 HydrophobicContact CG1-CD2 3.96Å; V73-Y107 HydrophobicContact CG2-CD2 4.29Å; V73-Y107 HydrophobicContact CG2-CE2 4.23Å; V73-F114 HydrophobicContact CG1-CE2 3.8Å; V73-F114 HydrophobicContact CG1-CZ 3.75Å; V73-P117 HydrophobicContact CG1-CG 4.22Å; V73-P117 HydrophobicContact CG2-CG 3.68Å; V73-Y122 HydrophobicContact CG1-CE1 4.14Å; V73-F198 CarbonylContact O-C 3.53Å; V73-F198 VanDerWaalsContact O-CA 3.23Å; V73-F198 WeakPolarHBondContact O-CA 3.48Å; V73-F198 VanDerWaalsContact O-CB 3.31Å; V73-F198 WeakPolarHBondContact O-CB 3.28Å; V73-L199 HydrophobicContact CB-CB 3.76Å; V73-L199 HydrophobicContact CG2-CB 4.29Å; V73-L199 HydrophobicContact CG2-CD2 4.15Å; V73-L199 PolarHBondContact O-N 2.92Å | ||
| 74 | A | 97.6 | Very high | 78.4 | Confident | 28 Ų | 28 | 68.6 Ų | 68.6 | 23% | 0.231 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 144.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V102 N103 I104 G197 F198 | A74-V102 HydrophobicContact CB-CG1 4.26Å; A74-N103 CarbonylContact O-C 3.52Å; A74-I104 HydrophobicContact CB-CB 4.39Å; A74-I104 HydrophobicContact CB-CG1 4.27Å; A74-I104 PolarHBondContact O-N 3.01Å; A74-G197 CarbonylContact C-O 3.57Å; A74-G197 WeakPolarHBondContact CA-O 3.31Å; A74-F198 HydrophobicContact CB-CB 3.82Å |
| 75 | F | 98.7 | Very high | 80.2 | Confident | 5 Ų | 5 | 64.7 Ų | 64.7 | 2% | 0.022 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 154.6 | 168 | 76.7 | -80.5 | 0 | 0 | 0 | 111.2 | V102 F108 F114 F124 F195 S196 G197 | F75-V102 CarbonylContact C-O 3.45Å; F75-V102 WeakPolarHBondContact CA-O 3.16Å; F75-F108 HydrophobicContact CB-CB 3.7Å; F75-F108 HydrophobicContact CB-CG 4.18Å; F75-F108 HydrophobicContact CD1-CD2 4.46Å; F75-F108 HydrophobicContact CD2-CB 4.08Å; F75-F108 HydrophobicContact CD2-CD1 4.26Å; F75-F108 AromaticContact CD2-CD2 3.34Å; F75-F108 HydrophobicContact CD2-CD2 3.34Å; F75-F108 AromaticContact CD2-CE2 3.71Å; F75-F108 HydrophobicContact CD2-CE2 3.71Å; F75-F108 AromaticContact CD2-CG 3.64Å; F75-F108 HydrophobicContact CD2-CG 3.64Å; F75-F108 HydrophobicContact CD2-CZ 4.28Å; F75-F108 AromaticContact CE2-CD2 3.51Å; F75-F108 HydrophobicContact CE2-CD2 3.51Å; F75-F108 AromaticContact CE2-CE2 3.5Å; F75-F108 HydrophobicContact CE2-CE2 3.5Å; F75-F108 HydrophobicContact CE2-CG 4.27Å; F75-F108 HydrophobicContact CE2-CZ 4.25Å; F75-F108 HydrophobicContact CG-CB 3.89Å; F75-F108 AromaticContact CG-CD2 3.86Å; F75-F108 HydrophobicContact CG-CD2 3.86Å; F75-F108 AromaticContact CG-CG 3.98Å; F75-F108 HydrophobicContact CG-CG 3.98Å; F75-F108 HydrophobicContact CZ-CD2 4.16Å; F75-F108 HydrophobicContact CZ-CE2 4.28Å; F75-F114 HydrophobicContact CD1-CB 4.45Å; F75-F114 AromaticContact CD1-CD2 3.38Å; F75-F114 HydrophobicContact CD1-CD2 3.38Å; F75-F114 AromaticContact CD1-CE2 3.86Å; F75-F114 HydrophobicContact CD1-CE2 3.86Å; F75-F114 HydrophobicContact CD1-CG 4.1Å; F75-F114 HydrophobicContact CE1-CB 3.93Å; F75-F114 AromaticContact CE1-CD2 3.54Å; F75-F114 HydrophobicContact CE1-CD2 3.54Å; F75-F114 HydrophobicContact CE1-CE2 4.2Å; F75-F114 AromaticContact CE1-CG 3.76Å; F75-F114 HydrophobicContact CE1-CG 3.76Å; F75-F114 HydrophobicContact CG-CD2 4.28Å; F75-F114 HydrophobicContact CZ-CB 4.2Å; F75-F124 HydrophobicContact CE1-CD1 4.04Å; F75-F124 AromaticContact CE1-CE1 3.77Å; F75-F124 HydrophobicContact CE1-CE1 3.77Å; F75-F124 HydrophobicContact CZ-CD1 4.05Å; F75-F124 HydrophobicContact CZ-CE1 4.12Å; F75-F195 AromaticContact CE2-CD1 3.75Å; F75-F195 HydrophobicContact CE2-CD1 3.75Å; F75-F195 HydrophobicContact CE2-CD2 4.27Å; F75-F195 AromaticContact CE2-CE1 3.88Å; F75-F195 HydrophobicContact CE2-CE1 3.88Å; F75-F195 HydrophobicContact CE2-CE2 4.37Å; F75-F195 AromaticContact CE2-CG 3.96Å; F75-F195 HydrophobicContact CE2-CG 3.96Å; F75-F195 HydrophobicContact CE2-CZ 4.19Å; F75-F195 HydrophobicContact CZ-CD1 4.15Å; F75-F195 HydrophobicContact CZ-CD2 4.23Å; F75-F195 AromaticContact CZ-CE1 3.84Å; F75-F195 HydrophobicContact CZ-CE1 3.84Å; F75-F195 AromaticContact CZ-CE2 3.93Å; F75-F195 HydrophobicContact CZ-CE2 3.93Å; F75-F195 HydrophobicContact CZ-CG 4.34Å; F75-F195 AromaticContact CZ-CZ 3.72Å; F75-F195 HydrophobicContact CZ-CZ 3.72Å; F75-S196 WeakPolarHBondContact O-CA 3.49Å; F75-S196 WeakPolarHBondContact O-CB 3.36Å; F75-G197 WeakPolarHBondContact CD1-O 3.43Å; F75-G197 PolarHBondContact N-O 3.11Å; F75-G197 PolarHBondContact O-N 3.13Å |
| 76 | S | 98.7 | Very high | 82.1 | Confident | 31 Ų | 31 | 65.2 Ų | 65.2 | 22% | 0.217 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 124.6 | 171.3 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | L101 V102 | S76-L101 PolarHBondContact O-N 3.43Å; S76-V102 PolarHBondContact N-O 3.14Å; S76-V102 PolarHBondContact O-N 3.05Å; S76-V102 VanDerWaalsContact O-N 3.16Å |
| 77 | A | 98.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 147.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F97 Q99 V100 F108 T194 F195 | A77-F97 HydrophobicContact CB-CB 3.66Å; A77-F97 HydrophobicContact CB-CG 4.14Å; A77-Q99 CarbonylContact C-O 3.54Å; A77-Q99 VanDerWaalsContact CA-O 3.3Å; A77-Q99 WeakPolarHBondContact CA-O 3.47Å; A77-V100 HydrophobicContact CB-CG2 4.33Å; A77-F108 HydrophobicContact CB-CD1 4.29Å; A77-F108 HydrophobicContact CB-CE1 3.53Å; A77-F108 HydrophobicContact CB-CZ 3.9Å; A77-T194 WeakPolarHBondContact O-CA 3.34Å; A77-F195 PolarHBondContact N-O 3.2Å; A77-F195 PolarHBondContact O-N 2.99Å |
| 78 | V | 98.4 | Very high | 85.1 | Confident | 24 Ų | 24 | 63.2 Ų | 63.2 | 15% | 0.145 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 151.2 | -177.4 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | D98 Q99 L101 S193 T194 | V78-D98 PolarHBondContact O-N 3.33Å; V78-Q99 HydrophobicContact CG2-CB 3.8Å; V78-Q99 HydrophobicContact CG2-CG 4.06Å; V78-Q99 PolarHBondContact N-O 2.84Å; V78-Q99 PolarHBondContact O-N 2.77Å; V78-Q99 VanDerWaalsContact O-N 3.16Å; V78-L101 HydrophobicContact CG1-CD1 3.66Å; V78-L101 HydrophobicContact CG1-CG 4.24Å; V78-L101 HydrophobicContact CG2-CD1 4.29Å; V78-L101 HydrophobicContact CG2-CD2 4.28Å; V78-L101 HydrophobicContact CG2-CG 4.22Å; V78-S193 CarbonylContact C-O 3.45Å; V78-S193 VanDerWaalsContact CA-O 3.28Å; V78-S193 WeakPolarHBondContact CA-O 3.23Å; V78-T194 HydrophobicContact CG1-CG2 4.01Å |
| 79 | R | 96.9 | Very high | 86.4 | Confident | 16 Ų | 16 | 61.8 Ų | 61.8 | 6% | 0.06 | 34% | 0.338 | C | S | . | . | trans | -89.5 | 112.5 | 168.6 | -177.3 | 65.8 | 171.1 | 176.3 | -7.2 | 108.6 | N81 H83 F97 D98 W190 Y192 S193 | R79-N81 WeakPolarHBondContact CG-O 3.27Å; R79-N81 VanDerWaalsContact CZ-OD1 3.3Å; R79-N81 PolarHBondContact NE-O 3.47Å; R79-N81 PolarHBondContact NH2-OD1 2.83Å; R79-H83 PolarHBondContact NH2-O 2.71Å; R79-F97 HydrophobicContact CB-CD1 4.5Å; R79-D98 WeakPolarHBondContact CA-OD1 3.35Å; R79-D98 VanDerWaalsContact CD-OD1 3.3Å; R79-D98 WeakPolarHBondContact CD-OD1 3.28Å; R79-D98 IonicContact NH1-OD1 3.7Å; R79-W190 WeakPolarHBondContact CB-O 3.26Å; R79-W190 VanDerWaalsContact CG-CD1 3.49Å; R79-W190 HydrophobicContact CG-CD2 4.26Å; R79-W190 HydrophobicContact CG-CG 3.96Å; R79-W190 WeakPolarHBondContact CG-O 3.39Å; R79-W190 VanDerWaalsContact CZ-CZ2 3.44Å; R79-Y192 PolarHBondContact O-N 3.43Å; R79-S193 PolarHBondContact N-O 2.76Å | ||
| 80 | S | 95.2 | Very high | 87.9 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 34% | 0.343 | 33% | 0.33 | S | S | . | . | trans | -89.5 | -15 | -173.1 | 82.2 | 0 | 0 | 0 | 0 | 114.1 | D98 Q191 | S80-D98 WeakPolarHBondContact CB-OD2 3.41Å; S80-D98 PolarHBondContact N-OD1 2.96Å; S80-D98 PolarHBondContact OG-OD2 2.81Å; S80-Q191 PolarHBondContact O-NE2 3.34Å | ||
| 81 | N | 91.4 | Very high | 89.3 | Confident | 30 Ų | 30 | 64.9 Ų | 64.9 | 16% | 0.16 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -137.3 | 165.1 | -172.5 | 61.9 | 70.4 | 0 | 0 | 0 | 113.2 | R79 H83 D98 | R79-N81 WeakPolarHBondContact CG-O 3.27Å; R79-N81 VanDerWaalsContact CZ-OD1 3.3Å; R79-N81 PolarHBondContact NE-O 3.47Å; R79-N81 PolarHBondContact NH2-OD1 2.83Å; N81-H83 VanDerWaalsContact OD1-CB 3.25Å; N81-H83 WeakPolarHBondContact OD1-CB 3.34Å; N81-H83 VanDerWaalsContact OD1-CG 3.28Å; N81-H83 PolarHBondContact OD1-N 2.68Å; N81-H83 VanDerWaalsContact OD1-N 3.09Å; N81-H83 PolarHBondContact OD1-ND1 2.92Å; N81-D98 PolarHBondContact ND2-OD2 2.53Å; N81-D98 VanDerWaalsContact ND2-OD2 3.1Å |
| 82 | N | 87.8 | Confident | 90.2 | Very high | 71 Ų | 71 | 65.7 Ų | 65.7 | 38% | 0.38 | 34% | 0.339 | S | S | . | . | trans | -96.2 | 25 | 176.5 | -69.8 | -51.2 | 0 | 0 | 0 | 113.1 | E84 Q191 | N82-E84 PolarHBondContact O-N 2.74Å; N82-Q191 PolarHBondContact ND2-OE1 3.35Å; N82-Q191 WeakPolarHBondContact OD1-CB 3.35Å; N82-Q191 PolarHBondContact OD1-N 2.79Å | ||
| 83 | H | 88.2 | Confident | 90.5 | Very high | 132 Ų | 132 | 63 Ų | 63 | 61% | 0.611 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 141.7 | 176.2 | -64.3 | 155.3 | 0 | 0 | 0 | 110.7 | R79 N81 W190 | R79-H83 PolarHBondContact NH2-O 2.71Å; N81-H83 VanDerWaalsContact OD1-CB 3.25Å; N81-H83 WeakPolarHBondContact OD1-CB 3.34Å; N81-H83 VanDerWaalsContact OD1-CG 3.28Å; N81-H83 PolarHBondContact OD1-N 2.68Å; N81-H83 VanDerWaalsContact OD1-N 3.09Å; N81-H83 PolarHBondContact OD1-ND1 2.92Å; H83-W190 WeakPolarHBondContact O-CZ3 3.39Å |
| 84 | E | 86.7 | Confident | 90.6 | Very high | 96 Ų | 96 | 64.2 Ų | 64.2 | 45% | 0.449 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -56 | 154.2 | 174.7 | -70.4 | -62 | 148.1 | 0 | 0 | 111.9 | N82 S86 V187 G188 | N82-E84 PolarHBondContact O-N 2.74Å; E84-S86 PolarHBondContact O-N 3.24Å; E84-V187 VanDerWaalsContact OE2-CA 3.29Å; E84-V187 WeakPolarHBondContact OE2-CA 3.4Å; E84-G188 PolarHBondContact OE1-N 2.98Å |
| 85 | P | 84 | Confident | 90.5 | Very high | 18 Ų | 18 | 62.9 Ų | 62.9 | 12% | 0.117 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 133.3 | 173 | -18.5 | 29.4 | 0 | 0 | 0 | 111.2 | N90 L186 W190 | P85-N90 WeakPolarHBondContact CB-OD1 3.39Å; P85-L186 HydrophobicContact CG-CB 4.28Å; P85-W190 HydrophobicContact CB-CH2 4.24Å; P85-W190 HydrophobicContact CB-CZ3 4.2Å; P85-W190 HydrophobicContact CG-CH2 4.22Å; P85-W190 HydrophobicContact CG-CZ3 3.67Å |
| 86 | S | 84.1 | Confident | 90.4 | Very high | 69 Ų | 69 | 66.9 Ų | 66.9 | 48% | 0.483 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 160.3 | 172.2 | 67 | 0 | 0 | 0 | 0 | 110.9 | E84 M88 S89 N90 | E84-S86 PolarHBondContact O-N 3.24Å; S86-M88 PolarHBondContact O-N 3.5Å; S86-S89 WeakPolarHBondContact O-CB 3.28Å; S86-S89 PolarHBondContact O-N 2.8Å; S86-S89 PolarHBondContact OG-N 2.91Å; S86-N90 PolarHBondContact O-N 3Å |
| 87 | E | 83.1 | Confident | 90.3 | Very high | 178 Ų | 178 | 65.6 Ų | 65.6 | 83% | 0.832 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -53.2 | -38.8 | 174.5 | -67.1 | -171.8 | 165.1 | 0 | 0 | 112.3 | N90 K91 | E87-N90 PolarHBondContact O-N 2.88Å; E87-K91 PolarHBondContact O-N 2.85Å |
| 88 | M | 76.9 | Confident | 90.2 | Very high | 128 Ų | 128 | 68.1 Ų | 68.1 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 176.9 | -168.9 | 64 | 73.7 | 0 | 0 | 112.4 | S86 N90 K91 T92 | S86-M88 PolarHBondContact O-N 3.5Å; M88-N90 VanDerWaalsContact C-N 3.34Å; M88-K91 PolarHBondContact O-N 2.81Å; M88-T92 HydrophobicContact CG-CG2 4.43Å; M88-T92 WeakPolarHBondContact O-CB 3.44Å; M88-T92 WeakPolarHBondContact O-CG2 3.5Å; M88-T92 PolarHBondContact O-N 2.96Å; M88-T92 PolarHBondContact O-OG1 3.08Å; M88-T92 HydrophobicContact SD-CG2 4.22Å |
