| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.6 | Very low | 44.9 | Very low | 228 Ų | 228 | 163.2 Ų | 163.2 | 100% | 1.123 | 81% | 0.812 | S | S | * | * | 0 | 3.2 | 0 | -120.4 | 175.7 | -178.1 | 0 | 0 | 114.8 | |||||
| 2 | F | 39.8 | Very low | 45.4 | Very low | 200 Ų | 200 | 155.5 Ų | 155.5 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -111.4 | 20.7 | -177.6 | -81.7 | -81.1 | 0 | 0 | 0 | 115.1 | ||||
| 3 | L | 41.5 | Very low | 45.9 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -96.9 | 4.3 | 172.3 | -121.9 | 95.1 | 0 | 0 | 0 | 113.9 | ||
| 4 | Q | 42.9 | Very low | 46.4 | Very low | 173 Ų | 173 | 146 Ų | 146 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -111.9 | 6.8 | -172.5 | -144 | 170.9 | 0.1 | 0 | 0 | 114.9 | ||
| 5 | F | 42.9 | Very low | 47.2 | Very low | 184 Ų | 184 | 143.3 Ų | 143.3 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -117.1 | -0 | -177.7 | -91.5 | -78.7 | 0 | 0 | 0 | 116.4 | ||
| 6 | A | 46.5 | Very low | 47.5 | Very low | 89 Ų | 89 | 141 Ų | 141 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -99 | -12.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | W8 | A6-W8 VanDerWaalsContact C-N 3.33Š|
| 7 | V | 47.1 | Very low | 48 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 66% | 0.661 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -6.5 | -177.7 | -173.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 8 | W | 46.7 | Very low | 48.3 | Very low | 233 Ų | 233 | 134.3 Ų | 134.3 | 88% | 0.883 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 13.7 | -173.1 | -102.4 | 48.3 | 0 | 0 | 0 | 116.4 | A6 | A6-W8 VanDerWaalsContact C-N 3.33Š|
| 9 | K | 48.5 | Very low | 48.6 | Very low | 176 Ų | 176 | 129.9 Ų | 129.9 | 77% | 0.765 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -121.9 | -8.3 | 175 | -78.9 | -169 | 174.5 | -176.3 | 0 | 117.1 | ||
| 10 | C | 48.3 | Very low | 48.7 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 73% | 0.73 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -102.6 | -11.2 | 177.4 | -66 | 0 | 0 | 0 | 0 | 115 | ||
| 11 | L | 51.4 | Low | 48.7 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 63% | 0.628 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.6 | -36.5 | 179.4 | -131.4 | 86 | 0 | 0 | 0 | 115.6 | H13 G14 I15 | L11-H13 VanDerWaalsContact C-N 3.31Å; L11-H13 PolarHBondContact O-N 3.14Å; L11-G14 PolarHBondContact O-N 3.46Å; L11-I15 HydrophobicContact CD2-CD1 4.35Å; L11-I15 PolarHBondContact O-N 3.32Å |
| 12 | P | 51.2 | Low | 49.3 | Very low | 71 Ų | 71 | 121.2 Ų | 121.2 | 46% | 0.461 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -76.3 | -18.9 | -174.6 | 27.6 | -30.3 | 0 | 0 | 0 | 113.2 | L16 | P12-L16 PolarHBondContact O-N 2.75Å |
| 13 | H | 51.6 | Low | 49.8 | Very low | 133 Ų | 133 | 116.6 Ų | 116.6 | 62% | 0.616 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -80.3 | -31.3 | 176.5 | -68.1 | 82.4 | 0 | 0 | 0 | 112.2 | L11 I17 | L11-H13 VanDerWaalsContact C-N 3.31Å; L11-H13 PolarHBondContact O-N 3.14Å; H13-I17 WeakPolarHBondContact O-CD1 3.47Å; H13-I17 WeakPolarHBondContact O-CG1 3.29Å; H13-I17 PolarHBondContact O-N 3.34Å |
| 14 | G | 53.1 | Low | 50.1 | Low | 45 Ų | 45 | 111.3 Ų | 111.3 | 46% | 0.464 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.2 | -37.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L11 A18 | L11-G14 PolarHBondContact O-N 3.46Å; G14-A18 WeakPolarHBondContact O-CB 3.29Å; G14-A18 PolarHBondContact O-N 3.05Å |
| 15 | I | 57.3 | Low | 50 | Low | 105 Ų | 105 | 112.5 Ų | 112.5 | 54% | 0.538 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -73.9 | -40.1 | -178.5 | -60.6 | 170.7 | 0 | 0 | 0 | 110.9 | L11 I17 A18 S19 | L11-I15 HydrophobicContact CD2-CD1 4.35Å; L11-I15 PolarHBondContact O-N 3.32Å; I15-I17 VanDerWaalsContact C-N 3.35Å; I15-I17 PolarHBondContact O-N 3.29Å; I15-A18 PolarHBondContact O-N 2.99Å; I15-S19 WeakPolarHBondContact O-CB 3.31Å; I15-S19 PolarHBondContact O-N 3.17Å; I15-S19 PolarHBondContact O-OG 3.43Å |
| 16 | L | 53.4 | Low | 50.1 | Low | 107 Ų | 107 | 106.1 Ų | 106.1 | 56% | 0.56 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.1 | -41 | 176.8 | -99.6 | 152.2 | 0 | 0 | 0 | 112.3 | P12 S19 L20 | P12-L16 PolarHBondContact O-N 2.75Å; L16-S19 WeakPolarHBondContact CA-OG 3.5Å; L16-S19 PolarHBondContact O-OG 2.85Å; L16-L20 HydrophobicContact CD2-CD1 4.49Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 PolarHBondContact O-N 3.25Å |
| 17 | I | 54.6 | Low | 50.2 | Low | 109 Ų | 109 | 108.8 Ų | 108.8 | 56% | 0.559 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.6 | -40.5 | 177.6 | -63.9 | 170 | 0 | 0 | 0 | 110.9 | H13 I15 L20 L21 | H13-I17 WeakPolarHBondContact O-CD1 3.47Å; H13-I17 WeakPolarHBondContact O-CG1 3.29Å; H13-I17 PolarHBondContact O-N 3.34Å; I15-I17 VanDerWaalsContact C-N 3.35Å; I15-I17 PolarHBondContact O-N 3.29Å; I17-L20 PolarHBondContact O-N 2.81Å; I17-L21 HydrophobicContact CG2-CD1 3.9Å; I17-L21 WeakPolarHBondContact O-CB 3.47Å; I17-L21 PolarHBondContact O-N 2.78Å |
| 18 | A | 53.7 | Low | 50.2 | Low | 52 Ų | 52 | 108.3 Ų | 108.3 | 43% | 0.43 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.5 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G14 I15 L21 V22 | G14-A18 WeakPolarHBondContact O-CB 3.29Å; G14-A18 PolarHBondContact O-N 3.05Å; I15-A18 PolarHBondContact O-N 2.99Å; A18-L21 PolarHBondContact O-N 3.06Å; A18-V22 WeakPolarHBondContact O-CB 3.48Å; A18-V22 VanDerWaalsContact O-CG2 3.28Å; A18-V22 WeakPolarHBondContact O-CG2 3.03Å; A18-V22 PolarHBondContact O-N 2.99Å |
| 19 | S | 54.8 | Low | 50.9 | Low | 51 Ų | 51 | 102 Ų | 102 | 36% | 0.357 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.9 | -35.7 | 176 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | I15 L16 V23 | I15-S19 WeakPolarHBondContact O-CB 3.31Å; I15-S19 PolarHBondContact O-N 3.17Å; I15-S19 PolarHBondContact O-OG 3.43Å; L16-S19 WeakPolarHBondContact CA-OG 3.5Å; L16-S19 PolarHBondContact O-OG 2.85Å; S19-V23 VanDerWaalsContact O-CB 3.26Å; S19-V23 WeakPolarHBondContact O-CB 3.21Å; S19-V23 WeakPolarHBondContact O-CG2 3.38Å; S19-V23 PolarHBondContact O-N 3.41Å |
| 20 | L | 50.4 | Low | 51.9 | Low | 115 Ų | 115 | 96.5 Ų | 96.5 | 60% | 0.602 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.1 | -34.3 | 174.6 | -84.5 | 158.3 | 0 | 0 | 0 | 111.8 | L16 I17 S24 | L16-L20 HydrophobicContact CD2-CD1 4.49Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 PolarHBondContact O-N 3.25Å; I17-L20 PolarHBondContact O-N 2.81Å; L20-S24 VanDerWaalsContact O-CB 3.26Å; L20-S24 WeakPolarHBondContact O-CB 3.11Å; L20-S24 PolarHBondContact O-N 2.81Å; L20-S24 PolarHBondContact O-OG 2.77Å |
| 21 | L | 48.5 | Very low | 53.3 | Low | 87 Ų | 87 | 92 Ų | 92 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.7 | -40.6 | 173.6 | -81.9 | 159.6 | 0 | 0 | 0 | 112.3 | I17 A18 S24 W25 | I17-L21 HydrophobicContact CG2-CD1 3.9Å; I17-L21 WeakPolarHBondContact O-CB 3.47Å; I17-L21 PolarHBondContact O-N 2.78Å; A18-L21 PolarHBondContact O-N 3.06Å; L21-S24 PolarHBondContact O-OG 2.95Å; L21-W25 VanDerWaalsContact O-CB 3.31Å; L21-W25 WeakPolarHBondContact O-CB 3.35Å; L21-W25 PolarHBondContact O-N 3.19Å |
| 22 | V | 51.5 | Low | 54.8 | Low | 104 Ų | 104 | 86.3 Ų | 86.3 | 63% | 0.63 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -73.7 | -35.1 | 178.6 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | A18 G26 | A18-V22 WeakPolarHBondContact O-CB 3.48Å; A18-V22 VanDerWaalsContact O-CG2 3.28Å; A18-V22 WeakPolarHBondContact O-CG2 3.03Å; A18-V22 PolarHBondContact O-N 2.99Å; V22-G26 WeakPolarHBondContact O-CA 3.37Å; V22-G26 PolarHBondContact O-N 3Å |
| 23 | V | 49.3 | Very low | 56.2 | Low | 102 Ų | 102 | 87.6 Ų | 87.6 | 62% | 0.618 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -75.1 | -31.6 | 176.6 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | S19 | S19-V23 VanDerWaalsContact O-CB 3.26Å; S19-V23 WeakPolarHBondContact O-CB 3.21Å; S19-V23 WeakPolarHBondContact O-CG2 3.38Å; S19-V23 PolarHBondContact O-N 3.41Å |
| 24 | S | 47.5 | Very low | 57.4 | Low | 65 Ų | 65 | 83 Ų | 83 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -79.7 | -22.9 | 175.1 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | L20 L21 | L20-S24 VanDerWaalsContact O-CB 3.26Å; L20-S24 WeakPolarHBondContact O-CB 3.11Å; L20-S24 PolarHBondContact O-N 2.81Å; L20-S24 PolarHBondContact O-OG 2.77Å; L21-S24 PolarHBondContact O-OG 2.95Å |
| 25 | W | 41.8 | Very low | 58.6 | Low | 198 Ų | 198 | 84 Ų | 84 | 75% | 0.75 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -99.9 | -27.6 | 178.6 | -72.5 | 21.4 | 0 | 0 | 0 | 113.6 | L21 Q27 | L21-W25 VanDerWaalsContact O-CB 3.31Å; L21-W25 WeakPolarHBondContact O-CB 3.35Å; L21-W25 PolarHBondContact O-N 3.19Å; W25-Q27 VanDerWaalsContact C-N 3.33Å; W25-Q27 PolarHBondContact O-N 2.92Å |
| 26 | G | 44.5 | Very low | 59.4 | Low | 50 Ų | 50 | 83 Ų | 83 | 52% | 0.515 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -75.6 | -16.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V22 | V22-G26 WeakPolarHBondContact O-CA 3.37Å; V22-G26 PolarHBondContact O-N 3Å |
| 27 | Q | 48.8 | Very low | 59.9 | Low | 144 Ų | 144 | 82 Ų | 82 | 67% | 0.673 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -10.8 | -176.6 | -140.6 | 175 | 3.3 | 0 | 0 | 113.7 | W25 | W25-Q27 VanDerWaalsContact C-N 3.33Å; W25-Q27 PolarHBondContact O-N 2.92Å |
| 28 | Y | 48.1 | Very low | 60.2 | Low | 99 Ų | 99 | 79.4 Ų | 79.4 | 39% | 0.388 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -12.4 | -173.5 | -68.5 | -67 | 0 | 0 | 0 | 115.2 | D30 T72 N122 K124 | Y28-D30 VanDerWaalsContact C-N 3.27Å; Y28-D30 PolarHBondContact O-N 3.16Å; Y28-T72 HydrophobicContact CE1-CG2 4.34Å; Y28-N122 PolarHBondContact O-ND2 2.87Å; Y28-K124 HydrophobicContact CD1-CD 3.79Å; Y28-K124 HydrophobicContact CE1-CD 4.21Å; Y28-K124 HydrophobicContact CG-CD 4.09Å; Y28-K124 PolarHBondContact OH-NZ 2.78Å |
| 29 | D | 60 | Low | 60.7 | Low | 101 Ų | 101 | 81.3 Ų | 81.3 | 54% | 0.54 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -6.9 | -178.8 | -150.4 | 19.9 | 0 | 0 | 0 | 113.2 | ||
| 30 | D | 69.8 | Low | 61.2 | Low | 60 Ų | 60 | 84.2 Ų | 84.2 | 32% | 0.321 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -5.4 | 179.2 | -109.5 | 19.9 | 0 | 0 | 0 | 113.4 | Y28 K33 K63 | Y28-D30 VanDerWaalsContact C-N 3.27Å; Y28-D30 PolarHBondContact O-N 3.16Å; D30-K33 WeakPolarHBondContact O-CB 3.35Å; D30-K33 PolarHBondContact O-N 3.38Å; D30-K33 IonicContact OD1-NZ 3.27Å; D30-K33 PolarHBondContact OD1-NZ 3.5Å; D30-K63 HydrophobicContact CB-CD 4.2Å; D30-K63 IonicContact OD2-NZ 3.74Å; D30-K63 PolarHBondContact OD2-NZ 2.86Å |
| 31 | D | 78.7 | Confident | 62.2 | Low | 15 Ų | 15 | 79.6 Ų | 79.6 | 8% | 0.08 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 145.4 | 174.7 | -86.5 | 1.9 | 0 | 0 | 0 | 110.3 | K33 K63 G64 T72 I73 N122 | D31-K33 VanDerWaalsContact C-N 3.3Å; D31-K33 PolarHBondContact O-N 3.32Å; D31-K63 WeakPolarHBondContact CA-O 3.35Å; D31-G64 WeakPolarHBondContact OD1-CA 3.41Å; D31-G64 PolarHBondContact OD1-N 2.82Å; D31-T72 WeakPolarHBondContact OD2-CB 3.36Å; D31-T72 PolarHBondContact OD2-OG1 3.41Å; D31-I73 HydrophobicContact CB-CG2 3.77Å; D31-N122 WeakPolarHBondContact CB-ND2 3.39Å |
| 32 | C | 81.3 | Confident | 63.8 | Low | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -8 | -168.2 | -66 | 0 | 0 | 0 | 0 | 117.5 | K63 C120 N122 I129 H131 | C32-K63 PolarHBondContact N-O 2.81Å; C32-C120 WeakPolarHBondContact CA-SG 3.2Å; C32-C120 HydrophobicContact CB-CB 3.6Å; C32-C120 WeakPolarHBondContact CB-SG 3.14Å; C32-C120 WeakPolarHBondContact SG-CB 3.32Å; C32-C120 PolarHBondContact SG-O 3.08Å; C32-C120 VanDerWaalsContact SG-O 3.41Å; C32-C120 CovalentContact SG-SG 2.04Å; C32-C120 PolarHBondContact SG-SG 3.47Å; C32-N122 PolarHBondContact SG-N 2.88Å; C32-I129 HydrophobicContact CB-CB 4.18Å; C32-I129 HydrophobicContact CB-CD1 3.91Å; C32-I129 HydrophobicContact CB-CG1 4.2Å; C32-H131 PolarHBondContact O-CE1 3.03Å; C32-H131 PolarHBondContact O-NE2 2.91Å |
| 33 | K | 81.9 | Confident | 65.3 | Low | 97 Ų | 97 | 76.7 Ų | 76.7 | 42% | 0.422 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -80.3 | 151.2 | 170.9 | -63.2 | 178.5 | -169.2 | 161.4 | 0 | 111 | D30 D31 K63 I129 | D30-K33 WeakPolarHBondContact O-CB 3.35Å; D30-K33 PolarHBondContact O-N 3.38Å; D30-K33 IonicContact OD1-NZ 3.27Å; D30-K33 PolarHBondContact OD1-NZ 3.5Å; D31-K33 VanDerWaalsContact C-N 3.3Å; D31-K33 PolarHBondContact O-N 3.32Å; K33-K63 WeakPolarHBondContact O-CB 3.34Å; K33-K63 WeakPolarHBondContact O-CG 3.45Å; K33-K63 PolarHBondContact O-N 3.45Å; K33-I129 HydrophobicContact CG-CD1 4.1Å |
| 34 | L | 75.7 | Confident | 67 | Low | 36 Ų | 36 | 73.2 Ų | 73.2 | 19% | 0.188 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -67.6 | 135.5 | 172.1 | -68.2 | 166.9 | 0 | 0 | 0 | 110 | R36 M60 L61 I62 | L34-R36 VanDerWaalsContact C-N 3.27Å; L34-R36 HydrophobicContact CB-CG 4.32Å; L34-M60 WeakPolarHBondContact CD2-O 3.38Å; L34-L61 CarbonylContact C-O 3.59Å; L34-I62 HydrophobicContact CD2-CG1 4.05Å |
| 35 | A | 78.1 | Confident | 68.9 | Low | 66 Ų | 66 | 72.8 Ų | 72.8 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -75.8 | -18 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L61 K63 | A35-L61 HydrophobicContact CB-CB 4.37Å; A35-L61 WeakPolarHBondContact CB-O 3.32Å; A35-L61 PolarHBondContact N-O 2.89Å; A35-K63 HydrophobicContact CB-CG 4.02Å |
| 36 | R | 75.6 | Confident | 71.2 | Confident | 86 Ų | 86 | 63.8 Ų | 63.8 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -92.4 | 146 | 177 | 67.5 | -178.3 | -169.8 | -161.6 | -1.1 | 111.7 | L34 T42 L61 | L34-R36 VanDerWaalsContact C-N 3.27Å; L34-R36 HydrophobicContact CB-CG 4.32Å; R36-T42 PolarHBondContact NH2-OG1 2.89Å; R36-L61 HydrophobicContact CB-CD1 4.34Å |
| 37 | G | 63.1 | Low | 73.3 | Confident | 84 Ų | 84 | 63.3 Ų | 63.3 | 87% | 0.866 | 38% | 0.38 | S | S | * | . | trans | -82.1 | 133.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 38 | G | 61.3 | Low | 75.2 | Confident | 56 Ų | 56 | 56.4 Ų | 56.4 | 58% | 0.577 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 164.2 | 178.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 39 | P | 63.9 | Low | 77 | Confident | 91 Ų | 91 | 56.2 Ų | 56.2 | 59% | 0.591 | 35% | 0.35 | S | S | * | . | trans | -55.6 | 148.8 | 175.4 | 23.1 | -31.9 | 0 | 0 | 0 | 111 | A41 | P39-A41 PolarHBondContact O-N 2.89Š| ||
| 40 | P | 66.2 | Low | 78.3 | Confident | 113 Ų | 113 | 52.5 Ų | 52.5 | 73% | 0.734 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -64.5 | -23 | -176.8 | 24 | -32.3 | 0 | 0 | 0 | 112.9 | ||
| 41 | A | 71.6 | Confident | 79.1 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -97.8 | 140 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P39 E132 | P39-A41 PolarHBondContact O-N 2.89Å; A41-E132 CarbonylContact C-O 3.58Å; A41-E132 VanDerWaalsContact CA-O 3.29Å; A41-E132 WeakPolarHBondContact CA-O 3.2Å; A41-E132 HydrophobicContact CB-CB 4.18Å |
| 42 | T | 81.3 | Confident | 79.5 | Confident | 10 Ų | 10 | 62.8 Ų | 62.8 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 118.9 | 169.3 | -49.2 | 0 | 0 | 0 | 0 | 108.6 | R36 V44 V57 E132 V133 R134 | R36-T42 PolarHBondContact NH2-OG1 2.89Å; T42-V44 HydrophobicContact CG2-CG2 4.11Å; T42-V57 HydrophobicContact CG2-CG2 4.17Å; T42-E132 PolarHBondContact N-O 2.95Å; T42-V133 CarbonylContact O-C 3.59Å; T42-V133 WeakPolarHBondContact O-CA 3.33Å; T42-R134 PolarHBondContact O-N 2.83Å |
| 43 | I | 82.1 | Confident | 79.6 | Confident | 120 Ų | 120 | 64.7 Ų | 64.7 | 62% | 0.615 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 125.4 | 174.4 | -54.6 | 176.4 | 0 | 0 | 0 | 108.3 | R134 V136 | I43-R134 CarbonylContact C-O 3.59Å; I43-R134 VanDerWaalsContact CA-O 3.32Å; I43-R134 WeakPolarHBondContact CA-O 3.35Å; I43-R134 HydrophobicContact CG1-CB 4.45Å; I43-V136 HydrophobicContact CG2-CG2 4.05Å |
| 44 | V | 86.7 | Confident | 79.9 | Confident | 28 Ų | 28 | 62.3 Ų | 62.3 | 17% | 0.17 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 139.5 | 176.7 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | T42 L56 V57 R134 I135 V136 | T42-V44 HydrophobicContact CG2-CG2 4.11Å; V44-L56 VanDerWaalsContact CG1-O 3.24Å; V44-L56 WeakPolarHBondContact CG1-O 3.15Å; V44-L56 WeakPolarHBondContact CG2-O 3.36Å; V44-V57 HydrophobicContact CG2-CG2 3.67Å; V44-R134 PolarHBondContact N-O 3.01Å; V44-I135 CarbonylContact O-C 3.58Å; V44-I135 VanDerWaalsContact O-CA 3.31Å; V44-I135 WeakPolarHBondContact O-CA 3.4Å; V44-V136 PolarHBondContact O-N 2.94Å |
| 45 | A | 86.8 | Confident | 80.6 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 47% | 0.471 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | V136 R138 | A45-V136 CarbonylContact C-O 3.53Å; A45-V136 VanDerWaalsContact CA-O 3.29Å; A45-V136 WeakPolarHBondContact CA-O 3.38Å; A45-R138 HydrophobicContact CB-CG 4.07Å |
| 46 | I | 90 | Very high | 81 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 5% | 0.046 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 145.4 | 173.9 | -170.2 | 159.3 | 0 | 0 | 0 | 108.3 | S50 T54 L56 L96 L103 I135 V136 V137 R138 | I46-S50 WeakPolarHBondContact CG1-OG 3.5Å; I46-T54 HydrophobicContact CD1-CG2 3.7Å; I46-L56 HydrophobicContact CB-CD2 4.34Å; I46-L56 HydrophobicContact CD1-CD2 3.54Å; I46-L56 HydrophobicContact CG2-CD2 4.43Å; I46-L96 HydrophobicContact CD1-CB 4.24Å; I46-L96 HydrophobicContact CD1-CD2 3.8Å; I46-L96 HydrophobicContact CD1-CG 4.49Å; I46-L103 HydrophobicContact CG2-CD2 3.92Å; I46-I135 HydrophobicContact CB-CG2 4.36Å; I46-I135 HydrophobicContact CG2-CG2 3.45Å; I46-I135 VanDerWaalsContact CG2-CG2 3.45Å; I46-V136 PolarHBondContact N-O 3.4Å; I46-V137 CarbonylContact O-C 3.55Å; I46-V137 WeakPolarHBondContact O-CA 3.44Å; I46-R138 PolarHBondContact O-N 2.87Å |
| 47 | D | 87.7 | Confident | 81.6 | Confident | 39 Ų | 39 | 58.7 Ų | 58.7 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 146.8 | 172.6 | -62.3 | -13.7 | 0 | 0 | 0 | 109.2 | S50 R138 R140 | D47-S50 VanDerWaalsContact O-CB 3.23Å; D47-S50 WeakPolarHBondContact O-CB 3.29Å; D47-S50 PolarHBondContact O-N 3.28Å; D47-S50 PolarHBondContact O-OG 3.29Å; D47-R138 IonicContact OD1-CZ 3.38Å; D47-R138 IonicContact OD1-NE 2.84Å; D47-R138 PolarHBondContact OD1-NE 3.11Å; D47-R138 IonicContact OD1-NH2 3.31Å; D47-R138 PolarHBondContact OD1-NH2 3.42Å; D47-R138 IonicContact OD2-NH2 2.83Å; D47-R140 HydrophobicContact CB-CG 3.87Å; D47-R140 IonicContact OD2-NH1 2.75Å; D47-R140 PolarHBondContact OD2-NH1 3.33Å |
| 48 | E | 89.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 164.4 | 163.7 | 76.1 | -168.6 | 113.8 | 0 | 0 | 111.9 | S50 L103 R105 V137 R138 D139 R140 | E48-S50 PolarHBondContact O-N 3.21Å; E48-L103 CarbonylContact C-O 3.56Å; E48-L103 WeakPolarHBondContact CA-O 3.46Å; E48-L103 WeakPolarHBondContact CB-O 3.33Å; E48-R105 HydrophobicContact CB-CB 4.23Å; E48-R105 WeakPolarHBondContact OE2-CA 3.22Å; E48-R105 WeakPolarHBondContact OE2-CB 3.24Å; E48-R105 PolarHBondContact OE2-N 2.81Å; E48-V137 HydrophobicContact CB-CG1 3.72Å; E48-R138 PolarHBondContact N-O 2.84Å; E48-D139 WeakPolarHBondContact OE1-CA 3.18Å; E48-R140 HydrophobicContact CG-CB 3.72Å; E48-R140 HydrophobicContact CG-CG 3.73Å; E48-R140 PolarHBondContact OE1-N 3.46Å |
| 49 | E | 85.9 | Confident | 83.8 | Confident | 94 Ų | 94 | 60.9 Ų | 60.9 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 11.8 | -170.6 | -51.5 | -161.6 | 116.4 | 0 | 0 | 115.1 | R51 V102 L103 | E49-R51 PolarHBondContact O-N 3.49Å; E49-V102 HydrophobicContact CB-CG1 4.2Å; E49-V102 HydrophobicContact CG-CG1 3.87Å; E49-L103 PolarHBondContact N-O 2.58Å |
| 50 | S | 88.1 | Confident | 84.7 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 16% | 0.161 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -56 | 134.6 | 177.6 | -77.8 | 0 | 0 | 0 | 0 | 110.7 | I46 D47 E48 L96 | I46-S50 WeakPolarHBondContact CG1-OG 3.5Å; D47-S50 VanDerWaalsContact O-CB 3.23Å; D47-S50 WeakPolarHBondContact O-CB 3.29Å; D47-S50 PolarHBondContact O-N 3.28Å; D47-S50 PolarHBondContact O-OG 3.29Å; E48-S50 PolarHBondContact O-N 3.21Å; S50-L96 VanDerWaalsContact O-CD2 3.26Å; S50-L96 WeakPolarHBondContact O-CD2 3.49Å |
| 51 | R | 85.8 | Confident | 85.6 | Confident | 211 Ų | 211 | 54.8 Ų | 54.8 | 80% | 0.796 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 146.5 | -172.4 | -64.7 | -178.4 | -177.8 | -178.8 | 1.1 | 111 | E49 G53 T54 | E49-R51 PolarHBondContact O-N 3.49Å; R51-G53 PolarHBondContact O-N 2.99Å; R51-T54 PolarHBondContact N-OG1 3.13Å; R51-T54 WeakPolarHBondContact O-CB 3.36Å; R51-T54 PolarHBondContact O-N 2.85Å; R51-T54 PolarHBondContact O-OG1 3.5Å |
| 52 | N | 86.9 | Confident | 86.3 | Confident | 81 Ų | 81 | 54.3 Ų | 54.3 | 43% | 0.433 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 134.6 | 171.5 | -176.2 | 37.9 | 0 | 0 | 0 | 111.1 | L96 N97 S98 T99 | N52-L96 PolarHBondContact OD1-O 2.9Å; N52-N97 WeakPolarHBondContact OD1-CA 3.43Å; N52-S98 PolarHBondContact OD1-N 2.8Å; N52-T99 WeakPolarHBondContact ND2-CG2 2.99Å |
| 53 | G | 84.6 | Confident | 86.4 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 40% | 0.402 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 5.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | R51 I55 L96 | R51-G53 PolarHBondContact O-N 2.99Å; G53-I55 PolarHBondContact O-N 2.88Å; G53-L96 WeakPolarHBondContact CA-O 3.34Å; G53-L96 PolarHBondContact N-O 3.18Å |
| 54 | T | 88 | Confident | 86.4 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 29% | 0.288 | 29% | 0.286 | S | S | . | . | trans | -58.8 | 132.6 | 172.8 | -60.8 | 0 | 0 | 0 | 0 | 110.1 | I46 R51 L56 F95 L96 | I46-T54 HydrophobicContact CD1-CG2 3.7Å; R51-T54 PolarHBondContact N-OG1 3.13Å; R51-T54 WeakPolarHBondContact O-CB 3.36Å; R51-T54 PolarHBondContact O-N 2.85Å; R51-T54 PolarHBondContact O-OG1 3.5Å; T54-L56 PolarHBondContact O-N 3.38Å; T54-F95 CarbonylContact O-C 3.17Å; T54-F95 WeakPolarHBondContact O-CA 3.15Å; T54-L96 PolarHBondContact O-N 2.81Å | ||
| 55 | I | 89.1 | Confident | 86.2 | Confident | 90 Ų | 90 | 55.3 Ų | 55.3 | 46% | 0.462 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 114.2 | -179.6 | -59.5 | 170.7 | 0 | 0 | 0 | 108.3 | G53 D58 M93 F95 | G53-I55 PolarHBondContact O-N 2.88Å; I55-D58 HydrophobicContact CG2-CB 3.98Å; I55-M93 HydrophobicContact CD1-CE 3.87Å; I55-M93 HydrophobicContact CG1-CE 3.96Å; I55-M93 HydrophobicContact CG2-CE 3.94Å; I55-F95 HydrophobicContact CG1-CD1 3.97Å; I55-F95 HydrophobicContact CG1-CE1 3.77Å |
| 56 | L | 87.9 | Confident | 85.9 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -48.5 | 173.6 | -63.4 | 166.5 | 0 | 0 | 0 | 109.8 | V44 I46 T54 V85 L94 F95 L96 I135 | V44-L56 VanDerWaalsContact CG1-O 3.24Å; V44-L56 WeakPolarHBondContact CG1-O 3.15Å; V44-L56 WeakPolarHBondContact CG2-O 3.36Å; I46-L56 HydrophobicContact CB-CD2 4.34Å; I46-L56 HydrophobicContact CD1-CD2 3.54Å; I46-L56 HydrophobicContact CG2-CD2 4.43Å; T54-L56 PolarHBondContact O-N 3.38Å; L56-V85 HydrophobicContact CD1-CB 4.45Å; L56-V85 HydrophobicContact CD1-CG1 4.05Å; L56-V85 HydrophobicContact CD1-CG2 3.93Å; L56-L94 HydrophobicContact CB-CB 4.05Å; L56-L94 WeakPolarHBondContact CB-O 3.26Å; L56-L94 HydrophobicContact CD1-CB 4.45Å; L56-L94 PolarHBondContact N-O 2.92Å; L56-F95 VanDerWaalsContact CD1-C 3.49Å; L56-L96 HydrophobicContact CD1-CB 4.3Å; L56-L96 HydrophobicContact CD2-CB 4.27Å; L56-L96 HydrophobicContact CG-CB 4.2Å; L56-I135 HydrophobicContact CD1-CD1 3.68Å; L56-I135 HydrophobicContact CD1-CG1 4.48Å; L56-I135 HydrophobicContact CD2-CD1 4.24Å; L56-I135 HydrophobicContact CD2-CG1 4.31Å; L56-I135 HydrophobicContact CD2-CG2 3.93Å; L56-I135 HydrophobicContact CG-CD1 4.49Å |
| 57 | V | 86.5 | Confident | 85.3 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 117.6 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | T42 V44 M60 M93 L94 V133 | T42-V57 HydrophobicContact CG2-CG2 4.17Å; V44-V57 HydrophobicContact CG2-CG2 3.67Å; V57-M60 HydrophobicContact CB-CG 4.49Å; V57-M60 HydrophobicContact CG1-CG 3.78Å; V57-M93 CarbonylContact O-C 3.56Å; V57-M93 VanDerWaalsContact O-CA 3.23Å; V57-M93 WeakPolarHBondContact O-CA 3.46Å; V57-L94 HydrophobicContact CB-CB 4.02Å; V57-L94 HydrophobicContact CB-CD1 4.3Å; V57-L94 HydrophobicContact CB-CG 4.23Å; V57-L94 HydrophobicContact CG2-CB 4.31Å; V57-L94 HydrophobicContact CG2-CD1 4.01Å; V57-L94 HydrophobicContact CG2-CG 4.45Å; V57-L94 PolarHBondContact N-O 2.93Å; V57-L94 VanDerWaalsContact N-O 3.12Å; V57-L94 PolarHBondContact O-N 2.86Å; V57-V133 HydrophobicContact CG2-CG1 4.36Å |
| 58 | D | 84.9 | Confident | 84.8 | Confident | 112 Ų | 112 | 55.4 Ų | 55.4 | 60% | 0.599 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -75.6 | -27.2 | 179.6 | -168.5 | 33.6 | 0 | 0 | 0 | 112.5 | I55 M93 | I55-D58 HydrophobicContact CG2-CB 3.98Å; D58-M93 WeakPolarHBondContact O-CG 3.4Å; D58-M93 WeakPolarHBondContact OD1-CE 3.47Å |
| 59 | N | 85.8 | Confident | 84.2 | Confident | 74 Ų | 74 | 61.7 Ų | 61.7 | 40% | 0.396 | 36% | 0.357 | S | S | . | . | trans | -161.7 | 120.9 | 171.4 | -167.9 | -26.3 | 0 | 0 | 0 | 110.1 | L61 | N59-L61 HydrophobicContact CB-CD2 4.42Å; N59-L61 HydrophobicContact CB-CG 4.48Å; N59-L61 PolarHBondContact O-N 3.47Å; N59-L61 WeakPolarHBondContact OD1-CA 3.24Å; N59-L61 PolarHBondContact OD1-N 3.04Å | ||
| 60 | M | 83.9 | Confident | 83.9 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | trans | -71 | -14.2 | 176.5 | -70.2 | -177.5 | -75.1 | 0 | 0 | 113.7 | L34 V57 I62 L75 L87 Q92 L94 V118 | L34-M60 WeakPolarHBondContact CD2-O 3.38Å; V57-M60 HydrophobicContact CB-CG 4.49Å; V57-M60 HydrophobicContact CG1-CG 3.78Å; M60-I62 VanDerWaalsContact C-N 3.3Å; M60-I62 HydrophobicContact CB-CD1 4.01Å; M60-I62 HydrophobicContact CB-CG1 3.94Å; M60-I62 HydrophobicContact CE-CD1 4.16Å; M60-I62 PolarHBondContact O-N 2.87Å; M60-I62 HydrophobicContact SD-CD1 4.2Å; M60-L75 HydrophobicContact CE-CD1 4.23Å; M60-L87 HydrophobicContact CE-CD1 3.46Å; M60-L87 VanDerWaalsContact CE-CD1 3.46Å; M60-Q92 HydrophobicContact CB-CB 4.3Å; M60-Q92 HydrophobicContact CE-CB 4.03Å; M60-Q92 PolarHBondContact N-O 2.95Å; M60-L94 HydrophobicContact CE-CD2 4.35Å; M60-L94 HydrophobicContact CE-CG 4.48Å; M60-L94 HydrophobicContact SD-CD1 4.06Å; M60-L94 HydrophobicContact SD-CD2 4.42Å; M60-L94 HydrophobicContact SD-CG 4.16Å; M60-V118 HydrophobicContact CE-CG1 3.9Å; M60-V118 HydrophobicContact CE-CG2 4.26Å; M60-V118 HydrophobicContact SD-CB 4.06Å; M60-V118 HydrophobicContact SD-CG1 4Å; M60-V118 HydrophobicContact SD-CG2 3.66Å | ||
| 61 | L | 85.8 | Confident | 83.5 | Confident | 75 Ų | 75 | 64.6 Ų | 64.6 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | trans | 58 | 39.7 | 179.7 | -60.6 | 168.9 | 0 | 0 | 0 | 112.5 | L34 A35 R36 N59 | L34-L61 CarbonylContact C-O 3.59Å; A35-L61 HydrophobicContact CB-CB 4.37Å; A35-L61 WeakPolarHBondContact CB-O 3.32Å; A35-L61 PolarHBondContact N-O 2.89Å; R36-L61 HydrophobicContact CB-CD1 4.34Å; N59-L61 HydrophobicContact CB-CD2 4.42Å; N59-L61 HydrophobicContact CB-CG 4.48Å; N59-L61 PolarHBondContact O-N 3.47Å; N59-L61 WeakPolarHBondContact OD1-CA 3.24Å; N59-L61 PolarHBondContact OD1-N 3.04Å | ||
| 62 | I | 85.9 | Confident | 83.4 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.036 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -79.5 | 128 | 173.3 | -58.4 | 171.1 | 0 | 0 | 0 | 108.3 | L34 M60 G64 I73 L75 Q92 V118 C120 | L34-I62 HydrophobicContact CD2-CG1 4.05Å; M60-I62 VanDerWaalsContact C-N 3.3Å; M60-I62 HydrophobicContact CB-CD1 4.01Å; M60-I62 HydrophobicContact CB-CG1 3.94Å; M60-I62 HydrophobicContact CE-CD1 4.16Å; M60-I62 PolarHBondContact O-N 2.87Å; M60-I62 HydrophobicContact SD-CD1 4.2Å; I62-G64 PolarHBondContact O-N 2.8Å; I62-I73 HydrophobicContact CG2-CD1 4.07Å; I62-L75 HydrophobicContact CD1-CD1 4.21Å; I62-L75 HydrophobicContact CD1-CD2 3.66Å; I62-L75 HydrophobicContact CG2-CD2 4.47Å; I62-Q92 PolarHBondContact O-NE2 3.42Å; I62-Q92 PolarHBondContact O-OE1 3.15Å; I62-V118 HydrophobicContact CD1-CG1 4.28Å; I62-C120 HydrophobicContact CG2-CB 4.48Å |
| 63 | K | 82.3 | Confident | 83.4 | Confident | 78 Ų | 78 | 51.3 Ų | 51.3 | 34% | 0.339 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -65.1 | 132.1 | 176.2 | -67.6 | -176.7 | -174.8 | -174.9 | 0 | 110.6 | D30 D31 C32 K33 A35 | D30-K63 HydrophobicContact CB-CD 4.2Å; D30-K63 IonicContact OD2-NZ 3.74Å; D30-K63 PolarHBondContact OD2-NZ 2.86Å; D31-K63 WeakPolarHBondContact CA-O 3.35Å; C32-K63 PolarHBondContact N-O 2.81Å; K33-K63 WeakPolarHBondContact O-CB 3.34Å; K33-K63 WeakPolarHBondContact O-CG 3.45Å; K33-K63 PolarHBondContact O-N 3.45Å; A35-K63 HydrophobicContact CB-CG 4.02Å |
| 64 | G | 82.9 | Confident | 83.5 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 24% | 0.237 | 33% | 0.325 | C | S | . | . | S | Bend | trans | 119.3 | 162.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D31 I62 T72 | D31-G64 WeakPolarHBondContact OD1-CA 3.41Å; D31-G64 PolarHBondContact OD1-N 2.82Å; I62-G64 PolarHBondContact O-N 2.8Å; G64-T72 WeakPolarHBondContact CA-OG1 3.46Å |
| 65 | T | 81.6 | Confident | 83.6 | Confident | 79 Ų | 79 | 52.6 Ų | 52.6 | 49% | 0.485 | 31% | 0.314 | S | S | . | . | trans | -110.6 | 114.6 | 179.2 | 49.2 | 0 | 0 | 0 | 0 | 110.1 | P71 T72 I73 | T65-P71 CarbonylContact O-C 3.24Å; T65-P71 VanDerWaalsContact O-CA 3.23Å; T65-P71 WeakPolarHBondContact O-CA 3.4Å; T65-T72 PolarHBondContact N-OG1 2.94Å; T65-T72 PolarHBondContact O-N 2.83Å; T65-I73 PolarHBondContact O-N 3Å | ||
| 66 | A | 82.3 | Confident | 83.6 | Confident | 23 Ų | 23 | 50 Ų | 50 | 19% | 0.19 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -84.2 | -21.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P71 I73 P89 | A66-P71 WeakPolarHBondContact O-CB 3.24Å; A66-I73 WeakPolarHBondContact CA-O 3.16Å; A66-I73 HydrophobicContact CB-CD1 4.45Å; A66-I73 HydrophobicContact CB-CG1 4.03Å; A66-P89 WeakPolarHBondContact CB-O 3.48Å |
| 67 | G | 77 | Confident | 83.7 | Confident | 26 Ų | 26 | 51.4 Ų | 51.4 | 27% | 0.268 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -113.3 | 167.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 68 | G | 75.9 | Confident | 83.8 | Confident | 58 Ų | 58 | 55.3 Ų | 55.3 | 60% | 0.598 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 103.5 | 177.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | D70 | G68-D70 VanDerWaalsContact C-N 3.28Å; G68-D70 PolarHBondContact O-N 3.5Å |
| 69 | P | 77.6 | Confident | 84 | Confident | 131 Ų | 131 | 54.7 Ų | 54.7 | 85% | 0.851 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -66.4 | -26.7 | -177.2 | 24.2 | -31.7 | 0 | 0 | 0 | 113.6 | ||
| 70 | D | 78.6 | Confident | 84.1 | Confident | 137 Ų | 137 | 52.3 Ų | 52.3 | 73% | 0.733 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -127.4 | 77.1 | 179.5 | -70.9 | -44.5 | 0 | 0 | 0 | 111.5 | G68 T72 | G68-D70 VanDerWaalsContact C-N 3.28Å; G68-D70 PolarHBondContact O-N 3.5Å; D70-T72 PolarHBondContact O-N 2.78Å |
| 71 | P | 81.5 | Confident | 83.8 | Confident | 41 Ų | 41 | 58 Ų | 58 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | trans | -69.2 | 131.2 | 179.7 | 28 | -33.2 | 0 | 0 | 0 | 111.4 | T65 A66 K123 | T65-P71 CarbonylContact O-C 3.24Å; T65-P71 VanDerWaalsContact O-CA 3.23Å; T65-P71 WeakPolarHBondContact O-CA 3.4Å; A66-P71 WeakPolarHBondContact O-CB 3.24Å; P71-K123 HydrophobicContact CG-CD 4.33Å | ||
| 72 | T | 83.4 | Confident | 83.6 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 8% | 0.08 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -92 | -25.5 | 178.9 | 71.3 | 0 | 0 | 0 | 0 | 112.9 | Y28 D31 G64 T65 D70 K123 | Y28-T72 HydrophobicContact CE1-CG2 4.34Å; D31-T72 WeakPolarHBondContact OD2-CB 3.36Å; D31-T72 PolarHBondContact OD2-OG1 3.41Å; G64-T72 WeakPolarHBondContact CA-OG1 3.46Å; T65-T72 PolarHBondContact N-OG1 2.94Å; T65-T72 PolarHBondContact O-N 2.83Å; D70-T72 PolarHBondContact O-N 2.78Å; T72-K123 PolarHBondContact O-N 2.92Å |
| 73 | I | 86.3 | Confident | 83.7 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 158.1 | 178.1 | 61 | 170 | 0 | 0 | 0 | 111 | D31 I62 T65 A66 L75 V121 | D31-I73 HydrophobicContact CB-CG2 3.77Å; I62-I73 HydrophobicContact CG2-CD1 4.07Å; T65-I73 PolarHBondContact O-N 3Å; A66-I73 WeakPolarHBondContact CA-O 3.16Å; A66-I73 HydrophobicContact CB-CD1 4.45Å; A66-I73 HydrophobicContact CB-CG1 4.03Å; I73-L75 HydrophobicContact CD1-CD1 4.48Å; I73-L75 HydrophobicContact CD1-CD2 4.33Å; I73-L75 HydrophobicContact CD1-CG 4.31Å; I73-V121 CarbonylContact C-O 3.49Å; I73-V121 VanDerWaalsContact CA-O 3.31Å; I73-V121 WeakPolarHBondContact CA-O 3.34Å |
| 74 | E | 86.8 | Confident | 83.9 | Confident | 100 Ų | 100 | 62.8 Ų | 62.8 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.7 | 170.8 | -167.3 | 169.2 | 163.4 | 0 | 0 | 108.8 | C120 V121 K123 | E74-C120 CarbonylContact O-C 3.43Å; E74-C120 WeakPolarHBondContact O-CA 3.38Å; E74-V121 HydrophobicContact CB-CB 4.28Å; E74-V121 PolarHBondContact N-O 3.17Å; E74-V121 PolarHBondContact O-N 3.31Å; E74-K123 HydrophobicContact CB-CG 4.43Å; E74-K123 WeakPolarHBondContact OE2-CE 3.44Å; E74-K123 IonicContact OE2-NZ 2.88Å; E74-K123 PolarHBondContact OE2-NZ 3.41Å |
| 75 | L | 90 | Very high | 84.3 | Confident | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.063 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132 | 179.5 | -61.9 | 177.7 | 0 | 0 | 0 | 109.9 | M60 I62 I73 L87 P89 Q92 V118 Q119 C120 | M60-L75 HydrophobicContact CE-CD1 4.23Å; I62-L75 HydrophobicContact CD1-CD1 4.21Å; I62-L75 HydrophobicContact CD1-CD2 3.66Å; I62-L75 HydrophobicContact CG2-CD2 4.47Å; I73-L75 HydrophobicContact CD1-CD1 4.48Å; I73-L75 HydrophobicContact CD1-CD2 4.33Å; I73-L75 HydrophobicContact CD1-CG 4.31Å; L75-L87 HydrophobicContact CB-CD2 3.9Å; L75-P89 HydrophobicContact CB-CB 4.03Å; L75-Q92 HydrophobicContact CD1-CB 4.27Å; L75-Q92 HydrophobicContact CD1-CG 3.72Å; L75-V118 HydrophobicContact CB-CG1 4.44Å; L75-V118 HydrophobicContact CD2-CG1 4.1Å; L75-Q119 WeakPolarHBondContact CA-O 3.49Å; L75-C120 HydrophobicContact CD2-CB 3.52Å; L75-C120 VanDerWaalsContact CD2-SG 3.6Å |
| 76 | S | 89.3 | Confident | 84.6 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 26% | 0.259 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 151.8 | 173.5 | 65.2 | 0 | 0 | 0 | 0 | 111 | Q119 | S76-Q119 PolarHBondContact N-O 2.93Å; S76-Q119 PolarHBondContact O-N 2.93Å; S76-Q119 PolarHBondContact OG-OE1 3.41Å |
| 77 | L | 90.5 | Very high | 85.1 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 20% | 0.204 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 140.3 | 172.6 | -107 | 96 | 0 | 0 | 0 | 111.9 | N80 V85 L87 L94 V116 V118 | L77-N80 HydrophobicContact CD2-CB 3.89Å; L77-V85 HydrophobicContact CD1-CG1 4.46Å; L77-V85 HydrophobicContact CD2-CB 3.66Å; L77-V85 HydrophobicContact CD2-CG1 3.75Å; L77-L87 HydrophobicContact CD1-CB 3.09Å; L77-L87 HydrophobicContact CD1-CD2 3.75Å; L77-L87 HydrophobicContact CD1-CG 3.96Å; L77-L94 HydrophobicContact CD1-CD2 3.88Å; L77-V116 HydrophobicContact CD2-CB 3.87Å; L77-V116 HydrophobicContact CD2-CG1 3.98Å; L77-V116 HydrophobicContact CD2-CG2 4.05Å; L77-V118 HydrophobicContact CD1-CG2 4.37Å; L77-V118 HydrophobicContact CG-CG2 4.49Å |
| 78 | K | 88.6 | Confident | 85.7 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 40% | 0.404 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 159.7 | 170.5 | -62 | -61.5 | 178.3 | -172 | 0 | 109.5 | N80 Q117 Q119 Y130 | K78-N80 PolarHBondContact O-N 3.48Å; K78-N80 VanDerWaalsContact O-N 3.11Å; K78-Q117 WeakPolarHBondContact CA-O 3.31Å; K78-Q117 HydrophobicContact CB-CB 4.15Å; K78-Q117 PolarHBondContact N-O 3.08Å; K78-Q117 PolarHBondContact O-N 3.14Å; K78-Q119 HydrophobicContact CG-CB 3.99Å; K78-Y130 HydrophobicContact CG-CE1 4.44Å |
| 79 | D | 87.7 | Confident | 86.3 | Confident | 99 Ų | 99 | 63.2 Ų | 63.2 | 53% | 0.529 | 34% | 0.337 | S | S | . | . | trans | 57.1 | 22.8 | 179 | -52.9 | -22.2 | 0 | 0 | 0 | 115.3 | V81 | D79-V81 VanDerWaalsContact C-N 3.26Å; D79-V81 PolarHBondContact O-N 3.16Å | ||
| 80 | N | 88.2 | Confident | 86.7 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 13% | 0.134 | 33% | 0.325 | C | S | . | . | trans | -85.9 | 64.7 | 177.2 | -165.6 | 16.7 | 0 | 0 | 0 | 110.8 | L77 K78 D82 Y83 W84 V85 V116 | L77-N80 HydrophobicContact CD2-CB 3.89Å; K78-N80 PolarHBondContact O-N 3.48Å; K78-N80 VanDerWaalsContact O-N 3.11Å; N80-D82 PolarHBondContact O-N 3.18Å; N80-Y83 WeakPolarHBondContact ND2-CA 3.39Å; N80-Y83 PolarHBondContact O-N 3.03Å; N80-Y83 WeakPolarHBondContact OD1-CA 3.48Å; N80-W84 PolarHBondContact OD1-N 3.13Å; N80-V85 PolarHBondContact ND2-O 3.41Å; N80-V85 PolarHBondContact OD1-N 2.89Å; N80-V116 HydrophobicContact CB-CG1 4.02Å | ||
| 81 | V | 78.1 | Confident | 87.1 | Confident | 122 Ų | 122 | 61.1 Ų | 61.1 | 74% | 0.739 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -24.5 | -164.4 | -178.2 | 0 | 0 | 0 | 0 | 113.8 | D79 | D79-V81 VanDerWaalsContact C-N 3.26Å; D79-V81 PolarHBondContact O-N 3.16Å |
| 82 | D | 81.5 | Confident | 87.4 | Confident | 83 Ų | 83 | 59.9 Ų | 59.9 | 44% | 0.444 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 14.7 | 177.7 | -71.2 | -54.6 | 0 | 0 | 0 | 113.7 | N80 W84 R101 | N80-D82 PolarHBondContact O-N 3.18Å; D82-W84 HydrophobicContact CB-CG 4.43Å; D82-W84 PolarHBondContact O-N 2.95Å; D82-R101 PolarHBondContact O-NH1 2.9Å; D82-R101 PolarHBondContact O-NH2 2.84Å |
| 83 | Y | 87.3 | Confident | 87.8 | Confident | 165 Ų | 165 | 60 Ų | 60 | 65% | 0.647 | 31% | 0.307 | S | S | * | . | trans | 57.7 | 30 | -178.9 | -54.7 | -85.4 | 0 | 0 | 0 | 115 | N80 V85 N97 | N80-Y83 WeakPolarHBondContact ND2-CA 3.39Å; N80-Y83 PolarHBondContact O-N 3.03Å; N80-Y83 WeakPolarHBondContact OD1-CA 3.48Å; Y83-V85 PolarHBondContact O-N 2.95Å; Y83-N97 WeakPolarHBondContact O-CB 3.42Å; Y83-N97 PolarHBondContact O-ND2 2.92Å | ||
| 84 | W | 87.1 | Confident | 88 | Confident | 12 Ų | 12 | 60 Ų | 60 | 5% | 0.045 | 31% | 0.306 | C | S | . | . | trans | -65.7 | -20.3 | 178.5 | -74.5 | 116.7 | 0 | 0 | 0 | 113.9 | N80 D82 L96 N97 R101 V102 L103 I111 I114 | N80-W84 PolarHBondContact OD1-N 3.13Å; D82-W84 HydrophobicContact CB-CG 4.43Å; D82-W84 PolarHBondContact O-N 2.95Å; W84-L96 HydrophobicContact CE3-CD1 4.38Å; W84-N97 PolarHBondContact O-N 2.91Å; W84-R101 HydrophobicContact CH2-CB 3.82Å; W84-R101 HydrophobicContact CZ3-CB 4.26Å; W84-V102 WeakPolarHBondContact CH2-O 3.33Å; W84-L103 HydrophobicContact CE3-CD1 4.44Å; W84-L103 HydrophobicContact CZ3-CB 4.13Å; W84-L103 HydrophobicContact CZ3-CD1 4.43Å; W84-I111 HydrophobicContact CH2-CD1 4.28Å; W84-I111 HydrophobicContact CZ2-CD1 3.51Å; W84-I114 HydrophobicContact CB-CD1 3.75Å; W84-I114 HydrophobicContact CB-CG1 4.44Å; W84-I114 HydrophobicContact CB-CG2 4.18Å; W84-I114 HydrophobicContact CD2-CD1 4.24Å; W84-I114 HydrophobicContact CG-CD1 3.74Å; W84-I114 HydrophobicContact CG-CG1 4.32Å | ||
| 85 | V | 90.1 | Very high | 88.2 | Confident | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.03 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 130 | -176.9 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | L56 L77 N80 Y83 L94 F95 I114 V116 I135 | L56-V85 HydrophobicContact CD1-CB 4.45Å; L56-V85 HydrophobicContact CD1-CG1 4.05Å; L56-V85 HydrophobicContact CD1-CG2 3.93Å; L77-V85 HydrophobicContact CD1-CG1 4.46Å; L77-V85 HydrophobicContact CD2-CB 3.66Å; L77-V85 HydrophobicContact CD2-CG1 3.75Å; N80-V85 PolarHBondContact ND2-O 3.41Å; N80-V85 PolarHBondContact OD1-N 2.89Å; Y83-V85 PolarHBondContact O-N 2.95Å; V85-L94 HydrophobicContact CG1-CB 3.98Å; V85-L94 HydrophobicContact CG1-CD1 4.33Å; V85-L94 HydrophobicContact CG1-CD2 3.81Å; V85-L94 HydrophobicContact CG1-CG 4.26Å; V85-F95 WeakPolarHBondContact CA-O 3.03Å; V85-I114 HydrophobicContact CG2-CG2 4.22Å; V85-V116 HydrophobicContact CB-CG1 4.26Å; V85-V116 HydrophobicContact CB-CG2 4.45Å; V85-V116 HydrophobicContact CG1-CG2 4.43Å; V85-V116 HydrophobicContact CG2-CG1 3.85Å; V85-V116 HydrophobicContact CG2-CG2 4.1Å; V85-I135 HydrophobicContact CG2-CD1 3.49Å; V85-I135 VanDerWaalsContact CG2-CD1 3.49Å |
| 86 | L | 89.8 | Confident | 88.2 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 45% | 0.45 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 137.6 | 167.1 | -78.7 | 162.8 | 0 | 0 | 0 | 109.6 | L94 F95 N97 | L86-L94 CarbonylContact O-C 3.57Å; L86-L94 WeakPolarHBondContact O-CA 3.49Å; L86-F95 HydrophobicContact CB-CB 4.34Å; L86-F95 PolarHBondContact N-O 3.08Å; L86-F95 PolarHBondContact O-N 2.96Å; L86-N97 HydrophobicContact CB-CB 4.47Å; L86-N97 HydrophobicContact CD1-CB 3.66Å; L86-N97 HydrophobicContact CG-CB 3.66Å |
| 87 | L | 91.3 | Very high | 88.1 | Confident | 35 Ų | 35 | 56.1 Ų | 56.1 | 18% | 0.183 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127.2 | 174 | 165.3 | 71.2 | 0 | 0 | 0 | 110.3 | M60 L75 L77 P89 M93 L94 | M60-L87 HydrophobicContact CE-CD1 3.46Å; M60-L87 VanDerWaalsContact CE-CD1 3.46Å; L75-L87 HydrophobicContact CB-CD2 3.9Å; L77-L87 HydrophobicContact CD1-CB 3.09Å; L77-L87 HydrophobicContact CD1-CD2 3.75Å; L77-L87 HydrophobicContact CD1-CG 3.96Å; L87-P89 HydrophobicContact CD2-CB 4.41Å; L87-P89 HydrophobicContact CG-CB 4.36Å; L87-P89 VanDerWaalsContact O-CD 3.24Å; L87-P89 WeakPolarHBondContact O-CD 3.43Å; L87-M93 WeakPolarHBondContact CA-O 3.18Å; L87-L94 HydrophobicContact CB-CD2 3.84Å; L87-L94 HydrophobicContact CD1-CD2 3.72Å; L87-L94 HydrophobicContact CG-CD2 4.38Å |
| 88 | D | 91 | Very high | 87.7 | Confident | 42 Ų | 42 | 54.9 Ų | 54.9 | 23% | 0.225 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 101.5 | 157.3 | 179.6 | -17 | 0 | 0 | 0 | 107.5 | V90 K91 Q92 M93 F95 | D88-V90 PolarHBondContact O-N 3.09Å; D88-V90 PolarHBondContact OD1-N 2.99Å; D88-K91 HydrophobicContact CB-CB 4.44Å; D88-K91 PolarHBondContact O-N 2.87Å; D88-K91 PolarHBondContact OD1-N 3.34Å; D88-K91 VanDerWaalsContact OD1-N 3.13Å; D88-K91 VanDerWaalsContact OD2-CD 3.31Å; D88-K91 WeakPolarHBondContact OD2-CD 3.06Å; D88-K91 WeakPolarHBondContact OD2-CG 3.41Å; D88-Q92 VanDerWaalsContact O-CA 3.31Å; D88-Q92 WeakPolarHBondContact O-CA 3.32Å; D88-Q92 PolarHBondContact O-N 3.34Å; D88-M93 HydrophobicContact CB-CB 4.25Å; D88-M93 PolarHBondContact N-O 2.8Å; D88-M93 PolarHBondContact O-N 3.43Å; D88-M93 VanDerWaalsContact O-N 3.14Å; D88-F95 HydrophobicContact CB-CE2 3.97Å |
| 89 | P | 87.2 | Confident | 87.2 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 33% | 0.325 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -27.8 | -175.7 | 25.6 | -32.9 | 0 | 0 | 0 | 112 | A66 L75 L87 | A66-P89 WeakPolarHBondContact CB-O 3.48Å; L75-P89 HydrophobicContact CB-CB 4.03Å; L87-P89 HydrophobicContact CD2-CB 4.41Å; L87-P89 HydrophobicContact CG-CB 4.36Å; L87-P89 VanDerWaalsContact O-CD 3.24Å; L87-P89 WeakPolarHBondContact O-CD 3.43Å |
| 90 | V | 86.4 | Confident | 86.8 | Confident | 96 Ų | 96 | 53.7 Ų | 53.7 | 58% | 0.582 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -44.1 | -177.9 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | D88 | D88-V90 PolarHBondContact O-N 3.09Å; D88-V90 PolarHBondContact OD1-N 2.99Å |
| 91 | K | 86.8 | Confident | 86.7 | Confident | 128 Ų | 128 | 57 Ų | 57 | 56% | 0.557 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -9 | 177.1 | -62.9 | -175.8 | -171.9 | 169 | 0 | 113.7 | D88 M93 | D88-K91 HydrophobicContact CB-CB 4.44Å; D88-K91 PolarHBondContact O-N 2.87Å; D88-K91 PolarHBondContact OD1-N 3.34Å; D88-K91 VanDerWaalsContact OD1-N 3.13Å; D88-K91 VanDerWaalsContact OD2-CD 3.31Å; D88-K91 WeakPolarHBondContact OD2-CD 3.06Å; D88-K91 WeakPolarHBondContact OD2-CG 3.41Å; K91-M93 HydrophobicContact CB-CB 4.25Å; K91-M93 HydrophobicContact CB-CG 3.77Å; K91-M93 HydrophobicContact CB-SD 3.91Å; K91-M93 HydrophobicContact CD-SD 3.71Å; K91-M93 HydrophobicContact CG-SD 4.49Å; K91-M93 PolarHBondContact O-N 3.3Å |
| 92 | Q | 88.2 | Confident | 86.9 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 36.3 | -170.7 | -47.1 | -172.4 | 2 | 0 | 0 | 112.5 | M60 I62 L75 D88 | M60-Q92 HydrophobicContact CB-CB 4.3Å; M60-Q92 HydrophobicContact CE-CB 4.03Å; M60-Q92 PolarHBondContact N-O 2.95Å; I62-Q92 PolarHBondContact O-NE2 3.42Å; I62-Q92 PolarHBondContact O-OE1 3.15Å; L75-Q92 HydrophobicContact CD1-CB 4.27Å; L75-Q92 HydrophobicContact CD1-CG 3.72Å; D88-Q92 VanDerWaalsContact O-CA 3.31Å; D88-Q92 WeakPolarHBondContact O-CA 3.32Å; D88-Q92 PolarHBondContact O-N 3.34Å |
| 93 | M | 91.1 | Very high | 87.2 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 7% | 0.074 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 141.3 | -178.8 | -77.4 | 178.9 | 78.1 | 0 | 0 | 111 | I55 V57 D58 L87 D88 K91 F95 | I55-M93 HydrophobicContact CD1-CE 3.87Å; I55-M93 HydrophobicContact CG1-CE 3.96Å; I55-M93 HydrophobicContact CG2-CE 3.94Å; V57-M93 CarbonylContact O-C 3.56Å; V57-M93 VanDerWaalsContact O-CA 3.23Å; V57-M93 WeakPolarHBondContact O-CA 3.46Å; D58-M93 WeakPolarHBondContact O-CG 3.4Å; D58-M93 WeakPolarHBondContact OD1-CE 3.47Å; L87-M93 WeakPolarHBondContact CA-O 3.18Å; D88-M93 HydrophobicContact CB-CB 4.25Å; D88-M93 PolarHBondContact N-O 2.8Å; D88-M93 PolarHBondContact O-N 3.43Å; D88-M93 VanDerWaalsContact O-N 3.14Å; K91-M93 HydrophobicContact CB-CB 4.25Å; K91-M93 HydrophobicContact CB-CG 3.77Å; K91-M93 HydrophobicContact CB-SD 3.91Å; K91-M93 HydrophobicContact CD-SD 3.71Å; K91-M93 HydrophobicContact CG-SD 4.49Å; K91-M93 PolarHBondContact O-N 3.3Å; M93-F95 HydrophobicContact CB-CD2 4.36Å; M93-F95 HydrophobicContact CB-CE2 3.61Å; M93-F95 HydrophobicContact CB-CZ 3.88Å; M93-F95 HydrophobicContact CE-CE1 3.46Å; M93-F95 VanDerWaalsContact CE-CE1 3.46Å; M93-F95 HydrophobicContact CE-CE2 4.18Å; M93-F95 HydrophobicContact CE-CZ 3.25Å; M93-F95 HydrophobicContact CG-CZ 4.42Å; M93-F95 HydrophobicContact SD-CE2 4.37Å; M93-F95 HydrophobicContact SD-CZ 3.74Å |
| 94 | L | 91.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 131.2 | 169.4 | -60.6 | -179.8 | 0 | 0 | 0 | 109.6 | L56 V57 M60 L77 V85 L86 L87 V118 V133 | L56-L94 HydrophobicContact CB-CB 4.05Å; L56-L94 WeakPolarHBondContact CB-O 3.26Å; L56-L94 HydrophobicContact CD1-CB 4.45Å; L56-L94 PolarHBondContact N-O 2.92Å; V57-L94 HydrophobicContact CB-CB 4.02Å; V57-L94 HydrophobicContact CB-CD1 4.3Å; V57-L94 HydrophobicContact CB-CG 4.23Å; V57-L94 HydrophobicContact CG2-CB 4.31Å; V57-L94 HydrophobicContact CG2-CD1 4.01Å; V57-L94 HydrophobicContact CG2-CG 4.45Å; V57-L94 PolarHBondContact N-O 2.93Å; V57-L94 VanDerWaalsContact N-O 3.12Å; V57-L94 PolarHBondContact O-N 2.86Å; M60-L94 HydrophobicContact CE-CD2 4.35Å; M60-L94 HydrophobicContact CE-CG 4.48Å; M60-L94 HydrophobicContact SD-CD1 4.06Å; M60-L94 HydrophobicContact SD-CD2 4.42Å; M60-L94 HydrophobicContact SD-CG 4.16Å; L77-L94 HydrophobicContact CD1-CD2 3.88Å; V85-L94 HydrophobicContact CG1-CB 3.98Å; V85-L94 HydrophobicContact CG1-CD1 4.33Å; V85-L94 HydrophobicContact CG1-CD2 3.81Å; V85-L94 HydrophobicContact CG1-CG 4.26Å; L86-L94 CarbonylContact O-C 3.57Å; L86-L94 WeakPolarHBondContact O-CA 3.49Å; L87-L94 HydrophobicContact CB-CD2 3.84Å; L87-L94 HydrophobicContact CD1-CD2 3.72Å; L87-L94 HydrophobicContact CG-CD2 4.38Å; L94-V118 HydrophobicContact CD1-CG2 4.41Å; L94-V118 HydrophobicContact CD2-CG2 4.32Å; L94-V133 HydrophobicContact CD1-CB 4.23Å; L94-V133 HydrophobicContact CD1-CG1 3.95Å; L94-V133 HydrophobicContact CD1-CG2 3.86Å |
| 95 | F | 90.6 | Very high | 87.3 | Confident | 48 Ų | 48 | 46.2 Ų | 46.2 | 21% | 0.211 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 145.7 | 176.5 | -57.5 | -89.3 | 0 | 0 | 0 | 110 | T54 I55 L56 V85 L86 D88 M93 | T54-F95 CarbonylContact O-C 3.17Å; T54-F95 WeakPolarHBondContact O-CA 3.15Å; I55-F95 HydrophobicContact CG1-CD1 3.97Å; I55-F95 HydrophobicContact CG1-CE1 3.77Å; L56-F95 VanDerWaalsContact CD1-C 3.49Å; V85-F95 WeakPolarHBondContact CA-O 3.03Å; L86-F95 HydrophobicContact CB-CB 4.34Å; L86-F95 PolarHBondContact N-O 3.08Å; L86-F95 PolarHBondContact O-N 2.96Å; D88-F95 HydrophobicContact CB-CE2 3.97Å; M93-F95 HydrophobicContact CB-CD2 4.36Å; M93-F95 HydrophobicContact CB-CE2 3.61Å; M93-F95 HydrophobicContact CB-CZ 3.88Å; M93-F95 HydrophobicContact CE-CE1 3.46Å; M93-F95 VanDerWaalsContact CE-CE1 3.46Å; M93-F95 HydrophobicContact CE-CE2 4.18Å; M93-F95 HydrophobicContact CE-CZ 3.25Å; M93-F95 HydrophobicContact CG-CZ 4.42Å; M93-F95 HydrophobicContact SD-CE2 4.37Å; M93-F95 HydrophobicContact SD-CZ 3.74Å |
| 96 | L | 90.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 131 | 168.6 | -178.9 | 68 | 0 | 0 | 0 | 109.2 | I46 S50 N52 G53 T54 L56 W84 S98 L103 | I46-L96 HydrophobicContact CD1-CB 4.24Å; I46-L96 HydrophobicContact CD1-CD2 3.8Å; I46-L96 HydrophobicContact CD1-CG 4.49Å; S50-L96 VanDerWaalsContact O-CD2 3.26Å; S50-L96 WeakPolarHBondContact O-CD2 3.49Å; N52-L96 PolarHBondContact OD1-O 2.9Å; G53-L96 WeakPolarHBondContact CA-O 3.34Å; G53-L96 PolarHBondContact N-O 3.18Å; T54-L96 PolarHBondContact O-N 2.81Å; L56-L96 HydrophobicContact CD1-CB 4.3Å; L56-L96 HydrophobicContact CD2-CB 4.27Å; L56-L96 HydrophobicContact CG-CB 4.2Å; W84-L96 HydrophobicContact CE3-CD1 4.38Å; L96-S98 WeakPolarHBondContact CD2-OG 3.49Å; L96-S98 WeakPolarHBondContact CG-OG 3.36Å; L96-L103 HydrophobicContact CD1-CD2 4.07Å; L96-L103 HydrophobicContact CD2-CD2 4.21Å |
| 97 | N | 88.2 | Confident | 86.8 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | trans | -114.2 | 88.4 | 177.6 | -175.4 | 30.1 | 0 | 0 | 0 | 110.8 | N52 Y83 W84 L86 T99 | N52-N97 WeakPolarHBondContact OD1-CA 3.43Å; Y83-N97 WeakPolarHBondContact O-CB 3.42Å; Y83-N97 PolarHBondContact O-ND2 2.92Å; W84-N97 PolarHBondContact O-N 2.91Å; L86-N97 HydrophobicContact CB-CB 4.47Å; L86-N97 HydrophobicContact CD1-CB 3.66Å; L86-N97 HydrophobicContact CG-CB 3.66Å; N97-T99 PolarHBondContact OD1-OG1 2.93Å | ||
| 98 | S | 80.8 | Confident | 86.2 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | trans | -107.2 | 34.7 | -179.6 | -66.8 | 0 | 0 | 0 | 0 | 111 | N52 L96 G100 R101 | N52-S98 PolarHBondContact OD1-N 2.8Å; L96-S98 WeakPolarHBondContact CD2-OG 3.49Å; L96-S98 WeakPolarHBondContact CG-OG 3.36Å; S98-G100 PolarHBondContact O-N 2.86Å; S98-R101 CarbonylContact C-O 3.58Å; S98-R101 VanDerWaalsContact CB-O 3.26Å; S98-R101 WeakPolarHBondContact CB-O 3.4Å; S98-R101 PolarHBondContact O-N 3.31Å | ||
| 99 | T | 79.5 | Confident | 85.8 | Confident | 81 Ų | 81 | 52.8 Ų | 52.8 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 109 | 177.5 | 46.5 | 0 | 0 | 0 | 0 | 110.9 | N52 N97 R101 | N52-T99 WeakPolarHBondContact ND2-CG2 2.99Å; N97-T99 PolarHBondContact OD1-OG1 2.93Å; T99-R101 VanDerWaalsContact C-N 3.26Å; T99-R101 PolarHBondContact O-N 2.9Å |
| 100 | G | 78.8 | Confident | 85.6 | Confident | 86 Ų | 86 | 54.2 Ų | 54.2 | 89% | 0.887 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S98 | S98-G100 PolarHBondContact O-N 2.86Š|
| 101 | R | 84.6 | Confident | 85.6 | Confident | 94 Ų | 94 | 50.9 Ų | 50.9 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -137.6 | 142.5 | 178.1 | -68 | 176.9 | -71.3 | 171.6 | 4.4 | 108.7 | D82 W84 S98 T99 | D82-R101 PolarHBondContact O-NH1 2.9Å; D82-R101 PolarHBondContact O-NH2 2.84Å; W84-R101 HydrophobicContact CH2-CB 3.82Å; W84-R101 HydrophobicContact CZ3-CB 4.26Å; S98-R101 CarbonylContact C-O 3.58Å; S98-R101 VanDerWaalsContact CB-O 3.26Å; S98-R101 WeakPolarHBondContact CB-O 3.4Å; S98-R101 PolarHBondContact O-N 3.31Å; T99-R101 VanDerWaalsContact C-N 3.26Å; T99-R101 PolarHBondContact O-N 2.9Å |
| 102 | V | 83.3 | Confident | 85.5 | Confident | 82 Ų | 82 | 49 Ų | 49 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | trans | -94.5 | 133.8 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | E49 W84 D104 | E49-V102 HydrophobicContact CB-CG1 4.2Å; E49-V102 HydrophobicContact CG-CG1 3.87Å; W84-V102 WeakPolarHBondContact CH2-O 3.33Å; V102-D104 PolarHBondContact O-N 2.86Å | ||
| 103 | L | 87.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -74.5 | 103.8 | 170.5 | 176.5 | 65.1 | 0 | 0 | 0 | 106 | I46 E48 E49 W84 L96 I111 I114 V137 | I46-L103 HydrophobicContact CG2-CD2 3.92Å; E48-L103 CarbonylContact C-O 3.56Å; E48-L103 WeakPolarHBondContact CA-O 3.46Å; E48-L103 WeakPolarHBondContact CB-O 3.33Å; E49-L103 PolarHBondContact N-O 2.58Å; W84-L103 HydrophobicContact CE3-CD1 4.44Å; W84-L103 HydrophobicContact CZ3-CB 4.13Å; W84-L103 HydrophobicContact CZ3-CD1 4.43Å; L96-L103 HydrophobicContact CD1-CD2 4.07Å; L96-L103 HydrophobicContact CD2-CD2 4.21Å; L103-I111 HydrophobicContact CD1-CB 4.34Å; L103-I111 HydrophobicContact CD1-CD1 4.34Å; L103-I111 HydrophobicContact CD1-CG2 3.9Å; L103-I114 HydrophobicContact CD1-CD1 3.63Å; L103-V137 HydrophobicContact CD1-CG2 4.04Å; L103-V137 HydrophobicContact CD2-CG1 4.12Å; L103-V137 HydrophobicContact CD2-CG2 4.05Å; L103-V137 HydrophobicContact CG-CG1 4.15Å; L103-V137 HydrophobicContact CG-CG2 4.26Å | ||
| 104 | D | 88.3 | Confident | 85.3 | Confident | 40 Ų | 40 | 51.5 Ų | 51.5 | 21% | 0.214 | 30% | 0.302 | C | S | . | . | trans | -123.6 | 120.4 | -170.4 | 179.2 | 3.7 | 0 | 0 | 0 | 108 | V102 D106 M109 I111 | V102-D104 PolarHBondContact O-N 2.86Å; D104-D106 VanDerWaalsContact C-N 3.34Å; D104-D106 PolarHBondContact OD1-N 2.84Å; D104-M109 HydrophobicContact CB-CB 4.1Å; D104-M109 HydrophobicContact CB-CG 4.31Å; D104-I111 WeakPolarHBondContact O-CB 3.44Å; D104-I111 WeakPolarHBondContact O-CG1 3.36Å; D104-I111 PolarHBondContact O-N 2.82Å | ||
| 105 | R | 88.4 | Confident | 85.2 | Confident | 34 Ų | 34 | 54.4 Ų | 54.4 | 13% | 0.128 | 32% | 0.319 | C | S | . | . | trans | -83.1 | -19.6 | -177.9 | -170.7 | 171.8 | 178.9 | -92.3 | -2.8 | 110.8 | E48 N110 V137 D139 D181 | E48-R105 HydrophobicContact CB-CB 4.23Å; E48-R105 WeakPolarHBondContact OE2-CA 3.22Å; E48-R105 WeakPolarHBondContact OE2-CB 3.24Å; E48-R105 PolarHBondContact OE2-N 2.81Å; R105-N110 CarbonylContact O-C 3.49Å; R105-N110 VanDerWaalsContact O-CA 3.27Å; R105-N110 WeakPolarHBondContact O-CA 3.37Å; R105-N110 PolarHBondContact O-OD1 3.23Å; R105-V137 HydrophobicContact CB-CG1 4.05Å; R105-V137 VanDerWaalsContact CD-O 3.29Å; R105-V137 WeakPolarHBondContact CD-O 3.16Å; R105-V137 HydrophobicContact CG-CG1 4.47Å; R105-V137 PolarHBondContact NE-O 3.04Å; R105-V137 VanDerWaalsContact NE-O 3.08Å; R105-D139 IonicContact NH1-OD1 2.69Å; R105-D139 PolarHBondContact NH1-OD1 2.73Å; R105-D181 IonicContact CZ-OD2 2.84Å; R105-D181 IonicContact NH1-OD2 2.77Å; R105-D181 PolarHBondContact NH1-OD2 2.86Å; R105-D181 VanDerWaalsContact NH1-OD2 3.15Å; R105-D181 IonicContact NH2-OD2 2.8Å; R105-D181 PolarHBondContact NH2-OD2 2.76Å | ||
| 106 | D | 88.5 | Confident | 85.2 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -87.7 | 158.1 | -171.8 | -59.9 | -37.6 | 0 | 0 | 0 | 112.8 | D104 M109 N110 N143 I179 | D104-D106 VanDerWaalsContact C-N 3.34Å; D104-D106 PolarHBondContact OD1-N 2.84Å; D106-M109 PolarHBondContact O-N 3.39Å; D106-N110 PolarHBondContact O-N 3.33Å; D106-N143 PolarHBondContact OD2-ND2 2.88Å; D106-I179 HydrophobicContact CB-CD1 4.04Å; D106-I179 HydrophobicContact CB-CG1 4.32Å |
| 107 | P | 81.5 | Confident | 85.2 | Confident | 71 Ų | 71 | 54.6 Ų | 54.6 | 46% | 0.461 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 137.3 | 172.7 | -21.2 | 33.2 | 0 | 0 | 0 | 111.2 | ||
| 108 | P | 78.6 | Confident | 85.2 | Confident | 128 Ų | 128 | 53.6 Ų | 53.6 | 83% | 0.831 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -93.5 | -7.9 | 15.7 | 35 | -35.5 | 0 | 0 | 0 | 115 | ||
| 109 | M | 81.8 | Confident | 85.7 | Confident | 102 Ų | 102 | 54.4 Ų | 54.4 | 50% | 0.502 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -39.8 | -175.6 | -69.8 | -62.6 | -62.9 | 0 | 0 | 112 | D104 D106 I111 | D104-M109 HydrophobicContact CB-CB 4.1Å; D104-M109 HydrophobicContact CB-CG 4.31Å; D106-M109 PolarHBondContact O-N 3.39Å; M109-I111 HydrophobicContact CB-CG1 4.34Å; M109-I111 HydrophobicContact CE-CD1 4.03Å; M109-I111 WeakPolarHBondContact O-CG1 3.46Å; M109-I111 PolarHBondContact O-N 2.84Å |
| 110 | N | 83.7 | Confident | 86.2 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 43% | 0.433 | 29% | 0.294 | S | S | . | . | trans | 53 | 42.7 | 168.9 | -152.1 | 21.1 | 0 | 0 | 0 | 115 | R105 D106 H112 | R105-N110 CarbonylContact O-C 3.49Å; R105-N110 VanDerWaalsContact O-CA 3.27Å; R105-N110 WeakPolarHBondContact O-CA 3.37Å; R105-N110 PolarHBondContact O-OD1 3.23Å; D106-N110 PolarHBondContact O-N 3.33Å; N110-H112 PolarHBondContact O-N 2.93Å; N110-H112 PolarHBondContact OD1-CE1 2.94Å; N110-H112 PolarHBondContact OD1-NE2 3.2Å | ||
| 111 | I | 86.4 | Confident | 86.6 | Confident | 26 Ų | 26 | 48.3 Ų | 48.3 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | trans | -89.5 | 81.9 | -174.3 | -49.8 | 176.3 | 0 | 0 | 0 | 110.7 | W84 L103 D104 M109 I114 V137 | W84-I111 HydrophobicContact CH2-CD1 4.28Å; W84-I111 HydrophobicContact CZ2-CD1 3.51Å; L103-I111 HydrophobicContact CD1-CB 4.34Å; L103-I111 HydrophobicContact CD1-CD1 4.34Å; L103-I111 HydrophobicContact CD1-CG2 3.9Å; D104-I111 WeakPolarHBondContact O-CB 3.44Å; D104-I111 WeakPolarHBondContact O-CG1 3.36Å; D104-I111 PolarHBondContact O-N 2.82Å; M109-I111 HydrophobicContact CB-CG1 4.34Å; M109-I111 HydrophobicContact CE-CD1 4.03Å; M109-I111 WeakPolarHBondContact O-CG1 3.46Å; M109-I111 PolarHBondContact O-N 2.84Å; I111-I114 HydrophobicContact CG2-CD1 4.37Å; I111-I114 HydrophobicContact CG2-CG1 3.98Å; I111-V137 WeakPolarHBondContact O-CB 3.34Å; I111-V137 VanDerWaalsContact O-CG2 3.28Å; I111-V137 WeakPolarHBondContact O-CG2 3.16Å | ||
| 112 | H | 84.9 | Confident | 86.7 | Confident | 87 Ų | 87 | 43.8 Ų | 43.8 | 40% | 0.403 | 25% | 0.246 | S | C | . | . | trans | -73.6 | -33.1 | 178.8 | -59.1 | -58.1 | 0 | 0 | 0 | 114.5 | N110 V137 | N110-H112 PolarHBondContact O-N 2.93Å; N110-H112 PolarHBondContact OD1-CE1 2.94Å; N110-H112 PolarHBondContact OD1-NE2 3.2Å; H112-V137 PolarHBondContact O-N 2.85Å | ||
| 113 | S | 87.7 | Confident | 86.7 | Confident | 71 Ų | 71 | 45.2 Ų | 45.2 | 50% | 0.497 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 141.8 | -178 | 69.8 | 0 | 0 | 0 | 0 | 112.8 | I135 | S113-I135 CarbonylContact C-O 3.59Å; S113-I135 WeakPolarHBondContact CA-O 3.48Å |
| 114 | I | 87.8 | Confident | 86.2 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 123.4 | 173.4 | -62 | 157.1 | 0 | 0 | 0 | 108.1 | W84 V85 L103 I111 V116 I135 | W84-I114 HydrophobicContact CB-CD1 3.75Å; W84-I114 HydrophobicContact CB-CG1 4.44Å; W84-I114 HydrophobicContact CB-CG2 4.18Å; W84-I114 HydrophobicContact CD2-CD1 4.24Å; W84-I114 HydrophobicContact CG-CD1 3.74Å; W84-I114 HydrophobicContact CG-CG1 4.32Å; V85-I114 HydrophobicContact CG2-CG2 4.22Å; L103-I114 HydrophobicContact CD1-CD1 3.63Å; I111-I114 HydrophobicContact CG2-CD1 4.37Å; I111-I114 HydrophobicContact CG2-CG1 3.98Å; I114-V116 HydrophobicContact CG2-CG1 4.1Å; I114-I135 HydrophobicContact CB-CB 4.2Å; I114-I135 HydrophobicContact CB-CD1 4.23Å; I114-I135 HydrophobicContact CG2-CD1 4.14Å; I114-I135 PolarHBondContact N-O 3.38Å; I114-I135 PolarHBondContact O-N 3.1Å |