| 89 | S | 80.9 | Confident | 90.2 | Very high | 15 Ų | 15 | 71.2 Ų | 71.2 | 11% | 0.105 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.4 | -38 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | S86 K91 R93 I94 | S86-S89 WeakPolarHBondContact O-CB 3.28Å; S86-S89 PolarHBondContact O-N 2.8Å; S86-S89 PolarHBondContact OG-N 2.91Å; S89-K91 VanDerWaalsContact C-N 3.34Å; S89-K91 PolarHBondContact O-N 3.03Å; S89-R93 WeakPolarHBondContact O-CA 3.5Å; S89-R93 PolarHBondContact O-N 2.52Å; S89-I94 PolarHBondContact OG-O 3.48Å |
| 90 | N | 82 | Confident | 90.2 | Very high | 86 Ų | 86 | 73.5 Ų | 73.5 | 46% | 0.46 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 175.2 | -76 | -33.7 | 0 | 0 | 0 | 112.8 | P85 S86 E87 M88 R93 | P85-N90 WeakPolarHBondContact CB-OD1 3.39Å; S86-N90 PolarHBondContact O-N 3Å; E87-N90 PolarHBondContact O-N 2.88Å; M88-N90 VanDerWaalsContact C-N 3.34Å; N90-R93 PolarHBondContact O-NE 2.91Å |
| 91 | K | 88.4 | Confident | 90.4 | Very high | 180 Ų | 180 | 75.8 Ų | 75.8 | 78% | 0.783 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -72.9 | -47.8 | 177.9 | -173.1 | 176 | -179.4 | 178.6 | 0 | 112.7 | E87 M88 S89 | E87-K91 PolarHBondContact O-N 2.85Å; M88-K91 PolarHBondContact O-N 2.81Å; S89-K91 VanDerWaalsContact C-N 3.34Å; S89-K91 PolarHBondContact O-N 3.03Å |
| 92 | T | 91.9 | Very high | 90.7 | Very high | 57 Ų | 57 | 77.1 Ų | 77.1 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -82.3 | -23.1 | -176.3 | 58.7 | 0 | 0 | 0 | 0 | 113.1 | M88 I94 | M88-T92 HydrophobicContact CG-CG2 4.43Å; M88-T92 WeakPolarHBondContact O-CB 3.44Å; M88-T92 WeakPolarHBondContact O-CG2 3.5Å; M88-T92 PolarHBondContact O-N 2.96Å; M88-T92 PolarHBondContact O-OG1 3.08Å; M88-T92 HydrophobicContact SD-CG2 4.22Å; T92-I94 PolarHBondContact O-N 2.82Å; T92-I94 PolarHBondContact OG1-N 3.16Å |
| 93 | R | 95.1 | Very high | 91.2 | Very high | 102 Ų | 102 | 75.7 Ų | 75.7 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | trans | 58.8 | 15.2 | -169.7 | -59.5 | -70.4 | -174.7 | 142.6 | -0.3 | 113.8 | S89 N90 K180 L181 G184 | S89-R93 WeakPolarHBondContact O-CA 3.5Å; S89-R93 PolarHBondContact O-N 2.52Å; N90-R93 PolarHBondContact O-NE 2.91Å; R93-K180 HydrophobicContact CB-CG 3.98Å; R93-K180 CarbonylContact O-C 3.57Å; R93-K180 WeakPolarHBondContact O-CA 3.44Å; R93-K180 WeakPolarHBondContact O-CG 3.34Å; R93-L181 WeakPolarHBondContact CB-O 3.31Å; R93-L181 PolarHBondContact O-N 3.1Å; R93-G184 PolarHBondContact NH1-O 2.87Å | ||
| 94 | I | 97.2 | Very high | 91.6 | Very high | 33 Ų | 33 | 73.6 Ų | 73.6 | 17% | 0.169 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -74.5 | 132.8 | 173.4 | -63.2 | 177.1 | 0 | 0 | 0 | 108.7 | S89 T92 Y178 L179 | S89-I94 PolarHBondContact OG-O 3.48Å; T92-I94 PolarHBondContact O-N 2.82Å; T92-I94 PolarHBondContact OG1-N 3.16Å; I94-Y178 HydrophobicContact CD1-CD2 4.08Å; I94-Y178 HydrophobicContact CD1-CE2 4.14Å; I94-Y178 HydrophobicContact CG1-CD2 3.86Å; I94-Y178 HydrophobicContact CG1-CE2 3.96Å; I94-Y178 HydrophobicContact CG2-CD2 4.44Å; I94-L179 WeakPolarHBondContact CA-O 3.32Å |
| 95 | I | 96.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 122.9 | 176.8 | -56.7 | 180 | 0 | 0 | 0 | 108.4 | F97 S112 V128 V139 L179 L181 L186 | I95-F97 HydrophobicContact CB-CE2 4.41Å; I95-F97 HydrophobicContact CG2-CE2 3.97Å; I95-F97 HydrophobicContact CG2-CZ 4.04Å; I95-S112 WeakPolarHBondContact O-CB 3.06Å; I95-V128 HydrophobicContact CD1-CG1 4.22Å; I95-V128 HydrophobicContact CD1-CG2 3.93Å; I95-V139 HydrophobicContact CD1-CB 4.38Å; I95-V139 HydrophobicContact CD1-CG1 3.68Å; I95-V139 HydrophobicContact CD1-CG2 3.85Å; I95-L179 HydrophobicContact CB-CB 4.19Å; I95-L179 HydrophobicContact CD1-CB 4.24Å; I95-L179 HydrophobicContact CG1-CB 4.43Å; I95-L179 PolarHBondContact N-O 2.75Å; I95-L181 HydrophobicContact CD1-CB 4.36Å; I95-L181 HydrophobicContact CG1-CB 4.2Å; I95-L186 HydrophobicContact CD1-CD1 4.35Å; I95-L186 HydrophobicContact CG1-CD1 4.15Å; I95-L186 HydrophobicContact CG2-CD1 4.19Å |
| 96 | Y | 95.9 | Very high | 92.5 | Very high | 89 Ų | 89 | 76.2 Ų | 76.2 | 35% | 0.349 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -97.7 | 140.5 | -173.4 | -177.9 | -92.9 | 0 | 0 | 0 | 112.3 | D98 F110 S112 W190 | Y96-D98 HydrophobicContact CD1-CB 4.38Å; Y96-D98 HydrophobicContact CE1-CB 3.69Å; Y96-F110 WeakPolarHBondContact CE2-O 3.3Å; Y96-S112 WeakPolarHBondContact CA-OG 3.24Å; Y96-W190 PolarHBondContact O-NE1 3.07Å |
| 97 | F | 97.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 76.8 Ų | 76.8 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | trans | -121.7 | 117.2 | 175.3 | -60.7 | -94.1 | 0 | 0 | 0 | 108.6 | A77 R79 I95 S112 L179 F195 | A77-F97 HydrophobicContact CB-CB 3.66Å; A77-F97 HydrophobicContact CB-CG 4.14Å; R79-F97 HydrophobicContact CB-CD1 4.5Å; I95-F97 HydrophobicContact CB-CE2 4.41Å; I95-F97 HydrophobicContact CG2-CE2 3.97Å; I95-F97 HydrophobicContact CG2-CZ 4.04Å; F97-S112 PolarHBondContact N-OG 3.29Å; F97-L179 HydrophobicContact CE2-CD1 4.04Å; F97-L179 HydrophobicContact CZ-CD1 3.89Å; F97-F195 HydrophobicContact CD1-CB 4.42Å; F97-F195 HydrophobicContact CD2-CB 4.18Å; F97-F195 HydrophobicContact CE1-CB 3.92Å; F97-F195 HydrophobicContact CE2-CB 3.64Å; F97-F195 HydrophobicContact CE2-CD1 4.21Å; F97-F195 HydrophobicContact CE2-CG 4.33Å; F97-F195 HydrophobicContact CZ-CB 3.5Å | ||
| 98 | D | 95.7 | Very high | 93.8 | Very high | 53 Ų | 53 | 68.7 Ų | 68.7 | 28% | 0.283 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -83.8 | -22.9 | -172.9 | 59.7 | -68.6 | 0 | 0 | 0 | 113.4 | V78 R79 S80 N81 Y96 | V78-D98 PolarHBondContact O-N 3.33Å; R79-D98 WeakPolarHBondContact CA-OD1 3.35Å; R79-D98 VanDerWaalsContact CD-OD1 3.3Å; R79-D98 WeakPolarHBondContact CD-OD1 3.28Å; R79-D98 IonicContact NH1-OD1 3.7Å; S80-D98 WeakPolarHBondContact CB-OD2 3.41Å; S80-D98 PolarHBondContact N-OD1 2.96Å; S80-D98 PolarHBondContact OG-OD2 2.81Å; N81-D98 PolarHBondContact ND2-OD2 2.53Å; N81-D98 VanDerWaalsContact ND2-OD2 3.1Å; Y96-D98 HydrophobicContact CD1-CB 4.38Å; Y96-D98 HydrophobicContact CE1-CB 3.69Å |
| 99 | Q | 97.8 | Very high | 94.8 | Very high | 88 Ų | 88 | 64.3 Ų | 64.3 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 116.8 | -177.2 | -175.6 | 179.8 | 4.6 | 0 | 0 | 110.4 | A77 V78 L101 | A77-Q99 CarbonylContact C-O 3.54Å; A77-Q99 VanDerWaalsContact CA-O 3.3Å; A77-Q99 WeakPolarHBondContact CA-O 3.47Å; V78-Q99 HydrophobicContact CG2-CB 3.8Å; V78-Q99 HydrophobicContact CG2-CG 4.06Å; V78-Q99 PolarHBondContact N-O 2.84Å; V78-Q99 PolarHBondContact O-N 2.77Å; V78-Q99 VanDerWaalsContact O-N 3.16Å; Q99-L101 HydrophobicContact CG-CD2 3.98Å |
| 100 | V | 98.4 | Very high | 95.5 | Very high | 64 Ų | 64 | 71.1 Ų | 71.1 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 113.8 | 174.7 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | A77 V102 N103 F108 | A77-V100 HydrophobicContact CB-CG2 4.33Å; V100-V102 VanDerWaalsContact CG1-O 3.27Å; V100-V102 WeakPolarHBondContact CG1-O 3.35Å; V100-N103 HydrophobicContact CG1-CB 3.81Å; V100-F108 HydrophobicContact CG1-CD1 4.48Å; V100-F108 HydrophobicContact CG2-CD1 3.97Å; V100-F108 HydrophobicContact CG2-CE1 4.14Å |
| 101 | L | 98.3 | Very high | 96.1 | Very high | 98 Ų | 98 | 71.1 Ų | 71.1 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -37.1 | -179.8 | -57 | -179 | 0 | 0 | 0 | 111.9 | S76 V78 Q99 | S76-L101 PolarHBondContact O-N 3.43Å; V78-L101 HydrophobicContact CG1-CD1 3.66Å; V78-L101 HydrophobicContact CG1-CG 4.24Å; V78-L101 HydrophobicContact CG2-CD1 4.29Å; V78-L101 HydrophobicContact CG2-CD2 4.28Å; V78-L101 HydrophobicContact CG2-CG 4.22Å; Q99-L101 HydrophobicContact CG-CD2 3.98Å |
| 102 | V | 98.2 | Very high | 96.5 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 35% | 0.352 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 135.7 | -179.7 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | A74 F75 S76 V100 I104 | A74-V102 HydrophobicContact CB-CG1 4.26Å; F75-V102 CarbonylContact C-O 3.45Å; F75-V102 WeakPolarHBondContact CA-O 3.16Å; S76-V102 PolarHBondContact N-O 3.14Å; S76-V102 PolarHBondContact O-N 3.05Å; S76-V102 VanDerWaalsContact O-N 3.16Å; V100-V102 VanDerWaalsContact CG1-O 3.27Å; V100-V102 WeakPolarHBondContact CG1-O 3.35Å; V102-I104 HydrophobicContact CG1-CD1 4.28Å; V102-I104 HydrophobicContact CG1-CG1 3.79Å |
| 103 | N | 97.6 | Very high | 96.8 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 22% | 0.219 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 60.2 | 173.6 | -157.3 | -2.1 | 0 | 0 | 0 | 111.5 | A74 V100 G105 N106 Y107 F108 | A74-N103 CarbonylContact O-C 3.52Å; V100-N103 HydrophobicContact CG1-CB 3.81Å; N103-G105 PolarHBondContact O-N 3.08Å; N103-G105 VanDerWaalsContact O-N 3.14Å; N103-N106 PolarHBondContact O-N 3.28Å; N103-N106 PolarHBondContact O-OD1 2.87Å; N103-N106 WeakPolarHBondContact OD1-CA 3.35Å; N103-Y107 PolarHBondContact OD1-N 2.87Å; N103-F108 PolarHBondContact ND2-O 2.8Å; N103-F108 PolarHBondContact OD1-N 3.3Å; N103-F108 VanDerWaalsContact OD1-N 3.14Å |
| 104 | I | 96.6 | Very high | 97 | Very high | 88 Ų | 88 | 55.9 Ų | 55.9 | 45% | 0.451 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 115.4 | 179.7 | -52 | -56.1 | 0 | 0 | 0 | 109 | K72 A74 V102 | K72-I104 HydrophobicContact CB-CG2 3.96Å; A74-I104 HydrophobicContact CB-CB 4.39Å; A74-I104 HydrophobicContact CB-CG1 4.27Å; A74-I104 PolarHBondContact O-N 3.01Å; V102-I104 HydrophobicContact CG1-CD1 4.28Å; V102-I104 HydrophobicContact CG1-CG1 3.79Å |
| 105 | G | 93.6 | Very high | 97.1 | Very high | 36 Ų | 36 | 57.2 Ų | 57.2 | 37% | 0.371 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -3.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N103 Y107 | N103-G105 PolarHBondContact O-N 3.08Å; N103-G105 VanDerWaalsContact O-N 3.14Å; G105-Y107 VanDerWaalsContact C-N 3.3Å; G105-Y107 WeakPolarHBondContact O-CD2 3.48Å; G105-Y107 WeakPolarHBondContact O-CE1 2.91Å; G105-Y107 VanDerWaalsContact O-CE2 3.3Å; G105-Y107 WeakPolarHBondContact O-CE2 3.36Å; G105-Y107 PolarHBondContact O-N 3.37Å |
| 106 | N | 96.4 | Very high | 97.1 | Very high | 132 Ų | 132 | 57.3 Ų | 57.3 | 71% | 0.706 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 57 | 39 | 178.7 | -59.7 | -42.1 | 0 | 0 | 0 | 114.1 | N103 | N103-N106 PolarHBondContact O-N 3.28Å; N103-N106 PolarHBondContact O-OD1 2.87Å; N103-N106 WeakPolarHBondContact OD1-CA 3.35Å |
| 107 | Y | 97.4 | Very high | 97.1 | Very high | 82 Ų | 82 | 54.2 Ų | 54.2 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | trans | -98 | -3.8 | -176.7 | -63.2 | -55.8 | 0 | 0 | 0 | 114 | V73 N103 G105 F114 L115 P117 | V73-Y107 HydrophobicContact CG1-CD2 3.96Å; V73-Y107 HydrophobicContact CG2-CD2 4.29Å; V73-Y107 HydrophobicContact CG2-CE2 4.23Å; N103-Y107 PolarHBondContact OD1-N 2.87Å; G105-Y107 VanDerWaalsContact C-N 3.3Å; G105-Y107 WeakPolarHBondContact O-CD2 3.48Å; G105-Y107 WeakPolarHBondContact O-CE1 2.91Å; G105-Y107 VanDerWaalsContact O-CE2 3.3Å; G105-Y107 WeakPolarHBondContact O-CE2 3.36Å; G105-Y107 PolarHBondContact O-N 3.37Å; Y107-F114 CarbonylContact O-C 3.56Å; Y107-F114 WeakPolarHBondContact O-CA 3.38Å; Y107-L115 WeakPolarHBondContact CB-O 3.29Å; Y107-L115 PolarHBondContact O-N 2.64Å; Y107-P117 HydrophobicContact CD1-CB 3.83Å; Y107-P117 HydrophobicContact CD1-CG 4.31Å; Y107-P117 HydrophobicContact CD2-CB 3.94Å; Y107-P117 HydrophobicContact CD2-CG 3.66Å; Y107-P117 HydrophobicContact CE1-CB 3.47Å; Y107-P117 VanDerWaalsContact CE1-CB 3.47Å; Y107-P117 HydrophobicContact CE1-CG 4.28Å; Y107-P117 HydrophobicContact CE2-CB 3.54Å; Y107-P117 HydrophobicContact CE2-CG 3.55Å; Y107-P117 HydrophobicContact CG-CB 4.07Å; Y107-P117 HydrophobicContact CG-CG 4.04Å | ||
| 108 | F | 98.5 | Very high | 97 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -99.2 | 118.8 | 168.4 | -169.7 | -105.2 | 0 | 0 | 0 | 109.8 | F75 A77 V100 N103 S112 V113 F114 F195 | F75-F108 HydrophobicContact CB-CB 3.7Å; F75-F108 HydrophobicContact CB-CG 4.18Å; F75-F108 HydrophobicContact CD1-CD2 4.46Å; F75-F108 HydrophobicContact CD2-CB 4.08Å; F75-F108 HydrophobicContact CD2-CD1 4.26Å; F75-F108 AromaticContact CD2-CD2 3.34Å; F75-F108 HydrophobicContact CD2-CD2 3.34Å; F75-F108 AromaticContact CD2-CE2 3.71Å; F75-F108 HydrophobicContact CD2-CE2 3.71Å; F75-F108 AromaticContact CD2-CG 3.64Å; F75-F108 HydrophobicContact CD2-CG 3.64Å; F75-F108 HydrophobicContact CD2-CZ 4.28Å; F75-F108 AromaticContact CE2-CD2 3.51Å; F75-F108 HydrophobicContact CE2-CD2 3.51Å; F75-F108 AromaticContact CE2-CE2 3.5Å; F75-F108 HydrophobicContact CE2-CE2 3.5Å; F75-F108 HydrophobicContact CE2-CG 4.27Å; F75-F108 HydrophobicContact CE2-CZ 4.25Å; F75-F108 HydrophobicContact CG-CB 3.89Å; F75-F108 AromaticContact CG-CD2 3.86Å; F75-F108 HydrophobicContact CG-CD2 3.86Å; F75-F108 AromaticContact CG-CG 3.98Å; F75-F108 HydrophobicContact CG-CG 3.98Å; F75-F108 HydrophobicContact CZ-CD2 4.16Å; F75-F108 HydrophobicContact CZ-CE2 4.28Å; A77-F108 HydrophobicContact CB-CD1 4.29Å; A77-F108 HydrophobicContact CB-CE1 3.53Å; A77-F108 HydrophobicContact CB-CZ 3.9Å; V100-F108 HydrophobicContact CG1-CD1 4.48Å; V100-F108 HydrophobicContact CG2-CD1 3.97Å; V100-F108 HydrophobicContact CG2-CE1 4.14Å; N103-F108 PolarHBondContact ND2-O 2.8Å; N103-F108 PolarHBondContact OD1-N 3.3Å; N103-F108 VanDerWaalsContact OD1-N 3.14Å; F108-S112 VanDerWaalsContact CZ-CA 3.42Å; F108-V113 WeakPolarHBondContact CA-O 3.3Å; F108-F114 HydrophobicContact CD2-CB 4.13Å; F108-F195 AromaticContact CE2-CD1 3.78Å; F108-F195 HydrophobicContact CE2-CD1 3.78Å; F108-F195 AromaticContact CE2-CE1 3.84Å; F108-F195 HydrophobicContact CE2-CE1 3.84Å; F108-F195 HydrophobicContact CZ-CD1 4.11Å |
| 109 | T | 97.4 | Very high | 97.1 | Very high | 36 Ų | 36 | 59.3 Ų | 59.3 | 22% | 0.221 | 30% | 0.303 | C | S | . | . | trans | -86.1 | 164.9 | -174.9 | 79.3 | 0 | 0 | 0 | 0 | 112 | E111 S112 V113 L115 | T109-E111 WeakPolarHBondContact CB-OE2 3.35Å; T109-E111 PolarHBondContact O-N 2.88Å; T109-E111 PolarHBondContact OG1-N 2.83Å; T109-E111 PolarHBondContact OG1-OE2 2.83Å; T109-S112 PolarHBondContact O-N 2.89Å; T109-V113 PolarHBondContact N-O 2.87Å; T109-V113 PolarHBondContact OG1-O 2.85Å; T109-L115 HydrophobicContact CG2-CD1 3.82Å; T109-L115 HydrophobicContact CG2-CG 4.11Å | ||
| 110 | F | 94.3 | Very high | 97 | Very high | 157 Ų | 157 | 55.1 Ų | 55.1 | 69% | 0.689 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -25.3 | 177.2 | 67.7 | -90.5 | 0 | 0 | 0 | 112 | Y96 S112 | Y96-F110 WeakPolarHBondContact CE2-O 3.3Å; F110-S112 PolarHBondContact O-N 3.11Å; F110-S112 VanDerWaalsContact O-N 3.08Å |
| 111 | E | 94.8 | Very high | 96.9 | Very high | 86 Ų | 86 | 53.3 Ų | 53.3 | 40% | 0.402 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 8.8 | 173.1 | -53.4 | 91.2 | 156.4 | 0 | 0 | 113.7 | T109 V113 | T109-E111 WeakPolarHBondContact CB-OE2 3.35Å; T109-E111 PolarHBondContact O-N 2.88Å; T109-E111 PolarHBondContact OG1-N 2.83Å; T109-E111 PolarHBondContact OG1-OE2 2.83Å; E111-V113 VanDerWaalsContact C-N 3.33Å; E111-V113 HydrophobicContact CB-CG2 4.26Å |
| 112 | S | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 63.4 | 36.5 | -177.6 | -57.3 | 0 | 0 | 0 | 0 | 113.6 | I95 Y96 F97 F108 T109 F110 | I95-S112 WeakPolarHBondContact O-CB 3.06Å; Y96-S112 WeakPolarHBondContact CA-OG 3.24Å; F97-S112 PolarHBondContact N-OG 3.29Å; F108-S112 VanDerWaalsContact CZ-CA 3.42Å; T109-S112 PolarHBondContact O-N 2.89Å; F110-S112 PolarHBondContact O-N 3.11Å; F110-S112 VanDerWaalsContact O-N 3.08Å |
| 113 | V | 98.5 | Very high | 96.9 | Very high | 18 Ų | 18 | 46.3 Ų | 46.3 | 11% | 0.109 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.7 | 177.8 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | F108 T109 E111 L115 K176 Y178 | F108-V113 WeakPolarHBondContact CA-O 3.3Å; T109-V113 PolarHBondContact N-O 2.87Å; T109-V113 PolarHBondContact OG1-O 2.85Å; E111-V113 VanDerWaalsContact C-N 3.33Å; E111-V113 HydrophobicContact CB-CG2 4.26Å; V113-L115 HydrophobicContact CG1-CD2 4.19Å; V113-K176 HydrophobicContact CG1-CB 4.04Å; V113-Y178 HydrophobicContact CG1-CD1 4.3Å; V113-Y178 HydrophobicContact CG2-CD1 4.46Å; V113-Y178 HydrophobicContact CG2-CG 4.34Å |
| 114 | F | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 130.4 | 168.1 | 177.9 | -101 | 0 | 0 | 0 | 110.1 | V73 F75 Y107 F108 Y122 F124 L171 K176 V177 | V73-F114 HydrophobicContact CG1-CE2 3.8Å; V73-F114 HydrophobicContact CG1-CZ 3.75Å; F75-F114 HydrophobicContact CD1-CB 4.45Å; F75-F114 AromaticContact CD1-CD2 3.38Å; F75-F114 HydrophobicContact CD1-CD2 3.38Å; F75-F114 AromaticContact CD1-CE2 3.86Å; F75-F114 HydrophobicContact CD1-CE2 3.86Å; F75-F114 HydrophobicContact CD1-CG 4.1Å; F75-F114 HydrophobicContact CE1-CB 3.93Å; F75-F114 AromaticContact CE1-CD2 3.54Å; F75-F114 HydrophobicContact CE1-CD2 3.54Å; F75-F114 HydrophobicContact CE1-CE2 4.2Å; F75-F114 AromaticContact CE1-CG 3.76Å; F75-F114 HydrophobicContact CE1-CG 3.76Å; F75-F114 HydrophobicContact CG-CD2 4.28Å; F75-F114 HydrophobicContact CZ-CB 4.2Å; Y107-F114 CarbonylContact O-C 3.56Å; Y107-F114 WeakPolarHBondContact O-CA 3.38Å; F108-F114 HydrophobicContact CD2-CB 4.13Å; F114-Y122 AromaticContact CE1-CD1 3.99Å; F114-Y122 HydrophobicContact CE1-CD1 3.99Å; F114-Y122 HydrophobicContact CE1-CE1 4.03Å; F114-Y122 AromaticContact CZ-CD1 3.92Å; F114-Y122 HydrophobicContact CZ-CD1 3.92Å; F114-Y122 AromaticContact CZ-CE1 3.75Å; F114-Y122 HydrophobicContact CZ-CE1 3.75Å; F114-F124 HydrophobicContact CB-CE1 4.39Å; F114-F124 AromaticContact CD1-CE1 3.74Å; F114-F124 HydrophobicContact CD1-CE1 3.74Å; F114-F124 AromaticContact CD1-CZ 3.69Å; F114-F124 HydrophobicContact CD1-CZ 3.69Å; F114-F124 HydrophobicContact CE1-CE1 4.24Å; F114-F124 AromaticContact CE1-CZ 3.91Å; F114-F124 HydrophobicContact CE1-CZ 3.91Å; F114-F124 HydrophobicContact CG-CE1 4.1Å; F114-F124 HydrophobicContact CG-CZ 4.5Å; F114-L171 HydrophobicContact CE1-CD1 4.14Å; F114-K176 WeakPolarHBondContact O-CA 3.29Å; F114-V177 HydrophobicContact CB-CB 4.36Å; F114-V177 HydrophobicContact CD1-CB 4.35Å; F114-V177 PolarHBondContact N-O 2.94Å; F114-V177 PolarHBondContact O-N 2.92Å |
| 115 | L | 98.4 | Very high | 97 | Very high | 62 Ų | 62 | 43.2 Ų | 43.2 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 114.7 | 175.5 | -62.7 | 178.2 | 0 | 0 | 0 | 109.5 | Y107 T109 V113 P117 K176 | Y107-L115 WeakPolarHBondContact CB-O 3.29Å; Y107-L115 PolarHBondContact O-N 2.64Å; T109-L115 HydrophobicContact CG2-CD1 3.82Å; T109-L115 HydrophobicContact CG2-CG 4.11Å; V113-L115 HydrophobicContact CG1-CD2 4.19Å; L115-P117 VanDerWaalsContact O-CD 3.28Å; L115-P117 WeakPolarHBondContact O-CD 3.3Å; L115-K176 HydrophobicContact CD2-CB 4.35Å; L115-K176 HydrophobicContact CD2-CD 4.08Å; L115-K176 HydrophobicContact CD2-CG 3.63Å |
| 116 | S | 97.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | trans | -63.3 | 120 | 179.3 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | R118 Y122 E172 K173 E174 D175 | S116-R118 VanDerWaalsContact C-N 3.31Å; S116-R118 PolarHBondContact O-N 2.94Å; S116-R118 PolarHBondContact OG-O 2.82Å; S116-Y122 PolarHBondContact OG-OH 2.83Å; S116-E172 WeakPolarHBondContact CB-O 2.84Å; S116-E172 PolarHBondContact OG-O 3.29Å; S116-K173 CarbonylContact O-C 3.6Å; S116-E174 PolarHBondContact O-N 3.2Å; S116-D175 PolarHBondContact N-O 3.1Å | ||
| 117 | P | 96.6 | Very high | 97.3 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 16% | 0.162 | 18% | 0.184 | C | C | . | . | trans | -77.4 | -19.3 | -179.1 | 29 | -35.4 | 0 | 0 | 0 | 113.9 | V73 Y107 L115 Y122 K173 | V73-P117 HydrophobicContact CG1-CG 4.22Å; V73-P117 HydrophobicContact CG2-CG 3.68Å; Y107-P117 HydrophobicContact CD1-CB 3.83Å; Y107-P117 HydrophobicContact CD1-CG 4.31Å; Y107-P117 HydrophobicContact CD2-CB 3.94Å; Y107-P117 HydrophobicContact CD2-CG 3.66Å; Y107-P117 HydrophobicContact CE1-CB 3.47Å; Y107-P117 VanDerWaalsContact CE1-CB 3.47Å; Y107-P117 HydrophobicContact CE1-CG 4.28Å; Y107-P117 HydrophobicContact CE2-CB 3.54Å; Y107-P117 HydrophobicContact CE2-CG 3.55Å; Y107-P117 HydrophobicContact CG-CB 4.07Å; Y107-P117 HydrophobicContact CG-CG 4.04Å; L115-P117 VanDerWaalsContact O-CD 3.28Å; L115-P117 WeakPolarHBondContact O-CD 3.3Å; P117-Y122 WeakPolarHBondContact CD-OH 3.11Å; P117-K173 WeakPolarHBondContact O-CG 3.48Å | ||
| 118 | R | 95.4 | Very high | 97.3 | Very high | 82 Ų | 82 | 34.9 Ų | 34.9 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -163.3 | 161.8 | -173.3 | 65.7 | -177.2 | -61.9 | 169.8 | 2.2 | 111.5 | S116 Y122 P202 | S116-R118 VanDerWaalsContact C-N 3.31Å; S116-R118 PolarHBondContact O-N 2.94Å; S116-R118 PolarHBondContact OG-O 2.82Å; R118-Y122 PolarHBondContact O-OH 3.3Å; R118-P202 VanDerWaalsContact CZ-CB 3.42Å |
| 119 | K | 97.1 | Very high | 97 | Very high | 82 Ų | 82 | 36.4 Ų | 36.4 | 36% | 0.357 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -60 | 134.3 | 171.8 | -171.6 | 178.9 | 153.3 | 142 | 0 | 111.9 | Y170 L171 E172 L203 | K119-Y170 VanDerWaalsContact CD-OH 3.3Å; K119-Y170 WeakPolarHBondContact CD-OH 3.46Å; K119-Y170 WeakPolarHBondContact CE-OH 3.33Å; K119-Y170 HydrophobicContact CG-CE2 4.21Å; K119-Y170 PolarHBondContact NZ-OH 3.01Å; K119-L171 VanDerWaalsContact CA-O 3.24Å; K119-L171 WeakPolarHBondContact CA-O 3.49Å; K119-E172 IonicContact NZ-OE1 3.95Å; K119-L203 HydrophobicContact CD-CB 4.41Å; K119-L203 HydrophobicContact CG-CB 4.11Å; K119-L203 PolarHBondContact O-N 3.49Å; K119-L203 VanDerWaalsContact O-N 3.11Å |
| 120 | G | 95.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.9 | -178.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y170 L171 F201 | G120-Y170 WeakPolarHBondContact O-CA 3.4Å; G120-L171 PolarHBondContact N-O 2.95Å; G120-L171 VanDerWaalsContact N-O 3.08Å; G120-L171 PolarHBondContact O-N 2.98Å; G120-F201 WeakPolarHBondContact CA-O 3.42Å |
| 121 | V | 96.8 | Very high | 95.6 | Very high | 25 Ų | 25 | 27.6 Ų | 27.6 | 15% | 0.152 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.8 | 172.8 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | L168 L169 V200 F201 L203 | V121-L168 HydrophobicContact CG1-CB 4.3Å; V121-L169 CarbonylContact C-O 3.49Å; V121-L169 WeakPolarHBondContact CA-O 2.97Å; V121-V200 HydrophobicContact CG1-CG2 4.48Å; V121-V200 WeakPolarHBondContact O-CB 3.44Å; V121-V200 PolarHBondContact O-N 3.07Å; V121-F201 HydrophobicContact CB-CD2 4.35Å; V121-F201 HydrophobicContact CB-CE1 4.26Å; V121-F201 HydrophobicContact CB-CE2 3.82Å; V121-F201 HydrophobicContact CB-CZ 3.76Å; V121-F201 HydrophobicContact CG1-CZ 4.33Å; V121-F201 HydrophobicContact CG2-CD2 4.34Å; V121-F201 HydrophobicContact CG2-CE2 3.46Å; V121-F201 VanDerWaalsContact CG2-CE2 3.46Å; V121-F201 HydrophobicContact CG2-CZ 3.58Å; V121-F201 PolarHBondContact N-O 3.07Å; V121-L203 HydrophobicContact CG2-CD1 4.34Å |