| 115 | V | 88.9 | Confident | 85.8 | Confident | 60 Ų | 60 | 52.4 Ų | 52.4 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 121 | 177.1 | -173.3 | 0 | 0 | 0 | 0 | 108.7 | E132 V133 R134 | V115-E132 HydrophobicContact CG1-CG 3.76Å; V115-V133 WeakPolarHBondContact CA-O 3.16Å; V115-R134 HydrophobicContact CG1-CG 4.2Å; V115-R134 HydrophobicContact CG2-CG 4.06Å |
| 116 | V | 90.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 151.2 | 175.9 | -64 | 0 | 0 | 0 | 0 | 110.3 | L77 N80 V85 I114 V133 | L77-V116 HydrophobicContact CD2-CB 3.87Å; L77-V116 HydrophobicContact CD2-CG1 3.98Å; L77-V116 HydrophobicContact CD2-CG2 4.05Å; N80-V116 HydrophobicContact CB-CG1 4.02Å; V85-V116 HydrophobicContact CB-CG1 4.26Å; V85-V116 HydrophobicContact CB-CG2 4.45Å; V85-V116 HydrophobicContact CG1-CG2 4.43Å; V85-V116 HydrophobicContact CG2-CG1 3.85Å; V85-V116 HydrophobicContact CG2-CG2 4.1Å; I114-V116 HydrophobicContact CG2-CG1 4.1Å; V116-V133 HydrophobicContact CG2-CB 3.93Å; V116-V133 PolarHBondContact N-O 3.1Å; V116-V133 PolarHBondContact O-N 2.77Å |
| 117 | Q | 89.9 | Confident | 85.1 | Confident | 52 Ų | 52 | 55.7 Ų | 55.7 | 24% | 0.243 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.2 | 173.2 | -70.6 | -161.6 | -6.3 | 0 | 0 | 110.4 | K78 H131 | K78-Q117 WeakPolarHBondContact CA-O 3.31Å; K78-Q117 HydrophobicContact CB-CB 4.15Å; K78-Q117 PolarHBondContact N-O 3.08Å; K78-Q117 PolarHBondContact O-N 3.14Å; Q117-H131 CarbonylContact C-O 3.56Å; Q117-H131 WeakPolarHBondContact CA-O 3.44Å |
| 118 | V | 89.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 109 | 170.1 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | M60 I62 L75 L77 L94 H131 V133 | M60-V118 HydrophobicContact CE-CG1 3.9Å; M60-V118 HydrophobicContact CE-CG2 4.26Å; M60-V118 HydrophobicContact SD-CB 4.06Å; M60-V118 HydrophobicContact SD-CG1 4Å; M60-V118 HydrophobicContact SD-CG2 3.66Å; I62-V118 HydrophobicContact CD1-CG1 4.28Å; L75-V118 HydrophobicContact CB-CG1 4.44Å; L75-V118 HydrophobicContact CD2-CG1 4.1Å; L77-V118 HydrophobicContact CD1-CG2 4.37Å; L77-V118 HydrophobicContact CG-CG2 4.49Å; L94-V118 HydrophobicContact CD1-CG2 4.41Å; L94-V118 HydrophobicContact CD2-CG2 4.32Å; V118-H131 HydrophobicContact CB-CB 4.44Å; V118-H131 PolarHBondContact N-O 2.78Å; V118-H131 PolarHBondContact O-N 3.45Å; V118-V133 HydrophobicContact CG2-CG2 4.42Å |
| 119 | Q | 90.3 | Very high | 85.7 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 118.9 | 174.3 | -178 | -179.1 | 35.1 | 0 | 0 | 108.9 | L75 S76 K78 V121 V128 Y130 | L75-Q119 WeakPolarHBondContact CA-O 3.49Å; S76-Q119 PolarHBondContact N-O 2.93Å; S76-Q119 PolarHBondContact O-N 2.93Å; S76-Q119 PolarHBondContact OG-OE1 3.41Å; K78-Q119 HydrophobicContact CG-CB 3.99Å; Q119-V121 HydrophobicContact CG-CG2 4.26Å; Q119-V128 HydrophobicContact CG-CG1 3.54Å; Q119-Y130 HydrophobicContact CB-CD1 3.83Å; Q119-Y130 HydrophobicContact CB-CE1 3.71Å; Q119-Y130 HydrophobicContact CG-CD1 4.02Å; Q119-Y130 HydrophobicContact CG-CE1 3.53Å; Q119-Y130 PolarHBondContact NE2-OH 3.05Å |
| 120 | C | 89.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.8 | 170.4 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | C32 I62 E74 L75 V128 I129 | C32-C120 WeakPolarHBondContact CA-SG 3.2Å; C32-C120 HydrophobicContact CB-CB 3.6Å; C32-C120 WeakPolarHBondContact CB-SG 3.14Å; C32-C120 WeakPolarHBondContact SG-CB 3.32Å; C32-C120 PolarHBondContact SG-O 3.08Å; C32-C120 VanDerWaalsContact SG-O 3.41Å; C32-C120 CovalentContact SG-SG 2.04Å; C32-C120 PolarHBondContact SG-SG 3.47Å; I62-C120 HydrophobicContact CG2-CB 4.48Å; E74-C120 CarbonylContact O-C 3.43Å; E74-C120 WeakPolarHBondContact O-CA 3.38Å; L75-C120 HydrophobicContact CD2-CB 3.52Å; L75-C120 VanDerWaalsContact CD2-SG 3.6Å; C120-V128 CarbonylContact O-C 3.44Å; C120-V128 VanDerWaalsContact O-CA 3.3Å; C120-V128 WeakPolarHBondContact O-CA 3.29Å; C120-I129 PolarHBondContact N-O 3.01Å; C120-I129 PolarHBondContact O-N 2.54Å |
| 121 | V | 88.5 | Confident | 86 | Confident | 39 Ų | 39 | 49.2 Ų | 49.2 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120.6 | 173.6 | -175 | 0 | 0 | 0 | 0 | 108.6 | I73 E74 Q119 K123 V128 | I73-V121 CarbonylContact C-O 3.49Å; I73-V121 VanDerWaalsContact CA-O 3.31Å; I73-V121 WeakPolarHBondContact CA-O 3.34Å; E74-V121 HydrophobicContact CB-CB 4.28Å; E74-V121 PolarHBondContact N-O 3.17Å; E74-V121 PolarHBondContact O-N 3.31Å; Q119-V121 HydrophobicContact CG-CG2 4.26Å; V121-K123 PolarHBondContact O-N 3.26Å; V121-V128 HydrophobicContact CG1-CG2 4.25Å; V121-V128 HydrophobicContact CG2-CG1 4.36Å; V121-V128 HydrophobicContact CG2-CG2 4.03Å |
| 122 | N | 86.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 113.5 | 170.8 | -177.1 | -35.1 | 0 | 0 | 0 | 108.3 | Y28 D31 C32 K124 V125 G126 T127 | Y28-N122 PolarHBondContact O-ND2 2.87Å; D31-N122 WeakPolarHBondContact CB-ND2 3.39Å; C32-N122 PolarHBondContact SG-N 2.88Å; N122-K124 PolarHBondContact O-N 2.77Å; N122-K124 PolarHBondContact OD1-N 2.81Å; N122-V125 PolarHBondContact OD1-N 2.88Å; N122-G126 WeakPolarHBondContact O-CA 3.06Å; N122-G126 PolarHBondContact O-N 2.87Å; N122-T127 WeakPolarHBondContact CB-OG1 3.29Å; N122-T127 PolarHBondContact N-O 3.02Å |
| 123 | K | 82.2 | Confident | 86.3 | Confident | 112 Ų | 112 | 46.2 Ų | 46.2 | 49% | 0.487 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -18.8 | -176.8 | -73.1 | -161.5 | 170.7 | -166.4 | 0 | 113.8 | P71 T72 E74 V121 | P71-K123 HydrophobicContact CG-CD 4.33Å; T72-K123 PolarHBondContact O-N 2.92Å; E74-K123 HydrophobicContact CB-CG 4.43Å; E74-K123 WeakPolarHBondContact OE2-CE 3.44Å; E74-K123 IonicContact OE2-NZ 2.88Å; E74-K123 PolarHBondContact OE2-NZ 3.41Å; V121-K123 PolarHBondContact O-N 3.26Å |
| 124 | K | 77.5 | Confident | 86.4 | Confident | 115 Ų | 115 | 48.6 Ų | 48.6 | 50% | 0.5 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -42.8 | -177.8 | -64.7 | -171.6 | 177.1 | -173.9 | 0 | 112.6 | Y28 N122 | Y28-K124 HydrophobicContact CD1-CD 3.79Å; Y28-K124 HydrophobicContact CE1-CD 4.21Å; Y28-K124 HydrophobicContact CG-CD 4.09Å; Y28-K124 PolarHBondContact OH-NZ 2.78Å; N122-K124 PolarHBondContact O-N 2.77Å; N122-K124 PolarHBondContact OD1-N 2.81Å |
| 125 | V | 79.6 | Confident | 86.4 | Confident | 75 Ų | 75 | 48 Ų | 48 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -25.1 | -177.1 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | N122 T127 | N122-V125 PolarHBondContact OD1-N 2.88Å; V125-T127 VanDerWaalsContact C-N 3.29Å; V125-T127 HydrophobicContact CB-CG2 4.35Å; V125-T127 HydrophobicContact CG1-CG2 3.81Å |
| 126 | G | 78.1 | Confident | 86.4 | Confident | 50 Ų | 50 | 48.2 Ų | 48.2 | 52% | 0.515 | 25% | 0.247 | S | C | . | . | trans | 81.3 | 3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N122 | N122-G126 WeakPolarHBondContact O-CA 3.06Å; N122-G126 PolarHBondContact O-N 2.87Å | ||
| 127 | T | 83.9 | Confident | 86.4 | Confident | 58 Ų | 58 | 48.3 Ų | 48.3 | 36% | 0.356 | 25% | 0.247 | S | C | . | . | trans | -68.4 | 141.9 | 176.8 | 51.4 | 0 | 0 | 0 | 0 | 111.3 | N122 V125 | N122-T127 WeakPolarHBondContact CB-OG1 3.29Å; N122-T127 PolarHBondContact N-O 3.02Å; V125-T127 VanDerWaalsContact C-N 3.29Å; V125-T127 HydrophobicContact CB-CG2 4.35Å; V125-T127 HydrophobicContact CG1-CG2 3.81Å | ||
| 128 | V | 86 | Confident | 86.2 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 126.8 | 179.5 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | Q119 C120 V121 Y130 | Q119-V128 HydrophobicContact CG-CG1 3.54Å; C120-V128 CarbonylContact O-C 3.44Å; C120-V128 VanDerWaalsContact O-CA 3.3Å; C120-V128 WeakPolarHBondContact O-CA 3.29Å; V121-V128 HydrophobicContact CG1-CG2 4.25Å; V121-V128 HydrophobicContact CG2-CG1 4.36Å; V121-V128 HydrophobicContact CG2-CG2 4.03Å; V128-Y130 HydrophobicContact CG1-CE1 4.42Å; V128-Y130 HydrophobicContact CG1-CE2 3.93Å |
| 129 | I | 86 | Confident | 86.2 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 27% | 0.272 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.8 | 174.8 | -60.7 | 178.5 | 0 | 0 | 0 | 108.4 | C32 K33 C120 | C32-I129 HydrophobicContact CB-CB 4.18Å; C32-I129 HydrophobicContact CB-CD1 3.91Å; C32-I129 HydrophobicContact CB-CG1 4.2Å; K33-I129 HydrophobicContact CG-CD1 4.1Å; C120-I129 PolarHBondContact N-O 3.01Å; C120-I129 PolarHBondContact O-N 2.54Å |
| 130 | Y | 86.8 | Confident | 86.1 | Confident | 120 Ų | 120 | 57.4 Ų | 57.4 | 47% | 0.471 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.9 | 175.6 | -61.4 | -85.6 | 0 | 0 | 0 | 109.7 | K78 Q119 V128 | K78-Y130 HydrophobicContact CG-CE1 4.44Å; Q119-Y130 HydrophobicContact CB-CD1 3.83Å; Q119-Y130 HydrophobicContact CB-CE1 3.71Å; Q119-Y130 HydrophobicContact CG-CD1 4.02Å; Q119-Y130 HydrophobicContact CG-CE1 3.53Å; Q119-Y130 PolarHBondContact NE2-OH 3.05Å; V128-Y130 HydrophobicContact CG1-CE1 4.42Å; V128-Y130 HydrophobicContact CG1-CE2 3.93Å |
| 131 | H | 87 | Confident | 86.1 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 6% | 0.06 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 117.8 | 173.6 | -64.7 | -68.3 | 0 | 0 | 0 | 109.3 | C32 Q117 V118 | C32-H131 PolarHBondContact O-CE1 3.03Å; C32-H131 PolarHBondContact O-NE2 2.91Å; Q117-H131 CarbonylContact C-O 3.56Å; Q117-H131 WeakPolarHBondContact CA-O 3.44Å; V118-H131 HydrophobicContact CB-CB 4.44Å; V118-H131 PolarHBondContact N-O 2.78Å; V118-H131 PolarHBondContact O-N 3.45Å |
| 132 | E | 88.7 | Confident | 86 | Confident | 49 Ų | 49 | 58.1 Ų | 58.1 | 23% | 0.229 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 133.6 | 177.1 | -171 | 174.9 | 104.1 | 0 | 0 | 110.4 | A41 T42 V115 R134 | A41-E132 CarbonylContact C-O 3.58Å; A41-E132 VanDerWaalsContact CA-O 3.29Å; A41-E132 WeakPolarHBondContact CA-O 3.2Å; A41-E132 HydrophobicContact CB-CB 4.18Å; T42-E132 PolarHBondContact N-O 2.95Å; V115-E132 HydrophobicContact CG1-CG 3.76Å; E132-R134 HydrophobicContact CG-CG 4.34Å; E132-R134 IonicContact OE1-CZ 3.45Å; E132-R134 IonicContact OE1-NE 2.67Å; E132-R134 PolarHBondContact OE1-NE 3.46Å; E132-R134 IonicContact OE1-NH2 3.36Å; E132-R134 PolarHBondContact OE1-NH2 2.81Å |
| 133 | V | 88 | Confident | 86.1 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 117 | 172.7 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | T42 V57 L94 V115 V116 V118 I135 | T42-V133 CarbonylContact O-C 3.59Å; T42-V133 WeakPolarHBondContact O-CA 3.33Å; V57-V133 HydrophobicContact CG2-CG1 4.36Å; L94-V133 HydrophobicContact CD1-CB 4.23Å; L94-V133 HydrophobicContact CD1-CG1 3.95Å; L94-V133 HydrophobicContact CD1-CG2 3.86Å; V115-V133 WeakPolarHBondContact CA-O 3.16Å; V116-V133 HydrophobicContact CG2-CB 3.93Å; V116-V133 PolarHBondContact N-O 3.1Å; V116-V133 PolarHBondContact O-N 2.77Å; V118-V133 HydrophobicContact CG2-CG2 4.42Å; V133-I135 HydrophobicContact CG1-CG1 4.26Å |
| 134 | R | 88.9 | Confident | 86.4 | Confident | 122 Ų | 122 | 57 Ų | 57 | 46% | 0.46 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.7 | 174 | -62.4 | -168.2 | -177.8 | -172 | -2 | 109.1 | T42 I43 V44 V115 E132 | T42-R134 PolarHBondContact O-N 2.83Å; I43-R134 CarbonylContact C-O 3.59Å; I43-R134 VanDerWaalsContact CA-O 3.32Å; I43-R134 WeakPolarHBondContact CA-O 3.35Å; I43-R134 HydrophobicContact CG1-CB 4.45Å; V44-R134 PolarHBondContact N-O 3.01Å; V115-R134 HydrophobicContact CG1-CG 4.2Å; V115-R134 HydrophobicContact CG2-CG 4.06Å; E132-R134 HydrophobicContact CG-CG 4.34Å; E132-R134 IonicContact OE1-CZ 3.45Å; E132-R134 IonicContact OE1-NE 2.67Å; E132-R134 PolarHBondContact OE1-NE 3.46Å; E132-R134 IonicContact OE1-NH2 3.36Å; E132-R134 PolarHBondContact OE1-NH2 2.81Å |
| 135 | I | 89 | Confident | 87.1 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 109.9 | 175.6 | -58.3 | 152 | 0 | 0 | 0 | 106 | V44 I46 L56 V85 S113 I114 V133 | V44-I135 CarbonylContact O-C 3.58Å; V44-I135 VanDerWaalsContact O-CA 3.31Å; V44-I135 WeakPolarHBondContact O-CA 3.4Å; I46-I135 HydrophobicContact CB-CG2 4.36Å; I46-I135 HydrophobicContact CG2-CG2 3.45Å; I46-I135 VanDerWaalsContact CG2-CG2 3.45Å; L56-I135 HydrophobicContact CD1-CD1 3.68Å; L56-I135 HydrophobicContact CD1-CG1 4.48Å; L56-I135 HydrophobicContact CD2-CD1 4.24Å; L56-I135 HydrophobicContact CD2-CG1 4.31Å; L56-I135 HydrophobicContact CD2-CG2 3.93Å; L56-I135 HydrophobicContact CG-CD1 4.49Å; V85-I135 HydrophobicContact CG2-CD1 3.49Å; V85-I135 VanDerWaalsContact CG2-CD1 3.49Å; S113-I135 CarbonylContact C-O 3.59Å; S113-I135 WeakPolarHBondContact CA-O 3.48Å; I114-I135 HydrophobicContact CB-CB 4.2Å; I114-I135 HydrophobicContact CB-CD1 4.23Å; I114-I135 HydrophobicContact CG2-CD1 4.14Å; I114-I135 PolarHBondContact N-O 3.38Å; I114-I135 PolarHBondContact O-N 3.1Å; V133-I135 HydrophobicContact CG1-CG1 4.26Å |
| 136 | V | 88.6 | Confident | 87.6 | Confident | 65 Ų | 65 | 51.8 Ų | 51.8 | 39% | 0.394 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123.1 | 174.4 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | I43 V44 A45 I46 | I43-V136 HydrophobicContact CG2-CG2 4.05Å; V44-V136 PolarHBondContact O-N 2.94Å; A45-V136 CarbonylContact C-O 3.53Å; A45-V136 VanDerWaalsContact CA-O 3.29Å; A45-V136 WeakPolarHBondContact CA-O 3.38Å; I46-V136 PolarHBondContact N-O 3.4Å |
| 137 | V | 89.2 | Confident | 88.2 | Confident | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 123.6 | 175.2 | -169.3 | 0 | 0 | 0 | 0 | 107.4 | I46 E48 L103 R105 I111 H112 | I46-V137 CarbonylContact O-C 3.55Å; I46-V137 WeakPolarHBondContact O-CA 3.44Å; E48-V137 HydrophobicContact CB-CG1 3.72Å; L103-V137 HydrophobicContact CD1-CG2 4.04Å; L103-V137 HydrophobicContact CD2-CG1 4.12Å; L103-V137 HydrophobicContact CD2-CG2 4.05Å; L103-V137 HydrophobicContact CG-CG1 4.15Å; L103-V137 HydrophobicContact CG-CG2 4.26Å; R105-V137 HydrophobicContact CB-CG1 4.05Å; R105-V137 VanDerWaalsContact CD-O 3.29Å; R105-V137 WeakPolarHBondContact CD-O 3.16Å; R105-V137 HydrophobicContact CG-CG1 4.47Å; R105-V137 PolarHBondContact NE-O 3.04Å; R105-V137 VanDerWaalsContact NE-O 3.08Å; I111-V137 WeakPolarHBondContact O-CB 3.34Å; I111-V137 VanDerWaalsContact O-CG2 3.28Å; I111-V137 WeakPolarHBondContact O-CG2 3.16Å; H112-V137 PolarHBondContact O-N 2.85Å |
| 138 | R | 87.6 | Confident | 88.4 | Confident | 132 Ų | 132 | 53.9 Ų | 53.9 | 50% | 0.498 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 136 | 174.8 | -63.1 | -170.6 | -61.3 | -174 | 1.7 | 108.8 | A45 I46 D47 E48 | A45-R138 HydrophobicContact CB-CG 4.07Å; I46-R138 PolarHBondContact O-N 2.87Å; D47-R138 IonicContact OD1-CZ 3.38Å; D47-R138 IonicContact OD1-NE 2.84Å; D47-R138 PolarHBondContact OD1-NE 3.11Å; D47-R138 IonicContact OD1-NH2 3.31Å; D47-R138 PolarHBondContact OD1-NH2 3.42Å; D47-R138 IonicContact OD2-NH2 2.83Å; E48-R138 PolarHBondContact N-O 2.84Å |
| 139 | D | 88.6 | Confident | 88.5 | Confident | 30 Ų | 30 | 55.1 Ų | 55.1 | 16% | 0.16 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 140.1 | 171.7 | -160.4 | 83.1 | 0 | 0 | 0 | 112.5 | E48 R105 D181 N184 | E48-D139 WeakPolarHBondContact OE1-CA 3.18Å; R105-D139 IonicContact NH1-OD1 2.69Å; R105-D139 PolarHBondContact NH1-OD1 2.73Å; D139-D181 HydrophobicContact CB-CB 4.43Å; D139-D181 WeakPolarHBondContact OD1-CB 3.24Å; D139-D181 PolarHBondContact OD1-N 2.82Å; D139-D181 PolarHBondContact OD2-N 2.68Å; D139-N184 PolarHBondContact OD2-ND2 2.92Å |
| 140 | R | 87.4 | Confident | 88.5 | Confident | 110 Ų | 110 | 61.8 Ų | 61.8 | 42% | 0.415 | 29% | 0.285 | S | S | . | . | trans | -119.4 | 146 | 169.3 | -71.5 | -77.8 | -72.5 | -97.3 | -22.5 | 107.7 | D47 E48 D142 | D47-R140 HydrophobicContact CB-CG 3.87Å; D47-R140 IonicContact OD2-NH1 2.75Å; D47-R140 PolarHBondContact OD2-NH1 3.33Å; E48-R140 HydrophobicContact CG-CB 3.72Å; E48-R140 HydrophobicContact CG-CG 3.73Å; E48-R140 PolarHBondContact OE1-N 3.46Å; R140-D142 PolarHBondContact O-N 2.79Å; R140-D142 VanDerWaalsContact O-OD1 3.08Å | ||
| 141 | N | 89 | Confident | 88.6 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -79.2 | 67.7 | 175.7 | -161.7 | 63.4 | 0 | 0 | 0 | 110.1 | D180 N184 D236 A238 E243 R245 | N141-D180 VanDerWaalsContact CA-OD2 3.3Å; N141-D180 WeakPolarHBondContact CA-OD2 3.34Å; N141-D180 PolarHBondContact OD1-OD2 3.1Å; N141-N184 HydrophobicContact CB-CB 4.28Å; N141-N184 WeakPolarHBondContact OD1-CB 3.35Å; N141-D236 PolarHBondContact ND2-OD2 2.94Å; N141-D236 PolarHBondContact OD1-OD2 2.93Å; N141-A238 HydrophobicContact CB-CB 4.32Å; N141-E243 PolarHBondContact ND2-O 2.74Å; N141-R245 PolarHBondContact O-NE 2.87Å |
| 142 | D | 86.9 | Confident | 88.9 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 17% | 0.171 | 29% | 0.288 | C | S | . | . | trans | -105.8 | -10.3 | -175.8 | 72 | -41.6 | 0 | 0 | 0 | 114.5 | R140 D180 R245 | R140-D142 PolarHBondContact O-N 2.79Å; R140-D142 VanDerWaalsContact O-OD1 3.08Å; D142-D180 PolarHBondContact N-OD2 2.98Å; D142-R245 VanDerWaalsContact C-CZ 3.45Å; D142-R245 PolarHBondContact O-NH1 3.04Å; D142-R245 PolarHBondContact O-NH2 2.91Å | ||
| 143 | N | 89.2 | Confident | 89 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -98.7 | 153 | 166 | -58.3 | -80 | 0 | 0 | 0 | 111.2 | D106 I179 D180 R245 | D106-N143 PolarHBondContact OD2-ND2 2.88Å; N143-I179 HydrophobicContact CB-CD1 4.36Å; N143-I179 HydrophobicContact CB-CG1 3.83Å; N143-D180 WeakPolarHBondContact CB-OD1 3.42Å; N143-D180 PolarHBondContact N-OD1 3.44Å; N143-D180 PolarHBondContact N-OD2 2.98Å; N143-D180 PolarHBondContact ND2-OD1 3.23Å; N143-R245 WeakPolarHBondContact O-CD 3.4Å |
| 144 | S | 88.9 | Confident | 89.2 | Confident | 42 Ų | 42 | 64.2 Ų | 64.2 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | trans | -106.4 | 147.5 | 173.6 | -57.2 | 0 | 0 | 0 | 0 | 107.8 | T146 | S144-T146 PolarHBondContact O-N 3.36Š| ||
| 145 | P | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -53.8 | 141.2 | 175 | -24.7 | 31.3 | 0 | 0 | 0 | 110.6 | A176 D178 I187 A234 D236 T247 | P145-A176 HydrophobicContact CB-CB 4.38Å; P145-D178 HydrophobicContact CB-CB 4.44Å; P145-D178 WeakPolarHBondContact CD-OD2 3.25Å; P145-D178 HydrophobicContact CG-CB 4.41Å; P145-D178 WeakPolarHBondContact CG-OD2 3.34Å; P145-D178 VanDerWaalsContact N-OD2 3.17Å; P145-I187 HydrophobicContact CB-CD1 4.14Å; P145-I187 HydrophobicContact CB-CG1 4.21Å; P145-I187 HydrophobicContact CG-CG1 4.32Å; P145-A234 HydrophobicContact CB-CB 4.28Å; P145-D236 HydrophobicContact CG-CB 4.18Å; P145-T247 VanDerWaalsContact O-CB 3.24Å; P145-T247 WeakPolarHBondContact O-CB 3.45Å; P145-T247 WeakPolarHBondContact O-CG2 3.42Å; P145-T247 PolarHBondContact O-OG1 2.98Å | ||
| 146 | T | 89.9 | Confident | 89.4 | Confident | 80 Ų | 80 | 62.3 Ų | 62.3 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.8 | 178.6 | 52.7 | 0 | 0 | 0 | 0 | 110.9 | S144 A176 T177 | S144-T146 PolarHBondContact O-N 3.36Å; T146-A176 CarbonylContact O-C 3.58Å; T146-A176 WeakPolarHBondContact O-CA 3.14Å; T146-T177 PolarHBondContact N-O 3.17Å; T146-T177 PolarHBondContact O-N 3.43Å; T146-T177 PolarHBondContact OG1-O 3.14Å |
| 147 | F | 91.2 | Very high | 89.4 | Confident | 31 Ų | 31 | 61.9 Ų | 61.9 | 14% | 0.136 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 140.5 | 171.5 | -75.1 | -82.7 | 0 | 0 | 0 | 110.4 | H149 Y152 F170 A176 Y189 I232 A234 T249 | F147-H149 VanDerWaalsContact C-N 3.26Å; F147-H149 WeakPolarHBondContact CB-O 3.39Å; F147-H149 PolarHBondContact O-N 3.29Å; F147-Y152 HydrophobicContact CB-CE2 4.29Å; F147-Y152 AromaticContact CD1-CE2 3.7Å; F147-Y152 HydrophobicContact CD1-CE2 3.7Å; F147-Y152 HydrophobicContact CE1-CE2 4.4Å; F147-Y152 HydrophobicContact CG-CE2 4.28Å; F147-F170 HydrophobicContact CD1-CD1 4.45Å; F147-F170 HydrophobicContact CD1-CE1 4.26Å; F147-F170 AromaticContact CE1-CD1 3.99Å; F147-F170 HydrophobicContact CE1-CD1 3.99Å; F147-F170 AromaticContact CE1-CE1 3.78Å; F147-F170 HydrophobicContact CE1-CE1 3.78Å; F147-F170 HydrophobicContact CE1-CZ 4.5Å; F147-A176 HydrophobicContact CD1-CB 3.88Å; F147-A176 HydrophobicContact CD2-CB 4.34Å; F147-A176 HydrophobicContact CE1-CB 3.9Å; F147-A176 HydrophobicContact CE2-CB 4.34Å; F147-A176 HydrophobicContact CG-CB 4.12Å; F147-A176 HydrophobicContact CZ-CB 4.14Å; F147-Y189 HydrophobicContact CE1-CD1 4.31Å; F147-Y189 AromaticContact CE1-CE1 3.71Å; F147-Y189 HydrophobicContact CE1-CE1 3.71Å; F147-Y189 HydrophobicContact CZ-CD1 4.19Å; F147-Y189 AromaticContact CZ-CE1 3.91Å; F147-Y189 HydrophobicContact CZ-CE1 3.91Å; F147-I232 HydrophobicContact CZ-CG2 4.21Å; F147-A234 HydrophobicContact CE1-CB 4.48Å; F147-A234 HydrophobicContact CE2-CB 3.63Å; F147-A234 HydrophobicContact CZ-CB 3.55Å; F147-T249 HydrophobicContact CD1-CG2 3.7Å; F147-T249 HydrophobicContact CD2-CG2 3.81Å; F147-T249 HydrophobicContact CE1-CG2 3.54Å; F147-T249 HydrophobicContact CE2-CG2 3.67Å; F147-T249 HydrophobicContact CG-CG2 3.82Å; F147-T249 HydrophobicContact CZ-CG2 3.53Å |
| 148 | K | 87 | Confident | 89.5 | Confident | 121 Ų | 121 | 61.9 Ų | 61.9 | 53% | 0.526 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -64.5 | -32.3 | 175.7 | -170.9 | 174.8 | -166.1 | 168.5 | 0 | 113.2 | D173 | K148-D173 WeakPolarHBondContact CD-O 3.09Å; K148-D173 PolarHBondContact NZ-O 3.46Å |
| 149 | H | 89.1 | Confident | 89.5 | Confident | 86 Ų | 86 | 59 Ų | 59 | 40% | 0.398 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -121.2 | 142.4 | -180 | -60.2 | -53 | 0 | 0 | 0 | 110.2 | F147 S151 Y152 N174 | F147-H149 VanDerWaalsContact C-N 3.26Å; F147-H149 WeakPolarHBondContact CB-O 3.39Å; F147-H149 PolarHBondContact O-N 3.29Å; H149-S151 PolarHBondContact O-N 3.22Å; H149-Y152 HydrophobicContact CB-CE1 4.28Å; H149-Y152 HydrophobicContact CB-CE2 4.17Å; H149-Y152 AromaticContact CD2-CE1 3.87Å; H149-N174 PolarHBondContact CD2-OD1 3.35Å; H149-N174 PolarHBondContact NE2-OD1 3.45Å; H149-N174 VanDerWaalsContact NE2-OD1 3.17Å |
| 150 | E | 85.8 | Confident | 89.5 | Confident | 194 Ų | 194 | 58.9 Ų | 58.9 | 91% | 0.907 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -64.3 | -31.7 | 179.2 | -64.4 | -174.3 | 165.6 | 0 | 0 | 112.2 | T249 | E150-T249 PolarHBondContact O-OG1 2.76Š|
| 151 | S | 90.1 | Very high | 89.6 | Confident | 76 Ų | 76 | 58 Ų | 58 | 53% | 0.531 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 157.2 | 175.4 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | H149 T250 | H149-S151 PolarHBondContact O-N 3.22Å; S151-T250 WeakPolarHBondContact CA-O 3.43Å; S151-T250 WeakPolarHBondContact CB-O 3.36Å |
| 152 | Y | 92.3 | Very high | 89.6 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 153.9 | 176 | -66.6 | -96.7 | 0 | 0 | 0 | 109.7 | F147 H149 F167 F170 N174 T249 T250 L251 T252 | F147-Y152 HydrophobicContact CB-CE2 4.29Å; F147-Y152 AromaticContact CD1-CE2 3.7Å; F147-Y152 HydrophobicContact CD1-CE2 3.7Å; F147-Y152 HydrophobicContact CE1-CE2 4.4Å; F147-Y152 HydrophobicContact CG-CE2 4.28Å; H149-Y152 HydrophobicContact CB-CE1 4.28Å; H149-Y152 HydrophobicContact CB-CE2 4.17Å; H149-Y152 AromaticContact CD2-CE1 3.87Å; Y152-F167 HydrophobicContact CD1-CE1 4.45Å; Y152-F167 HydrophobicContact CD1-CE2 4.43Å; Y152-F167 AromaticContact CD1-CZ 3.61Å; Y152-F167 HydrophobicContact CD1-CZ 3.61Å; Y152-F167 HydrophobicContact CE1-CZ 4.42Å; Y152-F167 AromaticContact CG-CZ 4Å; Y152-F167 HydrophobicContact CG-CZ 4Å; Y152-F170 HydrophobicContact CD1-CE1 4.16Å; Y152-F170 AromaticContact CD2-CE1 3.7Å; Y152-F170 HydrophobicContact CD2-CE1 3.7Å; Y152-F170 HydrophobicContact CD2-CZ 4.37Å; Y152-F170 HydrophobicContact CE1-CD1 4.27Å; Y152-F170 HydrophobicContact CE1-CE1 4.1Å; Y152-F170 HydrophobicContact CE2-CD1 4.37Å; Y152-F170 AromaticContact CE2-CE1 3.69Å; Y152-F170 HydrophobicContact CE2-CE1 3.69Å; Y152-F170 AromaticContact CG-CE1 3.94Å; Y152-F170 HydrophobicContact CG-CE1 3.94Å; Y152-F170 AromaticContact CZ-CE1 3.87Å; Y152-N174 PolarHBondContact OH-O 3.02Å; Y152-T249 HydrophobicContact CD2-CG2 3.79Å; Y152-T249 HydrophobicContact CE2-CG2 3.88Å; Y152-T250 PolarHBondContact N-O 3.32Å; Y152-L251 WeakPolarHBondContact O-CA 3.37Å; Y152-T252 PolarHBondContact O-N 2.94Å |
| 153 | Y | 91.3 | Very high | 89.6 | Confident | 133 Ų | 133 | 61.7 Ų | 61.7 | 52% | 0.522 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 137.3 | -176.7 | -176.1 | -100.2 | 0 | 0 | 0 | 110.4 | T155 T252 D254 | Y153-T155 HydrophobicContact CE1-CG2 3.64Å; Y153-T155 WeakPolarHBondContact OH-CG2 3.41Å; Y153-T252 WeakPolarHBondContact CA-O 3.37Å; Y153-T252 HydrophobicContact CD2-CG2 4.32Å; Y153-T252 HydrophobicContact CE2-CG2 4.46Å; Y153-D254 HydrophobicContact CE2-CB 4.22Å; Y153-D254 VanDerWaalsContact CE2-OD2 3.26Å; Y153-D254 WeakPolarHBondContact CE2-OD2 3.42Å; Y153-D254 WeakPolarHBondContact OH-CB 3.45Å; Y153-D254 VanDerWaalsContact OH-CG 3.28Å; Y153-D254 PolarHBondContact OH-OD2 2.81Å |
| 154 | A | 91.1 | Very high | 89.6 | Confident | 11 Ų | 11 | 62.2 Ų | 62.2 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 150.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | F167 L251 T252 V253 D254 | A154-F167 HydrophobicContact CB-CD2 4.01Å; A154-L251 HydrophobicContact CB-CD1 4.23Å; A154-T252 PolarHBondContact N-O 2.94Å; A154-V253 VanDerWaalsContact O-CA 3.32Å; A154-V253 WeakPolarHBondContact O-CA 3.09Å; A154-D254 PolarHBondContact O-N 3.25Å |
| 155 | T | 90.7 | Very high | 89.6 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 45% | 0.454 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 142.1 | 171.1 | 48.5 | 0 | 0 | 0 | 0 | 109.5 | Y153 D254 | Y153-T155 HydrophobicContact CE1-CG2 3.64Å; Y153-T155 WeakPolarHBondContact OH-CG2 3.41Å; T155-D254 CarbonylContact C-O 3.55Å; T155-D254 VanDerWaalsContact CA-O 3.28Å; T155-D254 WeakPolarHBondContact CA-O 3.42Å; T155-D254 HydrophobicContact CG2-CB 4.08Å |
| 156 | V | 91.6 | Very high | 89.4 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 6% | 0.055 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 130.4 | 179.5 | 59.4 | 0 | 0 | 0 | 0 | 109.6 | T160 I166 L220 V253 D254 V255 L256 | V156-T160 HydrophobicContact CG2-CG2 4.21Å; V156-I166 HydrophobicContact CB-CG2 4.25Å; V156-I166 HydrophobicContact CG2-CG2 3.74Å; V156-L220 HydrophobicContact CB-CD1 4.31Å; V156-L220 HydrophobicContact CG1-CD1 3.42Å; V156-L220 VanDerWaalsContact CG1-CD1 3.42Å; V156-L220 HydrophobicContact CG2-CD1 3.91Å; V156-V253 HydrophobicContact CB-CG1 4.46Å; V156-V253 HydrophobicContact CG1-CG1 3.52Å; V156-D254 PolarHBondContact N-O 2.9Å; V156-V255 CarbonylContact O-C 3.5Å; V156-V255 VanDerWaalsContact O-CA 3.28Å; V156-V255 WeakPolarHBondContact O-CA 3.45Å; V156-L256 PolarHBondContact O-N 3.45Å |
| 157 | N | 89.5 | Confident | 89.3 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 139.3 | 174.6 | -177 | -65.1 | 0 | 0 | 0 | 110.1 | L159 T160 L256 | N157-L159 PolarHBondContact O-N 3.39Å; N157-L159 WeakPolarHBondContact OD1-CB 3.42Å; N157-L159 VanDerWaalsContact OD1-CG 3.27Å; N157-L159 WeakPolarHBondContact OD1-CG 3.37Å; N157-L159 PolarHBondContact OD1-N 3.4Å; N157-T160 WeakPolarHBondContact O-CB 3.38Å; N157-T160 PolarHBondContact O-N 3.3Å; N157-T160 PolarHBondContact O-OG1 2.86Å; N157-L256 WeakPolarHBondContact CA-O 3.5Å; N157-L256 HydrophobicContact CB-CB 4.41Å |
| 158 | E | 90.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -26.5 | -176.4 | 76.8 | -172.7 | 111.7 | 0 | 0 | 115 | T160 L220 N221 Y222 V255 L256 D257 G258 | E158-T160 PolarHBondContact O-N 2.87Å; E158-T160 VanDerWaalsContact O-N 3.12Å; E158-L220 HydrophobicContact CB-CB 4.04Å; E158-N221 WeakPolarHBondContact OE2-CA 3.35Å; E158-Y222 WeakPolarHBondContact OE1-CB 3.14Å; E158-Y222 WeakPolarHBondContact OE2-CB 3.22Å; E158-Y222 PolarHBondContact OE2-N 2.8Å; E158-V255 HydrophobicContact CB-CG1 3.81Å; E158-L256 PolarHBondContact N-O 2.92Å; E158-D257 VanDerWaalsContact OE1-CA 3.3Å; E158-D257 WeakPolarHBondContact OE1-CA 3.24Å; E158-G258 PolarHBondContact OE1-N 3.39Å |
| 159 | L | 87.1 | Confident | 88.9 | Confident | 72 Ų | 72 | 59.3 Ų | 59.3 | 38% | 0.377 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -6.1 | 175.4 | -53 | 178.4 | 0 | 0 | 0 | 112.2 | N157 P161 D260 | N157-L159 PolarHBondContact O-N 3.39Å; N157-L159 WeakPolarHBondContact OD1-CB 3.42Å; N157-L159 VanDerWaalsContact OD1-CG 3.27Å; N157-L159 WeakPolarHBondContact OD1-CG 3.37Å; N157-L159 PolarHBondContact OD1-N 3.4Å; L159-P161 WeakPolarHBondContact O-CD 3.4Å; L159-D260 HydrophobicContact CD2-CB 3.81Å |
| 160 | T | 88.7 | Confident | 88.7 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 17% | 0.172 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 123.1 | 178.9 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | V156 N157 E158 T164 L216 | V156-T160 HydrophobicContact CG2-CG2 4.21Å; N157-T160 WeakPolarHBondContact O-CB 3.38Å; N157-T160 PolarHBondContact O-N 3.3Å; N157-T160 PolarHBondContact O-OG1 2.86Å; E158-T160 PolarHBondContact O-N 2.87Å; E158-T160 VanDerWaalsContact O-N 3.12Å; T160-T164 HydrophobicContact CG2-CG2 3.84Å; T160-L216 HydrophobicContact CG2-CD2 4.4Å; T160-L216 WeakPolarHBondContact O-CD2 3.25Å |
| 161 | P | 90.1 | Very high | 88.3 | Confident | 90 Ų | 90 | 49.7 Ų | 49.7 | 58% | 0.584 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 146 | 177.6 | -22.9 | 33.5 | 0 | 0 | 0 | 112.6 | L159 T164 | L159-P161 WeakPolarHBondContact O-CD 3.4Å; P161-T164 WeakPolarHBondContact O-CB 3.29Å; P161-T164 PolarHBondContact O-N 2.99Å; P161-T164 PolarHBondContact O-OG1 2.83Å |
| 162 | V | 88.6 | Confident | 87.7 | Confident | 80 Ų | 80 | 49.2 Ų | 49.2 | 49% | 0.485 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 139.6 | 171.1 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | L216 R217 R219 | V162-L216 WeakPolarHBondContact CG1-O 3.28Å; V162-R217 WeakPolarHBondContact CG1-O 3.33Å; V162-R219 HydrophobicContact CG2-CB 4.15Å |
| 163 | G | 86.9 | Confident | 86.9 | Confident | 53 Ų | 53 | 55.4 Ų | 55.4 | 55% | 0.546 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -4.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V215 L216 | G163-V215 VanDerWaalsContact C-CG1 3.45Å; G163-V215 WeakPolarHBondContact O-CG1 3.49Å; G163-L216 PolarHBondContact N-O 2.88Å |
| 164 | T | 88.3 | Confident | 86.6 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | trans | -77.4 | 135.8 | 176.7 | -50.2 | 0 | 0 | 0 | 0 | 111 | T160 P161 I166 V215 L216 | T160-T164 HydrophobicContact CG2-CG2 3.84Å; P161-T164 WeakPolarHBondContact O-CB 3.29Å; P161-T164 PolarHBondContact O-N 2.99Å; P161-T164 PolarHBondContact O-OG1 2.83Å; T164-I166 PolarHBondContact O-N 2.82Å; T164-V215 WeakPolarHBondContact O-CA 3.47Å; T164-L216 PolarHBondContact O-N 2.88Å | ||
| 165 | T | 88.9 | Confident | 86.3 | Confident | 68 Ų | 68 | 51 Ų | 51 | 42% | 0.417 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 119.5 | 172.6 | -52.1 | 0 | 0 | 0 | 0 | 109.7 | T168 N213 V214 | T165-T168 HydrophobicContact CG2-CG2 3.6Å; T165-N213 HydrophobicContact CG2-CB 3.96Å; T165-V214 CarbonylContact C-O 3.56Å |
| 166 | I | 87.7 | Confident | 86.2 | Confident | 30 Ų | 30 | 48 Ų | 48 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -22.1 | -177.8 | 59.3 | 152.9 | 0 | 0 | 0 | 112.9 | V156 T164 F204 V214 L216 V253 | V156-I166 HydrophobicContact CB-CG2 4.25Å; V156-I166 HydrophobicContact CG2-CG2 3.74Å; T164-I166 PolarHBondContact O-N 2.82Å; I166-F204 HydrophobicContact CD1-CD1 3.47Å; I166-F204 VanDerWaalsContact CD1-CD1 3.47Å; I166-F204 HydrophobicContact CD1-CE1 3.39Å; I166-F204 HydrophobicContact CD1-CZ 4.4Å; I166-F204 HydrophobicContact CG1-CD1 4.42Å; I166-V214 HydrophobicContact CD1-CG1 4.01Å; I166-V214 HydrophobicContact CG1-CB 4.15Å; I166-V214 HydrophobicContact CG1-CG1 4.02Å; I166-V214 VanDerWaalsContact CG1-O 3.3Å; I166-V214 WeakPolarHBondContact CG1-O 3.26Å; I166-V214 PolarHBondContact N-O 2.98Å; I166-L216 HydrophobicContact CG2-CB 4.2Å; I166-V253 HydrophobicContact CD1-CG1 4.1Å; I166-V253 HydrophobicContact CD1-CG2 4.08Å |
| 167 | F | 89.5 | Confident | 86 | Confident | 22 Ų | 22 | 51 Ų | 51 | 10% | 0.096 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 127.1 | -176.7 | -175.1 | -99.2 | 0 | 0 | 0 | 111.8 | Y152 A154 F170 N213 V214 L251 | Y152-F167 HydrophobicContact CD1-CE1 4.45Å; Y152-F167 HydrophobicContact CD1-CE2 4.43Å; Y152-F167 AromaticContact CD1-CZ 3.61Å; Y152-F167 HydrophobicContact CD1-CZ 3.61Å; Y152-F167 HydrophobicContact CE1-CZ 4.42Å; Y152-F167 AromaticContact CG-CZ 4Å; Y152-F167 HydrophobicContact CG-CZ 4Å; A154-F167 HydrophobicContact CB-CD2 4.01Å; F167-F170 HydrophobicContact CD1-CD2 4.03Å; F167-F170 AromaticContact CD1-CE2 3.76Å; F167-F170 HydrophobicContact CD1-CE2 3.76Å; F167-F170 HydrophobicContact CD1-CZ 4.13Å; F167-F170 AromaticContact CE1-CD1 3.9Å; F167-F170 HydrophobicContact CE1-CD1 3.9Å; F167-F170 AromaticContact CE1-CD2 3.7Å; F167-F170 HydrophobicContact CE1-CD2 3.7Å; F167-F170 AromaticContact CE1-CE1 3.71Å; F167-F170 HydrophobicContact CE1-CE1 3.71Å; F167-F170 AromaticContact CE1-CE2 3.5Å; F167-F170 HydrophobicContact CE1-CE2 3.5Å; F167-F170 VanDerWaalsContact CE1-CE2 3.5Å; F167-F170 AromaticContact CE1-CG 3.89Å; F167-F170 HydrophobicContact CE1-CG 3.89Å; F167-F170 AromaticContact CE1-CZ 3.49Å; F167-F170 HydrophobicContact CE1-CZ 3.49Å; F167-F170 VanDerWaalsContact CE1-CZ 3.49Å; F167-F170 HydrophobicContact CZ-CE1 4.31Å; F167-F170 HydrophobicContact CZ-CZ 4.36Å; F167-N213 WeakPolarHBondContact O-CA 3.44Å; F167-V214 HydrophobicContact CB-CB 4.12Å; F167-V214 HydrophobicContact CB-CG2 4.33Å; F167-V214 HydrophobicContact CD1-CG2 4.28Å; F167-V214 PolarHBondContact N-O 3.01Å; F167-V214 PolarHBondContact O-N 2.79Å; F167-L251 HydrophobicContact CB-CD2 4.23Å; F167-L251 HydrophobicContact CD1-CD1 4.44Å; F167-L251 HydrophobicContact CD1-CD2 4.17Å; F167-L251 HydrophobicContact CD2-CD1 4.04Å; F167-L251 HydrophobicContact CE2-CD1 4.11Å; F167-L251 HydrophobicContact CG-CD1 4.19Å; F167-L251 HydrophobicContact CG-CD2 4.15Å; F167-L251 HydrophobicContact CZ-CD1 4.35Å |
| 168 | T | 86.4 | Confident | 86.1 | Confident | 75 Ų | 75 | 49.3 Ų | 49.3 | 46% | 0.46 | 32% | 0.321 | S | S | . | . | trans | -123.4 | 12.8 | 177.1 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | T165 F170 S171 | T165-T168 HydrophobicContact CG2-CG2 3.6Å; T168-F170 PolarHBondContact O-N 3.01Å; T168-F170 VanDerWaalsContact O-N 3.12Å; T168-S171 WeakPolarHBondContact O-CB 3.36Å; T168-S171 PolarHBondContact O-N 3.12Å; T168-S171 VanDerWaalsContact O-N 3.14Å; T168-S171 PolarHBondContact O-OG 2.74Å | ||
| 169 | G | 82.8 | Confident | 86 | Confident | 18 Ų | 18 | 53.2 Ų | 53.2 | 19% | 0.186 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -6 | -170 | 0 | 0 | 0 | 0 | 0 | 115.2 | S171 N174 | G169-S171 VanDerWaalsContact C-N 3.3Å; G169-N174 WeakPolarHBondContact O-CB 2.97Å; G169-N174 PolarHBondContact O-ND2 2.94Å |
| 170 | F | 83.8 | Confident | 86.2 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -2.8 | 172.1 | -55.3 | -49.5 | 0 | 0 | 0 | 113.9 | F147 Y152 F167 T168 G175 Y189 G212 V214 I232 T249 | F147-F170 HydrophobicContact CD1-CD1 4.45Å; F147-F170 HydrophobicContact CD1-CE1 4.26Å; F147-F170 AromaticContact CE1-CD1 3.99Å; F147-F170 HydrophobicContact CE1-CD1 3.99Å; F147-F170 AromaticContact CE1-CE1 3.78Å; F147-F170 HydrophobicContact CE1-CE1 3.78Å; F147-F170 HydrophobicContact CE1-CZ 4.5Å; Y152-F170 HydrophobicContact CD1-CE1 4.16Å; Y152-F170 AromaticContact CD2-CE1 3.7Å; Y152-F170 HydrophobicContact CD2-CE1 3.7Å; Y152-F170 HydrophobicContact CD2-CZ 4.37Å; Y152-F170 HydrophobicContact CE1-CD1 4.27Å; Y152-F170 HydrophobicContact CE1-CE1 4.1Å; Y152-F170 HydrophobicContact CE2-CD1 4.37Å; Y152-F170 AromaticContact CE2-CE1 3.69Å; Y152-F170 HydrophobicContact CE2-CE1 3.69Å; Y152-F170 AromaticContact CG-CE1 3.94Å; Y152-F170 HydrophobicContact CG-CE1 3.94Å; Y152-F170 AromaticContact CZ-CE1 3.87Å; F167-F170 HydrophobicContact CD1-CD2 4.03Å; F167-F170 AromaticContact CD1-CE2 3.76Å; F167-F170 HydrophobicContact CD1-CE2 3.76Å; F167-F170 HydrophobicContact CD1-CZ 4.13Å; F167-F170 AromaticContact CE1-CD1 3.9Å; F167-F170 HydrophobicContact CE1-CD1 3.9Å; F167-F170 AromaticContact CE1-CD2 3.7Å; F167-F170 HydrophobicContact CE1-CD2 3.7Å; F167-F170 AromaticContact CE1-CE1 3.71Å; F167-F170 HydrophobicContact CE1-CE1 3.71Å; F167-F170 AromaticContact CE1-CE2 3.5Å; F167-F170 HydrophobicContact CE1-CE2 3.5Å; F167-F170 VanDerWaalsContact CE1-CE2 3.5Å; F167-F170 AromaticContact CE1-CG 3.89Å; F167-F170 HydrophobicContact CE1-CG 3.89Å; F167-F170 AromaticContact CE1-CZ 3.49Å; F167-F170 HydrophobicContact CE1-CZ 3.49Å; F167-F170 VanDerWaalsContact CE1-CZ 3.49Å; F167-F170 HydrophobicContact CZ-CE1 4.31Å; F167-F170 HydrophobicContact CZ-CZ 4.36Å; T168-F170 PolarHBondContact O-N 3.01Å; T168-F170 VanDerWaalsContact O-N 3.12Å; F170-G175 WeakPolarHBondContact O-CA 3.16Å; F170-Y189 HydrophobicContact CB-CE1 4.35Å; F170-Y189 HydrophobicContact CB-CE2 4.32Å; F170-Y189 HydrophobicContact CG-CE1 4.3Å; F170-G212 VanDerWaalsContact CD2-O 3.28Å; F170-G212 WeakPolarHBondContact CD2-O 3.33Å; F170-V214 HydrophobicContact CE2-CG2 4.3Å; F170-I232 HydrophobicContact CE2-CB 4.46Å; F170-I232 HydrophobicContact CE2-CD1 4.4Å; F170-I232 HydrophobicContact CE2-CG1 4.11Å; F170-I232 HydrophobicContact CE2-CG2 3.85Å; F170-I232 HydrophobicContact CZ-CB 4.17Å; F170-I232 HydrophobicContact CZ-CG1 3.91Å; F170-I232 HydrophobicContact CZ-CG2 3.89Å; F170-T249 HydrophobicContact CE1-CG2 4.44Å |
| 171 | S | 77.5 | Confident | 86 | Confident | 72 Ų | 72 | 53 Ų | 53 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -77 | 145.5 | 176.3 | 58.5 | 0 | 0 | 0 | 0 | 112.4 | T168 G169 | T168-S171 WeakPolarHBondContact O-CB 3.36Å; T168-S171 PolarHBondContact O-N 3.12Å; T168-S171 VanDerWaalsContact O-N 3.14Å; T168-S171 PolarHBondContact O-OG 2.74Å; G169-S171 VanDerWaalsContact C-N 3.3Å |
| 172 | G | 77.4 | Confident | 85.8 | Confident | 67 Ų | 67 | 50.3 Ų | 50.3 | 69% | 0.691 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | 67.5 | -147.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N174 | G172-N174 PolarHBondContact O-N 3.38Š|
| 173 | D | 76 | Confident | 85.7 | Confident | 141 Ų | 141 | 49.2 Ų | 49.2 | 75% | 0.754 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -76.9 | 16.3 | -175.7 | -61 | -13 | 0 | 0 | 0 | 113.9 | K148 | K148-D173 WeakPolarHBondContact CD-O 3.09Å; K148-D173 PolarHBondContact NZ-O 3.46Å |
| 174 | N | 84.2 | Confident | 85.7 | Confident | 51 Ų | 51 | 47.9 Ų | 47.9 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -113.2 | -9.3 | -176.1 | -160.5 | 58 | 0 | 0 | 0 | 113.8 | H149 Y152 G169 G172 | H149-N174 PolarHBondContact CD2-OD1 3.35Å; H149-N174 PolarHBondContact NE2-OD1 3.45Å; H149-N174 VanDerWaalsContact NE2-OD1 3.17Å; Y152-N174 PolarHBondContact OH-O 3.02Å; G169-N174 WeakPolarHBondContact O-CB 2.97Å; G169-N174 PolarHBondContact O-ND2 2.94Å; G172-N174 PolarHBondContact O-N 3.38Å |
| 175 | G | 85.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -77.3 | -160.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | F170 | F170-G175 WeakPolarHBondContact O-CA 3.16Š|
| 176 | A | 88.5 | Confident | 85.6 | Confident | 10 Ų | 10 | 47 Ų | 47 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 144.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | P145 T146 F147 I187 Y189 A234 | P145-A176 HydrophobicContact CB-CB 4.38Å; T146-A176 CarbonylContact O-C 3.58Å; T146-A176 WeakPolarHBondContact O-CA 3.14Å; F147-A176 HydrophobicContact CD1-CB 3.88Å; F147-A176 HydrophobicContact CD2-CB 4.34Å; F147-A176 HydrophobicContact CE1-CB 3.9Å; F147-A176 HydrophobicContact CE2-CB 4.34Å; F147-A176 HydrophobicContact CG-CB 4.12Å; F147-A176 HydrophobicContact CZ-CB 4.14Å; A176-I187 HydrophobicContact CB-CD1 3.87Å; A176-I187 HydrophobicContact CB-CG2 4.35Å; A176-I187 WeakPolarHBondContact O-CD1 3.25Å; A176-Y189 HydrophobicContact CB-CE1 4.02Å; A176-Y189 PolarHBondContact N-OH 3.29Å; A176-Y189 PolarHBondContact O-OH 3.19Å; A176-A234 HydrophobicContact CB-CB 3.77Å |
| 177 | T | 88.8 | Confident | 85.7 | Confident | 72 Ų | 72 | 46.6 Ų | 46.6 | 44% | 0.442 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.3 | 173.8 | 52.3 | 0 | 0 | 0 | 0 | 109.4 | T146 | T146-T177 PolarHBondContact N-O 3.17Å; T146-T177 PolarHBondContact O-N 3.43Å; T146-T177 PolarHBondContact OG1-O 3.14Å |
| 178 | D | 91 | Very high | 85.7 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | trans | -122 | 135.8 | 173.2 | -160.9 | -36.4 | 0 | 0 | 0 | 107.2 | P145 D180 I187 | P145-D178 HydrophobicContact CB-CB 4.44Å; P145-D178 WeakPolarHBondContact CD-OD2 3.25Å; P145-D178 HydrophobicContact CG-CB 4.41Å; P145-D178 WeakPolarHBondContact CG-OD2 3.34Å; P145-D178 VanDerWaalsContact N-OD2 3.17Å; D178-D180 PolarHBondContact OD1-N 3.23Å; D178-D180 VanDerWaalsContact OD1-N 3.13Å; D178-I187 HydrophobicContact CB-CD1 4.12Å; D178-I187 HydrophobicContact CB-CG1 4.26Å | ||
| 179 | I | 88.9 | Confident | 86 | Confident | 82 Ų | 82 | 44 Ų | 44 | 42% | 0.421 | 28% | 0.275 | S | S | . | . | trans | -90.9 | -13.5 | -173.5 | 62.3 | 175.2 | 0 | 0 | 0 | 112.5 | D106 N143 | D106-I179 HydrophobicContact CB-CD1 4.04Å; D106-I179 HydrophobicContact CB-CG1 4.32Å; N143-I179 HydrophobicContact CB-CD1 4.36Å; N143-I179 HydrophobicContact CB-CG1 3.83Å | ||
| 180 | D | 90.6 | Very high | 86.4 | Confident | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.043 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -62.9 | 160.9 | 173.8 | -62.5 | -4.9 | 0 | 0 | 0 | 110.3 | N141 D142 N143 D178 N184 G185 | N141-D180 VanDerWaalsContact CA-OD2 3.3Å; N141-D180 WeakPolarHBondContact CA-OD2 3.34Å; N141-D180 PolarHBondContact OD1-OD2 3.1Å; D142-D180 PolarHBondContact N-OD2 2.98Å; N143-D180 WeakPolarHBondContact CB-OD1 3.42Å; N143-D180 PolarHBondContact N-OD1 3.44Å; N143-D180 PolarHBondContact N-OD2 2.98Å; N143-D180 PolarHBondContact ND2-OD1 3.23Å; D178-D180 PolarHBondContact OD1-N 3.23Å; D178-D180 VanDerWaalsContact OD1-N 3.13Å; D180-N184 HydrophobicContact CB-CB 3.63Å; D180-G185 WeakPolarHBondContact O-CA 3.36Å; D180-G185 PolarHBondContact O-N 3.34Å |
| 181 | D | 85.4 | Confident | 86.7 | Confident | 88 Ų | 88 | 46 Ų | 46 | 47% | 0.471 | 28% | 0.283 | S | S | . | . | trans | -100.7 | 161.5 | -177.1 | -168.8 | 19.7 | 0 | 0 | 0 | 113.5 | R105 D139 N184 | R105-D181 IonicContact CZ-OD2 2.84Å; R105-D181 IonicContact NH1-OD2 2.77Å; R105-D181 PolarHBondContact NH1-OD2 2.86Å; R105-D181 VanDerWaalsContact NH1-OD2 3.15Å; R105-D181 IonicContact NH2-OD2 2.8Å; R105-D181 PolarHBondContact NH2-OD2 2.76Å; D139-D181 HydrophobicContact CB-CB 4.43Å; D139-D181 WeakPolarHBondContact OD1-CB 3.24Å; D139-D181 PolarHBondContact OD1-N 2.82Å; D139-D181 PolarHBondContact OD2-N 2.68Å; D181-N184 PolarHBondContact O-N 3.04Å | ||
| 182 | G | 85.1 | Confident | 87.3 | Confident | 33 Ų | 33 | 46.2 Ų | 46.2 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | -136.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N184 G185 Q186 | G182-N184 VanDerWaalsContact C-N 3.28Å; G182-N184 PolarHBondContact O-N 2.79Å; G182-G185 PolarHBondContact O-N 3.21Å; G182-Q186 WeakPolarHBondContact O-CG 3.35Å; G182-Q186 PolarHBondContact O-N 2.74Å |
| 183 | P | 86.3 | Confident | 87.9 | Confident | 57 Ų | 57 | 49 Ų | 49 | 37% | 0.37 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24.8 | 178.8 | -20.5 | 33.2 | 0 | 0 | 0 | 114.5 | Q186 R237 | P183-Q186 PolarHBondContact O-N 2.89Å; P183-R237 WeakPolarHBondContact CB-O 3.25Å; P183-R237 CarbonylContact O-C 3.6Å; P183-R237 VanDerWaalsContact O-C 3.23Å; P183-R237 VanDerWaalsContact O-CA 3.3Å; P183-R237 WeakPolarHBondContact O-CA 3.34Å; P183-R237 VanDerWaalsContact O-CB 3.28Å; P183-R237 WeakPolarHBondContact O-CB 3.34Å; P183-R237 PolarHBondContact O-N 2.78Å; P183-R237 VanDerWaalsContact O-N 3.14Å |
| 184 | N | 87.1 | Confident | 88.6 | Confident | 25 Ų | 25 | 42.7 Ų | 42.7 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -42.2 | 177.1 | -64.1 | -14.6 | 0 | 0 | 0 | 109.8 | D139 N141 D180 D181 G182 Q186 D236 | D139-N184 PolarHBondContact OD2-ND2 2.92Å; N141-N184 HydrophobicContact CB-CB 4.28Å; N141-N184 WeakPolarHBondContact OD1-CB 3.35Å; D180-N184 HydrophobicContact CB-CB 3.63Å; D181-N184 PolarHBondContact O-N 3.04Å; G182-N184 VanDerWaalsContact C-N 3.28Å; G182-N184 PolarHBondContact O-N 2.79Å; N184-Q186 VanDerWaalsContact C-N 3.28Å; N184-Q186 PolarHBondContact O-N 3.13Å; N184-D236 WeakPolarHBondContact O-CB 3.13Å |
| 185 | G | 86 | Confident | 88.7 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 21% | 0.206 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -71.6 | -9.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | D180 G182 | D180-G185 WeakPolarHBondContact O-CA 3.36Å; D180-G185 PolarHBondContact O-N 3.34Å; G182-G185 PolarHBondContact O-N 3.21Å |
| 186 | Q | 89.1 | Confident | 88.7 | Confident | 87 Ų | 87 | 53.4 Ų | 53.4 | 41% | 0.407 | 29% | 0.289 | S | S | . | . | trans | -89.3 | 130.9 | -176.5 | -78.3 | 177.6 | 18.8 | 0 | 0 | 111.9 | G182 P183 N184 D236 R237 | G182-Q186 WeakPolarHBondContact O-CG 3.35Å; G182-Q186 PolarHBondContact O-N 2.74Å; P183-Q186 PolarHBondContact O-N 2.89Å; N184-Q186 VanDerWaalsContact C-N 3.28Å; N184-Q186 PolarHBondContact O-N 3.13Å; Q186-D236 CarbonylContact O-C 3.5Å; Q186-D236 WeakPolarHBondContact O-CA 3.2Å; Q186-R237 HydrophobicContact CB-CB 4.35Å; Q186-R237 HydrophobicContact CB-CG 4.37Å; Q186-R237 WeakPolarHBondContact O-CG 3.01Å; Q186-R237 PolarHBondContact O-N 2.91Å | ||
| 187 | I | 89.8 | Confident | 88.7 | Confident | 22 Ų | 22 | 53 Ų | 53 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 136.3 | -172.2 | -61.1 | 163.4 | 0 | 0 | 0 | 111.8 | P145 A176 D178 Y189 A234 N235 | P145-I187 HydrophobicContact CB-CD1 4.14Å; P145-I187 HydrophobicContact CB-CG1 4.21Å; P145-I187 HydrophobicContact CG-CG1 4.32Å; A176-I187 HydrophobicContact CB-CD1 3.87Å; A176-I187 HydrophobicContact CB-CG2 4.35Å; A176-I187 WeakPolarHBondContact O-CD1 3.25Å; D178-I187 HydrophobicContact CB-CD1 4.12Å; D178-I187 HydrophobicContact CB-CG1 4.26Å; I187-Y189 HydrophobicContact CG2-CD1 4.45Å; I187-Y189 HydrophobicContact CG2-CD2 4.44Å; I187-Y189 HydrophobicContact CG2-CE1 4.04Å; I187-Y189 HydrophobicContact CG2-CE2 4.02Å; I187-A234 HydrophobicContact CG2-CB 3.76Å; I187-N235 CarbonylContact C-O 3.59Å; I187-N235 WeakPolarHBondContact CA-O 3.41Å |
| 188 | E | 89.8 | Confident | 88.5 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 15% | 0.15 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133 | 166.9 | 58.9 | 176.2 | -142.7 | 0 | 0 | 110.3 | M209 A234 N235 R237 R244 | E188-M209 HydrophobicContact CB-CB 4.25Å; E188-A234 WeakPolarHBondContact O-CA 3.34Å; E188-N235 HydrophobicContact CG-CB 3.68Å; E188-N235 WeakPolarHBondContact CG-O 3.38Å; E188-N235 PolarHBondContact N-O 2.79Å; E188-N235 PolarHBondContact O-N 3.42Å; E188-N235 PolarHBondContact OE1-ND2 3.33Å; E188-R237 HydrophobicContact CB-CG 4.49Å; E188-R237 HydrophobicContact CG-CG 4.3Å; E188-R244 IonicContact OE1-CZ 2.75Å; E188-R244 IonicContact OE1-NH1 2.66Å; E188-R244 PolarHBondContact OE1-NH1 3.08Å; E188-R244 IonicContact OE2-CZ 2.71Å; E188-R244 IonicContact OE2-NH1 3.62Å; E188-R244 PolarHBondContact OE2-NH1 2.91Å; E188-R244 IonicContact OE2-NH2 3.06Å |
| 189 | Y | 91.8 | Very high | 88.3 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 4% | 0.043 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 133.2 | 177.7 | -61.1 | -81.6 | 0 | 0 | 0 | 110.8 | F147 F170 A176 I187 M209 I232 Q233 A234 | F147-Y189 HydrophobicContact CE1-CD1 4.31Å; F147-Y189 AromaticContact CE1-CE1 3.71Å; F147-Y189 HydrophobicContact CE1-CE1 3.71Å; F147-Y189 HydrophobicContact CZ-CD1 4.19Å; F147-Y189 AromaticContact CZ-CE1 3.91Å; F147-Y189 HydrophobicContact CZ-CE1 3.91Å; F170-Y189 HydrophobicContact CB-CE1 4.35Å; F170-Y189 HydrophobicContact CB-CE2 4.32Å; F170-Y189 HydrophobicContact CG-CE1 4.3Å; A176-Y189 HydrophobicContact CB-CE1 4.02Å; A176-Y189 PolarHBondContact N-OH 3.29Å; A176-Y189 PolarHBondContact O-OH 3.19Å; I187-Y189 HydrophobicContact CG2-CD1 4.45Å; I187-Y189 HydrophobicContact CG2-CD2 4.44Å; I187-Y189 HydrophobicContact CG2-CE1 4.04Å; I187-Y189 HydrophobicContact CG2-CE2 4.02Å; Y189-M209 WeakPolarHBondContact CD2-O 2.89Å; Y189-M209 PolarHBondContact N-O 2.93Å; Y189-I232 HydrophobicContact CD1-CG2 4.09Å; Y189-Q233 WeakPolarHBondContact CA-O 3.45Å; Y189-A234 HydrophobicContact CD1-CB 4.09Å; Y189-A234 HydrophobicContact CE1-CB 3.98Å |
| 190 | V | 91.1 | Very high | 88.2 | Confident | 37 Ų | 37 | 50.7 Ų | 50.7 | 22% | 0.224 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.7 | 174.4 | -64.9 | 0 | 0 | 0 | 0 | 110.7 | M209 Q233 | V190-M209 HydrophobicContact CG1-CE 4.43Å; V190-M209 HydrophobicContact CG1-CG 4.37Å; V190-M209 HydrophobicContact CG1-SD 4.27Å; V190-Q233 HydrophobicContact CG2-CB 3.95Å; V190-Q233 HydrophobicContact CG2-CG 4.37Å; V190-Q233 PolarHBondContact N-O 3.46Å; V190-Q233 PolarHBondContact O-N 3.42Å |
| 191 | I | 90.7 | Very high | 88 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 14% | 0.144 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 121.5 | 172.3 | -62.3 | 177.2 | 0 | 0 | 0 | 108 | F204 I206 V230 I232 | I191-F204 HydrophobicContact CD1-CB 3.89Å; I191-F204 WeakPolarHBondContact CD1-O 3.14Å; I191-I206 HydrophobicContact CD1-CG1 4.08Å; I191-I206 HydrophobicContact CG1-CD1 3.75Å; I191-I206 HydrophobicContact CG1-CG1 3.84Å; I191-V230 HydrophobicContact CD1-CG1 4.04Å; I191-V230 HydrophobicContact CG1-CG1 4.05Å; I191-V230 HydrophobicContact CG2-CG1 3.75Å; I191-I232 HydrophobicContact CG1-CD1 4.06Å |
| 192 | Q | 89.9 | Confident | 88 | Confident | 76 Ų | 76 | 52.2 Ų | 52.2 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 140 | 173.6 | -172 | -179.8 | 4.2 | 0 | 0 | 109.6 | N194 I231 Q233 T248 | Q192-N194 PolarHBondContact O-N 2.78Å; Q192-N194 VanDerWaalsContact O-N 3.15Å; Q192-I231 HydrophobicContact CB-CB 4.17Å; Q192-I231 HydrophobicContact CB-CG2 3.92Å; Q192-I231 PolarHBondContact N-O 3.05Å; Q192-Q233 HydrophobicContact CB-CB 4.28Å; Q192-T248 VanDerWaalsContact OE1-CG2 3.28Å |
| 193 | Y | 90.4 | Very high | 88.2 | Confident | 126 Ų | 126 | 51.1 Ų | 51.1 | 49% | 0.494 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 119.4 | 173.3 | 177.4 | -98.3 | 0 | 0 | 0 | 110.4 | P195 P198 N201 | Y193-P195 HydrophobicContact CD1-CG 4.31Å; Y193-P195 HydrophobicContact CE1-CB 4.27Å; Y193-P195 HydrophobicContact CE1-CG 4.19Å; Y193-P195 WeakPolarHBondContact O-CD 3.25Å; Y193-P198 HydrophobicContact CE2-CB 4.08Å; Y193-N201 HydrophobicContact CD2-CB 4.3Å |
| 194 | N | 90.2 | Very high | 88.6 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.043 | 26% | 0.255 | C | S | . | . | trans | -94.3 | 113.4 | 174.4 | -174.3 | -2.5 | 0 | 0 | 0 | 110 | Q192 E196 D197 Y229 I231 | Q192-N194 PolarHBondContact O-N 2.78Å; Q192-N194 VanDerWaalsContact O-N 3.15Å; N194-E196 PolarHBondContact O-N 2.87Å; N194-E196 WeakPolarHBondContact OD1-CB 3.32Å; N194-E196 PolarHBondContact OD1-N 3.47Å; N194-D197 HydrophobicContact CB-CB 4.42Å; N194-D197 CarbonylContact O-C 3.59Å; N194-D197 PolarHBondContact O-N 3.35Å; N194-Y229 PolarHBondContact ND2-O 3.48Å; N194-I231 HydrophobicContact CB-CD1 3.74Å; N194-I231 HydrophobicContact CB-CG1 4Å | ||
| 195 | P | 86.9 | Confident | 88.7 | Confident | 98 Ų | 98 | 51.4 Ų | 51.4 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -64.2 | -28.1 | 177.2 | -18.7 | 31.6 | 0 | 0 | 0 | 113.7 | Y193 D197 | Y193-P195 HydrophobicContact CD1-CG 4.31Å; Y193-P195 HydrophobicContact CE1-CB 4.27Å; Y193-P195 HydrophobicContact CE1-CG 4.19Å; Y193-P195 WeakPolarHBondContact O-CD 3.25Å; P195-D197 VanDerWaalsContact C-N 3.33Å |
| 196 | E | 84.6 | Confident | 88.9 | Confident | 180 Ų | 180 | 51.3 Ų | 51.3 | 84% | 0.841 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -77 | -24.7 | 178 | -60.1 | -174.5 | 168 | 0 | 0 | 111.8 | N194 | N194-E196 PolarHBondContact O-N 2.87Å; N194-E196 WeakPolarHBondContact OD1-CB 3.32Å; N194-E196 PolarHBondContact OD1-N 3.47Å |
| 197 | D | 88.2 | Confident | 88.8 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.011 | 27% | 0.265 | C | S | . | . | trans | -135 | 77 | 176.4 | -168.1 | -20.6 | 0 | 0 | 0 | 111.3 | N194 P195 T199 S200 K225 Y228 Y229 | N194-D197 HydrophobicContact CB-CB 4.42Å; N194-D197 CarbonylContact O-C 3.59Å; N194-D197 PolarHBondContact O-N 3.35Å; P195-D197 VanDerWaalsContact C-N 3.33Å; D197-T199 PolarHBondContact O-N 3.29Å; D197-T199 PolarHBondContact OD1-N 2.71Å; D197-T199 PolarHBondContact OD1-OG1 2.79Å; D197-S200 WeakPolarHBondContact O-CB 3.38Å; D197-S200 PolarHBondContact O-N 2.87Å; D197-S200 PolarHBondContact O-OG 3.12Å; D197-S200 PolarHBondContact OD1-N 2.73Å; D197-S200 VanDerWaalsContact OD1-N 3.13Å; D197-K225 IonicContact OD1-NZ 3.57Å; D197-K225 PolarHBondContact OD1-NZ 3.38Å; D197-K225 WeakPolarHBondContact OD2-CE 3.39Å; D197-K225 IonicContact OD2-NZ 3.61Å; D197-K225 PolarHBondContact OD2-NZ 2.87Å; D197-Y228 WeakPolarHBondContact OD2-CA 3.38Å; D197-Y229 PolarHBondContact OD2-N 3.2Å; D197-Y229 VanDerWaalsContact OD2-N 3.09Å | ||
| 198 | P | 86.1 | Confident | 88.7 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 42% | 0.422 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -24.5 | -176.8 | 24.6 | -33.3 | 0 | 0 | 0 | 113 | Y193 S200 | Y193-P198 HydrophobicContact CE2-CB 4.08Å; P198-S200 VanDerWaalsContact C-N 3.32Å; P198-S200 PolarHBondContact O-N 3.14Å |
| 199 | T | 86.4 | Confident | 88.6 | Confident | 62 Ų | 62 | 58.2 Ų | 58.2 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -28.5 | 178.5 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | D197 N201 D202 T203 K225 | D197-T199 PolarHBondContact O-N 3.29Å; D197-T199 PolarHBondContact OD1-N 2.71Å; D197-T199 PolarHBondContact OD1-OG1 2.79Å; T199-N201 VanDerWaalsContact C-N 3.34Å; T199-N201 PolarHBondContact O-N 2.73Å; T199-D202 WeakPolarHBondContact O-CB 3.18Å; T199-D202 PolarHBondContact O-N 3.05Å; T199-D202 VanDerWaalsContact O-N 3.08Å; T199-T203 PolarHBondContact O-N 3.39Å; T199-T203 PolarHBondContact O-OG1 3.42Å; T199-K225 PolarHBondContact OG1-NZ 3.24Å |
| 200 | S | 87.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.3 | -43.6 | -178.1 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | D197 P198 D202 T203 F204 | D197-S200 WeakPolarHBondContact O-CB 3.38Å; D197-S200 PolarHBondContact O-N 2.87Å; D197-S200 PolarHBondContact O-OG 3.12Å; D197-S200 PolarHBondContact OD1-N 2.73Å; D197-S200 VanDerWaalsContact OD1-N 3.13Å; P198-S200 VanDerWaalsContact C-N 3.32Å; P198-S200 PolarHBondContact O-N 3.14Å; S200-D202 PolarHBondContact O-N 3.24Å; S200-T203 PolarHBondContact O-N 3.17Å; S200-F204 WeakPolarHBondContact O-CD2 2.99Å; S200-F204 PolarHBondContact O-N 2.89Å |
| 201 | N | 85.7 | Confident | 87.9 | Confident | 58 Ų | 58 | 64 Ų | 64 | 31% | 0.31 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.2 | -26.5 | -179.9 | -176.6 | 46.2 | 0 | 0 | 0 | 113.3 | Y193 T199 | Y193-N201 HydrophobicContact CD2-CB 4.3Å; T199-N201 VanDerWaalsContact C-N 3.34Å; T199-N201 PolarHBondContact O-N 2.73Å |
| 202 | D | 85.8 | Confident | 87.7 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -88.7 | -28.7 | 179 | -98.3 | 15.3 | 0 | 0 | 0 | 112.2 | T199 S200 K218 | T199-D202 WeakPolarHBondContact O-CB 3.18Å; T199-D202 PolarHBondContact O-N 3.05Å; T199-D202 VanDerWaalsContact O-N 3.08Å; S200-D202 PolarHBondContact O-N 3.24Å; D202-K218 HydrophobicContact CB-CD 4.3Å; D202-K218 WeakPolarHBondContact O-CD 3.42Å; D202-K218 WeakPolarHBondContact O-CG 3.36Å; D202-K218 IonicContact OD2-NZ 3.54Å; D202-K218 PolarHBondContact OD2-NZ 3.13Å |
| 203 | T | 90 | Very high | 87.7 | Confident | 9 Ų | 9 | 61 Ų | 61 | 6% | 0.055 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -87.7 | -32 | -175.1 | -56.1 | 0 | 0 | 0 | 0 | 113 | T199 S200 L216 R217 K218 L220 Y228 | T199-T203 PolarHBondContact O-N 3.39Å; T199-T203 PolarHBondContact O-OG1 3.42Å; S200-T203 PolarHBondContact O-N 3.17Å; T203-L216 HydrophobicContact CG2-CD1 3.97Å; T203-R217 WeakPolarHBondContact O-CA 3.39Å; T203-R217 WeakPolarHBondContact O-CB 2.97Å; T203-R217 PolarHBondContact O-N 3.39Å; T203-K218 PolarHBondContact O-N 3.19Å; T203-L220 HydrophobicContact CG2-CD2 3.52Å; T203-Y228 HydrophobicContact CG2-CE1 4.27Å |
| 204 | F | 93.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 152.2 | -177.9 | -55.2 | -73.6 | 0 | 0 | 0 | 112.2 | I166 I191 S200 V214 V215 L216 L220 Y228 V230 V253 | I166-F204 HydrophobicContact CD1-CD1 3.47Å; I166-F204 VanDerWaalsContact CD1-CD1 3.47Å; I166-F204 HydrophobicContact CD1-CE1 3.39Å; I166-F204 HydrophobicContact CD1-CZ 4.4Å; I166-F204 HydrophobicContact CG1-CD1 4.42Å; I191-F204 HydrophobicContact CD1-CB 3.89Å; I191-F204 WeakPolarHBondContact CD1-O 3.14Å; S200-F204 WeakPolarHBondContact O-CD2 2.99Å; S200-F204 PolarHBondContact O-N 2.89Å; F204-V214 HydrophobicContact CB-CG1 3.94Å; F204-V214 HydrophobicContact CD1-CG1 4.33Å; F204-V214 HydrophobicContact CG-CG1 4.4Å; F204-V215 WeakPolarHBondContact CA-O 3.14Å; F204-L216 HydrophobicContact CD1-CD1 4.13Å; F204-L216 HydrophobicContact CE1-CD1 3.75Å; F204-L220 HydrophobicContact CZ-CD2 4.46Å; F204-Y228 AromaticContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD2 4.02Å; F204-Y228 AromaticContact CE2-CG 3.55Å; F204-Y228 HydrophobicContact CE2-CG 3.55Å; F204-Y228 HydrophobicContact CZ-CD2 4Å; F204-Y228 HydrophobicContact CZ-CG 4.02Å; F204-V230 HydrophobicContact CD2-CG2 3.43Å; F204-V230 VanDerWaalsContact CD2-CG2 3.43Å; F204-V230 HydrophobicContact CE2-CG2 3.84Å; F204-V230 HydrophobicContact CG-CG2 4.11Å; F204-V253 HydrophobicContact CE1-CG1 4.22Å; F204-V253 HydrophobicContact CZ-CB 4.13Å; F204-V253 HydrophobicContact CZ-CG1 3.92Å; F204-V253 HydrophobicContact CZ-CG2 4.34Å |
| 205 | E | 90.7 | Very high | 87.7 | Confident | 87 Ų | 87 | 55.7 Ų | 55.7 | 41% | 0.407 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 147 | 179.4 | -173.9 | 173.7 | 171.1 | 0 | 0 | 111 | P207 V215 R217 | E205-P207 WeakPolarHBondContact O-CD 3.47Å; E205-V215 PolarHBondContact N-O 3.12Å; E205-V215 PolarHBondContact O-N 2.77Å; E205-R217 HydrophobicContact CB-CB 4.27Å; E205-R217 WeakPolarHBondContact OE2-CD 3.2Å; E205-R217 IonicContact OE2-NE 3.83Å |
| 206 | I | 90.2 | Very high | 88 | Confident | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.087 | 27% | 0.274 | C | S | . | . | trans | -109.3 | 94.4 | 166.9 | -61.3 | 170.7 | 0 | 0 | 0 | 107.6 | I191 L208 V214 I232 | I191-I206 HydrophobicContact CD1-CG1 4.08Å; I191-I206 HydrophobicContact CG1-CD1 3.75Å; I191-I206 HydrophobicContact CG1-CG1 3.84Å; I206-L208 VanDerWaalsContact C-N 3.33Å; I206-L208 PolarHBondContact O-N 3.17Å; I206-V214 HydrophobicContact CD1-CG2 4.38Å; I206-V214 HydrophobicContact CG1-CG2 4.05Å; I206-I232 HydrophobicContact CD1-CD1 3.95Å; I206-I232 HydrophobicContact CD1-CG2 4.45Å | ||
| 207 | P | 86.2 | Confident | 88.2 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 47% | 0.474 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -70.5 | -29.5 | -176.5 | 25.1 | -32.9 | 0 | 0 | 0 | 112.9 | E205 V215 | E205-P207 WeakPolarHBondContact O-CD 3.47Å; P207-V215 HydrophobicContact CG-CB 4.4Å; P207-V215 HydrophobicContact CG-CG2 3.76Å |