| 122 | Y | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 144.1 | -176.3 | -66.2 | -100.1 | 0 | 0 | 0 | 110.8 | V73 F114 S116 P117 R118 L168 L169 L171 F198 L199 | V73-Y122 HydrophobicContact CG1-CE1 4.14Å; F114-Y122 AromaticContact CE1-CD1 3.99Å; F114-Y122 HydrophobicContact CE1-CD1 3.99Å; F114-Y122 HydrophobicContact CE1-CE1 4.03Å; F114-Y122 AromaticContact CZ-CD1 3.92Å; F114-Y122 HydrophobicContact CZ-CD1 3.92Å; F114-Y122 AromaticContact CZ-CE1 3.75Å; F114-Y122 HydrophobicContact CZ-CE1 3.75Å; S116-Y122 PolarHBondContact OG-OH 2.83Å; P117-Y122 WeakPolarHBondContact CD-OH 3.11Å; R118-Y122 PolarHBondContact O-OH 3.3Å; Y122-L168 CarbonylContact O-C 3.56Å; Y122-L168 VanDerWaalsContact O-CA 3.26Å; Y122-L168 WeakPolarHBondContact O-CA 3.45Å; Y122-L169 PolarHBondContact N-O 2.95Å; Y122-L169 PolarHBondContact O-N 3.43Å; Y122-L171 HydrophobicContact CD2-CB 3.76Å; Y122-L171 HydrophobicContact CD2-CD1 3.6Å; Y122-L171 HydrophobicContact CD2-CG 3.73Å; Y122-L171 HydrophobicContact CE2-CB 3.83Å; Y122-L171 HydrophobicContact CE2-CD1 4.11Å; Y122-L171 HydrophobicContact CE2-CG 4.28Å; Y122-L171 HydrophobicContact CG-CD1 3.82Å; Y122-L171 HydrophobicContact CG-CG 4.35Å; Y122-F198 CarbonylContact C-O 3.59Å; Y122-F198 VanDerWaalsContact CA-O 3.29Å; Y122-F198 WeakPolarHBondContact CA-O 3.37Å; Y122-L199 HydrophobicContact CD1-CB 3.96Å; Y122-L199 HydrophobicContact CD1-CD1 4.23Å; Y122-L199 HydrophobicContact CD2-CD1 4.24Å; Y122-L199 HydrophobicContact CE1-CB 3.68Å; Y122-L199 HydrophobicContact CE1-CD1 3.84Å; Y122-L199 HydrophobicContact CE1-CG 4.29Å; Y122-L199 HydrophobicContact CE2-CD1 3.86Å; Y122-L199 HydrophobicContact CG-CD1 4.42Å |
| 123 | S | 98 | Very high | 92.7 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 136.9 | 170.7 | -173.5 | 0 | 0 | 0 | 0 | 110 | G197 F198 | S123-G197 CarbonylContact O-C 3.5Å; S123-G197 WeakPolarHBondContact O-CA 3.44Å; S123-F198 PolarHBondContact N-O 3.07Å; S123-F198 PolarHBondContact O-N 2.74Å |
| 124 | F | 98.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137.5 | 172.4 | -62.2 | -83.4 | 0 | 0 | 0 | 110.3 | F75 F114 L141 G166 V167 L169 L171 V177 F195 S196 | F75-F124 HydrophobicContact CE1-CD1 4.04Å; F75-F124 AromaticContact CE1-CE1 3.77Å; F75-F124 HydrophobicContact CE1-CE1 3.77Å; F75-F124 HydrophobicContact CZ-CD1 4.05Å; F75-F124 HydrophobicContact CZ-CE1 4.12Å; F114-F124 HydrophobicContact CB-CE1 4.39Å; F114-F124 AromaticContact CD1-CE1 3.74Å; F114-F124 HydrophobicContact CD1-CE1 3.74Å; F114-F124 AromaticContact CD1-CZ 3.69Å; F114-F124 HydrophobicContact CD1-CZ 3.69Å; F114-F124 HydrophobicContact CE1-CE1 4.24Å; F114-F124 AromaticContact CE1-CZ 3.91Å; F114-F124 HydrophobicContact CE1-CZ 3.91Å; F114-F124 HydrophobicContact CG-CE1 4.1Å; F114-F124 HydrophobicContact CG-CZ 4.5Å; F124-L141 HydrophobicContact CB-CD1 3.62Å; F124-L141 HydrophobicContact CG-CD1 4.14Å; F124-G166 CarbonylContact O-C 3.54Å; F124-G166 WeakPolarHBondContact O-CA 3.34Å; F124-V167 PolarHBondContact N-O 3.31Å; F124-V167 PolarHBondContact O-N 2.81Å; F124-L169 HydrophobicContact CD2-CD1 4.03Å; F124-L169 HydrophobicContact CD2-CG 4.33Å; F124-L169 HydrophobicContact CE2-CB 4.36Å; F124-L169 HydrophobicContact CE2-CD1 4.13Å; F124-L171 HydrophobicContact CE2-CD1 3.89Å; F124-L171 HydrophobicContact CZ-CD1 3.78Å; F124-V177 HydrophobicContact CD1-CG1 4.01Å; F124-V177 HydrophobicContact CD2-CG1 4.38Å; F124-V177 HydrophobicContact CE1-CB 4.01Å; F124-V177 HydrophobicContact CE1-CG1 3.8Å; F124-V177 HydrophobicContact CE1-CG2 4.39Å; F124-V177 HydrophobicContact CE2-CG1 4.2Å; F124-V177 HydrophobicContact CE2-CG2 4.13Å; F124-V177 HydrophobicContact CG-CG1 4.29Å; F124-V177 HydrophobicContact CZ-CB 3.93Å; F124-V177 HydrophobicContact CZ-CG1 3.92Å; F124-V177 HydrophobicContact CZ-CG2 3.8Å; F124-F195 HydrophobicContact CB-CE2 4.48Å; F124-F195 HydrophobicContact CD1-CE2 4.06Å; F124-F195 HydrophobicContact CD1-CZ 4.21Å; F124-S196 WeakPolarHBondContact CA-O 3.48Å |
| 125 | N | 98.3 | Very high | 90.3 | Very high | 63 Ų | 63 | 41.7 Ų | 41.7 | 34% | 0.337 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142.9 | 170.8 | -74.9 | -74.2 | 0 | 0 | 0 | 109.5 | S196 | N125-S196 PolarHBondContact N-O 2.88Å; N125-S196 PolarHBondContact O-N 3.17Å |
| 126 | F | 98.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 151.1 | 172.8 | 70.5 | -92.4 | 0 | 0 | 0 | 112.1 | V128 V139 L141 I149 A151 A163 T164 N165 L179 T194 F195 | F126-V128 HydrophobicContact CD2-CG2 4.18Å; F126-V139 HydrophobicContact CD2-CG1 4.15Å; F126-V139 HydrophobicContact CE2-CB 4.06Å; F126-V139 HydrophobicContact CE2-CG1 3.68Å; F126-V139 HydrophobicContact CZ-CG1 4.21Å; F126-L141 HydrophobicContact CD1-CB 4.49Å; F126-L141 HydrophobicContact CD1-CD1 4.31Å; F126-L141 HydrophobicContact CE1-CB 4.07Å; F126-I149 HydrophobicContact CE1-CD1 3.9Å; F126-I149 HydrophobicContact CE1-CG1 4.36Å; F126-A151 HydrophobicContact CE2-CB 3.71Å; F126-A151 HydrophobicContact CZ-CB 3.73Å; F126-A163 WeakPolarHBondContact CE2-O 3.26Å; F126-T164 WeakPolarHBondContact O-CA 3.48Å; F126-N165 WeakPolarHBondContact CD1-O 3.48Å; F126-N165 HydrophobicContact CE1-CB 3.82Å; F126-N165 HydrophobicContact CE2-CB 4.49Å; F126-N165 HydrophobicContact CZ-CB 3.7Å; F126-N165 PolarHBondContact N-O 3.2Å; F126-N165 PolarHBondContact O-N 3.35Å; F126-L179 HydrophobicContact CB-CD1 3.54Å; F126-L179 HydrophobicContact CB-CD2 4.1Å; F126-L179 HydrophobicContact CB-CG 4.44Å; F126-L179 HydrophobicContact CD1-CD2 3.68Å; F126-L179 HydrophobicContact CD2-CD1 4.16Å; F126-L179 HydrophobicContact CD2-CD2 4.41Å; F126-L179 HydrophobicContact CE1-CD2 4.16Å; F126-L179 HydrophobicContact CG-CD1 3.86Å; F126-L179 HydrophobicContact CG-CD2 3.81Å; F126-T194 WeakPolarHBondContact CA-O 3.17Å; F126-F195 HydrophobicContact CB-CD2 4Å |
| 127 | H | 97.8 | Very high | 89.6 | Confident | 76 Ų | 76 | 42.2 Ų | 42.2 | 35% | 0.352 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 110.1 | 173 | -57.5 | -91.5 | 0 | 0 | 0 | 106.6 | T164 S193 T194 | H127-T164 WeakPolarHBondContact CE1-CG2 3.33Å; H127-T164 WeakPolarHBondContact ND1-CG2 3.15Å; H127-T164 PolarHBondContact ND1-OG1 2.99Å; H127-S193 CarbonylContact O-C 3.59Å; H127-S193 WeakPolarHBondContact O-CA 3.29Å; H127-S193 WeakPolarHBondContact O-CB 3.4Å; H127-T194 PolarHBondContact CD2-OG1 3.09Å; H127-T194 VanDerWaalsContact CD2-OG1 3.29Å; H127-T194 PolarHBondContact N-O 2.76Å; H127-T194 PolarHBondContact O-N 3.17Å |
| 128 | V | 96.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 108.1 | 175.7 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | I95 F126 I137 V139 A162 A163 L179 L186 S193 | I95-V128 HydrophobicContact CD1-CG1 4.22Å; I95-V128 HydrophobicContact CD1-CG2 3.93Å; F126-V128 HydrophobicContact CD2-CG2 4.18Å; V128-I137 HydrophobicContact CG1-CD1 4.4Å; V128-V139 HydrophobicContact CB-CG2 4.04Å; V128-V139 HydrophobicContact CG1-CG2 4.12Å; V128-V139 HydrophobicContact CG2-CG1 4.02Å; V128-V139 HydrophobicContact CG2-CG2 4.18Å; V128-A162 CarbonylContact O-C 3.53Å; V128-A162 WeakPolarHBondContact O-CA 3.39Å; V128-A163 HydrophobicContact CB-CB 4.47Å; V128-A163 PolarHBondContact N-O 3.34Å; V128-A163 PolarHBondContact O-N 3.17Å; V128-L179 HydrophobicContact CG2-CD1 4.15Å; V128-L186 HydrophobicContact CG1-CD2 4.16Å; V128-S193 WeakPolarHBondContact CA-OG 3.41Å |
| 129 | I | 92.6 | Very high | 89.7 | Confident | 40 Ų | 40 | 38.3 Ų | 38.3 | 21% | 0.205 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.6 | -177.9 | -63.6 | 172.6 | 0 | 0 | 0 | 108.1 | A162 W190 S193 | I129-A162 HydrophobicContact CG1-CB 3.96Å; I129-W190 CarbonylContact O-C 3.56Å; I129-W190 WeakPolarHBondContact O-CA 2.97Å; I129-W190 VanDerWaalsContact O-CB 3.25Å; I129-W190 WeakPolarHBondContact O-CB 3.39Å; I129-S193 PolarHBondContact N-OG 2.87Å; I129-S193 PolarHBondContact O-OG 2.92Å |
| 130 | K | 86 | Confident | 89.8 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.9 | 170.2 | -175.1 | 173.2 | 179.3 | 177.2 | 0 | 109.6 | I137 R160 E161 N185 L186 | K130-I137 HydrophobicContact CB-CD1 4.19Å; K130-I137 HydrophobicContact CD-CG2 3.9Å; K130-R160 WeakPolarHBondContact O-CA 3.25Å; K130-E161 PolarHBondContact N-O 2.83Å; K130-E161 PolarHBondContact O-N 3.25Å; K130-N185 WeakPolarHBondContact CE-O 3.34Å; K130-N185 PolarHBondContact NZ-O 2.96Å; K130-N185 PolarHBondContact NZ-OD1 2.86Å; K130-N185 VanDerWaalsContact NZ-OD1 3.13Å; K130-L186 HydrophobicContact CD-CD2 4.48Å |
| 131 | V | 75.7 | Confident | 89.9 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 140.4 | 172.1 | -167.8 | 0 | 0 | 0 | 0 | 107.8 | R160 | V131-R160 HydrophobicContact CB-CG 4.42Å; V131-R160 HydrophobicContact CG1-CG 4.04Å; V131-R160 HydrophobicContact CG2-CG 4.18Å |
| 132 | Y | 66.4 | Low | 90 | Very high | 176 Ų | 176 | 33.7 Ų | 33.7 | 69% | 0.69 | 17% | 0.173 | S | C | * | . | S | Bend | trans | 65.8 | 86.8 | -178.1 | -51.3 | -71.8 | 0 | 0 | 0 | 113.1 | T159 | Y132-T159 PolarHBondContact N-O 2.83Å; Y132-T159 VanDerWaalsContact N-O 3.1Å |
| 133 | Q | 64.7 | Low | 90.1 | Very high | 20 Ų | 20 | 35.4 Ų | 35.4 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | trans | -102.2 | 99.8 | -170.1 | -164.7 | 159.9 | 9.6 | 0 | 0 | 111.6 | A153 E161 | Q133-A153 PolarHBondContact NE2-O 3.48Å; Q133-A153 VanDerWaalsContact NE2-O 3.17Å; Q133-E161 PolarHBondContact NE2-OE2 3.43Å; Q133-E161 PolarHBondContact OE1-OE2 3.14Å | ||
| 134 | S | 67.3 | Low | 90.1 | Very high | 110 Ų | 110 | 38.9 Ų | 38.9 | 77% | 0.769 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -100 | -10.3 | 167.3 | 59.5 | 0 | 0 | 0 | 0 | 113 | ||
| 135 | Q | 80.1 | Confident | 90.1 | Very high | 94 Ų | 94 | 41 Ų | 41 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -147.7 | 138.6 | -173.7 | -168.6 | 178.2 | 30.4 | 0 | 0 | 111.9 | N185 | Q135-N185 PolarHBondContact OE1-ND2 2.68Å; Q135-N185 VanDerWaalsContact OE1-ND2 3.07Å |
| 136 | T | 88.5 | Confident | 90.1 | Very high | 76 Ų | 76 | 45.4 Ų | 45.4 | 47% | 0.466 | 24% | 0.237 | S | C | . | . | trans | -60.6 | 132.1 | 170.6 | -47.7 | 0 | 0 | 0 | 0 | 111.8 | A153 | T136-A153 CarbonylContact C-O 3.54Å; T136-A153 VanDerWaalsContact CA-O 3.28Å; T136-A153 WeakPolarHBondContact CA-O 3.22Å | ||
| 137 | I | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 148.6 | 171.6 | 62.5 | 168.8 | 0 | 0 | 0 | 110.9 | V128 K130 V139 F152 A153 A163 L181 K183 N185 L186 | V128-I137 HydrophobicContact CG1-CD1 4.4Å; K130-I137 HydrophobicContact CB-CD1 4.19Å; K130-I137 HydrophobicContact CD-CG2 3.9Å; I137-V139 HydrophobicContact CD1-CG2 4.34Å; I137-F152 WeakPolarHBondContact O-CA 3.09Å; I137-A153 HydrophobicContact CD1-CB 4.16Å; I137-A153 HydrophobicContact CG1-CB 3.81Å; I137-A153 WeakPolarHBondContact CG1-O 3.37Å; I137-A153 PolarHBondContact N-O 3.09Å; I137-A153 PolarHBondContact O-N 3.48Å; I137-A153 VanDerWaalsContact O-N 3.17Å; I137-A163 HydrophobicContact CD1-CB 4.28Å; I137-L181 HydrophobicContact CB-CD1 4.02Å; I137-L181 HydrophobicContact CG2-CD1 4.27Å; I137-K183 WeakPolarHBondContact CA-O 3.35Å; I137-N185 WeakPolarHBondContact CG2-O 3.44Å; I137-L186 HydrophobicContact CD1-CD2 4.23Å |