| 208 | L | 87.7 | Confident | 88.3 | Confident | 112 Ų | 112 | 53 Ų | 53 | 59% | 0.586 | 28% | 0.276 | S | S | * | . | trans | -117.2 | 96.9 | 179.3 | -68.1 | 174.4 | 0 | 0 | 0 | 110.2 | I206 L210 T211 G212 | I206-L208 VanDerWaalsContact C-N 3.33Å; I206-L208 PolarHBondContact O-N 3.17Å; L208-L210 PolarHBondContact O-N 2.76Å; L208-L210 VanDerWaalsContact O-N 3.1Å; L208-T211 WeakPolarHBondContact CB-OG1 3.45Å; L208-T211 PolarHBondContact O-N 2.97Å; L208-T211 VanDerWaalsContact O-N 3.13Å; L208-T211 PolarHBondContact O-OG1 3Å; L208-G212 PolarHBondContact O-N 3.35Å | ||
| 209 | M | 87.2 | Confident | 88.4 | Confident | 101 Ų | 101 | 58.1 Ų | 58.1 | 50% | 0.498 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.9 | -174.6 | -60.6 | 174.7 | -176 | 0 | 0 | 113.8 | E188 Y189 V190 | E188-M209 HydrophobicContact CB-CB 4.25Å; Y189-M209 WeakPolarHBondContact CD2-O 2.89Å; Y189-M209 PolarHBondContact N-O 2.93Å; V190-M209 HydrophobicContact CG1-CE 4.43Å; V190-M209 HydrophobicContact CG1-CG 4.37Å; V190-M209 HydrophobicContact CG1-SD 4.27Å |
| 210 | L | 85.4 | Confident | 88.6 | Confident | 115 Ų | 115 | 55.5 Ų | 55.5 | 60% | 0.602 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -24.9 | -179.3 | -68.9 | 169.1 | 0 | 0 | 0 | 113.7 | L208 | L208-L210 PolarHBondContact O-N 2.76Å; L208-L210 VanDerWaalsContact O-N 3.1Å |
| 211 | T | 84.3 | Confident | 88.6 | Confident | 56 Ų | 56 | 58 Ų | 58 | 34% | 0.344 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -24.2 | 179.8 | 63.6 | 0 | 0 | 0 | 0 | 112.2 | L208 N213 | L208-T211 WeakPolarHBondContact CB-OG1 3.45Å; L208-T211 PolarHBondContact O-N 2.97Å; L208-T211 VanDerWaalsContact O-N 3.13Å; L208-T211 PolarHBondContact O-OG1 3Å; T211-N213 PolarHBondContact O-N 3.1Å; T211-N213 PolarHBondContact OG1-ND2 2.9Å |
| 212 | G | 85 | Confident | 88.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | 71.5 | 10.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F170 L208 V214 | F170-G212 VanDerWaalsContact CD2-O 3.28Å; F170-G212 WeakPolarHBondContact CD2-O 3.33Å; L208-G212 PolarHBondContact O-N 3.35Å; G212-V214 PolarHBondContact O-N 2.92Å | ||
| 213 | N | 89.9 | Confident | 88.8 | Confident | 41 Ų | 41 | 54 Ų | 54 | 22% | 0.219 | 26% | 0.26 | C | S | . | . | trans | -64.8 | 122.5 | -178.6 | -67.9 | -16.9 | 0 | 0 | 0 | 110.7 | T165 F167 T211 | T165-N213 HydrophobicContact CG2-CB 3.96Å; F167-N213 WeakPolarHBondContact O-CA 3.44Å; T211-N213 PolarHBondContact O-N 3.1Å; T211-N213 PolarHBondContact OG1-ND2 2.9Å | ||
| 214 | V | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 127.7 | 179.3 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | T165 I166 F167 F170 F204 I206 G212 I232 L251 | T165-V214 CarbonylContact C-O 3.56Å; I166-V214 HydrophobicContact CD1-CG1 4.01Å; I166-V214 HydrophobicContact CG1-CB 4.15Å; I166-V214 HydrophobicContact CG1-CG1 4.02Å; I166-V214 VanDerWaalsContact CG1-O 3.3Å; I166-V214 WeakPolarHBondContact CG1-O 3.26Å; I166-V214 PolarHBondContact N-O 2.98Å; F167-V214 HydrophobicContact CB-CB 4.12Å; F167-V214 HydrophobicContact CB-CG2 4.33Å; F167-V214 HydrophobicContact CD1-CG2 4.28Å; F167-V214 PolarHBondContact N-O 3.01Å; F167-V214 PolarHBondContact O-N 2.79Å; F170-V214 HydrophobicContact CE2-CG2 4.3Å; F204-V214 HydrophobicContact CB-CG1 3.94Å; F204-V214 HydrophobicContact CD1-CG1 4.33Å; F204-V214 HydrophobicContact CG-CG1 4.4Å; I206-V214 HydrophobicContact CD1-CG2 4.38Å; I206-V214 HydrophobicContact CG1-CG2 4.05Å; G212-V214 PolarHBondContact O-N 2.92Å; V214-I232 HydrophobicContact CG2-CD1 4.2Å; V214-L251 HydrophobicContact CB-CD2 4.41Å; V214-L251 HydrophobicContact CG1-CD2 4.45Å; V214-L251 HydrophobicContact CG2-CD2 3.87Å |
| 215 | V | 91.1 | Very high | 88.3 | Confident | 21 Ų | 21 | 61.1 Ų | 61.1 | 13% | 0.127 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 143.5 | -175.2 | -180 | 0 | 0 | 0 | 0 | 109.9 | G163 T164 F204 E205 P207 R217 | G163-V215 VanDerWaalsContact C-CG1 3.45Å; G163-V215 WeakPolarHBondContact O-CG1 3.49Å; T164-V215 WeakPolarHBondContact O-CA 3.47Å; F204-V215 WeakPolarHBondContact CA-O 3.14Å; E205-V215 PolarHBondContact N-O 3.12Å; E205-V215 PolarHBondContact O-N 2.77Å; P207-V215 HydrophobicContact CG-CB 4.4Å; P207-V215 HydrophobicContact CG-CG2 3.76Å; V215-R217 PolarHBondContact O-N 3.34Å |
| 216 | L | 93.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 122.2 | 175.2 | -172.7 | 66.7 | 0 | 0 | 0 | 110.8 | T160 V162 G163 T164 I166 T203 F204 K218 L220 | T160-L216 HydrophobicContact CG2-CD2 4.4Å; T160-L216 WeakPolarHBondContact O-CD2 3.25Å; V162-L216 WeakPolarHBondContact CG1-O 3.28Å; G163-L216 PolarHBondContact N-O 2.88Å; T164-L216 PolarHBondContact O-N 2.88Å; I166-L216 HydrophobicContact CG2-CB 4.2Å; T203-L216 HydrophobicContact CG2-CD1 3.97Å; F204-L216 HydrophobicContact CD1-CD1 4.13Å; F204-L216 HydrophobicContact CE1-CD1 3.75Å; L216-K218 WeakPolarHBondContact CD1-O 3.48Å; L216-K218 WeakPolarHBondContact CG-O 3.16Å; L216-L220 HydrophobicContact CD1-CD1 3.99Å; L216-L220 HydrophobicContact CD1-CD2 3.83Å; L216-L220 HydrophobicContact CD1-CG 3.77Å; L216-L220 HydrophobicContact CD2-CD1 4.25Å; L216-L220 HydrophobicContact CD2-CG 4.17Å |
| 217 | R | 89 | Confident | 88.2 | Confident | 128 Ų | 128 | 64.5 Ų | 64.5 | 48% | 0.483 | 31% | 0.31 | S | S | . | . | trans | -102 | -29.9 | -177.8 | -171.7 | -178.1 | -177.8 | -159.6 | 0.1 | 113.6 | V162 T203 E205 V215 | V162-R217 WeakPolarHBondContact CG1-O 3.33Å; T203-R217 WeakPolarHBondContact O-CA 3.39Å; T203-R217 WeakPolarHBondContact O-CB 2.97Å; T203-R217 PolarHBondContact O-N 3.39Å; E205-R217 HydrophobicContact CB-CB 4.27Å; E205-R217 WeakPolarHBondContact OE2-CD 3.2Å; E205-R217 IonicContact OE2-NE 3.83Å; V215-R217 PolarHBondContact O-N 3.34Å | ||
| 218 | K | 89.4 | Confident | 88.6 | Confident | 95 Ų | 95 | 61.8 Ų | 61.8 | 41% | 0.413 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -125.2 | 151.6 | 174.9 | -71.1 | -178.8 | -178.2 | 178.8 | 0 | 110.3 | D202 T203 L216 | D202-K218 HydrophobicContact CB-CD 4.3Å; D202-K218 WeakPolarHBondContact O-CD 3.42Å; D202-K218 WeakPolarHBondContact O-CG 3.36Å; D202-K218 IonicContact OD2-NZ 3.54Å; D202-K218 PolarHBondContact OD2-NZ 3.13Å; T203-K218 PolarHBondContact O-N 3.19Å; L216-K218 WeakPolarHBondContact CD1-O 3.48Å; L216-K218 WeakPolarHBondContact CG-O 3.16Å |
| 219 | R | 87.7 | Confident | 88.8 | Confident | 173 Ų | 173 | 61 Ų | 61 | 65% | 0.653 | 28% | 0.281 | S | S | * | . | trans | -65.6 | 140.5 | 176.7 | -166.6 | 167.1 | 179.6 | 146.6 | -2.3 | 109.5 | V162 | V162-R219 HydrophobicContact CG2-CB 4.15Š| ||
| 220 | L | 90.4 | Very high | 89 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | trans | -87.2 | 156 | 177.5 | -59.8 | 173.4 | 0 | 0 | 0 | 109.5 | V156 E158 T203 F204 L216 Y228 V255 | V156-L220 HydrophobicContact CB-CD1 4.31Å; V156-L220 HydrophobicContact CG1-CD1 3.42Å; V156-L220 VanDerWaalsContact CG1-CD1 3.42Å; V156-L220 HydrophobicContact CG2-CD1 3.91Å; E158-L220 HydrophobicContact CB-CB 4.04Å; T203-L220 HydrophobicContact CG2-CD2 3.52Å; F204-L220 HydrophobicContact CZ-CD2 4.46Å; L216-L220 HydrophobicContact CD1-CD1 3.99Å; L216-L220 HydrophobicContact CD1-CD2 3.83Å; L216-L220 HydrophobicContact CD1-CG 3.77Å; L216-L220 HydrophobicContact CD2-CD1 4.25Å; L216-L220 HydrophobicContact CD2-CG 4.17Å; L220-Y228 HydrophobicContact CD2-CE2 3.78Å; L220-V255 HydrophobicContact CB-CG1 4.26Å; L220-V255 HydrophobicContact CD1-CG1 4.3Å; L220-V255 HydrophobicContact CD1-CG2 4.24Å; L220-V255 HydrophobicContact CD2-CG2 4.47Å | ||
| 221 | N | 87.7 | Confident | 89.3 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | trans | -146.1 | 109.3 | 173.9 | 179.7 | 1.1 | 0 | 0 | 0 | 106.6 | E158 E223 D224 K225 | E158-N221 WeakPolarHBondContact OE2-CA 3.35Å; N221-E223 VanDerWaalsContact C-N 3.29Å; N221-E223 PolarHBondContact O-N 3.37Å; N221-E223 PolarHBondContact OD1-N 3.26Å; N221-E223 PolarHBondContact OD1-OE2 2.87Å; N221-D224 HydrophobicContact CB-CB 4.28Å; N221-D224 PolarHBondContact ND2-OD2 3.11Å; N221-D224 PolarHBondContact O-N 2.75Å; N221-K225 PolarHBondContact O-N 3.24Å; N221-K225 VanDerWaalsContact O-N 3.11Å | ||
| 222 | Y | 90.2 | Very high | 89.7 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 11% | 0.114 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -37.6 | -175.4 | -178.5 | -91.8 | 0 | 0 | 0 | 111 | E158 D224 K225 T226 V255 D257 R311 N312 | E158-Y222 WeakPolarHBondContact OE1-CB 3.14Å; E158-Y222 WeakPolarHBondContact OE2-CB 3.22Å; E158-Y222 PolarHBondContact OE2-N 2.8Å; Y222-D224 PolarHBondContact O-N 3.03Å; Y222-D224 VanDerWaalsContact O-N 3.17Å; Y222-K225 PolarHBondContact O-N 2.64Å; Y222-T226 HydrophobicContact CD1-CG2 4.17Å; Y222-T226 HydrophobicContact CD2-CG2 3.81Å; Y222-T226 HydrophobicContact CE1-CG2 3.88Å; Y222-T226 HydrophobicContact CE2-CG2 3.49Å; Y222-T226 VanDerWaalsContact CE2-CG2 3.49Å; Y222-T226 HydrophobicContact CG-CG2 4.12Å; Y222-T226 WeakPolarHBondContact O-CG2 3.05Å; Y222-V255 HydrophobicContact CD2-CB 4.13Å; Y222-V255 HydrophobicContact CD2-CG1 4.12Å; Y222-V255 VanDerWaalsContact CD2-O 3.29Å; Y222-V255 WeakPolarHBondContact CD2-O 3.16Å; Y222-V255 WeakPolarHBondContact CE2-O 3.27Å; Y222-D257 HydrophobicContact CD1-CB 3.59Å; Y222-D257 WeakPolarHBondContact CD1-OD2 3.33Å; Y222-D257 HydrophobicContact CD2-CB 3.84Å; Y222-D257 HydrophobicContact CE1-CB 3.74Å; Y222-D257 WeakPolarHBondContact CE1-OD2 3.41Å; Y222-D257 HydrophobicContact CE2-CB 3.98Å; Y222-D257 HydrophobicContact CG-CB 3.65Å; Y222-R311 HydrophobicContact CE1-CB 4.14Å; Y222-N312 HydrophobicContact CE1-CB 4.08Å; Y222-N312 WeakPolarHBondContact OH-CB 3.39Å; Y222-N312 PolarHBondContact OH-ND2 3Å |
| 223 | E | 86.4 | Confident | 90 | Very high | 15 Ų | 15 | 51.4 Ų | 51.4 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.1 | -179.5 | -79.5 | 50.5 | -109.6 | 0 | 0 | 112.6 | N221 L261 R311 | N221-E223 VanDerWaalsContact C-N 3.29Å; N221-E223 PolarHBondContact O-N 3.37Å; N221-E223 PolarHBondContact OD1-N 3.26Å; N221-E223 PolarHBondContact OD1-OE2 2.87Å; E223-L261 HydrophobicContact CG-CD1 3.91Å; E223-R311 PolarHBondContact O-NH1 3.33Å |
| 224 | D | 84 | Confident | 90.1 | Very high | 101 Ų | 101 | 49.5 Ų | 49.5 | 54% | 0.54 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -44.8 | 178.3 | -71.3 | -19.6 | 0 | 0 | 0 | 112.1 | N221 Y222 R275 | N221-D224 HydrophobicContact CB-CB 4.28Å; N221-D224 PolarHBondContact ND2-OD2 3.11Å; N221-D224 PolarHBondContact O-N 2.75Å; Y222-D224 PolarHBondContact O-N 3.03Å; Y222-D224 VanDerWaalsContact O-N 3.17Å; D224-R275 IonicContact OD1-CZ 3.24Å; D224-R275 VanDerWaalsContact OD1-CZ 3.31Å; D224-R275 IonicContact OD1-NH1 3.57Å; D224-R275 PolarHBondContact OD1-NH1 3.02Å; D224-R275 IonicContact OD1-NH2 3.87Å; D224-R275 PolarHBondContact OD1-NH2 2.94Å |
| 225 | K | 87 | Confident | 90.1 | Very high | 61 Ų | 61 | 50 Ų | 50 | 27% | 0.265 | 22% | 0.221 | S | C | . | . | trans | -157.2 | 122 | -178.9 | -173.7 | 162 | 176.4 | 166.6 | 0 | 113.5 | D197 T199 N221 Y222 R227 Y228 | D197-K225 IonicContact OD1-NZ 3.57Å; D197-K225 PolarHBondContact OD1-NZ 3.38Å; D197-K225 WeakPolarHBondContact OD2-CE 3.39Å; D197-K225 IonicContact OD2-NZ 3.61Å; D197-K225 PolarHBondContact OD2-NZ 2.87Å; T199-K225 PolarHBondContact OG1-NZ 3.24Å; N221-K225 PolarHBondContact O-N 3.24Å; N221-K225 VanDerWaalsContact O-N 3.11Å; Y222-K225 PolarHBondContact O-N 2.64Å; K225-R227 WeakPolarHBondContact CE-O 3.37Å; K225-Y228 HydrophobicContact CD-CD1 4.25Å; K225-Y228 HydrophobicContact CD-CE1 3.8Å; K225-Y228 HydrophobicContact CG-CE1 4.34Å; K225-Y228 HydrophobicContact CG-CE2 4.25Å | ||
| 226 | T | 88.5 | Confident | 90.1 | Very high | 66 Ų | 66 | 49 Ų | 49 | 41% | 0.405 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -94.6 | -13.4 | -172.8 | 60.5 | 0 | 0 | 0 | 0 | 115.2 | Y222 V255 | Y222-T226 HydrophobicContact CD1-CG2 4.17Å; Y222-T226 HydrophobicContact CD2-CG2 3.81Å; Y222-T226 HydrophobicContact CE1-CG2 3.88Å; Y222-T226 HydrophobicContact CE2-CG2 3.49Å; Y222-T226 VanDerWaalsContact CE2-CG2 3.49Å; Y222-T226 HydrophobicContact CG-CG2 4.12Å; Y222-T226 WeakPolarHBondContact O-CG2 3.05Å; T226-V255 PolarHBondContact O-N 2.9Å |
| 227 | R | 91.5 | Very high | 89.8 | Confident | 108 Ų | 108 | 53.5 Ų | 53.5 | 41% | 0.408 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 139.2 | -176.1 | 178.7 | 172.4 | -70 | 164.3 | -3.2 | 111.9 | K225 Y229 T252 V253 D254 | K225-R227 WeakPolarHBondContact CE-O 3.37Å; R227-Y229 VanDerWaalsContact CD-CZ 3.46Å; R227-Y229 WeakPolarHBondContact CD-OH 3.23Å; R227-Y229 HydrophobicContact CG-CE1 4.38Å; R227-Y229 HydrophobicContact CG-CE2 4.12Å; R227-T252 HydrophobicContact CG-CG2 4.02Å; R227-V253 WeakPolarHBondContact CA-O 3.23Å; R227-D254 WeakPolarHBondContact CG-OD1 3.43Å; R227-D254 IonicContact CZ-OD1 2.82Å; R227-D254 IonicContact CZ-OD2 3.19Å; R227-D254 IonicContact NE-OD1 2.99Å; R227-D254 PolarHBondContact NE-OD1 3.49Å; R227-D254 IonicContact NE-OD2 2.76Å; R227-D254 IonicContact NH2-OD1 3.89Å; R227-D254 PolarHBondContact NH2-OD1 3.35Å; R227-D254 IonicContact NH2-OD2 3.87Å; R227-D254 PolarHBondContact NH2-OD2 3.38Å |
| 228 | Y | 93.2 | Very high | 89.7 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 141.7 | 175.9 | -66.1 | -93.4 | 0 | 0 | 0 | 112 | D197 T203 F204 L220 K225 T252 V253 V255 | D197-Y228 WeakPolarHBondContact OD2-CA 3.38Å; T203-Y228 HydrophobicContact CG2-CE1 4.27Å; F204-Y228 AromaticContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD1 3.87Å; F204-Y228 HydrophobicContact CE2-CD2 4.02Å; F204-Y228 AromaticContact CE2-CG 3.55Å; F204-Y228 HydrophobicContact CE2-CG 3.55Å; F204-Y228 HydrophobicContact CZ-CD2 4Å; F204-Y228 HydrophobicContact CZ-CG 4.02Å; L220-Y228 HydrophobicContact CD2-CE2 3.78Å; K225-Y228 HydrophobicContact CD-CD1 4.25Å; K225-Y228 HydrophobicContact CD-CE1 3.8Å; K225-Y228 HydrophobicContact CG-CE1 4.34Å; K225-Y228 HydrophobicContact CG-CE2 4.25Å; Y228-T252 WeakPolarHBondContact O-CA 3.28Å; Y228-V253 PolarHBondContact N-O 3.17Å; Y228-V253 PolarHBondContact O-N 3.29Å; Y228-V255 HydrophobicContact CD2-CG2 3.95Å; Y228-V255 HydrophobicContact CE2-CG2 3.71Å |
| 229 | Y | 92.5 | Very high | 89.3 | Confident | 96 Ų | 96 | 51.3 Ų | 51.3 | 38% | 0.376 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 95.5 | 175.8 | -61.6 | -76.8 | 0 | 0 | 0 | 110.4 | N194 D197 R227 T250 T252 | N194-Y229 PolarHBondContact ND2-O 3.48Å; D197-Y229 PolarHBondContact OD2-N 3.2Å; D197-Y229 VanDerWaalsContact OD2-N 3.09Å; R227-Y229 VanDerWaalsContact CD-CZ 3.46Å; R227-Y229 WeakPolarHBondContact CD-OH 3.23Å; R227-Y229 HydrophobicContact CG-CE1 4.38Å; R227-Y229 HydrophobicContact CG-CE2 4.12Å; Y229-T250 HydrophobicContact CD1-CG2 4.29Å; Y229-T252 HydrophobicContact CD1-CG2 4.22Å; Y229-T252 HydrophobicContact CE1-CG2 3.96Å |
| 230 | V | 92.2 | Very high | 89 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.6 | -177.6 | -169.8 | 0 | 0 | 0 | 0 | 108.9 | I191 F204 I232 L251 V253 | I191-V230 HydrophobicContact CD1-CG1 4.04Å; I191-V230 HydrophobicContact CG1-CG1 4.05Å; I191-V230 HydrophobicContact CG2-CG1 3.75Å; F204-V230 HydrophobicContact CD2-CG2 3.43Å; F204-V230 VanDerWaalsContact CD2-CG2 3.43Å; F204-V230 HydrophobicContact CE2-CG2 3.84Å; F204-V230 HydrophobicContact CG-CG2 4.11Å; V230-I232 HydrophobicContact CG1-CD1 3.74Å; V230-I232 PolarHBondContact O-N 3.05Å; V230-L251 HydrophobicContact CB-CB 4.29Å; V230-L251 PolarHBondContact N-O 3.46Å; V230-L251 PolarHBondContact O-N 3.06Å; V230-V253 HydrophobicContact CG2-CG2 4.26Å |
| 231 | I | 91.7 | Very high | 88.4 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 116.6 | 174.7 | -59.2 | 175.9 | 0 | 0 | 0 | 108 | Q192 N194 T248 | Q192-I231 HydrophobicContact CB-CB 4.17Å; Q192-I231 HydrophobicContact CB-CG2 3.92Å; Q192-I231 PolarHBondContact N-O 3.05Å; N194-I231 HydrophobicContact CB-CD1 3.74Å; N194-I231 HydrophobicContact CB-CG1 4Å; I231-T248 HydrophobicContact CG2-CG2 4.21Å |
| 232 | I | 91.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 121.1 | 177.7 | -52.8 | -68.6 | 0 | 0 | 0 | 107.7 | F147 F170 Y189 I191 I206 V214 V230 T248 T249 L251 | F147-I232 HydrophobicContact CZ-CG2 4.21Å; F170-I232 HydrophobicContact CE2-CB 4.46Å; F170-I232 HydrophobicContact CE2-CD1 4.4Å; F170-I232 HydrophobicContact CE2-CG1 4.11Å; F170-I232 HydrophobicContact CE2-CG2 3.85Å; F170-I232 HydrophobicContact CZ-CB 4.17Å; F170-I232 HydrophobicContact CZ-CG1 3.91Å; F170-I232 HydrophobicContact CZ-CG2 3.89Å; Y189-I232 HydrophobicContact CD1-CG2 4.09Å; I191-I232 HydrophobicContact CG1-CD1 4.06Å; I206-I232 HydrophobicContact CD1-CD1 3.95Å; I206-I232 HydrophobicContact CD1-CG2 4.45Å; V214-I232 HydrophobicContact CG2-CD1 4.2Å; V230-I232 HydrophobicContact CG1-CD1 3.74Å; V230-I232 PolarHBondContact O-N 3.05Å; I232-T248 CarbonylContact O-C 3.57Å; I232-T248 VanDerWaalsContact O-CA 3.27Å; I232-T248 WeakPolarHBondContact O-CA 3.14Å; I232-T249 HydrophobicContact CB-CG2 4.07Å; I232-T249 PolarHBondContact N-O 3.34Å; I232-T249 PolarHBondContact O-N 2.86Å; I232-L251 HydrophobicContact CG1-CB 3.94Å |
| 233 | Q | 91.8 | Very high | 87.8 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 19% | 0.187 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.6 | 177.7 | -176.2 | -176 | -26.3 | 0 | 0 | 108.9 | Y189 V190 Q192 N235 T247 T248 | Y189-Q233 WeakPolarHBondContact CA-O 3.45Å; V190-Q233 HydrophobicContact CG2-CB 3.95Å; V190-Q233 HydrophobicContact CG2-CG 4.37Å; V190-Q233 PolarHBondContact N-O 3.46Å; V190-Q233 PolarHBondContact O-N 3.42Å; Q192-Q233 HydrophobicContact CB-CB 4.28Å; Q233-N235 VanDerWaalsContact CG-OD1 3.29Å; Q233-N235 WeakPolarHBondContact CG-OD1 3.35Å; Q233-N235 PolarHBondContact NE2-OD1 3.48Å; Q233-T247 CarbonylContact C-O 3.57Å; Q233-T247 WeakPolarHBondContact CA-O 3.38Å; Q233-T248 HydrophobicContact CB-CG2 4.07Å; Q233-T248 HydrophobicContact CG-CG2 4.02Å |
| 234 | A | 91.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | P145 F147 A176 I187 E188 Y189 T246 T247 | P145-A234 HydrophobicContact CB-CB 4.28Å; F147-A234 HydrophobicContact CE1-CB 4.48Å; F147-A234 HydrophobicContact CE2-CB 3.63Å; F147-A234 HydrophobicContact CZ-CB 3.55Å; A176-A234 HydrophobicContact CB-CB 3.77Å; I187-A234 HydrophobicContact CG2-CB 3.76Å; E188-A234 WeakPolarHBondContact O-CA 3.34Å; Y189-A234 HydrophobicContact CD1-CB 4.09Å; Y189-A234 HydrophobicContact CE1-CB 3.98Å; A234-T246 CarbonylContact O-C 3.49Å; A234-T246 VanDerWaalsContact O-CA 3.24Å; A234-T246 WeakPolarHBondContact O-CA 3.37Å; A234-T247 PolarHBondContact N-O 2.81Å; A234-T247 PolarHBondContact O-N 2.92Å |
| 235 | N | 90.8 | Very high | 88 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 6% | 0.064 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 142.8 | 173.5 | -41.7 | -47.8 | 0 | 0 | 0 | 109.2 | I187 E188 Q233 T246 | I187-N235 CarbonylContact C-O 3.59Å; I187-N235 WeakPolarHBondContact CA-O 3.41Å; E188-N235 HydrophobicContact CG-CB 3.68Å; E188-N235 WeakPolarHBondContact CG-O 3.38Å; E188-N235 PolarHBondContact N-O 2.79Å; E188-N235 PolarHBondContact O-N 3.42Å; E188-N235 PolarHBondContact OE1-ND2 3.33Å; Q233-N235 VanDerWaalsContact CG-OD1 3.29Å; Q233-N235 WeakPolarHBondContact CG-OD1 3.35Å; Q233-N235 PolarHBondContact NE2-OD1 3.48Å; N235-T246 HydrophobicContact CB-CG2 3.99Å; N235-T246 WeakPolarHBondContact OD1-CB 3.41Å; N235-T246 WeakPolarHBondContact OD1-CG2 3.36Å |
| 236 | D | 90.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 170.7 | 160.6 | 66.6 | 50 | 0 | 0 | 0 | 111.3 | N141 P145 N184 Q186 A238 R244 R245 | N141-D236 PolarHBondContact ND2-OD2 2.94Å; N141-D236 PolarHBondContact OD1-OD2 2.93Å; P145-D236 HydrophobicContact CG-CB 4.18Å; N184-D236 WeakPolarHBondContact O-CB 3.13Å; Q186-D236 CarbonylContact O-C 3.5Å; Q186-D236 WeakPolarHBondContact O-CA 3.2Å; D236-A238 VanDerWaalsContact OD1-CB 3.28Å; D236-A238 WeakPolarHBondContact OD1-CB 3.26Å; D236-A238 PolarHBondContact OD1-N 2.8Å; D236-R244 VanDerWaalsContact OD1-CA 3.25Å; D236-R244 WeakPolarHBondContact OD1-CA 3.47Å; D236-R244 WeakPolarHBondContact OD1-CB 3.37Å; D236-R244 WeakPolarHBondContact OD1-CG 3.17Å; D236-R245 PolarHBondContact N-O 3.31Å; D236-R245 VanDerWaalsContact N-O 3.11Å; D236-R245 WeakPolarHBondContact OD2-CA 3.09Å; D236-R245 VanDerWaalsContact OD2-CB 3.25Å; D236-R245 WeakPolarHBondContact OD2-CB 3.28Å; D236-R245 PolarHBondContact OD2-N 2.75Å |
| 237 | R | 88.3 | Confident | 88.4 | Confident | 94 Ų | 94 | 63.5 Ų | 63.5 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | trans | -109.8 | 38.1 | 176.4 | -63.9 | 177.1 | 73.1 | -161.2 | 5.2 | 112 | P183 Q186 E188 Q239 | P183-R237 WeakPolarHBondContact CB-O 3.25Å; P183-R237 CarbonylContact O-C 3.6Å; P183-R237 VanDerWaalsContact O-C 3.23Å; P183-R237 VanDerWaalsContact O-CA 3.3Å; P183-R237 WeakPolarHBondContact O-CA 3.34Å; P183-R237 VanDerWaalsContact O-CB 3.28Å; P183-R237 WeakPolarHBondContact O-CB 3.34Å; P183-R237 PolarHBondContact O-N 2.78Å; P183-R237 VanDerWaalsContact O-N 3.14Å; Q186-R237 HydrophobicContact CB-CB 4.35Å; Q186-R237 HydrophobicContact CB-CG 4.37Å; Q186-R237 WeakPolarHBondContact O-CG 3.01Å; Q186-R237 PolarHBondContact O-N 2.91Å; E188-R237 HydrophobicContact CB-CG 4.49Å; E188-R237 HydrophobicContact CG-CG 4.3Å; R237-Q239 PolarHBondContact O-N 3.03Å | ||
| 238 | A | 85.5 | Confident | 88.4 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | trans | -49.5 | 138.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | N141 D236 N240 E243 R244 | N141-A238 HydrophobicContact CB-CB 4.32Å; D236-A238 VanDerWaalsContact OD1-CB 3.28Å; D236-A238 WeakPolarHBondContact OD1-CB 3.26Å; D236-A238 PolarHBondContact OD1-N 2.8Å; A238-N240 VanDerWaalsContact C-N 3.3Å; A238-N240 PolarHBondContact O-N 2.92Å; A238-E243 HydrophobicContact CB-CB 4.49Å; A238-R244 HydrophobicContact CB-CG 3.91Å; A238-R244 PolarHBondContact O-NE 2.81Å | ||
| 239 | Q | 81.4 | Confident | 88.3 | Confident | 177 Ų | 177 | 61.5 Ų | 61.5 | 83% | 0.827 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -62.2 | -38.5 | -172.3 | -72.7 | -172.9 | -14.5 | 0 | 0 | 112.3 | R237 | R237-Q239 PolarHBondContact O-N 3.03Š|
| 240 | N | 81.7 | Confident | 88.2 | Confident | 92 Ų | 92 | 59.5 Ų | 59.5 | 49% | 0.492 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -89.1 | 121.2 | 173 | -68.5 | -41.7 | 0 | 0 | 0 | 109.4 | A238 N242 E243 R244 | A238-N240 VanDerWaalsContact C-N 3.3Å; A238-N240 PolarHBondContact O-N 2.92Å; N240-N242 PolarHBondContact O-N 3.03Å; N240-E243 HydrophobicContact CB-CB 4.24Å; N240-E243 HydrophobicContact CB-CG 4.11Å; N240-E243 WeakPolarHBondContact CB-OE2 3.47Å; N240-E243 PolarHBondContact ND2-OE2 2.77Å; N240-E243 PolarHBondContact O-N 3.22Å; N240-R244 PolarHBondContact O-N 3.07Å |
| 241 | L | 79 | Confident | 88.2 | Confident | 128 Ų | 128 | 59.5 Ų | 59.5 | 67% | 0.67 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -30 | 177.3 | -75.2 | 162.8 | 0 | 0 | 0 | 113.4 | E243 | L241-E243 VanDerWaalsContact C-N 3.31Š|
| 242 | N | 80.6 | Confident | 88.3 | Confident | 160 Ų | 160 | 59.2 Ų | 59.2 | 86% | 0.856 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -20.3 | -177 | -43.1 | -11.8 | 0 | 0 | 0 | 112.8 | N240 | N240-N242 PolarHBondContact O-N 3.03Š|
| 243 | E | 82.8 | Confident | 88.3 | Confident | 112 Ų | 112 | 59.2 Ų | 59.2 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -7.8 | 180 | -67.7 | 173.9 | 165.1 | 0 | 0 | 111.3 | N141 A238 N240 L241 R245 | N141-E243 PolarHBondContact ND2-O 2.74Å; A238-E243 HydrophobicContact CB-CB 4.49Å; N240-E243 HydrophobicContact CB-CB 4.24Å; N240-E243 HydrophobicContact CB-CG 4.11Å; N240-E243 WeakPolarHBondContact CB-OE2 3.47Å; N240-E243 PolarHBondContact ND2-OE2 2.77Å; N240-E243 PolarHBondContact O-N 3.22Å; L241-E243 VanDerWaalsContact C-N 3.31Å; E243-R245 PolarHBondContact O-N 3.25Å |
| 244 | R | 86.5 | Confident | 88.3 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 27% | 0.268 | 29% | 0.292 | S | S | . | . | trans | -63.1 | 128.5 | 176.8 | -70.2 | -170.2 | 176.6 | -161.7 | -9 | 110.8 | E188 D236 A238 N240 | E188-R244 IonicContact OE1-CZ 2.75Å; E188-R244 IonicContact OE1-NH1 2.66Å; E188-R244 PolarHBondContact OE1-NH1 3.08Å; E188-R244 IonicContact OE2-CZ 2.71Å; E188-R244 IonicContact OE2-NH1 3.62Å; E188-R244 PolarHBondContact OE2-NH1 2.91Å; E188-R244 IonicContact OE2-NH2 3.06Å; D236-R244 VanDerWaalsContact OD1-CA 3.25Å; D236-R244 WeakPolarHBondContact OD1-CA 3.47Å; D236-R244 WeakPolarHBondContact OD1-CB 3.37Å; D236-R244 WeakPolarHBondContact OD1-CG 3.17Å; A238-R244 HydrophobicContact CB-CG 3.91Å; A238-R244 PolarHBondContact O-NE 2.81Å; N240-R244 PolarHBondContact O-N 3.07Å | ||
| 245 | R | 89.8 | Confident | 88.4 | Confident | 93 Ų | 93 | 58.6 Ų | 58.6 | 35% | 0.351 | 29% | 0.294 | S | S | . | . | trans | -102.5 | 148.7 | 173.7 | -64.5 | 167.6 | 169.8 | -122.1 | 7.1 | 108.9 | N141 D142 N143 D236 E243 | N141-R245 PolarHBondContact O-NE 2.87Å; D142-R245 VanDerWaalsContact C-CZ 3.45Å; D142-R245 PolarHBondContact O-NH1 3.04Å; D142-R245 PolarHBondContact O-NH2 2.91Å; N143-R245 WeakPolarHBondContact O-CD 3.4Å; D236-R245 PolarHBondContact N-O 3.31Å; D236-R245 VanDerWaalsContact N-O 3.11Å; D236-R245 WeakPolarHBondContact OD2-CA 3.09Å; D236-R245 VanDerWaalsContact OD2-CB 3.25Å; D236-R245 WeakPolarHBondContact OD2-CB 3.28Å; D236-R245 PolarHBondContact OD2-N 2.75Å; E243-R245 PolarHBondContact O-N 3.25Å | ||
| 246 | T | 90.6 | Very high | 88.3 | Confident | 66 Ų | 66 | 61.8 Ų | 61.8 | 41% | 0.405 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 143.2 | -169.8 | 68 | 0 | 0 | 0 | 0 | 109.5 | A234 N235 | A234-T246 CarbonylContact O-C 3.49Å; A234-T246 VanDerWaalsContact O-CA 3.24Å; A234-T246 WeakPolarHBondContact O-CA 3.37Å; N235-T246 HydrophobicContact CB-CG2 3.99Å; N235-T246 WeakPolarHBondContact OD1-CB 3.41Å; N235-T246 WeakPolarHBondContact OD1-CG2 3.36Å |
| 247 | T | 91.7 | Very high | 88.3 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 22% | 0.221 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 157.2 | 168.2 | 55.1 | 0 | 0 | 0 | 0 | 110.4 | P145 Q233 A234 | P145-T247 VanDerWaalsContact O-CB 3.24Å; P145-T247 WeakPolarHBondContact O-CB 3.45Å; P145-T247 WeakPolarHBondContact O-CG2 3.42Å; P145-T247 PolarHBondContact O-OG1 2.98Å; Q233-T247 CarbonylContact C-O 3.57Å; Q233-T247 WeakPolarHBondContact CA-O 3.38Å; A234-T247 PolarHBondContact N-O 2.81Å; A234-T247 PolarHBondContact O-N 2.92Å |
| 248 | T | 92.2 | Very high | 88.2 | Confident | 79 Ų | 79 | 58 Ų | 58 | 49% | 0.485 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.4 | -174.3 | 56.3 | 0 | 0 | 0 | 0 | 110.2 | Q192 I231 I232 Q233 | Q192-T248 VanDerWaalsContact OE1-CG2 3.28Å; I231-T248 HydrophobicContact CG2-CG2 4.21Å; I232-T248 CarbonylContact O-C 3.57Å; I232-T248 VanDerWaalsContact O-CA 3.27Å; I232-T248 WeakPolarHBondContact O-CA 3.14Å; Q233-T248 HydrophobicContact CB-CG2 4.07Å; Q233-T248 HydrophobicContact CG-CG2 4.02Å |
| 249 | T | 91.3 | Very high | 88.3 | Confident | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 159.2 | 167.6 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | F147 E150 Y152 F170 I232 | F147-T249 HydrophobicContact CD1-CG2 3.7Å; F147-T249 HydrophobicContact CD2-CG2 3.81Å; F147-T249 HydrophobicContact CE1-CG2 3.54Å; F147-T249 HydrophobicContact CE2-CG2 3.67Å; F147-T249 HydrophobicContact CG-CG2 3.82Å; F147-T249 HydrophobicContact CZ-CG2 3.53Å; E150-T249 PolarHBondContact O-OG1 2.76Å; Y152-T249 HydrophobicContact CD2-CG2 3.79Å; Y152-T249 HydrophobicContact CE2-CG2 3.88Å; F170-T249 HydrophobicContact CE1-CG2 4.44Å; I232-T249 HydrophobicContact CB-CG2 4.07Å; I232-T249 PolarHBondContact N-O 3.34Å; I232-T249 PolarHBondContact O-N 2.86Å |
| 250 | T | 91 | Very high | 88.5 | Confident | 53 Ų | 53 | 53.5 Ų | 53.5 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 121.2 | 176.9 | -51.9 | 0 | 0 | 0 | 0 | 109.4 | S151 Y152 Y229 | S151-T250 WeakPolarHBondContact CA-O 3.43Å; S151-T250 WeakPolarHBondContact CB-O 3.36Å; Y152-T250 PolarHBondContact N-O 3.32Å; Y229-T250 HydrophobicContact CD1-CG2 4.29Å |
| 251 | L | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 112.3 | 166.2 | 174.1 | 65.2 | 0 | 0 | 0 | 108.4 | Y152 A154 F167 V214 V230 I232 V253 | Y152-L251 WeakPolarHBondContact O-CA 3.37Å; A154-L251 HydrophobicContact CB-CD1 4.23Å; F167-L251 HydrophobicContact CB-CD2 4.23Å; F167-L251 HydrophobicContact CD1-CD1 4.44Å; F167-L251 HydrophobicContact CD1-CD2 4.17Å; F167-L251 HydrophobicContact CD2-CD1 4.04Å; F167-L251 HydrophobicContact CE2-CD1 4.11Å; F167-L251 HydrophobicContact CG-CD1 4.19Å; F167-L251 HydrophobicContact CG-CD2 4.15Å; F167-L251 HydrophobicContact CZ-CD1 4.35Å; V214-L251 HydrophobicContact CB-CD2 4.41Å; V214-L251 HydrophobicContact CG1-CD2 4.45Å; V214-L251 HydrophobicContact CG2-CD2 3.87Å; V230-L251 HydrophobicContact CB-CB 4.29Å; V230-L251 PolarHBondContact N-O 3.46Å; V230-L251 PolarHBondContact O-N 3.06Å; I232-L251 HydrophobicContact CG1-CB 3.94Å; L251-V253 HydrophobicContact CD2-CG2 4.12Å; L251-V253 HydrophobicContact CG-CG2 3.89Å |
| 252 | T | 92.9 | Very high | 89 | Confident | 25 Ų | 25 | 45.7 Ų | 45.7 | 15% | 0.153 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.2 | 173.8 | -53.2 | 0 | 0 | 0 | 0 | 108.6 | Y152 Y153 A154 R227 Y228 Y229 | Y152-T252 PolarHBondContact O-N 2.94Å; Y153-T252 WeakPolarHBondContact CA-O 3.37Å; Y153-T252 HydrophobicContact CD2-CG2 4.32Å; Y153-T252 HydrophobicContact CE2-CG2 4.46Å; A154-T252 PolarHBondContact N-O 2.94Å; R227-T252 HydrophobicContact CG-CG2 4.02Å; Y228-T252 WeakPolarHBondContact O-CA 3.28Å; Y229-T252 HydrophobicContact CD1-CG2 4.22Å; Y229-T252 HydrophobicContact CE1-CG2 3.96Å |
| 253 | V | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 112.1 | 179.4 | -175.3 | 0 | 0 | 0 | 0 | 109 | A154 V156 I166 F204 R227 Y228 V230 L251 | A154-V253 VanDerWaalsContact O-CA 3.32Å; A154-V253 WeakPolarHBondContact O-CA 3.09Å; V156-V253 HydrophobicContact CB-CG1 4.46Å; V156-V253 HydrophobicContact CG1-CG1 3.52Å; I166-V253 HydrophobicContact CD1-CG1 4.1Å; I166-V253 HydrophobicContact CD1-CG2 4.08Å; F204-V253 HydrophobicContact CE1-CG1 4.22Å; F204-V253 HydrophobicContact CZ-CB 4.13Å; F204-V253 HydrophobicContact CZ-CG1 3.92Å; F204-V253 HydrophobicContact CZ-CG2 4.34Å; R227-V253 WeakPolarHBondContact CA-O 3.23Å; Y228-V253 PolarHBondContact N-O 3.17Å; Y228-V253 PolarHBondContact O-N 3.29Å; V230-V253 HydrophobicContact CG2-CG2 4.26Å; L251-V253 HydrophobicContact CD2-CG2 4.12Å; L251-V253 HydrophobicContact CG-CG2 3.89Å |
| 254 | D | 91.9 | Very high | 89.7 | Confident | 20 Ų | 20 | 34.8 Ų | 34.8 | 11% | 0.107 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 129.6 | 175.5 | -76.5 | 0 | 0 | 0 | 0 | 109.9 | Y153 A154 T155 V156 R227 | Y153-D254 HydrophobicContact CE2-CB 4.22Å; Y153-D254 VanDerWaalsContact CE2-OD2 3.26Å; Y153-D254 WeakPolarHBondContact CE2-OD2 3.42Å; Y153-D254 WeakPolarHBondContact OH-CB 3.45Å; Y153-D254 VanDerWaalsContact OH-CG 3.28Å; Y153-D254 PolarHBondContact OH-OD2 2.81Å; A154-D254 PolarHBondContact O-N 3.25Å; T155-D254 CarbonylContact C-O 3.55Å; T155-D254 VanDerWaalsContact CA-O 3.28Å; T155-D254 WeakPolarHBondContact CA-O 3.42Å; T155-D254 HydrophobicContact CG2-CB 4.08Å; V156-D254 PolarHBondContact N-O 2.9Å; R227-D254 WeakPolarHBondContact CG-OD1 3.43Å; R227-D254 IonicContact CZ-OD1 2.82Å; R227-D254 IonicContact CZ-OD2 3.19Å; R227-D254 IonicContact NE-OD1 2.99Å; R227-D254 PolarHBondContact NE-OD1 3.49Å; R227-D254 IonicContact NE-OD2 2.76Å; R227-D254 IonicContact NH2-OD1 3.89Å; R227-D254 PolarHBondContact NH2-OD1 3.35Å; R227-D254 IonicContact NH2-OD2 3.87Å; R227-D254 PolarHBondContact NH2-OD2 3.38Å |
| 255 | V | 91.9 | Very high | 89.9 | Confident | 6 Ų | 6 | 32 Ų | 32 | 4% | 0.036 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.6 | 176.5 | -172 | 0 | 0 | 0 | 0 | 108.1 | V156 E158 L220 Y222 T226 Y228 | V156-V255 CarbonylContact O-C 3.5Å; V156-V255 VanDerWaalsContact O-CA 3.28Å; V156-V255 WeakPolarHBondContact O-CA 3.45Å; E158-V255 HydrophobicContact CB-CG1 3.81Å; L220-V255 HydrophobicContact CB-CG1 4.26Å; L220-V255 HydrophobicContact CD1-CG1 4.3Å; L220-V255 HydrophobicContact CD1-CG2 4.24Å; L220-V255 HydrophobicContact CD2-CG2 4.47Å; Y222-V255 HydrophobicContact CD2-CB 4.13Å; Y222-V255 HydrophobicContact CD2-CG1 4.12Å; Y222-V255 VanDerWaalsContact CD2-O 3.29Å; Y222-V255 WeakPolarHBondContact CD2-O 3.16Å; Y222-V255 WeakPolarHBondContact CE2-O 3.27Å; T226-V255 PolarHBondContact O-N 2.9Å; Y228-V255 HydrophobicContact CD2-CG2 3.95Å; Y228-V255 HydrophobicContact CE2-CG2 3.71Å |
| 256 | L | 89.9 | Confident | 89.7 | Confident | 80 Ų | 80 | 29.8 Ų | 29.8 | 42% | 0.419 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.5 | 170.3 | -56.6 | 175.4 | 0 | 0 | 0 | 108.5 | V156 N157 E158 | V156-L256 PolarHBondContact O-N 3.45Å; N157-L256 WeakPolarHBondContact CA-O 3.5Å; N157-L256 HydrophobicContact CB-CB 4.41Å; E158-L256 PolarHBondContact N-O 2.92Å |
| 257 | D | 90.5 | Very high | 89.5 | Confident | 9 Ų | 9 | 29.8 Ų | 29.8 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 130.8 | 174.6 | -163.8 | -28.1 | 0 | 0 | 0 | 109.9 | E158 Y222 R311 N312 | E158-D257 VanDerWaalsContact OE1-CA 3.3Å; E158-D257 WeakPolarHBondContact OE1-CA 3.24Å; Y222-D257 HydrophobicContact CD1-CB 3.59Å; Y222-D257 WeakPolarHBondContact CD1-OD2 3.33Å; Y222-D257 HydrophobicContact CD2-CB 3.84Å; Y222-D257 HydrophobicContact CE1-CB 3.74Å; Y222-D257 WeakPolarHBondContact CE1-OD2 3.41Å; Y222-D257 HydrophobicContact CE2-CB 3.98Å; Y222-D257 HydrophobicContact CG-CB 3.65Å; D257-R311 PolarHBondContact OD2-N 3.31Å; D257-R311 VanDerWaalsContact OD2-N 3.09Å; D257-N312 WeakPolarHBondContact CB-O 3.12Å; D257-N312 WeakPolarHBondContact OD2-CA 3.37Å; D257-N312 PolarHBondContact OD2-N 2.91Å |
| 258 | G | 86.4 | Confident | 88.9 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | trans | -131.4 | 144 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | E158 D260 | E158-G258 PolarHBondContact OE1-N 3.39Å; G258-D260 PolarHBondContact O-N 2.98Å | ||
| 259 | D | 87.6 | Confident | 88 | Confident | 37 Ų | 37 | 28.5 Ų | 28.5 | 20% | 0.198 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -60.8 | 92.4 | -177.1 | -179.3 | 52.6 | 0 | 0 | 0 | 112.9 | D310 I313 Q369 N371 H373 | D259-D310 WeakPolarHBondContact CA-OD2 3.16Å; D259-I313 HydrophobicContact CB-CD1 3.94Å; D259-Q369 PolarHBondContact OD1-NE2 3.05Å; D259-N371 PolarHBondContact OD2-ND2 2.73Å; D259-H373 IonicContact OD1-CD2 3.28Å; D259-H373 IonicContact OD2-CD2 2.75Å; D259-H373 PolarHBondContact OD2-CD2 2.8Å; D259-H373 IonicContact OD2-CG 2.63Å |
| 260 | D | 84.6 | Confident | 87 | Confident | 48 Ų | 48 | 33.5 Ų | 33.5 | 26% | 0.257 | 19% | 0.19 | S | C | . | . | trans | -126.6 | -6.3 | 172.3 | 80.9 | -11.2 | 0 | 0 | 0 | 114.8 | L159 G258 | L159-D260 HydrophobicContact CD2-CB 3.81Å; G258-D260 PolarHBondContact O-N 2.98Å | ||
| 261 | L | 87.3 | Confident | 85.7 | Confident | 52 Ų | 52 | 33.7 Ų | 33.7 | 27% | 0.272 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -102.8 | 157.2 | 173.2 | -53.6 | 178.9 | 0 | 0 | 0 | 111.9 | E223 Q309 D310 Q369 H373 | E223-L261 HydrophobicContact CG-CD1 3.91Å; L261-Q309 HydrophobicContact CB-CB 3.64Å; L261-Q309 HydrophobicContact CD1-CB 3.89Å; L261-Q309 HydrophobicContact CG-CB 4.41Å; L261-D310 VanDerWaalsContact CB-OD1 3.23Å; L261-D310 WeakPolarHBondContact CB-OD1 3.35Å; L261-D310 VanDerWaalsContact CG-OD1 3.25Å; L261-D310 WeakPolarHBondContact CG-OD1 3.26Å; L261-D310 PolarHBondContact N-OD1 2.94Å; L261-Q369 PolarHBondContact O-NE2 2.91Å; L261-Q369 PolarHBondContact O-OE1 2.59Å; L261-H373 VanDerWaalsContact C-CE1 3.47Å; L261-H373 PolarHBondContact O-CE1 2.81Å; L261-H373 PolarHBondContact O-ND1 3.21Å |
| 262 | G | 85.2 | Confident | 84.6 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | trans | -92.6 | 176.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q309 | G262-Q309 WeakPolarHBondContact O-CB 3.48Å; G262-Q309 WeakPolarHBondContact O-CG 3.42Å; G262-Q309 PolarHBondContact O-N 2.95Å; G262-Q309 PolarHBondContact O-OE1 3.48Å; G262-Q309 VanDerWaalsContact O-OE1 3.1Å | ||
| 263 | P | 90.2 | Very high | 83 | Confident | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 155.7 | 168.7 | 31.8 | -30.4 | 0 | 0 | 0 | 110.9 | I307 I322 A367 Q369 L375 A377 | P263-I307 CarbonylContact C-O 3.55Å; P263-I307 WeakPolarHBondContact CA-O 3.43Å; P263-I322 HydrophobicContact CB-CD1 4.04Å; P263-I322 HydrophobicContact CB-CG1 4.23Å; P263-I322 HydrophobicContact CB-CG2 4.4Å; P263-A367 HydrophobicContact CB-CB 4.44Å; P263-A367 HydrophobicContact CG-CB 4.24Å; P263-A367 WeakPolarHBondContact CG-O 3.32Å; P263-Q369 HydrophobicContact CG-CG 4.45Å; P263-L375 WeakPolarHBondContact CD-O 3.3Å; P263-A377 HydrophobicContact CG-CB 4.48Å; P263-A377 VanDerWaalsContact O-CB 3.26Å; P263-A377 WeakPolarHBondContact O-CB 3.43Å |
| 264 | M | 87.4 | Confident | 81.6 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 18% | 0.177 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 127.1 | -179.4 | 176 | -174.9 | 72.7 | 0 | 0 | 110.6 | L266 C268 C277 A306 I307 Q309 | M264-L266 HydrophobicContact CE-CD2 4.07Å; M264-C268 HydrophobicContact CE-CB 4.05Å; M264-C268 HydrophobicContact CG-CB 4.27Å; M264-C268 HydrophobicContact SD-CB 3.8Å; M264-C277 VanDerWaalsContact CG-SG 3.57Å; M264-C277 PolarHBondContact SD-SG 2.98Å; M264-A306 CarbonylContact O-C 3.58Å; M264-A306 WeakPolarHBondContact O-CA 3.19Å; M264-A306 WeakPolarHBondContact O-CB 3.16Å; M264-I307 HydrophobicContact CE-CD1 4.15Å; M264-I307 HydrophobicContact CE-CG1 4.16Å; M264-I307 PolarHBondContact N-O 2.86Å; M264-I307 PolarHBondContact O-N 2.91Å; M264-Q309 HydrophobicContact CB-CG 3.58Å; M264-Q309 HydrophobicContact SD-CG 4.29Å |
| 265 | F | 90.3 | Very high | 80.3 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 6% | 0.057 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 143.1 | 176.3 | -78.2 | -71.9 | 0 | 0 | 0 | 112.6 | L280 Y282 I304 Q305 A306 Y324 I365 A367 A377 A379 | F265-L280 HydrophobicContact CB-CD1 3.92Å; F265-Y282 HydrophobicContact CD1-CE2 4.15Å; F265-Y282 WeakPolarHBondContact CD1-OH 3.4Å; F265-Y282 HydrophobicContact CG-CE2 4.49Å; F265-I304 HydrophobicContact CD1-CG2 4.42Å; F265-I304 HydrophobicContact CE1-CG2 3.97Å; F265-Q305 CarbonylContact C-O 3.56Å; F265-Q305 WeakPolarHBondContact CA-O 3.41Å; F265-A306 HydrophobicContact CD1-CB 3.95Å; F265-A306 HydrophobicContact CE1-CB 4.24Å; F265-A306 HydrophobicContact CG-CB 4.39Å; F265-Y324 HydrophobicContact CE1-CD1 4.08Å; F265-Y324 AromaticContact CE1-CE1 3.97Å; F265-Y324 HydrophobicContact CE1-CE1 3.97Å; F265-I365 HydrophobicContact CE1-CD1 3.93Å; F265-I365 HydrophobicContact CE1-CG1 4.45Å; F265-I365 HydrophobicContact CZ-CD1 4.04Å; F265-I365 HydrophobicContact CZ-CG1 4.05Å; F265-A367 HydrophobicContact CE1-CB 3.99Å; F265-A367 HydrophobicContact CE2-CB 3.8Å; F265-A367 HydrophobicContact CZ-CB 3.46Å; F265-A367 VanDerWaalsContact CZ-CB 3.46Å; F265-A377 HydrophobicContact CD2-CB 3.91Å; F265-A377 HydrophobicContact CE2-CB 4.01Å; F265-A379 HydrophobicContact CD2-CB 3.81Å; F265-A379 HydrophobicContact CE2-CB 3.93Å; F265-A379 HydrophobicContact CG-CB 4.19Å; F265-A379 HydrophobicContact CZ-CB 4.41Å |
| 266 | L | 85.8 | Confident | 79.1 | Confident | 46 Ų | 46 | 61.1 Ų | 61.1 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 145.6 | 178.3 | -63.5 | -179.8 | 0 | 0 | 0 | 111.1 | M264 Y282 Q305 I307 | M264-L266 HydrophobicContact CE-CD2 4.07Å; L266-Y282 PolarHBondContact O-OH 3.14Å; L266-Q305 HydrophobicContact CB-CB 4.38Å; L266-Q305 PolarHBondContact N-O 2.93Å; L266-I307 HydrophobicContact CD1-CD1 4.28Å; L266-I307 HydrophobicContact CD1-CG1 4.2Å; L266-I307 HydrophobicContact CD1-CG2 3.83Å; L266-I307 HydrophobicContact CD2-CD1 4.31Å; L266-I307 HydrophobicContact CD2-CG1 4.32Å; L266-I307 HydrophobicContact CG-CG1 4.33Å |
| 267 | P | 85.8 | Confident | 78.3 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 44% | 0.435 | 32% | 0.319 | S | S | . | . | S | Bend | cis | -77.9 | 126.9 | -1.8 | 30.4 | -33.2 | 0 | 0 | 0 | 112.6 | V269 L280 P302 | P267-V269 PolarHBondContact O-N 2.78Å; P267-L280 VanDerWaalsContact O-CD1 3.27Å; P267-L280 WeakPolarHBondContact O-CD1 3.47Å; P267-L280 VanDerWaalsContact O-CD2 3.26Å; P267-L280 WeakPolarHBondContact O-CD2 3.32Å; P267-P302 VanDerWaalsContact CD-CG 3.48Å; P267-P302 HydrophobicContact CG-CB 4.42Å; P267-P302 HydrophobicContact CG-CG 4.13Å |
| 268 | C | 79.3 | Confident | 77.2 | Confident | 35 Ų | 35 | 64.7 Ų | 64.7 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | trans | -73.1 | 127.9 | 174.4 | 168.5 | 0 | 0 | 0 | 0 | 111 | M264 C277 | M264-C268 HydrophobicContact CE-CB 4.05Å; M264-C268 HydrophobicContact CG-CB 4.27Å; M264-C268 HydrophobicContact SD-CB 3.8Å; C268-C277 HydrophobicContact CB-CB 3.99Å; C268-C277 WeakPolarHBondContact CB-SG 3.19Å; C268-C277 WeakPolarHBondContact SG-CB 3.47Å; C268-C277 CovalentContact SG-SG 2.02Å; C268-C277 PolarHBondContact SG-SG 3.2Å | ||
| 269 | V | 73.6 | Confident | 76.4 | Confident | 52 Ų | 52 | 70 Ų | 70 | 32% | 0.315 | 38% | 0.376 | S | S | . | . | trans | -110 | 108.6 | 166.8 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | P267 V271 R278 | P267-V269 PolarHBondContact O-N 2.78Å; V269-V271 PolarHBondContact O-N 2.89Å; V269-R278 HydrophobicContact CB-CG 3.93Å; V269-R278 VanDerWaalsContact CB-NE 3.3Å; V269-R278 HydrophobicContact CG1-CG 4.49Å; V269-R278 PolarHBondContact O-N 2.96Å | ||
| 270 | L | 69.8 | Low | 75.9 | Confident | 111 Ų | 111 | 69.3 Ų | 69.3 | 58% | 0.581 | 37% | 0.372 | S | S | * | . | B | Isolated β-bridge | trans | -56.8 | 129.2 | -179.2 | -80.3 | 137.3 | 0 | 0 | 0 | 111.5 | D276 | L270-D276 WeakPolarHBondContact CA-O 3.03Å |
| 271 | V | 64.9 | Low | 75.9 | Confident | 56 Ų | 56 | 71 Ų | 71 | 34% | 0.339 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 129.4 | 170.8 | 177.1 | 0 | 0 | 0 | 0 | 108 | V269 N273 T274 D276 R278 | V269-V271 PolarHBondContact O-N 2.89Å; V271-N273 PolarHBondContact O-N 3.35Å; V271-T274 VanDerWaalsContact CB-OG1 3.31Å; V271-T274 WeakPolarHBondContact CB-OG1 3.46Å; V271-T274 HydrophobicContact CG1-CG2 4.36Å; V271-T274 PolarHBondContact O-N 3.15Å; V271-T274 PolarHBondContact O-OG1 3.04Å; V271-D276 PolarHBondContact N-O 3.02Å; V271-R278 HydrophobicContact CG2-CB 4.08Å |
| 272 | P | 69.2 | Low | 76.1 | Confident | 109 Ų | 109 | 68.5 Ų | 68.5 | 71% | 0.708 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 132.8 | -176 | -26.7 | 33 | 0 | 0 | 0 | 112.8 | T274 | P272-T274 VanDerWaalsContact C-N 3.25Å; P272-T274 PolarHBondContact O-N 3.17Å |
| 273 | N | 60 | Low | 76.4 | Confident | 176 Ų | 176 | 74 Ų | 74 | 94% | 0.941 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 17.7 | -177.6 | -50.1 | -43.9 | 0 | 0 | 0 | 115.6 | V271 | V271-N273 PolarHBondContact O-N 3.35Š|
| 274 | T | 62.2 | Low | 76.5 | Confident | 67 Ų | 67 | 74.1 Ų | 74.1 | 41% | 0.411 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -132.7 | 163.9 | 173.5 | 75.9 | 0 | 0 | 0 | 0 | 110.5 | V271 P272 D276 | V271-T274 VanDerWaalsContact CB-OG1 3.31Å; V271-T274 WeakPolarHBondContact CB-OG1 3.46Å; V271-T274 HydrophobicContact CG1-CG2 4.36Å; V271-T274 PolarHBondContact O-N 3.15Å; V271-T274 PolarHBondContact O-OG1 3.04Å; P272-T274 VanDerWaalsContact C-N 3.25Å; P272-T274 PolarHBondContact O-N 3.17Å; T274-D276 VanDerWaalsContact C-N 3.28Å; T274-D276 PolarHBondContact OG1-N 3.39Å |
| 275 | R | 64.4 | Low | 76.7 | Confident | 166 Ų | 166 | 75.2 Ų | 75.2 | 63% | 0.626 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -90.7 | 10.5 | 167.4 | -76.3 | -173.8 | 177.5 | 167.5 | 4.5 | 112.4 | D224 | D224-R275 IonicContact OD1-CZ 3.24Å; D224-R275 VanDerWaalsContact OD1-CZ 3.31Å; D224-R275 IonicContact OD1-NH1 3.57Å; D224-R275 PolarHBondContact OD1-NH1 3.02Å; D224-R275 IonicContact OD1-NH2 3.87Å; D224-R275 PolarHBondContact OD1-NH2 2.94Å |
| 276 | D | 66.8 | Low | 76.7 | Confident | 110 Ų | 110 | 74.7 Ų | 74.7 | 59% | 0.588 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -96.3 | 153.1 | -174.9 | -159.3 | 3.3 | 0 | 0 | 0 | 111.6 | L270 V271 T274 | L270-D276 WeakPolarHBondContact CA-O 3.03Å; V271-D276 PolarHBondContact N-O 3.02Å; T274-D276 VanDerWaalsContact C-N 3.28Å; T274-D276 PolarHBondContact OG1-N 3.39Å |
| 277 | C | 72.4 | Confident | 76.8 | Confident | 23 Ų | 23 | 73.9 Ų | 73.9 | 16% | 0.155 | 41% | 0.407 | C | S | . | . | B | Isolated β-bridge | trans | -98.4 | 139.7 | -178.3 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | M264 C268 | M264-C277 VanDerWaalsContact CG-SG 3.57Å; M264-C277 PolarHBondContact SD-SG 2.98Å; C268-C277 HydrophobicContact CB-CB 3.99Å; C268-C277 WeakPolarHBondContact CB-SG 3.19Å; C268-C277 WeakPolarHBondContact SG-CB 3.47Å; C268-C277 CovalentContact SG-SG 2.02Å; C268-C277 PolarHBondContact SG-SG 3.2Å |
| 278 | R | 68.9 | Low | 76.8 | Confident | 141 Ų | 141 | 71.1 Ų | 71.1 | 53% | 0.532 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 142 | 170.4 | 74.4 | -170.7 | -177.4 | -174.6 | -3 | 109.6 | V269 V271 L280 | V269-R278 HydrophobicContact CB-CG 3.93Å; V269-R278 VanDerWaalsContact CB-NE 3.3Å; V269-R278 HydrophobicContact CG1-CG 4.49Å; V269-R278 PolarHBondContact O-N 2.96Å; V271-R278 HydrophobicContact CG2-CB 4.08Å; R278-L280 PolarHBondContact O-N 2.74Å |
| 279 | P | 69.1 | Low | 77.1 | Confident | 116 Ų | 116 | 73.7 Ų | 73.7 | 75% | 0.753 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 130.8 | 174.5 | -24.1 | 32.4 | 0 | 0 | 0 | 111 | ||
| 280 | L | 77.2 | Confident | 77.7 | Confident | 22 Ų | 22 | 76 Ų | 76 | 12% | 0.115 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 143.4 | 177.9 | -69.6 | 161.4 | 0 | 0 | 0 | 110.3 | F265 P267 R278 Y282 S380 | F265-L280 HydrophobicContact CB-CD1 3.92Å; P267-L280 VanDerWaalsContact O-CD1 3.27Å; P267-L280 WeakPolarHBondContact O-CD1 3.47Å; P267-L280 VanDerWaalsContact O-CD2 3.26Å; P267-L280 WeakPolarHBondContact O-CD2 3.32Å; R278-L280 PolarHBondContact O-N 2.74Å; L280-Y282 HydrophobicContact CB-CE2 4.35Å; L280-S380 PolarHBondContact O-N 3.14Å; L280-S380 VanDerWaalsContact O-N 3.1Å |
| 281 | T | 84 | Confident | 78.6 | Confident | 82 Ų | 82 | 73 Ų | 73 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 110.4 | 168.5 | -48.1 | 0 | 0 | 0 | 0 | 107.8 | S380 H382 | T281-S380 CarbonylContact C-O 3.51Å; T281-S380 VanDerWaalsContact CA-O 3.31Å; T281-S380 WeakPolarHBondContact CA-O 3.37Å; T281-H382 HydrophobicContact CG2-CB 4.46Å |
| 282 | Y | 91.8 | Very high | 79.6 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 144.8 | 171 | -66 | -74.5 | 0 | 0 | 0 | 109.6 | F265 L266 L280 V300 P302 I304 I365 A379 S380 L381 H382 | F265-Y282 HydrophobicContact CD1-CE2 4.15Å; F265-Y282 WeakPolarHBondContact CD1-OH 3.4Å; F265-Y282 HydrophobicContact CG-CE2 4.49Å; L266-Y282 PolarHBondContact O-OH 3.14Å; L280-Y282 HydrophobicContact CB-CE2 4.35Å; Y282-V300 HydrophobicContact CD1-CG1 4.16Å; Y282-V300 HydrophobicContact CG-CG1 4.28Å; Y282-P302 HydrophobicContact CD1-CG 3.96Å; Y282-P302 WeakPolarHBondContact CD1-O 3.49Å; Y282-P302 HydrophobicContact CE1-CG 3.82Å; Y282-P302 WeakPolarHBondContact CE1-O 3.35Å; Y282-I304 HydrophobicContact CD1-CG1 3.91Å; Y282-I304 HydrophobicContact CD2-CG1 4.29Å; Y282-I304 HydrophobicContact CE1-CB 4.46Å; Y282-I304 HydrophobicContact CE1-CG1 4.08Å; Y282-I304 HydrophobicContact CE2-CG1 4.45Å; Y282-I304 HydrophobicContact CG-CG1 4.01Å; Y282-I365 HydrophobicContact CD2-CD1 3.68Å; Y282-I365 HydrophobicContact CE2-CD1 3.76Å; Y282-A379 HydrophobicContact CD2-CB 3.9Å; Y282-A379 HydrophobicContact CE2-CB 3.59Å; Y282-S380 PolarHBondContact N-O 2.98Å; Y282-L381 CarbonylContact O-C 3.57Å; Y282-L381 WeakPolarHBondContact O-CA 3.13Å; Y282-H382 PolarHBondContact O-N 3.32Å |
| 283 | Q | 91.7 | Very high | 80.5 | Confident | 121 Ų | 121 | 75.3 Ų | 75.3 | 57% | 0.565 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 140 | -179.1 | -66 | -176.7 | -28.9 | 0 | 0 | 111 | T301 H382 | Q283-T301 PolarHBondContact N-O 2.55Å; Q283-T301 PolarHBondContact O-N 2.88Å; Q283-H382 CarbonylContact C-O 3.56Å; Q283-H382 VanDerWaalsContact CA-O 3.29Å; Q283-H382 WeakPolarHBondContact CA-O 3.49Å; Q283-H382 HydrophobicContact CG-CB 4.43Å |
| 284 | A | 92.9 | Very high | 81.5 | Confident | 8 Ų | 8 | 72.8 Ų | 72.8 | 7% | 0.066 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 147.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | I298 V300 H382 I383 E384 | A284-I298 HydrophobicContact CB-CG2 3.89Å; A284-V300 HydrophobicContact CB-CG2 4.32Å; A284-H382 PolarHBondContact N-O 3.37Å; A284-I383 HydrophobicContact CB-CG1 4.39Å; A284-I383 HydrophobicContact CB-CG2 4.37Å; A284-I383 CarbonylContact O-C 3.53Å; A284-I383 VanDerWaalsContact O-CA 3.31Å; A284-I383 WeakPolarHBondContact O-CA 3.15Å; A284-E384 PolarHBondContact O-N 2.84Å |
| 285 | A | 90.7 | Very high | 82.6 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | E384 L386 | A285-E384 WeakPolarHBondContact CA-O 3.49Å; A285-L386 HydrophobicContact CB-CD1 4.03Å; A285-L386 HydrophobicContact CB-CD2 4.2Å; A285-L386 HydrophobicContact CB-CG 4.11Å |
| 286 | I | 89.5 | Confident | 83.8 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 123.4 | -173.1 | -59.4 | 176.2 | 0 | 0 | 0 | 108.6 | L295 I298 F338 I383 E384 I385 L386 | I286-L295 HydrophobicContact CB-CD2 4.23Å; I286-L295 HydrophobicContact CD1-CD2 3.93Å; I286-L295 HydrophobicContact CG1-CD2 3.95Å; I286-L295 HydrophobicContact CG2-CD1 4.02Å; I286-L295 HydrophobicContact CG2-CD2 3.36Å; I286-L295 HydrophobicContact CG2-CG 4.35Å; I286-I298 HydrophobicContact CD1-CD1 3.68Å; I286-I298 HydrophobicContact CD1-CG1 3.99Å; I286-I298 HydrophobicContact CD1-CG2 3.96Å; I286-I298 HydrophobicContact CG1-CG2 4.18Å; I286-F338 HydrophobicContact CD1-CE1 3.58Å; I286-F338 HydrophobicContact CD1-CZ 4.06Å; I286-I383 HydrophobicContact CD1-CG2 3.62Å; I286-I383 HydrophobicContact CG1-CG2 4.07Å; I286-E384 PolarHBondContact N-O 3.19Å; I286-I385 HydrophobicContact CB-CD1 4.11Å; I286-I385 CarbonylContact O-C 3.58Å; I286-I385 VanDerWaalsContact O-CA 3.3Å; I286-I385 WeakPolarHBondContact O-CA 3.38Å; I286-L386 PolarHBondContact O-N 2.78Å |
| 287 | P | 88.3 | Confident | 84.9 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 20% | 0.195 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 140.8 | 171.7 | -14.5 | 27.8 | 0 | 0 | 0 | 111.2 | R290 E388 | P287-R290 HydrophobicContact CB-CG 3.83Å; P287-R290 HydrophobicContact CG-CG 4.24Å; P287-R290 WeakPolarHBondContact O-CG 3.5Å; P287-E388 HydrophobicContact CB-CG 4.37Å |
| 288 | E | 86.3 | Confident | 85.7 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 157 | -179.5 | 72.1 | 170.6 | 153.8 | 0 | 0 | 113.4 | R290 V353 R355 I385 L386 E388 N390 | E288-R290 PolarHBondContact O-N 2.87Å; E288-V353 WeakPolarHBondContact CA-O 3.31Å; E288-R355 HydrophobicContact CB-CB 4.04Å; E288-R355 HydrophobicContact CG-CB 4.46Å; E288-R355 WeakPolarHBondContact OE2-CB 3.43Å; E288-R355 PolarHBondContact OE2-N 2.89Å; E288-I385 HydrophobicContact CB-CG2 3.83Å; E288-L386 PolarHBondContact N-O 2.98Å; E288-L386 VanDerWaalsContact N-O 3.11Å; E288-E388 HydrophobicContact CG-CB 4.02Å; E288-E388 HydrophobicContact CG-CG 4.04Å; E288-E388 PolarHBondContact OE1-N 3.23Å; E288-N390 PolarHBondContact OE1-ND2 2.76Å |
| 289 | L | 85.5 | Confident | 86.8 | Confident | 89 Ų | 89 | 64.5 Ų | 64.5 | 47% | 0.466 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 8.3 | 176.1 | -57.7 | 175.8 | 0 | 0 | 0 | 115.9 | V353 N354 | L289-V353 PolarHBondContact N-O 2.86Å; L289-N354 HydrophobicContact CD2-CB 3.87Å |
| 290 | R | 86.2 | Confident | 87.8 | Confident | 101 Ų | 101 | 60 Ų | 60 | 38% | 0.381 | 32% | 0.319 | S | S | . | . | trans | -63.8 | 140.3 | 173.3 | -71.5 | -73.7 | 174.3 | -157.6 | -7.8 | 111.9 | P287 E288 E294 L295 P352 | P287-R290 HydrophobicContact CB-CG 3.83Å; P287-R290 HydrophobicContact CG-CG 4.24Å; P287-R290 WeakPolarHBondContact O-CG 3.5Å; E288-R290 PolarHBondContact O-N 2.87Å; R290-E294 WeakPolarHBondContact CD-OE2 3.35Å; R290-E294 IonicContact CZ-OE2 3.79Å; R290-E294 IonicContact NH1-OE2 3.88Å; R290-E294 PolarHBondContact NH1-OE2 2.9Å; R290-L295 HydrophobicContact CB-CD1 4.42Å; R290-P352 WeakPolarHBondContact O-CB 3.39Å | ||
| 291 | T | 88.2 | Confident | 88.3 | Confident | 48 Ų | 48 | 63.8 Ų | 63.8 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | trans | -76.2 | 148.4 | 177.9 | 62.5 | 0 | 0 | 0 | 0 | 110.8 | E293 E294 L295 | T291-E293 PolarHBondContact O-N 3.06Å; T291-E293 VanDerWaalsContact O-N 3.12Å; T291-E294 PolarHBondContact O-N 2.82Å; T291-E294 VanDerWaalsContact O-N 3.16Å; T291-E294 WeakPolarHBondContact OG1-CG 3.33Å; T291-E294 PolarHBondContact OG1-OE1 2.94Å; T291-L295 PolarHBondContact O-N 2.95Å | ||
| 292 | P | 87.2 | Confident | 88.4 | Confident | 32 Ų | 32 | 61.8 Ų | 61.8 | 21% | 0.208 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.2 | -27.1 | 174.3 | -29.4 | 37 | 0 | 0 | 0 | 114.3 | N296 L349 L350 | P292-N296 WeakPolarHBondContact O-CB 3.26Å; P292-N296 PolarHBondContact O-N 3.1Å; P292-N296 PolarHBondContact O-ND2 2.82Å; P292-L349 WeakPolarHBondContact CB-O 2.92Å; P292-L350 WeakPolarHBondContact CG-O 3.44Å |
| 293 | E | 86.4 | Confident | 88.3 | Confident | 181 Ų | 181 | 65.7 Ų | 65.7 | 85% | 0.846 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -72.3 | -32.7 | -178.7 | -67.6 | 156.4 | -169.8 | 0 | 0 | 112.2 | T291 | T291-E293 PolarHBondContact O-N 3.06Å; T291-E293 VanDerWaalsContact O-N 3.12Å |
| 294 | E | 82.4 | Confident | 88.3 | Confident | 123 Ų | 123 | 60.5 Ų | 60.5 | 58% | 0.575 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -82.5 | -35 | 179.2 | -72.3 | 171.3 | -154.9 | 0 | 0 | 112.7 | R290 T291 | R290-E294 WeakPolarHBondContact CD-OE2 3.35Å; R290-E294 IonicContact CZ-OE2 3.79Å; R290-E294 IonicContact NH1-OE2 3.88Å; R290-E294 PolarHBondContact NH1-OE2 2.9Å; T291-E294 PolarHBondContact O-N 2.82Å; T291-E294 VanDerWaalsContact O-N 3.16Å; T291-E294 WeakPolarHBondContact OG1-CG 3.33Å; T291-E294 PolarHBondContact OG1-OE1 2.94Å |
| 295 | L | 85.7 | Confident | 88.2 | Confident | 36 Ų | 36 | 65.2 Ų | 65.2 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -96.4 | -25.6 | -167.6 | -159.7 | 88.1 | 0 | 0 | 0 | 114 | I286 R290 T291 P297 I298 L349 | I286-L295 HydrophobicContact CB-CD2 4.23Å; I286-L295 HydrophobicContact CD1-CD2 3.93Å; I286-L295 HydrophobicContact CG1-CD2 3.95Å; I286-L295 HydrophobicContact CG2-CD1 4.02Å; I286-L295 HydrophobicContact CG2-CD2 3.36Å; I286-L295 HydrophobicContact CG2-CG 4.35Å; R290-L295 HydrophobicContact CB-CD1 4.42Å; T291-L295 PolarHBondContact O-N 2.95Å; L295-P297 CarbonylContact O-C 3.23Å; L295-P297 VanDerWaalsContact O-O 3.06Å; L295-I298 HydrophobicContact CD2-CD1 4.38Å; L295-I298 HydrophobicContact CD2-CG1 3.71Å; L295-I298 HydrophobicContact CG-CG1 4.4Å; L295-L349 HydrophobicContact CD2-CB 4.21Å; L295-L349 HydrophobicContact CD2-CD2 3.87Å |
| 296 | N | 89.6 | Confident | 88.1 | Confident | 60 Ų | 60 | 62.9 Ų | 62.9 | 32% | 0.321 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 134.5 | -171.5 | -77.1 | -30.6 | 0 | 0 | 0 | 112.9 | P292 T348 L349 | P292-N296 WeakPolarHBondContact O-CB 3.26Å; P292-N296 PolarHBondContact O-N 3.1Å; P292-N296 PolarHBondContact O-ND2 2.82Å; N296-T348 WeakPolarHBondContact OD1-CA 3.41Å; N296-T348 WeakPolarHBondContact OD1-CB 3.41Å; N296-L349 PolarHBondContact ND2-O 3.37Å; N296-L349 PolarHBondContact OD1-N 2.92Å |
| 297 | P | 88.9 | Confident | 88.1 | Confident | 73 Ų | 73 | 66.4 Ų | 66.4 | 47% | 0.474 | 35% | 0.353 | S | S | . | . | S | Bend | cis | -81 | 148.1 | -3.1 | 32.4 | -33.9 | 0 | 0 | 0 | 113.1 | L295 L299 | L295-P297 CarbonylContact O-C 3.23Å; L295-P297 VanDerWaalsContact O-O 3.06Å; P297-L299 PolarHBondContact O-N 3.03Å |
| 298 | I | 90.1 | Very high | 88 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 6% | 0.062 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -66 | 125.3 | 178.1 | -63.7 | 160.5 | 0 | 0 | 0 | 109.6 | A284 I286 L295 V300 F338 L347 L349 | A284-I298 HydrophobicContact CB-CG2 3.89Å; I286-I298 HydrophobicContact CD1-CD1 3.68Å; I286-I298 HydrophobicContact CD1-CG1 3.99Å; I286-I298 HydrophobicContact CD1-CG2 3.96Å; I286-I298 HydrophobicContact CG1-CG2 4.18Å; L295-I298 HydrophobicContact CD2-CD1 4.38Å; L295-I298 HydrophobicContact CD2-CG1 3.71Å; L295-I298 HydrophobicContact CG-CG1 4.4Å; I298-V300 PolarHBondContact O-N 3Å; I298-F338 HydrophobicContact CD1-CD1 3.66Å; I298-F338 HydrophobicContact CD1-CE1 3.67Å; I298-L347 HydrophobicContact CB-CB 4.27Å; I298-L347 HydrophobicContact CB-CD2 4.1Å; I298-L347 HydrophobicContact CB-CG 4.33Å; I298-L347 WeakPolarHBondContact CB-O 3.3Å; I298-L347 HydrophobicContact CD1-CD2 3.9Å; I298-L347 HydrophobicContact CD1-CG 3.89Å; I298-L347 HydrophobicContact CG2-CD2 4Å; I298-L347 PolarHBondContact N-O 3.04Å; I298-L349 HydrophobicContact CD1-CB 4.05Å |
| 299 | L | 91 | Very high | 88 | Confident | 152 Ų | 152 | 68.1 Ų | 68.1 | 80% | 0.796 | 36% | 0.359 | S | S | * | . | trans | -75.3 | 113 | 177.5 | -67.2 | 170.1 | 0 | 0 | 0 | 110.8 | P297 | P297-L299 PolarHBondContact O-N 3.03Š| ||
| 300 | V | 90.8 | Very high | 88.2 | Confident | 21 Ų | 21 | 64 Ų | 64 | 13% | 0.127 | 34% | 0.337 | C | S | . | . | trans | -104.2 | 134 | 176.7 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | Y282 A284 I298 P302 I304 L347 L381 | Y282-V300 HydrophobicContact CD1-CG1 4.16Å; Y282-V300 HydrophobicContact CG-CG1 4.28Å; A284-V300 HydrophobicContact CB-CG2 4.32Å; I298-V300 PolarHBondContact O-N 3Å; V300-P302 CarbonylContact C-O 3.57Å; V300-P302 CarbonylContact O-C 3.57Å; V300-P302 VanDerWaalsContact O-C 3.24Å; V300-I304 HydrophobicContact CB-CD1 4.44Å; V300-I304 HydrophobicContact CB-CG1 4.33Å; V300-I304 HydrophobicContact CG1-CD1 4.09Å; V300-I304 HydrophobicContact CG1-CG1 3.89Å; V300-I304 HydrophobicContact CG2-CD1 4.24Å; V300-L347 HydrophobicContact CG2-CB 4.32Å; V300-L347 HydrophobicContact CG2-CD2 4.1Å; V300-L381 HydrophobicContact CG1-CD1 3.76Å; V300-L381 HydrophobicContact CG2-CD1 4.36Å | ||
| 301 | T | 86.2 | Confident | 88 | Confident | 103 Ų | 103 | 66.5 Ų | 66.5 | 63% | 0.632 | 35% | 0.347 | S | S | * | . | B | Isolated β-bridge | trans | -117.5 | 126 | 178.6 | -50 | 0 | 0 | 0 | 0 | 110.9 | Q283 | Q283-T301 PolarHBondContact N-O 2.55Å; Q283-T301 PolarHBondContact O-N 2.88Å |
| 302 | P | 88 | Confident | 87.9 | Confident | 40 Ų | 40 | 67.5 Ų | 67.5 | 26% | 0.26 | 35% | 0.35 | S | S | . | . | S | Bend | cis | -63.8 | 167.1 | -15.2 | 27.1 | -30.6 | 0 | 0 | 0 | 111.9 | P267 Y282 V300 I304 | P267-P302 VanDerWaalsContact CD-CG 3.48Å; P267-P302 HydrophobicContact CG-CB 4.42Å; P267-P302 HydrophobicContact CG-CG 4.13Å; Y282-P302 HydrophobicContact CD1-CG 3.96Å; Y282-P302 WeakPolarHBondContact CD1-O 3.49Å; Y282-P302 HydrophobicContact CE1-CG 3.82Å; Y282-P302 WeakPolarHBondContact CE1-O 3.35Å; V300-P302 CarbonylContact C-O 3.57Å; V300-P302 CarbonylContact O-C 3.57Å; V300-P302 VanDerWaalsContact O-C 3.24Å; P302-I304 PolarHBondContact O-N 3.37Å |
| 303 | P | 89.5 | Confident | 87.8 | Confident | 81 Ų | 81 | 66.8 Ų | 66.8 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | trans | -60.5 | 137.6 | 176.2 | 24.4 | -33.9 | 0 | 0 | 0 | 111 | Q305 | P303-Q305 PolarHBondContact O-N 3.49Š| ||