| 138 | Q | 96.1 | Very high | 90.1 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121.5 | 168.5 | 178.8 | -179.2 | -11 | 0 | 0 | 108.7 | N140 A151 F152 E182 K183 | Q138-N140 PolarHBondContact NE2-OD1 3.42Å; Q138-N140 VanDerWaalsContact NE2-OD1 3.16Å; Q138-A151 WeakPolarHBondContact CA-O 3.14Å; Q138-F152 HydrophobicContact CB-CD1 3.85Å; Q138-F152 HydrophobicContact CB-CE1 3.75Å; Q138-F152 VanDerWaalsContact CD-CE1 3.44Å; Q138-F152 HydrophobicContact CG-CD1 3.92Å; Q138-F152 HydrophobicContact CG-CE1 3.42Å; Q138-F152 VanDerWaalsContact CG-CE1 3.42Å; Q138-F152 HydrophobicContact CG-CZ 3.92Å; Q138-E182 HydrophobicContact CB-CB 4.43Å; Q138-E182 HydrophobicContact CG-CB 4.2Å; Q138-E182 PolarHBondContact O-N 3.23Å; Q138-K183 HydrophobicContact CB-CB 3.8Å; Q138-K183 HydrophobicContact CB-CD 4.42Å; Q138-K183 HydrophobicContact CB-CG 4.13Å; Q138-K183 PolarHBondContact N-O 2.73Å; Q138-K183 VanDerWaalsContact N-O 3.07Å; Q138-K183 PolarHBondContact O-N 2.99Å |
| 139 | V | 98.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.9 | 177.6 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | I95 F126 V128 I137 S150 A151 A163 L179 L181 | I95-V139 HydrophobicContact CD1-CB 4.38Å; I95-V139 HydrophobicContact CD1-CG1 3.68Å; I95-V139 HydrophobicContact CD1-CG2 3.85Å; F126-V139 HydrophobicContact CD2-CG1 4.15Å; F126-V139 HydrophobicContact CE2-CB 4.06Å; F126-V139 HydrophobicContact CE2-CG1 3.68Å; F126-V139 HydrophobicContact CZ-CG1 4.21Å; V128-V139 HydrophobicContact CB-CG2 4.04Å; V128-V139 HydrophobicContact CG1-CG2 4.12Å; V128-V139 HydrophobicContact CG2-CG1 4.02Å; V128-V139 HydrophobicContact CG2-CG2 4.18Å; I137-V139 HydrophobicContact CD1-CG2 4.34Å; V139-S150 CarbonylContact O-C 3.49Å; V139-S150 VanDerWaalsContact O-CA 3.31Å; V139-S150 WeakPolarHBondContact O-CA 3.23Å; V139-A151 PolarHBondContact N-O 2.95Å; V139-A151 PolarHBondContact O-N 2.86Å; V139-A163 HydrophobicContact CB-CB 4.27Å; V139-A163 HydrophobicContact CG2-CB 3.95Å; V139-L179 HydrophobicContact CG1-CB 4.34Å; V139-L181 HydrophobicContact CG2-CD1 4.23Å |
| 140 | N | 98.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.027 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 135.5 | 176.5 | -67.4 | -13.6 | 0 | 0 | 0 | 110.1 | Q138 M142 P147 I149 S150 L179 K180 E182 | Q138-N140 PolarHBondContact NE2-OD1 3.42Å; Q138-N140 VanDerWaalsContact NE2-OD1 3.16Å; N140-M142 HydrophobicContact CB-SD 3.6Å; N140-M142 VanDerWaalsContact CB-SD 3.6Å; N140-P147 HydrophobicContact CB-CB 4.11Å; N140-I149 WeakPolarHBondContact CA-O 3.25Å; N140-S150 VanDerWaalsContact OD1-CB 3.26Å; N140-S150 WeakPolarHBondContact OD1-CB 3.43Å; N140-S150 PolarHBondContact OD1-OG 2.9Å; N140-L179 WeakPolarHBondContact O-CA 3.41Å; N140-K180 PolarHBondContact N-O 3.21Å; N140-K180 PolarHBondContact O-N 2.95Å; N140-E182 WeakPolarHBondContact ND2-CB 3.45Å |
| 141 | L | 98.8 | Very high | 91 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 121 | 159.7 | -175.7 | 141 | 0 | 0 | 0 | 108.1 | F124 F126 V148 I149 V167 L169 V177 L179 F195 | F124-L141 HydrophobicContact CB-CD1 3.62Å; F124-L141 HydrophobicContact CG-CD1 4.14Å; F126-L141 HydrophobicContact CD1-CB 4.49Å; F126-L141 HydrophobicContact CD1-CD1 4.31Å; F126-L141 HydrophobicContact CE1-CB 4.07Å; L141-V148 HydrophobicContact CD2-CB 4.23Å; L141-V148 PolarHBondContact O-N 3.02Å; L141-I149 HydrophobicContact CB-CD1 4.27Å; L141-I149 HydrophobicContact CB-CG1 3.66Å; L141-I149 HydrophobicContact CD2-CG1 4.5Å; L141-I149 PolarHBondContact N-O 2.94Å; L141-V167 HydrophobicContact CD2-CG1 4.24Å; L141-L169 HydrophobicContact CD2-CD1 3.74Å; L141-V177 HydrophobicContact CD1-CG1 4.15Å; L141-V177 HydrophobicContact CD2-CG1 3.87Å; L141-V177 HydrophobicContact CG-CG1 3.96Å; L141-L179 HydrophobicContact CB-CD2 4Å; L141-L179 HydrophobicContact CD1-CD2 4.22Å; L141-L179 HydrophobicContact CG-CD2 4.28Å; L141-F195 HydrophobicContact CD1-CE2 4.19Å |
| 142 | M | 98.8 | Very high | 91.9 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137.9 | -174.7 | -53.4 | -60.4 | -68.4 | 0 | 0 | 109.8 | N140 G145 K146 P147 V177 Y178 K180 | N140-M142 HydrophobicContact CB-SD 3.6Å; N140-M142 VanDerWaalsContact CB-SD 3.6Å; M142-G145 VanDerWaalsContact CE-C 3.48Å; M142-G145 WeakPolarHBondContact CE-O 3.43Å; M142-K146 CarbonylContact C-O 3.57Å; M142-K146 WeakPolarHBondContact CA-O 3.28Å; M142-P147 HydrophobicContact CE-CB 4.48Å; M142-P147 HydrophobicContact SD-CB 4.01Å; M142-V177 VanDerWaalsContact O-CA 3.28Å; M142-V177 WeakPolarHBondContact O-CA 3.43Å; M142-Y178 HydrophobicContact CB-CD1 4.16Å; M142-Y178 HydrophobicContact CB-CD2 4.01Å; M142-Y178 HydrophobicContact CB-CE1 3.86Å; M142-Y178 HydrophobicContact CB-CE2 3.72Å; M142-Y178 HydrophobicContact CB-CG 4.23Å; M142-Y178 WeakPolarHBondContact CB-O 3.14Å; M142-Y178 HydrophobicContact CG-CD2 4Å; M142-Y178 HydrophobicContact CG-CE2 3.63Å; M142-Y178 PolarHBondContact N-O 3.36Å; M142-Y178 PolarHBondContact O-N 2.87Å; M142-K180 HydrophobicContact CE-CD 4.12Å; M142-K180 HydrophobicContact CG-CB 3.56Å; M142-K180 HydrophobicContact CG-CD 4.47Å; M142-K180 HydrophobicContact SD-CB 3.94Å; M142-K180 HydrophobicContact SD-CD 4.23Å |
| 143 | L | 98.8 | Very high | 93.1 | Very high | 36 Ų | 36 | 47.1 Ų | 47.1 | 19% | 0.188 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116.4 | 165.2 | 172.9 | 58.2 | 0 | 0 | 0 | 108 | G145 K146 V148 L171 D175 K176 V177 | L143-G145 PolarHBondContact O-N 2.68Å; L143-G145 VanDerWaalsContact O-N 3.14Å; L143-K146 PolarHBondContact N-O 2.81Å; L143-K146 PolarHBondContact O-N 2.89Å; L143-V148 HydrophobicContact CB-CG2 3.48Å; L143-V148 VanDerWaalsContact CB-CG2 3.48Å; L143-V148 HydrophobicContact CD2-CG2 4.44Å; L143-L171 HydrophobicContact CD1-CD2 3.55Å; L143-L171 HydrophobicContact CD2-CD2 4.13Å; L143-L171 HydrophobicContact CG-CD2 4.48Å; L143-D175 HydrophobicContact CD1-CB 3.95Å; L143-K176 WeakPolarHBondContact CA-O 3.49Å; L143-V177 HydrophobicContact CD1-CG2 4.04Å |
| 144 | N | 98.4 | Very high | 94 | Very high | 83 Ų | 83 | 47.2 Ų | 47.2 | 44% | 0.444 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 42.3 | 178.3 | -62.8 | -28.2 | 0 | 0 | 0 | 113.5 | K146 D175 K176 | N144-K146 VanDerWaalsContact C-N 3.32Å; N144-K146 PolarHBondContact O-N 2.88Å; N144-D175 PolarHBondContact ND2-OD1 3.38Å; N144-K176 PolarHBondContact N-O 2.85Å; N144-K176 PolarHBondContact OD1-N 3.03Å |
| 145 | G | 97.8 | Very high | 94.4 | Very high | 43 Ų | 43 | 45.5 Ų | 45.5 | 44% | 0.443 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -1.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | M142 L143 Y178 | M142-G145 VanDerWaalsContact CE-C 3.48Å; M142-G145 WeakPolarHBondContact CE-O 3.43Å; L143-G145 PolarHBondContact O-N 2.68Å; L143-G145 VanDerWaalsContact O-N 3.14Å; G145-Y178 WeakPolarHBondContact CA-OH 3.48Å |
| 146 | K | 98.4 | Very high | 93.9 | Very high | 156 Ų | 156 | 49.6 Ų | 49.6 | 68% | 0.678 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 137.2 | 176.4 | -62.2 | -178.9 | -177.6 | 178.5 | 0 | 111.2 | M142 L143 N144 | M142-K146 CarbonylContact C-O 3.57Å; M142-K146 WeakPolarHBondContact CA-O 3.28Å; L143-K146 PolarHBondContact N-O 2.81Å; L143-K146 PolarHBondContact O-N 2.89Å; N144-K146 VanDerWaalsContact C-N 3.32Å; N144-K146 PolarHBondContact O-N 2.88Å |
| 147 | P | 98.4 | Very high | 93.1 | Very high | 80 Ų | 80 | 53.3 Ų | 53.3 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 136.6 | 176.1 | 30.3 | -33.8 | 0 | 0 | 0 | 110.7 | N140 M142 | N140-P147 HydrophobicContact CB-CB 4.11Å; M142-P147 HydrophobicContact CE-CB 4.48Å; M142-P147 HydrophobicContact SD-CB 4.01Å |
| 148 | V | 98.4 | Very high | 92 | Very high | 60 Ų | 60 | 56 Ų | 56 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -49.5 | 178.4 | -177 | 0 | 0 | 0 | 0 | 111.8 | L141 L143 L169 | L141-V148 HydrophobicContact CD2-CB 4.23Å; L141-V148 PolarHBondContact O-N 3.02Å; L143-V148 HydrophobicContact CB-CG2 3.48Å; L143-V148 VanDerWaalsContact CB-CG2 3.48Å; L143-V148 HydrophobicContact CD2-CG2 4.44Å; V148-L169 HydrophobicContact CG1-CD2 3.64Å |
| 149 | I | 98.6 | Very high | 90.8 | Very high | 31 Ų | 31 | 60.1 Ų | 60.1 | 16% | 0.159 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 155.5 | 173.3 | 56.5 | 163.9 | 0 | 0 | 0 | 109.7 | F126 N140 L141 N165 V167 | F126-I149 HydrophobicContact CE1-CD1 3.9Å; F126-I149 HydrophobicContact CE1-CG1 4.36Å; N140-I149 WeakPolarHBondContact CA-O 3.25Å; L141-I149 HydrophobicContact CB-CD1 4.27Å; L141-I149 HydrophobicContact CB-CG1 3.66Å; L141-I149 HydrophobicContact CD2-CG1 4.5Å; L141-I149 PolarHBondContact N-O 2.94Å; I149-N165 HydrophobicContact CD1-CB 3.91Å; I149-V167 HydrophobicContact CD1-CB 3.84Å; I149-V167 HydrophobicContact CD1-CG1 3.6Å; I149-V167 HydrophobicContact CG1-CB 4.44Å; I149-V167 HydrophobicContact CG1-CG1 4.01Å; I149-V167 HydrophobicContact CG2-CB 4.12Å; I149-V167 HydrophobicContact CG2-CG1 4.4Å; I149-V167 HydrophobicContact CG2-CG2 4.24Å |
| 150 | S | 98.4 | Very high | 89.9 | Confident | 41 Ų | 41 | 67 Ų | 67 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 151.3 | -179.6 | -54.6 | 0 | 0 | 0 | 0 | 111 | V139 N140 N165 | V139-S150 CarbonylContact O-C 3.49Å; V139-S150 VanDerWaalsContact O-CA 3.31Å; V139-S150 WeakPolarHBondContact O-CA 3.23Å; N140-S150 VanDerWaalsContact OD1-CB 3.26Å; N140-S150 WeakPolarHBondContact OD1-CB 3.43Å; N140-S150 PolarHBondContact OD1-OG 2.9Å; S150-N165 PolarHBondContact O-ND2 2.76Å |
| 151 | A | 97.4 | Very high | 89.3 | Confident | 5 Ų | 5 | 69.3 Ų | 69.3 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | F126 Q138 V139 A163 N165 | F126-A151 HydrophobicContact CE2-CB 3.71Å; F126-A151 HydrophobicContact CZ-CB 3.73Å; Q138-A151 WeakPolarHBondContact CA-O 3.14Å; V139-A151 PolarHBondContact N-O 2.95Å; V139-A151 PolarHBondContact O-N 2.86Å; A151-A163 HydrophobicContact CB-CB 3.83Å; A151-N165 HydrophobicContact CB-CB 4.02Å |
| 152 | F | 94.3 | Very high | 89 | Confident | 120 Ų | 120 | 71.2 Ų | 71.2 | 53% | 0.526 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.3 | -178.1 | -58.1 | -91.7 | 0 | 0 | 0 | 109.5 | I137 Q138 | I137-F152 WeakPolarHBondContact O-CA 3.09Å; Q138-F152 HydrophobicContact CB-CD1 3.85Å; Q138-F152 HydrophobicContact CB-CE1 3.75Å; Q138-F152 VanDerWaalsContact CD-CE1 3.44Å; Q138-F152 HydrophobicContact CG-CD1 3.92Å; Q138-F152 HydrophobicContact CG-CE1 3.42Å; Q138-F152 VanDerWaalsContact CG-CE1 3.42Å; Q138-F152 HydrophobicContact CG-CZ 3.92Å |
| 153 | A | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 125.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | Q133 T136 I137 E161 A163 | Q133-A153 PolarHBondContact NE2-O 3.48Å; Q133-A153 VanDerWaalsContact NE2-O 3.17Å; T136-A153 CarbonylContact C-O 3.54Å; T136-A153 VanDerWaalsContact CA-O 3.28Å; T136-A153 WeakPolarHBondContact CA-O 3.22Å; I137-A153 HydrophobicContact CD1-CB 4.16Å; I137-A153 HydrophobicContact CG1-CB 3.81Å; I137-A153 WeakPolarHBondContact CG1-O 3.37Å; I137-A153 PolarHBondContact N-O 3.09Å; I137-A153 PolarHBondContact O-N 3.48Å; I137-A153 VanDerWaalsContact O-N 3.17Å; A153-E161 VanDerWaalsContact C-OE2 3.24Å; A153-E161 VanDerWaalsContact CA-CD 3.44Å; A153-E161 WeakPolarHBondContact CA-OE1 3.46Å; A153-E161 WeakPolarHBondContact CA-OE2 3.42Å; A153-E161 HydrophobicContact CB-CB 3.96Å; A153-E161 HydrophobicContact CB-CG 3.7Å; A153-A163 HydrophobicContact CB-CB 4.14Å |
| 154 | G | 83.9 | Confident | 88.7 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 22% | 0.216 | 39% | 0.393 | C | S | . | . | trans | -158 | 13.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | K156 E161 | G154-K156 PolarHBondContact O-N 3.03Å; G154-E161 WeakPolarHBondContact CA-OE2 3.44Å; G154-E161 PolarHBondContact N-OE1 2.92Å; G154-E161 PolarHBondContact N-OE2 3.38Å | ||
| 155 | D | 76.4 | Confident | 88.7 | Confident | 75 Ų | 75 | 71 Ų | 71 | 40% | 0.401 | 39% | 0.385 | S | S | . | . | trans | -70.7 | 130.1 | -175.5 | -158.7 | -25.4 | 0 | 0 | 0 | 111.3 | D157 V158 E161 | D155-D157 PolarHBondContact OD1-N 2.92Å; D155-D157 VanDerWaalsContact OD1-N 3.07Å; D155-V158 HydrophobicContact CB-CB 4.19Å; D155-V158 HydrophobicContact CB-CG2 3.81Å; D155-E161 PolarHBondContact N-OE2 2.93Å | ||
| 156 | K | 69.2 | Low | 88.7 | Confident | 179 Ų | 179 | 70 Ų | 70 | 78% | 0.778 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -79.9 | -22.5 | -177.2 | -65.4 | -178.5 | -178 | 176.9 | 0 | 112.2 | G154 V158 | G154-K156 PolarHBondContact O-N 3.03Å; K156-V158 VanDerWaalsContact C-N 3.33Å |
| 157 | D | 71.8 | Confident | 88.7 | Confident | 154 Ų | 154 | 64.2 Ų | 64.2 | 82% | 0.824 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -92.7 | 0.5 | -175.8 | -61.8 | -33.9 | 0 | 0 | 0 | 112.1 | D155 | D155-D157 PolarHBondContact OD1-N 2.92Å; D155-D157 VanDerWaalsContact OD1-N 3.07Å |
| 158 | V | 69.7 | Low | 88.6 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 35% | 0.352 | 35% | 0.351 | S | S | . | . | trans | -114.4 | 136.3 | -176.3 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | D155 K156 R160 | D155-V158 HydrophobicContact CB-CB 4.19Å; D155-V158 HydrophobicContact CB-CG2 3.81Å; K156-V158 VanDerWaalsContact C-N 3.33Å; V158-R160 WeakPolarHBondContact CG1-O 3.14Å | ||
| 159 | T | 71.7 | Confident | 88.6 | Confident | 109 Ų | 109 | 62.9 Ų | 62.9 | 67% | 0.669 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -83.2 | -20.2 | -178.7 | 56 | 0 | 0 | 0 | 0 | 113.4 | Y132 | Y132-T159 PolarHBondContact N-O 2.83Å; Y132-T159 VanDerWaalsContact N-O 3.1Å |
| 160 | R | 78.1 | Confident | 88.6 | Confident | 144 Ų | 144 | 66.3 Ų | 66.3 | 54% | 0.543 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 123.6 | 179.7 | -65.7 | -174.9 | 178.2 | 179.5 | -0.6 | 111.1 | K130 V131 V158 | K130-R160 WeakPolarHBondContact O-CA 3.25Å; V131-R160 HydrophobicContact CB-CG 4.42Å; V131-R160 HydrophobicContact CG1-CG 4.04Å; V131-R160 HydrophobicContact CG2-CG 4.18Å; V158-R160 WeakPolarHBondContact CG1-O 3.14Å |
| 161 | E | 87.6 | Confident | 88.6 | Confident | 55 Ų | 55 | 64.4 Ų | 64.4 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 153.8 | 175.7 | -164.4 | -175.4 | 172.3 | 0 | 0 | 110.3 | K130 Q133 A153 G154 D155 | K130-E161 PolarHBondContact N-O 2.83Å; K130-E161 PolarHBondContact O-N 3.25Å; Q133-E161 PolarHBondContact NE2-OE2 3.43Å; Q133-E161 PolarHBondContact OE1-OE2 3.14Å; A153-E161 VanDerWaalsContact C-OE2 3.24Å; A153-E161 VanDerWaalsContact CA-CD 3.44Å; A153-E161 WeakPolarHBondContact CA-OE1 3.46Å; A153-E161 WeakPolarHBondContact CA-OE2 3.42Å; A153-E161 HydrophobicContact CB-CB 3.96Å; A153-E161 HydrophobicContact CB-CG 3.7Å; G154-E161 WeakPolarHBondContact CA-OE2 3.44Å; G154-E161 PolarHBondContact N-OE1 2.92Å; G154-E161 PolarHBondContact N-OE2 3.38Å; D155-E161 PolarHBondContact N-OE2 2.93Å |
| 162 | A | 91.1 | Very high | 88.7 | Confident | 40 Ų | 40 | 68 Ų | 68 | 33% | 0.331 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 119.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V128 I129 T164 | V128-A162 CarbonylContact O-C 3.53Å; V128-A162 WeakPolarHBondContact O-CA 3.39Å; I129-A162 HydrophobicContact CG1-CB 3.96Å; A162-T164 PolarHBondContact O-N 3.31Å; A162-T164 VanDerWaalsContact O-N 3.16Å |
| 163 | A | 95.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 102.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | F126 V128 I137 V139 A151 A153 | F126-A163 WeakPolarHBondContact CE2-O 3.26Å; V128-A163 HydrophobicContact CB-CB 4.47Å; V128-A163 PolarHBondContact N-O 3.34Å; V128-A163 PolarHBondContact O-N 3.17Å; I137-A163 HydrophobicContact CD1-CB 4.28Å; V139-A163 HydrophobicContact CB-CB 4.27Å; V139-A163 HydrophobicContact CG2-CB 3.95Å; A151-A163 HydrophobicContact CB-CB 3.83Å; A153-A163 HydrophobicContact CB-CB 4.14Å |
| 164 | T | 96.9 | Very high | 89.1 | Confident | 69 Ų | 69 | 74.7 Ų | 74.7 | 42% | 0.423 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 130.5 | -173.3 | -64 | 0 | 0 | 0 | 0 | 111.4 | F126 H127 A162 | F126-T164 WeakPolarHBondContact O-CA 3.48Å; H127-T164 WeakPolarHBondContact CE1-CG2 3.33Å; H127-T164 WeakPolarHBondContact ND1-CG2 3.15Å; H127-T164 PolarHBondContact ND1-OG1 2.99Å; A162-T164 PolarHBondContact O-N 3.31Å; A162-T164 VanDerWaalsContact O-N 3.16Å |
| 165 | N | 98.2 | Very high | 89.8 | Confident | 51 Ų | 51 | 75 Ų | 75 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 169.6 | 168.7 | -155.2 | -14.3 | 0 | 0 | 0 | 111.2 | F126 I149 S150 A151 | F126-N165 WeakPolarHBondContact CD1-O 3.48Å; F126-N165 HydrophobicContact CE1-CB 3.82Å; F126-N165 HydrophobicContact CE2-CB 4.49Å; F126-N165 HydrophobicContact CZ-CB 3.7Å; F126-N165 PolarHBondContact N-O 3.2Å; F126-N165 PolarHBondContact O-N 3.35Å; I149-N165 HydrophobicContact CD1-CB 3.91Å; S150-N165 PolarHBondContact O-ND2 2.76Å; A151-N165 HydrophobicContact CB-CB 4.02Å |
| 166 | G | 97.3 | Very high | 90.9 | Very high | 22 Ų | 22 | 76.6 Ų | 76.6 | 23% | 0.227 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 153.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F124 | F124-G166 CarbonylContact O-C 3.54Å; F124-G166 WeakPolarHBondContact O-CA 3.34Å |
| 167 | V | 98.1 | Very high | 92.3 | Very high | 35 Ų | 35 | 68.1 Ų | 68.1 | 21% | 0.212 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 154 | -172.2 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | F124 L141 I149 L169 | F124-V167 PolarHBondContact N-O 3.31Å; F124-V167 PolarHBondContact O-N 2.81Å; L141-V167 HydrophobicContact CD2-CG1 4.24Å; I149-V167 HydrophobicContact CD1-CB 3.84Å; I149-V167 HydrophobicContact CD1-CG1 3.6Å; I149-V167 HydrophobicContact CG1-CB 4.44Å; I149-V167 HydrophobicContact CG1-CG1 4.01Å; I149-V167 HydrophobicContact CG2-CB 4.12Å; I149-V167 HydrophobicContact CG2-CG1 4.4Å; I149-V167 HydrophobicContact CG2-CG2 4.24Å; V167-L169 HydrophobicContact CG1-CD1 4.17Å; V167-L169 HydrophobicContact CG1-CD2 4.05Å; V167-L169 HydrophobicContact CG1-CG 3.91Å; V167-L169 HydrophobicContact CG2-CD2 3.74Å; V167-L169 HydrophobicContact CG2-CG 4.31Å |
| 168 | L | 98 | Very high | 93.6 | Very high | 92 Ų | 92 | 62.6 Ų | 62.6 | 48% | 0.482 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 128.8 | 164 | -65.5 | -179.5 | 0 | 0 | 0 | 109.6 | L44 V121 Y122 V200 | L44-L168 HydrophobicContact CD1-CD2 4.4Å; V121-L168 HydrophobicContact CG1-CB 4.3Å; Y122-L168 CarbonylContact O-C 3.56Å; Y122-L168 VanDerWaalsContact O-CA 3.26Å; Y122-L168 WeakPolarHBondContact O-CA 3.45Å; L168-V200 HydrophobicContact CD2-CG2 3.99Å |
| 169 | L | 98.1 | Very high | 95 | Very high | 19 Ų | 19 | 59.9 Ų | 59.9 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 135.3 | 179.6 | -60.7 | 179.3 | 0 | 0 | 0 | 111.2 | V121 Y122 F124 L141 V148 V167 L171 | V121-L169 CarbonylContact C-O 3.49Å; V121-L169 WeakPolarHBondContact CA-O 2.97Å; Y122-L169 PolarHBondContact N-O 2.95Å; Y122-L169 PolarHBondContact O-N 3.43Å; F124-L169 HydrophobicContact CD2-CD1 4.03Å; F124-L169 HydrophobicContact CD2-CG 4.33Å; F124-L169 HydrophobicContact CE2-CB 4.36Å; F124-L169 HydrophobicContact CE2-CD1 4.13Å; L141-L169 HydrophobicContact CD2-CD1 3.74Å; V148-L169 HydrophobicContact CG1-CD2 3.64Å; V167-L169 HydrophobicContact CG1-CD1 4.17Å; V167-L169 HydrophobicContact CG1-CD2 4.05Å; V167-L169 HydrophobicContact CG1-CG 3.91Å; V167-L169 HydrophobicContact CG2-CD2 3.74Å; V167-L169 HydrophobicContact CG2-CG 4.31Å; L169-L171 HydrophobicContact CB-CD2 3.97Å; L169-L171 HydrophobicContact CB-CG 4.27Å; L169-L171 HydrophobicContact CD1-CD2 4.45Å |
| 170 | Y | 98.3 | Very high | 96.2 | Very high | 104 Ų | 104 | 57.3 Ų | 57.3 | 41% | 0.408 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 125.5 | 158.4 | 175.7 | -81.2 | 0 | 0 | 0 | 108.1 | K119 G120 E172 L203 | K119-Y170 VanDerWaalsContact CD-OH 3.3Å; K119-Y170 WeakPolarHBondContact CD-OH 3.46Å; K119-Y170 WeakPolarHBondContact CE-OH 3.33Å; K119-Y170 HydrophobicContact CG-CE2 4.21Å; K119-Y170 PolarHBondContact NZ-OH 3.01Å; G120-Y170 WeakPolarHBondContact O-CA 3.4Å; Y170-E172 HydrophobicContact CE1-CG 4.12Å; Y170-E172 VanDerWaalsContact CE1-OE1 3.29Å; Y170-E172 WeakPolarHBondContact CE1-OE1 3.13Å; Y170-E172 VanDerWaalsContact CZ-OE1 3.31Å; Y170-E172 PolarHBondContact OH-OE1 3.37Å; Y170-L203 HydrophobicContact CD2-CD1 3.62Å; Y170-L203 HydrophobicContact CE2-CD1 3.45Å; Y170-L203 VanDerWaalsContact CE2-CD1 3.45Å |
| 171 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.7 | 176.3 | -57.9 | -177.7 | 0 | 0 | 0 | 110.1 | F114 K119 G120 Y122 F124 L143 L169 D175 V177 | F114-L171 HydrophobicContact CE1-CD1 4.14Å; K119-L171 VanDerWaalsContact CA-O 3.24Å; K119-L171 WeakPolarHBondContact CA-O 3.49Å; G120-L171 PolarHBondContact N-O 2.95Å; G120-L171 VanDerWaalsContact N-O 3.08Å; G120-L171 PolarHBondContact O-N 2.98Å; Y122-L171 HydrophobicContact CD2-CB 3.76Å; Y122-L171 HydrophobicContact CD2-CD1 3.6Å; Y122-L171 HydrophobicContact CD2-CG 3.73Å; Y122-L171 HydrophobicContact CE2-CB 3.83Å; Y122-L171 HydrophobicContact CE2-CD1 4.11Å; Y122-L171 HydrophobicContact CE2-CG 4.28Å; Y122-L171 HydrophobicContact CG-CD1 3.82Å; Y122-L171 HydrophobicContact CG-CG 4.35Å; F124-L171 HydrophobicContact CE2-CD1 3.89Å; F124-L171 HydrophobicContact CZ-CD1 3.78Å; L143-L171 HydrophobicContact CD1-CD2 3.55Å; L143-L171 HydrophobicContact CD2-CD2 4.13Å; L143-L171 HydrophobicContact CG-CD2 4.48Å; L169-L171 HydrophobicContact CB-CD2 3.97Å; L169-L171 HydrophobicContact CB-CG 4.27Å; L169-L171 HydrophobicContact CD1-CD2 4.45Å; L171-D175 WeakPolarHBondContact CA-OD2 3.49Å; L171-D175 HydrophobicContact CB-CB 4.21Å; L171-D175 HydrophobicContact CD2-CB 4.21Å; L171-V177 HydrophobicContact CD1-CG2 3.87Å; L171-V177 HydrophobicContact CD2-CG2 4.03Å |
| 172 | E | 98.4 | Very high | 97.5 | Very high | 80 Ų | 80 | 52.6 Ų | 52.6 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | trans | -86.5 | 171.5 | 163.6 | -68.5 | -63.6 | 165.2 | 0 | 0 | 110.7 | S116 K119 Y170 D175 | S116-E172 WeakPolarHBondContact CB-O 2.84Å; S116-E172 PolarHBondContact OG-O 3.29Å; K119-E172 IonicContact NZ-OE1 3.95Å; Y170-E172 HydrophobicContact CE1-CG 4.12Å; Y170-E172 VanDerWaalsContact CE1-OE1 3.29Å; Y170-E172 WeakPolarHBondContact CE1-OE1 3.13Å; Y170-E172 VanDerWaalsContact CZ-OE1 3.31Å; Y170-E172 PolarHBondContact OH-OE1 3.37Å; E172-D175 PolarHBondContact N-OD2 2.95Å | ||