| 304 | I | 90.8 | Very high | 87.6 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | trans | -72.7 | 110.8 | -179.4 | -57.3 | 171.2 | 0 | 0 | 0 | 108.6 | F265 Y282 V300 P302 Y324 M340 A345 I365 L381 | F265-I304 HydrophobicContact CD1-CG2 4.42Å; F265-I304 HydrophobicContact CE1-CG2 3.97Å; Y282-I304 HydrophobicContact CD1-CG1 3.91Å; Y282-I304 HydrophobicContact CD2-CG1 4.29Å; Y282-I304 HydrophobicContact CE1-CB 4.46Å; Y282-I304 HydrophobicContact CE1-CG1 4.08Å; Y282-I304 HydrophobicContact CE2-CG1 4.45Å; Y282-I304 HydrophobicContact CG-CG1 4.01Å; V300-I304 HydrophobicContact CB-CD1 4.44Å; V300-I304 HydrophobicContact CB-CG1 4.33Å; V300-I304 HydrophobicContact CG1-CD1 4.09Å; V300-I304 HydrophobicContact CG1-CG1 3.89Å; V300-I304 HydrophobicContact CG2-CD1 4.24Å; P302-I304 PolarHBondContact O-N 3.37Å; I304-Y324 HydrophobicContact CG2-CD1 4.32Å; I304-Y324 HydrophobicContact CG2-CE1 4.37Å; I304-M340 HydrophobicContact CD1-SD 4.37Å; I304-A345 HydrophobicContact CB-CB 3.92Å; I304-A345 HydrophobicContact CG2-CB 3.68Å; I304-I365 HydrophobicContact CD1-CD1 3.98Å; I304-I365 HydrophobicContact CG1-CD1 4.23Å; I304-I365 HydrophobicContact CG2-CD1 3.67Å; I304-L381 HydrophobicContact CD1-CD2 4.43Å | ||
| 305 | Q | 90.1 | Very high | 87.8 | Confident | 106 Ų | 106 | 60.4 Ų | 60.4 | 50% | 0.495 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 142.8 | 177.2 | -66.7 | -178.5 | -9 | 0 | 0 | 109 | F265 L266 P303 | F265-Q305 CarbonylContact C-O 3.56Å; F265-Q305 WeakPolarHBondContact CA-O 3.41Å; L266-Q305 HydrophobicContact CB-CB 4.38Å; L266-Q305 PolarHBondContact N-O 2.93Å; P303-Q305 PolarHBondContact O-N 3.49Å |
| 306 | A | 89.9 | Confident | 87.5 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 149.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | M264 F265 I322 Y324 A367 | M264-A306 CarbonylContact O-C 3.58Å; M264-A306 WeakPolarHBondContact O-CA 3.19Å; M264-A306 WeakPolarHBondContact O-CB 3.16Å; F265-A306 HydrophobicContact CD1-CB 3.95Å; F265-A306 HydrophobicContact CE1-CB 4.24Å; F265-A306 HydrophobicContact CG-CB 4.39Å; A306-I322 HydrophobicContact CB-CD1 4.26Å; A306-I322 HydrophobicContact CB-CG2 4.21Å; A306-I322 VanDerWaalsContact O-CD1 3.23Å; A306-I322 WeakPolarHBondContact O-CD1 3.45Å; A306-Y324 HydrophobicContact CB-CE1 3.78Å; A306-Y324 PolarHBondContact N-OH 2.85Å; A306-Y324 PolarHBondContact O-OH 3.24Å; A306-A367 HydrophobicContact CB-CB 4Å |
| 307 | I | 88.2 | Confident | 87.3 | Confident | 77 Ų | 77 | 65 Ų | 65 | 40% | 0.395 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149.7 | 175.4 | 60.3 | 168.7 | 0 | 0 | 0 | 109.7 | P263 M264 L266 | P263-I307 CarbonylContact C-O 3.55Å; P263-I307 WeakPolarHBondContact CA-O 3.43Å; M264-I307 HydrophobicContact CE-CD1 4.15Å; M264-I307 HydrophobicContact CE-CG1 4.16Å; M264-I307 PolarHBondContact N-O 2.86Å; M264-I307 PolarHBondContact O-N 2.91Å; L266-I307 HydrophobicContact CD1-CD1 4.28Å; L266-I307 HydrophobicContact CD1-CG1 4.2Å; L266-I307 HydrophobicContact CD1-CG2 3.83Å; L266-I307 HydrophobicContact CD2-CD1 4.31Å; L266-I307 HydrophobicContact CD2-CG1 4.32Å; L266-I307 HydrophobicContact CG-CG1 4.33Å |
| 308 | D | 87.8 | Confident | 87 | Confident | 7 Ų | 7 | 66.3 Ų | 66.3 | 4% | 0.037 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 132.6 | 169.6 | 173.3 | 18.4 | 0 | 0 | 0 | 109.2 | D310 R319 | D308-D310 VanDerWaalsContact C-N 3.31Å; D308-D310 PolarHBondContact OD1-N 2.86Å; D308-D310 VanDerWaalsContact OD1-N 3.14Å; D308-R319 PolarHBondContact O-NH2 3.29Å; D308-R319 IonicContact OD2-NE 3.71Å; D308-R319 PolarHBondContact OD2-NE 2.92Å |
| 309 | Q | 86 | Confident | 86.8 | Confident | 67 Ų | 67 | 71.5 Ų | 71.5 | 31% | 0.313 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -77.7 | -18.5 | -176 | -71.9 | -178.1 | -67.5 | 0 | 0 | 112.8 | L261 G262 M264 | L261-Q309 HydrophobicContact CB-CB 3.64Å; L261-Q309 HydrophobicContact CD1-CB 3.89Å; L261-Q309 HydrophobicContact CG-CB 4.41Å; G262-Q309 WeakPolarHBondContact O-CB 3.48Å; G262-Q309 WeakPolarHBondContact O-CG 3.42Å; G262-Q309 PolarHBondContact O-N 2.95Å; G262-Q309 PolarHBondContact O-OE1 3.48Å; G262-Q309 VanDerWaalsContact O-OE1 3.1Å; M264-Q309 HydrophobicContact CB-CG 3.58Å; M264-Q309 HydrophobicContact SD-CG 4.29Å |
| 310 | D | 88.4 | Confident | 86.5 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | trans | -69.5 | 138 | 174.9 | -60 | -42.4 | 0 | 0 | 0 | 110.6 | D259 L261 D308 I313 R319 | D259-D310 WeakPolarHBondContact CA-OD2 3.16Å; L261-D310 VanDerWaalsContact CB-OD1 3.23Å; L261-D310 WeakPolarHBondContact CB-OD1 3.35Å; L261-D310 VanDerWaalsContact CG-OD1 3.25Å; L261-D310 WeakPolarHBondContact CG-OD1 3.26Å; L261-D310 PolarHBondContact N-OD1 2.94Å; D308-D310 VanDerWaalsContact C-N 3.31Å; D308-D310 PolarHBondContact OD1-N 2.86Å; D308-D310 VanDerWaalsContact OD1-N 3.14Å; D310-I313 HydrophobicContact CB-CD1 3.7Å; D310-I313 HydrophobicContact CB-CG1 3.93Å; D310-R319 PolarHBondContact O-NH2 3.15Å; D310-R319 VanDerWaalsContact O-NH2 3.16Å | ||
| 311 | R | 83.5 | Confident | 86.4 | Confident | 154 Ų | 154 | 65.2 Ų | 65.2 | 58% | 0.581 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -86 | -35.7 | -164 | -73.5 | -177.8 | 176.4 | 160.7 | 9 | 113.4 | Y222 E223 D257 | Y222-R311 HydrophobicContact CE1-CB 4.14Å; E223-R311 PolarHBondContact O-NH1 3.33Å; D257-R311 PolarHBondContact OD2-N 3.31Å; D257-R311 VanDerWaalsContact OD2-N 3.09Å |
| 312 | N | 85.2 | Confident | 86.7 | Confident | 70 Ų | 70 | 61.6 Ų | 61.6 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | trans | -162.2 | 52.9 | -164.7 | -169.8 | 36.4 | 0 | 0 | 0 | 113.5 | Y222 D257 Q314 | Y222-N312 HydrophobicContact CE1-CB 4.08Å; Y222-N312 WeakPolarHBondContact OH-CB 3.39Å; Y222-N312 PolarHBondContact OH-ND2 3Å; D257-N312 WeakPolarHBondContact CB-O 3.12Å; D257-N312 WeakPolarHBondContact OD2-CA 3.37Å; D257-N312 PolarHBondContact OD2-N 2.91Å; N312-Q314 PolarHBondContact O-N 2.86Å; N312-Q314 PolarHBondContact OD1-NE2 3.01Å | ||
| 313 | I | 85.8 | Confident | 86.9 | Confident | 16 Ų | 16 | 62.2 Ų | 62.2 | 8% | 0.082 | 33% | 0.331 | C | S | . | . | trans | -59.6 | 127.1 | 168.1 | -61.6 | 169.9 | 0 | 0 | 0 | 109.4 | D259 D310 D318 | D259-I313 HydrophobicContact CB-CD1 3.94Å; D310-I313 HydrophobicContact CB-CD1 3.7Å; D310-I313 HydrophobicContact CB-CG1 3.93Å; I313-D318 HydrophobicContact CG2-CB 4.11Å | ||
| 314 | Q | 81.1 | Confident | 87.1 | Confident | 108 Ų | 108 | 59.4 Ų | 59.4 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -124.3 | 137.7 | -177.1 | -71.3 | -66.9 | -30.9 | 0 | 0 | 111.4 | N312 | N312-Q314 PolarHBondContact O-N 2.86Å; N312-Q314 PolarHBondContact OD1-NE2 3.01Å |
| 315 | P | 86.7 | Confident | 87.2 | Confident | 62 Ų | 62 | 60.9 Ų | 60.9 | 40% | 0.403 | 32% | 0.321 | S | S | . | . | S | Bend | cis | -68.1 | 162.6 | -3.8 | 29.6 | -36.3 | 0 | 0 | 0 | 112.9 | S317 D318 | P315-S317 WeakPolarHBondContact CG-OG 3.39Å; P315-S317 PolarHBondContact O-N 2.93Å; P315-D318 PolarHBondContact O-N 2.92Å |
| 316 | P | 80.6 | Confident | 87.4 | Confident | 96 Ų | 96 | 57.2 Ų | 57.2 | 62% | 0.623 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -60.1 | -18 | -178.2 | -23.6 | 35.2 | 0 | 0 | 0 | 114.4 | D318 R319 | P316-D318 PolarHBondContact O-N 3.25Å; P316-R319 WeakPolarHBondContact O-CB 3.09Å; P316-R319 PolarHBondContact O-N 2.79Å |
| 317 | S | 84.1 | Confident | 87.4 | Confident | 96 Ų | 96 | 60.9 Ų | 60.9 | 67% | 0.671 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -67.8 | -21.3 | 174.2 | 55.6 | 0 | 0 | 0 | 0 | 114 | P315 R319 | P315-S317 WeakPolarHBondContact CG-OG 3.39Å; P315-S317 PolarHBondContact O-N 2.93Å; S317-R319 VanDerWaalsContact C-N 3.31Å |
| 318 | D | 82.9 | Confident | 87.6 | Confident | 102 Ų | 102 | 61.1 Ų | 61.1 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -90.9 | -4 | -178.1 | -66 | 8.7 | 0 | 0 | 0 | 111.1 | I313 P315 P316 | I313-D318 HydrophobicContact CG2-CB 4.11Å; P315-D318 PolarHBondContact O-N 2.92Å; P316-D318 PolarHBondContact O-N 3.25Å |
| 319 | R | 85.4 | Confident | 87.7 | Confident | 120 Ų | 120 | 61.4 Ų | 61.4 | 45% | 0.453 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -69.5 | 123.2 | 175.3 | -166.2 | 177.4 | -166.8 | 175.3 | 6.3 | 109.7 | D308 D310 P316 S317 | D308-R319 PolarHBondContact O-NH2 3.29Å; D308-R319 IonicContact OD2-NE 3.71Å; D308-R319 PolarHBondContact OD2-NE 2.92Å; D310-R319 PolarHBondContact O-NH2 3.15Å; D310-R319 VanDerWaalsContact O-NH2 3.16Å; P316-R319 WeakPolarHBondContact O-CB 3.09Å; P316-R319 PolarHBondContact O-N 2.79Å; S317-R319 VanDerWaalsContact C-N 3.31Å |
| 320 | P | 86.2 | Confident | 87.9 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 8% | 0.078 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 142.6 | -176.6 | 24.1 | -30.9 | 0 | 0 | 0 | 112.2 | Q369 D370 N371 | P320-Q369 HydrophobicContact CB-CB 3.91Å; P320-Q369 HydrophobicContact CB-CG 4Å; P320-Q369 HydrophobicContact CG-CB 4.36Å; P320-Q369 HydrophobicContact CG-CG 3.97Å; P320-D370 WeakPolarHBondContact CA-OD1 3.21Å; P320-N371 HydrophobicContact CB-CB 4.35Å |
| 321 | G | 88.6 | Confident | 88 | Confident | 29 Ų | 29 | 64 Ų | 64 | 30% | 0.299 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 158.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q369 D370 | G321-Q369 CarbonylContact O-C 3.56Å; G321-Q369 WeakPolarHBondContact O-CA 3.15Å; G321-D370 WeakPolarHBondContact CA-OD2 3.19Å; G321-D370 PolarHBondContact N-OD1 3.04Å; G321-D370 PolarHBondContact N-OD2 2.96Å; G321-D370 PolarHBondContact O-N 3.08Å |
| 322 | I | 91.2 | Very high | 88.2 | Confident | 28 Ų | 28 | 65.3 Ų | 65.3 | 14% | 0.144 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 129.5 | 179.1 | -60.2 | 169.8 | 0 | 0 | 0 | 109.9 | P263 A306 Y324 A367 E368 | P263-I322 HydrophobicContact CB-CD1 4.04Å; P263-I322 HydrophobicContact CB-CG1 4.23Å; P263-I322 HydrophobicContact CB-CG2 4.4Å; A306-I322 HydrophobicContact CB-CD1 4.26Å; A306-I322 HydrophobicContact CB-CG2 4.21Å; A306-I322 VanDerWaalsContact O-CD1 3.23Å; A306-I322 WeakPolarHBondContact O-CD1 3.45Å; I322-Y324 HydrophobicContact CB-CE2 4.48Å; I322-Y324 HydrophobicContact CG2-CE1 4.16Å; I322-Y324 HydrophobicContact CG2-CE2 4.04Å; I322-A367 HydrophobicContact CG2-CB 3.97Å; I322-E368 CarbonylContact C-O 3.58Å; I322-E368 WeakPolarHBondContact CA-O 3.45Å |
| 323 | L | 92.8 | Very high | 88.4 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 28% | 0.277 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.6 | 176.3 | -62.2 | 175.9 | 0 | 0 | 0 | 110.5 | P342 R343 A367 E368 D370 | L323-P342 CarbonylContact C-O 3.53Å; L323-P342 VanDerWaalsContact CA-O 3.29Å; L323-P342 WeakPolarHBondContact CA-O 3.32Å; L323-R343 HydrophobicContact CD2-CG 4.37Å; L323-A367 WeakPolarHBondContact O-CA 3.24Å; L323-E368 HydrophobicContact CB-CG 4.05Å; L323-E368 PolarHBondContact N-O 3.36Å; L323-E368 PolarHBondContact O-N 3.49Å; L323-D370 HydrophobicContact CD1-CB 4.02Å; L323-D370 HydrophobicContact CG-CB 4.15Å |
| 324 | Y | 94.2 | Very high | 88.7 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 9% | 0.086 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 138 | 177.9 | -56.9 | -89.1 | 0 | 0 | 0 | 110.4 | F265 I304 A306 I322 P342 A345 K366 A367 | F265-Y324 HydrophobicContact CE1-CD1 4.08Å; F265-Y324 AromaticContact CE1-CE1 3.97Å; F265-Y324 HydrophobicContact CE1-CE1 3.97Å; I304-Y324 HydrophobicContact CG2-CD1 4.32Å; I304-Y324 HydrophobicContact CG2-CE1 4.37Å; A306-Y324 HydrophobicContact CB-CE1 3.78Å; A306-Y324 PolarHBondContact N-OH 2.85Å; A306-Y324 PolarHBondContact O-OH 3.24Å; I322-Y324 HydrophobicContact CB-CE2 4.48Å; I322-Y324 HydrophobicContact CG2-CE1 4.16Å; I322-Y324 HydrophobicContact CG2-CE2 4.04Å; Y324-P342 PolarHBondContact N-O 3.45Å; Y324-P342 WeakPolarHBondContact O-CA 3.28Å; Y324-A345 HydrophobicContact CD1-CB 3.8Å; Y324-A345 HydrophobicContact CD2-CB 3.78Å; Y324-A345 HydrophobicContact CE1-CB 4.06Å; Y324-A345 HydrophobicContact CE2-CB 4.05Å; Y324-A345 HydrophobicContact CG-CB 3.64Å; Y324-K366 WeakPolarHBondContact CA-O 3.48Å; Y324-A367 HydrophobicContact CD1-CB 4.28Å; Y324-A367 HydrophobicContact CE1-CB 4.31Å |
| 325 | S | 93.1 | Very high | 89.3 | Confident | 44 Ų | 44 | 63.7 Ų | 63.7 | 31% | 0.308 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 154.6 | 173.1 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | M340 I365 K366 | S325-M340 VanDerWaalsContact CA-CE 3.41Å; S325-M340 VanDerWaalsContact N-CE 3.26Å; S325-M340 VanDerWaalsContact O-CE 3.32Å; S325-M340 WeakPolarHBondContact O-CE 3.41Å; S325-I365 CarbonylContact O-C 3.43Å; S325-I365 WeakPolarHBondContact O-CA 3.27Å; S325-K366 PolarHBondContact N-O 3.27Å; S325-K366 PolarHBondContact O-N 3.17Å |
| 326 | I | 93.2 | Very high | 89.5 | Confident | 29 Ų | 29 | 67 Ų | 67 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 114.3 | 170.3 | -52.6 | 168.4 | 0 | 0 | 0 | 106.9 | Y334 M340 L347 L363 I365 | I326-Y334 HydrophobicContact CB-CE2 3.89Å; I326-Y334 HydrophobicContact CD1-CD2 4.39Å; I326-Y334 HydrophobicContact CD1-CE2 4.1Å; I326-Y334 HydrophobicContact CG2-CD2 4.16Å; I326-Y334 HydrophobicContact CG2-CE2 3.37Å; I326-M340 HydrophobicContact CD1-CB 4.04Å; I326-M340 HydrophobicContact CG1-CB 3.96Å; I326-M340 HydrophobicContact CG1-CE 3.99Å; I326-L347 HydrophobicContact CD1-CD1 4.37Å; I326-L363 HydrophobicContact CD1-CD1 4.24Å; I326-L363 HydrophobicContact CG2-CB 4.13Å; I326-L363 HydrophobicContact CG2-CD1 4.45Å; I326-I365 HydrophobicContact CG1-CG2 4.33Å |
| 327 | L | 90.8 | Very high | 90.1 | Very high | 86 Ų | 86 | 62.7 Ų | 62.7 | 45% | 0.45 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -53.6 | -175.4 | 179.7 | 68.2 | 0 | 0 | 0 | 111.7 | V364 K366 F378 | L327-V364 WeakPolarHBondContact CB-O 3.27Å; L327-V364 PolarHBondContact N-O 2.71Å; L327-K366 HydrophobicContact CB-CB 4.4Å; L327-F378 HydrophobicContact CD2-CD1 4.08Å; L327-F378 HydrophobicContact CD2-CE1 3.8Å |
| 328 | V | 91.9 | Very high | 90.5 | Very high | 82 Ų | 82 | 58.3 Ų | 58.3 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 157.3 | -179.9 | -71.3 | 0 | 0 | 0 | 0 | 109.3 | V364 | V328-V364 HydrophobicContact CG2-CB 3.94Å; V328-V364 HydrophobicContact CG2-CG2 4Å; V328-V364 PolarHBondContact O-N 2.87Å |
| 329 | G | 90.8 | Very high | 91 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 13% | 0.134 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 156.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P331 Y334 D362 | G329-P331 CarbonylContact C-O 3.41Å; G329-P331 CarbonylContact O-C 3.59Å; G329-Y334 VanDerWaalsContact N-CE1 3.34Å; G329-D362 CarbonylContact C-O 3.52Å; G329-D362 VanDerWaalsContact CA-O 3.23Å; G329-D362 WeakPolarHBondContact CA-O 3.32Å |
| 330 | T | 89.8 | Confident | 91.4 | Very high | 84 Ų | 84 | 52.8 Ų | 52.8 | 52% | 0.515 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.7 | 169.7 | 56.5 | 0 | 0 | 0 | 0 | 109.7 | F361 D362 | T330-F361 WeakPolarHBondContact O-CA 3.26Å; T330-D362 PolarHBondContact N-O 3.3Å; T330-D362 PolarHBondContact O-N 2.83Å; T330-D362 WeakPolarHBondContact OG1-CB 3.3Å |
| 331 | P | 90.4 | Very high | 91.8 | Very high | 38 Ų | 38 | 56 Ų | 56 | 25% | 0.247 | 30% | 0.297 | C | S | . | . | S | Bend | cis | -66.4 | 162.4 | -4 | 33.1 | -41.4 | 0 | 0 | 0 | 113.5 | G329 D333 Y334 F361 | G329-P331 CarbonylContact C-O 3.41Å; G329-P331 CarbonylContact O-C 3.59Å; P331-D333 WeakPolarHBondContact CB-OD1 3.29Å; P331-D333 WeakPolarHBondContact CG-OD1 3.45Å; P331-D333 PolarHBondContact O-N 2.81Å; P331-Y334 WeakPolarHBondContact O-CD1 3.28Å; P331-Y334 PolarHBondContact O-N 2.81Å; P331-F361 VanDerWaalsContact CD-CD1 3.5Å; P331-F361 HydrophobicContact CG-CD1 3.91Å; P331-F361 HydrophobicContact CG-CE1 3.57Å; P331-F361 HydrophobicContact CG-CZ 4.3Å |
| 332 | E | 87.7 | Confident | 92 | Very high | 181 Ų | 181 | 57.3 Ų | 57.3 | 85% | 0.846 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.8 | -174.5 | -70 | -170.9 | 166.4 | 0 | 0 | 113.6 | Y334 P335 | E332-Y334 VanDerWaalsContact C-N 3.31Å; E332-P335 WeakPolarHBondContact O-CD 3.46Å |
| 333 | D | 90 | Very high | 91.9 | Very high | 59 Ų | 59 | 65.2 Ų | 65.2 | 32% | 0.316 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 10.1 | 179.1 | 67.8 | -30.6 | 0 | 0 | 0 | 113.8 | P331 P335 R336 H358 | P331-D333 WeakPolarHBondContact CB-OD1 3.29Å; P331-D333 WeakPolarHBondContact CG-OD1 3.45Å; P331-D333 PolarHBondContact O-N 2.81Å; D333-P335 WeakPolarHBondContact O-CD 3.5Å; D333-P335 VanDerWaalsContact O-N 3.08Å; D333-R336 VanDerWaalsContact O-CB 3.29Å; D333-R336 WeakPolarHBondContact O-CB 3.48Å; D333-R336 PolarHBondContact O-N 2.77Å; D333-H358 IonicContact OD1-NE2 3.15Å; D333-H358 IonicContact OD2-CE1 2.76Å; D333-H358 IonicContact OD2-NE2 2.92Å |
| 334 | Y | 92.1 | Very high | 91.8 | Very high | 30 Ų | 30 | 66 Ų | 66 | 12% | 0.118 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -46.8 | -33.6 | 171.7 | 80.6 | -92.8 | 0 | 0 | 0 | 115.5 | I326 G329 P331 E332 R336 F337 F338 L363 | I326-Y334 HydrophobicContact CB-CE2 3.89Å; I326-Y334 HydrophobicContact CD1-CD2 4.39Å; I326-Y334 HydrophobicContact CD1-CE2 4.1Å; I326-Y334 HydrophobicContact CG2-CD2 4.16Å; I326-Y334 HydrophobicContact CG2-CE2 3.37Å; G329-Y334 VanDerWaalsContact N-CE1 3.34Å; P331-Y334 WeakPolarHBondContact O-CD1 3.28Å; P331-Y334 PolarHBondContact O-N 2.81Å; E332-Y334 VanDerWaalsContact C-N 3.31Å; Y334-R336 PolarHBondContact O-N 2.72Å; Y334-R336 VanDerWaalsContact O-N 3.12Å; Y334-F337 PolarHBondContact O-N 2.75Å; Y334-F338 PolarHBondContact O-N 3.04Å; Y334-L363 HydrophobicContact CD1-CD2 4.08Å; Y334-L363 HydrophobicContact CD2-CD2 3.82Å; Y334-L363 HydrophobicContact CG-CD2 3.58Å |
| 335 | P | 92 | Very high | 91.6 | Very high | 71 Ų | 71 | 65.2 Ų | 65.2 | 46% | 0.461 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -65.6 | -16.1 | -179.9 | -20.3 | 34 | 0 | 0 | 0 | 113.3 | E332 D333 F337 | E332-P335 WeakPolarHBondContact O-CD 3.46Å; D333-P335 WeakPolarHBondContact O-CD 3.5Å; D333-P335 VanDerWaalsContact O-N 3.08Å; P335-F337 VanDerWaalsContact C-N 3.33Å |
| 336 | R | 91.1 | Very high | 91.5 | Very high | 133 Ų | 133 | 68 Ų | 68 | 50% | 0.502 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -73.1 | -29.1 | 173.1 | -162.3 | 177 | 76.8 | 164.5 | 8.2 | 111.9 | D333 Y334 L350 E351 | D333-R336 VanDerWaalsContact O-CB 3.29Å; D333-R336 WeakPolarHBondContact O-CB 3.48Å; D333-R336 PolarHBondContact O-N 2.77Å; Y334-R336 PolarHBondContact O-N 2.72Å; Y334-R336 VanDerWaalsContact O-N 3.12Å; R336-L350 WeakPolarHBondContact O-CB 3.36Å; R336-E351 IonicContact CZ-OE2 2.87Å; R336-E351 IonicContact NE-OE2 2.73Å; R336-E351 PolarHBondContact NE-OE2 2.88Å; R336-E351 IonicContact NH2-OE2 2.94Å |
| 337 | F | 92.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -38.7 | -174.7 | -57 | -74.9 | 0 | 0 | 0 | 112.7 | Y334 P335 L349 L350 E351 V353 H358 F361 | Y334-F337 PolarHBondContact O-N 2.75Å; P335-F337 VanDerWaalsContact C-N 3.33Å; F337-L349 CarbonylContact O-C 3.58Å; F337-L349 WeakPolarHBondContact O-CA 3.43Å; F337-L350 PolarHBondContact O-N 2.91Å; F337-E351 HydrophobicContact CD1-CB 4.1Å; F337-E351 HydrophobicContact CE1-CB 4.46Å; F337-V353 HydrophobicContact CB-CG2 4.11Å; F337-V353 HydrophobicContact CD1-CG2 3.64Å; F337-V353 HydrophobicContact CE1-CG2 4.25Å; F337-V353 HydrophobicContact CG-CG2 3.99Å; F337-H358 AromaticContact CE2-CE1 3.66Å; F337-H358 AromaticContact CE2-ND1 3.77Å; F337-H358 AromaticContact CZ-CE1 3.62Å; F337-H358 AromaticContact CZ-ND1 3.61Å; F337-F361 AromaticContact CD2-CE1 3.73Å; F337-F361 HydrophobicContact CD2-CE1 3.73Å; F337-F361 AromaticContact CD2-CZ 3.72Å; F337-F361 HydrophobicContact CD2-CZ 3.72Å; F337-F361 HydrophobicContact CE2-CE1 4.26Å; F337-F361 HydrophobicContact CE2-CZ 4.09Å; F337-F361 HydrophobicContact CG-CE1 4.47Å; F337-F361 HydrophobicContact CG-CZ 4.21Å |
| 338 | F | 94.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.8 | -171.2 | -58.7 | -73.8 | 0 | 0 | 0 | 112.5 | I286 I298 Y334 L347 T348 L349 V353 F361 I383 | I286-F338 HydrophobicContact CD1-CE1 3.58Å; I286-F338 HydrophobicContact CD1-CZ 4.06Å; I298-F338 HydrophobicContact CD1-CD1 3.66Å; I298-F338 HydrophobicContact CD1-CE1 3.67Å; Y334-F338 PolarHBondContact O-N 3.04Å; F338-L347 HydrophobicContact CB-CD1 4.22Å; F338-L347 HydrophobicContact CD1-CD2 4.46Å; F338-L347 HydrophobicContact CD1-CG 4.49Å; F338-T348 WeakPolarHBondContact CA-O 3.42Å; F338-L349 HydrophobicContact CD1-CD1 4.23Å; F338-L349 HydrophobicContact CE1-CD1 3.71Å; F338-L349 HydrophobicContact CZ-CD1 4.17Å; F338-V353 HydrophobicContact CZ-CG2 4.28Å; F338-F361 HydrophobicContact CD2-CD1 4.09Å; F338-F361 HydrophobicContact CD2-CE1 4.38Å; F338-F361 HydrophobicContact CD2-CG 4.21Å; F338-F361 HydrophobicContact CE2-CB 4.2Å; F338-F361 AromaticContact CE2-CD1 3.69Å; F338-F361 HydrophobicContact CE2-CD1 3.69Å; F338-F361 AromaticContact CE2-CD2 3.49Å; F338-F361 HydrophobicContact CE2-CD2 3.49Å; F338-F361 VanDerWaalsContact CE2-CD2 3.49Å; F338-F361 AromaticContact CE2-CE1 3.89Å; F338-F361 HydrophobicContact CE2-CE1 3.89Å; F338-F361 AromaticContact CE2-CE2 3.7Å; F338-F361 HydrophobicContact CE2-CE2 3.7Å; F338-F361 AromaticContact CE2-CG 3.51Å; F338-F361 HydrophobicContact CE2-CG 3.51Å; F338-F361 AromaticContact CE2-CZ 3.89Å; F338-F361 HydrophobicContact CE2-CZ 3.89Å; F338-F361 HydrophobicContact CZ-CD2 4.01Å; F338-F361 HydrophobicContact CZ-CE2 4.22Å; F338-F361 HydrophobicContact CZ-CG 4.38Å; F338-I383 HydrophobicContact CD1-CD1 3.93Å; F338-I383 HydrophobicContact CD2-CD1 4.14Å; F338-I383 HydrophobicContact CE1-CD1 3.82Å; F338-I383 HydrophobicContact CE1-CG2 4.35Å; F338-I383 HydrophobicContact CE2-CD1 4.05Å; F338-I383 HydrophobicContact CG-CD1 4.09Å; F338-I383 HydrophobicContact CZ-CD1 3.88Å; F338-I383 HydrophobicContact CZ-CG2 4.06Å |
| 339 | H | 93.5 | Very high | 91.7 | Very high | 94 Ų | 94 | 60.7 Ų | 60.7 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 138.5 | 171 | 178.3 | -90.2 | 0 | 0 | 0 | 109.6 | T348 L350 | H339-T348 PolarHBondContact N-O 3.33Å; H339-T348 PolarHBondContact O-N 2.88Å; H339-T348 PolarHBondContact O-OG1 3.4Å; H339-L350 HydrophobicContact CB-CD1 4.16Å; H339-L350 HydrophobicContact CB-CD2 4.17Å; H339-L350 HydrophobicContact CB-CG 4.22Å |
| 340 | M | 93.9 | Very high | 91.8 | Very high | 12 Ų | 12 | 64.2 Ų | 64.2 | 6% | 0.059 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128 | 176.4 | -172.9 | 171.1 | 60.9 | 0 | 0 | 109.7 | I304 S325 I326 E346 L347 I365 | I304-M340 HydrophobicContact CD1-SD 4.37Å; S325-M340 VanDerWaalsContact CA-CE 3.41Å; S325-M340 VanDerWaalsContact N-CE 3.26Å; S325-M340 VanDerWaalsContact O-CE 3.32Å; S325-M340 WeakPolarHBondContact O-CE 3.41Å; I326-M340 HydrophobicContact CD1-CB 4.04Å; I326-M340 HydrophobicContact CG1-CB 3.96Å; I326-M340 HydrophobicContact CG1-CE 3.99Å; M340-E346 WeakPolarHBondContact CA-O 3.33Å; M340-L347 HydrophobicContact CB-CD1 4.32Å; M340-I365 HydrophobicContact CE-CB 4.17Å; M340-I365 HydrophobicContact CE-CG2 3.92Å; M340-I365 HydrophobicContact SD-CG2 4.05Å |
| 341 | H | 93.6 | Very high | 91.8 | Very high | 79 Ų | 79 | 64.1 Ų | 64.1 | 37% | 0.366 | 31% | 0.312 | S | S | . | . | trans | -70.5 | 129.6 | -179.4 | -171.8 | -95.9 | 0 | 0 | 0 | 111 | R343 T344 A345 E346 | H341-R343 VanDerWaalsContact C-N 3.28Å; H341-R343 PolarHBondContact O-N 2.9Å; H341-R343 VanDerWaalsContact O-N 3.16Å; H341-T344 WeakPolarHBondContact CB-OG1 2.78Å; H341-T344 VanDerWaalsContact CG-OG1 3.29Å; H341-T344 PolarHBondContact ND1-N 3.26Å; H341-T344 PolarHBondContact ND1-OG1 3Å; H341-A345 WeakPolarHBondContact O-CA 3.32Å; H341-A345 PolarHBondContact O-N 3.07Å; H341-E346 HydrophobicContact CB-CB 4.32Å; H341-E346 PolarHBondContact N-O 3.17Å | ||
| 342 | P | 91.7 | Very high | 91.7 | Very high | 57 Ų | 57 | 65.2 Ų | 65.2 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -18.7 | -165.6 | 25 | -35 | 0 | 0 | 0 | 114.8 | L323 Y324 | L323-P342 CarbonylContact C-O 3.53Å; L323-P342 VanDerWaalsContact CA-O 3.29Å; L323-P342 WeakPolarHBondContact CA-O 3.32Å; Y324-P342 PolarHBondContact N-O 3.45Å; Y324-P342 WeakPolarHBondContact O-CA 3.28Å |
| 343 | R | 90.8 | Very high | 91.8 | Very high | 194 Ų | 194 | 56.8 Ų | 56.8 | 73% | 0.732 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | -30.6 | -179 | -65.3 | -176.9 | -179.9 | -140.4 | -3.6 | 114.3 | L323 H341 | L323-R343 HydrophobicContact CD2-CG 4.37Å; H341-R343 VanDerWaalsContact C-N 3.28Å; H341-R343 PolarHBondContact O-N 2.9Å; H341-R343 VanDerWaalsContact O-N 3.16Å |
| 344 | T | 89.7 | Confident | 91.5 | Very high | 69 Ų | 69 | 56 Ų | 56 | 42% | 0.423 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -11 | -174.5 | 56.4 | 0 | 0 | 0 | 0 | 112.6 | H341 E346 | H341-T344 WeakPolarHBondContact CB-OG1 2.78Å; H341-T344 VanDerWaalsContact CG-OG1 3.29Å; H341-T344 PolarHBondContact ND1-N 3.26Å; H341-T344 PolarHBondContact ND1-OG1 3Å; T344-E346 PolarHBondContact O-N 3.4Å; T344-E346 VanDerWaalsContact O-N 3.15Å; T344-E346 PolarHBondContact OG1-OE2 2.73Å |
| 345 | A | 89.7 | Confident | 91.2 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | trans | 57.9 | 17 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I304 Y324 H341 L347 | I304-A345 HydrophobicContact CB-CB 3.92Å; I304-A345 HydrophobicContact CG2-CB 3.68Å; Y324-A345 HydrophobicContact CD1-CB 3.8Å; Y324-A345 HydrophobicContact CD2-CB 3.78Å; Y324-A345 HydrophobicContact CE1-CB 4.06Å; Y324-A345 HydrophobicContact CE2-CB 4.05Å; Y324-A345 HydrophobicContact CG-CB 3.64Å; H341-A345 WeakPolarHBondContact O-CA 3.32Å; H341-A345 PolarHBondContact O-N 3.07Å; A345-L347 PolarHBondContact O-N 2.95Å | ||
| 346 | E | 91.7 | Very high | 90.4 | Very high | 103 Ų | 103 | 58 Ų | 58 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | trans | -70.5 | 126.3 | 177.2 | -71.5 | 165.6 | 153.5 | 0 | 0 | 110.1 | M340 H341 T344 | M340-E346 WeakPolarHBondContact CA-O 3.33Å; H341-E346 HydrophobicContact CB-CB 4.32Å; H341-E346 PolarHBondContact N-O 3.17Å; T344-E346 PolarHBondContact O-N 3.4Å; T344-E346 VanDerWaalsContact O-N 3.15Å; T344-E346 PolarHBondContact OG1-OE2 2.73Å | ||
| 347 | L | 93.8 | Very high | 90 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.9 | 178.8 | -171.8 | 73.6 | 0 | 0 | 0 | 109.5 | I298 V300 I326 F338 M340 A345 L381 I383 | I298-L347 HydrophobicContact CB-CB 4.27Å; I298-L347 HydrophobicContact CB-CD2 4.1Å; I298-L347 HydrophobicContact CB-CG 4.33Å; I298-L347 WeakPolarHBondContact CB-O 3.3Å; I298-L347 HydrophobicContact CD1-CD2 3.9Å; I298-L347 HydrophobicContact CD1-CG 3.89Å; I298-L347 HydrophobicContact CG2-CD2 4Å; I298-L347 PolarHBondContact N-O 3.04Å; V300-L347 HydrophobicContact CG2-CB 4.32Å; V300-L347 HydrophobicContact CG2-CD2 4.1Å; I326-L347 HydrophobicContact CD1-CD1 4.37Å; F338-L347 HydrophobicContact CB-CD1 4.22Å; F338-L347 HydrophobicContact CD1-CD2 4.46Å; F338-L347 HydrophobicContact CD1-CG 4.49Å; M340-L347 HydrophobicContact CB-CD1 4.32Å; A345-L347 PolarHBondContact O-N 2.95Å; L347-L381 HydrophobicContact CD1-CD2 4.31Å; L347-L381 HydrophobicContact CD2-CD2 3.93Å; L347-I383 HydrophobicContact CD2-CD1 3.89Å |
| 348 | T | 93.6 | Very high | 89.6 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 24% | 0.239 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.2 | 178.3 | 58 | 0 | 0 | 0 | 0 | 111.8 | N296 F338 H339 | N296-T348 WeakPolarHBondContact OD1-CA 3.41Å; N296-T348 WeakPolarHBondContact OD1-CB 3.41Å; F338-T348 WeakPolarHBondContact CA-O 3.42Å; H339-T348 PolarHBondContact N-O 3.33Å; H339-T348 PolarHBondContact O-N 2.88Å; H339-T348 PolarHBondContact O-OG1 3.4Å |
| 349 | L | 93.6 | Very high | 89.2 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 131.3 | 168.8 | -167.8 | 70.6 | 0 | 0 | 0 | 109.8 | P292 L295 N296 I298 F337 F338 E351 V353 | P292-L349 WeakPolarHBondContact CB-O 2.92Å; L295-L349 HydrophobicContact CD2-CB 4.21Å; L295-L349 HydrophobicContact CD2-CD2 3.87Å; N296-L349 PolarHBondContact ND2-O 3.37Å; N296-L349 PolarHBondContact OD1-N 2.92Å; I298-L349 HydrophobicContact CD1-CB 4.05Å; F337-L349 CarbonylContact O-C 3.58Å; F337-L349 WeakPolarHBondContact O-CA 3.43Å; F338-L349 HydrophobicContact CD1-CD1 4.23Å; F338-L349 HydrophobicContact CE1-CD1 3.71Å; F338-L349 HydrophobicContact CZ-CD1 4.17Å; L349-E351 VanDerWaalsContact CD1-O 3.3Å; L349-E351 WeakPolarHBondContact CD1-O 3.41Å; L349-E351 WeakPolarHBondContact CG-O 3.18Å; L349-V353 HydrophobicContact CD1-CG2 4.02Å |
| 350 | L | 91.3 | Very high | 89.1 | Confident | 87 Ų | 87 | 66.5 Ų | 66.5 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -98.8 | -43.1 | 177 | -61.9 | 178 | 0 | 0 | 0 | 111.9 | P292 R336 F337 H339 | P292-L350 WeakPolarHBondContact CG-O 3.44Å; R336-L350 WeakPolarHBondContact O-CB 3.36Å; F337-L350 PolarHBondContact O-N 2.91Å; H339-L350 HydrophobicContact CB-CD1 4.16Å; H339-L350 HydrophobicContact CB-CD2 4.17Å; H339-L350 HydrophobicContact CB-CG 4.22Å |
| 351 | E | 89.7 | Confident | 89.1 | Confident | 82 Ų | 82 | 65.9 Ų | 65.9 | 38% | 0.383 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -130.2 | 143.6 | -179.5 | -70.6 | -176.3 | -178 | 0 | 0 | 110 | R336 F337 L349 V353 | R336-E351 IonicContact CZ-OE2 2.87Å; R336-E351 IonicContact NE-OE2 2.73Å; R336-E351 PolarHBondContact NE-OE2 2.88Å; R336-E351 IonicContact NH2-OE2 2.94Å; F337-E351 HydrophobicContact CD1-CB 4.1Å; F337-E351 HydrophobicContact CE1-CB 4.46Å; L349-E351 VanDerWaalsContact CD1-O 3.3Å; L349-E351 WeakPolarHBondContact CD1-O 3.41Å; L349-E351 WeakPolarHBondContact CG-O 3.18Å; E351-V353 PolarHBondContact O-N 2.8Å |
| 352 | P | 89.5 | Confident | 89 | Confident | 61 Ų | 61 | 64.8 Ų | 64.8 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 135.2 | 172.4 | -21.7 | 31.6 | 0 | 0 | 0 | 111.2 | R290 | R290-P352 WeakPolarHBondContact O-CB 3.39Š|
| 353 | V | 89.3 | Confident | 89.2 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 129.1 | 177 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | E288 L289 F337 F338 L349 E351 H358 F361 I385 | E288-V353 WeakPolarHBondContact CA-O 3.31Å; L289-V353 PolarHBondContact N-O 2.86Å; F337-V353 HydrophobicContact CB-CG2 4.11Å; F337-V353 HydrophobicContact CD1-CG2 3.64Å; F337-V353 HydrophobicContact CE1-CG2 4.25Å; F337-V353 HydrophobicContact CG-CG2 3.99Å; F338-V353 HydrophobicContact CZ-CG2 4.28Å; L349-V353 HydrophobicContact CD1-CG2 4.02Å; E351-V353 PolarHBondContact O-N 2.8Å; V353-H358 HydrophobicContact CG1-CB 4Å; V353-F361 HydrophobicContact CG1-CE2 3.91Å; V353-F361 HydrophobicContact CG1-CZ 4.33Å; V353-F361 HydrophobicContact CG2-CE2 4.29Å; V353-F361 HydrophobicContact CG2-CZ 4.47Å; V353-I385 HydrophobicContact CB-CD1 4.16Å; V353-I385 HydrophobicContact CG1-CD1 3.88Å; V353-I385 HydrophobicContact CG1-CG1 3.8Å; V353-I385 HydrophobicContact CG1-CG2 4.27Å; V353-I385 HydrophobicContact CG2-CD1 4.47Å |
| 354 | N | 84.7 | Confident | 89.2 | Confident | 43 Ų | 43 | 55 Ų | 55 | 23% | 0.23 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 126.1 | 170.7 | 176.3 | -40.5 | 0 | 0 | 0 | 108.5 | L289 D356 F357 H358 | L289-N354 HydrophobicContact CD2-CB 3.87Å; N354-D356 VanDerWaalsContact C-N 3.27Å; N354-D356 PolarHBondContact O-N 2.88Å; N354-D356 WeakPolarHBondContact OD1-CA 3.42Å; N354-D356 WeakPolarHBondContact OD1-CB 3.2Å; N354-D356 PolarHBondContact OD1-N 2.8Å; N354-D356 PolarHBondContact OD1-OD2 2.77Å; N354-F357 HydrophobicContact CB-CD2 3.96Å; N354-F357 PolarHBondContact O-N 2.77Å; N354-H358 PolarHBondContact O-N 2.75Å; N354-H358 VanDerWaalsContact O-N 3.14Å |
| 355 | R | 84.4 | Confident | 89.4 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 21% | 0.208 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -31.5 | -175.3 | -176.5 | -178.3 | 172 | -114.6 | 8.9 | 112.7 | E288 F357 H358 Q359 I385 D387 D432 | E288-R355 HydrophobicContact CB-CB 4.04Å; E288-R355 HydrophobicContact CG-CB 4.46Å; E288-R355 WeakPolarHBondContact OE2-CB 3.43Å; E288-R355 PolarHBondContact OE2-N 2.89Å; R355-F357 PolarHBondContact O-N 2.84Å; R355-F357 VanDerWaalsContact O-N 3.17Å; R355-H358 CarbonylContact O-C 3.59Å; R355-H358 PolarHBondContact O-N 3.19Å; R355-Q359 HydrophobicContact CG-CG 4.34Å; R355-Q359 WeakPolarHBondContact O-CG 3.31Å; R355-Q359 PolarHBondContact O-N 3.4Å; R355-I385 HydrophobicContact CB-CG2 3.97Å; R355-I385 HydrophobicContact CG-CG2 4.38Å; R355-D387 VanDerWaalsContact CD-CA 3.47Å; R355-D387 WeakPolarHBondContact CD-OD1 3.25Å; R355-D387 IonicContact CZ-OD1 3.87Å; R355-D387 VanDerWaalsContact CZ-OD1 3.24Å; R355-D387 IonicContact CZ-OD2 2.63Å; R355-D387 IonicContact NE-OD1 3.07Å; R355-D387 IonicContact NH1-OD1 3.52Å; R355-D387 PolarHBondContact NH1-OD1 3.29Å; R355-D387 IonicContact NH1-OD2 3.21Å; R355-D387 PolarHBondContact NH1-OD2 3.04Å; R355-D387 IonicContact NH2-OD2 3.89Å; R355-D432 PolarHBondContact NH1-O 2.9Å |
| 356 | D | 76 | Confident | 89.5 | Confident | 89 Ų | 89 | 53.5 Ų | 53.5 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -30.7 | 179.4 | -63.6 | -28.1 | 0 | 0 | 0 | 112.5 | N354 | N354-D356 VanDerWaalsContact C-N 3.27Å; N354-D356 PolarHBondContact O-N 2.88Å; N354-D356 WeakPolarHBondContact OD1-CA 3.42Å; N354-D356 WeakPolarHBondContact OD1-CB 3.2Å; N354-D356 PolarHBondContact OD1-N 2.8Å; N354-D356 PolarHBondContact OD1-OD2 2.77Å |
| 357 | F | 82 | Confident | 89.5 | Confident | 155 Ų | 155 | 48.6 Ų | 48.6 | 68% | 0.68 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -39.1 | 178.8 | -61.4 | -82 | 0 | 0 | 0 | 111.8 | N354 R355 | N354-F357 HydrophobicContact CB-CD2 3.96Å; N354-F357 PolarHBondContact O-N 2.77Å; R355-F357 PolarHBondContact O-N 2.84Å; R355-F357 VanDerWaalsContact O-N 3.17Å |
| 358 | H | 85.8 | Confident | 89.4 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | trans | -137.2 | 97 | -173.7 | -54.9 | 115.4 | 0 | 0 | 0 | 111 | D333 F337 V353 N354 R355 F361 I385 | D333-H358 IonicContact OD1-NE2 3.15Å; D333-H358 IonicContact OD2-CE1 2.76Å; D333-H358 IonicContact OD2-NE2 2.92Å; F337-H358 AromaticContact CE2-CE1 3.66Å; F337-H358 AromaticContact CE2-ND1 3.77Å; F337-H358 AromaticContact CZ-CE1 3.62Å; F337-H358 AromaticContact CZ-ND1 3.61Å; V353-H358 HydrophobicContact CG1-CB 4Å; N354-H358 PolarHBondContact O-N 2.75Å; N354-H358 VanDerWaalsContact O-N 3.14Å; R355-H358 CarbonylContact O-C 3.59Å; R355-H358 PolarHBondContact O-N 3.19Å; H358-F361 HydrophobicContact CB-CE2 3.64Å; H358-F361 HydrophobicContact CB-CZ 3.57Å; H358-F361 AromaticContact CG-CZ 3.76Å; H358-I385 VanDerWaalsContact O-CG1 3.26Å; H358-I385 WeakPolarHBondContact O-CG1 3.41Å | ||
| 359 | Q | 85.5 | Confident | 89.3 | Confident | 116 Ų | 116 | 50 Ų | 50 | 54% | 0.542 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -75.2 | -27.6 | 177.7 | -65.3 | 178.7 | -6.9 | 0 | 0 | 112.9 | R355 I385 | R355-Q359 HydrophobicContact CG-CG 4.34Å; R355-Q359 WeakPolarHBondContact O-CG 3.31Å; R355-Q359 PolarHBondContact O-N 3.4Å; Q359-I385 PolarHBondContact O-N 3.2Å |
| 360 | K | 90.2 | Very high | 89 | Confident | 106 Ų | 106 | 54.2 Ų | 54.2 | 46% | 0.461 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 156 | -177.8 | 65.7 | 179.9 | -169.4 | 135.3 | 0 | 112.6 | D362 I383 | K360-D362 IonicContact NZ-OD2 3.21Å; K360-D362 PolarHBondContact NZ-OD2 3.15Å; K360-I383 CarbonylContact C-O 3.46Å; K360-I383 WeakPolarHBondContact CA-O 3.18Å |
| 361 | F | 94.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.1 | 169.7 | -62.3 | -103.7 | 0 | 0 | 0 | 110 | T330 P331 F337 F338 V353 H358 L363 I383 I385 | T330-F361 WeakPolarHBondContact O-CA 3.26Å; P331-F361 VanDerWaalsContact CD-CD1 3.5Å; P331-F361 HydrophobicContact CG-CD1 3.91Å; P331-F361 HydrophobicContact CG-CE1 3.57Å; P331-F361 HydrophobicContact CG-CZ 4.3Å; F337-F361 AromaticContact CD2-CE1 3.73Å; F337-F361 HydrophobicContact CD2-CE1 3.73Å; F337-F361 AromaticContact CD2-CZ 3.72Å; F337-F361 HydrophobicContact CD2-CZ 3.72Å; F337-F361 HydrophobicContact CE2-CE1 4.26Å; F337-F361 HydrophobicContact CE2-CZ 4.09Å; F337-F361 HydrophobicContact CG-CE1 4.47Å; F337-F361 HydrophobicContact CG-CZ 4.21Å; F338-F361 HydrophobicContact CD2-CD1 4.09Å; F338-F361 HydrophobicContact CD2-CE1 4.38Å; F338-F361 HydrophobicContact CD2-CG 4.21Å; F338-F361 HydrophobicContact CE2-CB 4.2Å; F338-F361 AromaticContact CE2-CD1 3.69Å; F338-F361 HydrophobicContact CE2-CD1 3.69Å; F338-F361 AromaticContact CE2-CD2 3.49Å; F338-F361 HydrophobicContact CE2-CD2 3.49Å; F338-F361 VanDerWaalsContact CE2-CD2 3.49Å; F338-F361 AromaticContact CE2-CE1 3.89Å; F338-F361 HydrophobicContact CE2-CE1 3.89Å; F338-F361 AromaticContact CE2-CE2 3.7Å; F338-F361 HydrophobicContact CE2-CE2 3.7Å; F338-F361 AromaticContact CE2-CG 3.51Å; F338-F361 HydrophobicContact CE2-CG 3.51Å; F338-F361 AromaticContact CE2-CZ 3.89Å; F338-F361 HydrophobicContact CE2-CZ 3.89Å; F338-F361 HydrophobicContact CZ-CD2 4.01Å; F338-F361 HydrophobicContact CZ-CE2 4.22Å; F338-F361 HydrophobicContact CZ-CG 4.38Å; V353-F361 HydrophobicContact CG1-CE2 3.91Å; V353-F361 HydrophobicContact CG1-CZ 4.33Å; V353-F361 HydrophobicContact CG2-CE2 4.29Å; V353-F361 HydrophobicContact CG2-CZ 4.47Å; H358-F361 HydrophobicContact CB-CE2 3.64Å; H358-F361 HydrophobicContact CB-CZ 3.57Å; H358-F361 AromaticContact CG-CZ 3.76Å; F361-L363 HydrophobicContact CB-CD2 4.26Å; F361-L363 HydrophobicContact CB-CG 4.34Å; F361-I383 HydrophobicContact CB-CB 4.12Å; F361-I383 HydrophobicContact CB-CD1 4.38Å; F361-I383 HydrophobicContact CB-CG1 4.49Å; F361-I383 PolarHBondContact N-O 2.91Å; F361-I383 PolarHBondContact O-N 2.85Å; F361-I385 HydrophobicContact CD2-CD1 4.37Å; F361-I385 HydrophobicContact CD2-CG1 4.42Å; F361-I385 HydrophobicContact CE2-CD1 4.29Å; F361-I385 HydrophobicContact CE2-CG1 4.25Å |
| 362 | D | 93 | Very high | 88.1 | Confident | 56 Ų | 56 | 53 Ų | 53 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 104 | 175 | -77.4 | -57.2 | 0 | 0 | 0 | 107.8 | G329 T330 K360 H382 | G329-D362 CarbonylContact C-O 3.52Å; G329-D362 VanDerWaalsContact CA-O 3.23Å; G329-D362 WeakPolarHBondContact CA-O 3.32Å; T330-D362 PolarHBondContact N-O 3.3Å; T330-D362 PolarHBondContact O-N 2.83Å; T330-D362 WeakPolarHBondContact OG1-CB 3.3Å; K360-D362 IonicContact NZ-OD2 3.21Å; K360-D362 PolarHBondContact NZ-OD2 3.15Å; D362-H382 IonicContact OD1-CE1 3.04Å; D362-H382 PolarHBondContact OD1-CE1 2.63Å; D362-H382 IonicContact OD1-CG 3.95Å; D362-H382 IonicContact OD1-ND1 3.86Å; D362-H382 PolarHBondContact OD1-ND1 3.28Å |
| 363 | L | 94.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 150.4 | -175 | -51.3 | -177.2 | 0 | 0 | 0 | 110.9 | I326 Y334 F361 S380 L381 I383 | I326-L363 HydrophobicContact CD1-CD1 4.24Å; I326-L363 HydrophobicContact CG2-CB 4.13Å; I326-L363 HydrophobicContact CG2-CD1 4.45Å; Y334-L363 HydrophobicContact CD1-CD2 4.08Å; Y334-L363 HydrophobicContact CD2-CD2 3.82Å; Y334-L363 HydrophobicContact CG-CD2 3.58Å; F361-L363 HydrophobicContact CB-CD2 4.26Å; F361-L363 HydrophobicContact CB-CG 4.34Å; L363-S380 CarbonylContact O-C 3.56Å; L363-S380 WeakPolarHBondContact O-CA 3.23Å; L363-L381 HydrophobicContact CB-CB 4.21Å; L363-L381 HydrophobicContact CD1-CD2 4.14Å; L363-L381 PolarHBondContact N-O 2.81Å; L363-L381 PolarHBondContact O-N 3.07Å; L363-I383 HydrophobicContact CD1-CD1 3.75Å; L363-I383 HydrophobicContact CG-CD1 4.5Å |
| 364 | V | 92 | Very high | 87.6 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 27% | 0.267 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116.1 | 171.5 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | L327 V328 A379 | L327-V364 WeakPolarHBondContact CB-O 3.27Å; L327-V364 PolarHBondContact N-O 2.71Å; V328-V364 HydrophobicContact CG2-CB 3.94Å; V328-V364 HydrophobicContact CG2-CG2 4Å; V328-V364 PolarHBondContact O-N 2.87Å; V364-A379 CarbonylContact C-O 3.57Å; V364-A379 WeakPolarHBondContact CA-O 3.42Å |
| 365 | I | 93.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 146.7 | 177.9 | 61.2 | 172.5 | 0 | 0 | 0 | 110.6 | F265 Y282 I304 S325 I326 M340 F378 A379 L381 | F265-I365 HydrophobicContact CE1-CD1 3.93Å; F265-I365 HydrophobicContact CE1-CG1 4.45Å; F265-I365 HydrophobicContact CZ-CD1 4.04Å; F265-I365 HydrophobicContact CZ-CG1 4.05Å; Y282-I365 HydrophobicContact CD2-CD1 3.68Å; Y282-I365 HydrophobicContact CE2-CD1 3.76Å; I304-I365 HydrophobicContact CD1-CD1 3.98Å; I304-I365 HydrophobicContact CG1-CD1 4.23Å; I304-I365 HydrophobicContact CG2-CD1 3.67Å; S325-I365 CarbonylContact O-C 3.43Å; S325-I365 WeakPolarHBondContact O-CA 3.27Å; I326-I365 HydrophobicContact CG1-CG2 4.33Å; M340-I365 HydrophobicContact CE-CB 4.17Å; M340-I365 HydrophobicContact CE-CG2 3.92Å; M340-I365 HydrophobicContact SD-CG2 4.05Å; I365-F378 WeakPolarHBondContact O-CA 3.46Å; I365-A379 HydrophobicContact CD1-CB 4.17Å; I365-A379 HydrophobicContact CG1-CB 3.86Å; I365-A379 WeakPolarHBondContact CG1-O 3.44Å; I365-A379 PolarHBondContact N-O 3.3Å; I365-A379 PolarHBondContact O-N 3.49Å; I365-L381 HydrophobicContact CG2-CB 4.31Å; I365-L381 HydrophobicContact CG2-CD2 4.35Å |
| 366 | K | 92.3 | Very high | 87.9 | Confident | 42 Ų | 42 | 58.8 Ų | 58.8 | 18% | 0.183 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.3 | -179.4 | -177.6 | -171.2 | -176.7 | -159.6 | 0 | 109.6 | Y324 S325 L327 E368 P376 A377 F378 | Y324-K366 WeakPolarHBondContact CA-O 3.48Å; S325-K366 PolarHBondContact N-O 3.27Å; S325-K366 PolarHBondContact O-N 3.17Å; L327-K366 HydrophobicContact CB-CB 4.4Å; K366-E368 WeakPolarHBondContact CE-OE2 3.16Å; K366-E368 IonicContact NZ-OE2 3.99Å; K366-E368 PolarHBondContact NZ-OE2 2.83Å; K366-P376 HydrophobicContact CD-CB 4.47Å; K366-P376 VanDerWaalsContact CE-CB 3.41Å; K366-P376 HydrophobicContact CG-CB 4.22Å; K366-A377 CarbonylContact C-O 3.44Å; K366-A377 WeakPolarHBondContact CA-O 3.49Å; K366-F378 HydrophobicContact CB-CD1 4.04Å; K366-F378 HydrophobicContact CB-CE1 4.09Å; K366-F378 HydrophobicContact CD-CE1 3.95Å; K366-F378 HydrophobicContact CG-CD1 4Å; K366-F378 HydrophobicContact CG-CE1 3.66Å |
| 367 | A | 91.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | P263 F265 A306 I322 L323 Y324 P376 A377 | P263-A367 HydrophobicContact CB-CB 4.44Å; P263-A367 HydrophobicContact CG-CB 4.24Å; P263-A367 WeakPolarHBondContact CG-O 3.32Å; F265-A367 HydrophobicContact CE1-CB 3.99Å; F265-A367 HydrophobicContact CE2-CB 3.8Å; F265-A367 HydrophobicContact CZ-CB 3.46Å; F265-A367 VanDerWaalsContact CZ-CB 3.46Å; A306-A367 HydrophobicContact CB-CB 4Å; I322-A367 HydrophobicContact CG2-CB 3.97Å; L323-A367 WeakPolarHBondContact O-CA 3.24Å; Y324-A367 HydrophobicContact CD1-CB 4.28Å; Y324-A367 HydrophobicContact CE1-CB 4.31Å; A367-P376 WeakPolarHBondContact O-CA 3.39Å; A367-A377 PolarHBondContact N-O 2.95Å; A367-A377 PolarHBondContact O-N 2.79Å |
| 368 | E | 91.4 | Very high | 88.8 | Confident | 67 Ų | 67 | 53 Ų | 53 | 31% | 0.313 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.9 | 176.9 | 66.8 | -173.6 | 179.3 | 0 | 0 | 111 | I322 L323 K366 P376 | I322-E368 CarbonylContact C-O 3.58Å; I322-E368 WeakPolarHBondContact CA-O 3.45Å; L323-E368 HydrophobicContact CB-CG 4.05Å; L323-E368 PolarHBondContact N-O 3.36Å; L323-E368 PolarHBondContact O-N 3.49Å; K366-E368 WeakPolarHBondContact CE-OE2 3.16Å; K366-E368 IonicContact NZ-OE2 3.99Å; K366-E368 PolarHBondContact NZ-OE2 2.83Å; E368-P376 HydrophobicContact CB-CB 4.38Å |
| 369 | Q | 91.2 | Very high | 89 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.019 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 141.9 | 174.9 | -73.5 | 157.9 | -67.5 | 0 | 0 | 110.5 | D259 L261 P263 P320 G321 N371 G372 H373 | D259-Q369 PolarHBondContact OD1-NE2 3.05Å; L261-Q369 PolarHBondContact O-NE2 2.91Å; L261-Q369 PolarHBondContact O-OE1 2.59Å; P263-Q369 HydrophobicContact CG-CG 4.45Å; P320-Q369 HydrophobicContact CB-CB 3.91Å; P320-Q369 HydrophobicContact CB-CG 4Å; P320-Q369 HydrophobicContact CG-CB 4.36Å; P320-Q369 HydrophobicContact CG-CG 3.97Å; G321-Q369 CarbonylContact O-C 3.56Å; G321-Q369 WeakPolarHBondContact O-CA 3.15Å; Q369-N371 VanDerWaalsContact C-N 3.27Å; Q369-N371 VanDerWaalsContact CB-OD1 3.31Å; Q369-N371 WeakPolarHBondContact CB-OD1 3.2Å; Q369-N371 PolarHBondContact O-N 3.14Å; Q369-G372 PolarHBondContact O-N 3.24Å; Q369-H373 HydrophobicContact CB-CB 3.96Å; Q369-H373 HydrophobicContact CG-CB 4.47Å; Q369-H373 PolarHBondContact OE1-ND1 2.87Å |
| 370 | D | 87.3 | Confident | 89.2 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 49% | 0.492 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -17.4 | -175.6 | 65.1 | -5.3 | 0 | 0 | 0 | 114.5 | P320 G321 L323 G372 | P320-D370 WeakPolarHBondContact CA-OD1 3.21Å; G321-D370 WeakPolarHBondContact CA-OD2 3.19Å; G321-D370 PolarHBondContact N-OD1 3.04Å; G321-D370 PolarHBondContact N-OD2 2.96Å; G321-D370 PolarHBondContact O-N 3.08Å; L323-D370 HydrophobicContact CD1-CB 4.02Å; L323-D370 HydrophobicContact CG-CB 4.15Å; D370-G372 PolarHBondContact O-N 2.94Å |
| 371 | N | 85.2 | Confident | 89.4 | Confident | 81 Ų | 81 | 43.7 Ų | 43.7 | 43% | 0.433 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -3.2 | 173 | 70.6 | -6.2 | 0 | 0 | 0 | 113.5 | D259 P320 Q369 H373 | D259-N371 PolarHBondContact OD2-ND2 2.73Å; P320-N371 HydrophobicContact CB-CB 4.35Å; Q369-N371 VanDerWaalsContact C-N 3.27Å; Q369-N371 VanDerWaalsContact CB-OD1 3.31Å; Q369-N371 WeakPolarHBondContact CB-OD1 3.2Å; Q369-N371 PolarHBondContact O-N 3.14Å; N371-H373 WeakPolarHBondContact OD1-CB 3.33Å; N371-H373 PolarHBondContact OD1-N 3.16Å; N371-H373 VanDerWaalsContact OD1-N 3.09Å |
| 372 | G | 78.1 | Confident | 89.4 | Confident | 63 Ų | 63 | 45.9 Ų | 45.9 | 65% | 0.649 | 27% | 0.265 | S | S | * | . | trans | 81.8 | 24.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q369 D370 | Q369-G372 PolarHBondContact O-N 3.24Å; D370-G372 PolarHBondContact O-N 2.94Å | ||
| 373 | H | 83.6 | Confident | 89.4 | Confident | 31 Ų | 31 | 43.2 Ų | 43.2 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | trans | -54 | 137.2 | 173.6 | -168.4 | -108.4 | 0 | 0 | 0 | 111.5 | D259 L261 Q369 N371 L375 | D259-H373 IonicContact OD1-CD2 3.28Å; D259-H373 IonicContact OD2-CD2 2.75Å; D259-H373 PolarHBondContact OD2-CD2 2.8Å; D259-H373 IonicContact OD2-CG 2.63Å; L261-H373 VanDerWaalsContact C-CE1 3.47Å; L261-H373 PolarHBondContact O-CE1 2.81Å; L261-H373 PolarHBondContact O-ND1 3.21Å; Q369-H373 HydrophobicContact CB-CB 3.96Å; Q369-H373 HydrophobicContact CG-CB 4.47Å; Q369-H373 PolarHBondContact OE1-ND1 2.87Å; N371-H373 WeakPolarHBondContact OD1-CB 3.33Å; N371-H373 PolarHBondContact OD1-N 3.16Å; N371-H373 VanDerWaalsContact OD1-N 3.09Å; H373-L375 VanDerWaalsContact C-N 3.25Å; H373-L375 PolarHBondContact O-N 2.87Å | ||
| 374 | P | 83.1 | Confident | 89.3 | Confident | 108 Ų | 108 | 48.1 Ų | 48.1 | 70% | 0.701 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -76.4 | -3.6 | -167.6 | 30 | -36.8 | 0 | 0 | 0 | 115.1 | P376 | P374-P376 WeakPolarHBondContact O-CD 3.42Š|
| 375 | L | 85.8 | Confident | 89.2 | Confident | 95 Ų | 95 | 46.3 Ų | 46.3 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | trans | -107.9 | 88.7 | -174.9 | -61.8 | -179.1 | 0 | 0 | 0 | 111.5 | P263 H373 | P263-L375 WeakPolarHBondContact CD-O 3.3Å; H373-L375 VanDerWaalsContact C-N 3.25Å; H373-L375 PolarHBondContact O-N 2.87Å | ||
| 376 | P | 89.4 | Confident | 88.7 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 31% | 0.312 | 28% | 0.281 | S | S | . | . | trans | -82.5 | 158.3 | 172.9 | 33.7 | -35.9 | 0 | 0 | 0 | 112.5 | K366 A367 E368 P374 F378 | K366-P376 HydrophobicContact CD-CB 4.47Å; K366-P376 VanDerWaalsContact CE-CB 3.41Å; K366-P376 HydrophobicContact CG-CB 4.22Å; A367-P376 WeakPolarHBondContact O-CA 3.39Å; E368-P376 HydrophobicContact CB-CB 4.38Å; P374-P376 WeakPolarHBondContact O-CD 3.42Å; P376-F378 HydrophobicContact CB-CZ 4.24Å; P376-F378 HydrophobicContact CG-CE2 4.04Å; P376-F378 HydrophobicContact CG-CZ 3.76Å | ||
| 377 | A | 88 | Confident | 88.1 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 151.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | P263 F265 K366 A367 | P263-A377 HydrophobicContact CG-CB 4.48Å; P263-A377 VanDerWaalsContact O-CB 3.26Å; P263-A377 WeakPolarHBondContact O-CB 3.43Å; F265-A377 HydrophobicContact CD2-CB 3.91Å; F265-A377 HydrophobicContact CE2-CB 4.01Å; K366-A377 CarbonylContact C-O 3.44Å; K366-A377 WeakPolarHBondContact CA-O 3.49Å; A367-A377 PolarHBondContact N-O 2.95Å; A367-A377 PolarHBondContact O-N 2.79Å |
| 378 | F | 89.8 | Confident | 87.6 | Confident | 105 Ų | 105 | 54.2 Ų | 54.2 | 46% | 0.461 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144.8 | -179.7 | -53.8 | -79.5 | 0 | 0 | 0 | 111.3 | L327 I365 K366 P376 | L327-F378 HydrophobicContact CD2-CD1 4.08Å; L327-F378 HydrophobicContact CD2-CE1 3.8Å; I365-F378 WeakPolarHBondContact O-CA 3.46Å; K366-F378 HydrophobicContact CB-CD1 4.04Å; K366-F378 HydrophobicContact CB-CE1 4.09Å; K366-F378 HydrophobicContact CD-CE1 3.95Å; K366-F378 HydrophobicContact CG-CD1 4Å; K366-F378 HydrophobicContact CG-CE1 3.66Å; P376-F378 HydrophobicContact CB-CZ 4.24Å; P376-F378 HydrophobicContact CG-CE2 4.04Å; P376-F378 HydrophobicContact CG-CZ 3.76Å |
| 379 | A | 90.3 | Very high | 87 | Confident | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 159 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F265 Y282 V364 I365 | F265-A379 HydrophobicContact CD2-CB 3.81Å; F265-A379 HydrophobicContact CE2-CB 3.93Å; F265-A379 HydrophobicContact CG-CB 4.19Å; F265-A379 HydrophobicContact CZ-CB 4.41Å; Y282-A379 HydrophobicContact CD2-CB 3.9Å; Y282-A379 HydrophobicContact CE2-CB 3.59Å; V364-A379 CarbonylContact C-O 3.57Å; V364-A379 WeakPolarHBondContact CA-O 3.42Å; I365-A379 HydrophobicContact CD1-CB 4.17Å; I365-A379 HydrophobicContact CG1-CB 3.86Å; I365-A379 WeakPolarHBondContact CG1-O 3.44Å; I365-A379 PolarHBondContact N-O 3.3Å; I365-A379 PolarHBondContact O-N 3.49Å |
| 380 | S | 90.3 | Very high | 86.4 | Confident | 56 Ų | 56 | 56.2 Ų | 56.2 | 39% | 0.392 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 141.2 | 176.8 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | L280 T281 Y282 L363 | L280-S380 PolarHBondContact O-N 3.14Å; L280-S380 VanDerWaalsContact O-N 3.1Å; T281-S380 CarbonylContact C-O 3.51Å; T281-S380 VanDerWaalsContact CA-O 3.31Å; T281-S380 WeakPolarHBondContact CA-O 3.37Å; Y282-S380 PolarHBondContact N-O 2.98Å; L363-S380 CarbonylContact O-C 3.56Å; L363-S380 WeakPolarHBondContact O-CA 3.23Å |
| 381 | L | 93.5 | Very high | 86.1 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 114.6 | 175 | 169.1 | 64.2 | 0 | 0 | 0 | 108.4 | Y282 V300 I304 L347 L363 I365 I383 | Y282-L381 CarbonylContact O-C 3.57Å; Y282-L381 WeakPolarHBondContact O-CA 3.13Å; V300-L381 HydrophobicContact CG1-CD1 3.76Å; V300-L381 HydrophobicContact CG2-CD1 4.36Å; I304-L381 HydrophobicContact CD1-CD2 4.43Å; L347-L381 HydrophobicContact CD1-CD2 4.31Å; L347-L381 HydrophobicContact CD2-CD2 3.93Å; L363-L381 HydrophobicContact CB-CB 4.21Å; L363-L381 HydrophobicContact CD1-CD2 4.14Å; L363-L381 PolarHBondContact N-O 2.81Å; L363-L381 PolarHBondContact O-N 3.07Å; I365-L381 HydrophobicContact CG2-CB 4.31Å; I365-L381 HydrophobicContact CG2-CD2 4.35Å; L381-I383 HydrophobicContact CD1-CG1 4.39Å; L381-I383 HydrophobicContact CD2-CD1 4.32Å; L381-I383 HydrophobicContact CD2-CG1 4.47Å; L381-I383 HydrophobicContact CG-CD1 4.46Å; L381-I383 HydrophobicContact CG-CG1 4.09Å |
| 382 | H | 93.7 | Very high | 86.2 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 21% | 0.213 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121.5 | 177.5 | -171.5 | 73.7 | 0 | 0 | 0 | 109.6 | T281 Y282 Q283 A284 D362 | T281-H382 HydrophobicContact CG2-CB 4.46Å; Y282-H382 PolarHBondContact O-N 3.32Å; Q283-H382 CarbonylContact C-O 3.56Å; Q283-H382 VanDerWaalsContact CA-O 3.29Å; Q283-H382 WeakPolarHBondContact CA-O 3.49Å; Q283-H382 HydrophobicContact CG-CB 4.43Å; A284-H382 PolarHBondContact N-O 3.37Å; D362-H382 IonicContact OD1-CE1 3.04Å; D362-H382 PolarHBondContact OD1-CE1 2.63Å; D362-H382 IonicContact OD1-CG 3.95Å; D362-H382 IonicContact OD1-ND1 3.86Å; D362-H382 PolarHBondContact OD1-ND1 3.28Å |
| 383 | I | 93.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.2 | 177.3 | -48.3 | 176.5 | 0 | 0 | 0 | 107.6 | A284 I286 F338 L347 K360 F361 L363 L381 I385 | A284-I383 HydrophobicContact CB-CG1 4.39Å; A284-I383 HydrophobicContact CB-CG2 4.37Å; A284-I383 CarbonylContact O-C 3.53Å; A284-I383 VanDerWaalsContact O-CA 3.31Å; A284-I383 WeakPolarHBondContact O-CA 3.15Å; I286-I383 HydrophobicContact CD1-CG2 3.62Å; I286-I383 HydrophobicContact CG1-CG2 4.07Å; F338-I383 HydrophobicContact CD1-CD1 3.93Å; F338-I383 HydrophobicContact CD2-CD1 4.14Å; F338-I383 HydrophobicContact CE1-CD1 3.82Å; F338-I383 HydrophobicContact CE1-CG2 4.35Å; F338-I383 HydrophobicContact CE2-CD1 4.05Å; F338-I383 HydrophobicContact CG-CD1 4.09Å; F338-I383 HydrophobicContact CZ-CD1 3.88Å; F338-I383 HydrophobicContact CZ-CG2 4.06Å; L347-I383 HydrophobicContact CD2-CD1 3.89Å; K360-I383 CarbonylContact C-O 3.46Å; K360-I383 WeakPolarHBondContact CA-O 3.18Å; F361-I383 HydrophobicContact CB-CB 4.12Å; F361-I383 HydrophobicContact CB-CD1 4.38Å; F361-I383 HydrophobicContact CB-CG1 4.49Å; F361-I383 PolarHBondContact N-O 2.91Å; F361-I383 PolarHBondContact O-N 2.85Å; L363-I383 HydrophobicContact CD1-CD1 3.75Å; L363-I383 HydrophobicContact CG-CD1 4.5Å; L381-I383 HydrophobicContact CD1-CG1 4.39Å; L381-I383 HydrophobicContact CD2-CD1 4.32Å; L381-I383 HydrophobicContact CD2-CG1 4.47Å; L381-I383 HydrophobicContact CG-CD1 4.46Å; L381-I383 HydrophobicContact CG-CG1 4.09Å; I383-I385 HydrophobicContact CG2-CD1 4.35Å |
| 384 | E | 91.1 | Very high | 87.2 | Confident | 106 Ų | 106 | 53.3 Ų | 53.3 | 50% | 0.495 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 134.6 | 175.3 | -175 | 171.7 | -160.2 | 0 | 0 | 109.8 | A284 A285 I286 L386 | A284-E384 PolarHBondContact O-N 2.84Å; A285-E384 WeakPolarHBondContact CA-O 3.49Å; I286-E384 PolarHBondContact N-O 3.19Å; E384-L386 HydrophobicContact CG-CD2 4.47Å |
| 385 | I | 89.9 | Confident | 87.6 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 114.1 | 174.9 | -52.4 | -57.3 | 0 | 0 | 0 | 108.2 | I286 E288 V353 R355 H358 Q359 F361 I383 | I286-I385 HydrophobicContact CB-CD1 4.11Å; I286-I385 CarbonylContact O-C 3.58Å; I286-I385 VanDerWaalsContact O-CA 3.3Å; I286-I385 WeakPolarHBondContact O-CA 3.38Å; E288-I385 HydrophobicContact CB-CG2 3.83Å; V353-I385 HydrophobicContact CB-CD1 4.16Å; V353-I385 HydrophobicContact CG1-CD1 3.88Å; V353-I385 HydrophobicContact CG1-CG1 3.8Å; V353-I385 HydrophobicContact CG1-CG2 4.27Å; V353-I385 HydrophobicContact CG2-CD1 4.47Å; R355-I385 HydrophobicContact CB-CG2 3.97Å; R355-I385 HydrophobicContact CG-CG2 4.38Å; H358-I385 VanDerWaalsContact O-CG1 3.26Å; H358-I385 WeakPolarHBondContact O-CG1 3.41Å; Q359-I385 PolarHBondContact O-N 3.2Å; F361-I385 HydrophobicContact CD2-CD1 4.37Å; F361-I385 HydrophobicContact CD2-CG1 4.42Å; F361-I385 HydrophobicContact CE2-CD1 4.29Å; F361-I385 HydrophobicContact CE2-CG1 4.25Å; I383-I385 HydrophobicContact CG2-CD1 4.35Å |
| 386 | L | 84.2 | Confident | 87.8 | Confident | 73 Ų | 73 | 47.9 Ų | 47.9 | 38% | 0.382 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 138 | -178.8 | -56.2 | 177.2 | 0 | 0 | 0 | 109.9 | A285 I286 E288 E384 | A285-L386 HydrophobicContact CB-CD1 4.03Å; A285-L386 HydrophobicContact CB-CD2 4.2Å; A285-L386 HydrophobicContact CB-CG 4.11Å; I286-L386 PolarHBondContact O-N 2.78Å; E288-L386 PolarHBondContact N-O 2.98Å; E288-L386 VanDerWaalsContact N-O 3.11Å; E384-L386 HydrophobicContact CG-CD2 4.47Å |
| 387 | D | 79.8 | Confident | 87.9 | Confident | 57 Ų | 57 | 50.4 Ų | 50.4 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | trans | -72.2 | 134.6 | 176.2 | -164.4 | 36.6 | 0 | 0 | 0 | 111.5 | R355 | R355-D387 VanDerWaalsContact CD-CA 3.47Å; R355-D387 WeakPolarHBondContact CD-OD1 3.25Å; R355-D387 IonicContact CZ-OD1 3.87Å; R355-D387 VanDerWaalsContact CZ-OD1 3.24Å; R355-D387 IonicContact CZ-OD2 2.63Å; R355-D387 IonicContact NE-OD1 3.07Å; R355-D387 IonicContact NH1-OD1 3.52Å; R355-D387 PolarHBondContact NH1-OD1 3.29Å; R355-D387 IonicContact NH1-OD2 3.21Å; R355-D387 PolarHBondContact NH1-OD2 3.04Å; R355-D387 IonicContact NH2-OD2 3.89Å | ||
| 388 | E | 80.3 | Confident | 87.9 | Confident | 78 Ų | 78 | 54.8 Ų | 54.8 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | trans | -114.4 | 129 | 170.4 | -69.2 | -76.2 | 151 | 0 | 0 | 107.3 | P287 E288 N390 | P287-E388 HydrophobicContact CB-CG 4.37Å; E288-E388 HydrophobicContact CG-CB 4.02Å; E288-E388 HydrophobicContact CG-CG 4.04Å; E288-E388 PolarHBondContact OE1-N 3.23Å; E388-N390 VanDerWaalsContact C-N 3.26Å; E388-N390 PolarHBondContact O-N 2.87Å; E388-N390 PolarHBondContact O-ND2 2.86Å | ||
| 389 | N | 78.2 | Confident | 88.1 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 34% | 0.342 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -66.9 | 83.2 | -178.8 | 178.5 | -2.6 | 0 | 0 | 0 | 110.4 | D432 D485 V487 | N389-D432 WeakPolarHBondContact CA-OD2 3.46Å; N389-D432 PolarHBondContact OD1-OD2 2.76Å; N389-D485 PolarHBondContact ND2-OD1 3.4Å; N389-D485 VanDerWaalsContact ND2-OD1 3.15Å; N389-V487 WeakPolarHBondContact ND2-CG2 3.32Å |
| 390 | N | 78.5 | Confident | 88.2 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | trans | -126.5 | -4.1 | -169.9 | 74 | 40.6 | 0 | 0 | 0 | 112.9 | E288 E388 D432 Q488 | E288-N390 PolarHBondContact OE1-ND2 2.76Å; E388-N390 VanDerWaalsContact C-N 3.26Å; E388-N390 PolarHBondContact O-N 2.87Å; E388-N390 PolarHBondContact O-ND2 2.86Å; N390-D432 PolarHBondContact N-OD2 3.1Å; N390-Q488 PolarHBondContact O-NE2 3.24Å | ||
| 391 | Q | 82.4 | Confident | 88.4 | Confident | 58 Ų | 58 | 54.1 Ų | 54.1 | 27% | 0.271 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -100 | 138.6 | 171 | -59.1 | -60.7 | -62 | 0 | 0 | 110.5 | K431 D432 Q488 | Q391-K431 HydrophobicContact CB-CB 3.85Å; Q391-K431 HydrophobicContact CG-CB 3.85Å; Q391-D432 WeakPolarHBondContact CB-OD1 3.42Å; Q391-D432 WeakPolarHBondContact CG-OD1 3.47Å; Q391-D432 PolarHBondContact N-OD1 3.15Å; Q391-D432 VanDerWaalsContact N-OD1 3.14Å; Q391-D432 PolarHBondContact N-OD2 3.15Å; Q391-D432 VanDerWaalsContact N-OD2 3.08Å; Q391-Q488 PolarHBondContact O-NE2 2.92Å |
| 392 | S | 87.3 | Confident | 88.4 | Confident | 59 Ų | 59 | 54 Ų | 54 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -86 | 149 | 178.7 | 58.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 393 | P | 91.2 | Very high | 88.4 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 151.7 | -179.6 | -16.3 | 31.7 | 0 | 0 | 0 | 110.3 | L429 L441 A483 D485 S490 | P393-L429 CarbonylContact C-O 3.52Å; P393-L429 WeakPolarHBondContact CA-O 3.29Å; P393-L441 HydrophobicContact CB-CD1 3.85Å; P393-L441 HydrophobicContact CB-CD2 3.8Å; P393-L441 HydrophobicContact CB-CG 4.48Å; P393-L441 HydrophobicContact CG-CD2 3.59Å; P393-A483 HydrophobicContact CB-CB 4.16Å; P393-D485 WeakPolarHBondContact CD-OD2 3.48Å; P393-D485 HydrophobicContact CG-CB 3.88Å; P393-D485 VanDerWaalsContact CG-OD2 3.24Å; P393-D485 WeakPolarHBondContact CG-OD2 3.22Å; P393-S490 WeakPolarHBondContact O-CA 3.34Å; P393-S490 WeakPolarHBondContact O-CB 3.18Å |
| 394 | Y | 90.2 | Very high | 88.4 | Confident | 87 Ų | 87 | 54 Ų | 54 | 34% | 0.341 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 146.6 | 178.4 | 69.8 | -81.2 | 0 | 0 | 0 | 112.5 | A428 L429 K431 | Y394-A428 WeakPolarHBondContact O-CA 3.37Å; Y394-L429 WeakPolarHBondContact CD1-O 3.34Å; Y394-L429 HydrophobicContact CE1-CB 4.04Å; Y394-L429 PolarHBondContact N-O 3.12Å; Y394-L429 PolarHBondContact O-N 3.16Å; Y394-K431 HydrophobicContact CE1-CG 3.99Å |
| 395 | F | 93 | Very high | 88.4 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 9% | 0.088 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 141.8 | 173.5 | -68.1 | -80 | 0 | 0 | 0 | 111 | M397 Y400 I426 A428 L443 I481 A483 S490 V493 | F395-M397 PolarHBondContact O-N 2.81Å; F395-Y400 HydrophobicContact CB-CE2 4.47Å; F395-Y400 HydrophobicContact CD1-CE2 4.11Å; F395-Y400 HydrophobicContact CG-CE2 4.49Å; F395-I426 HydrophobicContact CD1-CG2 4.06Å; F395-I426 HydrophobicContact CE1-CG2 3.84Å; F395-A428 HydrophobicContact CD1-CB 3.82Å; F395-A428 HydrophobicContact CE1-CB 3.77Å; F395-A428 HydrophobicContact CZ-CB 4.43Å; F395-L443 HydrophobicContact CE1-CD2 3.97Å; F395-L443 HydrophobicContact CZ-CD2 4.34Å; F395-I481 HydrophobicContact CE1-CG2 4.32Å; F395-I481 HydrophobicContact CZ-CB 4.44Å; F395-I481 HydrophobicContact CZ-CG2 3.82Å; F395-A483 HydrophobicContact CE2-CB 4.17Å; F395-A483 HydrophobicContact CZ-CB 3.83Å; F395-S490 VanDerWaalsContact CE2-OG 3.3Å; F395-S490 WeakPolarHBondContact CE2-OG 3.2Å; F395-V493 HydrophobicContact CB-CG2 3.87Å; F395-V493 HydrophobicContact CD2-CB 3.99Å; F395-V493 HydrophobicContact CD2-CG2 3.53Å; F395-V493 HydrophobicContact CE2-CB 4.42Å; F395-V493 HydrophobicContact CE2-CG2 4.35Å; F395-V493 HydrophobicContact CG-CB 4.34Å; F395-V493 HydrophobicContact CG-CG2 3.91Å |
| 396 | T | 88.6 | Confident | 88.6 | Confident | 68 Ų | 68 | 51.9 Ų | 51.9 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -69.9 | -20.8 | 178 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | V427 L429 | T396-V427 HydrophobicContact CG2-CB 4.05Å; T396-V427 HydrophobicContact CG2-CG1 3.84Å; T396-V427 PolarHBondContact N-O 2.78Å; T396-V427 PolarHBondContact OG1-O 2.88Å; T396-L429 HydrophobicContact CG2-CD1 4.09Å; T396-L429 HydrophobicContact CG2-CG 4.39Å |
| 397 | M | 90.9 | Very high | 88.8 | Confident | 102 Ų | 102 | 52 Ų | 52 | 50% | 0.502 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -124.3 | 144.6 | -180 | -65.3 | -67.6 | -71.2 | 0 | 0 | 110.8 | F395 S399 Y400 | F395-M397 PolarHBondContact O-N 2.81Å; M397-S399 VanDerWaalsContact C-N 3.33Å; M397-S399 PolarHBondContact O-N 2.99Å; M397-Y400 HydrophobicContact CB-CD1 4.35Å; M397-Y400 HydrophobicContact CB-CE1 3.78Å; M397-Y400 HydrophobicContact CB-CE2 4.34Å; M397-Y400 HydrophobicContact CG-CE1 4Å |
| 398 | P | 89.4 | Confident | 89.3 | Confident | 109 Ų | 109 | 50.1 Ų | 50.1 | 71% | 0.708 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -76.8 | -18.5 | -178.7 | 31.4 | -36.5 | 0 | 0 | 0 | 113.9 | V493 | P398-V493 WeakPolarHBondContact O-CG1 3.31Š|
| 399 | S | 92.5 | Very high | 89.8 | Confident | 65 Ų | 65 | 51.1 Ų | 51.1 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 155.3 | 173.5 | 60.9 | 0 | 0 | 0 | 0 | 110.1 | M397 V494 | M397-S399 VanDerWaalsContact C-N 3.33Å; M397-S399 PolarHBondContact O-N 2.99Å; S399-V494 CarbonylContact C-O 3.57Å; S399-V494 VanDerWaalsContact CA-O 3.26Å; S399-V494 WeakPolarHBondContact CA-O 3.45Å; S399-V494 WeakPolarHBondContact CB-O 3.26Å |
| 400 | Y | 93.7 | Very high | 90.4 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136 | 178.2 | -63.9 | -84.4 | 0 | 0 | 0 | 110.9 | F395 M397 L424 R425 I426 V427 V493 V494 V495 N496 | F395-Y400 HydrophobicContact CB-CE2 4.47Å; F395-Y400 HydrophobicContact CD1-CE2 4.11Å; F395-Y400 HydrophobicContact CG-CE2 4.49Å; M397-Y400 HydrophobicContact CB-CD1 4.35Å; M397-Y400 HydrophobicContact CB-CE1 3.78Å; M397-Y400 HydrophobicContact CB-CE2 4.34Å; M397-Y400 HydrophobicContact CG-CE1 4Å; Y400-L424 HydrophobicContact CD1-CD1 4.18Å; Y400-R425 WeakPolarHBondContact CE1-O 3.39Å; Y400-I426 HydrophobicContact CD1-CG1 4.21Å; Y400-I426 HydrophobicContact CD2-CG1 4.46Å; Y400-I426 HydrophobicContact CE1-CB 4.48Å; Y400-I426 HydrophobicContact CE1-CG1 4.27Å; Y400-I426 HydrophobicContact CE2-CG2 4.07Å; Y400-I426 HydrophobicContact CG-CG1 4.31Å; Y400-V427 PolarHBondContact OH-N 2.72Å; Y400-V427 PolarHBondContact OH-O 3.33Å; Y400-V493 HydrophobicContact CD2-CG1 3.68Å; Y400-V493 HydrophobicContact CE2-CG1 3.83Å; Y400-V494 PolarHBondContact N-O 2.82Å; Y400-V495 HydrophobicContact CD2-CG2 4.25Å; Y400-V495 WeakPolarHBondContact O-CA 3.17Å; Y400-N496 PolarHBondContact O-N 3.21Å |
| 401 | Q | 93.5 | Very high | 90.9 | Very high | 74 Ų | 74 | 52.1 Ų | 52.1 | 35% | 0.346 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.5 | 177 | -177.2 | 66.4 | 45.7 | 0 | 0 | 109.7 | Y403 N496 | Q401-Y403 HydrophobicContact CG-CE2 3.99Å; Q401-N496 CarbonylContact C-O 3.55Å; Q401-N496 WeakPolarHBondContact CA-O 3.39Å; Q401-N496 PolarHBondContact NE2-O 3.23Å; Q401-N496 VanDerWaalsContact NE2-O 3.12Å |
| 402 | G | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 158 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S415 N496 I497 R498 | G402-S415 CarbonylContact C-O 3.58Å; G402-S415 VanDerWaalsContact CA-O 3.28Å; G402-S415 WeakPolarHBondContact CA-O 3.3Å; G402-N496 PolarHBondContact N-O 3.11Å; G402-I497 WeakPolarHBondContact O-CA 3.48Å; G402-R498 PolarHBondContact O-N 2.96Å |
| 403 | Y | 94.2 | Very high | 91.5 | Very high | 39 Ų | 39 | 51.1 Ų | 51.1 | 15% | 0.153 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 138.7 | 175 | -57.4 | -84.3 | 0 | 0 | 0 | 109.7 | Q401 S415 L418 R498 | Q401-Y403 HydrophobicContact CG-CE2 3.99Å; Y403-S415 PolarHBondContact N-O 2.98Å; Y403-S415 PolarHBondContact O-N 3.42Å; Y403-L418 HydrophobicContact CD1-CD2 3.95Å; Y403-L418 HydrophobicContact CD1-CG 4.18Å; Y403-L418 HydrophobicContact CE1-CD2 3.69Å; Y403-L418 HydrophobicContact CE1-CG 3.83Å; Y403-L418 HydrophobicContact CE2-CG 4.19Å; Y403-R498 WeakPolarHBondContact CA-O 3.33Å; Y403-R498 HydrophobicContact CD1-CB 3.94Å; Y403-R498 HydrophobicContact CE1-CB 4.12Å |
| 404 | I | 93.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141.5 | 174.3 | -162.8 | -178.7 | 0 | 0 | 0 | 109.5 | A408 I414 L465 V469 I497 R498 V499 M500 | I404-A408 HydrophobicContact CD1-CB 4.09Å; I404-A408 HydrophobicContact CG1-CB 3.93Å; I404-I414 HydrophobicContact CB-CD1 3.88Å; I404-I414 HydrophobicContact CD1-CD1 3.64Å; I404-I414 HydrophobicContact CG1-CD1 4.06Å; I404-I414 HydrophobicContact CG2-CD1 4.44Å; I404-L465 HydrophobicContact CD1-CB 3.95Å; I404-L465 HydrophobicContact CD1-CD1 3.67Å; I404-L465 HydrophobicContact CD1-CD2 3.72Å; I404-L465 HydrophobicContact CD1-CG 3.97Å; I404-V469 HydrophobicContact CG2-CG2 4.09Å; I404-I497 HydrophobicContact CG2-CG2 4.04Å; I404-R498 PolarHBondContact N-O 3.45Å; I404-R498 VanDerWaalsContact N-O 3.1Å; I404-V499 HydrophobicContact CG2-CG2 4.25Å; I404-V499 CarbonylContact O-C 3.52Å; I404-V499 WeakPolarHBondContact O-CA 3.28Å; I404-M500 PolarHBondContact O-N 2.9Å |
| 405 | L | 91.9 | Very high | 91.7 | Very high | 55 Ų | 55 | 47.5 Ų | 47.5 | 29% | 0.288 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 136.7 | 170.5 | -163.6 | 67.4 | 0 | 0 | 0 | 109.1 | S407 A408 L420 M500 | L405-S407 VanDerWaalsContact C-N 3.26Å; L405-S407 WeakPolarHBondContact CD2-OG 3.42Å; L405-S407 PolarHBondContact O-N 2.74Å; L405-A408 HydrophobicContact CB-CB 4.48Å; L405-A408 WeakPolarHBondContact O-CB 3.37Å; L405-A408 PolarHBondContact O-N 2.88Å; L405-L420 HydrophobicContact CB-CD1 3.82Å; L405-L420 HydrophobicContact CD1-CD1 4.38Å; L405-M500 HydrophobicContact CD1-CB 3.97Å |
| 406 | E | 92.5 | Very high | 91.5 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -40 | 177.1 | -174.1 | 175.5 | -174.5 | 0 | 0 | 112.8 | A408 V469 D470 R471 V499 M500 | E406-A408 PolarHBondContact O-N 3.16Å; E406-V469 VanDerWaalsContact CG-O 3.27Å; E406-V469 WeakPolarHBondContact CG-O 3.45Å; E406-D470 WeakPolarHBondContact OE1-CA 3.31Å; E406-R471 HydrophobicContact CG-CB 4.33Å; E406-R471 PolarHBondContact OE1-N 3.03Å; E406-R471 WeakPolarHBondContact OE2-CB 3.45Å; E406-V499 HydrophobicContact CB-CG1 3.81Å; E406-V499 HydrophobicContact CG-CG1 4.34Å; E406-M500 PolarHBondContact N-O 2.91Å |
| 407 | S | 88.3 | Confident | 91.4 | Very high | 77 Ų | 77 | 49.2 Ų | 49.2 | 54% | 0.538 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 10.4 | 175.7 | 78.9 | 0 | 0 | 0 | 0 | 114 | L405 | L405-S407 VanDerWaalsContact C-N 3.26Å; L405-S407 WeakPolarHBondContact CD2-OG 3.42Å; L405-S407 PolarHBondContact O-N 2.74Å |
| 408 | A | 90.3 | Very high | 91.1 | Very high | 16 Ų | 16 | 48.8 Ų | 48.8 | 13% | 0.132 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 133.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I404 L405 E406 A412 | I404-A408 HydrophobicContact CD1-CB 4.09Å; I404-A408 HydrophobicContact CG1-CB 3.93Å; L405-A408 HydrophobicContact CB-CB 4.48Å; L405-A408 WeakPolarHBondContact O-CB 3.37Å; L405-A408 PolarHBondContact O-N 2.88Å; E406-A408 PolarHBondContact O-N 3.16Å; A408-A412 HydrophobicContact CB-CB 3.95Å |
| 409 | P | 91.7 | Very high | 90.8 | Very high | 100 Ų | 100 | 50 Ų | 50 | 65% | 0.649 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 154.5 | 176.5 | 30.4 | -35 | 0 | 0 | 0 | 111.6 | G411 A412 | P409-G411 PolarHBondContact O-N 2.83Å; P409-A412 VanDerWaalsContact O-CB 3.25Å; P409-A412 WeakPolarHBondContact O-CB 3.38Å; P409-A412 PolarHBondContact O-N 3.29Å |
| 410 | V | 90.1 | Very high | 90.5 | Very high | 84 Ų | 84 | 49.6 Ų | 49.6 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 131.4 | 169.3 | 173.3 | 0 | 0 | 0 | 0 | 110 | L466 | V410-L466 WeakPolarHBondContact CG1-O 3.14Å; V410-L466 WeakPolarHBondContact CG2-O 3.45Å |
| 411 | G | 88.9 | Confident | 90 | Very high | 51 Ų | 51 | 54 Ų | 54 | 53% | 0.526 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | -8.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P409 L465 | P409-G411 PolarHBondContact O-N 2.83Å; G411-L465 WeakPolarHBondContact CA-O 3.44Å; G411-L465 PolarHBondContact N-O 3.34Å |
| 412 | A | 89.9 | Confident | 89.8 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 22% | 0.223 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 139.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A408 P409 T464 L465 | A408-A412 HydrophobicContact CB-CB 3.95Å; P409-A412 VanDerWaalsContact O-CB 3.25Å; P409-A412 WeakPolarHBondContact O-CB 3.38Å; P409-A412 PolarHBondContact O-N 3.29Å; A412-T464 WeakPolarHBondContact O-CA 3.23Å; A412-L465 PolarHBondContact O-N 3.1Å |
| 413 | T | 92.3 | Very high | 89.7 | Confident | 68 Ų | 68 | 55.5 Ų | 55.5 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -80.8 | 135.3 | 175 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | S415 L463 T464 | T413-S415 PolarHBondContact O-N 3.07Å; T413-L463 WeakPolarHBondContact CA-O 3.37Å; T413-T464 HydrophobicContact CG2-CG2 3.86Å |
| 414 | I | 93.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 135.7 | 173.1 | -53.5 | -57.4 | 0 | 0 | 0 | 109.4 | I404 P423 L424 F452 L463 I497 | I404-I414 HydrophobicContact CB-CD1 3.88Å; I404-I414 HydrophobicContact CD1-CD1 3.64Å; I404-I414 HydrophobicContact CG1-CD1 4.06Å; I404-I414 HydrophobicContact CG2-CD1 4.44Å; I414-P423 WeakPolarHBondContact O-CA 3.46Å; I414-L424 HydrophobicContact CG2-CB 4.48Å; I414-L424 HydrophobicContact CG2-CD2 4.23Å; I414-L424 WeakPolarHBondContact O-CB 3.21Å; I414-L424 PolarHBondContact O-N 3.23Å; I414-F452 HydrophobicContact CD1-CD1 3.98Å; I414-F452 HydrophobicContact CD1-CE1 3.72Å; I414-F452 HydrophobicContact CG1-CD1 4.37Å; I414-L463 HydrophobicContact CB-CB 4.09Å; I414-L463 HydrophobicContact CG1-CB 3.67Å; I414-L463 PolarHBondContact N-O 2.99Å; I414-I497 HydrophobicContact CD1-CD1 4.29Å; I414-I497 HydrophobicContact CD1-CG2 4.34Å; I414-I497 HydrophobicContact CG1-CD1 4.13Å; I414-I497 HydrophobicContact CG2-CD1 4.36Å; I414-I497 HydrophobicContact CG2-CG1 4.35Å; I414-I497 HydrophobicContact CG2-CG2 4.27Å |
| 415 | S | 92.7 | Very high | 89.6 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -95.3 | 144.5 | -177.7 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | G402 Y403 T413 S417 T422 | G402-S415 CarbonylContact C-O 3.58Å; G402-S415 VanDerWaalsContact CA-O 3.28Å; G402-S415 WeakPolarHBondContact CA-O 3.3Å; Y403-S415 PolarHBondContact N-O 2.98Å; Y403-S415 PolarHBondContact O-N 3.42Å; T413-S415 PolarHBondContact O-N 3.07Å; S415-S417 VanDerWaalsContact C-N 3.34Å; S415-T422 CarbonylContact C-O 3.14Å; S415-T422 VanDerWaalsContact CA-O 3.26Å; S415-T422 WeakPolarHBondContact CA-O 3.48Å |
| 416 | E | 90 | Very high | 89.6 | Confident | 86 Ų | 86 | 56.5 Ų | 56.5 | 40% | 0.402 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -76.1 | -25.4 | 173.5 | -167.9 | 175.7 | -173.2 | 0 | 0 | 111.9 | T422 L424 R425 | E416-T422 PolarHBondContact N-O 2.9Å; E416-L424 HydrophobicContact CB-CB 4.49Å; E416-L424 HydrophobicContact CB-CD1 4.25Å; E416-L424 HydrophobicContact CG-CD1 4.13Å; E416-R425 IonicContact OE2-CZ 3.4Å; E416-R425 IonicContact OE2-NH1 3.91Å; E416-R425 PolarHBondContact OE2-NH1 3.44Å; E416-R425 IonicContact OE2-NH2 3.09Å |
| 417 | S | 86.6 | Confident | 89.6 | Confident | 38 Ų | 38 | 57.1 Ų | 57.1 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -114.3 | 146.2 | -172.6 | -174.9 | 0 | 0 | 0 | 0 | 112.5 | S415 N419 L420 | S415-S417 VanDerWaalsContact C-N 3.34Å; S417-N419 PolarHBondContact O-N 2.8Å; S417-N419 PolarHBondContact OG-N 2.8Å; S417-L420 PolarHBondContact O-N 2.92Å |
| 418 | L | 83.8 | Confident | 89.6 | Confident | 94 Ų | 94 | 53.7 Ų | 53.7 | 49% | 0.492 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -25.9 | 171.8 | -79.3 | 145.9 | 0 | 0 | 0 | 113.8 | Y403 L420 M500 | Y403-L418 HydrophobicContact CD1-CD2 3.95Å; Y403-L418 HydrophobicContact CD1-CG 4.18Å; Y403-L418 HydrophobicContact CE1-CD2 3.69Å; Y403-L418 HydrophobicContact CE1-CG 3.83Å; Y403-L418 HydrophobicContact CE2-CG 4.19Å; L418-L420 PolarHBondContact O-N 2.65Å; L418-M500 WeakPolarHBondContact O-CE 3.46Å |
| 419 | N | 84 | Confident | 89.6 | Confident | 133 Ų | 133 | 53.9 Ų | 53.9 | 71% | 0.711 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 1.3 | 176.6 | -63.9 | -25.3 | 0 | 0 | 0 | 112.8 | S417 T421 | S417-N419 PolarHBondContact O-N 2.8Å; S417-N419 PolarHBondContact OG-N 2.8Å; N419-T421 HydrophobicContact CB-CG2 4.03Å; N419-T421 PolarHBondContact O-N 2.91Å; N419-T421 VanDerWaalsContact O-N 3.17Å |
| 420 | L | 84.4 | Confident | 89.4 | Confident | 57 Ų | 57 | 49.5 Ų | 49.5 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 56.1 | 29.2 | 179.6 | -53.8 | 175.5 | 0 | 0 | 0 | 114.4 | L405 S417 L418 M500 | L405-L420 HydrophobicContact CB-CD1 3.82Å; L405-L420 HydrophobicContact CD1-CD1 4.38Å; S417-L420 PolarHBondContact O-N 2.92Å; L418-L420 PolarHBondContact O-N 2.65Å; L420-M500 HydrophobicContact CD1-SD 4.05Å; L420-M500 HydrophobicContact CD2-SD 3.77Å; L420-M500 HydrophobicContact CG-SD 3.91Å |
| 421 | T | 84.2 | Confident | 89.1 | Confident | 104 Ų | 104 | 51.3 Ų | 51.3 | 64% | 0.638 | 29% | 0.289 | S | S | * | . | trans | -91.7 | -26.7 | -174.2 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | N419 | N419-T421 HydrophobicContact CB-CG2 4.03Å; N419-T421 PolarHBondContact O-N 2.91Å; N419-T421 VanDerWaalsContact O-N 3.17Å | ||
| 422 | T | 89.6 | Confident | 88.8 | Confident | 58 Ų | 58 | 49.3 Ų | 49.3 | 36% | 0.356 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -130.3 | 131.8 | -171.3 | 50 | 0 | 0 | 0 | 0 | 110.6 | S415 E416 | S415-T422 CarbonylContact C-O 3.14Å; S415-T422 VanDerWaalsContact CA-O 3.26Å; S415-T422 WeakPolarHBondContact CA-O 3.48Å; E416-T422 PolarHBondContact N-O 2.9Å |
| 423 | P | 92 | Very high | 88.4 | Confident | 48 Ų | 48 | 51.1 Ų | 51.1 | 31% | 0.312 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -71.7 | 146.1 | -179.8 | 31.2 | -35.6 | 0 | 0 | 0 | 111.1 | I414 R425 Y462 | I414-P423 WeakPolarHBondContact O-CA 3.46Å; P423-R425 PolarHBondContact O-N 2.89Å; P423-Y462 HydrophobicContact CB-CD1 3.88Å; P423-Y462 HydrophobicContact CB-CE1 4.05Å; P423-Y462 HydrophobicContact CG-CD1 4.21Å; P423-Y462 HydrophobicContact CG-CE1 3.85Å |
| 424 | L | 92.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 117.4 | 174.5 | 179.7 | 62 | 0 | 0 | 0 | 109.8 | Y400 I414 E416 Y462 L463 | Y400-L424 HydrophobicContact CD1-CD1 4.18Å; I414-L424 HydrophobicContact CG2-CB 4.48Å; I414-L424 HydrophobicContact CG2-CD2 4.23Å; I414-L424 WeakPolarHBondContact O-CB 3.21Å; I414-L424 PolarHBondContact O-N 3.23Å; E416-L424 HydrophobicContact CB-CB 4.49Å; E416-L424 HydrophobicContact CB-CD1 4.25Å; E416-L424 HydrophobicContact CG-CD1 4.13Å; L424-Y462 WeakPolarHBondContact O-CD1 3.41Å; L424-L463 HydrophobicContact CD2-CD1 4.28Å |
| 425 | R | 92.3 | Very high | 87 | Confident | 117 Ų | 117 | 57.1 Ų | 57.1 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.9 | -179.7 | -66.5 | -170.6 | -49.9 | -60.4 | -6.5 | 109.7 | Y400 E416 P423 T460 Y462 | Y400-R425 WeakPolarHBondContact CE1-O 3.39Å; E416-R425 IonicContact OE2-CZ 3.4Å; E416-R425 IonicContact OE2-NH1 3.91Å; E416-R425 PolarHBondContact OE2-NH1 3.44Å; E416-R425 IonicContact OE2-NH2 3.09Å; P423-R425 PolarHBondContact O-N 2.89Å; R425-T460 HydrophobicContact CB-CG2 3.56Å; R425-T460 HydrophobicContact CG-CG2 3.61Å; R425-Y462 HydrophobicContact CG-CE1 3.91Å |
| 426 | I | 92.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 120.9 | 172.6 | -60 | 177 | 0 | 0 | 0 | 107.3 | F395 Y400 L443 R461 L463 I481 | F395-I426 HydrophobicContact CD1-CG2 4.06Å; F395-I426 HydrophobicContact CE1-CG2 3.84Å; Y400-I426 HydrophobicContact CD1-CG1 4.21Å; Y400-I426 HydrophobicContact CD2-CG1 4.46Å; Y400-I426 HydrophobicContact CE1-CB 4.48Å; Y400-I426 HydrophobicContact CE1-CG1 4.27Å; Y400-I426 HydrophobicContact CE2-CG2 4.07Å; Y400-I426 HydrophobicContact CG-CG1 4.31Å; I426-L443 HydrophobicContact CG2-CD2 4.04Å; I426-R461 HydrophobicContact CB-CB 4.18Å; I426-R461 PolarHBondContact N-O 3.26Å; I426-R461 WeakPolarHBondContact O-CB 3.36Å; I426-R461 PolarHBondContact O-N 3.12Å; I426-L463 HydrophobicContact CD1-CD1 3.74Å; I426-L463 HydrophobicContact CD1-CD2 4.37Å; I426-L463 HydrophobicContact CD1-CG 3.69Å; I426-I481 HydrophobicContact CD1-CD1 3.91Å |
| 427 | V | 91.2 | Very high | 86 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 16% | 0.158 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 116.7 | -180 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | T396 Y400 L429 I459 T460 | T396-V427 HydrophobicContact CG2-CB 4.05Å; T396-V427 HydrophobicContact CG2-CG1 3.84Å; T396-V427 PolarHBondContact N-O 2.78Å; T396-V427 PolarHBondContact OG1-O 2.88Å; Y400-V427 PolarHBondContact OH-N 2.72Å; Y400-V427 PolarHBondContact OH-O 3.33Å; V427-L429 HydrophobicContact CG1-CD2 4.07Å; V427-L429 HydrophobicContact CG1-CG 4.08Å; V427-I459 HydrophobicContact CG1-CG2 4.12Å; V427-T460 HydrophobicContact CG2-CG2 4.26Å |
| 428 | A | 89.6 | Confident | 85.8 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | Y394 F395 L441 A483 | Y394-A428 WeakPolarHBondContact O-CA 3.37Å; F395-A428 HydrophobicContact CD1-CB 3.82Å; F395-A428 HydrophobicContact CE1-CB 3.77Å; F395-A428 HydrophobicContact CZ-CB 4.43Å; A428-L441 HydrophobicContact CB-CD1 3.72Å; A428-A483 HydrophobicContact CB-CB 4.07Å |
| 429 | L | 89.2 | Confident | 85.8 | Confident | 20 Ų | 20 | 59.9 Ų | 59.9 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 160.4 | -179.5 | -62.2 | 176.1 | 0 | 0 | 0 | 109.2 | P393 Y394 T396 V427 D435 I459 | P393-L429 CarbonylContact C-O 3.52Å; P393-L429 WeakPolarHBondContact CA-O 3.29Å; Y394-L429 WeakPolarHBondContact CD1-O 3.34Å; Y394-L429 HydrophobicContact CE1-CB 4.04Å; Y394-L429 PolarHBondContact N-O 3.12Å; Y394-L429 PolarHBondContact O-N 3.16Å; T396-L429 HydrophobicContact CG2-CD1 4.09Å; T396-L429 HydrophobicContact CG2-CG 4.39Å; V427-L429 HydrophobicContact CG1-CD2 4.07Å; V427-L429 HydrophobicContact CG1-CG 4.08Å; L429-D435 HydrophobicContact CD1-CB 4.5Å; L429-I459 HydrophobicContact CD2-CG2 3.96Å |
| 430 | D | 88.6 | Confident | 85.8 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | trans | -129.4 | 140.6 | 174.8 | -160.8 | -40.3 | 0 | 0 | 0 | 107.7 | D432 P439 | D430-D432 PolarHBondContact OD1-N 3.45Å; D430-P439 HydrophobicContact CB-CB 3.75Å; D430-P439 HydrophobicContact CB-CG 4.46Å | ||
| 431 | K | 83.3 | Confident | 86.1 | Confident | 123 Ų | 123 | 58.3 Ų | 58.3 | 54% | 0.535 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -83.1 | -16 | -178.7 | -71.4 | -176.7 | -177.3 | 171.9 | 0 | 113.2 | Q391 Y394 I433 | Q391-K431 HydrophobicContact CB-CB 3.85Å; Q391-K431 HydrophobicContact CG-CB 3.85Å; Y394-K431 HydrophobicContact CE1-CG 3.99Å; K431-I433 PolarHBondContact O-N 3Å |
| 432 | D | 82.2 | Confident | 86.3 | Confident | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.043 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -66 | -31.3 | 175.6 | -64.8 | -25.1 | 0 | 0 | 0 | 110.4 | R355 N389 N390 Q391 D430 | R355-D432 PolarHBondContact NH1-O 2.9Å; N389-D432 WeakPolarHBondContact CA-OD2 3.46Å; N389-D432 PolarHBondContact OD1-OD2 2.76Å; N390-D432 PolarHBondContact N-OD2 3.1Å; Q391-D432 WeakPolarHBondContact CB-OD1 3.42Å; Q391-D432 WeakPolarHBondContact CG-OD1 3.47Å; Q391-D432 PolarHBondContact N-OD1 3.15Å; Q391-D432 VanDerWaalsContact N-OD1 3.14Å; Q391-D432 PolarHBondContact N-OD2 3.15Å; Q391-D432 VanDerWaalsContact N-OD2 3.08Å; D430-D432 PolarHBondContact OD1-N 3.45Å |
| 433 | I | 81.1 | Confident | 86.3 | Confident | 65 Ų | 65 | 57.2 Ų | 57.2 | 33% | 0.333 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -107.6 | 145 | 177.8 | -66.1 | 167.8 | 0 | 0 | 0 | 110.6 | K431 D435 K437 P439 | K431-I433 PolarHBondContact O-N 3Å; I433-D435 PolarHBondContact O-N 2.75Å; I433-K437 HydrophobicContact CG2-CB 3.71Å; I433-P439 HydrophobicContact CD1-CB 4.28Å |
| 434 | E | 78.1 | Confident | 86.2 | Confident | 101 Ų | 101 | 60 Ų | 60 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | trans | -59.4 | 133.7 | 174.4 | -65.9 | 171.2 | 152.2 | 0 | 0 | 111.6 | T436 K437 | E434-T436 PolarHBondContact O-N 3.36Å; E434-K437 PolarHBondContact O-N 3.1Å; E434-K437 WeakPolarHBondContact OE2-CE 3.45Å; E434-K437 IonicContact OE2-NZ 2.65Å; E434-K437 PolarHBondContact OE2-NZ 2.71Å | ||
| 435 | D | 79 | Confident | 86.1 | Confident | 95 Ų | 95 | 60.9 Ų | 60.9 | 51% | 0.508 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -14.4 | -178.8 | -68 | -26.4 | 0 | 0 | 0 | 116.2 | L429 I433 | L429-D435 HydrophobicContact CD1-CB 4.5Å; I433-D435 PolarHBondContact O-N 2.75Å |
| 436 | T | 79.6 | Confident | 85.9 | Confident | 114 Ų | 114 | 61.2 Ų | 61.2 | 70% | 0.699 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -8.5 | 179.4 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | E434 I459 | E434-T436 PolarHBondContact O-N 3.36Å; T436-I459 WeakPolarHBondContact O-CD1 3.29Å |
| 437 | K | 82 | Confident | 85.6 | Confident | 116 Ų | 116 | 65.7 Ų | 65.7 | 50% | 0.504 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -107.6 | 152 | 177.9 | -67.4 | 174.6 | -177.9 | 145.2 | 0 | 109.3 | I433 E434 P439 | I433-K437 HydrophobicContact CG2-CB 3.71Å; E434-K437 PolarHBondContact O-N 3.1Å; E434-K437 WeakPolarHBondContact OE2-CE 3.45Å; E434-K437 IonicContact OE2-NZ 2.65Å; E434-K437 PolarHBondContact OE2-NZ 2.71Å; K437-P439 VanDerWaalsContact O-CD 3.27Å; K437-P439 WeakPolarHBondContact O-CD 3.48Å |
| 438 | D | 82.6 | Confident | 85.6 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 24% | 0.235 | 33% | 0.332 | C | S | . | . | trans | -71.8 | 120.4 | 174.3 | -174.6 | -4.9 | 0 | 0 | 0 | 108.2 | E440 G458 I459 R461 | D438-E440 PolarHBondContact O-N 2.77Å; D438-E440 PolarHBondContact OD1-N 2.85Å; D438-G458 VanDerWaalsContact CG-C 3.5Å; D438-G458 VanDerWaalsContact OD2-C 3.29Å; D438-G458 VanDerWaalsContact OD2-CA 3.28Å; D438-G458 WeakPolarHBondContact OD2-CA 3.31Å; D438-G458 PolarHBondContact OD2-N 2.95Å; D438-I459 HydrophobicContact CB-CG1 4.33Å; D438-R461 IonicContact OD1-NH2 2.84Å; D438-R461 PolarHBondContact OD1-NH2 2.8Å; D438-R461 IonicContact OD2-NH2 3.86Å | ||
| 439 | P | 82.9 | Confident | 85.5 | Confident | 13 Ų | 13 | 71.4 Ų | 71.4 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | trans | -71.7 | 2 | 174.7 | 27.6 | -32.1 | 0 | 0 | 0 | 113.4 | D430 I433 K437 L441 | D430-P439 HydrophobicContact CB-CB 3.75Å; D430-P439 HydrophobicContact CB-CG 4.46Å; I433-P439 HydrophobicContact CD1-CB 4.28Å; K437-P439 VanDerWaalsContact O-CD 3.27Å; K437-P439 WeakPolarHBondContact O-CD 3.48Å; P439-L441 HydrophobicContact CB-CD1 4.14Å; P439-L441 HydrophobicContact CB-CD2 4.23Å; P439-L441 HydrophobicContact CB-CG 3.82Å; P439-L441 HydrophobicContact CG-CD1 3.59Å; P439-L441 HydrophobicContact CG-CG 3.67Å; P439-L441 PolarHBondContact O-N 2.77Å; P439-L441 VanDerWaalsContact O-N 3.17Å | ||
| 440 | E | 85.5 | Confident | 85.3 | Confident | 155 Ų | 155 | 73.7 Ų | 73.7 | 72% | 0.724 | 37% | 0.374 | S | S | * | . | trans | 57.6 | 29.9 | 178 | -63.1 | -171.7 | 177.6 | 0 | 0 | 113.7 | D438 | D438-E440 PolarHBondContact O-N 2.77Å; D438-E440 PolarHBondContact OD1-N 2.85Å | ||
| 441 | L | 88.9 | Confident | 85.3 | Confident | 3 Ų | 3 | 74.1 Ų | 74.1 | 2% | 0.016 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 138.9 | -177.3 | -59.3 | 169.6 | 0 | 0 | 0 | 112.5 | P393 A428 P439 L443 A483 F484 D485 | P393-L441 HydrophobicContact CB-CD1 3.85Å; P393-L441 HydrophobicContact CB-CD2 3.8Å; P393-L441 HydrophobicContact CB-CG 4.48Å; P393-L441 HydrophobicContact CG-CD2 3.59Å; A428-L441 HydrophobicContact CB-CD1 3.72Å; P439-L441 HydrophobicContact CB-CD1 4.14Å; P439-L441 HydrophobicContact CB-CD2 4.23Å; P439-L441 HydrophobicContact CB-CG 3.82Å; P439-L441 HydrophobicContact CG-CD1 3.59Å; P439-L441 HydrophobicContact CG-CG 3.67Å; P439-L441 PolarHBondContact O-N 2.77Å; P439-L441 VanDerWaalsContact O-N 3.17Å; L441-L443 HydrophobicContact CB-CD1 4.27Å; L441-A483 HydrophobicContact CB-CB 4.48Å; L441-A483 HydrophobicContact CD1-CB 4.28Å; L441-F484 WeakPolarHBondContact CA-O 3Å; L441-D485 HydrophobicContact CD2-CB 3.61Å |
| 442 | H | 88.9 | Confident | 85.8 | Confident | 117 Ų | 117 | 68.3 Ų | 68.3 | 54% | 0.542 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 116.3 | 168.6 | -69.1 | -54.7 | 0 | 0 | 0 | 110.2 | F444 F484 | H442-F444 HydrophobicContact CB-CE2 4.08Å; H442-F444 HydrophobicContact CB-CZ 4.27Å; H442-F484 PolarHBondContact N-O 2.82Å; H442-F484 PolarHBondContact O-N 2.86Å |
| 443 | L | 90.7 | Very high | 86.3 | Confident | 22 Ų | 22 | 70.4 Ų | 70.4 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 129.5 | 177.4 | -74.8 | 79.8 | 0 | 0 | 0 | 110.5 | F395 I426 L441 V454 R461 I481 T482 A483 | F395-L443 HydrophobicContact CE1-CD2 3.97Å; F395-L443 HydrophobicContact CZ-CD2 4.34Å; I426-L443 HydrophobicContact CG2-CD2 4.04Å; L441-L443 HydrophobicContact CB-CD1 4.27Å; L443-V454 HydrophobicContact CB-CG1 3.83Å; L443-V454 HydrophobicContact CD2-CG2 4.19Å; L443-R461 HydrophobicContact CD1-CG 3.92Å; L443-R461 HydrophobicContact CD2-CB 4.33Å; L443-R461 HydrophobicContact CD2-CG 4.04Å; L443-I481 HydrophobicContact CB-CG2 4.27Å; L443-I481 HydrophobicContact CD2-CG2 4.07Å; L443-I481 HydrophobicContact CG-CG2 4.47Å; L443-T482 CarbonylContact C-O 3.05Å; L443-T482 VanDerWaalsContact CA-O 3.3Å; L443-T482 WeakPolarHBondContact CA-O 3.18Å; L443-A483 HydrophobicContact CG-CB 4.39Å |
| 444 | F | 89.8 | Confident | 86.8 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 47% | 0.465 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133 | 177.6 | -65.1 | -77.4 | 0 | 0 | 0 | 110.5 | H442 I481 T482 F484 | H442-F444 HydrophobicContact CB-CE2 4.08Å; H442-F444 HydrophobicContact CB-CZ 4.27Å; F444-I481 VanDerWaalsContact O-CA 3.29Å; F444-I481 WeakPolarHBondContact O-CA 3.49Å; F444-T482 PolarHBondContact N-O 2.8Å; F444-T482 PolarHBondContact O-N 2.83Å; F444-F484 HydrophobicContact CD2-CB 4.25Å; F444-F484 HydrophobicContact CE2-CB 3.83Å; F444-F484 HydrophobicContact CE2-CD1 4.25Å; F444-F484 HydrophobicContact CE2-CG 4.35Å |
| 445 | L | 90.9 | Very high | 87.4 | Confident | 21 Ų | 21 | 65.3 Ų | 65.3 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124.2 | 170 | -69 | 74.3 | 0 | 0 | 0 | 107.2 | D447 T449 F452 V454 L463 F479 I481 | L445-D447 VanDerWaalsContact C-N 3.29Å; L445-D447 PolarHBondContact O-N 3.32Å; L445-T449 HydrophobicContact CB-CG2 3.9Å; L445-T449 VanDerWaalsContact O-CG2 3.27Å; L445-T449 WeakPolarHBondContact O-CG2 3.49Å; L445-F452 HydrophobicContact CD2-CB 4.17Å; L445-V454 HydrophobicContact CD1-CB 4.12Å; L445-V454 HydrophobicContact CD1-CG1 3.73Å; L445-L463 HydrophobicContact CD2-CD2 4.18Å; L445-F479 HydrophobicContact CB-CD2 4.41Å; L445-F479 HydrophobicContact CB-CE2 4.43Å; L445-F479 HydrophobicContact CD2-CD2 4.23Å; L445-F479 HydrophobicContact CD2-CE2 3.52Å; L445-F479 HydrophobicContact CD2-CZ 3.99Å; L445-F479 HydrophobicContact CG-CD2 4.33Å; L445-F479 HydrophobicContact CG-CE2 3.88Å; L445-I481 HydrophobicContact CG-CD1 4.4Å; L445-I481 HydrophobicContact CG-CG1 4.22Å |
| 446 | N | 86.9 | Confident | 87.7 | Confident | 125 Ų | 125 | 65.4 Ų | 65.4 | 67% | 0.668 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -68.3 | -32 | -178.9 | -175.1 | 41.4 | 0 | 0 | 0 | 112.4 | L480 | N446-L480 HydrophobicContact CB-CB 4.23Å; N446-L480 PolarHBondContact N-O 2.92Å |
| 447 | D | 87.4 | Confident | 88 | Confident | 93 Ų | 93 | 65 Ų | 65 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -141.8 | 164.5 | -176.4 | -129.7 | -24.2 | 0 | 0 | 0 | 111.3 | L445 T449 F479 | L445-D447 VanDerWaalsContact C-N 3.29Å; L445-D447 PolarHBondContact O-N 3.32Å; D447-T449 VanDerWaalsContact C-N 3.26Å; D447-T449 PolarHBondContact O-N 3.31Å; D447-F479 HydrophobicContact CB-CB 4.12Å |
| 448 | Y | 90.2 | Very high | 88.1 | Confident | 63 Ų | 63 | 61 Ų | 61 | 25% | 0.247 | 34% | 0.338 | C | S | . | . | trans | 57.7 | 28.3 | 179.9 | -52 | -71.6 | 0 | 0 | 0 | 115.8 | S450 V451 F452 Q474 Y477 F479 | Y448-S450 PolarHBondContact O-N 2.66Å; Y448-V451 PolarHBondContact O-N 2.94Å; Y448-F452 PolarHBondContact O-N 2.82Å; Y448-Q474 PolarHBondContact OH-NE2 3.15Å; Y448-Y477 AromaticContact CD1-CD1 3.74Å; Y448-Y477 HydrophobicContact CD1-CD1 3.74Å; Y448-Y477 HydrophobicContact CD1-CE1 4.07Å; Y448-Y477 HydrophobicContact CD2-CD1 4.29Å; Y448-Y477 AromaticContact CE1-CD1 3.7Å; Y448-Y477 HydrophobicContact CE1-CD1 3.7Å; Y448-Y477 HydrophobicContact CE1-CE1 4.02Å; Y448-Y477 HydrophobicContact CE2-CD1 4.26Å; Y448-Y477 HydrophobicContact CG-CD1 4.04Å; Y448-Y477 AromaticContact CZ-CD1 3.97Å; Y448-F479 HydrophobicContact CD2-CB 3.97Å; Y448-F479 AromaticContact CD2-CD1 3.8Å; Y448-F479 HydrophobicContact CD2-CD1 3.8Å; Y448-F479 HydrophobicContact CD2-CG 4.22Å; Y448-F479 HydrophobicContact CE2-CB 4.44Å | ||
| 449 | T | 86.9 | Confident | 88.3 | Confident | 89 Ų | 89 | 61.6 Ų | 61.6 | 55% | 0.546 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.2 | 176.8 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | L445 D447 | L445-T449 HydrophobicContact CB-CG2 3.9Å; L445-T449 VanDerWaalsContact O-CG2 3.27Å; L445-T449 WeakPolarHBondContact O-CG2 3.49Å; D447-T449 VanDerWaalsContact C-N 3.26Å; D447-T449 PolarHBondContact O-N 3.31Å |
| 450 | S | 86.3 | Confident | 88.7 | Confident | 67 Ų | 67 | 62.9 Ų | 62.9 | 47% | 0.469 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -20.9 | 172.2 | 59 | 0 | 0 | 0 | 0 | 113.3 | Y448 Q467 | Y448-S450 PolarHBondContact O-N 2.66Å; S450-Q467 VanDerWaalsContact O-CD 3.31Å; S450-Q467 VanDerWaalsContact O-CG 3.31Å; S450-Q467 WeakPolarHBondContact O-CG 3.46Å |
| 451 | V | 89 | Confident | 88.9 | Confident | 16 Ų | 16 | 55.9 Ų | 55.9 | 10% | 0.097 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -42 | -174.8 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | Y448 L465 L466 V469 | Y448-V451 PolarHBondContact O-N 2.94Å; V451-L465 HydrophobicContact CG1-CD1 4.31Å; V451-L466 WeakPolarHBondContact O-CB 3.46Å; V451-L466 PolarHBondContact O-N 3.46Å; V451-V469 HydrophobicContact CG1-CG1 3.79Å |
| 452 | F | 93.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 149.7 | -179.4 | -54.9 | -72.9 | 0 | 0 | 0 | 111.5 | I414 L445 Y448 T464 L465 V469 Y477 F479 I497 | I414-F452 HydrophobicContact CD1-CD1 3.98Å; I414-F452 HydrophobicContact CD1-CE1 3.72Å; I414-F452 HydrophobicContact CG1-CD1 4.37Å; L445-F452 HydrophobicContact CD2-CB 4.17Å; Y448-F452 PolarHBondContact O-N 2.82Å; F452-T464 WeakPolarHBondContact CA-O 3.38Å; F452-L465 HydrophobicContact CD1-CD1 4.03Å; F452-L465 HydrophobicContact CE1-CD1 3.62Å; F452-L465 HydrophobicContact CZ-CD1 4.44Å; F452-V469 HydrophobicContact CZ-CG1 4.36Å; F452-Y477 HydrophobicContact CE2-CD1 4.02Å; F452-Y477 HydrophobicContact CE2-CD2 4.12Å; F452-Y477 AromaticContact CE2-CG 3.72Å; F452-Y477 HydrophobicContact CE2-CG 3.72Å; F452-Y477 AromaticContact CZ-CD2 3.96Å; F452-Y477 HydrophobicContact CZ-CD2 3.96Å; F452-Y477 HydrophobicContact CZ-CE2 4.44Å; F452-Y477 HydrophobicContact CZ-CG 4.05Å; F452-F479 AromaticContact CD2-CE1 3.86Å; F452-F479 HydrophobicContact CD2-CE1 3.86Å; F452-F479 HydrophobicContact CD2-CZ 4.29Å; F452-F479 HydrophobicContact CE2-CE1 4.25Å; F452-I497 HydrophobicContact CD1-CD1 3.91Å; F452-I497 HydrophobicContact CD2-CD1 4.1Å; F452-I497 HydrophobicContact CE1-CD1 3.71Å; F452-I497 HydrophobicContact CE1-CG2 4.48Å; F452-I497 HydrophobicContact CE2-CD1 3.92Å; F452-I497 HydrophobicContact CG-CD1 4.1Å; F452-I497 HydrophobicContact CZ-CD1 3.73Å; F452-I497 HydrophobicContact CZ-CG2 4.29Å |
| 453 | T | 92.5 | Very high | 89.4 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 158.7 | 170 | -167.1 | 0 | 0 | 0 | 0 | 111 | L463 T464 L466 | T453-L463 CarbonylContact O-C 3.57Å; T453-L463 WeakPolarHBondContact O-CA 3.3Å; T453-T464 WeakPolarHBondContact CG2-OG1 3.32Å; T453-T464 PolarHBondContact N-O 2.89Å; T453-T464 PolarHBondContact O-N 2.98Å; T453-L466 HydrophobicContact CG2-CD1 4.12Å; T453-L466 HydrophobicContact CG2-CD2 3.77Å; T453-L466 HydrophobicContact CG2-CG 3.78Å |
| 454 | V | 92.1 | Very high | 89.5 | Confident | 18 Ų | 18 | 54 Ų | 54 | 11% | 0.109 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 137.2 | 178.2 | 66.9 | 0 | 0 | 0 | 0 | 109.4 | L443 L445 R461 Y462 L463 | L443-V454 HydrophobicContact CB-CG1 3.83Å; L443-V454 HydrophobicContact CD2-CG2 4.19Å; L445-V454 HydrophobicContact CD1-CB 4.12Å; L445-V454 HydrophobicContact CD1-CG1 3.73Å; V454-R461 HydrophobicContact CG2-CB 3.77Å; V454-R461 HydrophobicContact CG2-CG 4.47Å; V454-Y462 WeakPolarHBondContact CA-O 3.33Å; V454-L463 HydrophobicContact CB-CD2 4.03Å; V454-L463 HydrophobicContact CG2-CD2 4.44Å |
| 455 | T | 89.8 | Confident | 89.6 | Confident | 40 Ų | 40 | 49 Ų | 49 | 25% | 0.245 | 28% | 0.284 | C | S | . | . | trans | -57.7 | 136.9 | 174.8 | 52.7 | 0 | 0 | 0 | 0 | 110.5 | R461 Y462 | T455-R461 WeakPolarHBondContact O-CD 3.35Å; T455-R461 PolarHBondContact O-NE 3.22Å; T455-R461 WeakPolarHBondContact OG1-CA 3.23Å; T455-Y462 HydrophobicContact CG2-CD2 4.48Å; T455-Y462 PolarHBondContact N-O 3.25Å; T455-Y462 PolarHBondContact OG1-N 2.86Å | ||
| 456 | P | 85.2 | Confident | 89.6 | Confident | 97 Ų | 97 | 51.7 Ų | 51.7 | 63% | 0.63 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -80.8 | -21.6 | -172 | 29.3 | -35.1 | 0 | 0 | 0 | 115.2 | R461 | P456-R461 PolarHBondContact O-NE 3.12Å; P456-R461 PolarHBondContact O-NH2 3.48Å |
| 457 | T | 85.9 | Confident | 89.7 | Confident | 107 Ų | 107 | 50.5 Ų | 50.5 | 66% | 0.656 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -133.7 | 156.9 | -169.4 | 58 | 0 | 0 | 0 | 0 | 113.5 | R461 | T457-R461 VanDerWaalsContact C-CZ 3.49Å; T457-R461 PolarHBondContact O-NH1 3.36Å |
| 458 | G | 85.1 | Confident | 89.8 | Confident | 30 Ų | 30 | 50.8 Ų | 50.8 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 114.4 | 179.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D438 R461 | D438-G458 VanDerWaalsContact CG-C 3.5Å; D438-G458 VanDerWaalsContact OD2-C 3.29Å; D438-G458 VanDerWaalsContact OD2-CA 3.28Å; D438-G458 WeakPolarHBondContact OD2-CA 3.31Å; D438-G458 PolarHBondContact OD2-N 2.95Å; G458-R461 VanDerWaalsContact CA-NH1 3.3Å; G458-R461 PolarHBondContact O-NH1 2.63Å; G458-R461 PolarHBondContact O-NH2 2.97Å |
| 459 | I | 86.4 | Confident | 89.8 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 29% | 0.292 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -87.7 | -35.1 | 166.3 | -63.3 | 167.1 | 0 | 0 | 0 | 110 | V427 L429 T436 D438 | V427-I459 HydrophobicContact CG1-CG2 4.12Å; L429-I459 HydrophobicContact CD2-CG2 3.96Å; T436-I459 WeakPolarHBondContact O-CD1 3.29Å; D438-I459 HydrophobicContact CB-CG1 4.33Å |
| 460 | T | 89.9 | Confident | 90 | Very high | 41 Ų | 41 | 46.8 Ų | 46.8 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.9 | 175 | -53.1 | 0 | 0 | 0 | 0 | 110.1 | R425 V427 Y462 | R425-T460 HydrophobicContact CB-CG2 3.56Å; R425-T460 HydrophobicContact CG-CG2 3.61Å; V427-T460 HydrophobicContact CG2-CG2 4.26Å; T460-Y462 HydrophobicContact CG2-CE1 3.94Å; T460-Y462 HydrophobicContact CG2-CE2 4.12Å |
| 461 | R | 91.7 | Very high | 90.3 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 146.4 | 175.3 | -59.3 | -86.7 | 174.5 | -74.8 | -4.7 | 109.7 | I426 D438 L443 V454 T455 P456 T457 G458 | I426-R461 HydrophobicContact CB-CB 4.18Å; I426-R461 PolarHBondContact N-O 3.26Å; I426-R461 WeakPolarHBondContact O-CB 3.36Å; I426-R461 PolarHBondContact O-N 3.12Å; D438-R461 IonicContact OD1-NH2 2.84Å; D438-R461 PolarHBondContact OD1-NH2 2.8Å; D438-R461 IonicContact OD2-NH2 3.86Å; L443-R461 HydrophobicContact CD1-CG 3.92Å; L443-R461 HydrophobicContact CD2-CB 4.33Å; L443-R461 HydrophobicContact CD2-CG 4.04Å; V454-R461 HydrophobicContact CG2-CB 3.77Å; V454-R461 HydrophobicContact CG2-CG 4.47Å; T455-R461 WeakPolarHBondContact O-CD 3.35Å; T455-R461 PolarHBondContact O-NE 3.22Å; T455-R461 WeakPolarHBondContact OG1-CA 3.23Å; P456-R461 PolarHBondContact O-NE 3.12Å; P456-R461 PolarHBondContact O-NH2 3.48Å; T457-R461 VanDerWaalsContact C-CZ 3.49Å; T457-R461 PolarHBondContact O-NH1 3.36Å; G458-R461 VanDerWaalsContact CA-NH1 3.3Å; G458-R461 PolarHBondContact O-NH1 2.63Å; G458-R461 PolarHBondContact O-NH2 2.97Å |
| 462 | Y | 93.6 | Very high | 90.3 | Very high | 75 Ų | 75 | 46.5 Ų | 46.5 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 142 | 179.1 | -57.9 | -81.6 | 0 | 0 | 0 | 110.7 | P423 L424 R425 V454 T455 T460 | P423-Y462 HydrophobicContact CB-CD1 3.88Å; P423-Y462 HydrophobicContact CB-CE1 4.05Å; P423-Y462 HydrophobicContact CG-CD1 4.21Å; P423-Y462 HydrophobicContact CG-CE1 3.85Å; L424-Y462 WeakPolarHBondContact O-CD1 3.41Å; R425-Y462 HydrophobicContact CG-CE1 3.91Å; V454-Y462 WeakPolarHBondContact CA-O 3.33Å; T455-Y462 HydrophobicContact CG2-CD2 4.48Å; T455-Y462 PolarHBondContact N-O 3.25Å; T455-Y462 PolarHBondContact OG1-N 2.86Å; T460-Y462 HydrophobicContact CG2-CE1 3.94Å; T460-Y462 HydrophobicContact CG2-CE2 4.12Å |
| 463 | L | 93.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 134.1 | 170.4 | -72.5 | 172.3 | 0 | 0 | 0 | 110.5 | T413 I414 L424 I426 L445 T453 V454 F479 I481 V495 I497 | T413-L463 WeakPolarHBondContact CA-O 3.37Å; I414-L463 HydrophobicContact CB-CB 4.09Å; I414-L463 HydrophobicContact CG1-CB 3.67Å; I414-L463 PolarHBondContact N-O 2.99Å; L424-L463 HydrophobicContact CD2-CD1 4.28Å; I426-L463 HydrophobicContact CD1-CD1 3.74Å; I426-L463 HydrophobicContact CD1-CD2 4.37Å; I426-L463 HydrophobicContact CD1-CG 3.69Å; L445-L463 HydrophobicContact CD2-CD2 4.18Å; T453-L463 CarbonylContact O-C 3.57Å; T453-L463 WeakPolarHBondContact O-CA 3.3Å; V454-L463 HydrophobicContact CB-CD2 4.03Å; V454-L463 HydrophobicContact CG2-CD2 4.44Å; L463-F479 HydrophobicContact CD1-CZ 4.25Å; L463-I481 HydrophobicContact CD1-CD1 4.46Å; L463-I481 HydrophobicContact CD2-CD1 4.36Å; L463-V495 HydrophobicContact CD1-CG1 3.87Å; L463-I497 HydrophobicContact CD1-CD1 4.34Å |
| 464 | T | 92.5 | Very high | 90 | Very high | 28 Ų | 28 | 54.8 Ų | 54.8 | 17% | 0.172 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 151.9 | 176.2 | 55.6 | 0 | 0 | 0 | 0 | 111.6 | A412 T413 F452 T453 | A412-T464 WeakPolarHBondContact O-CA 3.23Å; T413-T464 HydrophobicContact CG2-CG2 3.86Å; F452-T464 WeakPolarHBondContact CA-O 3.38Å; T453-T464 WeakPolarHBondContact CG2-OG1 3.32Å; T453-T464 PolarHBondContact N-O 2.89Å; T453-T464 PolarHBondContact O-N 2.98Å |
| 465 | L | 93.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 128.3 | 178.7 | -166.2 | 72.4 | 0 | 0 | 0 | 111.3 | I404 G411 A412 V451 F452 Q467 V469 | I404-L465 HydrophobicContact CD1-CB 3.95Å; I404-L465 HydrophobicContact CD1-CD1 3.67Å; I404-L465 HydrophobicContact CD1-CD2 3.72Å; I404-L465 HydrophobicContact CD1-CG 3.97Å; G411-L465 WeakPolarHBondContact CA-O 3.44Å; G411-L465 PolarHBondContact N-O 3.34Å; A412-L465 PolarHBondContact O-N 3.1Å; V451-L465 HydrophobicContact CG1-CD1 4.31Å; F452-L465 HydrophobicContact CD1-CD1 4.03Å; F452-L465 HydrophobicContact CE1-CD1 3.62Å; F452-L465 HydrophobicContact CZ-CD1 4.44Å; L465-Q467 WeakPolarHBondContact CD1-O 3.39Å; L465-Q467 WeakPolarHBondContact CD2-O 3.36Å; L465-Q467 WeakPolarHBondContact CG-O 3.49Å; L465-V469 HydrophobicContact CD1-CG1 3.73Å |
| 466 | L | 89.7 | Confident | 90 | Very high | 77 Ų | 77 | 61.1 Ų | 61.1 | 40% | 0.403 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -100.9 | -32 | 174.4 | -74.2 | -177.7 | 0 | 0 | 0 | 113.3 | V410 V451 T453 | V410-L466 WeakPolarHBondContact CG1-O 3.14Å; V410-L466 WeakPolarHBondContact CG2-O 3.45Å; V451-L466 WeakPolarHBondContact O-CB 3.46Å; V451-L466 PolarHBondContact O-N 3.46Å; T453-L466 HydrophobicContact CG2-CD1 4.12Å; T453-L466 HydrophobicContact CG2-CD2 3.77Å; T453-L466 HydrophobicContact CG2-CG 3.78Å |
| 467 | Q | 89.2 | Confident | 90.4 | Very high | 99 Ų | 99 | 57.3 Ų | 57.3 | 46% | 0.463 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -127.9 | 142.8 | 177.6 | -73.5 | -179 | -5.2 | 0 | 0 | 109.8 | S450 L465 V469 | S450-Q467 VanDerWaalsContact O-CD 3.31Å; S450-Q467 VanDerWaalsContact O-CG 3.31Å; S450-Q467 WeakPolarHBondContact O-CG 3.46Å; L465-Q467 WeakPolarHBondContact CD1-O 3.39Å; L465-Q467 WeakPolarHBondContact CD2-O 3.36Å; L465-Q467 WeakPolarHBondContact CG-O 3.49Å; Q467-V469 PolarHBondContact O-N 2.62Å |
| 468 | P | 89.2 | Confident | 90.7 | Very high | 100 Ų | 100 | 56 Ų | 56 | 65% | 0.649 | 30% | 0.296 | S | S | * | . | trans | -56.3 | 138.1 | 173.5 | 26 | -32.3 | 0 | 0 | 0 | 109.4 | ||||
| 469 | V | 91.1 | Very high | 91.1 | Very high | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | trans | -99.3 | 147.7 | 174.9 | -68.6 | 0 | 0 | 0 | 0 | 108.3 | I404 E406 V451 F452 L465 Q467 Y477 V499 | I404-V469 HydrophobicContact CG2-CG2 4.09Å; E406-V469 VanDerWaalsContact CG-O 3.27Å; E406-V469 WeakPolarHBondContact CG-O 3.45Å; V451-V469 HydrophobicContact CG1-CG1 3.79Å; F452-V469 HydrophobicContact CZ-CG1 4.36Å; L465-V469 HydrophobicContact CD1-CG1 3.73Å; Q467-V469 PolarHBondContact O-N 2.62Å; V469-Y477 HydrophobicContact CB-CE2 4.33Å; V469-Y477 HydrophobicContact CG1-CE2 3.92Å; V469-V499 HydrophobicContact CB-CG2 4.4Å; V469-V499 HydrophobicContact CG2-CG1 4Å; V469-V499 HydrophobicContact CG2-CG2 4.23Å | ||
| 470 | D | 90.7 | Very high | 91.4 | Very high | 60 Ų | 60 | 55.2 Ų | 55.2 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | trans | -122 | 124.6 | 175.3 | 178.6 | -32 | 0 | 0 | 0 | 107.5 | E406 E472 E473 Q474 | E406-D470 WeakPolarHBondContact OE1-CA 3.31Å; D470-E472 WeakPolarHBondContact OD1-CA 3.46Å; D470-E472 WeakPolarHBondContact OD1-CB 3.4Å; D470-E472 PolarHBondContact OD1-N 3.16Å; D470-E473 HydrophobicContact CB-CB 4.24Å; D470-E473 HydrophobicContact CB-CG 4.25Å; D470-E473 PolarHBondContact OD1-N 2.87Å; D470-E473 VanDerWaalsContact OD1-N 3.14Å; D470-Q474 PolarHBondContact O-N 2.94Å | ||
| 471 | R | 91.5 | Very high | 91.5 | Very high | 16 Ų | 16 | 53.4 Ų | 53.4 | 6% | 0.06 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -34.3 | -174.1 | -169.9 | -156.2 | 77.9 | 112.3 | 1.9 | 111 | E406 E473 Q474 Q475 V499 D501 A536 E538 | E406-R471 HydrophobicContact CG-CB 4.33Å; E406-R471 PolarHBondContact OE1-N 3.03Å; E406-R471 WeakPolarHBondContact OE2-CB 3.45Å; R471-E473 VanDerWaalsContact C-N 3.25Å; R471-E473 PolarHBondContact O-N 2.8Å; R471-Q474 CarbonylContact O-C 3.59Å; R471-Q474 PolarHBondContact O-N 3.42Å; R471-Q475 HydrophobicContact CG-CG 4.19Å; R471-Q475 WeakPolarHBondContact O-CG 3.31Å; R471-Q475 PolarHBondContact O-N 3.05Å; R471-V499 HydrophobicContact CB-CB 4.31Å; R471-V499 HydrophobicContact CB-CG1 3.82Å; R471-V499 HydrophobicContact CG-CB 4.18Å; R471-V499 HydrophobicContact CG-CG1 4.15Å; R471-D501 IonicContact CZ-OD1 3.72Å; R471-D501 VanDerWaalsContact CZ-OD1 3.28Å; R471-D501 IonicContact NE-OD1 3.47Å; R471-D501 PolarHBondContact NE-OD1 2.84Å; R471-D501 IonicContact NH1-OD1 3.83Å; R471-D501 IonicContact NH2-OD1 3.96Å; R471-A536 PolarHBondContact NH2-O 3.34Å; R471-E538 IonicContact NH1-OE2 3.85Å; R471-E538 PolarHBondContact NH1-OE2 3.23Å |
| 472 | E | 90.5 | Very high | 91.6 | Very high | 61 Ų | 61 | 54.6 Ų | 54.6 | 29% | 0.285 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -31.1 | 177.9 | -82 | 62.5 | -104.1 | 0 | 0 | 111.1 | D470 N505 A536 | D470-E472 WeakPolarHBondContact OD1-CA 3.46Å; D470-E472 WeakPolarHBondContact OD1-CB 3.4Å; D470-E472 PolarHBondContact OD1-N 3.16Å; E472-N505 PolarHBondContact OE2-ND2 3.37Å; E472-A536 HydrophobicContact CG-CB 3.59Å |
| 473 | E | 87.9 | Confident | 91.5 | Very high | 165 Ų | 165 | 51 Ų | 51 | 77% | 0.771 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -50 | 168.5 | -69.6 | -166.2 | 164.1 | 0 | 0 | 112.4 | D470 R471 | D470-E473 HydrophobicContact CB-CB 4.24Å; D470-E473 HydrophobicContact CB-CG 4.25Å; D470-E473 PolarHBondContact OD1-N 2.87Å; D470-E473 VanDerWaalsContact OD1-N 3.14Å; R471-E473 VanDerWaalsContact C-N 3.25Å; R471-E473 PolarHBondContact O-N 2.8Å |
| 474 | Q | 90.3 | Very high | 91.3 | Very high | 63 Ų | 63 | 53.5 Ų | 53.5 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | trans | -151 | 113.4 | -177 | -171.2 | 172.7 | -20.3 | 0 | 0 | 114.1 | Y448 D470 R471 T476 Y477 | Y448-Q474 PolarHBondContact OH-NE2 3.15Å; D470-Q474 PolarHBondContact O-N 2.94Å; R471-Q474 CarbonylContact O-C 3.59Å; R471-Q474 PolarHBondContact O-N 3.42Å; Q474-T476 PolarHBondContact NE2-O 2.68Å; Q474-Y477 VanDerWaalsContact CD-CE1 3.47Å; Q474-Y477 HydrophobicContact CG-CE1 4.2Å; Q474-Y477 HydrophobicContact CG-CE2 4.42Å; Q474-Y477 VanDerWaalsContact NE2-CD1 3.35Å | ||
| 475 | Q | 90 | Very high | 91.1 | Very high | 114 Ų | 114 | 53.7 Ų | 53.7 | 53% | 0.533 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -77.3 | -28 | -175.9 | -59.1 | -176 | -9.5 | 0 | 0 | 114.8 | R471 V499 | R471-Q475 HydrophobicContact CG-CG 4.19Å; R471-Q475 WeakPolarHBondContact O-CG 3.31Å; R471-Q475 PolarHBondContact O-N 3.05Å; Q475-V499 PolarHBondContact O-N 3.2Å |
| 476 | T | 92.3 | Very high | 90.5 | Very high | 78 Ų | 78 | 55.9 Ų | 55.9 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 136.7 | -173.7 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | Q474 I497 | Q474-T476 PolarHBondContact NE2-O 2.68Å; T476-I497 WeakPolarHBondContact CA-O 3.36Å |
| 477 | Y | 93.3 | Very high | 90.1 | Very high | 17 Ų | 17 | 57 Ų | 57 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.5 | 172.9 | -63.8 | -90.4 | 0 | 0 | 0 | 109.6 | Y448 F452 V469 Q474 N496 I497 V499 | Y448-Y477 AromaticContact CD1-CD1 3.74Å; Y448-Y477 HydrophobicContact CD1-CD1 3.74Å; Y448-Y477 HydrophobicContact CD1-CE1 4.07Å; Y448-Y477 HydrophobicContact CD2-CD1 4.29Å; Y448-Y477 AromaticContact CE1-CD1 3.7Å; Y448-Y477 HydrophobicContact CE1-CD1 3.7Å; Y448-Y477 HydrophobicContact CE1-CE1 4.02Å; Y448-Y477 HydrophobicContact CE2-CD1 4.26Å; Y448-Y477 HydrophobicContact CG-CD1 4.04Å; Y448-Y477 AromaticContact CZ-CD1 3.97Å; F452-Y477 HydrophobicContact CE2-CD1 4.02Å; F452-Y477 HydrophobicContact CE2-CD2 4.12Å; F452-Y477 AromaticContact CE2-CG 3.72Å; F452-Y477 HydrophobicContact CE2-CG 3.72Å; F452-Y477 AromaticContact CZ-CD2 3.96Å; F452-Y477 HydrophobicContact CZ-CD2 3.96Å; F452-Y477 HydrophobicContact CZ-CE2 4.44Å; F452-Y477 HydrophobicContact CZ-CG 4.05Å; V469-Y477 HydrophobicContact CB-CE2 4.33Å; V469-Y477 HydrophobicContact CG1-CE2 3.92Å; Q474-Y477 VanDerWaalsContact CD-CE1 3.47Å; Q474-Y477 HydrophobicContact CG-CE1 4.2Å; Q474-Y477 HydrophobicContact CG-CE2 4.42Å; Q474-Y477 VanDerWaalsContact NE2-CD1 3.35Å; Y477-N496 CarbonylContact O-C 3.6Å; Y477-N496 WeakPolarHBondContact O-CA 3.22Å; Y477-I497 PolarHBondContact N-O 3.31Å; Y477-I497 PolarHBondContact O-N 2.92Å; Y477-V499 HydrophobicContact CD2-CG2 4.05Å; Y477-V499 HydrophobicContact CE2-CG2 3.74Å |
| 478 | T | 92.7 | Very high | 89.8 | Confident | 79 Ų | 79 | 55.2 Ų | 55.2 | 49% | 0.485 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 119.2 | -179.7 | 61.3 | 0 | 0 | 0 | 0 | 109.4 | V495 N496 | T478-V495 WeakPolarHBondContact CA-O 3.47Å; T478-N496 WeakPolarHBondContact CB-OD1 3.31Å; T478-N496 HydrophobicContact CG2-CB 4.43Å; T478-N496 WeakPolarHBondContact CG2-OD1 3.41Å |
| 479 | F | 93.3 | Very high | 89.8 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 4% | 0.044 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 171.5 | -179.1 | 57.4 | -88.6 | 0 | 0 | 0 | 111.7 | L445 D447 Y448 F452 L463 I481 V495 I497 | L445-F479 HydrophobicContact CB-CD2 4.41Å; L445-F479 HydrophobicContact CB-CE2 4.43Å; L445-F479 HydrophobicContact CD2-CD2 4.23Å; L445-F479 HydrophobicContact CD2-CE2 3.52Å; L445-F479 HydrophobicContact CD2-CZ 3.99Å; L445-F479 HydrophobicContact CG-CD2 4.33Å; L445-F479 HydrophobicContact CG-CE2 3.88Å; D447-F479 HydrophobicContact CB-CB 4.12Å; Y448-F479 HydrophobicContact CD2-CB 3.97Å; Y448-F479 AromaticContact CD2-CD1 3.8Å; Y448-F479 HydrophobicContact CD2-CD1 3.8Å; Y448-F479 HydrophobicContact CD2-CG 4.22Å; Y448-F479 HydrophobicContact CE2-CB 4.44Å; F452-F479 AromaticContact CD2-CE1 3.86Å; F452-F479 HydrophobicContact CD2-CE1 3.86Å; F452-F479 HydrophobicContact CD2-CZ 4.29Å; F452-F479 HydrophobicContact CE2-CE1 4.25Å; L463-F479 HydrophobicContact CD1-CZ 4.25Å; F479-I481 HydrophobicContact CD2-CG1 4.07Å; F479-I481 HydrophobicContact CE2-CD1 3.9Å; F479-I481 HydrophobicContact CE2-CG1 3.79Å; F479-V495 HydrophobicContact CD2-CB 4.41Å; F479-V495 HydrophobicContact CE1-CG1 4.47Å; F479-V495 HydrophobicContact CE2-CB 4.04Å; F479-V495 HydrophobicContact CE2-CG1 4.38Å; F479-V495 HydrophobicContact CE2-CG2 4.47Å; F479-V495 HydrophobicContact CZ-CB 4.12Å; F479-V495 HydrophobicContact CZ-CG1 4.02Å; F479-V495 PolarHBondContact N-O 3.42Å; F479-V495 PolarHBondContact O-N 2.85Å; F479-I497 HydrophobicContact CE1-CD1 3.8Å; F479-I497 HydrophobicContact CE1-CG1 4.36Å; F479-I497 HydrophobicContact CZ-CD1 4.03Å |
| 480 | L | 93.2 | Very high | 89.7 | Confident | 61 Ų | 61 | 56.3 Ų | 56.3 | 32% | 0.319 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 143.9 | 179.2 | -65.3 | 171.9 | 0 | 0 | 0 | 110.9 | N446 P492 V493 V494 | N446-L480 HydrophobicContact CB-CB 4.23Å; N446-L480 PolarHBondContact N-O 2.92Å; L480-P492 HydrophobicContact CB-CB 4.34Å; L480-P492 HydrophobicContact CD1-CB 4.29Å; L480-P492 HydrophobicContact CD2-CB 4.35Å; L480-V493 CarbonylContact C-O 3.51Å; L480-V493 WeakPolarHBondContact CA-O 3.28Å; L480-V494 HydrophobicContact CD2-CB 4.27Å; L480-V494 HydrophobicContact CD2-CG2 3.52Å |
| 481 | I | 92.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 135.5 | 170.2 | -56.5 | -174.8 | 0 | 0 | 0 | 109.4 | F395 I426 L443 F444 L445 L463 F479 V493 V495 | F395-I481 HydrophobicContact CE1-CG2 4.32Å; F395-I481 HydrophobicContact CZ-CB 4.44Å; F395-I481 HydrophobicContact CZ-CG2 3.82Å; I426-I481 HydrophobicContact CD1-CD1 3.91Å; L443-I481 HydrophobicContact CB-CG2 4.27Å; L443-I481 HydrophobicContact CD2-CG2 4.07Å; L443-I481 HydrophobicContact CG-CG2 4.47Å; F444-I481 VanDerWaalsContact O-CA 3.29Å; F444-I481 WeakPolarHBondContact O-CA 3.49Å; L445-I481 HydrophobicContact CG-CD1 4.4Å; L445-I481 HydrophobicContact CG-CG1 4.22Å; L463-I481 HydrophobicContact CD1-CD1 4.46Å; L463-I481 HydrophobicContact CD2-CD1 4.36Å; F479-I481 HydrophobicContact CD2-CG1 4.07Å; F479-I481 HydrophobicContact CE2-CD1 3.9Å; F479-I481 HydrophobicContact CE2-CG1 3.79Å; I481-V493 PolarHBondContact N-O 3.34Å; I481-V493 PolarHBondContact O-N 3.5Å; I481-V495 HydrophobicContact CB-CG2 4.5Å; I481-V495 HydrophobicContact CD1-CB 4.42Å; I481-V495 HydrophobicContact CD1-CG2 3.47Å; I481-V495 VanDerWaalsContact CD1-CG2 3.47Å; I481-V495 HydrophobicContact CG1-CG2 3.72Å |
| 482 | T | 92.7 | Very high | 89.7 | Confident | 32 Ų | 32 | 63.7 Ų | 63.7 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 150.4 | 170.9 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | L443 F444 P492 | L443-T482 CarbonylContact C-O 3.05Å; L443-T482 VanDerWaalsContact CA-O 3.3Å; L443-T482 WeakPolarHBondContact CA-O 3.18Å; F444-T482 PolarHBondContact N-O 2.8Å; F444-T482 PolarHBondContact O-N 2.83Å; T482-P492 HydrophobicContact CG2-CB 3.68Å |
| 483 | A | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 142.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P393 F395 A428 L441 L443 E489 S490 | P393-A483 HydrophobicContact CB-CB 4.16Å; F395-A483 HydrophobicContact CE2-CB 4.17Å; F395-A483 HydrophobicContact CZ-CB 3.83Å; A428-A483 HydrophobicContact CB-CB 4.07Å; L441-A483 HydrophobicContact CB-CB 4.48Å; L441-A483 HydrophobicContact CD1-CB 4.28Å; L443-A483 HydrophobicContact CG-CB 4.39Å; A483-E489 WeakPolarHBondContact O-CA 3.38Å; A483-S490 PolarHBondContact N-OG 2.86Å; A483-S490 PolarHBondContact O-N 3.34Å; A483-S490 PolarHBondContact O-OG 3.44Å |
| 484 | F | 90.7 | Very high | 90 | Very high | 53 Ų | 53 | 56.4 Ų | 56.4 | 23% | 0.232 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 130.7 | -177.3 | -179.9 | -118.5 | 0 | 0 | 0 | 110.5 | L441 H442 F444 G486 Q488 E489 | L441-F484 WeakPolarHBondContact CA-O 3Å; H442-F484 PolarHBondContact N-O 2.82Å; H442-F484 PolarHBondContact O-N 2.86Å; F444-F484 HydrophobicContact CD2-CB 4.25Å; F444-F484 HydrophobicContact CE2-CB 3.83Å; F444-F484 HydrophobicContact CE2-CD1 4.25Å; F444-F484 HydrophobicContact CE2-CG 4.35Å; F484-G486 VanDerWaalsContact CZ-O 3.23Å; F484-G486 WeakPolarHBondContact CZ-O 3.43Å; F484-Q488 WeakPolarHBondContact CD2-O 3.41Å; F484-E489 HydrophobicContact CB-CG 4.44Å; F484-E489 HydrophobicContact CD2-CG 3.55Å; F484-E489 HydrophobicContact CE2-CG 4.23Å; F484-E489 HydrophobicContact CG-CG 4.38Å |
| 485 | D | 87.4 | Confident | 90.2 | Very high | 32 Ų | 32 | 53.4 Ų | 53.4 | 17% | 0.171 | 30% | 0.295 | C | S | . | . | trans | -95 | -9.3 | 178.9 | 60.1 | 48.6 | 0 | 0 | 0 | 114.2 | N389 P393 L441 V487 Q488 | N389-D485 PolarHBondContact ND2-OD1 3.4Å; N389-D485 VanDerWaalsContact ND2-OD1 3.15Å; P393-D485 WeakPolarHBondContact CD-OD2 3.48Å; P393-D485 HydrophobicContact CG-CB 3.88Å; P393-D485 VanDerWaalsContact CG-OD2 3.24Å; P393-D485 WeakPolarHBondContact CG-OD2 3.22Å; L441-D485 HydrophobicContact CD2-CB 3.61Å; D485-V487 WeakPolarHBondContact OD1-CA 3.41Å; D485-V487 PolarHBondContact OD1-N 2.82Å; D485-Q488 PolarHBondContact N-O 2.74Å; D485-Q488 PolarHBondContact OD1-N 2.87Å; D485-Q488 WeakPolarHBondContact OD2-CB 3.15Å; D485-Q488 PolarHBondContact OD2-N 3.36Å | ||
| 486 | G | 81 | Confident | 90.3 | Very high | 48 Ų | 48 | 50.5 Ų | 50.5 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 115.8 | -23.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F484 | F484-G486 VanDerWaalsContact CZ-O 3.23Å; F484-G486 WeakPolarHBondContact CZ-O 3.43Å |
| 487 | V | 81.7 | Confident | 90.4 | Very high | 101 Ų | 101 | 46.9 Ų | 46.9 | 61% | 0.612 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -124 | -47 | -180 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | N389 D485 | N389-V487 WeakPolarHBondContact ND2-CG2 3.32Å; D485-V487 WeakPolarHBondContact OD1-CA 3.41Å; D485-V487 PolarHBondContact OD1-N 2.82Å |
| 488 | Q | 82.8 | Confident | 90.4 | Very high | 61 Ų | 61 | 51.9 Ų | 51.9 | 29% | 0.285 | 28% | 0.279 | S | S | . | . | trans | -120.9 | 153.3 | -174.6 | -56.5 | -173 | 92.9 | 0 | 0 | 113.1 | N390 Q391 F484 D485 | N390-Q488 PolarHBondContact O-NE2 3.24Å; Q391-Q488 PolarHBondContact O-NE2 2.92Å; F484-Q488 WeakPolarHBondContact CD2-O 3.41Å; D485-Q488 PolarHBondContact N-O 2.74Å; D485-Q488 PolarHBondContact OD1-N 2.87Å; D485-Q488 WeakPolarHBondContact OD2-CB 3.15Å; D485-Q488 PolarHBondContact OD2-N 3.36Å | ||
| 489 | E | 88.1 | Confident | 90.3 | Very high | 124 Ų | 124 | 48.3 Ų | 48.3 | 58% | 0.579 | 26% | 0.258 | S | S | * | . | B | Isolated β-bridge | trans | -111.8 | 143.5 | 177.7 | -71.2 | -175.7 | -178.2 | 0 | 0 | 110.9 | A483 F484 | A483-E489 WeakPolarHBondContact O-CA 3.38Å; F484-E489 HydrophobicContact CB-CG 4.44Å; F484-E489 HydrophobicContact CD2-CG 3.55Å; F484-E489 HydrophobicContact CE2-CG 4.23Å; F484-E489 HydrophobicContact CG-CG 4.38Å |
| 490 | S | 90.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 157.9 | 173.2 | 73.3 | 0 | 0 | 0 | 0 | 112.4 | P393 F395 A483 | P393-S490 WeakPolarHBondContact O-CA 3.34Å; P393-S490 WeakPolarHBondContact O-CB 3.18Å; F395-S490 VanDerWaalsContact CE2-OG 3.3Å; F395-S490 WeakPolarHBondContact CE2-OG 3.2Å; A483-S490 PolarHBondContact N-OG 2.86Å; A483-S490 PolarHBondContact O-N 3.34Å; A483-S490 PolarHBondContact O-OG 3.44Å |
| 491 | E | 89.4 | Confident | 90 | Very high | 165 Ų | 165 | 48.9 Ų | 48.9 | 77% | 0.771 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 134.6 | 163.5 | -70.5 | -64.9 | 143.9 | 0 | 0 | 111.6 | ||
| 492 | P | 91.8 | Very high | 89.8 | Confident | 66 Ų | 66 | 49.6 Ų | 49.6 | 43% | 0.429 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 136 | -176.4 | 26.6 | -33.5 | 0 | 0 | 0 | 112 | L480 T482 | L480-P492 HydrophobicContact CB-CB 4.34Å; L480-P492 HydrophobicContact CD1-CB 4.29Å; L480-P492 HydrophobicContact CD2-CB 4.35Å; T482-P492 HydrophobicContact CG2-CB 3.68Å |
| 493 | V | 92.4 | Very high | 89.7 | Confident | 13 Ų | 13 | 48.7 Ų | 48.7 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137.7 | -179.8 | 168.2 | 0 | 0 | 0 | 0 | 111.6 | F395 P398 Y400 L480 I481 | F395-V493 HydrophobicContact CB-CG2 3.87Å; F395-V493 HydrophobicContact CD2-CB 3.99Å; F395-V493 HydrophobicContact CD2-CG2 3.53Å; F395-V493 HydrophobicContact CE2-CB 4.42Å; F395-V493 HydrophobicContact CE2-CG2 4.35Å; F395-V493 HydrophobicContact CG-CB 4.34Å; F395-V493 HydrophobicContact CG-CG2 3.91Å; P398-V493 WeakPolarHBondContact O-CG1 3.31Å; Y400-V493 HydrophobicContact CD2-CG1 3.68Å; Y400-V493 HydrophobicContact CE2-CG1 3.83Å; L480-V493 CarbonylContact C-O 3.51Å; L480-V493 WeakPolarHBondContact CA-O 3.28Å; I481-V493 PolarHBondContact N-O 3.34Å; I481-V493 PolarHBondContact O-N 3.5Å |
| 494 | V | 93.1 | Very high | 89.5 | Confident | 60 Ų | 60 | 52 Ų | 52 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 131.3 | 179.6 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | S399 Y400 L480 N496 | S399-V494 CarbonylContact C-O 3.57Å; S399-V494 VanDerWaalsContact CA-O 3.26Å; S399-V494 WeakPolarHBondContact CA-O 3.45Å; S399-V494 WeakPolarHBondContact CB-O 3.26Å; Y400-V494 PolarHBondContact N-O 2.82Å; L480-V494 HydrophobicContact CD2-CB 4.27Å; L480-V494 HydrophobicContact CD2-CG2 3.52Å; V494-N496 WeakPolarHBondContact CG1-OD1 3.29Å |