| 173 | K | 97.3 | Very high | 97.6 | Very high | 129 Ų | 129 | 56.8 Ų | 56.8 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 141.3 | 169.5 | 179.1 | 176.4 | 175.9 | -154.2 | 0 | 109.6 | S116 P117 D175 | S116-K173 CarbonylContact O-C 3.6Å; P117-K173 WeakPolarHBondContact O-CG 3.48Å; K173-D175 PolarHBondContact O-N 3.16Å |
| 174 | E | 97.3 | Very high | 97.4 | Very high | 133 Ų | 133 | 57.5 Ų | 57.5 | 62% | 0.621 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 2 | 179.3 | -69.3 | 154.8 | -159 | 0 | 0 | 116.1 | S116 K176 | S116-E174 PolarHBondContact O-N 3.2Å; E174-K176 PolarHBondContact O-N 2.89Å |
| 175 | D | 98.8 | Very high | 97.1 | Very high | 26 Ų | 26 | 56.5 Ų | 56.5 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | trans | -57.7 | 137.5 | 169.6 | -82.9 | -13.1 | 0 | 0 | 0 | 111.4 | S116 L143 N144 L171 E172 K173 | S116-D175 PolarHBondContact N-O 3.1Å; L143-D175 HydrophobicContact CD1-CB 3.95Å; N144-D175 PolarHBondContact ND2-OD1 3.38Å; L171-D175 WeakPolarHBondContact CA-OD2 3.49Å; L171-D175 HydrophobicContact CB-CB 4.21Å; L171-D175 HydrophobicContact CD2-CB 4.21Å; E172-D175 PolarHBondContact N-OD2 2.95Å; K173-D175 PolarHBondContact O-N 3.16Å | ||
| 176 | K | 98.7 | Very high | 96.7 | Very high | 110 Ų | 110 | 54.3 Ų | 54.3 | 48% | 0.478 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.6 | -176.6 | -51.8 | -168.1 | 177.6 | 175.5 | 0 | 110.7 | V113 F114 L115 L143 N144 E174 | V113-K176 HydrophobicContact CG1-CB 4.04Å; F114-K176 WeakPolarHBondContact O-CA 3.29Å; L115-K176 HydrophobicContact CD2-CB 4.35Å; L115-K176 HydrophobicContact CD2-CD 4.08Å; L115-K176 HydrophobicContact CD2-CG 3.63Å; L143-K176 WeakPolarHBondContact CA-O 3.49Å; N144-K176 PolarHBondContact N-O 2.85Å; N144-K176 PolarHBondContact OD1-N 3.03Å; E174-K176 PolarHBondContact O-N 2.89Å |
| 177 | V | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.3 | 175.8 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | F114 F124 L141 M142 L143 L171 F195 | F114-V177 HydrophobicContact CB-CB 4.36Å; F114-V177 HydrophobicContact CD1-CB 4.35Å; F114-V177 PolarHBondContact N-O 2.94Å; F114-V177 PolarHBondContact O-N 2.92Å; F124-V177 HydrophobicContact CD1-CG1 4.01Å; F124-V177 HydrophobicContact CD2-CG1 4.38Å; F124-V177 HydrophobicContact CE1-CB 4.01Å; F124-V177 HydrophobicContact CE1-CG1 3.8Å; F124-V177 HydrophobicContact CE1-CG2 4.39Å; F124-V177 HydrophobicContact CE2-CG1 4.2Å; F124-V177 HydrophobicContact CE2-CG2 4.13Å; F124-V177 HydrophobicContact CG-CG1 4.29Å; F124-V177 HydrophobicContact CZ-CB 3.93Å; F124-V177 HydrophobicContact CZ-CG1 3.92Å; F124-V177 HydrophobicContact CZ-CG2 3.8Å; L141-V177 HydrophobicContact CD1-CG1 4.15Å; L141-V177 HydrophobicContact CD2-CG1 3.87Å; L141-V177 HydrophobicContact CG-CG1 3.96Å; M142-V177 VanDerWaalsContact O-CA 3.28Å; M142-V177 WeakPolarHBondContact O-CA 3.43Å; L143-V177 HydrophobicContact CD1-CG2 4.04Å; L171-V177 HydrophobicContact CD1-CG2 3.87Å; L171-V177 HydrophobicContact CD2-CG2 4.03Å; V177-F195 HydrophobicContact CG1-CZ 4.32Å |
| 178 | Y | 98.8 | Very high | 95.5 | Very high | 39 Ų | 39 | 56.6 Ų | 56.6 | 15% | 0.153 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 167.3 | -179 | 59.4 | -84.9 | 0 | 0 | 0 | 111.3 | I94 V113 M142 G145 K180 | I94-Y178 HydrophobicContact CD1-CD2 4.08Å; I94-Y178 HydrophobicContact CD1-CE2 4.14Å; I94-Y178 HydrophobicContact CG1-CD2 3.86Å; I94-Y178 HydrophobicContact CG1-CE2 3.96Å; I94-Y178 HydrophobicContact CG2-CD2 4.44Å; V113-Y178 HydrophobicContact CG1-CD1 4.3Å; V113-Y178 HydrophobicContact CG2-CD1 4.46Å; V113-Y178 HydrophobicContact CG2-CG 4.34Å; M142-Y178 HydrophobicContact CB-CD1 4.16Å; M142-Y178 HydrophobicContact CB-CD2 4.01Å; M142-Y178 HydrophobicContact CB-CE1 3.86Å; M142-Y178 HydrophobicContact CB-CE2 3.72Å; M142-Y178 HydrophobicContact CB-CG 4.23Å; M142-Y178 WeakPolarHBondContact CB-O 3.14Å; M142-Y178 HydrophobicContact CG-CD2 4Å; M142-Y178 HydrophobicContact CG-CE2 3.63Å; M142-Y178 PolarHBondContact N-O 3.36Å; M142-Y178 PolarHBondContact O-N 2.87Å; G145-Y178 WeakPolarHBondContact CA-OH 3.48Å; Y178-K180 HydrophobicContact CE2-CB 4.31Å |
| 179 | L | 98.7 | Very high | 95 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 135.2 | 176.1 | -57.1 | -177 | 0 | 0 | 0 | 110.8 | I94 I95 F97 F126 V128 V139 N140 L141 F195 | I94-L179 WeakPolarHBondContact CA-O 3.32Å; I95-L179 HydrophobicContact CB-CB 4.19Å; I95-L179 HydrophobicContact CD1-CB 4.24Å; I95-L179 HydrophobicContact CG1-CB 4.43Å; I95-L179 PolarHBondContact N-O 2.75Å; F97-L179 HydrophobicContact CE2-CD1 4.04Å; F97-L179 HydrophobicContact CZ-CD1 3.89Å; F126-L179 HydrophobicContact CB-CD1 3.54Å; F126-L179 HydrophobicContact CB-CD2 4.1Å; F126-L179 HydrophobicContact CB-CG 4.44Å; F126-L179 HydrophobicContact CD1-CD2 3.68Å; F126-L179 HydrophobicContact CD2-CD1 4.16Å; F126-L179 HydrophobicContact CD2-CD2 4.41Å; F126-L179 HydrophobicContact CE1-CD2 4.16Å; F126-L179 HydrophobicContact CG-CD1 3.86Å; F126-L179 HydrophobicContact CG-CD2 3.81Å; V128-L179 HydrophobicContact CG2-CD1 4.15Å; V139-L179 HydrophobicContact CG1-CB 4.34Å; N140-L179 WeakPolarHBondContact O-CA 3.41Å; L141-L179 HydrophobicContact CB-CD2 4Å; L141-L179 HydrophobicContact CD1-CD2 4.22Å; L141-L179 HydrophobicContact CG-CD2 4.28Å; L179-F195 HydrophobicContact CD1-CB 4.02Å; L179-F195 HydrophobicContact CD1-CD1 4.3Å; L179-F195 HydrophobicContact CD1-CD2 4.06Å; L179-F195 HydrophobicContact CD1-CG 3.89Å; L179-F195 HydrophobicContact CD2-CD2 4.3Å; L179-F195 HydrophobicContact CD2-CE2 4.11Å; L179-F195 HydrophobicContact CD2-CZ 4.36Å; L179-F195 HydrophobicContact CG-CD1 4.13Å; L179-F195 HydrophobicContact CG-CD2 4.15Å; L179-F195 HydrophobicContact CG-CE1 4.23Å; L179-F195 HydrophobicContact CG-CE2 4.25Å; L179-F195 HydrophobicContact CG-CG 4.1Å; L179-F195 HydrophobicContact CG-CZ 4.29Å |
| 180 | K | 98.1 | Very high | 94.8 | Very high | 55 Ų | 55 | 51.4 Ų | 51.4 | 24% | 0.239 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133.5 | 176.8 | -171 | -171.2 | 173.6 | -142.6 | 0 | 110.6 | R93 N140 M142 Y178 E182 | R93-K180 HydrophobicContact CB-CG 3.98Å; R93-K180 CarbonylContact O-C 3.57Å; R93-K180 WeakPolarHBondContact O-CA 3.44Å; R93-K180 WeakPolarHBondContact O-CG 3.34Å; N140-K180 PolarHBondContact N-O 3.21Å; N140-K180 PolarHBondContact O-N 2.95Å; M142-K180 HydrophobicContact CE-CD 4.12Å; M142-K180 HydrophobicContact CG-CB 3.56Å; M142-K180 HydrophobicContact CG-CD 4.47Å; M142-K180 HydrophobicContact SD-CB 3.94Å; M142-K180 HydrophobicContact SD-CD 4.23Å; Y178-K180 HydrophobicContact CE2-CB 4.31Å; K180-E182 IonicContact NZ-OE2 2.79Å; K180-E182 PolarHBondContact NZ-OE2 3.46Å; K180-E182 PolarHBondContact O-N 2.88Å |
| 181 | L | 96.8 | Very high | 94.6 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 101.3 | 171.2 | -174 | 72.6 | 0 | 0 | 0 | 109.7 | R93 I95 I137 V139 K183 L186 | R93-L181 WeakPolarHBondContact CB-O 3.31Å; R93-L181 PolarHBondContact O-N 3.1Å; I95-L181 HydrophobicContact CD1-CB 4.36Å; I95-L181 HydrophobicContact CG1-CB 4.2Å; I137-L181 HydrophobicContact CB-CD1 4.02Å; I137-L181 HydrophobicContact CG2-CD1 4.27Å; V139-L181 HydrophobicContact CG2-CD1 4.23Å; L181-K183 WeakPolarHBondContact CD1-O 3.44Å; L181-L186 HydrophobicContact CD1-CD2 4.42Å; L181-L186 HydrophobicContact CD1-CG 4.38Å; L181-L186 HydrophobicContact CD2-CD1 4.43Å; L181-L186 HydrophobicContact CD2-CG 3.94Å |
| 182 | E | 96.3 | Very high | 94.4 | Very high | 87 Ų | 87 | 54.3 Ų | 54.3 | 41% | 0.407 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -37 | -176.2 | -170 | 63.2 | -163.5 | 0 | 0 | 112.3 | Q138 N140 K180 | Q138-E182 HydrophobicContact CB-CB 4.43Å; Q138-E182 HydrophobicContact CG-CB 4.2Å; Q138-E182 PolarHBondContact O-N 3.23Å; N140-E182 WeakPolarHBondContact ND2-CB 3.45Å; K180-E182 IonicContact NZ-OE2 2.79Å; K180-E182 PolarHBondContact NZ-OE2 3.46Å; K180-E182 PolarHBondContact O-N 2.88Å |
| 183 | K | 93.4 | Very high | 94.3 | Very high | 129 Ų | 129 | 50.5 Ų | 50.5 | 56% | 0.561 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.9 | 176.9 | -61.2 | -176 | -178.3 | 174 | 0 | 111.3 | I137 Q138 L181 | I137-K183 WeakPolarHBondContact CA-O 3.35Å; Q138-K183 HydrophobicContact CB-CB 3.8Å; Q138-K183 HydrophobicContact CB-CD 4.42Å; Q138-K183 HydrophobicContact CB-CG 4.13Å; Q138-K183 PolarHBondContact N-O 2.73Å; Q138-K183 VanDerWaalsContact N-O 3.07Å; Q138-K183 PolarHBondContact O-N 2.99Å; L181-K183 WeakPolarHBondContact CD1-O 3.44Å |
| 184 | G | 91.3 | Very high | 94.4 | Very high | 15 Ų | 15 | 46.2 Ų | 46.2 | 16% | 0.155 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 83.7 | -156.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R93 | R93-G184 PolarHBondContact NH1-O 2.87Š|
| 185 | N | 89.4 | Confident | 94.5 | Very high | 47 Ų | 47 | 39.9 Ų | 39.9 | 25% | 0.251 | 20% | 0.198 | S | C | . | . | trans | -144.4 | 165.3 | 178 | 65.4 | 64.4 | 0 | 0 | 0 | 109.8 | K130 Q135 I137 V187 | K130-N185 WeakPolarHBondContact CE-O 3.34Å; K130-N185 PolarHBondContact NZ-O 2.96Å; K130-N185 PolarHBondContact NZ-OD1 2.86Å; K130-N185 VanDerWaalsContact NZ-OD1 3.13Å; Q135-N185 PolarHBondContact OE1-ND2 2.68Å; Q135-N185 VanDerWaalsContact OE1-ND2 3.07Å; I137-N185 WeakPolarHBondContact CG2-O 3.44Å; N185-V187 HydrophobicContact CB-CG2 4.11Å; N185-V187 WeakPolarHBondContact OD1-CB 3.26Å; N185-V187 WeakPolarHBondContact OD1-CG2 3.47Å; N185-V187 PolarHBondContact OD1-N 3.16Å; N185-V187 VanDerWaalsContact OD1-N 3.07Å | ||
| 186 | L | 89.4 | Confident | 94.5 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | trans | -112.3 | 34.2 | 172.5 | -61.3 | 171.7 | 0 | 0 | 0 | 111.2 | P85 I95 V128 K130 I137 L181 G189 W190 | P85-L186 HydrophobicContact CG-CB 4.28Å; I95-L186 HydrophobicContact CD1-CD1 4.35Å; I95-L186 HydrophobicContact CG1-CD1 4.15Å; I95-L186 HydrophobicContact CG2-CD1 4.19Å; V128-L186 HydrophobicContact CG1-CD2 4.16Å; K130-L186 HydrophobicContact CD-CD2 4.48Å; I137-L186 HydrophobicContact CD1-CD2 4.23Å; L181-L186 HydrophobicContact CD1-CD2 4.42Å; L181-L186 HydrophobicContact CD1-CG 4.38Å; L181-L186 HydrophobicContact CD2-CD1 4.43Å; L181-L186 HydrophobicContact CD2-CG 3.94Å; L186-G189 PolarHBondContact O-N 2.81Å; L186-G189 VanDerWaalsContact O-N 3.09Å; L186-W190 HydrophobicContact CB-CD2 4.19Å; L186-W190 HydrophobicContact CB-CE3 3.51Å; L186-W190 HydrophobicContact CB-CZ3 4.04Å; L186-W190 HydrophobicContact CD1-CB 4.34Å; L186-W190 HydrophobicContact CD1-CD2 3.79Å; L186-W190 HydrophobicContact CD1-CE3 3.92Å; L186-W190 HydrophobicContact CD1-CG 4Å; L186-W190 HydrophobicContact CD2-CB 4.27Å; L186-W190 HydrophobicContact CG-CE3 4.31Å | ||
| 187 | V | 86.9 | Confident | 94.4 | Very high | 81 Ų | 81 | 35.2 Ų | 35.2 | 49% | 0.491 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 139 | 172.7 | 177.4 | 0 | 0 | 0 | 0 | 108.8 | E84 N185 G189 | E84-V187 VanDerWaalsContact OE2-CA 3.29Å; E84-V187 WeakPolarHBondContact OE2-CA 3.4Å; N185-V187 HydrophobicContact CB-CG2 4.11Å; N185-V187 WeakPolarHBondContact OD1-CB 3.26Å; N185-V187 WeakPolarHBondContact OD1-CG2 3.47Å; N185-V187 PolarHBondContact OD1-N 3.16Å; N185-V187 VanDerWaalsContact OD1-N 3.07Å; V187-G189 VanDerWaalsContact C-N 3.32Å |
| 188 | G | 84.3 | Confident | 94.3 | Very high | 25 Ų | 25 | 38.5 Ų | 38.5 | 26% | 0.258 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114 | E84 | E84-G188 PolarHBondContact OE1-N 2.98Š|