| 495 | V | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.4 | 171 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | Y400 L463 T478 F479 I481 I497 | Y400-V495 HydrophobicContact CD2-CG2 4.25Å; Y400-V495 WeakPolarHBondContact O-CA 3.17Å; L463-V495 HydrophobicContact CD1-CG1 3.87Å; T478-V495 WeakPolarHBondContact CA-O 3.47Å; F479-V495 HydrophobicContact CD2-CB 4.41Å; F479-V495 HydrophobicContact CE1-CG1 4.47Å; F479-V495 HydrophobicContact CE2-CB 4.04Å; F479-V495 HydrophobicContact CE2-CG1 4.38Å; F479-V495 HydrophobicContact CE2-CG2 4.47Å; F479-V495 HydrophobicContact CZ-CB 4.12Å; F479-V495 HydrophobicContact CZ-CG1 4.02Å; F479-V495 PolarHBondContact N-O 3.42Å; F479-V495 PolarHBondContact O-N 2.85Å; I481-V495 HydrophobicContact CB-CG2 4.5Å; I481-V495 HydrophobicContact CD1-CB 4.42Å; I481-V495 HydrophobicContact CD1-CG2 3.47Å; I481-V495 VanDerWaalsContact CD1-CG2 3.47Å; I481-V495 HydrophobicContact CG1-CG2 3.72Å; V495-I497 HydrophobicContact CG1-CG1 4.16Å |
| 496 | N | 93.4 | Very high | 89.6 | Confident | 53 Ų | 53 | 52.7 Ų | 52.7 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 118.4 | 178.9 | -70.3 | -21.1 | 0 | 0 | 0 | 109.6 | Y400 Q401 G402 Y477 T478 V494 | Y400-N496 PolarHBondContact O-N 3.21Å; Q401-N496 CarbonylContact C-O 3.55Å; Q401-N496 WeakPolarHBondContact CA-O 3.39Å; Q401-N496 PolarHBondContact NE2-O 3.23Å; Q401-N496 VanDerWaalsContact NE2-O 3.12Å; G402-N496 PolarHBondContact N-O 3.11Å; Y477-N496 CarbonylContact O-C 3.6Å; Y477-N496 WeakPolarHBondContact O-CA 3.22Å; T478-N496 WeakPolarHBondContact CB-OD1 3.31Å; T478-N496 HydrophobicContact CG2-CB 4.43Å; T478-N496 WeakPolarHBondContact CG2-OD1 3.41Å; V494-N496 WeakPolarHBondContact CG1-OD1 3.29Å |
| 497 | I | 93 | Very high | 90.2 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.7 | 177.9 | -55.5 | 177.5 | 0 | 0 | 0 | 108.6 | G402 I404 I414 F452 L463 T476 Y477 F479 V495 | G402-I497 WeakPolarHBondContact O-CA 3.48Å; I404-I497 HydrophobicContact CG2-CG2 4.04Å; I414-I497 HydrophobicContact CD1-CD1 4.29Å; I414-I497 HydrophobicContact CD1-CG2 4.34Å; I414-I497 HydrophobicContact CG1-CD1 4.13Å; I414-I497 HydrophobicContact CG2-CD1 4.36Å; I414-I497 HydrophobicContact CG2-CG1 4.35Å; I414-I497 HydrophobicContact CG2-CG2 4.27Å; F452-I497 HydrophobicContact CD1-CD1 3.91Å; F452-I497 HydrophobicContact CD2-CD1 4.1Å; F452-I497 HydrophobicContact CE1-CD1 3.71Å; F452-I497 HydrophobicContact CE1-CG2 4.48Å; F452-I497 HydrophobicContact CE2-CD1 3.92Å; F452-I497 HydrophobicContact CG-CD1 4.1Å; F452-I497 HydrophobicContact CZ-CD1 3.73Å; F452-I497 HydrophobicContact CZ-CG2 4.29Å; L463-I497 HydrophobicContact CD1-CD1 4.34Å; T476-I497 WeakPolarHBondContact CA-O 3.36Å; Y477-I497 PolarHBondContact N-O 3.31Å; Y477-I497 PolarHBondContact O-N 2.92Å; F479-I497 HydrophobicContact CE1-CD1 3.8Å; F479-I497 HydrophobicContact CE1-CG1 4.36Å; F479-I497 HydrophobicContact CZ-CD1 4.03Å; V495-I497 HydrophobicContact CG1-CG1 4.16Å |
| 498 | R | 92.8 | Very high | 90.6 | Very high | 122 Ų | 122 | 49.3 Ų | 49.3 | 46% | 0.46 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 129.1 | 173.4 | -176.4 | 175.1 | 179.3 | 171.7 | -0.5 | 110.2 | G402 Y403 I404 | G402-R498 PolarHBondContact O-N 2.96Å; Y403-R498 WeakPolarHBondContact CA-O 3.33Å; Y403-R498 HydrophobicContact CD1-CB 3.94Å; Y403-R498 HydrophobicContact CE1-CB 4.12Å; I404-R498 PolarHBondContact N-O 3.45Å; I404-R498 VanDerWaalsContact N-O 3.1Å |
| 499 | V | 92.4 | Very high | 91 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 131.4 | 173.3 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | I404 E406 V469 R471 Q475 Y477 | I404-V499 HydrophobicContact CG2-CG2 4.25Å; I404-V499 CarbonylContact O-C 3.52Å; I404-V499 WeakPolarHBondContact O-CA 3.28Å; E406-V499 HydrophobicContact CB-CG1 3.81Å; E406-V499 HydrophobicContact CG-CG1 4.34Å; V469-V499 HydrophobicContact CB-CG2 4.4Å; V469-V499 HydrophobicContact CG2-CG1 4Å; V469-V499 HydrophobicContact CG2-CG2 4.23Å; R471-V499 HydrophobicContact CB-CB 4.31Å; R471-V499 HydrophobicContact CB-CG1 3.82Å; R471-V499 HydrophobicContact CG-CB 4.18Å; R471-V499 HydrophobicContact CG-CG1 4.15Å; Q475-V499 PolarHBondContact O-N 3.2Å; Y477-V499 HydrophobicContact CD2-CG2 4.05Å; Y477-V499 HydrophobicContact CE2-CG2 3.74Å |
| 500 | M | 89.9 | Confident | 91 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133.2 | 178.3 | -64.8 | -177.4 | 58.6 | 0 | 0 | 110 | I404 L405 E406 L418 L420 | I404-M500 PolarHBondContact O-N 2.9Å; L405-M500 HydrophobicContact CD1-CB 3.97Å; E406-M500 PolarHBondContact N-O 2.91Å; L418-M500 WeakPolarHBondContact O-CE 3.46Å; L420-M500 HydrophobicContact CD1-SD 4.05Å; L420-M500 HydrophobicContact CD2-SD 3.77Å; L420-M500 HydrophobicContact CG-SD 3.91Å |
| 501 | D | 89.6 | Confident | 91 | Very high | 32 Ų | 32 | 50.9 Ų | 50.9 | 17% | 0.171 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 136.1 | 178.7 | -172.9 | 88.6 | 0 | 0 | 0 | 112.6 | R471 E538 N541 | R471-D501 IonicContact CZ-OD1 3.72Å; R471-D501 VanDerWaalsContact CZ-OD1 3.28Å; R471-D501 IonicContact NE-OD1 3.47Å; R471-D501 PolarHBondContact NE-OD1 2.84Å; R471-D501 IonicContact NH1-OD1 3.83Å; R471-D501 IonicContact NH2-OD1 3.96Å; D501-E538 HydrophobicContact CB-CB 4.11Å; D501-E538 WeakPolarHBondContact OD1-CB 3.34Å; D501-E538 PolarHBondContact OD1-N 2.89Å; D501-N541 PolarHBondContact OD2-ND2 3.11Å |
| 502 | A | 87.5 | Confident | 90.8 | Very high | 16 Ų | 16 | 50 Ų | 50 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | trans | -121.9 | 147.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | D504 | A502-D504 PolarHBondContact O-N 3.18Š| ||
| 503 | N | 90.7 | Very high | 90.7 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -74.7 | 75.2 | 177.1 | -163 | 54.3 | 0 | 0 | 0 | 110.2 | D537 N541 D587 A589 E593 R595 | N503-D537 WeakPolarHBondContact CA-OD2 3.44Å; N503-D537 PolarHBondContact OD1-OD2 2.76Å; N503-D537 VanDerWaalsContact OD1-OD2 3.04Å; N503-N541 HydrophobicContact CB-CB 4.11Å; N503-N541 WeakPolarHBondContact OD1-CA 3.11Å; N503-N541 WeakPolarHBondContact OD1-CB 3.34Å; N503-N541 PolarHBondContact OD1-O 2.78Å; N503-D587 PolarHBondContact ND2-OD2 2.85Å; N503-A589 HydrophobicContact CB-CB 4.39Å; N503-E593 PolarHBondContact ND2-O 3.23Å; N503-R595 PolarHBondContact O-NE 3.25Å; N503-R595 PolarHBondContact O-NH2 2.67Å |
| 504 | D | 88 | Confident | 90.6 | Very high | 70 Ų | 70 | 50.1 Ų | 50.1 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | trans | -113.6 | -12.6 | -174.2 | 89.8 | -29.7 | 0 | 0 | 0 | 114.9 | A502 D537 R595 | A502-D504 PolarHBondContact O-N 3.18Å; D504-D537 PolarHBondContact N-OD2 2.78Å; D504-R595 VanDerWaalsContact C-NH1 3.27Å; D504-R595 PolarHBondContact O-NH1 2.81Å | ||
| 505 | N | 90.1 | Very high | 90.3 | Very high | 54 Ų | 54 | 52.8 Ų | 52.8 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -84.8 | 169.9 | 163.8 | -68 | -82.6 | 0 | 0 | 0 | 110.7 | E472 D535 D537 R595 | E472-N505 PolarHBondContact OE2-ND2 3.37Å; N505-D535 WeakPolarHBondContact CB-OD1 3.1Å; N505-D537 VanDerWaalsContact CB-OD1 3.26Å; N505-D537 WeakPolarHBondContact CB-OD1 3.27Å; N505-D537 PolarHBondContact N-OD1 2.97Å; N505-D537 PolarHBondContact N-OD2 3.28Å; N505-D537 VanDerWaalsContact N-OD2 3.14Å; N505-D537 PolarHBondContact ND2-OD1 3.38Å; N505-R595 WeakPolarHBondContact O-CD 3.4Å; N505-R595 PolarHBondContact O-NH1 2.84Å |
| 506 | T | 90 | Very high | 89.9 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 28% | 0.282 | 28% | 0.284 | S | S | . | . | trans | -134.7 | 138 | 177 | -62.3 | 0 | 0 | 0 | 0 | 106.3 | T508 R595 | T506-T508 VanDerWaalsContact O-CG2 3.25Å; T506-T508 WeakPolarHBondContact O-CG2 3.39Å; T506-T508 PolarHBondContact O-N 2.84Å; T506-R595 HydrophobicContact CG2-CB 3.99Å; T506-R595 WeakPolarHBondContact OG1-CD 3.25Å | ||
| 507 | P | 93.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -58.3 | 117.9 | 178 | -20.3 | 28.1 | 0 | 0 | 0 | 108.5 | A533 D535 I544 A585 D587 S597 | P507-A533 HydrophobicContact CB-CB 4.42Å; P507-D535 HydrophobicContact CB-CB 4.4Å; P507-D535 WeakPolarHBondContact CD-OD2 3.26Å; P507-D535 HydrophobicContact CG-CB 4.4Å; P507-D535 WeakPolarHBondContact CG-OD2 3.32Å; P507-I544 HydrophobicContact CB-CD1 4.14Å; P507-I544 HydrophobicContact CB-CG1 4.07Å; P507-I544 HydrophobicContact CB-CG2 4.19Å; P507-I544 HydrophobicContact CG-CG1 4.39Å; P507-A585 HydrophobicContact CB-CB 4.01Å; P507-D587 HydrophobicContact CG-CB 3.96Å; P507-S597 WeakPolarHBondContact O-CB 3.38Å; P507-S597 PolarHBondContact O-OG 3.44Å | ||
| 508 | T | 90.8 | Very high | 88.9 | Confident | 78 Ų | 78 | 57.4 Ų | 57.4 | 48% | 0.479 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -119.4 | 135.1 | -174.5 | 50.9 | 0 | 0 | 0 | 0 | 111.8 | T506 A533 V534 | T506-T508 VanDerWaalsContact O-CG2 3.25Å; T506-T508 WeakPolarHBondContact O-CG2 3.39Å; T506-T508 PolarHBondContact O-N 2.84Å; T508-A533 CarbonylContact O-C 3.52Å; T508-A533 WeakPolarHBondContact O-CA 3.31Å; T508-V534 PolarHBondContact N-O 2.83Å; T508-V534 PolarHBondContact O-N 3.5Å; T508-V534 PolarHBondContact OG1-O 2.73Å |
| 509 | F | 91.2 | Very high | 88.3 | Confident | 23 Ų | 23 | 55.7 Ų | 55.7 | 10% | 0.101 | 29% | 0.289 | C | S | . | . | trans | -83.1 | 139.4 | 169.7 | -63.7 | -79.9 | 0 | 0 | 0 | 109.9 | E511 L531 A533 Y546 V583 A585 S597 C599 | F509-E511 WeakPolarHBondContact CB-O 3.41Å; F509-E511 PolarHBondContact O-N 3.43Å; F509-L531 HydrophobicContact CE1-CB 4.1Å; F509-A533 HydrophobicContact CD1-CB 3.92Å; F509-A533 HydrophobicContact CE1-CB 3.88Å; F509-A533 HydrophobicContact CG-CB 4.33Å; F509-A533 HydrophobicContact CZ-CB 4.26Å; F509-Y546 HydrophobicContact CE1-CD1 4.17Å; F509-Y546 AromaticContact CE1-CE1 3.79Å; F509-Y546 HydrophobicContact CE1-CE1 3.79Å; F509-Y546 HydrophobicContact CZ-CD1 4.18Å; F509-Y546 HydrophobicContact CZ-CE1 4.14Å; F509-V583 HydrophobicContact CZ-CG1 4.33Å; F509-A585 HydrophobicContact CE1-CB 4.19Å; F509-A585 HydrophobicContact CE2-CB 3.58Å; F509-A585 HydrophobicContact CZ-CB 3.37Å; F509-S597 WeakPolarHBondContact CD2-OG 3.16Å; F509-C599 HydrophobicContact CB-CB 4.14Å; F509-C599 HydrophobicContact CD1-CB 4.45Å; F509-C599 HydrophobicContact CD2-CB 3.66Å; F509-C599 HydrophobicContact CE2-CB 4.12Å; F509-C599 HydrophobicContact CG-CB 3.83Å | ||
| 510 | P | 87.7 | Confident | 87.6 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 58% | 0.584 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -58.4 | -35.7 | 175.3 | -26 | 32.7 | 0 | 0 | 0 | 113.6 | Y514 T532 | P510-Y514 WeakPolarHBondContact CD-OH 3.45Å; P510-T532 WeakPolarHBondContact CD-O 2.91Å |
| 511 | E | 88.9 | Confident | 86.8 | Confident | 110 Ų | 110 | 60.5 Ų | 60.5 | 51% | 0.514 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -119.8 | 143.8 | 178.9 | -60 | -71.1 | 170.3 | 0 | 0 | 110.6 | F509 S513 Y514 | F509-E511 WeakPolarHBondContact CB-O 3.41Å; F509-E511 PolarHBondContact O-N 3.43Å; E511-S513 VanDerWaalsContact C-N 3.26Å; E511-S513 PolarHBondContact O-N 2.83Å; E511-Y514 HydrophobicContact CB-CD1 4.29Å; E511-Y514 HydrophobicContact CB-CE1 3.74Å; E511-Y514 HydrophobicContact CB-CE2 4.03Å; E511-Y514 HydrophobicContact CG-CD1 4.48Å; E511-Y514 HydrophobicContact CG-CE1 3.83Å; E511-Y514 PolarHBondContact N-OH 2.98Å |
| 512 | I | 85.8 | Confident | 86.2 | Confident | 147 Ų | 147 | 61.1 Ų | 61.1 | 75% | 0.754 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -71.1 | -25.4 | 175.2 | 57.2 | 169.1 | 0 | 0 | 0 | 112.3 | C599 T600 | I512-C599 WeakPolarHBondContact O-CA 2.98Å; I512-T600 PolarHBondContact O-N 3.25Å; I512-T600 VanDerWaalsContact O-N 3.08Å |
| 513 | S | 90.6 | Very high | 85.9 | Confident | 40 Ų | 40 | 63.6 Ų | 63.6 | 28% | 0.28 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 148.8 | 177.6 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | E511 T600 | E511-S513 VanDerWaalsContact C-N 3.26Å; E511-S513 PolarHBondContact O-N 2.83Å; S513-T600 CarbonylContact C-O 3.53Å; S513-T600 WeakPolarHBondContact CA-O 3.3Å; S513-T600 VanDerWaalsContact CB-O 3.26Å; S513-T600 WeakPolarHBondContact CB-O 2.95Å; S513-T600 WeakPolarHBondContact CB-OG1 3.37Å |
| 514 | Y | 89.9 | Confident | 85.5 | Confident | 42 Ų | 42 | 66.3 Ų | 66.3 | 17% | 0.165 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 130.7 | 177.6 | -62.9 | -88.6 | 0 | 0 | 0 | 109.9 | P510 E511 I529 L531 T600 V601 Y602 | P510-Y514 WeakPolarHBondContact CD-OH 3.45Å; E511-Y514 HydrophobicContact CB-CD1 4.29Å; E511-Y514 HydrophobicContact CB-CE1 3.74Å; E511-Y514 HydrophobicContact CB-CE2 4.03Å; E511-Y514 HydrophobicContact CG-CD1 4.48Å; E511-Y514 HydrophobicContact CG-CE1 3.83Å; E511-Y514 PolarHBondContact N-OH 2.98Å; Y514-I529 HydrophobicContact CD1-CD1 3.94Å; Y514-I529 HydrophobicContact CG-CD1 3.87Å; Y514-L531 HydrophobicContact CD2-CD2 3.56Å; Y514-L531 HydrophobicContact CE2-CD2 3.6Å; Y514-L531 HydrophobicContact CG-CD2 4.21Å; Y514-T600 PolarHBondContact N-O 3.23Å; Y514-V601 HydrophobicContact CD2-CG2 4.47Å; Y514-V601 CarbonylContact O-C 3.45Å; Y514-V601 WeakPolarHBondContact O-CA 3.32Å; Y514-Y602 PolarHBondContact O-N 3.04Å |
| 515 | D | 86.2 | Confident | 85.1 | Confident | 116 Ų | 116 | 65.3 Ų | 65.3 | 62% | 0.62 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 123 | 173.2 | -65.6 | -53.7 | 0 | 0 | 0 | 109.8 | Y602 | D515-Y602 WeakPolarHBondContact OD1-CB 3.49Å |
| 516 | V | 86.1 | Confident | 84.7 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 13% | 0.127 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.5 | -177 | -172.1 | 0 | 0 | 0 | 0 | 110 | V518 V528 I529 V601 Y602 I603 E604 | V516-V518 HydrophobicContact CG1-CG2 4.18Å; V516-V528 HydrophobicContact CB-CG1 4.36Å; V516-V528 HydrophobicContact CG1-CG1 3.73Å; V516-I529 HydrophobicContact CG2-CB 4.03Å; V516-I529 HydrophobicContact CG2-CD1 3.65Å; V516-I529 HydrophobicContact CG2-CG1 4.38Å; V516-I529 HydrophobicContact CG2-CG2 4.33Å; V516-V601 HydrophobicContact CG2-CG1 4.01Å; V516-Y602 PolarHBondContact N-O 2.88Å; V516-I603 VanDerWaalsContact O-CA 3.29Å; V516-I603 WeakPolarHBondContact O-CA 3.45Å; V516-E604 PolarHBondContact O-N 2.82Å |
| 517 | Y | 82.1 | Confident | 84.4 | Confident | 129 Ų | 129 | 67.4 Ų | 67.4 | 51% | 0.506 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126.8 | 172.6 | -56.6 | -75.2 | 0 | 0 | 0 | 109.7 | E604 L606 | Y517-E604 WeakPolarHBondContact CA-O 3.26Å; Y517-E604 HydrophobicContact CD1-CB 3.96Å; Y517-E604 HydrophobicContact CD1-CG 4.47Å; Y517-E604 HydrophobicContact CE1-CB 4.19Å; Y517-L606 HydrophobicContact CD1-CD1 3.55Å; Y517-L606 HydrophobicContact CD1-CG 3.98Å; Y517-L606 HydrophobicContact CE1-CD1 4.31Å; Y517-L606 HydrophobicContact CG-CD1 3.83Å |
| 518 | V | 82.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.006 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140.7 | -179.5 | -178.6 | 0 | 0 | 0 | 0 | 107.6 | V516 M522 V528 I567 L573 I603 E604 V605 L606 | V516-V518 HydrophobicContact CG1-CG2 4.18Å; V518-M522 HydrophobicContact CB-SD 4.12Å; V518-M522 HydrophobicContact CG1-CB 4.49Å; V518-M522 HydrophobicContact CG1-CE 4.06Å; V518-M522 HydrophobicContact CG1-CG 4.43Å; V518-M522 HydrophobicContact CG1-SD 3.36Å; V518-M522 WeakPolarHBondContact CG1-SD 3.18Å; V518-V528 HydrophobicContact CG2-CG1 3.79Å; V518-V528 HydrophobicContact CG2-CG2 4.32Å; V518-I567 HydrophobicContact CG1-CD1 4.21Å; V518-L573 HydrophobicContact CB-CD1 4.41Å; V518-L573 HydrophobicContact CG1-CD1 3.25Å; V518-I603 HydrophobicContact CB-CG2 4.01Å; V518-I603 HydrophobicContact CG2-CG2 3.44Å; V518-I603 VanDerWaalsContact CG2-CG2 3.44Å; V518-E604 PolarHBondContact N-O 2.84Å; V518-V605 CarbonylContact O-C 3.49Å; V518-V605 WeakPolarHBondContact O-CA 3.26Å; V518-L606 PolarHBondContact O-N 2.88Å |
| 519 | Y | 80.3 | Confident | 83.9 | Confident | 85 Ų | 85 | 66 Ų | 66 | 33% | 0.333 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 148.1 | -175.6 | -57.9 | -83.5 | 0 | 0 | 0 | 110.9 | D521 M522 L606 | Y519-D521 WeakPolarHBondContact CB-OD1 3.43Å; Y519-D521 PolarHBondContact O-N 2.8Å; Y519-D521 VanDerWaalsContact O-N 3.17Å; Y519-M522 PolarHBondContact N-SD 3.41Å; Y519-M522 VanDerWaalsContact N-SD 3.41Å; Y519-M522 VanDerWaalsContact O-CB 3.31Å; Y519-M522 WeakPolarHBondContact O-CB 3.41Å; Y519-M522 WeakPolarHBondContact O-CG 3.18Å; Y519-M522 PolarHBondContact O-N 2.93Å; Y519-L606 WeakPolarHBondContact CA-O 3.34Å; Y519-L606 HydrophobicContact CD1-CB 3.98Å; Y519-L606 HydrophobicContact CE1-CB 3.94Å; Y519-L606 HydrophobicContact CE1-CD1 4.49Å |
| 520 | T | 77.3 | Confident | 83.9 | Confident | 50 Ų | 50 | 70.6 Ų | 70.6 | 31% | 0.307 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -11.7 | -178 | 48.6 | 0 | 0 | 0 | 0 | 115.6 | L573 V575 V605 L606 | T520-L573 WeakPolarHBondContact CG2-O 3.34Å; T520-V575 HydrophobicContact CG2-CB 4.27Å; T520-V575 HydrophobicContact CG2-CG2 3.35Å; T520-V605 HydrophobicContact CG2-CG1 3.44Å; T520-V605 VanDerWaalsContact CG2-CG1 3.44Å; T520-L606 PolarHBondContact N-O 2.95Å |
| 521 | D | 72.8 | Confident | 84 | Confident | 108 Ų | 108 | 66.3 Ų | 66.3 | 58% | 0.578 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 2.4 | 172.7 | 60.7 | -20.1 | 0 | 0 | 0 | 113.5 | Y519 | Y519-D521 WeakPolarHBondContact CB-OD1 3.43Å; Y519-D521 PolarHBondContact O-N 2.8Å; Y519-D521 VanDerWaalsContact O-N 3.17Å |
| 522 | M | 78.4 | Confident | 84 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 22% | 0.222 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 137.6 | 173.1 | -67.1 | -178.8 | 63 | 0 | 0 | 111.6 | V518 Y519 D526 I567 | V518-M522 HydrophobicContact CB-SD 4.12Å; V518-M522 HydrophobicContact CG1-CB 4.49Å; V518-M522 HydrophobicContact CG1-CE 4.06Å; V518-M522 HydrophobicContact CG1-CG 4.43Å; V518-M522 HydrophobicContact CG1-SD 3.36Å; V518-M522 WeakPolarHBondContact CG1-SD 3.18Å; Y519-M522 PolarHBondContact N-SD 3.41Å; Y519-M522 VanDerWaalsContact N-SD 3.41Å; Y519-M522 VanDerWaalsContact O-CB 3.31Å; Y519-M522 WeakPolarHBondContact O-CB 3.41Å; Y519-M522 WeakPolarHBondContact O-CG 3.18Å; Y519-M522 PolarHBondContact O-N 2.93Å; M522-D526 WeakPolarHBondContact CA-OD2 3.16Å; M522-D526 HydrophobicContact CB-CB 4.46Å; M522-D526 HydrophobicContact CE-CB 3.78Å; M522-I567 HydrophobicContact CB-CD1 3.69Å; M522-I567 HydrophobicContact CE-CD1 4.13Å |
| 523 | S | 80.5 | Confident | 84.2 | Confident | 68 Ų | 68 | 58.2 Ų | 58.2 | 48% | 0.476 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -91 | 152 | -177.7 | -64 | 0 | 0 | 0 | 0 | 111.8 | G525 D526 | S523-G525 PolarHBondContact O-N 2.91Å; S523-D526 PolarHBondContact N-OD2 3.03Å; S523-D526 VanDerWaalsContact O-CB 3.29Å; S523-D526 WeakPolarHBondContact O-CB 3.49Å; S523-D526 VanDerWaalsContact O-CG 3.28Å; S523-D526 PolarHBondContact O-N 3.49Å |
| 524 | P | 82.2 | Confident | 84.1 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 130 | 171.5 | -24.3 | 33.2 | 0 | 0 | 0 | 111.5 | ||
| 525 | G | 80.3 | Confident | 84.2 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 51% | 0.505 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -12.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115 | S523 I567 | S523-G525 PolarHBondContact O-N 2.91Å; G525-I567 PolarHBondContact N-O 3.44Å |
| 526 | D | 81.7 | Confident | 84.4 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 35% | 0.353 | 33% | 0.326 | S | S | . | . | trans | -61.9 | 139.8 | 173.5 | -72.7 | -12.1 | 0 | 0 | 0 | 110.5 | M522 S523 V528 S566 I567 | M522-D526 WeakPolarHBondContact CA-OD2 3.16Å; M522-D526 HydrophobicContact CB-CB 4.46Å; M522-D526 HydrophobicContact CE-CB 3.78Å; S523-D526 PolarHBondContact N-OD2 3.03Å; S523-D526 VanDerWaalsContact O-CB 3.29Å; S523-D526 WeakPolarHBondContact O-CB 3.49Å; S523-D526 VanDerWaalsContact O-CG 3.28Å; S523-D526 PolarHBondContact O-N 3.49Å; D526-V528 PolarHBondContact O-N 3.21Å; D526-S566 WeakPolarHBondContact O-CA 3.16Å; D526-S566 WeakPolarHBondContact O-CB 3.38Å; D526-I567 HydrophobicContact CB-CD1 4.4Å; D526-I567 PolarHBondContact O-N 3.14Å; D526-I567 VanDerWaalsContact O-N 3.16Å | ||
| 527 | S | 83.6 | Confident | 84.7 | Confident | 77 Ų | 77 | 56 Ų | 56 | 54% | 0.538 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 126.6 | 178.3 | 53 | 0 | 0 | 0 | 0 | 110.4 | ||
| 528 | V | 86.5 | Confident | 85 | Confident | 20 Ų | 20 | 54.6 Ų | 54.6 | 12% | 0.121 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -57.9 | 175.3 | 175.5 | 0 | 0 | 0 | 0 | 109.5 | V516 V518 D526 F556 V565 I567 I603 | V516-V528 HydrophobicContact CB-CG1 4.36Å; V516-V528 HydrophobicContact CG1-CG1 3.73Å; V518-V528 HydrophobicContact CG2-CG1 3.79Å; V518-V528 HydrophobicContact CG2-CG2 4.32Å; D526-V528 PolarHBondContact O-N 3.21Å; V528-F556 HydrophobicContact CG2-CD1 3.91Å; V528-F556 HydrophobicContact CG2-CE1 3.77Å; V528-V565 HydrophobicContact CB-CG1 4.36Å; V528-V565 PolarHBondContact N-O 3.1Å; V528-I567 HydrophobicContact CG2-CG1 3.88Å; V528-I603 HydrophobicContact CG1-CD1 3.88Å; V528-I603 HydrophobicContact CG1-CG1 4.4Å |
| 529 | I | 87.7 | Confident | 85.2 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 15% | 0.154 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 146.2 | 179.9 | -173.7 | 164.4 | 0 | 0 | 0 | 108.7 | Y514 V516 L531 V565 V601 | Y514-I529 HydrophobicContact CD1-CD1 3.94Å; Y514-I529 HydrophobicContact CG-CD1 3.87Å; V516-I529 HydrophobicContact CG2-CB 4.03Å; V516-I529 HydrophobicContact CG2-CD1 3.65Å; V516-I529 HydrophobicContact CG2-CG1 4.38Å; V516-I529 HydrophobicContact CG2-CG2 4.33Å; I529-L531 HydrophobicContact CD1-CD2 4.26Å; I529-L531 HydrophobicContact CG1-CD2 4.46Å; I529-V565 HydrophobicContact CG2-CB 3.92Å; I529-V565 HydrophobicContact CG2-CG2 4.09Å; I529-V565 PolarHBondContact N-O 3.36Å; I529-V565 WeakPolarHBondContact O-CA 3.39Å; I529-V565 WeakPolarHBondContact O-CB 3.36Å; I529-V565 PolarHBondContact O-N 3.4Å; I529-V601 HydrophobicContact CG2-CG1 4.1Å |
| 530 | Q | 89.7 | Confident | 85.5 | Confident | 118 Ų | 118 | 56.3 Ų | 56.3 | 55% | 0.551 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 115 | 168 | -173.1 | 170.6 | 6.9 | 0 | 0 | 108.5 | T562 L564 | Q530-T562 PolarHBondContact NE2-O 2.83Å; Q530-L564 HydrophobicContact CB-CD1 3.89Å; Q530-L564 HydrophobicContact CG-CD1 4.34Å |
| 531 | L | 90.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | trans | -85.6 | 136.4 | 174.5 | -64.1 | 172.9 | 0 | 0 | 0 | 109.4 | F509 Y514 I529 I558 G563 V565 V583 V601 | F509-L531 HydrophobicContact CE1-CB 4.1Å; Y514-L531 HydrophobicContact CD2-CD2 3.56Å; Y514-L531 HydrophobicContact CE2-CD2 3.6Å; Y514-L531 HydrophobicContact CG-CD2 4.21Å; I529-L531 HydrophobicContact CD1-CD2 4.26Å; I529-L531 HydrophobicContact CG1-CD2 4.46Å; L531-I558 HydrophobicContact CD1-CD1 4.17Å; L531-G563 PolarHBondContact N-O 3.06Å; L531-G563 WeakPolarHBondContact O-CA 3.41Å; L531-V565 HydrophobicContact CD1-CG2 4.13Å; L531-V565 HydrophobicContact CG-CG2 4.45Å; L531-V583 HydrophobicContact CD1-CB 3.87Å; L531-V583 HydrophobicContact CD1-CG1 3.74Å; L531-V583 HydrophobicContact CD1-CG2 3.75Å; L531-V601 HydrophobicContact CD1-CG2 3.99Å; L531-V601 HydrophobicContact CD2-CG2 4.02Å; L531-V601 HydrophobicContact CG-CG2 4.49Å | ||
| 532 | T | 88.8 | Confident | 86.7 | Confident | 76 Ų | 76 | 50.8 Ų | 50.8 | 47% | 0.466 | 33% | 0.327 | S | S | . | . | trans | -130.3 | 106.6 | 176.1 | 55.4 | 0 | 0 | 0 | 0 | 108.2 | P510 | P510-T532 WeakPolarHBondContact CD-O 2.91Š| ||
| 533 | A | 90.1 | Very high | 87.3 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 8% | 0.083 | 34% | 0.34 | C | S | . | . | trans | -85.8 | 155.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | P507 T508 F509 I544 Y546 A585 | P507-A533 HydrophobicContact CB-CB 4.42Å; T508-A533 CarbonylContact O-C 3.52Å; T508-A533 WeakPolarHBondContact O-CA 3.31Å; F509-A533 HydrophobicContact CD1-CB 3.92Å; F509-A533 HydrophobicContact CE1-CB 3.88Å; F509-A533 HydrophobicContact CG-CB 4.33Å; F509-A533 HydrophobicContact CZ-CB 4.26Å; A533-I544 VanDerWaalsContact C-CD1 3.45Å; A533-I544 HydrophobicContact CB-CD1 3.92Å; A533-I544 HydrophobicContact CB-CG2 4.29Å; A533-I544 WeakPolarHBondContact O-CD1 3.48Å; A533-Y546 HydrophobicContact CB-CE1 3.95Å; A533-Y546 PolarHBondContact N-OH 2.98Å; A533-A585 HydrophobicContact CB-CB 3.65Å | ||
| 534 | V | 89.2 | Confident | 87.8 | Confident | 91 Ų | 91 | 51.8 Ų | 51.8 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | B | Isolated β-bridge | trans | -121.6 | 134.4 | 177.9 | -174 | 0 | 0 | 0 | 0 | 108.4 | T508 | T508-V534 PolarHBondContact N-O 2.83Å; T508-V534 PolarHBondContact O-N 3.5Å; T508-V534 PolarHBondContact OG1-O 2.73Å |
| 535 | D | 92.4 | Very high | 88.3 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | trans | -134.8 | 131.8 | 173 | -159.2 | -36.7 | 0 | 0 | 0 | 106.9 | N505 P507 D537 I544 | N505-D535 WeakPolarHBondContact CB-OD1 3.1Å; P507-D535 HydrophobicContact CB-CB 4.4Å; P507-D535 WeakPolarHBondContact CD-OD2 3.26Å; P507-D535 HydrophobicContact CG-CB 4.4Å; P507-D535 WeakPolarHBondContact CG-OD2 3.32Å; D535-D537 PolarHBondContact OD1-N 3.31Å; D535-I544 HydrophobicContact CB-CD1 3.92Å; D535-I544 HydrophobicContact CB-CG1 3.95Å | ||
| 536 | A | 89.9 | Confident | 88.9 | Confident | 48 Ų | 48 | 47.4 Ų | 47.4 | 40% | 0.397 | 29% | 0.285 | S | S | . | . | trans | -94.2 | -12.2 | -172 | 0 | 0 | 0 | 0 | 0 | 112.8 | R471 E472 | R471-A536 PolarHBondContact NH2-O 3.34Å; E472-A536 HydrophobicContact CG-CB 3.59Å | ||
| 537 | D | 92.6 | Very high | 89.4 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -66.6 | 162.7 | -178.7 | -63.5 | -18.7 | 0 | 0 | 0 | 112.2 | N503 D504 N505 D535 N541 G542 | N503-D537 WeakPolarHBondContact CA-OD2 3.44Å; N503-D537 PolarHBondContact OD1-OD2 2.76Å; N503-D537 VanDerWaalsContact OD1-OD2 3.04Å; D504-D537 PolarHBondContact N-OD2 2.78Å; N505-D537 VanDerWaalsContact CB-OD1 3.26Å; N505-D537 WeakPolarHBondContact CB-OD1 3.27Å; N505-D537 PolarHBondContact N-OD1 2.97Å; N505-D537 PolarHBondContact N-OD2 3.28Å; N505-D537 VanDerWaalsContact N-OD2 3.14Å; N505-D537 PolarHBondContact ND2-OD1 3.38Å; D535-D537 PolarHBondContact OD1-N 3.31Å; D537-N541 HydrophobicContact CB-CB 3.45Å; D537-N541 VanDerWaalsContact CB-CB 3.45Å; D537-G542 VanDerWaalsContact O-CA 3.24Å; D537-G542 WeakPolarHBondContact O-CA 3.39Å; D537-G542 PolarHBondContact O-N 2.91Å |
| 538 | E | 87.3 | Confident | 89.8 | Confident | 101 Ų | 101 | 47.6 Ų | 47.6 | 47% | 0.472 | 28% | 0.276 | S | S | . | . | trans | -88.6 | 145.4 | -179.1 | -163.4 | 175.8 | 175.5 | 0 | 0 | 114 | R471 D501 S540 N541 | R471-E538 IonicContact NH1-OE2 3.85Å; R471-E538 PolarHBondContact NH1-OE2 3.23Å; D501-E538 HydrophobicContact CB-CB 4.11Å; D501-E538 WeakPolarHBondContact OD1-CB 3.34Å; D501-E538 PolarHBondContact OD1-N 2.89Å; E538-S540 PolarHBondContact O-N 3.19Å; E538-N541 WeakPolarHBondContact O-CB 3.12Å; E538-N541 PolarHBondContact O-N 2.02Å; E538-N541 VanDerWaalsContact O-N 3.17Å | ||
| 539 | G | 87.3 | Confident | 89.9 | Confident | 56 Ų | 56 | 50.8 Ų | 50.8 | 58% | 0.577 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | -128 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112 | N541 G542 E543 | G539-N541 PolarHBondContact O-N 3.1Å; G539-G542 PolarHBondContact O-N 3.01Å; G539-E543 WeakPolarHBondContact O-CB 3.17Å; G539-E543 PolarHBondContact O-N 3.29Å |
| 540 | S | 87.7 | Confident | 89.9 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -19.7 | -178.8 | -62.4 | 0 | 0 | 0 | 0 | 113.6 | E538 N588 A589 | E538-S540 PolarHBondContact O-N 3.19Å; S540-N588 CarbonylContact O-C 3.56Å; S540-N588 VanDerWaalsContact O-CA 3.29Å; S540-N588 WeakPolarHBondContact O-CA 3.32Å; S540-N588 WeakPolarHBondContact O-CB 3.23Å; S540-N588 PolarHBondContact O-N 2.99Å; S540-A589 PolarHBondContact O-N 2.78Å; S540-A589 VanDerWaalsContact O-N 3.1Å |
| 541 | N | 88.3 | Confident | 89.5 | Confident | 25 Ų | 25 | 49.5 Ų | 49.5 | 13% | 0.134 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -39.4 | 175.3 | -66.7 | -11 | 0 | 0 | 0 | 110.5 | D501 N503 D537 E538 G539 D587 A589 | D501-N541 PolarHBondContact OD2-ND2 3.11Å; N503-N541 HydrophobicContact CB-CB 4.11Å; N503-N541 WeakPolarHBondContact OD1-CA 3.11Å; N503-N541 WeakPolarHBondContact OD1-CB 3.34Å; N503-N541 PolarHBondContact OD1-O 2.78Å; D537-N541 HydrophobicContact CB-CB 3.45Å; D537-N541 VanDerWaalsContact CB-CB 3.45Å; E538-N541 WeakPolarHBondContact O-CB 3.12Å; E538-N541 PolarHBondContact O-N 2.02Å; E538-N541 VanDerWaalsContact O-N 3.17Å; G539-N541 PolarHBondContact O-N 3.1Å; N541-D587 WeakPolarHBondContact O-CB 3.31Å; N541-A589 WeakPolarHBondContact OD1-CB 3.47Å |
| 542 | G | 86.3 | Confident | 88.5 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 19% | 0.186 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -6.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D537 G539 I544 | D537-G542 VanDerWaalsContact O-CA 3.24Å; D537-G542 WeakPolarHBondContact O-CA 3.39Å; D537-G542 PolarHBondContact O-N 2.91Å; G539-G542 PolarHBondContact O-N 3.01Å; G542-I544 PolarHBondContact O-N 3.42Å |
| 543 | E | 90.3 | Very high | 88 | Confident | 105 Ų | 105 | 54 Ų | 54 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | trans | -80.6 | 107.2 | -176.5 | -170.8 | -174.3 | -162.1 | 0 | 0 | 111.6 | G539 D587 N588 | G539-E543 WeakPolarHBondContact O-CB 3.17Å; G539-E543 PolarHBondContact O-N 3.29Å; E543-D587 CarbonylContact O-C 3.5Å; E543-D587 WeakPolarHBondContact O-CA 3.46Å; E543-N588 HydrophobicContact CB-CB 4.32Å; E543-N588 WeakPolarHBondContact CG-ND2 3.45Å; E543-N588 PolarHBondContact O-N 2.87Å; E543-N588 VanDerWaalsContact O-N 3.08Å; E543-N588 PolarHBondContact OE2-ND2 2.96Å | ||
| 544 | I | 91.7 | Very high | 87.5 | Confident | 29 Ų | 29 | 56.1 Ų | 56.1 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | trans | -86.9 | 138.6 | -172.7 | -52.2 | 173.8 | 0 | 0 | 0 | 112.1 | P507 A533 D535 G542 Y546 A585 | P507-I544 HydrophobicContact CB-CD1 4.14Å; P507-I544 HydrophobicContact CB-CG1 4.07Å; P507-I544 HydrophobicContact CB-CG2 4.19Å; P507-I544 HydrophobicContact CG-CG1 4.39Å; A533-I544 VanDerWaalsContact C-CD1 3.45Å; A533-I544 HydrophobicContact CB-CD1 3.92Å; A533-I544 HydrophobicContact CB-CG2 4.29Å; A533-I544 WeakPolarHBondContact O-CD1 3.48Å; D535-I544 HydrophobicContact CB-CD1 3.92Å; D535-I544 HydrophobicContact CB-CG1 3.95Å; G542-I544 PolarHBondContact O-N 3.42Å; I544-Y546 HydrophobicContact CG2-CE1 4.11Å; I544-Y546 HydrophobicContact CG2-CE2 4.02Å; I544-A585 HydrophobicContact CG2-CB 3.74Å | ||
| 545 | S | 92.9 | Very high | 87.3 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134.5 | 169.8 | 60 | 0 | 0 | 0 | 0 | 112.2 | K560 A585 S586 | S545-K560 WeakPolarHBondContact CA-O 3.26Å; S545-A585 WeakPolarHBondContact O-CA 3.5Å; S545-S586 PolarHBondContact N-O 3.32Å; S545-S586 PolarHBondContact O-N 3.31Å; S545-S586 PolarHBondContact OG-O 3.37Å; S545-S586 PolarHBondContact OG-OG 2.88Å; S545-S586 VanDerWaalsContact OG-OG 3.08Å |
| 546 | Y | 93.4 | Very high | 87.1 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.5 | -176.8 | -58.4 | -87 | 0 | 0 | 0 | 112.7 | F509 A533 I544 I558 K560 G563 Q584 A585 | F509-Y546 HydrophobicContact CE1-CD1 4.17Å; F509-Y546 AromaticContact CE1-CE1 3.79Å; F509-Y546 HydrophobicContact CE1-CE1 3.79Å; F509-Y546 HydrophobicContact CZ-CD1 4.18Å; F509-Y546 HydrophobicContact CZ-CE1 4.14Å; A533-Y546 HydrophobicContact CB-CE1 3.95Å; A533-Y546 PolarHBondContact N-OH 2.98Å; I544-Y546 HydrophobicContact CG2-CE1 4.11Å; I544-Y546 HydrophobicContact CG2-CE2 4.02Å; Y546-I558 HydrophobicContact CG-CD1 4.41Å; Y546-K560 PolarHBondContact N-O 2.8Å; Y546-K560 WeakPolarHBondContact O-CA 3.42Å; Y546-G563 VanDerWaalsContact CD2-CA 3.48Å; Y546-Q584 WeakPolarHBondContact CA-O 3.17Å; Y546-A585 HydrophobicContact CD1-CB 4.1Å; Y546-A585 HydrophobicContact CE1-CB 4.03Å |
| 547 | E | 92.5 | Very high | 87.1 | Confident | 111 Ų | 111 | 53.6 Ų | 53.6 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 137.6 | 176.7 | -176.2 | 169.4 | -178.7 | 0 | 0 | 111.5 | V583 Q584 | E547-V583 CarbonylContact O-C 3.58Å; E547-V583 WeakPolarHBondContact O-CA 3.4Å; E547-Q584 PolarHBondContact N-O 3.09Å; E547-Q584 PolarHBondContact O-N 2.81Å |
| 548 | I | 90.6 | Very high | 87.1 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 19% | 0.185 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 114.1 | 168.9 | -66.8 | 159 | 0 | 0 | 0 | 107.8 | I558 L581 V583 | I548-I558 HydrophobicContact CB-CG2 4.39Å; I548-I558 HydrophobicContact CD1-CB 3.72Å; I548-I558 HydrophobicContact CD1-CG2 3.82Å; I548-I558 HydrophobicContact CG1-CB 3.87Å; I548-I558 HydrophobicContact CG1-CG2 3.63Å; I548-L581 HydrophobicContact CD1-CD2 4.08Å; I548-L581 HydrophobicContact CG1-CD2 4.43Å; I548-V583 HydrophobicContact CG1-CG2 4.06Å |
| 549 | L | 89.6 | Confident | 87.3 | Confident | 88 Ų | 88 | 53 Ų | 53 | 46% | 0.461 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -46.6 | 177.9 | -69.9 | 178.4 | 0 | 0 | 0 | 112 | T582 Q584 I598 | L549-T582 HydrophobicContact CD1-CG2 4.49Å; L549-T582 PolarHBondContact N-O 3.45Å; L549-Q584 HydrophobicContact CD1-CB 3.88Å; L549-Q584 HydrophobicContact CD2-CB 4.46Å; L549-Q584 HydrophobicContact CG-CB 3.94Å; L549-I598 HydrophobicContact CD1-CG2 3.99Å |
| 550 | V | 87.1 | Confident | 87.4 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 58% | 0.576 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 166.1 | -177.1 | 93 | 0 | 0 | 0 | 0 | 111.6 | G552 L581 T582 | V550-G552 PolarHBondContact O-N 3.36Å; V550-L581 WeakPolarHBondContact O-CA 3.48Å; V550-T582 PolarHBondContact O-N 3.2Å |
| 551 | G | 80.6 | Confident | 87.4 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 26% | 0.258 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 94 | -18.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | K553 A580 | G551-K553 VanDerWaalsContact C-N 3.3Å; G551-K553 PolarHBondContact O-N 3.27Å; G551-A580 WeakPolarHBondContact CA-O 3.46Å |
| 552 | G | 71 | Confident | 87.3 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 6% | 0.062 | 34% | 0.335 | C | S | . | . | trans | -69.7 | -18.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | V550 G554 D555 | V550-G552 PolarHBondContact O-N 3.36Å; G552-G554 PolarHBondContact O-N 2.87Å; G552-D555 PolarHBondContact O-N 2.86Å | ||
| 553 | K | 77.3 | Confident | 87.4 | Confident | 167 Ų | 167 | 59.4 Ų | 59.4 | 73% | 0.726 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 9.9 | -174.4 | -70.7 | -178.7 | -176.7 | 165.1 | 0 | 116.3 | G551 D555 Y579 | G551-K553 VanDerWaalsContact C-N 3.3Å; G551-K553 PolarHBondContact O-N 3.27Å; K553-D555 VanDerWaalsContact C-N 3.31Å; K553-Y579 HydrophobicContact CB-CE1 4.41Å; K553-Y579 HydrophobicContact CD-CE1 4.19Å |
| 554 | G | 79 | Confident | 87.4 | Confident | 53 Ų | 53 | 57.1 Ų | 57.1 | 55% | 0.546 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | -3.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114 | G552 A568 | G552-G554 PolarHBondContact O-N 2.87Å; G554-A568 WeakPolarHBondContact O-CB 3.37Å |
| 555 | D | 85.3 | Confident | 87.4 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -18 | -177.4 | -61.6 | -37.1 | 0 | 0 | 0 | 113.3 | G552 K553 A568 V571 Y579 | G552-D555 PolarHBondContact O-N 2.86Å; K553-D555 VanDerWaalsContact C-N 3.31Å; D555-A568 WeakPolarHBondContact O-CB 3.43Å; D555-A568 PolarHBondContact O-N 3.16Å; D555-V571 HydrophobicContact CB-CG1 3.88Å; D555-V571 VanDerWaalsContact OD1-CG1 3.29Å; D555-V571 WeakPolarHBondContact OD1-CG1 3.29Å; D555-Y579 HydrophobicContact CB-CE1 4.02Å; D555-Y579 WeakPolarHBondContact OD2-CE1 3.17Å; D555-Y579 PolarHBondContact OD2-OH 2.84Å; D555-Y579 VanDerWaalsContact OD2-OH 3.06Å |
| 556 | F | 89.4 | Confident | 87.1 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 144 | 178.7 | -57.8 | -78.8 | 0 | 0 | 0 | 110.8 | V528 V565 S566 I567 L573 Y579 L581 I603 | V528-F556 HydrophobicContact CG2-CD1 3.91Å; V528-F556 HydrophobicContact CG2-CE1 3.77Å; F556-V565 HydrophobicContact CB-CG1 4.14Å; F556-V565 HydrophobicContact CD1-CG1 4.45Å; F556-S566 WeakPolarHBondContact CA-O 3.18Å; F556-I567 HydrophobicContact CD1-CG1 4.48Å; F556-I567 HydrophobicContact CE1-CG1 4.12Å; F556-L573 HydrophobicContact CZ-CD2 4.17Å; F556-Y579 HydrophobicContact CD2-CD1 4.27Å; F556-Y579 HydrophobicContact CD2-CG 4.38Å; F556-Y579 AromaticContact CE2-CD1 3.72Å; F556-Y579 HydrophobicContact CE2-CD1 3.72Å; F556-Y579 AromaticContact CE2-CD2 3.63Å; F556-Y579 HydrophobicContact CE2-CD2 3.63Å; F556-Y579 AromaticContact CE2-CE1 3.95Å; F556-Y579 HydrophobicContact CE2-CE1 3.95Å; F556-Y579 AromaticContact CE2-CE2 3.88Å; F556-Y579 HydrophobicContact CE2-CE2 3.88Å; F556-Y579 AromaticContact CE2-CG 3.56Å; F556-Y579 HydrophobicContact CE2-CG 3.56Å; F556-Y579 HydrophobicContact CZ-CD2 4.07Å; F556-Y579 HydrophobicContact CZ-CE2 4.22Å; F556-Y579 HydrophobicContact CZ-CG 4.42Å; F556-L581 HydrophobicContact CB-CD2 3.73Å; F556-L581 HydrophobicContact CD2-CD1 4.16Å; F556-L581 HydrophobicContact CD2-CD2 4.14Å; F556-L581 HydrophobicContact CG-CD2 4.09Å; F556-I603 HydrophobicContact CD1-CD1 4.07Å; F556-I603 HydrophobicContact CD2-CD1 4.14Å; F556-I603 HydrophobicContact CE1-CD1 3.75Å; F556-I603 HydrophobicContact CE2-CD1 3.83Å; F556-I603 HydrophobicContact CG-CD1 4.26Å; F556-I603 HydrophobicContact CZ-CD1 3.62Å; F556-I603 HydrophobicContact CZ-CG2 4.14Å |
| 557 | V | 89.7 | Confident | 86.8 | Confident | 67 Ų | 67 | 55.6 Ų | 55.6 | 41% | 0.406 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 146 | 174.1 | -68 | 0 | 0 | 0 | 0 | 109.5 | V565 S566 A568 | V557-V565 WeakPolarHBondContact O-CA 3.33Å; V557-S566 PolarHBondContact N-O 2.87Å; V557-S566 PolarHBondContact O-N 2.62Å; V557-A568 HydrophobicContact CG1-CB 4.09Å |
| 558 | I | 91.5 | Very high | 86.4 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 16% | 0.159 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 138.6 | 174.3 | -165.4 | 163.6 | 0 | 0 | 0 | 110.2 | L531 Y546 I548 L564 V565 V583 | L531-I558 HydrophobicContact CD1-CD1 4.17Å; Y546-I558 HydrophobicContact CG-CD1 4.41Å; I548-I558 HydrophobicContact CB-CG2 4.39Å; I548-I558 HydrophobicContact CD1-CB 3.72Å; I548-I558 HydrophobicContact CD1-CG2 3.82Å; I548-I558 HydrophobicContact CG1-CB 3.87Å; I548-I558 HydrophobicContact CG1-CG2 3.63Å; I558-L564 WeakPolarHBondContact CA-O 3.43Å; I558-V565 HydrophobicContact CB-CG2 4.31Å; I558-V565 HydrophobicContact CD1-CG2 3.8Å; I558-V565 HydrophobicContact CG1-CG2 3.96Å; I558-V583 HydrophobicContact CD1-CG1 3.56Å; I558-V583 HydrophobicContact CD1-CG2 4.39Å |
| 559 | N | 91.5 | Very high | 86 | Confident | 70 Ų | 70 | 54.3 Ų | 54.3 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | trans | -77.5 | 122.1 | 169.6 | -175.1 | -59.1 | 0 | 0 | 0 | 110.1 | T561 T562 G563 L564 | N559-T561 PolarHBondContact O-N 2.82Å; N559-T561 VanDerWaalsContact O-N 3.17Å; N559-T561 PolarHBondContact OD1-N 2.98Å; N559-T561 PolarHBondContact OD1-OG1 2.89Å; N559-T562 VanDerWaalsContact CB-OG1 3.22Å; N559-T562 WeakPolarHBondContact CB-OG1 3.26Å; N559-T562 PolarHBondContact O-N 2.91Å; N559-T562 PolarHBondContact OD1-N 2.82Å; N559-T562 PolarHBondContact OD1-OG1 2.92Å; N559-G563 PolarHBondContact O-N 3.11Å; N559-L564 HydrophobicContact CB-CB 4.41Å; N559-L564 PolarHBondContact N-O 2.89Å | ||
| 560 | K | 89.8 | Confident | 85.5 | Confident | 130 Ų | 130 | 53.8 Ų | 53.8 | 57% | 0.565 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -29.4 | -176 | -172.7 | 170.6 | -178.3 | 174.6 | 0 | 114.2 | S545 Y546 | S545-K560 WeakPolarHBondContact CA-O 3.26Å; Y546-K560 PolarHBondContact N-O 2.8Å; Y546-K560 WeakPolarHBondContact O-CA 3.42Å |
| 561 | T | 87.2 | Confident | 85.2 | Confident | 108 Ų | 108 | 50.5 Ų | 50.5 | 66% | 0.663 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -34.4 | -177.3 | 38.2 | 0 | 0 | 0 | 0 | 113.9 | N559 | N559-T561 PolarHBondContact O-N 2.82Å; N559-T561 VanDerWaalsContact O-N 3.17Å; N559-T561 PolarHBondContact OD1-N 2.98Å; N559-T561 PolarHBondContact OD1-OG1 2.89Å |
| 562 | T | 87.1 | Confident | 84.9 | Confident | 60 Ų | 60 | 58 Ų | 58 | 37% | 0.368 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -9.9 | -173.9 | 67 | 0 | 0 | 0 | 0 | 114.3 | Q530 N559 L564 | Q530-T562 PolarHBondContact NE2-O 2.83Å; N559-T562 VanDerWaalsContact CB-OG1 3.22Å; N559-T562 WeakPolarHBondContact CB-OG1 3.26Å; N559-T562 PolarHBondContact O-N 2.91Å; N559-T562 PolarHBondContact OD1-N 2.82Å; N559-T562 PolarHBondContact OD1-OG1 2.92Å; T562-L564 PolarHBondContact O-N 3.23Å; T562-L564 VanDerWaalsContact O-N 3.16Å; T562-L564 WeakPolarHBondContact OG1-CB 3.12Å; T562-L564 PolarHBondContact OG1-N 3.48Å |
| 563 | G | 88.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | 66.8 | 9.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L531 Y546 N559 V565 | L531-G563 PolarHBondContact N-O 3.06Å; L531-G563 WeakPolarHBondContact O-CA 3.41Å; Y546-G563 VanDerWaalsContact CD2-CA 3.48Å; N559-G563 PolarHBondContact O-N 3.11Å; G563-V565 PolarHBondContact O-N 3.31Å | ||
| 564 | L | 91.1 | Very high | 85.3 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 29% | 0.293 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 117.4 | 180 | -175.3 | 68.2 | 0 | 0 | 0 | 110.5 | Q530 I558 N559 T562 | Q530-L564 HydrophobicContact CB-CD1 3.89Å; Q530-L564 HydrophobicContact CG-CD1 4.34Å; I558-L564 WeakPolarHBondContact CA-O 3.43Å; N559-L564 HydrophobicContact CB-CB 4.41Å; N559-L564 PolarHBondContact N-O 2.89Å; T562-L564 PolarHBondContact O-N 3.23Å; T562-L564 VanDerWaalsContact O-N 3.16Å; T562-L564 WeakPolarHBondContact OG1-CB 3.12Å; T562-L564 PolarHBondContact OG1-N 3.48Å |
| 565 | V | 89.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 124.5 | 170.2 | -177 | 0 | 0 | 0 | 0 | 108.7 | V528 I529 L531 F556 V557 I558 G563 L581 | V528-V565 HydrophobicContact CB-CG1 4.36Å; V528-V565 PolarHBondContact N-O 3.1Å; I529-V565 HydrophobicContact CG2-CB 3.92Å; I529-V565 HydrophobicContact CG2-CG2 4.09Å; I529-V565 PolarHBondContact N-O 3.36Å; I529-V565 WeakPolarHBondContact O-CA 3.39Å; I529-V565 WeakPolarHBondContact O-CB 3.36Å; I529-V565 PolarHBondContact O-N 3.4Å; L531-V565 HydrophobicContact CD1-CG2 4.13Å; L531-V565 HydrophobicContact CG-CG2 4.45Å; F556-V565 HydrophobicContact CB-CG1 4.14Å; F556-V565 HydrophobicContact CD1-CG1 4.45Å; V557-V565 WeakPolarHBondContact O-CA 3.33Å; I558-V565 HydrophobicContact CB-CG2 4.31Å; I558-V565 HydrophobicContact CD1-CG2 3.8Å; I558-V565 HydrophobicContact CG1-CG2 3.96Å; G563-V565 PolarHBondContact O-N 3.31Å; V565-L581 HydrophobicContact CG1-CD2 4.36Å |
| 566 | S | 87.9 | Confident | 84.8 | Confident | 22 Ų | 22 | 58 Ų | 58 | 15% | 0.154 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 160.3 | 177 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | D526 F556 V557 A568 | D526-S566 WeakPolarHBondContact O-CA 3.16Å; D526-S566 WeakPolarHBondContact O-CB 3.38Å; F556-S566 WeakPolarHBondContact CA-O 3.18Å; V557-S566 PolarHBondContact N-O 2.87Å; V557-S566 PolarHBondContact O-N 2.62Å; S566-A568 PolarHBondContact O-N 2.66Å |
| 567 | I | 86.6 | Confident | 84.5 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 129 | 175.5 | -59.2 | 168.1 | 0 | 0 | 0 | 108.6 | V518 M522 G525 D526 V528 F556 V571 L573 | V518-I567 HydrophobicContact CG1-CD1 4.21Å; M522-I567 HydrophobicContact CB-CD1 3.69Å; M522-I567 HydrophobicContact CE-CD1 4.13Å; G525-I567 PolarHBondContact N-O 3.44Å; D526-I567 HydrophobicContact CB-CD1 4.4Å; D526-I567 PolarHBondContact O-N 3.14Å; D526-I567 VanDerWaalsContact O-N 3.16Å; V528-I567 HydrophobicContact CG2-CG1 3.88Å; F556-I567 HydrophobicContact CD1-CG1 4.48Å; F556-I567 HydrophobicContact CE1-CG1 4.12Å; I567-V571 HydrophobicContact CG2-CB 4.3Å; I567-L573 HydrophobicContact CD1-CD1 3.67Å; I567-L573 HydrophobicContact CG1-CD1 4.37Å |
| 568 | A | 85.2 | Confident | 84.3 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 5% | 0.05 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 145 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G554 D555 V557 S566 G570 V571 | G554-A568 WeakPolarHBondContact O-CB 3.37Å; D555-A568 WeakPolarHBondContact O-CB 3.43Å; D555-A568 PolarHBondContact O-N 3.16Å; V557-A568 HydrophobicContact CG1-CB 4.09Å; S566-A568 PolarHBondContact O-N 2.66Å; A568-G570 PolarHBondContact O-N 3.38Å; A568-V571 HydrophobicContact CB-CG2 4Å; A568-V571 PolarHBondContact O-N 2.86Å |
| 569 | P | 80.7 | Confident | 84 | Confident | 113 Ų | 113 | 61.4 Ų | 61.4 | 73% | 0.734 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 129.2 | 176.7 | -25.1 | 34.2 | 0 | 0 | 0 | 112.8 | ||
| 570 | G | 78.9 | Confident | 83.9 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 80% | 0.804 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | 12.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A568 | A568-G570 PolarHBondContact O-N 3.38Š|
| 571 | V | 80.4 | Confident | 84 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 16% | 0.158 | 34% | 0.339 | C | S | . | . | trans | -102.7 | 135 | -177.7 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | D555 I567 A568 | D555-V571 HydrophobicContact CB-CG1 3.88Å; D555-V571 VanDerWaalsContact OD1-CG1 3.29Å; D555-V571 WeakPolarHBondContact OD1-CG1 3.29Å; I567-V571 HydrophobicContact CG2-CB 4.3Å; A568-V571 HydrophobicContact CB-CG2 4Å; A568-V571 PolarHBondContact O-N 2.86Å | ||
| 572 | E | 74.7 | Confident | 84.2 | Confident | 181 Ų | 181 | 50.4 Ų | 50.4 | 85% | 0.846 | 32% | 0.317 | S | S | * | . | trans | -108.3 | 125.7 | 170.3 | -83.7 | -176.5 | 162.5 | 0 | 0 | 109.6 | ||||
| 573 | L | 77.8 | Confident | 84.4 | Confident | 19 Ų | 19 | 47.6 Ų | 47.6 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | trans | -82.2 | 136.8 | 179.9 | -62.1 | 172.8 | 0 | 0 | 0 | 111.1 | V518 T520 F556 I567 V605 | V518-L573 HydrophobicContact CB-CD1 4.41Å; V518-L573 HydrophobicContact CG1-CD1 3.25Å; T520-L573 WeakPolarHBondContact CG2-O 3.34Å; F556-L573 HydrophobicContact CZ-CD2 4.17Å; I567-L573 HydrophobicContact CD1-CD1 3.67Å; I567-L573 HydrophobicContact CG1-CD1 4.37Å; L573-V605 HydrophobicContact CB-CG1 4.04Å; L573-V605 HydrophobicContact CB-CG2 4.43Å | ||
| 574 | I | 79.1 | Confident | 84.6 | Confident | 103 Ų | 103 | 49 Ų | 49 | 53% | 0.528 | 31% | 0.306 | S | S | . | . | trans | -105.7 | 127.5 | -179.6 | -55.9 | 177.7 | 0 | 0 | 0 | 109.3 | G576 Q577 V605 | I574-G576 PolarHBondContact O-N 3.23Å; I574-Q577 HydrophobicContact CB-CG 4.11Å; I574-Q577 WeakPolarHBondContact O-CB 3.48Å; I574-Q577 PolarHBondContact O-N 3.39Å; I574-Q577 VanDerWaalsContact O-N 3.14Å; I574-V605 WeakPolarHBondContact O-CB 3.31Å | ||
| 575 | V | 75.4 | Confident | 84.7 | Confident | 82 Ų | 82 | 46.4 Ų | 46.4 | 50% | 0.497 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 130.7 | 176.2 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | T520 | T520-V575 HydrophobicContact CG2-CB 4.27Å; T520-V575 HydrophobicContact CG2-CG2 3.35Å |
| 576 | G | 78.1 | Confident | 84.8 | Confident | 56 Ų | 56 | 47.1 Ų | 47.1 | 58% | 0.577 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 1.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | I574 V605 | I574-G576 PolarHBondContact O-N 3.23Å; G576-V605 PolarHBondContact N-O 3.44Å |
| 577 | Q | 83.3 | Confident | 85.1 | Confident | 67 Ų | 67 | 46 Ų | 46 | 31% | 0.313 | 29% | 0.29 | S | S | . | . | trans | -72.9 | 146.1 | 165 | -79.8 | -173.4 | -14 | 0 | 0 | 111.1 | I574 Y579 V605 | I574-Q577 HydrophobicContact CB-CG 4.11Å; I574-Q577 WeakPolarHBondContact O-CB 3.48Å; I574-Q577 PolarHBondContact O-N 3.39Å; I574-Q577 VanDerWaalsContact O-N 3.14Å; Q577-Y579 HydrophobicContact CB-CE2 4.17Å; Q577-Y579 PolarHBondContact OE1-OH 2.93Å; Q577-V605 PolarHBondContact O-N 3.25Å | ||
| 578 | T | 85.3 | Confident | 85.3 | Confident | 98 Ų | 98 | 48.2 Ų | 48.2 | 60% | 0.601 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 144.1 | 173.5 | 57.4 | 0 | 0 | 0 | 0 | 111.4 | I603 E604 | T578-I603 CarbonylContact C-O 3.53Å; T578-I603 WeakPolarHBondContact CA-O 3.48Å; T578-E604 HydrophobicContact CG2-CB 4.34Å; T578-E604 HydrophobicContact CG2-CG 4.26Å |
| 579 | Y | 86.9 | Confident | 85.5 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 150.2 | 175.7 | -57.7 | -98.6 | 0 | 0 | 0 | 110.1 | K553 D555 F556 Q577 Y602 I603 V605 | K553-Y579 HydrophobicContact CB-CE1 4.41Å; K553-Y579 HydrophobicContact CD-CE1 4.19Å; D555-Y579 HydrophobicContact CB-CE1 4.02Å; D555-Y579 WeakPolarHBondContact OD2-CE1 3.17Å; D555-Y579 PolarHBondContact OD2-OH 2.84Å; D555-Y579 VanDerWaalsContact OD2-OH 3.06Å; F556-Y579 HydrophobicContact CD2-CD1 4.27Å; F556-Y579 HydrophobicContact CD2-CG 4.38Å; F556-Y579 AromaticContact CE2-CD1 3.72Å; F556-Y579 HydrophobicContact CE2-CD1 3.72Å; F556-Y579 AromaticContact CE2-CD2 3.63Å; F556-Y579 HydrophobicContact CE2-CD2 3.63Å; F556-Y579 AromaticContact CE2-CE1 3.95Å; F556-Y579 HydrophobicContact CE2-CE1 3.95Å; F556-Y579 AromaticContact CE2-CE2 3.88Å; F556-Y579 HydrophobicContact CE2-CE2 3.88Å; F556-Y579 AromaticContact CE2-CG 3.56Å; F556-Y579 HydrophobicContact CE2-CG 3.56Å; F556-Y579 HydrophobicContact CZ-CD2 4.07Å; F556-Y579 HydrophobicContact CZ-CE2 4.22Å; F556-Y579 HydrophobicContact CZ-CG 4.42Å; Q577-Y579 HydrophobicContact CB-CE2 4.17Å; Q577-Y579 PolarHBondContact OE1-OH 2.93Å; Y579-Y602 CarbonylContact O-C 3.59Å; Y579-Y602 WeakPolarHBondContact O-CA 3.37Å; Y579-I603 HydrophobicContact CD2-CB 4.4Å; Y579-I603 PolarHBondContact N-O 3.17Å; Y579-I603 PolarHBondContact O-N 3.03Å; Y579-V605 HydrophobicContact CE2-CG2 4.46Å |
| 580 | A | 89.5 | Confident | 85.9 | Confident | 46 Ų | 46 | 46 Ų | 46 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 91.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | G551 V601 Y602 | G551-A580 WeakPolarHBondContact CA-O 3.46Å; A580-V601 CarbonylContact C-O 3.57Å; A580-V601 WeakPolarHBondContact CA-O 3.46Å; A580-Y602 HydrophobicContact CB-CD1 3.88Å; A580-Y602 HydrophobicContact CB-CE1 3.83Å |
| 581 | L | 90.5 | Very high | 86.2 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.1 | -176.6 | -66.3 | 80.9 | 0 | 0 | 0 | 109.3 | I548 V550 F556 V565 V583 T600 V601 I603 | I548-L581 HydrophobicContact CD1-CD2 4.08Å; I548-L581 HydrophobicContact CG1-CD2 4.43Å; V550-L581 WeakPolarHBondContact O-CA 3.48Å; F556-L581 HydrophobicContact CB-CD2 3.73Å; F556-L581 HydrophobicContact CD2-CD1 4.16Å; F556-L581 HydrophobicContact CD2-CD2 4.14Å; F556-L581 HydrophobicContact CG-CD2 4.09Å; V565-L581 HydrophobicContact CG1-CD2 4.36Å; L581-V583 HydrophobicContact CB-CG2 4.43Å; L581-T600 CarbonylContact O-C 3.54Å; L581-T600 VanDerWaalsContact O-CA 3.24Å; L581-T600 WeakPolarHBondContact O-CA 3.45Å; L581-V601 HydrophobicContact CB-CB 4.31Å; L581-V601 PolarHBondContact N-O 2.8Å; L581-V601 PolarHBondContact O-N 2.88Å; L581-I603 HydrophobicContact CD1-CD1 3.4Å; L581-I603 VanDerWaalsContact CD1-CD1 3.4Å; L581-I603 HydrophobicContact CD1-CG1 3.93Å |
| 582 | T | 90.9 | Very high | 86.5 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 19% | 0.19 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 113 | 169 | -50.1 | 0 | 0 | 0 | 0 | 108.5 | L549 V550 I598 C599 T600 | L549-T582 HydrophobicContact CD1-CG2 4.49Å; L549-T582 PolarHBondContact N-O 3.45Å; V550-T582 PolarHBondContact O-N 3.2Å; T582-I598 HydrophobicContact CG2-CB 4.32Å; T582-I598 HydrophobicContact CG2-CD1 4.42Å; T582-C599 WeakPolarHBondContact CA-O 3.06Å; T582-T600 HydrophobicContact CG2-CG2 4.5Å |
| 583 | V | 91.7 | Very high | 87 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 135.3 | -179.6 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | F509 L531 E547 I548 I558 L581 I598 C599 | F509-V583 HydrophobicContact CZ-CG1 4.33Å; L531-V583 HydrophobicContact CD1-CB 3.87Å; L531-V583 HydrophobicContact CD1-CG1 3.74Å; L531-V583 HydrophobicContact CD1-CG2 3.75Å; E547-V583 CarbonylContact O-C 3.58Å; E547-V583 WeakPolarHBondContact O-CA 3.4Å; I548-V583 HydrophobicContact CG1-CG2 4.06Å; I558-V583 HydrophobicContact CD1-CG1 3.56Å; I558-V583 HydrophobicContact CD1-CG2 4.39Å; L581-V583 HydrophobicContact CB-CG2 4.43Å; V583-I598 CarbonylContact O-C 3.59Å; V583-I598 WeakPolarHBondContact O-CA 3.14Å; V583-C599 PolarHBondContact N-O 2.83Å; V583-C599 PolarHBondContact O-N 2.98Å |
| 584 | Q | 93 | Very high | 87.5 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135.5 | 173.8 | -174.2 | 178.5 | 17.4 | 0 | 0 | 110 | Y546 E547 L549 H596 S597 I598 | Y546-Q584 WeakPolarHBondContact CA-O 3.17Å; E547-Q584 PolarHBondContact N-O 3.09Å; E547-Q584 PolarHBondContact O-N 2.81Å; L549-Q584 HydrophobicContact CD1-CB 3.88Å; L549-Q584 HydrophobicContact CD2-CB 4.46Å; L549-Q584 HydrophobicContact CG-CB 3.94Å; Q584-H596 HydrophobicContact CG-CB 4.07Å; Q584-H596 PolarHBondContact NE2-CD2 3.09Å; Q584-S597 WeakPolarHBondContact CA-O 3.36Å; Q584-I598 HydrophobicContact CB-CG2 3.98Å; Q584-I598 HydrophobicContact CG-CG2 4.09Å |
| 585 | A | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108 | P507 F509 A533 I544 S545 Y546 H596 S597 | P507-A585 HydrophobicContact CB-CB 4.01Å; F509-A585 HydrophobicContact CE1-CB 4.19Å; F509-A585 HydrophobicContact CE2-CB 3.58Å; F509-A585 HydrophobicContact CZ-CB 3.37Å; A533-A585 HydrophobicContact CB-CB 3.65Å; I544-A585 HydrophobicContact CG2-CB 3.74Å; S545-A585 WeakPolarHBondContact O-CA 3.5Å; Y546-A585 HydrophobicContact CD1-CB 4.1Å; Y546-A585 HydrophobicContact CE1-CB 4.03Å; A585-H596 CarbonylContact O-C 3.6Å; A585-H596 WeakPolarHBondContact O-CA 3.23Å; A585-H596 VanDerWaalsContact O-CB 3.29Å; A585-H596 WeakPolarHBondContact O-CB 3.33Å; A585-S597 PolarHBondContact N-O 2.94Å; A585-S597 PolarHBondContact O-N 3.4Å |
| 586 | S | 92.8 | Very high | 89 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140 | 176.2 | 58.8 | 0 | 0 | 0 | 0 | 111 | S545 R595 | S545-S586 PolarHBondContact N-O 3.32Å; S545-S586 PolarHBondContact O-N 3.31Å; S545-S586 PolarHBondContact OG-O 3.37Å; S545-S586 PolarHBondContact OG-OG 2.88Å; S545-S586 VanDerWaalsContact OG-OG 3.08Å; S586-R595 WeakPolarHBondContact CA-O 3.42Å |
| 587 | D | 94 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -67.3 | 170.9 | 171.3 | 66.6 | 47.6 | 0 | 0 | 0 | 111.2 | N503 P507 N541 E543 A589 R594 R595 | N503-D587 PolarHBondContact ND2-OD2 2.85Å; P507-D587 HydrophobicContact CG-CB 3.96Å; N541-D587 WeakPolarHBondContact O-CB 3.31Å; E543-D587 CarbonylContact O-C 3.5Å; E543-D587 WeakPolarHBondContact O-CA 3.46Å; D587-A589 WeakPolarHBondContact OD1-CB 3.48Å; D587-A589 PolarHBondContact OD1-N 3.2Å; D587-R594 WeakPolarHBondContact O-CD 3.37Å; D587-R594 PolarHBondContact O-NE 2.84Å; D587-R594 VanDerWaalsContact O-NE 3.14Å; D587-R594 VanDerWaalsContact OD1-CA 3.29Å; D587-R594 WeakPolarHBondContact OD1-CA 3.48Å; D587-R594 WeakPolarHBondContact OD1-CG 3.42Å; D587-R595 PolarHBondContact N-O 2.87Å; D587-R595 VanDerWaalsContact N-O 3.11Å; D587-R595 PolarHBondContact OD1-N 2.87Å; D587-R595 WeakPolarHBondContact OD2-CA 3.44Å; D587-R595 VanDerWaalsContact OD2-CB 3.28Å; D587-R595 WeakPolarHBondContact OD2-CB 3.44Å; D587-R595 PolarHBondContact OD2-N 3.12Å | ||
| 588 | N | 90.6 | Very high | 90.2 | Very high | 47 Ų | 47 | 53.5 Ų | 53.5 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | trans | -101.4 | 16.1 | 177.4 | -76.2 | -25.4 | 0 | 0 | 0 | 112.8 | S540 E543 | S540-N588 CarbonylContact O-C 3.56Å; S540-N588 VanDerWaalsContact O-CA 3.29Å; S540-N588 WeakPolarHBondContact O-CA 3.32Å; S540-N588 WeakPolarHBondContact O-CB 3.23Å; S540-N588 PolarHBondContact O-N 2.99Å; E543-N588 HydrophobicContact CB-CB 4.32Å; E543-N588 WeakPolarHBondContact CG-ND2 3.45Å; E543-N588 PolarHBondContact O-N 2.87Å; E543-N588 VanDerWaalsContact O-N 3.08Å; E543-N588 PolarHBondContact OE2-ND2 2.96Å | ||
| 589 | A | 89.2 | Confident | 90.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -58.3 | 162 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N503 S540 N541 D587 E593 R594 | N503-A589 HydrophobicContact CB-CB 4.39Å; S540-A589 PolarHBondContact O-N 2.78Å; S540-A589 VanDerWaalsContact O-N 3.1Å; N541-A589 WeakPolarHBondContact OD1-CB 3.47Å; D587-A589 WeakPolarHBondContact OD1-CB 3.48Å; D587-A589 PolarHBondContact OD1-N 3.2Å; A589-E593 HydrophobicContact CB-CB 4.49Å; A589-R594 PolarHBondContact O-NE 3.17Å; A589-R594 PolarHBondContact O-NH2 3.3Å |
| 590 | P | 88 | Confident | 90.7 | Very high | 74 Ų | 74 | 50.1 Ų | 50.1 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | trans | -50.7 | 145.9 | 175.1 | -26.3 | 35.1 | 0 | 0 | 0 | 111.1 | A592 E593 R594 | P590-A592 PolarHBondContact O-N 2.83Å; P590-E593 PolarHBondContact O-N 2.82Å; P590-R594 PolarHBondContact O-N 3.26Å | ||
| 591 | P | 86.4 | Confident | 90.7 | Very high | 120 Ų | 120 | 47.9 Ų | 47.9 | 78% | 0.779 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -21.1 | -171 | -27.2 | 33.8 | 0 | 0 | 0 | 115.9 | ||
| 592 | A | 85.5 | Confident | 90.6 | Very high | 103 Ų | 103 | 53 Ų | 53 | 85% | 0.851 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -25.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P590 | P590-A592 PolarHBondContact O-N 2.83Š|
| 593 | E | 85.1 | Confident | 90.5 | Very high | 115 Ų | 115 | 51.6 Ų | 51.6 | 54% | 0.537 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -8.6 | -175 | -67.7 | 177.9 | -170 | 0 | 0 | 112.7 | N503 A589 P590 R595 | N503-E593 PolarHBondContact ND2-O 3.23Å; A589-E593 HydrophobicContact CB-CB 4.49Å; P590-E593 PolarHBondContact O-N 2.82Å; E593-R595 PolarHBondContact O-N 2.72Å |
| 594 | R | 90 | Very high | 90.1 | Very high | 107 Ų | 107 | 55.4 Ų | 55.4 | 40% | 0.404 | 29% | 0.292 | S | S | . | . | trans | -57.6 | 127.2 | -178 | 179.8 | 167.2 | -58.7 | 176.1 | 0.9 | 113.7 | D587 A589 P590 | D587-R594 WeakPolarHBondContact O-CD 3.37Å; D587-R594 PolarHBondContact O-NE 2.84Å; D587-R594 VanDerWaalsContact O-NE 3.14Å; D587-R594 VanDerWaalsContact OD1-CA 3.29Å; D587-R594 WeakPolarHBondContact OD1-CA 3.48Å; D587-R594 WeakPolarHBondContact OD1-CG 3.42Å; A589-R594 PolarHBondContact O-NE 3.17Å; A589-R594 PolarHBondContact O-NH2 3.3Å; P590-R594 PolarHBondContact O-N 3.26Å | ||
| 595 | R | 91.7 | Very high | 89.6 | Confident | 92 Ų | 92 | 54 Ų | 54 | 35% | 0.347 | 29% | 0.285 | S | S | . | . | trans | -112 | 157.8 | 176.9 | -61.5 | 170.7 | 173.5 | -143.7 | 10.6 | 110.8 | N503 D504 N505 T506 S586 D587 E593 | N503-R595 PolarHBondContact O-NE 3.25Å; N503-R595 PolarHBondContact O-NH2 2.67Å; D504-R595 VanDerWaalsContact C-NH1 3.27Å; D504-R595 PolarHBondContact O-NH1 2.81Å; N505-R595 WeakPolarHBondContact O-CD 3.4Å; N505-R595 PolarHBondContact O-NH1 2.84Å; T506-R595 HydrophobicContact CG2-CB 3.99Å; T506-R595 WeakPolarHBondContact OG1-CD 3.25Å; S586-R595 WeakPolarHBondContact CA-O 3.42Å; D587-R595 PolarHBondContact N-O 2.87Å; D587-R595 VanDerWaalsContact N-O 3.11Å; D587-R595 PolarHBondContact OD1-N 2.87Å; D587-R595 WeakPolarHBondContact OD2-CA 3.44Å; D587-R595 VanDerWaalsContact OD2-CB 3.28Å; D587-R595 WeakPolarHBondContact OD2-CB 3.44Å; D587-R595 PolarHBondContact OD2-N 3.12Å; E593-R595 PolarHBondContact O-N 2.72Å | ||
| 596 | H | 93 | Very high | 88.7 | Confident | 105 Ų | 105 | 56.3 Ų | 56.3 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 152.7 | -177.3 | 59.4 | -88.3 | 0 | 0 | 0 | 112.7 | Q584 A585 | Q584-H596 HydrophobicContact CG-CB 4.07Å; Q584-H596 PolarHBondContact NE2-CD2 3.09Å; A585-H596 CarbonylContact O-C 3.6Å; A585-H596 WeakPolarHBondContact O-CA 3.23Å; A585-H596 VanDerWaalsContact O-CB 3.29Å; A585-H596 WeakPolarHBondContact O-CB 3.33Å |
| 597 | S | 93.7 | Very high | 87.7 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 17% | 0.168 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 166 | 167 | 74.5 | 0 | 0 | 0 | 0 | 111.5 | P507 F509 Q584 A585 | P507-S597 WeakPolarHBondContact O-CB 3.38Å; P507-S597 PolarHBondContact O-OG 3.44Å; F509-S597 WeakPolarHBondContact CD2-OG 3.16Å; Q584-S597 WeakPolarHBondContact CA-O 3.36Å; A585-S597 PolarHBondContact N-O 2.94Å; A585-S597 PolarHBondContact O-N 3.4Å |
| 598 | I | 92.8 | Very high | 86 | Confident | 102 Ų | 102 | 63.7 Ų | 63.7 | 52% | 0.523 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.6 | 177.8 | 57.9 | 172.3 | 0 | 0 | 0 | 110.7 | L549 T582 V583 Q584 | L549-I598 HydrophobicContact CD1-CG2 3.99Å; T582-I598 HydrophobicContact CG2-CB 4.32Å; T582-I598 HydrophobicContact CG2-CD1 4.42Å; V583-I598 CarbonylContact O-C 3.59Å; V583-I598 WeakPolarHBondContact O-CA 3.14Å; Q584-I598 HydrophobicContact CB-CG2 3.98Å; Q584-I598 HydrophobicContact CG-CG2 4.09Å |
| 599 | C | 92.2 | Very high | 84.1 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.014 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 164 | 169.6 | 70.1 | 0 | 0 | 0 | 0 | 110.7 | F509 I512 T582 V583 | F509-C599 HydrophobicContact CB-CB 4.14Å; F509-C599 HydrophobicContact CD1-CB 4.45Å; F509-C599 HydrophobicContact CD2-CB 3.66Å; F509-C599 HydrophobicContact CE2-CB 4.12Å; F509-C599 HydrophobicContact CG-CB 3.83Å; I512-C599 WeakPolarHBondContact O-CA 2.98Å; T582-C599 WeakPolarHBondContact CA-O 3.06Å; V583-C599 PolarHBondContact N-O 2.83Å; V583-C599 PolarHBondContact O-N 2.98Å |
| 600 | T | 91 | Very high | 81.9 | Confident | 37 Ų | 37 | 73.4 Ų | 73.4 | 23% | 0.227 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.7 | 178.7 | 47.9 | 0 | 0 | 0 | 0 | 112.5 | I512 S513 Y514 L581 T582 | I512-T600 PolarHBondContact O-N 3.25Å; I512-T600 VanDerWaalsContact O-N 3.08Å; S513-T600 CarbonylContact C-O 3.53Å; S513-T600 WeakPolarHBondContact CA-O 3.3Å; S513-T600 VanDerWaalsContact CB-O 3.26Å; S513-T600 WeakPolarHBondContact CB-O 2.95Å; S513-T600 WeakPolarHBondContact CB-OG1 3.37Å; Y514-T600 PolarHBondContact N-O 3.23Å; L581-T600 CarbonylContact O-C 3.54Å; L581-T600 VanDerWaalsContact O-CA 3.24Å; L581-T600 WeakPolarHBondContact O-CA 3.45Å; T582-T600 HydrophobicContact CG2-CG2 4.5Å |
| 601 | V | 90.2 | Very high | 80.3 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 113.7 | 176.1 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | Y514 V516 I529 L531 A580 L581 I603 | Y514-V601 HydrophobicContact CD2-CG2 4.47Å; Y514-V601 CarbonylContact O-C 3.45Å; Y514-V601 WeakPolarHBondContact O-CA 3.32Å; V516-V601 HydrophobicContact CG2-CG1 4.01Å; I529-V601 HydrophobicContact CG2-CG1 4.1Å; L531-V601 HydrophobicContact CD1-CG2 3.99Å; L531-V601 HydrophobicContact CD2-CG2 4.02Å; L531-V601 HydrophobicContact CG-CG2 4.49Å; A580-V601 CarbonylContact C-O 3.57Å; A580-V601 WeakPolarHBondContact CA-O 3.46Å; L581-V601 HydrophobicContact CB-CB 4.31Å; L581-V601 PolarHBondContact N-O 2.8Å; L581-V601 PolarHBondContact O-N 2.88Å; V601-I603 HydrophobicContact CG1-CD1 4.44Å; V601-I603 HydrophobicContact CG1-CG1 3.95Å |
| 602 | Y | 88.5 | Confident | 78.9 | Confident | 107 Ų | 107 | 75.6 Ų | 75.6 | 42% | 0.42 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 123.3 | 172.1 | -63.3 | -73.4 | 0 | 0 | 0 | 109.4 | Y514 D515 V516 Y579 A580 | Y514-Y602 PolarHBondContact O-N 3.04Å; D515-Y602 WeakPolarHBondContact OD1-CB 3.49Å; V516-Y602 PolarHBondContact N-O 2.88Å; Y579-Y602 CarbonylContact O-C 3.59Å; Y579-Y602 WeakPolarHBondContact O-CA 3.37Å; A580-Y602 HydrophobicContact CB-CD1 3.88Å; A580-Y602 HydrophobicContact CB-CE1 3.83Å |
| 603 | I | 87 | Confident | 78.3 | Confident | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.1 | 179.3 | -55.7 | 177.1 | 0 | 0 | 0 | 109 | V516 V518 V528 F556 T578 Y579 L581 V601 | V516-I603 VanDerWaalsContact O-CA 3.29Å; V516-I603 WeakPolarHBondContact O-CA 3.45Å; V518-I603 HydrophobicContact CB-CG2 4.01Å; V518-I603 HydrophobicContact CG2-CG2 3.44Å; V518-I603 VanDerWaalsContact CG2-CG2 3.44Å; V528-I603 HydrophobicContact CG1-CD1 3.88Å; V528-I603 HydrophobicContact CG1-CG1 4.4Å; F556-I603 HydrophobicContact CD1-CD1 4.07Å; F556-I603 HydrophobicContact CD2-CD1 4.14Å; F556-I603 HydrophobicContact CE1-CD1 3.75Å; F556-I603 HydrophobicContact CE2-CD1 3.83Å; F556-I603 HydrophobicContact CG-CD1 4.26Å; F556-I603 HydrophobicContact CZ-CD1 3.62Å; F556-I603 HydrophobicContact CZ-CG2 4.14Å; T578-I603 CarbonylContact C-O 3.53Å; T578-I603 WeakPolarHBondContact CA-O 3.48Å; Y579-I603 HydrophobicContact CD2-CB 4.4Å; Y579-I603 PolarHBondContact N-O 3.17Å; Y579-I603 PolarHBondContact O-N 3.03Å; L581-I603 HydrophobicContact CD1-CD1 3.4Å; L581-I603 VanDerWaalsContact CD1-CD1 3.4Å; L581-I603 HydrophobicContact CD1-CG1 3.93Å; V601-I603 HydrophobicContact CG1-CD1 4.44Å; V601-I603 HydrophobicContact CG1-CG1 3.95Å |
| 604 | E | 83.7 | Confident | 78 | Confident | 81 Ų | 81 | 68.6 Ų | 68.6 | 38% | 0.379 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.5 | 172.2 | -178.4 | 174.9 | -174.9 | 0 | 0 | 111.1 | V516 Y517 V518 T578 L606 | V516-E604 PolarHBondContact O-N 2.82Å; Y517-E604 WeakPolarHBondContact CA-O 3.26Å; Y517-E604 HydrophobicContact CD1-CB 3.96Å; Y517-E604 HydrophobicContact CD1-CG 4.47Å; Y517-E604 HydrophobicContact CE1-CB 4.19Å; V518-E604 PolarHBondContact N-O 2.84Å; T578-E604 HydrophobicContact CG2-CB 4.34Å; T578-E604 HydrophobicContact CG2-CG 4.26Å; E604-L606 HydrophobicContact CG-CD2 4.2Å |
| 605 | V | 82.7 | Confident | 77.6 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 112 | -177.2 | -174.3 | 0 | 0 | 0 | 0 | 112 | V518 T520 L573 I574 G576 Q577 Y579 | V518-V605 CarbonylContact O-C 3.49Å; V518-V605 WeakPolarHBondContact O-CA 3.26Å; T520-V605 HydrophobicContact CG2-CG1 3.44Å; T520-V605 VanDerWaalsContact CG2-CG1 3.44Å; L573-V605 HydrophobicContact CB-CG1 4.04Å; L573-V605 HydrophobicContact CB-CG2 4.43Å; I574-V605 WeakPolarHBondContact O-CB 3.31Å; G576-V605 PolarHBondContact N-O 3.44Å; Q577-V605 PolarHBondContact O-N 3.25Å; Y579-V605 HydrophobicContact CE2-CG2 4.46Å |
| 606 | L | 75.2 | Confident | 77.3 | Confident | 49 Ų | 49 | 67.5 Ų | 67.5 | 26% | 0.257 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 157.7 | -175 | -64.9 | -175.9 | 0 | 0 | 0 | 114.4 | Y517 V518 Y519 T520 E604 | Y517-L606 HydrophobicContact CD1-CD1 3.55Å; Y517-L606 HydrophobicContact CD1-CG 3.98Å; Y517-L606 HydrophobicContact CE1-CD1 4.31Å; Y517-L606 HydrophobicContact CG-CD1 3.83Å; V518-L606 PolarHBondContact O-N 2.88Å; Y519-L606 WeakPolarHBondContact CA-O 3.34Å; Y519-L606 HydrophobicContact CD1-CB 3.98Å; Y519-L606 HydrophobicContact CE1-CB 3.94Å; Y519-L606 HydrophobicContact CE1-CD1 4.49Å; T520-L606 PolarHBondContact N-O 2.95Å; E604-L606 HydrophobicContact CG-CD2 4.2Å |
| 607 | P | 71.2 | Confident | 76.9 | Confident | 76 Ų | 76 | 66.3 Ų | 66.3 | 49% | 0.494 | 35% | 0.35 | S | S | . | . | trans | -78.2 | 162.3 | 169.2 | 32.3 | -33.9 | 0 | 0 | 0 | 113 | ||||
| 608 | P | 59.1 | Low | 76.5 | Confident | 93 Ų | 93 | 70.4 Ų | 70.4 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | trans | -65.9 | 138.5 | -177 | -18.8 | 31.4 | 0 | 0 | 0 | 114.3 | ||||
| 609 | N | 50 | Low | 76 | Confident | 141 Ų | 141 | 71.5 Ų | 71.5 | 75% | 0.754 | 37% | 0.373 | S | S | * | . | trans | -113.5 | 143.9 | -177 | -176 | 14.1 | 0 | 0 | 0 | 113.9 | ||||
| 610 | N | 43.1 | Very low | 75.8 | Confident | 111 Ų | 111 | 77.5 Ų | 77.5 | 59% | 0.594 | 40% | 0.403 | S | S | * | . | trans | -150.6 | 84.2 | -173.8 | 176 | 33 | 0 | 0 | 0 | 114.9 | ||||
| 611 | Q | 53.6 | Low | 75.8 | Confident | 177 Ų | 177 | 77 Ų | 77 | 83% | 0.827 | 40% | 0.396 | S | S | * | . | trans | -167.8 | 129.2 | 154.2 | -62.4 | -162 | -77.5 | 0 | 0 | 107.9 | ||||
| 612 | S | 58.1 | Low | 75.8 | Confident | 62 Ų | 62 | 81.2 Ų | 81.2 | 43% | 0.434 | 43% | 0.426 | S | S | . | . | trans | -147.4 | 135 | -170.3 | -52.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 613 | P | 72.7 | Confident | 75.9 | Confident | 71 Ų | 71 | 77.3 Ų | 77.3 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | trans | -71.3 | 164.6 | 174.2 | 30 | -35.3 | 0 | 0 | 0 | 113 | R615 | P613-R615 PolarHBondContact O-N 2.79Š| ||
| 614 | P | 79.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 45% | 0.446 | C | S | . | . | trans | -55.4 | 128.8 | 176 | 19.6 | -31 | 0 | 0 | 0 | 110.2 | D642 I648 D692 S699 | P614-D642 HydrophobicContact CB-CB 4.15Å; P614-I648 HydrophobicContact CB-CD1 4.15Å; P614-I648 HydrophobicContact CB-CG1 4.4Å; P614-D692 HydrophobicContact CG-CB 4.36Å; P614-S699 WeakPolarHBondContact O-CB 3.35Å; P614-S699 PolarHBondContact O-OG 3.01Å | ||
| 615 | R | 81.5 | Confident | 76.6 | Confident | 172 Ų | 172 | 80.8 Ų | 80.8 | 65% | 0.649 | 43% | 0.429 | S | S | * | . | B | Isolated β-bridge | trans | -109.1 | 124.2 | -170.7 | -166.1 | 174.3 | -176.4 | -92.9 | 1.8 | 110.2 | P613 T641 | P613-R615 PolarHBondContact O-N 2.79Å; R615-T641 PolarHBondContact N-O 2.78Å; R615-T641 PolarHBondContact O-N 2.87Å; R615-T641 PolarHBondContact O-OG1 2.72Å |
| 616 | F | 85.8 | Confident | 77 | Confident | 4 Ų | 4 | 82.4 Ų | 82.4 | 2% | 0.018 | 44% | 0.441 | C | S | . | . | trans | -68.5 | 134.1 | 162 | -70.5 | -80.7 | 0 | 0 | 0 | 109.1 | Q618 Y621 L638 A640 Y650 A690 A701 | F616-Q618 WeakPolarHBondContact CB-O 3.37Å; F616-Q618 PolarHBondContact O-N 2.81Å; F616-Q618 VanDerWaalsContact O-N 3.13Å; F616-Y621 HydrophobicContact CB-CE2 4.43Å; F616-Y621 HydrophobicContact CD1-CE2 4.1Å; F616-L638 HydrophobicContact CE1-CB 4.3Å; F616-A640 HydrophobicContact CD1-CB 3.9Å; F616-A640 HydrophobicContact CE1-CB 3.92Å; F616-A640 HydrophobicContact CG-CB 4.24Å; F616-A640 HydrophobicContact CZ-CB 4.28Å; F616-Y650 HydrophobicContact CE1-CD1 4.33Å; F616-Y650 AromaticContact CE1-CE1 3.92Å; F616-Y650 HydrophobicContact CE1-CE1 3.92Å; F616-Y650 HydrophobicContact CZ-CD1 4.32Å; F616-Y650 HydrophobicContact CZ-CE1 4.22Å; F616-A690 HydrophobicContact CD2-CB 4.47Å; F616-A690 HydrophobicContact CE1-CB 4.2Å; F616-A690 HydrophobicContact CE2-CB 3.53Å; F616-A690 HydrophobicContact CZ-CB 3.37Å; F616-A701 HydrophobicContact CB-CB 4.2Å; F616-A701 HydrophobicContact CD1-CB 3.97Å; F616-A701 HydrophobicContact CD2-CB 3.49Å; F616-A701 VanDerWaalsContact CD2-CB 3.49Å; F616-A701 HydrophobicContact CE1-CB 4.16Å; F616-A701 HydrophobicContact CE2-CB 3.69Å; F616-A701 HydrophobicContact CG-CB 3.63Å; F616-A701 HydrophobicContact CZ-CB 4.02Å | ||
| 617 | P | 83.2 | Confident | 77.8 | Confident | 80 Ų | 80 | 80.7 Ų | 80.7 | 52% | 0.519 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -53.6 | -31.1 | 172.7 | -26.4 | 32.5 | 0 | 0 | 0 | 112.8 | Q639 | P617-Q639 WeakPolarHBondContact CD-O 3.41Š|
| 618 | Q | 84.7 | Confident | 78.7 | Confident | 110 Ų | 110 | 80.5 Ų | 80.5 | 51% | 0.514 | 44% | 0.436 | S | S | . | . | trans | -131.1 | 135.4 | 177.7 | -63.1 | 175.6 | -19.3 | 0 | 0 | 109.3 | F616 M620 Y621 | F616-Q618 WeakPolarHBondContact CB-O 3.37Å; F616-Q618 PolarHBondContact O-N 2.81Å; F616-Q618 VanDerWaalsContact O-N 3.13Å; Q618-M620 VanDerWaalsContact C-N 3.27Å; Q618-Y621 HydrophobicContact CB-CD1 4.45Å; Q618-Y621 HydrophobicContact CB-CE1 4.01Å; Q618-Y621 HydrophobicContact CB-CE2 4.25Å; Q618-Y621 HydrophobicContact CG-CE1 4.46Å; Q618-Y621 VanDerWaalsContact O-CE2 3.24Å; Q618-Y621 WeakPolarHBondContact O-CE2 3.27Å | ||
| 619 | L | 83.4 | Confident | 80.3 | Confident | 125 Ų | 125 | 79.5 Ų | 79.5 | 65% | 0.654 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -75.8 | -21.6 | 175.9 | -64.2 | 172.8 | 0 | 0 | 0 | 112.1 | A701 T702 | L619-A701 CarbonylContact O-C 3.48Å; L619-A701 WeakPolarHBondContact O-CA 3.2Å; L619-T702 PolarHBondContact O-N 3.15Å |
| 620 | M | 88.5 | Confident | 82.2 | Confident | 129 Ų | 129 | 82.8 Ų | 82.8 | 64% | 0.635 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 129.2 | 178.6 | -64.9 | 179 | 68.5 | 0 | 0 | 109.5 | Q618 T702 | Q618-M620 VanDerWaalsContact C-N 3.27Å; M620-T702 CarbonylContact C-O 3.59Å; M620-T702 VanDerWaalsContact CA-O 3.24Å; M620-T702 WeakPolarHBondContact CA-O 3.3Å |
| 621 | Y | 90 | Very high | 84.6 | Confident | 25 Ų | 25 | 82.3 Ų | 82.3 | 10% | 0.098 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.5 | 170.2 | -63.7 | -90.1 | 0 | 0 | 0 | 107.4 | F616 Q618 L638 A701 T702 V703 N704 | F616-Y621 HydrophobicContact CB-CE2 4.43Å; F616-Y621 HydrophobicContact CD1-CE2 4.1Å; Q618-Y621 HydrophobicContact CB-CD1 4.45Å; Q618-Y621 HydrophobicContact CB-CE1 4.01Å; Q618-Y621 HydrophobicContact CB-CE2 4.25Å; Q618-Y621 HydrophobicContact CG-CE1 4.46Å; Q618-Y621 VanDerWaalsContact O-CE2 3.24Å; Q618-Y621 WeakPolarHBondContact O-CE2 3.27Å; Y621-L638 HydrophobicContact CD1-CD2 4.44Å; Y621-L638 HydrophobicContact CD2-CD2 3.65Å; Y621-L638 HydrophobicContact CE1-CD2 4.43Å; Y621-L638 HydrophobicContact CE2-CD2 3.65Å; Y621-L638 HydrophobicContact CG-CD2 4.07Å; Y621-A701 HydrophobicContact CD2-CB 4.2Å; Y621-A701 HydrophobicContact CE2-CB 3.98Å; Y621-T702 PolarHBondContact N-O 2.84Å; Y621-V703 HydrophobicContact CD2-CG2 4.26Å; Y621-V703 CarbonylContact O-C 3.52Å; Y621-V703 WeakPolarHBondContact O-CA 3.47Å; Y621-N704 PolarHBondContact O-N 2.67Å |
| 622 | S | 90.1 | Very high | 86.3 | Confident | 90 Ų | 90 | 76.3 Ų | 76.3 | 63% | 0.629 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.6 | 175.4 | -159.7 | 0 | 0 | 0 | 0 | 108.9 | N704 | S622-N704 WeakPolarHBondContact CA-O 3.4Å; S622-N704 PolarHBondContact OG-ND2 3.5Å |
| 623 | L | 90.9 | Very high | 87.8 | Confident | 25 Ų | 25 | 74.5 Ų | 74.5 | 13% | 0.131 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 151.9 | 175.4 | 63.4 | 161.6 | 0 | 0 | 0 | 110.9 | V625 L635 L636 V703 N704 I705 V706 | L623-V625 HydrophobicContact CD1-CG2 3.71Å; L623-V625 HydrophobicContact CG-CG2 4.17Å; L623-L635 HydrophobicContact CD1-CB 3.82Å; L623-L636 HydrophobicContact CD1-CD1 4.15Å; L623-L636 HydrophobicContact CD1-CG 4Å; L623-L636 HydrophobicContact CD2-CD1 3.45Å; L623-L636 VanDerWaalsContact CD2-CD1 3.45Å; L623-L636 HydrophobicContact CD2-CG 4.19Å; L623-L636 HydrophobicContact CG-CD1 4.34Å; L623-V703 HydrophobicContact CD2-CG1 3.61Å; L623-N704 PolarHBondContact N-O 2.88Å; L623-I705 HydrophobicContact CD2-CB 4.48Å; L623-I705 HydrophobicContact CD2-CG1 3.74Å; L623-I705 HydrophobicContact CG-CG1 4.24Å; L623-V706 PolarHBondContact O-N 3.36Å |
| 624 | E | 92 | Very high | 88.7 | Confident | 152 Ų | 152 | 76.9 Ų | 76.9 | 71% | 0.71 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.7 | 173.6 | -76.9 | 176.9 | -170.2 | 0 | 0 | 109.1 | V706 T708 | E624-V706 CarbonylContact C-O 3.57Å; E624-V706 WeakPolarHBondContact CA-O 3.46Å; E624-V706 HydrophobicContact CG-CB 4.32Å; E624-T708 HydrophobicContact CB-CG2 3.65Å; E624-T708 HydrophobicContact CG-CG2 3.92Å |
| 625 | V | 92.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 78.2 Ų | 78.2 | 2% | 0.018 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120.5 | -179.3 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | L623 M629 L635 L676 I705 V706 V707 T708 | L623-V625 HydrophobicContact CD1-CG2 3.71Å; L623-V625 HydrophobicContact CG-CG2 4.17Å; V625-M629 HydrophobicContact CG1-CB 3.8Å; V625-M629 HydrophobicContact CG1-CE 4.19Å; V625-M629 HydrophobicContact CG1-CG 3.99Å; V625-L635 HydrophobicContact CG1-CD2 3.91Å; V625-L635 HydrophobicContact CG2-CD1 4.35Å; V625-L635 HydrophobicContact CG2-CD2 3.9Å; V625-L676 HydrophobicContact CB-CD1 4.25Å; V625-L676 HydrophobicContact CG1-CD1 3.62Å; V625-I705 HydrophobicContact CB-CG2 4.11Å; V625-I705 HydrophobicContact CG2-CG2 3.71Å; V625-V706 PolarHBondContact N-O 2.8Å; V625-V707 CarbonylContact O-C 3.52Å; V625-V707 VanDerWaalsContact O-CA 3.25Å; V625-V707 WeakPolarHBondContact O-CA 3.46Å; V625-T708 PolarHBondContact O-N 3.32Å |
| 626 | S | 92.3 | Very high | 89.6 | Confident | 36 Ų | 36 | 71.9 Ų | 71.9 | 25% | 0.252 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 138.2 | 173.5 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | A628 M629 T708 V710 | S626-A628 PolarHBondContact O-N 3.33Å; S626-A628 PolarHBondContact OG-N 3.45Å; S626-M629 WeakPolarHBondContact O-CB 3.28Å; S626-M629 PolarHBondContact O-N 3.33Å; S626-T708 WeakPolarHBondContact CA-O 3.28Å; S626-T708 WeakPolarHBondContact CA-OG1 3.44Å; S626-T708 PolarHBondContact N-OG1 2.78Å; S626-V710 VanDerWaalsContact OG-CG2 3.25Å; S626-V710 WeakPolarHBondContact OG-CG2 3.44Å |
| 627 | E | 92.3 | Very high | 89.8 | Confident | 13 Ų | 13 | 75.5 Ų | 75.5 | 6% | 0.061 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.9 | 174.9 | 77 | -164.9 | 128.5 | 0 | 0 | 112.9 | M629 L676 R678 V707 T708 V710 | E627-M629 PolarHBondContact O-N 2.71Å; E627-M629 VanDerWaalsContact O-N 3.08Å; E627-L676 HydrophobicContact CB-CB 4.16Å; E627-R678 HydrophobicContact CB-CB 4.42Å; E627-R678 WeakPolarHBondContact OE2-CB 3.44Å; E627-R678 PolarHBondContact OE2-N 3.11Å; E627-V707 HydrophobicContact CB-CG1 3.76Å; E627-T708 PolarHBondContact N-O 3.13Å; E627-T708 VanDerWaalsContact N-O 3.13Å; E627-V710 HydrophobicContact CG-CB 4.01Å; E627-V710 HydrophobicContact CG-CG2 4.02Å; E627-V710 PolarHBondContact OE1-N 3.19Å |
| 628 | A | 89.7 | Confident | 90.1 | Very high | 72 Ų | 72 | 71.8 Ų | 71.8 | 60% | 0.595 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 4.9 | 171 | 0 | 0 | 0 | 0 | 0 | 113.4 | S626 R630 V710 | S626-A628 PolarHBondContact O-N 3.33Å; S626-A628 PolarHBondContact OG-N 3.45Å; A628-R630 PolarHBondContact O-N 2.62Å; A628-V710 HydrophobicContact CB-CG1 4.42Å; A628-V710 HydrophobicContact CB-CG2 3.91Å |
| 629 | M | 92.2 | Very high | 90.1 | Very high | 71 Ų | 71 | 72 Ų | 72 | 35% | 0.35 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 131.7 | 176.9 | -173.9 | 63.5 | 68.1 | 0 | 0 | 110.8 | V625 S626 E627 I631 A633 L635 L672 | V625-M629 HydrophobicContact CG1-CB 3.8Å; V625-M629 HydrophobicContact CG1-CE 4.19Å; V625-M629 HydrophobicContact CG1-CG 3.99Å; S626-M629 WeakPolarHBondContact O-CB 3.28Å; S626-M629 PolarHBondContact O-N 3.33Å; E627-M629 PolarHBondContact O-N 2.71Å; E627-M629 VanDerWaalsContact O-N 3.08Å; M629-I631 PolarHBondContact O-N 3.02Å; M629-A633 HydrophobicContact CG-CB 3.75Å; M629-A633 HydrophobicContact SD-CB 3.64Å; M629-L635 HydrophobicContact CG-CD2 4.48Å; M629-L672 HydrophobicContact CB-CD2 3.98Å; M629-L672 HydrophobicContact CG-CD2 3.95Å |
| 630 | R | 90.7 | Very high | 90.1 | Very high | 211 Ų | 211 | 66.5 Ų | 66.5 | 80% | 0.796 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -69 | 134 | -179.1 | -170.7 | 177.6 | 177.8 | -176.7 | 0.2 | 111 | A628 G632 A633 | A628-R630 PolarHBondContact O-N 2.62Å; R630-G632 PolarHBondContact O-N 3.01Å; R630-A633 VanDerWaalsContact O-CB 3.24Å; R630-A633 WeakPolarHBondContact O-CB 3.35Å; R630-A633 PolarHBondContact O-N 3.34Å; R630-A633 VanDerWaalsContact O-N 3.1Å |
| 631 | I | 92 | Very high | 89.7 | Confident | 100 Ų | 100 | 64.9 Ų | 64.9 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 133.1 | 171.1 | -57.4 | 170.9 | 0 | 0 | 0 | 110.3 | M629 G673 A675 | M629-I631 PolarHBondContact O-N 3.02Å; I631-G673 WeakPolarHBondContact CG2-O 3.38Å; I631-A675 HydrophobicContact CD1-CB 4.25Å; I631-A675 HydrophobicContact CG1-CB 4.38Å |
| 632 | G | 89.2 | Confident | 89.2 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 53% | 0.526 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | -2.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | R630 L672 | R630-G632 PolarHBondContact O-N 3.01Å; G632-L672 WeakPolarHBondContact CA-O 3.17Å; G632-L672 PolarHBondContact N-O 3.47Å |
| 633 | A | 89.8 | Confident | 88.4 | Confident | 25 Ų | 25 | 68.7 Ų | 68.7 | 21% | 0.207 | 36% | 0.359 | C | S | . | . | trans | -61.8 | 139.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | M629 R630 S671 L672 | M629-A633 HydrophobicContact CG-CB 3.75Å; M629-A633 HydrophobicContact SD-CB 3.64Å; R630-A633 VanDerWaalsContact O-CB 3.24Å; R630-A633 WeakPolarHBondContact O-CB 3.35Å; R630-A633 PolarHBondContact O-N 3.34Å; R630-A633 VanDerWaalsContact O-N 3.1Å; A633-S671 CarbonylContact O-C 3.6Å; A633-S671 WeakPolarHBondContact O-CA 3.29Å; A633-S671 WeakPolarHBondContact O-CB 3.32Å; A633-L672 PolarHBondContact O-N 2.8Å | ||
| 634 | I | 91.7 | Very high | 87.5 | Confident | 121 Ų | 121 | 72.8 Ų | 72.8 | 62% | 0.621 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 124.1 | 174.1 | -63.2 | 168.9 | 0 | 0 | 0 | 107.9 | I669 | I634-I669 HydrophobicContact CB-CG2 4.42Å; I634-I669 HydrophobicContact CD1-CG2 4.32Å; I634-I669 HydrophobicContact CG1-CG2 4.01Å; I634-I669 HydrophobicContact CG2-CG2 3.69Å |
| 635 | L | 90.5 | Very high | 86.5 | Confident | 27 Ų | 27 | 68.5 Ų | 68.5 | 14% | 0.141 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -48.7 | -176.4 | -55.9 | -179.1 | 0 | 0 | 0 | 111.5 | L623 V625 M629 F661 L670 L672 I705 | L623-L635 HydrophobicContact CD1-CB 3.82Å; V625-L635 HydrophobicContact CG1-CD2 3.91Å; V625-L635 HydrophobicContact CG2-CD1 4.35Å; V625-L635 HydrophobicContact CG2-CD2 3.9Å; M629-L635 HydrophobicContact CG-CD2 4.48Å; L635-F661 HydrophobicContact CD1-CD1 3.65Å; L635-F661 HydrophobicContact CD1-CE1 3.62Å; L635-L670 PolarHBondContact N-O 2.76Å; L635-L672 HydrophobicContact CD1-CB 4.44Å; L635-I705 HydrophobicContact CD1-CD1 4.42Å |
| 636 | L | 90.8 | Very high | 85.9 | Confident | 40 Ų | 40 | 71.6 Ų | 71.6 | 21% | 0.209 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 155.7 | -178.5 | -84.9 | 172.8 | 0 | 0 | 0 | 111.7 | L623 L670 V703 | L623-L636 HydrophobicContact CD1-CD1 4.15Å; L623-L636 HydrophobicContact CD1-CG 4Å; L623-L636 HydrophobicContact CD2-CD1 3.45Å; L623-L636 VanDerWaalsContact CD2-CD1 3.45Å; L623-L636 HydrophobicContact CD2-CG 4.19Å; L623-L636 HydrophobicContact CG-CD1 4.34Å; L636-L670 HydrophobicContact CB-CB 4.23Å; L636-L670 PolarHBondContact N-O 2.93Å; L636-L670 PolarHBondContact O-N 3.22Å; L636-V703 HydrophobicContact CD1-CG1 3.68Å; L636-V703 HydrophobicContact CD1-CG2 4.43Å |
| 637 | N | 89.6 | Confident | 85.5 | Confident | 80 Ų | 80 | 75.1 Ų | 75.1 | 43% | 0.428 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 98.7 | 168.2 | -175.4 | -0.9 | 0 | 0 | 0 | 108.6 | Q639 T667 | N637-Q639 PolarHBondContact ND2-NE2 3.19Å; N637-Q639 PolarHBondContact O-N 3.06Å; N637-T667 PolarHBondContact OD1-O 2.82Å |
| 638 | L | 88.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 42% | 0.417 | C | S | . | . | trans | -78.1 | 114.7 | 179.7 | -66.3 | 170.5 | 0 | 0 | 0 | 109.4 | F616 Y621 Y650 L663 G668 V688 V703 | F616-L638 HydrophobicContact CE1-CB 4.3Å; Y621-L638 HydrophobicContact CD1-CD2 4.44Å; Y621-L638 HydrophobicContact CD2-CD2 3.65Å; Y621-L638 HydrophobicContact CE1-CD2 4.43Å; Y621-L638 HydrophobicContact CE2-CD2 3.65Å; Y621-L638 HydrophobicContact CG-CD2 4.07Å; L638-Y650 HydrophobicContact CB-CD1 4.41Å; L638-Y650 HydrophobicContact CB-CE1 4.31Å; L638-Y650 PolarHBondContact O-OH 2.84Å; L638-L663 HydrophobicContact CD1-CD1 4.1Å; L638-G668 WeakPolarHBondContact CB-O 3.21Å; L638-G668 PolarHBondContact N-O 3.29Å; L638-V688 HydrophobicContact CD1-CB 4.15Å; L638-V688 HydrophobicContact CD1-CG1 3.78Å; L638-V688 HydrophobicContact CD1-CG2 4.05Å; L638-V703 HydrophobicContact CD1-CG2 4.21Å; L638-V703 HydrophobicContact CD2-CG2 4Å | ||
| 639 | Q | 84.8 | Confident | 85.1 | Confident | 116 Ų | 116 | 76.2 Ų | 76.2 | 54% | 0.542 | 41% | 0.411 | S | S | . | . | trans | -120.9 | 89.9 | 178.6 | -63.2 | -174.2 | 14.5 | 0 | 0 | 109.6 | P617 N637 | P617-Q639 WeakPolarHBondContact CD-O 3.41Å; N637-Q639 PolarHBondContact ND2-NE2 3.19Å; N637-Q639 PolarHBondContact O-N 3.06Å | ||
| 640 | A | 84.6 | Confident | 85 | Confident | 9 Ų | 9 | 73.7 Ų | 73.7 | 7% | 0.074 | 40% | 0.398 | C | S | . | . | trans | -72.6 | 145.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | F616 I648 Y650 A690 | F616-A640 HydrophobicContact CD1-CB 3.9Å; F616-A640 HydrophobicContact CE1-CB 3.92Å; F616-A640 HydrophobicContact CG-CB 4.24Å; F616-A640 HydrophobicContact CZ-CB 4.28Å; A640-I648 HydrophobicContact CB-CD1 4.08Å; A640-I648 HydrophobicContact CB-CG2 4.4Å; A640-I648 WeakPolarHBondContact O-CD1 3.34Å; A640-Y650 HydrophobicContact CB-CE1 3.99Å; A640-Y650 PolarHBondContact N-OH 2.77Å; A640-A690 HydrophobicContact CB-CB 3.66Å | ||
| 641 | T | 80.1 | Confident | 85 | Confident | 94 Ų | 94 | 65.9 Ų | 65.9 | 58% | 0.577 | 38% | 0.379 | S | S | * | . | B | Isolated β-bridge | trans | -116.7 | 128 | 174.9 | 54.7 | 0 | 0 | 0 | 0 | 109.7 | R615 | R615-T641 PolarHBondContact N-O 2.78Å; R615-T641 PolarHBondContact O-N 2.87Å; R615-T641 PolarHBondContact O-OG1 2.72Å |
| 642 | D | 79.6 | Confident | 85 | Confident | 22 Ų | 22 | 63.3 Ų | 63.3 | 12% | 0.118 | 37% | 0.366 | C | S | . | . | trans | -94.2 | 138.9 | 170.8 | -176.4 | 54.4 | 0 | 0 | 0 | 110.4 | P614 E644 G645 D646 I648 | P614-D642 HydrophobicContact CB-CB 4.15Å; D642-E644 PolarHBondContact OD2-N 3.08Å; D642-G645 PolarHBondContact OD2-N 2.69Å; D642-D646 PolarHBondContact OD2-N 2.84Å; D642-I648 HydrophobicContact CB-CD1 4.1Å; D642-I648 HydrophobicContact CB-CG1 4.4Å | ||
| 643 | R | 72.7 | Confident | 85 | Confident | 174 Ų | 174 | 67 Ų | 67 | 66% | 0.657 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -74.3 | -32 | -175.4 | -179 | -179.2 | 178.4 | 171.3 | -1.6 | 111.3 | ||
| 644 | E | 72.2 | Confident | 85 | Confident | 110 Ų | 110 | 70.9 Ų | 70.9 | 51% | 0.514 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -85.1 | -19.6 | 178.9 | -70 | 66.9 | -151.5 | 0 | 0 | 112.3 | D642 | D642-E644 PolarHBondContact OD2-N 3.08Š|
| 645 | G | 71.3 | Confident | 84.8 | Confident | 63 Ų | 63 | 66.1 Ų | 66.1 | 65% | 0.649 | 37% | 0.367 | S | S | * | . | trans | 90.3 | 24.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D642 | D642-G645 PolarHBondContact OD2-N 2.69Š| ||
| 646 | D | 79.5 | Confident | 84.8 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 36% | 0.358 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 151.6 | 179.9 | -73.3 | -30.2 | 0 | 0 | 0 | 112.3 | D642 I648 D692 | D642-D646 PolarHBondContact OD2-N 2.84Å; D646-I648 PolarHBondContact O-N 3.25Å; D646-D692 HydrophobicContact CB-CB 4.08Å |
| 647 | P | 83.4 | Confident | 84.6 | Confident | 111 Ų | 111 | 69.5 Ų | 69.5 | 72% | 0.721 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 125.1 | 178.1 | -17.6 | 30.6 | 0 | 0 | 0 | 112 | ||
| 648 | I | 86 | Confident | 84.5 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 16% | 0.159 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -97.8 | 132.1 | -176.4 | -57.1 | 170.3 | 0 | 0 | 0 | 110.4 | P614 A640 D642 D646 Y650 A690 S691 | P614-I648 HydrophobicContact CB-CD1 4.15Å; P614-I648 HydrophobicContact CB-CG1 4.4Å; A640-I648 HydrophobicContact CB-CD1 4.08Å; A640-I648 HydrophobicContact CB-CG2 4.4Å; A640-I648 WeakPolarHBondContact O-CD1 3.34Å; D642-I648 HydrophobicContact CB-CD1 4.1Å; D642-I648 HydrophobicContact CB-CG1 4.4Å; D646-I648 PolarHBondContact O-N 3.25Å; I648-Y650 HydrophobicContact CB-CE2 4.47Å; I648-Y650 HydrophobicContact CG2-CE1 4.08Å; I648-Y650 HydrophobicContact CG2-CE2 4.02Å; I648-A690 HydrophobicContact CG2-CB 3.69Å; I648-S691 CarbonylContact C-O 3.57Å; I648-S691 WeakPolarHBondContact CA-O 3.26Å |
| 649 | T | 88.2 | Confident | 84.5 | Confident | 77 Ų | 77 | 80.9 Ų | 80.9 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 138 | 169 | 58 | 0 | 0 | 0 | 0 | 111.2 | E665 A690 S691 | T649-E665 WeakPolarHBondContact CA-O 3.42Å; T649-A690 WeakPolarHBondContact O-CA 3.29Å; T649-S691 PolarHBondContact N-O 2.61Å; T649-S691 PolarHBondContact O-N 3.2Å; T649-S691 PolarHBondContact OG1-O 3.03Å |
| 650 | Y | 91.4 | Very high | 84.9 | Confident | 17 Ų | 17 | 75.5 Ų | 75.5 | 7% | 0.067 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 136.5 | -179.8 | -60.4 | -85.8 | 0 | 0 | 0 | 111.8 | F616 L638 A640 I648 E665 T689 A690 | F616-Y650 HydrophobicContact CE1-CD1 4.33Å; F616-Y650 AromaticContact CE1-CE1 3.92Å; F616-Y650 HydrophobicContact CE1-CE1 3.92Å; F616-Y650 HydrophobicContact CZ-CD1 4.32Å; F616-Y650 HydrophobicContact CZ-CE1 4.22Å; L638-Y650 HydrophobicContact CB-CD1 4.41Å; L638-Y650 HydrophobicContact CB-CE1 4.31Å; L638-Y650 PolarHBondContact O-OH 2.84Å; A640-Y650 HydrophobicContact CB-CE1 3.99Å; A640-Y650 PolarHBondContact N-OH 2.77Å; I648-Y650 HydrophobicContact CB-CE2 4.47Å; I648-Y650 HydrophobicContact CG2-CE1 4.08Å; I648-Y650 HydrophobicContact CG2-CE2 4.02Å; Y650-E665 PolarHBondContact N-O 3.44Å; Y650-E665 WeakPolarHBondContact O-CA 3.48Å; Y650-T689 WeakPolarHBondContact CA-O 3.47Å; Y650-A690 HydrophobicContact CD1-CB 4.15Å; Y650-A690 HydrophobicContact CE1-CB 3.99Å |
| 651 | A | 90.7 | Very high | 85.3 | Confident | 48 Ų | 48 | 75.4 Ų | 75.4 | 40% | 0.397 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 144.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E653 V688 T689 | A651-E653 PolarHBondContact O-N 3.5Å; A651-V688 CarbonylContact O-C 3.54Å; A651-V688 WeakPolarHBondContact O-CA 3.41Å; A651-V688 VanDerWaalsContact O-CG1 3.31Å; A651-V688 WeakPolarHBondContact O-CG1 3.48Å; A651-T689 PolarHBondContact N-O 3.22Å; A651-T689 VanDerWaalsContact N-O 3.09Å; A651-T689 PolarHBondContact O-N 3.41Å; A651-T689 PolarHBondContact O-OG1 3.34Å |
| 652 | I | 91.2 | Very high | 85.9 | Confident | 46 Ų | 46 | 75.3 Ų | 75.3 | 24% | 0.236 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 109.4 | 166.6 | -56.1 | 173.1 | 0 | 0 | 0 | 106.8 | N654 D656 F661 L663 L670 L686 V688 | I652-N654 WeakPolarHBondContact CG2-O 3.15Å; I652-D656 HydrophobicContact CG2-CB 4.34Å; I652-F661 HydrophobicContact CD1-CB 4.23Å; I652-L663 HydrophobicContact CD1-CB 3.95Å; I652-L663 HydrophobicContact CG1-CB 3.9Å; I652-L663 HydrophobicContact CG1-CD2 3.79Å; I652-L670 HydrophobicContact CD1-CD1 4.04Å; I652-L686 HydrophobicContact CD1-CD1 4.33Å; I652-L686 HydrophobicContact CG2-CB 4.42Å; I652-L686 HydrophobicContact CG2-CD2 4.47Å; I652-V688 HydrophobicContact CG1-CG1 4.37Å |
| 653 | E | 88.8 | Confident | 86.5 | Confident | 128 Ų | 128 | 75.6 Ų | 75.6 | 60% | 0.598 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -43.9 | 178.2 | -178 | -178.9 | -170.2 | 0 | 0 | 111 | A651 I687 T689 | A651-E653 PolarHBondContact O-N 3.5Å; E653-I687 HydrophobicContact CB-CB 4.49Å; E653-I687 HydrophobicContact CB-CG2 4.29Å; E653-I687 PolarHBondContact N-O 3.21Å; E653-I687 WeakPolarHBondContact OE2-CG2 3.44Å; E653-T689 HydrophobicContact CB-CG2 4.12Å; E653-T689 WeakPolarHBondContact OE2-CG2 3.41Å |
| 654 | N | 89.6 | Confident | 87.4 | Confident | 107 Ų | 107 | 69.4 Ų | 69.4 | 57% | 0.572 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 168 | -176.7 | -154 | -6.1 | 0 | 0 | 0 | 111.5 | I652 L686 I687 | I652-N654 WeakPolarHBondContact CG2-O 3.15Å; N654-L686 WeakPolarHBondContact O-CA 3.47Å; N654-I687 HydrophobicContact CB-CB 4.3Å; N654-I687 HydrophobicContact CB-CD1 4.25Å; N654-I687 HydrophobicContact CB-CG1 4.45Å; N654-I687 PolarHBondContact N-O 2.89Å; N654-I687 PolarHBondContact O-N 3.14Å |
| 655 | G | 87.9 | Confident | 88.2 | Confident | 20 Ų | 20 | 71 Ų | 71 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | S | Bend | trans | 99.3 | -8.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | I685 L686 | G655-I685 VanDerWaalsContact CA-O 3.25Å; G655-I685 WeakPolarHBondContact CA-O 3.29Å; G655-L686 WeakPolarHBondContact O-CD2 3.28Å |
| 656 | D | 90.3 | Very high | 88.9 | Confident | 21 Ų | 21 | 73.5 Ų | 73.5 | 11% | 0.112 | 40% | 0.398 | C | S | . | . | trans | -128.2 | 71.8 | 177 | -174.1 | 12.9 | 0 | 0 | 0 | 112.7 | I652 Q658 R659 V660 F661 L686 | I652-D656 HydrophobicContact CG2-CB 4.34Å; D656-Q658 VanDerWaalsContact C-N 3.3Å; D656-Q658 PolarHBondContact O-N 3.03Å; D656-R659 PolarHBondContact O-N 3.25Å; D656-R659 WeakPolarHBondContact OD1-CA 3.49Å; D656-R659 PolarHBondContact OD1-N 3.3Å; D656-R659 VanDerWaalsContact OD2-CA 3.32Å; D656-R659 WeakPolarHBondContact OD2-CA 3.17Å; D656-V660 VanDerWaalsContact CG-N 3.3Å; D656-V660 PolarHBondContact OD1-N 3.13Å; D656-V660 PolarHBondContact OD2-N 3.21Å; D656-F661 HydrophobicContact CB-CD2 4.34Å; D656-F661 PolarHBondContact OD2-N 3.31Å; D656-L686 HydrophobicContact CB-CD2 3.72Å | ||
| 657 | P | 85.9 | Confident | 89.2 | Confident | 118 Ų | 118 | 73.4 Ų | 73.4 | 77% | 0.766 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -30.1 | -177.4 | 27 | -34.2 | 0 | 0 | 0 | 113 | R659 | P657-R659 VanDerWaalsContact C-N 3.34Š|
| 658 | Q | 87.3 | Confident | 89.5 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -1.5 | -176.9 | -65.9 | -176.5 | 4.1 | 0 | 0 | 113.3 | D656 V660 K674 | D656-Q658 VanDerWaalsContact C-N 3.3Å; D656-Q658 PolarHBondContact O-N 3.03Å; Q658-V660 HydrophobicContact CB-CG2 3.89Å; Q658-K674 PolarHBondContact O-NZ 3.08Å |
| 659 | R | 89.6 | Confident | 89.8 | Confident | 200 Ų | 200 | 69.2 Ų | 69.2 | 76% | 0.755 | 37% | 0.371 | S | S | * | . | trans | 53.7 | 52.6 | -175.1 | -58.3 | -174.7 | -179.2 | -171 | -1.8 | 111.3 | D656 P657 | D656-R659 PolarHBondContact O-N 3.25Å; D656-R659 WeakPolarHBondContact OD1-CA 3.49Å; D656-R659 PolarHBondContact OD1-N 3.3Å; D656-R659 VanDerWaalsContact OD2-CA 3.32Å; D656-R659 WeakPolarHBondContact OD2-CA 3.17Å; P657-R659 VanDerWaalsContact C-N 3.34Å | ||
| 660 | V | 91.7 | Very high | 90.1 | Very high | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | trans | -75.3 | -34.8 | 176.5 | 180 | 0 | 0 | 0 | 0 | 110.2 | D656 Q658 L672 G673 K674 L676 Y684 | D656-V660 VanDerWaalsContact CG-N 3.3Å; D656-V660 PolarHBondContact OD1-N 3.13Å; D656-V660 PolarHBondContact OD2-N 3.21Å; Q658-V660 HydrophobicContact CB-CG2 3.89Å; V660-L672 HydrophobicContact CG1-CD1 4Å; V660-G673 CarbonylContact O-C 3.55Å; V660-G673 WeakPolarHBondContact O-CA 3.5Å; V660-G673 PolarHBondContact O-N 3.26Å; V660-K674 HydrophobicContact CG1-CB 4.49Å; V660-K674 PolarHBondContact O-N 3.2Å; V660-K674 VanDerWaalsContact O-N 3.12Å; V660-L676 HydrophobicContact CG1-CD2 3.59Å; V660-Y684 HydrophobicContact CG2-CE1 4.19Å | ||
| 661 | F | 94 | Very high | 90.2 | Very high | 7 Ų | 7 | 66.1 Ų | 66.1 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 143.9 | -177.1 | -54.2 | -79.2 | 0 | 0 | 0 | 111.7 | L635 I652 D656 L670 S671 L672 L676 Y684 L686 I705 | L635-F661 HydrophobicContact CD1-CD1 3.65Å; L635-F661 HydrophobicContact CD1-CE1 3.62Å; I652-F661 HydrophobicContact CD1-CB 4.23Å; D656-F661 HydrophobicContact CB-CD2 4.34Å; D656-F661 PolarHBondContact OD2-N 3.31Å; F661-L670 HydrophobicContact CB-CD1 3.91Å; F661-S671 WeakPolarHBondContact CA-O 3.2Å; F661-L672 HydrophobicContact CD1-CD1 4.13Å; F661-L672 HydrophobicContact CE1-CD1 3.88Å; F661-L676 HydrophobicContact CE1-CD2 4.45Å; F661-L676 HydrophobicContact CZ-CD2 4.12Å; F661-Y684 AromaticContact CE2-CD1 3.68Å; F661-Y684 HydrophobicContact CE2-CD1 3.68Å; F661-Y684 AromaticContact CE2-CD2 3.79Å; F661-Y684 HydrophobicContact CE2-CD2 3.79Å; F661-Y684 HydrophobicContact CE2-CE1 4.16Å; F661-Y684 HydrophobicContact CE2-CE2 4.25Å; F661-Y684 AromaticContact CE2-CG 3.47Å; F661-Y684 HydrophobicContact CE2-CG 3.47Å; F661-Y684 VanDerWaalsContact CE2-CG 3.47Å; F661-Y684 HydrophobicContact CZ-CD1 4.46Å; F661-Y684 AromaticContact CZ-CD2 3.73Å; F661-Y684 HydrophobicContact CZ-CD2 3.73Å; F661-Y684 HydrophobicContact CZ-CE2 4.16Å; F661-Y684 AromaticContact CZ-CG 3.89Å; F661-Y684 HydrophobicContact CZ-CG 3.89Å; F661-L686 HydrophobicContact CB-CD1 4.38Å; F661-L686 HydrophobicContact CD2-CD1 3.88Å; F661-L686 HydrophobicContact CD2-CD2 4.06Å; F661-L686 HydrophobicContact CE2-CD1 4.42Å; F661-L686 HydrophobicContact CE2-CD2 4.36Å; F661-L686 HydrophobicContact CG-CD1 4.11Å; F661-I705 HydrophobicContact CD1-CD1 3.85Å; F661-I705 HydrophobicContact CD2-CD1 4.32Å; F661-I705 HydrophobicContact CE1-CD1 3.41Å; F661-I705 VanDerWaalsContact CE1-CD1 3.41Å; F661-I705 HydrophobicContact CE1-CG2 4.47Å; F661-I705 HydrophobicContact CE2-CD1 3.94Å; F661-I705 HydrophobicContact CG-CD1 4.29Å; F661-I705 HydrophobicContact CZ-CD1 3.46Å; F661-I705 VanDerWaalsContact CZ-CD1 3.46Å; F661-I705 HydrophobicContact CZ-CG2 4.28Å |
| 662 | N | 92.1 | Very high | 90.3 | Very high | 91 Ų | 91 | 63.9 Ų | 63.9 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 117 | 174.1 | -70.7 | -35 | 0 | 0 | 0 | 109.2 | S671 G673 | N662-S671 PolarHBondContact N-O 3.42Å; N662-S671 PolarHBondContact O-N 2.97Å; N662-S671 PolarHBondContact O-OG 2.93Å; N662-S671 VanDerWaalsContact O-OG 3.1Å; N662-G673 WeakPolarHBondContact ND2-CA 3.46Å |
| 663 | L | 92.9 | Very high | 90.2 | Very high | 29 Ų | 29 | 62.8 Ų | 62.8 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.5 | 173.4 | -178.8 | 64.9 | 0 | 0 | 0 | 110.1 | L638 I652 E665 I669 L670 V688 | L638-L663 HydrophobicContact CD1-CD1 4.1Å; I652-L663 HydrophobicContact CD1-CB 3.95Å; I652-L663 HydrophobicContact CG1-CB 3.9Å; I652-L663 HydrophobicContact CG1-CD2 3.79Å; L663-E665 PolarHBondContact O-N 2.99Å; L663-I669 WeakPolarHBondContact CA-O 3.4Å; L663-L670 HydrophobicContact CB-CD1 4.06Å; L663-L670 HydrophobicContact CD1-CB 4.13Å; L663-L670 HydrophobicContact CD1-CD1 4.23Å; L663-V688 HydrophobicContact CD2-CG1 3.27Å |
| 664 | S | 91.8 | Very high | 90.4 | Very high | 44 Ų | 44 | 61.7 Ų | 61.7 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | trans | -77.3 | 117.4 | 174.7 | 177 | 0 | 0 | 0 | 0 | 111.1 | T666 T667 G668 I669 | S664-T666 PolarHBondContact O-N 2.99Å; S664-T666 VanDerWaalsContact O-N 3.15Å; S664-T667 WeakPolarHBondContact CB-OG1 3.37Å; S664-T667 PolarHBondContact O-N 2.73Å; S664-T667 PolarHBondContact OG-OG1 2.92Å; S664-G668 PolarHBondContact O-N 2.65Å; S664-I669 PolarHBondContact N-O 3.5Å | ||
| 665 | E | 88.8 | Confident | 90.4 | Very high | 142 Ų | 142 | 60 Ų | 60 | 66% | 0.664 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31 | -176.8 | -65.3 | 178.2 | -171.2 | 0 | 0 | 114.2 | T649 Y650 L663 | T649-E665 WeakPolarHBondContact CA-O 3.42Å; Y650-E665 PolarHBondContact N-O 3.44Å; Y650-E665 WeakPolarHBondContact O-CA 3.48Å; L663-E665 PolarHBondContact O-N 2.99Å |
| 666 | T | 85.2 | Confident | 90.6 | Very high | 116 Ų | 116 | 59.6 Ų | 59.6 | 71% | 0.712 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -25.6 | -174.6 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | S664 | S664-T666 PolarHBondContact O-N 2.99Å; S664-T666 VanDerWaalsContact O-N 3.15Å |
| 667 | T | 87.3 | Confident | 90.7 | Very high | 66 Ų | 66 | 62 Ų | 62 | 41% | 0.405 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -15.2 | -174.7 | 64.3 | 0 | 0 | 0 | 0 | 113.5 | N637 S664 I669 | N637-T667 PolarHBondContact OD1-O 2.82Å; S664-T667 WeakPolarHBondContact CB-OG1 3.37Å; S664-T667 PolarHBondContact O-N 2.73Å; S664-T667 PolarHBondContact OG-OG1 2.92Å; T667-I669 PolarHBondContact O-N 3.23Å; T667-I669 WeakPolarHBondContact OG1-CG1 3.18Å |
| 668 | G | 88.7 | Confident | 91 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | 70.9 | 10 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | L638 S664 L670 | L638-G668 WeakPolarHBondContact CB-O 3.21Å; L638-G668 PolarHBondContact N-O 3.29Å; S664-G668 PolarHBondContact O-N 2.65Å; G668-L670 PolarHBondContact O-N 3.37Å | ||
| 669 | I | 93.1 | Very high | 91.2 | Very high | 54 Ų | 54 | 55.1 Ų | 55.1 | 28% | 0.277 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 116.8 | 178.9 | -62.7 | 174.1 | 0 | 0 | 0 | 109.7 | I634 L663 S664 T667 | I634-I669 HydrophobicContact CB-CG2 4.42Å; I634-I669 HydrophobicContact CD1-CG2 4.32Å; I634-I669 HydrophobicContact CG1-CG2 4.01Å; I634-I669 HydrophobicContact CG2-CG2 3.69Å; L663-I669 WeakPolarHBondContact CA-O 3.4Å; S664-I669 PolarHBondContact N-O 3.5Å; T667-I669 PolarHBondContact O-N 3.23Å; T667-I669 WeakPolarHBondContact OG1-CG1 3.18Å |
| 670 | L | 93.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.2 | 172.4 | -173.2 | 69.7 | 0 | 0 | 0 | 109.2 | L635 L636 I652 F661 L663 G668 L686 V703 I705 | L635-L670 PolarHBondContact N-O 2.76Å; L636-L670 HydrophobicContact CB-CB 4.23Å; L636-L670 PolarHBondContact N-O 2.93Å; L636-L670 PolarHBondContact O-N 3.22Å; I652-L670 HydrophobicContact CD1-CD1 4.04Å; F661-L670 HydrophobicContact CB-CD1 3.91Å; L663-L670 HydrophobicContact CB-CD1 4.06Å; L663-L670 HydrophobicContact CD1-CB 4.13Å; L663-L670 HydrophobicContact CD1-CD1 4.23Å; G668-L670 PolarHBondContact O-N 3.37Å; L670-L686 HydrophobicContact CD1-CD1 4.26Å; L670-L686 HydrophobicContact CD2-CD1 4.1Å; L670-V703 HydrophobicContact CD2-CG1 4.11Å; L670-I705 HydrophobicContact CD2-CD1 4.12Å |
| 671 | S | 93.3 | Very high | 91.1 | Very high | 27 Ų | 27 | 51.4 Ų | 51.4 | 19% | 0.189 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 155.4 | -176.9 | 60.7 | 0 | 0 | 0 | 0 | 111.9 | A633 F661 N662 G673 | A633-S671 CarbonylContact O-C 3.6Å; A633-S671 WeakPolarHBondContact O-CA 3.29Å; A633-S671 WeakPolarHBondContact O-CB 3.32Å; F661-S671 WeakPolarHBondContact CA-O 3.2Å; N662-S671 PolarHBondContact N-O 3.42Å; N662-S671 PolarHBondContact O-N 2.97Å; N662-S671 PolarHBondContact O-OG 2.93Å; N662-S671 VanDerWaalsContact O-OG 3.1Å; S671-G673 PolarHBondContact O-N 2.87Å |
| 672 | L | 93.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 117.3 | 179.1 | -172.5 | 63.7 | 0 | 0 | 0 | 110.7 | M629 G632 A633 L635 V660 F661 K674 L676 | M629-L672 HydrophobicContact CB-CD2 3.98Å; M629-L672 HydrophobicContact CG-CD2 3.95Å; G632-L672 WeakPolarHBondContact CA-O 3.17Å; G632-L672 PolarHBondContact N-O 3.47Å; A633-L672 PolarHBondContact O-N 2.8Å; L635-L672 HydrophobicContact CD1-CB 4.44Å; V660-L672 HydrophobicContact CG1-CD1 4Å; F661-L672 HydrophobicContact CD1-CD1 4.13Å; F661-L672 HydrophobicContact CE1-CD1 3.88Å; L672-K674 WeakPolarHBondContact CD1-O 3.11Å; L672-K674 WeakPolarHBondContact CG-O 3.2Å; L672-L676 HydrophobicContact CD1-CD1 4.04Å; L672-L676 HydrophobicContact CD1-CD2 3.84Å; L672-L676 HydrophobicContact CD1-CG 3.73Å; L672-L676 HydrophobicContact CD2-CD1 4.28Å; L672-L676 HydrophobicContact CD2-CG 4.2Å |
| 673 | G | 89.9 | Confident | 90.8 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 24% | 0.237 | 32% | 0.321 | C | S | . | . | trans | -93.2 | -29.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | I631 V660 N662 S671 | I631-G673 WeakPolarHBondContact CG2-O 3.38Å; V660-G673 CarbonylContact O-C 3.55Å; V660-G673 WeakPolarHBondContact O-CA 3.5Å; V660-G673 PolarHBondContact O-N 3.26Å; N662-G673 WeakPolarHBondContact ND2-CA 3.46Å; S671-G673 PolarHBondContact O-N 2.87Å | ||
| 674 | K | 91.9 | Very high | 90.8 | Very high | 106 Ų | 106 | 57.6 Ų | 57.6 | 46% | 0.461 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -132.2 | 160 | 176.4 | -67 | 179.5 | -178.5 | 171.2 | 0 | 110.5 | Q658 V660 L672 | Q658-K674 PolarHBondContact O-NZ 3.08Å; V660-K674 HydrophobicContact CG1-CB 4.49Å; V660-K674 PolarHBondContact O-N 3.2Å; V660-K674 VanDerWaalsContact O-N 3.12Å; L672-K674 WeakPolarHBondContact CD1-O 3.11Å; L672-K674 WeakPolarHBondContact CG-O 3.2Å |
| 675 | A | 90.8 | Very high | 90.8 | Very high | 70 Ų | 70 | 59.1 Ų | 59.1 | 58% | 0.579 | 32% | 0.321 | S | S | * | . | trans | -60.6 | 144.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | I631 | I631-A675 HydrophobicContact CD1-CB 4.25Å; I631-A675 HydrophobicContact CG1-CB 4.38Å | ||
| 676 | L | 91.8 | Very high | 91 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | trans | -88.8 | 150.3 | 172.6 | -64.9 | 172.2 | 0 | 0 | 0 | 108.6 | V625 E627 V660 F661 L672 Y684 V707 | V625-L676 HydrophobicContact CB-CD1 4.25Å; V625-L676 HydrophobicContact CG1-CD1 3.62Å; E627-L676 HydrophobicContact CB-CB 4.16Å; V660-L676 HydrophobicContact CG1-CD2 3.59Å; F661-L676 HydrophobicContact CE1-CD2 4.45Å; F661-L676 HydrophobicContact CZ-CD2 4.12Å; L672-L676 HydrophobicContact CD1-CD1 4.04Å; L672-L676 HydrophobicContact CD1-CD2 3.84Å; L672-L676 HydrophobicContact CD1-CG 3.73Å; L672-L676 HydrophobicContact CD2-CD1 4.28Å; L672-L676 HydrophobicContact CD2-CG 4.2Å; L676-Y684 HydrophobicContact CD2-CE2 3.87Å; L676-V707 HydrophobicContact CB-CG1 4.32Å; L676-V707 HydrophobicContact CD1-CG1 4.36Å; L676-V707 HydrophobicContact CD1-CG2 4.32Å; L676-V707 HydrophobicContact CD2-CG2 4.49Å | ||
| 677 | D | 91.4 | Very high | 91.3 | Very high | 71 Ų | 71 | 49.7 Ų | 49.7 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | trans | -141.4 | 105.4 | 174.6 | 164.5 | 1.6 | 0 | 0 | 0 | 104.5 | E679 S680 T681 | D677-E679 VanDerWaalsContact C-N 3.33Å; D677-E679 PolarHBondContact OD1-N 2.81Å; D677-S680 PolarHBondContact O-N 2.68Å; D677-S680 PolarHBondContact OD1-N 2.91Å; D677-S680 VanDerWaalsContact OD1-N 3.13Å; D677-S680 WeakPolarHBondContact OD2-CB 3.2Å; D677-S680 PolarHBondContact OD2-OG 2.9Å; D677-T681 PolarHBondContact O-N 3.48Å | ||
| 678 | R | 92.4 | Very high | 91.5 | Very high | 35 Ų | 35 | 46.6 Ų | 46.6 | 13% | 0.132 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -35.9 | -173.1 | -170 | -160.2 | 64 | 75.9 | -1 | 110.8 | E627 S680 T681 D682 V707 D709 P744 D745 | E627-R678 HydrophobicContact CB-CB 4.42Å; E627-R678 WeakPolarHBondContact OE2-CB 3.44Å; E627-R678 PolarHBondContact OE2-N 3.11Å; R678-S680 PolarHBondContact O-N 3.44Å; R678-T681 CarbonylContact O-C 3.55Å; R678-T681 VanDerWaalsContact O-C 3.25Å; R678-T681 PolarHBondContact O-N 3.28Å; R678-T681 VanDerWaalsContact O-N 3.12Å; R678-D682 HydrophobicContact CG-CB 4.03Å; R678-D682 PolarHBondContact O-N 3.44Å; R678-V707 HydrophobicContact CB-CB 4.39Å; R678-V707 HydrophobicContact CB-CG1 3.8Å; R678-V707 HydrophobicContact CG-CB 4.07Å; R678-V707 HydrophobicContact CG-CG1 3.99Å; R678-D709 IonicContact CZ-OD1 3.28Å; R678-D709 IonicContact NE-OD1 3.42Å; R678-D709 PolarHBondContact NE-OD1 2.97Å; R678-D709 IonicContact NH2-OD1 3.21Å; R678-D709 PolarHBondContact NH2-OD1 3.46Å; R678-P744 PolarHBondContact NH2-O 2.82Å; R678-P744 VanDerWaalsContact NH2-O 3.11Å; R678-D745 VanDerWaalsContact NH2-C 3.27Å |
| 679 | E | 92.1 | Very high | 91.6 | Very high | 59 Ų | 59 | 47.9 Ų | 47.9 | 28% | 0.276 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.8 | 179.4 | -71.3 | 58.8 | -108.1 | 0 | 0 | 111 | D677 P744 | D677-E679 VanDerWaalsContact C-N 3.33Å; D677-E679 PolarHBondContact OD1-N 2.81Å; E679-P744 HydrophobicContact CG-CB 3.79Å; E679-P744 HydrophobicContact CG-CG 4.12Å |
| 680 | S | 88.4 | Confident | 91.3 | Very high | 87 Ų | 87 | 45.3 Ų | 45.3 | 61% | 0.608 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -44.7 | 171 | -72.8 | 0 | 0 | 0 | 0 | 113.5 | D677 R678 | D677-S680 PolarHBondContact O-N 2.68Å; D677-S680 PolarHBondContact OD1-N 2.91Å; D677-S680 VanDerWaalsContact OD1-N 3.13Å; D677-S680 WeakPolarHBondContact OD2-CB 3.2Å; D677-S680 PolarHBondContact OD2-OG 2.9Å; R678-S680 PolarHBondContact O-N 3.44Å |
| 681 | T | 89.4 | Confident | 91 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 23% | 0.233 | 25% | 0.253 | C | S | . | . | trans | -152.2 | 109.7 | -179.6 | -54 | 0 | 0 | 0 | 0 | 111.3 | D677 R678 Y684 | D677-T681 PolarHBondContact O-N 3.48Å; R678-T681 CarbonylContact O-C 3.55Å; R678-T681 VanDerWaalsContact O-C 3.25Å; R678-T681 PolarHBondContact O-N 3.28Å; R678-T681 VanDerWaalsContact O-N 3.12Å; T681-Y684 HydrophobicContact CG2-CD1 4.28Å; T681-Y684 HydrophobicContact CG2-CD2 4.35Å; T681-Y684 HydrophobicContact CG2-CE1 3.81Å; T681-Y684 HydrophobicContact CG2-CE2 3.88Å | ||
| 682 | D | 89.8 | Confident | 90.5 | Very high | 98 Ų | 98 | 46.3 Ų | 46.3 | 52% | 0.524 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -83.9 | -20.3 | -174.3 | 66.4 | -18.4 | 0 | 0 | 0 | 114.4 | R678 V707 | R678-D682 HydrophobicContact CG-CB 4.03Å; R678-D682 PolarHBondContact O-N 3.44Å; D682-V707 WeakPolarHBondContact O-CB 3.39Å; D682-V707 PolarHBondContact O-N 3.27Å |
| 683 | R | 92.1 | Very high | 89.7 | Confident | 142 Ų | 142 | 49.5 Ų | 49.5 | 54% | 0.536 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 134.1 | -176.6 | -172.8 | 175 | 64 | 176.8 | -0.9 | 112.6 | I685 N704 I705 | R683-I685 HydrophobicContact CG-CG1 4.3Å; R683-N704 WeakPolarHBondContact CD-OD1 2.92Å; R683-N704 WeakPolarHBondContact CG-OD1 3.43Å; R683-I705 WeakPolarHBondContact CA-O 3.37Å |
| 684 | Y | 91.5 | Very high | 88.9 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124 | 171.4 | -63 | -92.9 | 0 | 0 | 0 | 110.5 | V660 F661 L676 T681 I705 V707 | V660-Y684 HydrophobicContact CG2-CE1 4.19Å; F661-Y684 AromaticContact CE2-CD1 3.68Å; F661-Y684 HydrophobicContact CE2-CD1 3.68Å; F661-Y684 AromaticContact CE2-CD2 3.79Å; F661-Y684 HydrophobicContact CE2-CD2 3.79Å; F661-Y684 HydrophobicContact CE2-CE1 4.16Å; F661-Y684 HydrophobicContact CE2-CE2 4.25Å; F661-Y684 AromaticContact CE2-CG 3.47Å; F661-Y684 HydrophobicContact CE2-CG 3.47Å; F661-Y684 VanDerWaalsContact CE2-CG 3.47Å; F661-Y684 HydrophobicContact CZ-CD1 4.46Å; F661-Y684 AromaticContact CZ-CD2 3.73Å; F661-Y684 HydrophobicContact CZ-CD2 3.73Å; F661-Y684 HydrophobicContact CZ-CE2 4.16Å; F661-Y684 AromaticContact CZ-CG 3.89Å; F661-Y684 HydrophobicContact CZ-CG 3.89Å; L676-Y684 HydrophobicContact CD2-CE2 3.87Å; T681-Y684 HydrophobicContact CG2-CD1 4.28Å; T681-Y684 HydrophobicContact CG2-CD2 4.35Å; T681-Y684 HydrophobicContact CG2-CE1 3.81Å; T681-Y684 HydrophobicContact CG2-CE2 3.88Å; Y684-I705 PolarHBondContact N-O 2.94Å; Y684-I705 PolarHBondContact O-N 2.64Å; Y684-V707 HydrophobicContact CD2-CG2 4.05Å; Y684-V707 HydrophobicContact CE2-CG2 4Å |
| 685 | I | 92.4 | Very high | 87.8 | Confident | 77 Ų | 77 | 57.1 Ų | 57.1 | 40% | 0.395 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 92.3 | 174.9 | -57.4 | 176.3 | 0 | 0 | 0 | 107.5 | G655 R683 T702 | G655-I685 VanDerWaalsContact CA-O 3.25Å; G655-I685 WeakPolarHBondContact CA-O 3.29Å; R683-I685 HydrophobicContact CG-CG1 4.3Å; I685-T702 HydrophobicContact CG2-CG2 3.48Å; I685-T702 VanDerWaalsContact CG2-CG2 3.48Å |
| 686 | L | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 129.4 | -179.5 | -48.5 | -177.9 | 0 | 0 | 0 | 109.6 | I652 N654 G655 D656 F661 L670 V688 T702 V703 I705 | I652-L686 HydrophobicContact CD1-CD1 4.33Å; I652-L686 HydrophobicContact CG2-CB 4.42Å; I652-L686 HydrophobicContact CG2-CD2 4.47Å; N654-L686 WeakPolarHBondContact O-CA 3.47Å; G655-L686 WeakPolarHBondContact O-CD2 3.28Å; D656-L686 HydrophobicContact CB-CD2 3.72Å; F661-L686 HydrophobicContact CB-CD1 4.38Å; F661-L686 HydrophobicContact CD2-CD1 3.88Å; F661-L686 HydrophobicContact CD2-CD2 4.06Å; F661-L686 HydrophobicContact CE2-CD1 4.42Å; F661-L686 HydrophobicContact CE2-CD2 4.36Å; F661-L686 HydrophobicContact CG-CD1 4.11Å; L670-L686 HydrophobicContact CD1-CD1 4.26Å; L670-L686 HydrophobicContact CD2-CD1 4.1Å; L686-V688 HydrophobicContact CB-CG2 4.35Å; L686-T702 CarbonylContact O-C 3.57Å; L686-T702 WeakPolarHBondContact O-CA 3.38Å; L686-V703 HydrophobicContact CB-CB 4.19Å; L686-V703 PolarHBondContact N-O 3.36Å; L686-V703 PolarHBondContact O-N 2.97Å; L686-I705 HydrophobicContact CD1-CD1 3.69Å; L686-I705 HydrophobicContact CG-CD1 4.3Å |
| 687 | I | 91.1 | Very high | 85.9 | Confident | 59 Ų | 59 | 60.6 Ų | 60.6 | 30% | 0.303 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 112.8 | 167.9 | -58.5 | 179.9 | 0 | 0 | 0 | 106.5 | E653 N654 T700 | E653-I687 HydrophobicContact CB-CB 4.49Å; E653-I687 HydrophobicContact CB-CG2 4.29Å; E653-I687 PolarHBondContact N-O 3.21Å; E653-I687 WeakPolarHBondContact OE2-CG2 3.44Å; N654-I687 HydrophobicContact CB-CB 4.3Å; N654-I687 HydrophobicContact CB-CD1 4.25Å; N654-I687 HydrophobicContact CB-CG1 4.45Å; N654-I687 PolarHBondContact N-O 2.89Å; N654-I687 PolarHBondContact O-N 3.14Å; I687-T700 HydrophobicContact CG2-CG2 4.33Å |
| 688 | V | 92.1 | Very high | 85.4 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.9 | -177.3 | -138.6 | 0 | 0 | 0 | 0 | 108.8 | L638 A651 I652 L663 L686 T700 A701 V703 | L638-V688 HydrophobicContact CD1-CB 4.15Å; L638-V688 HydrophobicContact CD1-CG1 3.78Å; L638-V688 HydrophobicContact CD1-CG2 4.05Å; A651-V688 CarbonylContact O-C 3.54Å; A651-V688 WeakPolarHBondContact O-CA 3.41Å; A651-V688 VanDerWaalsContact O-CG1 3.31Å; A651-V688 WeakPolarHBondContact O-CG1 3.48Å; I652-V688 HydrophobicContact CG1-CG1 4.37Å; L663-V688 HydrophobicContact CD2-CG1 3.27Å; L686-V688 HydrophobicContact CB-CG2 4.35Å; V688-T700 CarbonylContact O-C 3.5Å; V688-T700 WeakPolarHBondContact O-CA 3.48Å; V688-A701 PolarHBondContact N-O 2.93Å; V688-A701 PolarHBondContact O-N 2.84Å; V688-V703 HydrophobicContact CG2-CB 4.07Å; V688-V703 HydrophobicContact CG2-CG2 3.4Å; V688-V703 VanDerWaalsContact CG2-CG2 3.4Å |
| 689 | T | 89.5 | Confident | 85 | Confident | 28 Ų | 28 | 60 Ų | 60 | 17% | 0.172 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 139.4 | 178.8 | 50 | 0 | 0 | 0 | 0 | 109.7 | Y650 A651 E653 S699 T700 | Y650-T689 WeakPolarHBondContact CA-O 3.47Å; A651-T689 PolarHBondContact N-O 3.22Å; A651-T689 VanDerWaalsContact N-O 3.09Å; A651-T689 PolarHBondContact O-N 3.41Å; A651-T689 PolarHBondContact O-OG1 3.34Å; E653-T689 HydrophobicContact CB-CG2 4.12Å; E653-T689 WeakPolarHBondContact OE2-CG2 3.41Å; T689-S699 CarbonylContact C-O 3.48Å; T689-S699 WeakPolarHBondContact CA-O 3.42Å; T689-T700 HydrophobicContact CG2-CG2 3.74Å |
| 690 | A | 88.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | F616 A640 I648 T649 Y650 T698 S699 | F616-A690 HydrophobicContact CD2-CB 4.47Å; F616-A690 HydrophobicContact CE1-CB 4.2Å; F616-A690 HydrophobicContact CE2-CB 3.53Å; F616-A690 HydrophobicContact CZ-CB 3.37Å; A640-A690 HydrophobicContact CB-CB 3.66Å; I648-A690 HydrophobicContact CG2-CB 3.69Å; T649-A690 WeakPolarHBondContact O-CA 3.29Å; Y650-A690 HydrophobicContact CD1-CB 4.15Å; Y650-A690 HydrophobicContact CE1-CB 3.99Å; A690-T698 WeakPolarHBondContact O-CA 3.37Å; A690-S699 PolarHBondContact N-O 3.37Å; A690-S699 PolarHBondContact O-N 2.96Å |
| 691 | S | 87.2 | Confident | 84.9 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 15% | 0.147 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.2 | -179.2 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | I648 T649 G693 | I648-S691 CarbonylContact C-O 3.57Å; I648-S691 WeakPolarHBondContact CA-O 3.26Å; T649-S691 PolarHBondContact N-O 2.61Å; T649-S691 PolarHBondContact O-N 3.2Å; T649-S691 PolarHBondContact OG1-O 3.03Å; S691-G693 PolarHBondContact O-N 3.46Å; S691-G693 PolarHBondContact OG-N 2.8Å; S691-G693 VanDerWaalsContact OG-N 3.13Å |
| 692 | D | 82.4 | Confident | 85 | Confident | 28 Ų | 28 | 57.1 Ų | 57.1 | 15% | 0.15 | 31% | 0.314 | C | S | . | . | trans | -80 | 0.3 | 168.9 | 68.8 | -1.2 | 0 | 0 | 0 | 113.1 | P614 D646 R694 G697 | P614-D692 HydrophobicContact CG-CB 4.36Å; D646-D692 HydrophobicContact CB-CB 4.08Å; D692-R694 WeakPolarHBondContact OD1-CB 3.24Å; D692-R694 PolarHBondContact OD1-N 3.09Å; D692-G697 PolarHBondContact N-O 3.21Å; D692-G697 WeakPolarHBondContact OD1-CA 3.37Å | ||
| 693 | G | 76.3 | Confident | 85.1 | Confident | 67 Ų | 67 | 52.4 Ų | 52.4 | 69% | 0.691 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 92.6 | -2.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | S691 | S691-G693 PolarHBondContact O-N 3.46Å; S691-G693 PolarHBondContact OG-N 2.8Å; S691-G693 VanDerWaalsContact OG-N 3.13Å |
| 694 | R | 73.6 | Confident | 85.1 | Confident | 170 Ų | 170 | 47.1 Ų | 47.1 | 64% | 0.642 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -97 | 152.8 | 175 | -68.2 | 178.8 | 163.6 | -175.9 | 1 | 112.2 | D692 D696 G697 | D692-R694 WeakPolarHBondContact OD1-CB 3.24Å; D692-R694 PolarHBondContact OD1-N 3.09Å; R694-D696 VanDerWaalsContact C-N 3.26Å; R694-D696 PolarHBondContact O-N 2.9Å; R694-G697 PolarHBondContact O-N 2.85Å |
| 695 | P | 68.6 | Low | 85.2 | Confident | 119 Ų | 119 | 46.3 Ų | 46.3 | 77% | 0.773 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -35.9 | -179.6 | -21 | 31.5 | 0 | 0 | 0 | 113.6 | ||
| 696 | D | 68.2 | Low | 85.2 | Confident | 151 Ų | 151 | 45 Ų | 45 | 81% | 0.807 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 2.5 | -176.5 | -45.5 | -29.9 | 0 | 0 | 0 | 112.2 | R694 | R694-D696 VanDerWaalsContact C-N 3.26Å; R694-D696 PolarHBondContact O-N 2.9Å |
| 697 | G | 73.2 | Confident | 85.1 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | trans | -103.9 | 38.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | D692 R694 | D692-G697 PolarHBondContact N-O 3.21Å; D692-G697 WeakPolarHBondContact OD1-CA 3.37Å; R694-G697 PolarHBondContact O-N 2.85Å | ||
| 698 | T | 82.3 | Confident | 85.1 | Confident | 75 Ų | 75 | 44.6 Ų | 44.6 | 46% | 0.46 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 137 | 177 | 54.4 | 0 | 0 | 0 | 0 | 111 | A690 | A690-T698 WeakPolarHBondContact O-CA 3.37Å |
| 699 | S | 84.3 | Confident | 85.2 | Confident | 20 Ų | 20 | 46.1 Ų | 46.1 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 149.7 | 165.4 | 62.2 | 0 | 0 | 0 | 0 | 110.1 | P614 T689 A690 | P614-S699 WeakPolarHBondContact O-CB 3.35Å; P614-S699 PolarHBondContact O-OG 3.01Å; T689-S699 CarbonylContact C-O 3.48Å; T689-S699 WeakPolarHBondContact CA-O 3.42Å; A690-S699 PolarHBondContact N-O 3.37Å; A690-S699 PolarHBondContact O-N 2.96Å |
| 700 | T | 88.2 | Confident | 85.2 | Confident | 78 Ų | 78 | 47 Ų | 47 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 141.4 | 178.1 | 48.6 | 0 | 0 | 0 | 0 | 109.4 | I687 V688 T689 | I687-T700 HydrophobicContact CG2-CG2 4.33Å; V688-T700 CarbonylContact O-C 3.5Å; V688-T700 WeakPolarHBondContact O-CA 3.48Å; T689-T700 HydrophobicContact CG2-CG2 3.74Å |
| 701 | A | 89.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 144.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | F616 L619 Y621 V688 | F616-A701 HydrophobicContact CB-CB 4.2Å; F616-A701 HydrophobicContact CD1-CB 3.97Å; F616-A701 HydrophobicContact CD2-CB 3.49Å; F616-A701 VanDerWaalsContact CD2-CB 3.49Å; F616-A701 HydrophobicContact CE1-CB 4.16Å; F616-A701 HydrophobicContact CE2-CB 3.69Å; F616-A701 HydrophobicContact CG-CB 3.63Å; F616-A701 HydrophobicContact CZ-CB 4.02Å; L619-A701 CarbonylContact O-C 3.48Å; L619-A701 WeakPolarHBondContact O-CA 3.2Å; Y621-A701 HydrophobicContact CD2-CB 4.2Å; Y621-A701 HydrophobicContact CE2-CB 3.98Å; V688-A701 PolarHBondContact N-O 2.93Å; V688-A701 PolarHBondContact O-N 2.84Å |
| 702 | T | 90.7 | Very high | 85.6 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 27% | 0.27 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 123.6 | 175.6 | -24.2 | 0 | 0 | 0 | 0 | 108.8 | L619 M620 Y621 I685 L686 | L619-T702 PolarHBondContact O-N 3.15Å; M620-T702 CarbonylContact C-O 3.59Å; M620-T702 VanDerWaalsContact CA-O 3.24Å; M620-T702 WeakPolarHBondContact CA-O 3.3Å; Y621-T702 PolarHBondContact N-O 2.84Å; I685-T702 HydrophobicContact CG2-CG2 3.48Å; I685-T702 VanDerWaalsContact CG2-CG2 3.48Å; L686-T702 CarbonylContact O-C 3.57Å; L686-T702 WeakPolarHBondContact O-CA 3.38Å |