| 189 | G | 87.6 | Confident | 94.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | 86.1 | 167.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L186 V187 | L186-G189 PolarHBondContact O-N 2.81Å; L186-G189 VanDerWaalsContact O-N 3.09Å; V187-G189 VanDerWaalsContact C-N 3.32Å | ||
| 190 | W | 93.2 | Very high | 94 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | trans | -133.8 | 37.2 | -179.4 | 62.2 | 100.8 | 0 | 0 | 0 | 111.8 | R79 H83 P85 Y96 I129 L186 S193 | R79-W190 WeakPolarHBondContact CB-O 3.26Å; R79-W190 VanDerWaalsContact CG-CD1 3.49Å; R79-W190 HydrophobicContact CG-CD2 4.26Å; R79-W190 HydrophobicContact CG-CG 3.96Å; R79-W190 WeakPolarHBondContact CG-O 3.39Å; R79-W190 VanDerWaalsContact CZ-CZ2 3.44Å; H83-W190 WeakPolarHBondContact O-CZ3 3.39Å; P85-W190 HydrophobicContact CB-CH2 4.24Å; P85-W190 HydrophobicContact CB-CZ3 4.2Å; P85-W190 HydrophobicContact CG-CH2 4.22Å; P85-W190 HydrophobicContact CG-CZ3 3.67Å; Y96-W190 PolarHBondContact O-NE1 3.07Å; I129-W190 CarbonylContact O-C 3.56Å; I129-W190 WeakPolarHBondContact O-CA 2.97Å; I129-W190 VanDerWaalsContact O-CB 3.25Å; I129-W190 WeakPolarHBondContact O-CB 3.39Å; L186-W190 HydrophobicContact CB-CD2 4.19Å; L186-W190 HydrophobicContact CB-CE3 3.51Å; L186-W190 HydrophobicContact CB-CZ3 4.04Å; L186-W190 HydrophobicContact CD1-CB 4.34Å; L186-W190 HydrophobicContact CD1-CD2 3.79Å; L186-W190 HydrophobicContact CD1-CE3 3.92Å; L186-W190 HydrophobicContact CD1-CG 4Å; L186-W190 HydrophobicContact CD2-CB 4.27Å; L186-W190 HydrophobicContact CG-CE3 4.31Å; W190-S193 WeakPolarHBondContact O-CB 3.45Å; W190-S193 PolarHBondContact O-N 2.65Å; W190-S193 PolarHBondContact O-OG 2.78Å | ||
| 191 | Q | 93.9 | Very high | 93.5 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 19% | 0.187 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 148.6 | 177.1 | -173.5 | -179.3 | 39.6 | 0 | 0 | 110.9 | S80 N82 S193 | S80-Q191 PolarHBondContact O-NE2 3.34Å; N82-Q191 PolarHBondContact ND2-OE1 3.35Å; N82-Q191 WeakPolarHBondContact OD1-CB 3.35Å; N82-Q191 PolarHBondContact OD1-N 2.79Å; Q191-S193 PolarHBondContact O-N 3.23Å |
| 192 | Y | 94.8 | Very high | 93.3 | Very high | 125 Ų | 125 | 42.7 Ų | 42.7 | 49% | 0.49 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | -5 | -176.2 | -46.3 | -69.6 | 0 | 0 | 0 | 114.8 | R79 | R79-Y192 PolarHBondContact O-N 3.43Š|
| 193 | S | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -60.3 | 144.2 | 171.5 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | V78 R79 H127 V128 I129 W190 Q191 | V78-S193 CarbonylContact C-O 3.45Å; V78-S193 VanDerWaalsContact CA-O 3.28Å; V78-S193 WeakPolarHBondContact CA-O 3.23Å; R79-S193 PolarHBondContact N-O 2.76Å; H127-S193 CarbonylContact O-C 3.59Å; H127-S193 WeakPolarHBondContact O-CA 3.29Å; H127-S193 WeakPolarHBondContact O-CB 3.4Å; V128-S193 WeakPolarHBondContact CA-OG 3.41Å; I129-S193 PolarHBondContact N-OG 2.87Å; I129-S193 PolarHBondContact O-OG 2.92Å; W190-S193 WeakPolarHBondContact O-CB 3.45Å; W190-S193 PolarHBondContact O-N 2.65Å; W190-S193 PolarHBondContact O-OG 2.78Å; Q191-S193 PolarHBondContact O-N 3.23Å | ||
| 194 | T | 98.6 | Very high | 92.8 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 143.9 | -179.3 | 67.6 | 0 | 0 | 0 | 0 | 111.3 | A77 V78 F126 H127 | A77-T194 WeakPolarHBondContact O-CA 3.34Å; V78-T194 HydrophobicContact CG1-CG2 4.01Å; F126-T194 WeakPolarHBondContact CA-O 3.17Å; H127-T194 PolarHBondContact CD2-OG1 3.09Å; H127-T194 VanDerWaalsContact CD2-OG1 3.29Å; H127-T194 PolarHBondContact N-O 2.76Å; H127-T194 PolarHBondContact O-N 3.17Å |
| 195 | F | 98.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 125.6 | 167.3 | -179.4 | -147.8 | 0 | 0 | 0 | 109.4 | F75 A77 F97 F108 F124 F126 L141 V177 L179 | F75-F195 AromaticContact CE2-CD1 3.75Å; F75-F195 HydrophobicContact CE2-CD1 3.75Å; F75-F195 HydrophobicContact CE2-CD2 4.27Å; F75-F195 AromaticContact CE2-CE1 3.88Å; F75-F195 HydrophobicContact CE2-CE1 3.88Å; F75-F195 HydrophobicContact CE2-CE2 4.37Å; F75-F195 AromaticContact CE2-CG 3.96Å; F75-F195 HydrophobicContact CE2-CG 3.96Å; F75-F195 HydrophobicContact CE2-CZ 4.19Å; F75-F195 HydrophobicContact CZ-CD1 4.15Å; F75-F195 HydrophobicContact CZ-CD2 4.23Å; F75-F195 AromaticContact CZ-CE1 3.84Å; F75-F195 HydrophobicContact CZ-CE1 3.84Å; F75-F195 AromaticContact CZ-CE2 3.93Å; F75-F195 HydrophobicContact CZ-CE2 3.93Å; F75-F195 HydrophobicContact CZ-CG 4.34Å; F75-F195 AromaticContact CZ-CZ 3.72Å; F75-F195 HydrophobicContact CZ-CZ 3.72Å; A77-F195 PolarHBondContact N-O 3.2Å; A77-F195 PolarHBondContact O-N 2.99Å; F97-F195 HydrophobicContact CD1-CB 4.42Å; F97-F195 HydrophobicContact CD2-CB 4.18Å; F97-F195 HydrophobicContact CE1-CB 3.92Å; F97-F195 HydrophobicContact CE2-CB 3.64Å; F97-F195 HydrophobicContact CE2-CD1 4.21Å; F97-F195 HydrophobicContact CE2-CG 4.33Å; F97-F195 HydrophobicContact CZ-CB 3.5Å; F108-F195 AromaticContact CE2-CD1 3.78Å; F108-F195 HydrophobicContact CE2-CD1 3.78Å; F108-F195 AromaticContact CE2-CE1 3.84Å; F108-F195 HydrophobicContact CE2-CE1 3.84Å; F108-F195 HydrophobicContact CZ-CD1 4.11Å; F124-F195 HydrophobicContact CB-CE2 4.48Å; F124-F195 HydrophobicContact CD1-CE2 4.06Å; F124-F195 HydrophobicContact CD1-CZ 4.21Å; F126-F195 HydrophobicContact CB-CD2 4Å; L141-F195 HydrophobicContact CD1-CE2 4.19Å; V177-F195 HydrophobicContact CG1-CZ 4.32Å; L179-F195 HydrophobicContact CD1-CB 4.02Å; L179-F195 HydrophobicContact CD1-CD1 4.3Å; L179-F195 HydrophobicContact CD1-CD2 4.06Å; L179-F195 HydrophobicContact CD1-CG 3.89Å; L179-F195 HydrophobicContact CD2-CD2 4.3Å; L179-F195 HydrophobicContact CD2-CE2 4.11Å; L179-F195 HydrophobicContact CD2-CZ 4.36Å; L179-F195 HydrophobicContact CG-CD1 4.13Å; L179-F195 HydrophobicContact CG-CD2 4.15Å; L179-F195 HydrophobicContact CG-CE1 4.23Å; L179-F195 HydrophobicContact CG-CE2 4.25Å; L179-F195 HydrophobicContact CG-CG 4.1Å; L179-F195 HydrophobicContact CG-CZ 4.29Å |
| 196 | S | 98.8 | Very high | 93 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 156.8 | -177.7 | 61.4 | 0 | 0 | 0 | 0 | 111.7 | F75 F124 N125 | F75-S196 WeakPolarHBondContact O-CA 3.49Å; F75-S196 WeakPolarHBondContact O-CB 3.36Å; F124-S196 WeakPolarHBondContact CA-O 3.48Å; N125-S196 PolarHBondContact N-O 2.88Å; N125-S196 PolarHBondContact O-N 3.17Å |
| 197 | G | 98.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | 161.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | A74 F75 S123 | A74-G197 CarbonylContact C-O 3.57Å; A74-G197 WeakPolarHBondContact CA-O 3.31Å; F75-G197 WeakPolarHBondContact CD1-O 3.43Å; F75-G197 PolarHBondContact N-O 3.11Å; F75-G197 PolarHBondContact O-N 3.13Å; S123-G197 CarbonylContact O-C 3.5Å; S123-G197 WeakPolarHBondContact O-CA 3.44Å |
| 198 | F | 97.2 | Very high | 93.6 | Very high | 69 Ų | 69 | 40.9 Ų | 40.9 | 30% | 0.303 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 157 | -177 | 60.8 | -85 | 0 | 0 | 0 | 111.8 | L44 V46 V73 A74 Y122 S123 V200 | L44-F198 HydrophobicContact CD2-CE2 3.47Å; L44-F198 VanDerWaalsContact CD2-CE2 3.47Å; L44-F198 HydrophobicContact CD2-CZ 3.45Å; L44-F198 VanDerWaalsContact CD2-CZ 3.45Å; V46-F198 HydrophobicContact CG2-CE2 4.45Å; V73-F198 CarbonylContact O-C 3.53Å; V73-F198 VanDerWaalsContact O-CA 3.23Å; V73-F198 WeakPolarHBondContact O-CA 3.48Å; V73-F198 VanDerWaalsContact O-CB 3.31Å; V73-F198 WeakPolarHBondContact O-CB 3.28Å; A74-F198 HydrophobicContact CB-CB 3.82Å; Y122-F198 CarbonylContact C-O 3.59Å; Y122-F198 VanDerWaalsContact CA-O 3.29Å; Y122-F198 WeakPolarHBondContact CA-O 3.37Å; S123-F198 PolarHBondContact N-O 3.07Å; S123-F198 PolarHBondContact O-N 2.74Å; F198-V200 HydrophobicContact CE2-CG2 4.18Å; F198-V200 PolarHBondContact O-N 3.01Å |
| 199 | L | 95.6 | Very high | 94.2 | Very high | 16 Ų | 16 | 41.9 Ų | 41.9 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 121.9 | 171.7 | 175.7 | 62.3 | 0 | 0 | 0 | 109.2 | V73 Y122 F201 P202 | V73-L199 HydrophobicContact CB-CB 3.76Å; V73-L199 HydrophobicContact CG2-CB 4.29Å; V73-L199 HydrophobicContact CG2-CD2 4.15Å; V73-L199 PolarHBondContact O-N 2.92Å; Y122-L199 HydrophobicContact CD1-CB 3.96Å; Y122-L199 HydrophobicContact CD1-CD1 4.23Å; Y122-L199 HydrophobicContact CD2-CD1 4.24Å; Y122-L199 HydrophobicContact CE1-CB 3.68Å; Y122-L199 HydrophobicContact CE1-CD1 3.84Å; Y122-L199 HydrophobicContact CE1-CG 4.29Å; Y122-L199 HydrophobicContact CE2-CD1 3.86Å; Y122-L199 HydrophobicContact CG-CD1 4.42Å; L199-F201 VanDerWaalsContact CD1-C 3.45Å; L199-F201 VanDerWaalsContact CD1-O 3.26Å; L199-F201 WeakPolarHBondContact CD1-O 3.35Å; L199-P202 HydrophobicContact CD2-CB 4.34Å |
| 200 | V | 93.7 | Very high | 94.7 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 15% | 0.152 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -52.8 | 174 | -172 | 0 | 0 | 0 | 0 | 109.4 | L44 V46 V121 L168 F198 | L44-V200 HydrophobicContact CD2-CG1 4.16Å; L44-V200 HydrophobicContact CD2-CG2 4.2Å; V46-V200 HydrophobicContact CG2-CG1 4.25Å; V121-V200 HydrophobicContact CG1-CG2 4.48Å; V121-V200 WeakPolarHBondContact O-CB 3.44Å; V121-V200 PolarHBondContact O-N 3.07Å; L168-V200 HydrophobicContact CD2-CG2 3.99Å; F198-V200 HydrophobicContact CE2-CG2 4.18Å; F198-V200 PolarHBondContact O-N 3.01Å |
| 201 | F | 89.2 | Confident | 94.8 | Very high | 102 Ų | 102 | 48.3 Ų | 48.3 | 45% | 0.447 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 143.7 | 171.4 | 50 | -98.1 | 0 | 0 | 0 | 111.2 | G120 V121 L199 L203 | G120-F201 WeakPolarHBondContact CA-O 3.42Å; V121-F201 HydrophobicContact CB-CD2 4.35Å; V121-F201 HydrophobicContact CB-CE1 4.26Å; V121-F201 HydrophobicContact CB-CE2 3.82Å; V121-F201 HydrophobicContact CB-CZ 3.76Å; V121-F201 HydrophobicContact CG1-CZ 4.33Å; V121-F201 HydrophobicContact CG2-CD2 4.34Å; V121-F201 HydrophobicContact CG2-CE2 3.46Å; V121-F201 VanDerWaalsContact CG2-CE2 3.46Å; V121-F201 HydrophobicContact CG2-CZ 3.58Å; V121-F201 PolarHBondContact N-O 3.07Å; L199-F201 VanDerWaalsContact CD1-C 3.45Å; L199-F201 VanDerWaalsContact CD1-O 3.26Å; L199-F201 WeakPolarHBondContact CD1-O 3.35Å; F201-L203 HydrophobicContact CD2-CD2 4.08Å; F201-L203 HydrophobicContact CD2-CG 4.37Å; F201-L203 HydrophobicContact CE2-CD2 3.96Å; F201-L203 HydrophobicContact CE2-CG 4.34Å |
| 202 | P | 91.6 | Very high | 94.9 | Very high | 51 Ų | 51 | 49 Ų | 49 | 33% | 0.331 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 157.5 | 172.3 | 32 | -34.8 | 0 | 0 | 0 | 111.6 | R118 L199 | R118-P202 VanDerWaalsContact CZ-CB 3.42Å; L199-P202 HydrophobicContact CD2-CB 4.34Å |
| 203 | L | 85.7 | Confident | 94.9 | Very high | 122 Ų | 122 | 42.1 Ų | 42.1 | 64% | 0.639 | 23% | 0.225 | S | C | * | . | trans | -120.9 | 0 | 172.8 | -67 | 173.3 | 0 | 0 | 0 | 111.6 | K119 V121 Y170 F201 | K119-L203 HydrophobicContact CD-CB 4.41Å; K119-L203 HydrophobicContact CG-CB 4.11Å; K119-L203 PolarHBondContact O-N 3.49Å; K119-L203 VanDerWaalsContact O-N 3.11Å; V121-L203 HydrophobicContact CG2-CD1 4.34Å; Y170-L203 HydrophobicContact CD2-CD1 3.62Å; Y170-L203 HydrophobicContact CE2-CD1 3.45Å; Y170-L203 VanDerWaalsContact CE2-CD1 3.45Å; F201-L203 HydrophobicContact CD2-CD2 4.08Å; F201-L203 HydrophobicContact CD2-CG 4.37Å; F201-L203 HydrophobicContact CE2-CD2 3.96Å; F201-L203 HydrophobicContact CE2-CG 4.34Å |
Retrieved 203 of 203 residues in 56.6 ms
(Link to these results)