| 703 | V | 92.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 107.9 | 172.1 | 179.6 | 0 | 0 | 0 | 0 | 108 | Y621 L623 L636 L638 L670 L686 V688 I705 | Y621-V703 HydrophobicContact CD2-CG2 4.26Å; Y621-V703 CarbonylContact O-C 3.52Å; Y621-V703 WeakPolarHBondContact O-CA 3.47Å; L623-V703 HydrophobicContact CD2-CG1 3.61Å; L636-V703 HydrophobicContact CD1-CG1 3.68Å; L636-V703 HydrophobicContact CD1-CG2 4.43Å; L638-V703 HydrophobicContact CD1-CG2 4.21Å; L638-V703 HydrophobicContact CD2-CG2 4Å; L670-V703 HydrophobicContact CD2-CG1 4.11Å; L686-V703 HydrophobicContact CB-CB 4.19Å; L686-V703 PolarHBondContact N-O 3.36Å; L686-V703 PolarHBondContact O-N 2.97Å; V688-V703 HydrophobicContact CG2-CB 4.07Å; V688-V703 HydrophobicContact CG2-CG2 3.4Å; V688-V703 VanDerWaalsContact CG2-CG2 3.4Å; V703-I705 HydrophobicContact CG1-CD1 4.34Å; V703-I705 HydrophobicContact CG1-CG1 3.88Å |
| 704 | N | 92.4 | Very high | 86.8 | Confident | 30 Ų | 30 | 50.6 Ų | 50.6 | 16% | 0.16 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 107.1 | 176.1 | -176.5 | 40.1 | 0 | 0 | 0 | 109.4 | Y621 S622 L623 R683 | Y621-N704 PolarHBondContact O-N 2.67Å; S622-N704 WeakPolarHBondContact CA-O 3.4Å; S622-N704 PolarHBondContact OG-ND2 3.5Å; L623-N704 PolarHBondContact N-O 2.88Å; R683-N704 WeakPolarHBondContact CD-OD1 2.92Å; R683-N704 WeakPolarHBondContact CG-OD1 3.43Å |
| 705 | I | 92.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 110.4 | 176.8 | -52.5 | 176.6 | 0 | 0 | 0 | 107.2 | L623 V625 L635 F661 L670 R683 Y684 L686 V703 | L623-I705 HydrophobicContact CD2-CB 4.48Å; L623-I705 HydrophobicContact CD2-CG1 3.74Å; L623-I705 HydrophobicContact CG-CG1 4.24Å; V625-I705 HydrophobicContact CB-CG2 4.11Å; V625-I705 HydrophobicContact CG2-CG2 3.71Å; L635-I705 HydrophobicContact CD1-CD1 4.42Å; F661-I705 HydrophobicContact CD1-CD1 3.85Å; F661-I705 HydrophobicContact CD2-CD1 4.32Å; F661-I705 HydrophobicContact CE1-CD1 3.41Å; F661-I705 VanDerWaalsContact CE1-CD1 3.41Å; F661-I705 HydrophobicContact CE1-CG2 4.47Å; F661-I705 HydrophobicContact CE2-CD1 3.94Å; F661-I705 HydrophobicContact CG-CD1 4.29Å; F661-I705 HydrophobicContact CZ-CD1 3.46Å; F661-I705 VanDerWaalsContact CZ-CD1 3.46Å; F661-I705 HydrophobicContact CZ-CG2 4.28Å; L670-I705 HydrophobicContact CD2-CD1 4.12Å; R683-I705 WeakPolarHBondContact CA-O 3.37Å; Y684-I705 PolarHBondContact N-O 2.94Å; Y684-I705 PolarHBondContact O-N 2.64Å; L686-I705 HydrophobicContact CD1-CD1 3.69Å; L686-I705 HydrophobicContact CG-CD1 4.3Å; V703-I705 HydrophobicContact CG1-CD1 4.34Å; V703-I705 HydrophobicContact CG1-CG1 3.88Å |
| 706 | V | 92.2 | Very high | 89.1 | Confident | 49 Ų | 49 | 41.3 Ų | 41.3 | 30% | 0.297 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.7 | 171 | 179.8 | 0 | 0 | 0 | 0 | 107.4 | L623 E624 V625 | L623-V706 PolarHBondContact O-N 3.36Å; E624-V706 CarbonylContact C-O 3.57Å; E624-V706 WeakPolarHBondContact CA-O 3.46Å; E624-V706 HydrophobicContact CG-CB 4.32Å; V625-V706 PolarHBondContact N-O 2.8Å |
| 707 | V | 92.7 | Very high | 90.3 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.036 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 117.7 | 177.6 | -174.9 | 0 | 0 | 0 | 0 | 108 | V625 E627 L676 R678 D682 Y684 | V625-V707 CarbonylContact O-C 3.52Å; V625-V707 VanDerWaalsContact O-CA 3.25Å; V625-V707 WeakPolarHBondContact O-CA 3.46Å; E627-V707 HydrophobicContact CB-CG1 3.76Å; L676-V707 HydrophobicContact CB-CG1 4.32Å; L676-V707 HydrophobicContact CD1-CG1 4.36Å; L676-V707 HydrophobicContact CD1-CG2 4.32Å; L676-V707 HydrophobicContact CD2-CG2 4.49Å; R678-V707 HydrophobicContact CB-CB 4.39Å; R678-V707 HydrophobicContact CB-CG1 3.8Å; R678-V707 HydrophobicContact CG-CB 4.07Å; R678-V707 HydrophobicContact CG-CG1 3.99Å; D682-V707 WeakPolarHBondContact O-CB 3.39Å; D682-V707 PolarHBondContact O-N 3.27Å; Y684-V707 HydrophobicContact CD2-CG2 4.05Å; Y684-V707 HydrophobicContact CE2-CG2 4Å |
| 708 | T | 91.2 | Very high | 91.1 | Very high | 46 Ų | 46 | 38 Ų | 38 | 28% | 0.282 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 133 | 178.6 | 63.4 | 0 | 0 | 0 | 0 | 110.2 | E624 V625 S626 E627 | E624-T708 HydrophobicContact CB-CG2 3.65Å; E624-T708 HydrophobicContact CG-CG2 3.92Å; V625-T708 PolarHBondContact O-N 3.32Å; S626-T708 WeakPolarHBondContact CA-O 3.28Å; S626-T708 WeakPolarHBondContact CA-OG1 3.44Å; S626-T708 PolarHBondContact N-OG1 2.78Å; E627-T708 PolarHBondContact N-O 3.13Å; E627-T708 VanDerWaalsContact N-O 3.13Å |
| 709 | D | 92.6 | Very high | 91.4 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 17% | 0.171 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 145.9 | -177.3 | -173.1 | 87.6 | 0 | 0 | 0 | 113.8 | R678 A746 N749 | R678-D709 IonicContact CZ-OD1 3.28Å; R678-D709 IonicContact NE-OD1 3.42Å; R678-D709 PolarHBondContact NE-OD1 2.97Å; R678-D709 IonicContact NH2-OD1 3.21Å; R678-D709 PolarHBondContact NH2-OD1 3.46Å; D709-A746 HydrophobicContact CB-CB 3.84Å; D709-A746 VanDerWaalsContact CG-N 3.27Å; D709-A746 PolarHBondContact OD1-N 3.36Å; D709-A746 PolarHBondContact OD2-N 3.15Å; D709-N749 WeakPolarHBondContact OD2-CB 3.28Å; D709-N749 PolarHBondContact OD2-ND2 3.36Å |
| 710 | V | 90.4 | Very high | 91.6 | Very high | 46 Ų | 46 | 48.1 Ų | 48.1 | 28% | 0.279 | 27% | 0.265 | S | S | . | . | trans | -132.6 | 132 | 172.4 | 176 | 0 | 0 | 0 | 0 | 107.3 | S626 E627 A628 D712 | S626-V710 VanDerWaalsContact OG-CG2 3.25Å; S626-V710 WeakPolarHBondContact OG-CG2 3.44Å; E627-V710 HydrophobicContact CG-CB 4.01Å; E627-V710 HydrophobicContact CG-CG2 4.02Å; E627-V710 PolarHBondContact OE1-N 3.19Å; A628-V710 HydrophobicContact CB-CG1 4.42Å; A628-V710 HydrophobicContact CB-CG2 3.91Å; V710-D712 VanDerWaalsContact C-N 3.31Å; V710-D712 PolarHBondContact O-N 2.97Å | ||
| 711 | N | 92.7 | Very high | 91.6 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | trans | -66.3 | 84.9 | 177.9 | -174.3 | 3.4 | 0 | 0 | 0 | 112.4 | N713 D745 N749 D793 A795 R799 | N711-N713 PolarHBondContact OD1-O 2.9Å; N711-D745 WeakPolarHBondContact CA-OD2 3.45Å; N711-D745 PolarHBondContact OD1-OD2 3.49Å; N711-N749 HydrophobicContact CB-CB 3.96Å; N711-D793 VanDerWaalsContact ND2-CG 3.27Å; N711-D793 PolarHBondContact ND2-OD1 3.06Å; N711-D793 PolarHBondContact ND2-OD2 3Å; N711-D793 PolarHBondContact OD1-OD2 2.91Å; N711-A795 HydrophobicContact CB-CB 4.24Å; N711-A795 WeakPolarHBondContact ND2-CB 3.42Å; N711-R799 WeakPolarHBondContact OD1-CD 3.26Å | ||
| 712 | D | 90.6 | Very high | 91.6 | Very high | 81 Ų | 81 | 49.8 Ų | 49.8 | 43% | 0.433 | 27% | 0.274 | S | S | . | . | trans | -114.4 | -14.8 | 179.2 | 81.3 | -16.3 | 0 | 0 | 0 | 113.6 | V710 D745 R799 | V710-D712 VanDerWaalsContact C-N 3.31Å; V710-D712 PolarHBondContact O-N 2.97Å; D712-D745 PolarHBondContact N-OD2 3.32Å; D712-R799 PolarHBondContact O-NH2 2.87Å | ||
| 713 | N | 92.6 | Very high | 91.6 | Very high | 53 Ų | 53 | 54.2 Ų | 54.2 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -90.4 | 174.8 | 169.6 | -64.8 | -72.9 | 0 | 0 | 0 | 111.3 | N711 P744 D745 R799 | N711-N713 PolarHBondContact OD1-O 2.9Å; N713-P744 HydrophobicContact CB-CG 3.66Å; N713-D745 WeakPolarHBondContact CB-OD1 3.26Å; N713-D745 PolarHBondContact N-OD2 2.86Å; N713-D745 PolarHBondContact ND2-OD1 2.89Å; N713-R799 WeakPolarHBondContact O-CD 3.48Å; N713-R799 PolarHBondContact O-NE 3.25Å |
| 714 | A | 92.3 | Very high | 91.6 | Very high | 29 Ų | 29 | 60.1 Ų | 60.1 | 24% | 0.24 | 32% | 0.318 | C | S | . | . | trans | -140.6 | 151.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | V716 D743 R799 | A714-V716 VanDerWaalsContact O-CG2 3.32Å; A714-V716 WeakPolarHBondContact O-CG2 3.47Å; A714-V716 PolarHBondContact O-N 3.19Å; A714-D743 WeakPolarHBondContact CA-OD2 3.32Å; A714-R799 HydrophobicContact CB-CB 3.79Å | ||
| 715 | P | 95.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | trans | -59.4 | 130.4 | -176.5 | -25.4 | 33.2 | 0 | 0 | 0 | 110.7 | A741 D743 V752 A791 D793 S801 | P715-A741 HydrophobicContact CB-CB 4.37Å; P715-D743 HydrophobicContact CB-CB 4.41Å; P715-D743 WeakPolarHBondContact CD-OD2 3.36Å; P715-D743 HydrophobicContact CG-CB 4.26Å; P715-D743 WeakPolarHBondContact CG-OD2 3.43Å; P715-V752 HydrophobicContact CB-CG1 4.28Å; P715-V752 HydrophobicContact CB-CG2 4.05Å; P715-V752 HydrophobicContact CG-CG2 4.3Å; P715-A791 HydrophobicContact CB-CB 3.98Å; P715-D793 HydrophobicContact CG-CB 4.13Å; P715-S801 WeakPolarHBondContact O-CB 3.32Å; P715-S801 PolarHBondContact O-OG 3.06Å | ||
| 716 | V | 93.7 | Very high | 91.7 | Very high | 92 Ų | 92 | 62.9 Ų | 62.9 | 56% | 0.558 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.2 | 179.7 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | A714 A741 T742 | A714-V716 VanDerWaalsContact O-CG2 3.32Å; A714-V716 WeakPolarHBondContact O-CG2 3.47Å; A714-V716 PolarHBondContact O-N 3.19Å; V716-A741 CarbonylContact O-C 3.5Å; V716-A741 WeakPolarHBondContact O-CA 3.49Å; V716-T742 PolarHBondContact N-O 3.46Å; V716-T742 PolarHBondContact O-N 2.92Å |
| 717 | F | 93.9 | Very high | 91.7 | Very high | 21 Ų | 21 | 60.9 Ų | 60.9 | 9% | 0.092 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 142.1 | 172.1 | -74.1 | -77.5 | 0 | 0 | 0 | 111.6 | P719 L721 V739 R740 A741 Y754 V789 A791 S801 L803 | F717-P719 WeakPolarHBondContact O-CD 3.48Å; F717-L721 HydrophobicContact CB-CD1 4.48Å; F717-L721 HydrophobicContact CD1-CD1 4.4Å; F717-V739 HydrophobicContact CD1-CB 4.22Å; F717-V739 HydrophobicContact CE1-CB 3.99Å; F717-V739 HydrophobicContact CE1-CG2 3.99Å; F717-R740 WeakPolarHBondContact CA-O 3.3Å; F717-A741 HydrophobicContact CD1-CB 3.83Å; F717-A741 HydrophobicContact CE1-CB 4.09Å; F717-A741 HydrophobicContact CG-CB 4.14Å; F717-Y754 HydrophobicContact CE1-CD1 4.31Å; F717-Y754 HydrophobicContact CE1-CE1 4.1Å; F717-V789 HydrophobicContact CE1-CG1 4.35Å; F717-V789 HydrophobicContact CZ-CB 4.43Å; F717-V789 HydrophobicContact CZ-CG1 4.13Å; F717-A791 HydrophobicContact CE1-CB 4.04Å; F717-A791 HydrophobicContact CE2-CB 3.69Å; F717-A791 HydrophobicContact CZ-CB 3.41Å; F717-A791 VanDerWaalsContact CZ-CB 3.41Å; F717-S801 WeakPolarHBondContact CD2-OG 3.15Å; F717-S801 WeakPolarHBondContact CE2-OG 3.08Å; F717-L803 HydrophobicContact CB-CD2 4.46Å; F717-L803 HydrophobicContact CD1-CB 4.33Å; F717-L803 HydrophobicContact CD1-CD2 4.01Å; F717-L803 HydrophobicContact CD2-CB 3.76Å; F717-L803 HydrophobicContact CE1-CB 4.38Å; F717-L803 HydrophobicContact CE1-CD2 4.45Å; F717-L803 HydrophobicContact CE2-CB 3.8Å; F717-L803 HydrophobicContact CG-CB 4.03Å; F717-L803 HydrophobicContact CG-CD2 4.16Å; F717-L803 HydrophobicContact CZ-CB 4.12Å |
| 718 | D | 90.9 | Very high | 91.7 | Very high | 65 Ų | 65 | 63 Ų | 63 | 35% | 0.348 | 34% | 0.338 | S | S | . | . | trans | -59 | 120.9 | 174.9 | 178.7 | -9.6 | 0 | 0 | 0 | 110.3 | Y720 L721 R740 | D718-Y720 PolarHBondContact O-N 3.47Å; D718-Y720 VanDerWaalsContact O-N 3.15Å; D718-Y720 WeakPolarHBondContact OD1-CD2 3.28Å; D718-Y720 PolarHBondContact OD1-N 3.21Å; D718-L721 HydrophobicContact CB-CD1 4.01Å; D718-L721 HydrophobicContact CB-CG 3.89Å; D718-L721 WeakPolarHBondContact O-CD1 3.4Å; D718-L721 VanDerWaalsContact O-CG 3.31Å; D718-L721 WeakPolarHBondContact O-CG 3.48Å; D718-L721 PolarHBondContact O-N 3.42Å; D718-R740 PolarHBondContact N-O 3.13Å | ||
| 719 | P | 87.6 | Confident | 91.8 | Very high | 98 Ų | 98 | 60.8 Ų | 60.8 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16 | -176 | 26.6 | -35.2 | 0 | 0 | 0 | 113.8 | F717 | F717-P719 WeakPolarHBondContact O-CD 3.48Š|
| 720 | Y | 89.2 | Confident | 91.6 | Very high | 210 Ų | 210 | 62.2 Ų | 62.2 | 82% | 0.824 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 3.7 | -178.4 | -57.6 | -72.5 | 0 | 0 | 0 | 114 | D718 | D718-Y720 PolarHBondContact O-N 3.47Å; D718-Y720 VanDerWaalsContact O-N 3.15Å; D718-Y720 WeakPolarHBondContact OD1-CD2 3.28Å; D718-Y720 PolarHBondContact OD1-N 3.21Å |
| 721 | L | 88.5 | Confident | 91.5 | Very high | 31 Ų | 31 | 65 Ų | 65 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -64.5 | 138.6 | 178.1 | -68.2 | 166.6 | 0 | 0 | 0 | 112.1 | F717 D718 R723 V739 L803 | F717-L721 HydrophobicContact CB-CD1 4.48Å; F717-L721 HydrophobicContact CD1-CD1 4.4Å; D718-L721 HydrophobicContact CB-CD1 4.01Å; D718-L721 HydrophobicContact CB-CG 3.89Å; D718-L721 WeakPolarHBondContact O-CD1 3.4Å; D718-L721 VanDerWaalsContact O-CG 3.31Å; D718-L721 WeakPolarHBondContact O-CG 3.48Å; D718-L721 PolarHBondContact O-N 3.42Å; L721-R723 PolarHBondContact O-N 2.84Å; L721-V739 HydrophobicContact CD1-CB 4.28Å; L721-L803 HydrophobicContact CD1-CD2 4.2Å |
| 722 | P | 89.2 | Confident | 91.3 | Very high | 81 Ų | 81 | 65.7 Ų | 65.7 | 53% | 0.526 | 35% | 0.35 | S | S | . | . | trans | -66.1 | 122.5 | 173.6 | 26.4 | -31.6 | 0 | 0 | 0 | 110.3 | L725 | P722-L725 HydrophobicContact CB-CD2 4.16Å; P722-L725 HydrophobicContact CG-CD2 3.97Å | ||
| 723 | R | 89.9 | Confident | 91.4 | Very high | 137 Ų | 137 | 65.9 Ų | 65.9 | 52% | 0.517 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -86.7 | -20.5 | 178.3 | -64.4 | -179.2 | -177.6 | -106.2 | -2.9 | 113.5 | L721 L803 L805 Y806 | L721-R723 PolarHBondContact O-N 2.84Å; R723-L803 VanDerWaalsContact NH1-CD1 3.34Å; R723-L805 CarbonylContact O-C 3.55Å; R723-L805 WeakPolarHBondContact O-CA 3.31Å; R723-Y806 PolarHBondContact O-N 2.87Å |
| 724 | N | 93.1 | Very high | 91.3 | Very high | 125 Ų | 125 | 63.8 Ų | 63.8 | 67% | 0.668 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 112.6 | 177 | -63.5 | -13.7 | 0 | 0 | 0 | 108 | Y806 | N724-Y806 CarbonylContact C-O 3.24Å; N724-Y806 VanDerWaalsContact CA-O 3.32Å; N724-Y806 WeakPolarHBondContact CA-O 3.41Å |
| 725 | L | 93.8 | Very high | 91.3 | Very high | 25 Ų | 25 | 67.9 Ų | 67.9 | 13% | 0.131 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 163.6 | 178.9 | -57.6 | 177.6 | 0 | 0 | 0 | 109 | P722 V736 L805 Y806 I807 K808 | P722-L725 HydrophobicContact CB-CD2 4.16Å; P722-L725 HydrophobicContact CG-CD2 3.97Å; L725-V736 HydrophobicContact CB-CG1 4.09Å; L725-V736 HydrophobicContact CD1-CG1 4.13Å; L725-L805 HydrophobicContact CD1-CD1 3.97Å; L725-Y806 PolarHBondContact N-O 2.65Å; L725-I807 HydrophobicContact CB-CG1 4.37Å; L725-I807 CarbonylContact O-C 3.57Å; L725-I807 WeakPolarHBondContact O-CA 3.38Å; L725-K808 PolarHBondContact O-N 3.06Å |
| 726 | S | 92.6 | Very high | 91.1 | Very high | 63 Ų | 63 | 68.2 Ų | 68.2 | 44% | 0.441 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 145.4 | 174.2 | 57.2 | 0 | 0 | 0 | 0 | 110.7 | K808 | S726-K808 CarbonylContact C-O 3.53Å; S726-K808 WeakPolarHBondContact CA-O 3.32Å |
| 727 | V | 93.4 | Very high | 91 | Very high | 6 Ų | 6 | 64.2 Ų | 64.2 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 143 | 177.1 | 66.6 | 0 | 0 | 0 | 0 | 109 | A734 V736 T773 L777 I807 K808 V809 L810 | V727-A734 HydrophobicContact CG2-CB 3.74Å; V727-V736 HydrophobicContact CB-CG2 4.17Å; V727-V736 HydrophobicContact CG2-CG2 4.05Å; V727-T773 HydrophobicContact CG2-CG2 3.9Å; V727-L777 HydrophobicContact CG1-CD1 3.8Å; V727-I807 HydrophobicContact CG1-CG2 3.83Å; V727-K808 PolarHBondContact N-O 3Å; V727-V809 CarbonylContact O-C 3.25Å; V727-V809 WeakPolarHBondContact O-CA 3.28Å; V727-L810 PolarHBondContact O-N 2.63Å |
| 728 | V | 92.3 | Very high | 90.9 | Very high | 51 Ų | 51 | 68 Ų | 68 | 31% | 0.309 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 140.7 | 174.5 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | L810 I812 | V728-L810 HydrophobicContact CG2-CD1 4.21Å; V728-I812 HydrophobicContact CG1-CG2 3.38Å |
| 729 | E | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 170.1 | 175.2 | 76 | -175.1 | 123.1 | 0 | 0 | 113.1 | E731 L777 R779 V809 L810 D811 I812 | E729-E731 PolarHBondContact O-N 2.86Å; E729-L777 WeakPolarHBondContact CA-O 3.19Å; E729-L777 VanDerWaalsContact CB-O 3.31Å; E729-L777 WeakPolarHBondContact CB-O 3.29Å; E729-R779 HydrophobicContact CB-CB 4.4Å; E729-R779 IonicContact OE1-NE 3.25Å; E729-R779 WeakPolarHBondContact OE2-CA 3.41Å; E729-R779 WeakPolarHBondContact OE2-CB 3.49Å; E729-R779 PolarHBondContact OE2-N 3.01Å; E729-V809 HydrophobicContact CB-CG1 3.63Å; E729-L810 PolarHBondContact N-O 3.15Å; E729-D811 WeakPolarHBondContact OE1-CA 3.12Å; E729-I812 HydrophobicContact CG-CB 4.32Å; E729-I812 HydrophobicContact CG-CD1 3.79Å; E729-I812 HydrophobicContact CG-CG1 3.54Å; E729-I812 HydrophobicContact CG-CG2 4.25Å; E729-I812 PolarHBondContact OE1-N 2.93Å |
| 730 | E | 88 | Confident | 91.2 | Very high | 61 Ų | 61 | 68.1 Ų | 68.1 | 29% | 0.285 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 7.7 | 179.5 | -65.3 | -58.5 | 130.7 | 0 | 0 | 116.6 | K776 L777 I812 | E730-K776 VanDerWaalsContact O-CD 3.28Å; E730-K776 WeakPolarHBondContact O-CD 3.47Å; E730-K776 WeakPolarHBondContact O-CE 3.1Å; E730-K776 WeakPolarHBondContact O-CG 3.49Å; E730-K776 WeakPolarHBondContact OE2-CD 3.43Å; E730-L777 PolarHBondContact N-O 2.86Å; E730-I812 HydrophobicContact CB-CD1 3.78Å; E730-I812 HydrophobicContact CG-CD1 4.09Å |
| 731 | E | 88.4 | Confident | 91.4 | Very high | 105 Ų | 105 | 58.4 Ų | 58.4 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | trans | -104.4 | 112.7 | 173.4 | -66.2 | -169 | 171.9 | 0 | 0 | 112.2 | E729 A734 T773 | E729-E731 PolarHBondContact O-N 2.86Å; E731-A734 HydrophobicContact CB-CB 3.79Å; E731-T773 PolarHBondContact O-OG1 2.85Å | ||
| 732 | A | 89 | Confident | 91.6 | Very high | 44 Ų | 44 | 60.8 Ų | 60.8 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 147.5 | 167 | 0 | 0 | 0 | 0 | 0 | 109.9 | A734 K776 | A732-A734 PolarHBondContact O-N 2.93Å; A732-K776 HydrophobicContact CB-CG 3.91Å |
| 733 | N | 90.8 | Very high | 91.8 | Very high | 85 Ų | 85 | 57.8 Ų | 57.8 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 21.6 | -176.4 | -58.9 | -52.7 | 0 | 0 | 0 | 114.4 | R764 Y772 T773 | N733-R764 PolarHBondContact OD1-NE 3.17Å; N733-R764 PolarHBondContact OD1-NH2 3Å; N733-Y772 WeakPolarHBondContact O-CD1 3.37Å; N733-T773 WeakPolarHBondContact CA-O 3.42Å; N733-T773 PolarHBondContact N-O 3.47Å; N733-T773 PolarHBondContact N-OG1 2.89Å; N733-T773 VanDerWaalsContact N-OG1 3.16Å |
| 734 | A | 90.6 | Very high | 91.9 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | trans | -70.3 | 136 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | V727 E731 A732 V736 Y772 T773 | V727-A734 HydrophobicContact CG2-CB 3.74Å; E731-A734 HydrophobicContact CB-CB 3.79Å; A732-A734 PolarHBondContact O-N 2.93Å; A734-V736 PolarHBondContact O-N 3.1Å; A734-Y772 CarbonylContact O-C 3.6Å; A734-Y772 WeakPolarHBondContact O-CA 3.28Å; A734-T773 HydrophobicContact CB-CG2 4.43Å; A734-T773 PolarHBondContact N-OG1 3.45Å; A734-T773 PolarHBondContact O-N 3.08Å | ||
| 735 | F | 92.9 | Very high | 92 | Very high | 114 Ų | 114 | 49.1 Ų | 49.1 | 50% | 0.5 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 118.2 | 176.8 | 178.1 | -109.3 | 0 | 0 | 0 | 110.3 | G737 Q738 Y772 | F735-G737 WeakPolarHBondContact CE2-O 3.16Å; F735-G737 VanDerWaalsContact CZ-C 3.46Å; F735-Q738 HydrophobicContact CE2-CB 4.31Å; F735-Q738 HydrophobicContact CZ-CB 4.09Å; F735-Y772 HydrophobicContact CB-CD1 4.1Å; F735-Y772 HydrophobicContact CB-CE1 3.81Å; F735-Y772 HydrophobicContact CD2-CD1 4.31Å; F735-Y772 AromaticContact CD2-CE1 3.7Å; F735-Y772 HydrophobicContact CD2-CE1 3.7Å; F735-Y772 AromaticContact CD2-CZ 3.81Å; F735-Y772 HydrophobicContact CG-CE1 4.23Å |
| 736 | V | 91.2 | Very high | 91.7 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.055 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -41.7 | -179.9 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | L725 V727 A734 F763 I771 T773 I807 | L725-V736 HydrophobicContact CB-CG1 4.09Å; L725-V736 HydrophobicContact CD1-CG1 4.13Å; V727-V736 HydrophobicContact CB-CG2 4.17Å; V727-V736 HydrophobicContact CG2-CG2 4.05Å; A734-V736 PolarHBondContact O-N 3.1Å; V736-F763 HydrophobicContact CG2-CD1 4.16Å; V736-F763 HydrophobicContact CG2-CE1 4.09Å; V736-I771 HydrophobicContact CB-CB 4.42Å; V736-I771 HydrophobicContact CB-CG2 4.17Å; V736-I771 HydrophobicContact CG2-CG2 4.41Å; V736-I771 PolarHBondContact N-O 3.25Å; V736-T773 HydrophobicContact CG2-CG2 4.04Å; V736-I807 HydrophobicContact CG1-CD1 3.9Å; V736-I807 HydrophobicContact CG1-CG1 3.96Å; V736-I807 HydrophobicContact CG1-CG2 3.88Å |
| 737 | G | 91.5 | Very high | 91.6 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167 | 179.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | F735 I771 | F735-G737 WeakPolarHBondContact CE2-O 3.16Å; F735-G737 VanDerWaalsContact CZ-C 3.46Å; G737-I771 PolarHBondContact O-N 3.21Å |
| 738 | Q | 92.4 | Very high | 91.4 | Very high | 101 Ų | 101 | 54.3 Ų | 54.3 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135 | -179.7 | -174.3 | 173.8 | 20.2 | 0 | 0 | 110.1 | F735 N768 G769 | F735-Q738 HydrophobicContact CE2-CB 4.31Å; F735-Q738 HydrophobicContact CZ-CB 4.09Å; Q738-N768 PolarHBondContact NE2-O 3.25Å; Q738-G769 WeakPolarHBondContact CA-O 3.45Å |
| 739 | V | 92.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | trans | -104.6 | 154 | 171.2 | -63.6 | 0 | 0 | 0 | 0 | 110.3 | F717 L721 Y754 I765 G769 I771 V789 L803 L805 | F717-V739 HydrophobicContact CD1-CB 4.22Å; F717-V739 HydrophobicContact CE1-CB 3.99Å; F717-V739 HydrophobicContact CE1-CG2 3.99Å; L721-V739 HydrophobicContact CD1-CB 4.28Å; V739-Y754 HydrophobicContact CG2-CD1 3.95Å; V739-Y754 HydrophobicContact CG2-CE1 4.04Å; V739-I765 HydrophobicContact CG2-CD1 3.98Å; V739-G769 WeakPolarHBondContact CG2-O 3.48Å; V739-G769 PolarHBondContact N-O 2.88Å; V739-I771 HydrophobicContact CG1-CD1 4.22Å; V739-V789 HydrophobicContact CG2-CG1 3.92Å; V739-L803 HydrophobicContact CG1-CD2 3.93Å; V739-L805 HydrophobicContact CG1-CD1 3.9Å | ||
| 740 | R | 93 | Very high | 91 | Very high | 161 Ų | 161 | 54.2 Ų | 54.2 | 61% | 0.608 | 31% | 0.305 | S | S | * | . | trans | -137.6 | 126.4 | 173.9 | -174.8 | 179.4 | 178 | -176.3 | -0.1 | 109.5 | F717 D718 | F717-R740 WeakPolarHBondContact CA-O 3.3Å; D718-R740 PolarHBondContact N-O 3.13Å | ||
| 741 | A | 93.1 | Very high | 91.2 | Very high | 7 Ų | 7 | 56 Ų | 56 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 151.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P715 V716 F717 V752 Y754 A791 | P715-A741 HydrophobicContact CB-CB 4.37Å; V716-A741 CarbonylContact O-C 3.5Å; V716-A741 WeakPolarHBondContact O-CA 3.49Å; F717-A741 HydrophobicContact CD1-CB 3.83Å; F717-A741 HydrophobicContact CE1-CB 4.09Å; F717-A741 HydrophobicContact CG-CB 4.14Å; A741-V752 HydrophobicContact CB-CG1 4.14Å; A741-Y754 HydrophobicContact CB-CE1 4.02Å; A741-Y754 PolarHBondContact N-OH 2.74Å; A741-Y754 PolarHBondContact O-OH 3.19Å; A741-A791 HydrophobicContact CB-CB 3.81Å |
| 742 | T | 91.8 | Very high | 91.3 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 138 | 177.4 | 52.8 | 0 | 0 | 0 | 0 | 109.4 | V716 | V716-T742 PolarHBondContact N-O 3.46Å; V716-T742 PolarHBondContact O-N 2.92Å |
| 743 | D | 94.2 | Very high | 91.5 | Very high | 18 Ų | 18 | 54.4 Ų | 54.4 | 10% | 0.096 | 30% | 0.3 | C | S | . | . | trans | -119.3 | 125.7 | 172.3 | -163.8 | -49.3 | 0 | 0 | 0 | 107.8 | A714 P715 D745 V752 | A714-D743 WeakPolarHBondContact CA-OD2 3.32Å; P715-D743 HydrophobicContact CB-CB 4.41Å; P715-D743 WeakPolarHBondContact CD-OD2 3.36Å; P715-D743 HydrophobicContact CG-CB 4.26Å; P715-D743 WeakPolarHBondContact CG-OD2 3.43Å; D743-D745 VanDerWaalsContact C-N 3.28Å; D743-D745 WeakPolarHBondContact OD1-CB 3.45Å; D743-D745 PolarHBondContact OD1-N 2.8Å; D743-V752 HydrophobicContact CB-CG2 3.96Å | ||
| 744 | P | 92 | Very high | 91.7 | Very high | 69 Ų | 69 | 52.1 Ų | 52.1 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | trans | -77.4 | -9 | -176.7 | 34.6 | -38.7 | 0 | 0 | 0 | 114.2 | R678 E679 N713 | R678-P744 PolarHBondContact NH2-O 2.82Å; R678-P744 VanDerWaalsContact NH2-O 3.11Å; E679-P744 HydrophobicContact CG-CB 3.79Å; E679-P744 HydrophobicContact CG-CG 4.12Å; N713-P744 HydrophobicContact CB-CG 3.66Å | ||
| 745 | D | 94.5 | Very high | 91.9 | Very high | 11 Ų | 11 | 54 Ų | 54 | 6% | 0.059 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -67.2 | 167 | 179.8 | -65.9 | -9.2 | 0 | 0 | 0 | 112 | R678 N711 D712 N713 D743 N749 G750 | R678-D745 VanDerWaalsContact NH2-C 3.27Å; N711-D745 WeakPolarHBondContact CA-OD2 3.45Å; N711-D745 PolarHBondContact OD1-OD2 3.49Å; D712-D745 PolarHBondContact N-OD2 3.32Å; N713-D745 WeakPolarHBondContact CB-OD1 3.26Å; N713-D745 PolarHBondContact N-OD2 2.86Å; N713-D745 PolarHBondContact ND2-OD1 2.89Å; D743-D745 VanDerWaalsContact C-N 3.28Å; D743-D745 WeakPolarHBondContact OD1-CB 3.45Å; D743-D745 PolarHBondContact OD1-N 2.8Å; D745-N749 HydrophobicContact CB-CB 3.7Å; D745-G750 VanDerWaalsContact O-CA 3.23Å; D745-G750 WeakPolarHBondContact O-CA 3.41Å |
| 746 | A | 88.8 | Confident | 91.9 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | trans | -97.7 | 149.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D709 I748 N749 | D709-A746 HydrophobicContact CB-CB 3.84Å; D709-A746 VanDerWaalsContact CG-N 3.27Å; D709-A746 PolarHBondContact OD1-N 3.36Å; D709-A746 PolarHBondContact OD2-N 3.15Å; A746-I748 PolarHBondContact O-N 2.83Å; A746-N749 PolarHBondContact O-N 2.75Å | ||
| 747 | G | 89.1 | Confident | 91.9 | Very high | 65 Ų | 65 | 51.2 Ų | 51.2 | 67% | 0.67 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | -130.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | N749 G750 Q751 | G747-N749 VanDerWaalsContact C-N 3.26Å; G747-N749 PolarHBondContact O-N 3.14Å; G747-G750 PolarHBondContact O-N 3.12Å; G747-Q751 PolarHBondContact O-N 3.27Å |
| 748 | I | 88.8 | Confident | 92 | Very high | 98 Ų | 98 | 53.1 Ų | 53.1 | 50% | 0.503 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -24.4 | -175.8 | -138 | 169.9 | 0 | 0 | 0 | 112.7 | A746 G750 Q751 G794 | A746-I748 PolarHBondContact O-N 2.83Å; I748-G750 VanDerWaalsContact C-N 3.33Å; I748-Q751 PolarHBondContact O-N 3.05Å; I748-G794 WeakPolarHBondContact CG1-O 3.29Å; I748-G794 CarbonylContact O-C 3.59Å; I748-G794 VanDerWaalsContact O-CA 3.23Å; I748-G794 WeakPolarHBondContact O-CA 3.35Å; I748-G794 PolarHBondContact O-N 3.19Å |
| 749 | N | 89.6 | Confident | 92 | Very high | 32 Ų | 32 | 50.5 Ų | 50.5 | 17% | 0.171 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -71.8 | -30.6 | 176.5 | -61.2 | -18.9 | 0 | 0 | 0 | 111.1 | D709 N711 D745 A746 G747 D793 A795 | D709-N749 WeakPolarHBondContact OD2-CB 3.28Å; D709-N749 PolarHBondContact OD2-ND2 3.36Å; N711-N749 HydrophobicContact CB-CB 3.96Å; D745-N749 HydrophobicContact CB-CB 3.7Å; A746-N749 PolarHBondContact O-N 2.75Å; G747-N749 VanDerWaalsContact C-N 3.26Å; G747-N749 PolarHBondContact O-N 3.14Å; N749-D793 WeakPolarHBondContact O-CB 3.03Å; N749-A795 VanDerWaalsContact OD1-CB 3.28Å; N749-A795 WeakPolarHBondContact OD1-CB 3.42Å |
| 750 | G | 88.7 | Confident | 91.8 | Very high | 17 Ų | 17 | 55 Ų | 55 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -89.2 | -6.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D745 G747 I748 V752 | D745-G750 VanDerWaalsContact O-CA 3.23Å; D745-G750 WeakPolarHBondContact O-CA 3.41Å; G747-G750 PolarHBondContact O-N 3.12Å; I748-G750 VanDerWaalsContact C-N 3.33Å; G750-V752 PolarHBondContact O-N 3.07Å |
| 751 | Q | 91.1 | Very high | 91.7 | Very high | 99 Ų | 99 | 52.8 Ų | 52.8 | 46% | 0.463 | 32% | 0.32 | S | S | . | . | trans | -81.2 | 105.5 | -172.9 | -172.6 | 171.7 | 12.1 | 0 | 0 | 110.9 | G747 I748 D793 G794 | G747-Q751 PolarHBondContact O-N 3.27Å; I748-Q751 PolarHBondContact O-N 3.05Å; Q751-D793 CarbonylContact O-C 3.55Å; Q751-D793 WeakPolarHBondContact O-CA 3.36Å; Q751-G794 PolarHBondContact O-N 2.68Å; Q751-G794 VanDerWaalsContact O-N 3.07Å | ||
| 752 | V | 92.5 | Very high | 91.6 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 17% | 0.17 | 33% | 0.326 | C | S | . | . | trans | -80.4 | 126.9 | -177.7 | -176 | 0 | 0 | 0 | 0 | 111.7 | P715 A741 D743 G750 Y754 A791 | P715-V752 HydrophobicContact CB-CG1 4.28Å; P715-V752 HydrophobicContact CB-CG2 4.05Å; P715-V752 HydrophobicContact CG-CG2 4.3Å; A741-V752 HydrophobicContact CB-CG1 4.14Å; D743-V752 HydrophobicContact CB-CG2 3.96Å; G750-V752 PolarHBondContact O-N 3.07Å; V752-Y754 HydrophobicContact CG1-CD1 4.44Å; V752-Y754 HydrophobicContact CG1-CE1 3.96Å; V752-Y754 HydrophobicContact CG1-CE2 4.3Å; V752-A791 HydrophobicContact CG1-CB 3.94Å | ||
| 753 | H | 92.7 | Very high | 91.7 | Very high | 88 Ų | 88 | 50.3 Ų | 50.3 | 41% | 0.407 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 132 | 169.1 | -68.7 | -75.2 | 0 | 0 | 0 | 110.6 | A791 T792 | H753-A791 WeakPolarHBondContact O-CA 3.31Å; H753-T792 PolarHBondContact N-O 3.03Å; H753-T792 PolarHBondContact O-N 2.76Å; H753-T792 PolarHBondContact O-OG1 3.05Å |
| 754 | Y | 94.8 | Very high | 91.7 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 15% | 0.145 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 138.1 | 176.8 | -57.8 | -77.3 | 0 | 0 | 0 | 111 | F717 V739 A741 V752 I765 S767 V790 A791 | F717-Y754 HydrophobicContact CE1-CD1 4.31Å; F717-Y754 HydrophobicContact CE1-CE1 4.1Å; V739-Y754 HydrophobicContact CG2-CD1 3.95Å; V739-Y754 HydrophobicContact CG2-CE1 4.04Å; A741-Y754 HydrophobicContact CB-CE1 4.02Å; A741-Y754 PolarHBondContact N-OH 2.74Å; A741-Y754 PolarHBondContact O-OH 3.19Å; V752-Y754 HydrophobicContact CG1-CD1 4.44Å; V752-Y754 HydrophobicContact CG1-CE1 3.96Å; V752-Y754 HydrophobicContact CG1-CE2 4.3Å; Y754-I765 HydrophobicContact CG-CD1 4.32Å; Y754-S767 WeakPolarHBondContact CD2-O 3.22Å; Y754-V790 WeakPolarHBondContact CA-O 3.46Å; Y754-A791 HydrophobicContact CD1-CB 4.27Å; Y754-A791 HydrophobicContact CE1-CB 4.32Å |
| 755 | S | 93.7 | Very high | 91.8 | Very high | 50 Ų | 50 | 53.6 Ų | 53.6 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 159.8 | 172.1 | 57.9 | 0 | 0 | 0 | 0 | 111.1 | V790 | S755-V790 PolarHBondContact N-O 2.81Å; S755-V790 PolarHBondContact O-N 2.83Å |
| 756 | L | 94.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 7% | 0.068 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 129.7 | 174.4 | -62.1 | 179 | 0 | 0 | 0 | 109.2 | N760 F763 I765 L787 V789 | L756-N760 VanDerWaalsContact CB-OD1 3.26Å; L756-N760 WeakPolarHBondContact CB-OD1 3.04Å; L756-N760 PolarHBondContact O-ND2 2.87Å; L756-N760 VanDerWaalsContact O-ND2 3.1Å; L756-N760 PolarHBondContact O-OD1 2.82Å; L756-N760 VanDerWaalsContact O-OD1 3.06Å; L756-F763 VanDerWaalsContact CD1-C 3.49Å; L756-F763 HydrophobicContact CD1-CB 3.76Å; L756-F763 WeakPolarHBondContact CD1-O 3.43Å; L756-I765 HydrophobicContact CD1-CB 4.49Å; L756-I765 HydrophobicContact CD2-CB 4.03Å; L756-I765 HydrophobicContact CD2-CD1 4.34Å; L756-I765 HydrophobicContact CD2-CG2 4.15Å; L756-I765 HydrophobicContact CG-CB 4.05Å; L756-I765 HydrophobicContact CG-CG2 3.81Å; L756-L787 HydrophobicContact CD1-CD1 4.42Å; L756-L787 HydrophobicContact CD2-CD1 4.07Å; L756-L787 HydrophobicContact CD2-CD2 3.94Å; L756-L787 HydrophobicContact CD2-CG 4.1Å; L756-V789 HydrophobicContact CD2-CG2 4.06Å |
| 757 | G | 89.7 | Confident | 91.7 | Very high | 51 Ų | 51 | 59 Ų | 59 | 53% | 0.526 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -82.8 | -20.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V788 | G757-V788 PolarHBondContact N-O 3.05Š|
| 758 | N | 93.7 | Very high | 91.7 | Very high | 47 Ų | 47 | 60.2 Ų | 60.2 | 25% | 0.251 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -148.8 | 163.5 | 175.1 | 63.5 | -9.2 | 0 | 0 | 0 | 111.2 | N760 E786 L787 V788 | N758-N760 VanDerWaalsContact C-N 3.29Å; N758-N760 PolarHBondContact O-N 3.5Å; N758-N760 PolarHBondContact O-OD1 2.81Å; N758-E786 PolarHBondContact ND2-O 3.49Å; N758-L787 VanDerWaalsContact O-CD1 3.32Å; N758-L787 WeakPolarHBondContact O-CD1 3.44Å; N758-V788 PolarHBondContact OD1-N 2.9Å |
| 759 | F | 92.7 | Very high | 91.8 | Very high | 45 Ų | 45 | 55.5 Ų | 55.5 | 20% | 0.197 | 31% | 0.308 | C | S | . | . | trans | 58.6 | 30.2 | 177.3 | -52 | -66.1 | 0 | 0 | 0 | 115.6 | N761 L762 F763 Y785 E786 L787 | F759-N761 PolarHBondContact O-N 2.99Å; F759-L762 HydrophobicContact CB-CB 4.38Å; F759-L762 HydrophobicContact CD1-CD1 4.07Å; F759-L762 PolarHBondContact O-N 3.36Å; F759-F763 HydrophobicContact CB-CD2 3.77Å; F759-F763 HydrophobicContact CB-CE2 4.27Å; F759-F763 PolarHBondContact O-N 2.9Å; F759-Y785 HydrophobicContact CD1-CD1 4.21Å; F759-Y785 HydrophobicContact CD2-CD1 4.42Å; F759-Y785 HydrophobicContact CE1-CD1 4.1Å; F759-Y785 HydrophobicContact CE1-CE1 4.47Å; F759-Y785 HydrophobicContact CE2-CD1 4.3Å; F759-Y785 HydrophobicContact CG-CD1 4.38Å; F759-Y785 HydrophobicContact CZ-CD1 4.15Å; F759-E786 WeakPolarHBondContact CE2-O 3.14Å; F759-L787 HydrophobicContact CB-CD1 4.13Å; F759-L787 HydrophobicContact CD2-CD1 4.21Å | ||
| 760 | N | 89.1 | Confident | 92 | Very high | 100 Ų | 100 | 54.3 Ų | 54.3 | 54% | 0.535 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15.7 | 179.3 | -58.4 | 28.1 | 0 | 0 | 0 | 113.6 | L756 N758 F763 | L756-N760 VanDerWaalsContact CB-OD1 3.26Å; L756-N760 WeakPolarHBondContact CB-OD1 3.04Å; L756-N760 PolarHBondContact O-ND2 2.87Å; L756-N760 VanDerWaalsContact O-ND2 3.1Å; L756-N760 PolarHBondContact O-OD1 2.82Å; L756-N760 VanDerWaalsContact O-OD1 3.06Å; N758-N760 VanDerWaalsContact C-N 3.29Å; N758-N760 PolarHBondContact O-N 3.5Å; N758-N760 PolarHBondContact O-OD1 2.81Å; N760-F763 CarbonylContact C-O 3.54Å |
| 761 | N | 90.1 | Very high | 92.3 | Very high | 113 Ų | 113 | 53.5 Ų | 53.5 | 60% | 0.604 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -18.1 | 173.5 | 63.1 | -51.7 | 0 | 0 | 0 | 113.5 | F759 | F759-N761 PolarHBondContact O-N 2.99Š|
| 762 | L | 91.6 | Very high | 92.4 | Very high | 35 Ų | 35 | 51.8 Ų | 51.8 | 18% | 0.183 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -30.6 | -178.4 | -60.3 | 179.5 | 0 | 0 | 0 | 112.4 | F759 A774 L777 Y785 | F759-L762 HydrophobicContact CB-CB 4.38Å; F759-L762 HydrophobicContact CD1-CD1 4.07Å; F759-L762 PolarHBondContact O-N 3.36Å; L762-A774 PolarHBondContact O-N 3.25Å; L762-L777 HydrophobicContact CB-CD2 4.16Å; L762-L777 HydrophobicContact CD2-CD2 4.43Å; L762-Y785 HydrophobicContact CD1-CD1 4.28Å; L762-Y785 HydrophobicContact CD1-CE1 3.47Å; L762-Y785 VanDerWaalsContact CD1-CE1 3.47Å |
| 763 | F | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 152.8 | 178.8 | -59.6 | -83.6 | 0 | 0 | 0 | 110.1 | V736 L756 F759 N760 I771 Y772 T773 L777 Y785 L787 I807 | V736-F763 HydrophobicContact CG2-CD1 4.16Å; V736-F763 HydrophobicContact CG2-CE1 4.09Å; L756-F763 VanDerWaalsContact CD1-C 3.49Å; L756-F763 HydrophobicContact CD1-CB 3.76Å; L756-F763 WeakPolarHBondContact CD1-O 3.43Å; F759-F763 HydrophobicContact CB-CD2 3.77Å; F759-F763 HydrophobicContact CB-CE2 4.27Å; F759-F763 PolarHBondContact O-N 2.9Å; N760-F763 CarbonylContact C-O 3.54Å; F763-I771 HydrophobicContact CB-CG2 4.48Å; F763-I771 HydrophobicContact CD1-CG2 4.42Å; F763-Y772 CarbonylContact C-O 3.49Å; F763-Y772 VanDerWaalsContact CA-O 3.3Å; F763-Y772 WeakPolarHBondContact CA-O 3.4Å; F763-T773 HydrophobicContact CD1-CG2 4.25Å; F763-T773 HydrophobicContact CE1-CG2 4.01Å; F763-L777 HydrophobicContact CE1-CD1 3.88Å; F763-L777 HydrophobicContact CZ-CD1 3.7Å; F763-Y785 HydrophobicContact CE2-CD1 4.01Å; F763-Y785 HydrophobicContact CE2-CD2 4.25Å; F763-Y785 AromaticContact CE2-CG 3.84Å; F763-Y785 HydrophobicContact CE2-CG 3.84Å; F763-Y785 AromaticContact CZ-CD2 3.97Å; F763-Y785 HydrophobicContact CZ-CD2 3.97Å; F763-Y785 AromaticContact CZ-CG 3.98Å; F763-Y785 HydrophobicContact CZ-CG 3.98Å; F763-L787 HydrophobicContact CB-CD1 4.28Å; F763-L787 HydrophobicContact CB-CD2 4.33Å; F763-L787 HydrophobicContact CD2-CD1 3.91Å; F763-L787 HydrophobicContact CG-CD1 4.27Å; F763-L787 HydrophobicContact CG-CD2 4.25Å; F763-I807 HydrophobicContact CD1-CD1 4.34Å; F763-I807 HydrophobicContact CE1-CD1 3.83Å; F763-I807 HydrophobicContact CE2-CD1 4.39Å; F763-I807 HydrophobicContact CZ-CD1 3.86Å |
| 764 | R | 94 | Very high | 92.4 | Very high | 125 Ų | 125 | 48 Ų | 48 | 47% | 0.472 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 148.7 | 170.6 | 64.7 | -179 | -175.9 | 162 | 1.5 | 110.2 | N733 I771 Y772 | N733-R764 PolarHBondContact OD1-NE 3.17Å; N733-R764 PolarHBondContact OD1-NH2 3Å; R764-I771 WeakPolarHBondContact O-CA 3.43Å; R764-Y772 PolarHBondContact N-O 2.65Å; R764-Y772 PolarHBondContact O-N 3.04Å |
| 765 | I | 94.4 | Very high | 92.2 | Very high | 32 Ų | 32 | 50 Ų | 50 | 16% | 0.164 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.9 | 175.8 | -166.7 | 161.8 | 0 | 0 | 0 | 109.3 | V739 Y754 L756 S770 I771 V789 | V739-I765 HydrophobicContact CG2-CD1 3.98Å; Y754-I765 HydrophobicContact CG-CD1 4.32Å; L756-I765 HydrophobicContact CD1-CB 4.49Å; L756-I765 HydrophobicContact CD2-CB 4.03Å; L756-I765 HydrophobicContact CD2-CD1 4.34Å; L756-I765 HydrophobicContact CD2-CG2 4.15Å; L756-I765 HydrophobicContact CG-CB 4.05Å; L756-I765 HydrophobicContact CG-CG2 3.81Å; I765-S770 WeakPolarHBondContact CA-O 3.49Å; I765-I771 HydrophobicContact CD1-CD1 4.42Å; I765-I771 HydrophobicContact CD1-CG1 3.87Å; I765-I771 HydrophobicContact CG1-CG1 4.05Å; I765-V789 HydrophobicContact CD1-CG1 3.51Å |
| 766 | T | 92.6 | Very high | 92.1 | Very high | 48 Ų | 48 | 53.3 Ų | 53.3 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | trans | -90.5 | 165.8 | 179.1 | 52.7 | 0 | 0 | 0 | 0 | 110.8 | N768 G769 S770 Y772 | T766-N768 PolarHBondContact O-N 3.42Å; T766-N768 VanDerWaalsContact O-N 3.14Å; T766-N768 PolarHBondContact OG1-OD1 2.54Å; T766-G769 PolarHBondContact O-N 2.89Å; T766-S770 PolarHBondContact N-O 2.9Å; T766-S770 WeakPolarHBondContact OG1-CB 3.47Å; T766-S770 PolarHBondContact OG1-N 2.75Å; T766-S770 PolarHBondContact OG1-O 2.68Å; T766-Y772 HydrophobicContact CG2-CD2 4.1Å; T766-Y772 HydrophobicContact CG2-CE2 3.89Å | ||
| 767 | S | 87.4 | Confident | 92 | Very high | 114 Ų | 114 | 52.9 Ų | 52.9 | 80% | 0.797 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -22.8 | -179.9 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | Y754 G769 | Y754-S767 WeakPolarHBondContact CD2-O 3.22Å; S767-G769 VanDerWaalsContact C-N 3.34Å |
| 768 | N | 89.3 | Confident | 92.1 | Very high | 91 Ų | 91 | 52.9 Ų | 52.9 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 3.7 | 176.2 | 74.3 | 6.3 | 0 | 0 | 0 | 114 | Q738 T766 S770 | Q738-N768 PolarHBondContact NE2-O 3.25Å; T766-N768 PolarHBondContact O-N 3.42Å; T766-N768 VanDerWaalsContact O-N 3.14Å; T766-N768 PolarHBondContact OG1-OD1 2.54Å; N768-S770 VanDerWaalsContact OD1-CB 3.28Å; N768-S770 WeakPolarHBondContact OD1-CB 3.26Å; N768-S770 PolarHBondContact OD1-N 3.23Å; N768-S770 PolarHBondContact OD1-OG 2.9Å |
| 769 | G | 90.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 85.6 | 5.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q738 V739 T766 S767 | Q738-G769 WeakPolarHBondContact CA-O 3.45Å; V739-G769 WeakPolarHBondContact CG2-O 3.48Å; V739-G769 PolarHBondContact N-O 2.88Å; T766-G769 PolarHBondContact O-N 2.89Å; S767-G769 VanDerWaalsContact C-N 3.34Å |
| 770 | S | 93.9 | Very high | 92 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 132.8 | 174.6 | -68.8 | 0 | 0 | 0 | 0 | 111.5 | I765 T766 N768 | I765-S770 WeakPolarHBondContact CA-O 3.49Å; T766-S770 PolarHBondContact N-O 2.9Å; T766-S770 WeakPolarHBondContact OG1-CB 3.47Å; T766-S770 PolarHBondContact OG1-N 2.75Å; T766-S770 PolarHBondContact OG1-O 2.68Å; N768-S770 VanDerWaalsContact OD1-CB 3.28Å; N768-S770 WeakPolarHBondContact OD1-CB 3.26Å; N768-S770 PolarHBondContact OD1-N 3.23Å; N768-S770 PolarHBondContact OD1-OG 2.9Å |
| 771 | I | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.6 | -176 | -56.5 | 169.3 | 0 | 0 | 0 | 109 | V736 G737 V739 F763 R764 I765 L787 V789 L805 | V736-I771 HydrophobicContact CB-CB 4.42Å; V736-I771 HydrophobicContact CB-CG2 4.17Å; V736-I771 HydrophobicContact CG2-CG2 4.41Å; V736-I771 PolarHBondContact N-O 3.25Å; G737-I771 PolarHBondContact O-N 3.21Å; V739-I771 HydrophobicContact CG1-CD1 4.22Å; F763-I771 HydrophobicContact CB-CG2 4.48Å; F763-I771 HydrophobicContact CD1-CG2 4.42Å; R764-I771 WeakPolarHBondContact O-CA 3.43Å; I765-I771 HydrophobicContact CD1-CD1 4.42Å; I765-I771 HydrophobicContact CD1-CG1 3.87Å; I765-I771 HydrophobicContact CG1-CG1 4.05Å; I771-L787 HydrophobicContact CD1-CD2 4.17Å; I771-L787 HydrophobicContact CG2-CD2 3.78Å; I771-V789 HydrophobicContact CD1-CG2 3.85Å; I771-L805 HydrophobicContact CD1-CD1 3.51Å |
| 772 | Y | 94.8 | Very high | 92 | Very high | 63 Ų | 63 | 51.4 Ų | 51.4 | 25% | 0.247 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 155.1 | 178.7 | -60.6 | -91 | 0 | 0 | 0 | 110.9 | N733 A734 F735 F763 R764 T766 | N733-Y772 WeakPolarHBondContact O-CD1 3.37Å; A734-Y772 CarbonylContact O-C 3.6Å; A734-Y772 WeakPolarHBondContact O-CA 3.28Å; F735-Y772 HydrophobicContact CB-CD1 4.1Å; F735-Y772 HydrophobicContact CB-CE1 3.81Å; F735-Y772 HydrophobicContact CD2-CD1 4.31Å; F735-Y772 AromaticContact CD2-CE1 3.7Å; F735-Y772 HydrophobicContact CD2-CE1 3.7Å; F735-Y772 AromaticContact CD2-CZ 3.81Å; F735-Y772 HydrophobicContact CG-CE1 4.23Å; F763-Y772 CarbonylContact C-O 3.49Å; F763-Y772 VanDerWaalsContact CA-O 3.3Å; F763-Y772 WeakPolarHBondContact CA-O 3.4Å; R764-Y772 PolarHBondContact N-O 2.65Å; R764-Y772 PolarHBondContact O-N 3.04Å; T766-Y772 HydrophobicContact CG2-CD2 4.1Å; T766-Y772 HydrophobicContact CG2-CE2 3.89Å |
| 773 | T | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 134.2 | 163.8 | 55.9 | 0 | 0 | 0 | 0 | 109.4 | V727 E731 N733 A734 V736 F763 L777 | V727-T773 HydrophobicContact CG2-CG2 3.9Å; E731-T773 PolarHBondContact O-OG1 2.85Å; N733-T773 WeakPolarHBondContact CA-O 3.42Å; N733-T773 PolarHBondContact N-O 3.47Å; N733-T773 PolarHBondContact N-OG1 2.89Å; N733-T773 VanDerWaalsContact N-OG1 3.16Å; A734-T773 HydrophobicContact CB-CG2 4.43Å; A734-T773 PolarHBondContact N-OG1 3.45Å; A734-T773 PolarHBondContact O-N 3.08Å; V736-T773 HydrophobicContact CG2-CG2 4.04Å; F763-T773 HydrophobicContact CD1-CG2 4.25Å; F763-T773 HydrophobicContact CE1-CG2 4.01Å; T773-L777 HydrophobicContact CG2-CD1 3.78Å; T773-L777 HydrophobicContact CG2-CG 4Å |
| 774 | A | 90 | Very high | 91.9 | Very high | 38 Ų | 38 | 56.6 Ų | 56.6 | 31% | 0.314 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -88 | -31.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L762 | L762-A774 PolarHBondContact O-N 3.25Š|
| 775 | V | 90.9 | Very high | 91.9 | Very high | 77 Ų | 77 | 51.4 Ų | 51.4 | 47% | 0.467 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -130.2 | 154.4 | 179.2 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | L777 | V775-L777 PolarHBondContact O-N 3.36Š|
| 776 | K | 91.7 | Very high | 91.9 | Very high | 121 Ų | 121 | 55.2 Ų | 55.2 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | trans | -55.4 | 120.3 | 168.3 | -64.4 | -172.9 | 176.6 | -170.6 | 0 | 109.5 | E730 A732 | E730-K776 VanDerWaalsContact O-CD 3.28Å; E730-K776 WeakPolarHBondContact O-CD 3.47Å; E730-K776 WeakPolarHBondContact O-CE 3.1Å; E730-K776 WeakPolarHBondContact O-CG 3.49Å; E730-K776 WeakPolarHBondContact OE2-CD 3.43Å; A732-K776 HydrophobicContact CB-CG 3.91Å | ||
| 777 | L | 92.6 | Very high | 92 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | trans | -83.9 | 141.3 | 173.5 | -57.3 | -178.9 | 0 | 0 | 0 | 107.7 | V727 E729 E730 L762 F763 T773 V775 Y785 V809 | V727-L777 HydrophobicContact CG1-CD1 3.8Å; E729-L777 WeakPolarHBondContact CA-O 3.19Å; E729-L777 VanDerWaalsContact CB-O 3.31Å; E729-L777 WeakPolarHBondContact CB-O 3.29Å; E730-L777 PolarHBondContact N-O 2.86Å; L762-L777 HydrophobicContact CB-CD2 4.16Å; L762-L777 HydrophobicContact CD2-CD2 4.43Å; F763-L777 HydrophobicContact CE1-CD1 3.88Å; F763-L777 HydrophobicContact CZ-CD1 3.7Å; T773-L777 HydrophobicContact CG2-CD1 3.78Å; T773-L777 HydrophobicContact CG2-CG 4Å; V775-L777 PolarHBondContact O-N 3.36Å; L777-Y785 HydrophobicContact CD1-CD2 4.45Å; L777-Y785 HydrophobicContact CD1-CE2 4.07Å; L777-Y785 HydrophobicContact CD2-CE2 4.37Å; L777-V809 HydrophobicContact CD1-CG2 4.24Å | ||
| 778 | N | 92.2 | Very high | 92.3 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | trans | -113.5 | 124.7 | 171 | 171.5 | -74.9 | 0 | 0 | 0 | 108 | E780 A781 R782 | N778-E780 PolarHBondContact ND2-OE2 3Å; N778-E780 VanDerWaalsContact ND2-OE2 3.16Å; N778-E780 WeakPolarHBondContact OD1-CB 3.33Å; N778-E780 PolarHBondContact OD1-N 2.94Å; N778-E780 VanDerWaalsContact OD1-N 3.1Å; N778-E780 PolarHBondContact OD1-OE2 2.59Å; N778-A781 HydrophobicContact CB-CB 4.46Å; N778-A781 WeakPolarHBondContact OD1-CB 3.44Å; N778-A781 PolarHBondContact OD1-N 2.86Å; N778-R782 PolarHBondContact O-N 3.14Å | ||
| 779 | R | 93.1 | Very high | 92.6 | Very high | 27 Ų | 27 | 45 Ų | 45 | 10% | 0.102 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -36.3 | -174.6 | -173.3 | -161.2 | 64.5 | 77.4 | -7.4 | 111.4 | E729 A781 R782 D783 V809 D811 V846 | E729-R779 HydrophobicContact CB-CB 4.4Å; E729-R779 IonicContact OE1-NE 3.25Å; E729-R779 WeakPolarHBondContact OE2-CA 3.41Å; E729-R779 WeakPolarHBondContact OE2-CB 3.49Å; E729-R779 PolarHBondContact OE2-N 3.01Å; R779-A781 PolarHBondContact O-N 3.4Å; R779-R782 CarbonylContact O-C 3.56Å; R779-R782 PolarHBondContact O-N 3.11Å; R779-D783 HydrophobicContact CG-CB 3.87Å; R779-D783 PolarHBondContact O-N 2.86Å; R779-V809 HydrophobicContact CB-CB 4.26Å; R779-V809 HydrophobicContact CB-CG1 3.75Å; R779-V809 HydrophobicContact CG-CB 4.13Å; R779-V809 HydrophobicContact CG-CG1 4.11Å; R779-D811 IonicContact CZ-OD1 2.68Å; R779-D811 IonicContact NE-OD1 2.71Å; R779-D811 PolarHBondContact NE-OD1 3.4Å; R779-D811 IonicContact NH2-OD1 3.15Å; R779-D811 PolarHBondContact NH2-OD1 2.84Å; R779-V846 PolarHBondContact NH2-O 3.25Å |
| 780 | E | 90.5 | Very high | 92.8 | Very high | 56 Ų | 56 | 46.1 Ų | 46.1 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -33.4 | -179.6 | -66.9 | 56.7 | -107.3 | 0 | 0 | 110.4 | N778 V846 | N778-E780 PolarHBondContact ND2-OE2 3Å; N778-E780 VanDerWaalsContact ND2-OE2 3.16Å; N778-E780 WeakPolarHBondContact OD1-CB 3.33Å; N778-E780 PolarHBondContact OD1-N 2.94Å; N778-E780 VanDerWaalsContact OD1-N 3.1Å; N778-E780 PolarHBondContact OD1-OE2 2.59Å; E780-V846 HydrophobicContact CG-CB 4.14Å; E780-V846 HydrophobicContact CG-CG2 3.72Å |
| 781 | A | 88.2 | Confident | 92.8 | Very high | 86 Ų | 86 | 45.8 Ų | 45.8 | 71% | 0.711 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -45.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N778 R779 | N778-A781 HydrophobicContact CB-CB 4.46Å; N778-A781 WeakPolarHBondContact OD1-CB 3.44Å; N778-A781 PolarHBondContact OD1-N 2.86Å; R779-A781 PolarHBondContact O-N 3.4Å |
| 782 | R | 91.6 | Very high | 92.8 | Very high | 105 Ų | 105 | 47.5 Ų | 47.5 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | trans | -159 | 117 | 177.7 | -174.1 | 169.1 | 179.8 | 164.1 | 7.9 | 112.7 | N778 R779 H784 Y785 | N778-R782 PolarHBondContact O-N 3.14Å; R779-R782 CarbonylContact O-C 3.56Å; R779-R782 PolarHBondContact O-N 3.11Å; R782-H784 WeakPolarHBondContact CG-O 3.33Å; R782-H784 PolarHBondContact NE-O 2.85Å; R782-Y785 HydrophobicContact CG-CE1 4.23Å; R782-Y785 HydrophobicContact CG-CE2 4.34Å | ||
| 783 | D | 90.6 | Very high | 92.7 | Very high | 81 Ų | 81 | 44.7 Ų | 44.7 | 43% | 0.433 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -85.4 | -12 | -173.4 | 67.9 | -19.2 | 0 | 0 | 0 | 115.4 | R779 V809 | R779-D783 HydrophobicContact CG-CB 3.87Å; R779-D783 PolarHBondContact O-N 2.86Å; D783-V809 PolarHBondContact O-N 3.04Å |
| 784 | H | 93.6 | Very high | 92.4 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 30% | 0.296 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 152.8 | 178.1 | 69 | -79.8 | 0 | 0 | 0 | 114.6 | R782 Y806 I807 | R782-H784 WeakPolarHBondContact CG-O 3.33Å; R782-H784 PolarHBondContact NE-O 2.85Å; H784-Y806 HydrophobicContact CB-CE2 4.02Å; H784-Y806 WeakPolarHBondContact CB-OH 3.26Å; H784-Y806 AromaticContact CD2-CE2 3.65Å; H784-I807 CarbonylContact C-O 3.44Å; H784-I807 VanDerWaalsContact CA-O 3.25Å; H784-I807 WeakPolarHBondContact CA-O 3.13Å |
| 785 | Y | 93.9 | Very high | 92.2 | Very high | 15 Ų | 15 | 44.6 Ų | 44.6 | 6% | 0.059 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 136.9 | 178.9 | -63.4 | -90.5 | 0 | 0 | 0 | 111.5 | F759 L762 F763 L777 R782 I807 V809 | F759-Y785 HydrophobicContact CD1-CD1 4.21Å; F759-Y785 HydrophobicContact CD2-CD1 4.42Å; F759-Y785 HydrophobicContact CE1-CD1 4.1Å; F759-Y785 HydrophobicContact CE1-CE1 4.47Å; F759-Y785 HydrophobicContact CE2-CD1 4.3Å; F759-Y785 HydrophobicContact CG-CD1 4.38Å; F759-Y785 HydrophobicContact CZ-CD1 4.15Å; L762-Y785 HydrophobicContact CD1-CD1 4.28Å; L762-Y785 HydrophobicContact CD1-CE1 3.47Å; L762-Y785 VanDerWaalsContact CD1-CE1 3.47Å; F763-Y785 HydrophobicContact CE2-CD1 4.01Å; F763-Y785 HydrophobicContact CE2-CD2 4.25Å; F763-Y785 AromaticContact CE2-CG 3.84Å; F763-Y785 HydrophobicContact CE2-CG 3.84Å; F763-Y785 AromaticContact CZ-CD2 3.97Å; F763-Y785 HydrophobicContact CZ-CD2 3.97Å; F763-Y785 AromaticContact CZ-CG 3.98Å; F763-Y785 HydrophobicContact CZ-CG 3.98Å; L777-Y785 HydrophobicContact CD1-CD2 4.45Å; L777-Y785 HydrophobicContact CD1-CE2 4.07Å; L777-Y785 HydrophobicContact CD2-CE2 4.37Å; R782-Y785 HydrophobicContact CG-CE1 4.23Å; R782-Y785 HydrophobicContact CG-CE2 4.34Å; Y785-I807 PolarHBondContact N-O 3.17Å; Y785-I807 PolarHBondContact O-N 2.87Å; Y785-V809 HydrophobicContact CD2-CG2 3.94Å; Y785-V809 HydrophobicContact CE2-CG2 3.71Å |
| 786 | E | 94.3 | Very high | 92 | Very high | 113 Ų | 113 | 47.5 Ų | 47.5 | 53% | 0.528 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 88.7 | 169.1 | -68.7 | -174.1 | 165.8 | 0 | 0 | 109 | N758 F759 T804 L805 Y806 | N758-E786 PolarHBondContact ND2-O 3.49Å; F759-E786 WeakPolarHBondContact CE2-O 3.14Å; E786-T804 HydrophobicContact CB-CG2 4.32Å; E786-L805 CarbonylContact C-O 3.59Å; E786-L805 WeakPolarHBondContact CA-O 3.24Å; E786-Y806 HydrophobicContact CG-CD2 4.14Å |
| 787 | L | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.7 | -176.2 | -173 | 68.6 | 0 | 0 | 0 | 110.7 | L756 N758 F759 F763 I771 V789 T804 L805 I807 | L756-L787 HydrophobicContact CD1-CD1 4.42Å; L756-L787 HydrophobicContact CD2-CD1 4.07Å; L756-L787 HydrophobicContact CD2-CD2 3.94Å; L756-L787 HydrophobicContact CD2-CG 4.1Å; N758-L787 VanDerWaalsContact O-CD1 3.32Å; N758-L787 WeakPolarHBondContact O-CD1 3.44Å; F759-L787 HydrophobicContact CB-CD1 4.13Å; F759-L787 HydrophobicContact CD2-CD1 4.21Å; F763-L787 HydrophobicContact CB-CD1 4.28Å; F763-L787 HydrophobicContact CB-CD2 4.33Å; F763-L787 HydrophobicContact CD2-CD1 3.91Å; F763-L787 HydrophobicContact CG-CD1 4.27Å; F763-L787 HydrophobicContact CG-CD2 4.25Å; I771-L787 HydrophobicContact CD1-CD2 4.17Å; I771-L787 HydrophobicContact CG2-CD2 3.78Å; L787-V789 HydrophobicContact CD2-CG2 4.47Å; L787-V789 HydrophobicContact CG-CG2 4.49Å; L787-T804 CarbonylContact O-C 3.52Å; L787-T804 WeakPolarHBondContact O-CA 3.2Å; L787-L805 PolarHBondContact N-O 2.71Å; L787-L805 PolarHBondContact O-N 3.49Å; L787-I807 HydrophobicContact CB-CD1 3.63Å; L787-I807 HydrophobicContact CB-CG1 4.49Å; L787-I807 HydrophobicContact CD2-CD1 3.69Å; L787-I807 HydrophobicContact CG-CD1 4.28Å |
| 788 | V | 94.3 | Very high | 91.5 | Very high | 39 Ų | 39 | 52.7 Ų | 52.7 | 24% | 0.236 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.7 | 177.3 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | G757 N758 T804 | G757-V788 PolarHBondContact N-O 3.05Å; N758-V788 PolarHBondContact OD1-N 2.9Å; V788-T804 HydrophobicContact CG2-CG2 4.28Å |
| 789 | V | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 134.3 | 175.5 | -170.9 | 0 | 0 | 0 | 0 | 109.2 | F717 V739 L756 I765 I771 L787 T802 L803 L805 | F717-V789 HydrophobicContact CE1-CG1 4.35Å; F717-V789 HydrophobicContact CZ-CB 4.43Å; F717-V789 HydrophobicContact CZ-CG1 4.13Å; V739-V789 HydrophobicContact CG2-CG1 3.92Å; L756-V789 HydrophobicContact CD2-CG2 4.06Å; I765-V789 HydrophobicContact CD1-CG1 3.51Å; I771-V789 HydrophobicContact CD1-CG2 3.85Å; L787-V789 HydrophobicContact CD2-CG2 4.47Å; L787-V789 HydrophobicContact CG-CG2 4.49Å; V789-T802 CarbonylContact O-C 3.52Å; V789-T802 WeakPolarHBondContact O-CA 3.23Å; V789-L803 PolarHBondContact N-O 3.29Å; V789-L803 PolarHBondContact O-N 2.99Å; V789-L805 HydrophobicContact CG2-CD1 3.8Å; V789-L805 HydrophobicContact CG2-CG 4.44Å |
| 790 | V | 94.5 | Very high | 91.5 | Very high | 22 Ų | 22 | 60.2 Ų | 60.2 | 13% | 0.133 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.4 | -179.1 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | Y754 S755 T792 H800 S801 T802 | Y754-V790 WeakPolarHBondContact CA-O 3.46Å; S755-V790 PolarHBondContact N-O 2.81Å; S755-V790 PolarHBondContact O-N 2.83Å; V790-T792 HydrophobicContact CG1-CG2 4Å; V790-H800 HydrophobicContact CG1-CB 4.31Å; V790-S801 WeakPolarHBondContact CA-O 3.46Å; V790-T802 HydrophobicContact CG1-CG2 4.31Å; V790-T802 HydrophobicContact CG2-CG2 4.06Å |
| 791 | A | 94.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | P715 F717 A741 V752 H753 Y754 H800 S801 | P715-A791 HydrophobicContact CB-CB 3.98Å; F717-A791 HydrophobicContact CE1-CB 4.04Å; F717-A791 HydrophobicContact CE2-CB 3.69Å; F717-A791 HydrophobicContact CZ-CB 3.41Å; F717-A791 VanDerWaalsContact CZ-CB 3.41Å; A741-A791 HydrophobicContact CB-CB 3.81Å; V752-A791 HydrophobicContact CG1-CB 3.94Å; H753-A791 WeakPolarHBondContact O-CA 3.31Å; Y754-A791 HydrophobicContact CD1-CB 4.27Å; Y754-A791 HydrophobicContact CE1-CB 4.32Å; A791-H800 CarbonylContact O-C 3.49Å; A791-H800 WeakPolarHBondContact O-CA 3.38Å; A791-H800 WeakPolarHBondContact O-CB 3.5Å; A791-S801 PolarHBondContact N-O 3.17Å; A791-S801 PolarHBondContact O-N 2.89Å |
| 792 | T | 93.9 | Very high | 91.9 | Very high | 36 Ų | 36 | 59 Ų | 59 | 22% | 0.221 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142.8 | 179.3 | 54.6 | 0 | 0 | 0 | 0 | 109.3 | H753 V790 R799 H800 | H753-T792 PolarHBondContact N-O 3.03Å; H753-T792 PolarHBondContact O-N 2.76Å; H753-T792 PolarHBondContact O-OG1 3.05Å; V790-T792 HydrophobicContact CG1-CG2 4Å; T792-R799 WeakPolarHBondContact CA-O 3.41Å; T792-H800 HydrophobicContact CG2-CB 3.49Å; T792-H800 VanDerWaalsContact CG2-CB 3.49Å |
| 793 | D | 93.6 | Very high | 92 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | trans | -72.7 | 171.9 | 166 | 67.7 | 56.7 | 0 | 0 | 0 | 111.5 | N711 P715 N749 Q751 A795 P798 R799 | N711-D793 VanDerWaalsContact ND2-CG 3.27Å; N711-D793 PolarHBondContact ND2-OD1 3.06Å; N711-D793 PolarHBondContact ND2-OD2 3Å; N711-D793 PolarHBondContact OD1-OD2 2.91Å; P715-D793 HydrophobicContact CG-CB 4.13Å; N749-D793 WeakPolarHBondContact O-CB 3.03Å; Q751-D793 CarbonylContact O-C 3.55Å; Q751-D793 WeakPolarHBondContact O-CA 3.36Å; D793-A795 WeakPolarHBondContact OD1-CB 3.45Å; D793-A795 PolarHBondContact OD1-N 3.47Å; D793-P798 WeakPolarHBondContact O-CB 3.45Å; D793-P798 WeakPolarHBondContact OD1-CA 3.42Å; D793-P798 WeakPolarHBondContact OD1-CB 3.27Å; D793-R799 PolarHBondContact N-O 2.94Å; D793-R799 WeakPolarHBondContact OD2-CA 3.35Å; D793-R799 VanDerWaalsContact OD2-CB 3.26Å; D793-R799 WeakPolarHBondContact OD2-CB 3.43Å; D793-R799 PolarHBondContact OD2-N 3.21Å | ||
| 794 | G | 86.8 | Confident | 92.2 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 22% | 0.216 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -94 | 12.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I748 Q751 | I748-G794 WeakPolarHBondContact CG1-O 3.29Å; I748-G794 CarbonylContact O-C 3.59Å; I748-G794 VanDerWaalsContact O-CA 3.23Å; I748-G794 WeakPolarHBondContact O-CA 3.35Å; I748-G794 PolarHBondContact O-N 3.19Å; Q751-G794 PolarHBondContact O-N 2.68Å; Q751-G794 VanDerWaalsContact O-N 3.07Å |
| 795 | A | 87.5 | Confident | 92.2 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 12% | 0.116 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -71.7 | 165.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N711 N749 D793 H797 P798 | N711-A795 HydrophobicContact CB-CB 4.24Å; N711-A795 WeakPolarHBondContact ND2-CB 3.42Å; N749-A795 VanDerWaalsContact OD1-CB 3.28Å; N749-A795 WeakPolarHBondContact OD1-CB 3.42Å; D793-A795 WeakPolarHBondContact OD1-CB 3.45Å; D793-A795 PolarHBondContact OD1-N 3.47Å; A795-H797 VanDerWaalsContact C-N 3.27Å; A795-H797 PolarHBondContact O-N 2.86Å; A795-P798 WeakPolarHBondContact O-CD 3.42Å |
| 796 | V | 85 | Confident | 92.2 | Very high | 138 Ų | 138 | 54.3 Ų | 54.3 | 84% | 0.836 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -63.4 | -33.9 | 175.5 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | P798 | V796-P798 WeakPolarHBondContact O-CD 3.4Š|
| 797 | H | 85.5 | Confident | 92.2 | Very high | 165 Ų | 165 | 49 Ų | 49 | 76% | 0.764 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -115.4 | 80.5 | 170 | -61.6 | 120.6 | 0 | 0 | 0 | 108.3 | A795 | A795-H797 VanDerWaalsContact C-N 3.27Å; A795-H797 PolarHBondContact O-N 2.86Å |
| 798 | P | 89.2 | Confident | 92.2 | Very high | 70 Ų | 70 | 54.4 Ų | 54.4 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | trans | -71.2 | 140.1 | -167.8 | 27.7 | -33.4 | 0 | 0 | 0 | 111.7 | D793 A795 V796 | D793-P798 WeakPolarHBondContact O-CB 3.45Å; D793-P798 WeakPolarHBondContact OD1-CA 3.42Å; D793-P798 WeakPolarHBondContact OD1-CB 3.27Å; A795-P798 WeakPolarHBondContact O-CD 3.42Å; V796-P798 WeakPolarHBondContact O-CD 3.4Å | ||
| 799 | R | 92.6 | Very high | 92.1 | Very high | 114 Ų | 114 | 52.6 Ų | 52.6 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | trans | -99.1 | 150.5 | 171.9 | -59.3 | 171.1 | 63.8 | 119.6 | -6.3 | 108.1 | N711 D712 N713 A714 T792 D793 | N711-R799 WeakPolarHBondContact OD1-CD 3.26Å; D712-R799 PolarHBondContact O-NH2 2.87Å; N713-R799 WeakPolarHBondContact O-CD 3.48Å; N713-R799 PolarHBondContact O-NE 3.25Å; A714-R799 HydrophobicContact CB-CB 3.79Å; T792-R799 WeakPolarHBondContact CA-O 3.41Å; D793-R799 PolarHBondContact N-O 2.94Å; D793-R799 WeakPolarHBondContact OD2-CA 3.35Å; D793-R799 VanDerWaalsContact OD2-CB 3.26Å; D793-R799 WeakPolarHBondContact OD2-CB 3.43Å; D793-R799 PolarHBondContact OD2-N 3.21Å | ||
| 800 | H | 93.3 | Very high | 92.1 | Very high | 121 Ų | 121 | 55.7 Ų | 55.7 | 56% | 0.56 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 153.5 | -169.1 | 68.8 | 103.9 | 0 | 0 | 0 | 112.9 | V790 A791 T792 | V790-H800 HydrophobicContact CG1-CB 4.31Å; A791-H800 CarbonylContact O-C 3.49Å; A791-H800 WeakPolarHBondContact O-CA 3.38Å; A791-H800 WeakPolarHBondContact O-CB 3.5Å; T792-H800 HydrophobicContact CG2-CB 3.49Å; T792-H800 VanDerWaalsContact CG2-CB 3.49Å |
| 801 | S | 93.7 | Very high | 91.8 | Very high | 30 Ų | 30 | 57 Ų | 57 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 159.4 | 170.5 | 69.7 | 0 | 0 | 0 | 0 | 110.8 | P715 F717 V790 A791 | P715-S801 WeakPolarHBondContact O-CB 3.32Å; P715-S801 PolarHBondContact O-OG 3.06Å; F717-S801 WeakPolarHBondContact CD2-OG 3.15Å; F717-S801 WeakPolarHBondContact CE2-OG 3.08Å; V790-S801 WeakPolarHBondContact CA-O 3.46Å; A791-S801 PolarHBondContact N-O 3.17Å; A791-S801 PolarHBondContact O-N 2.89Å |
| 802 | T | 93.9 | Very high | 91.6 | Very high | 87 Ų | 87 | 59.8 Ų | 59.8 | 53% | 0.534 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140.3 | -175.8 | 61.8 | 0 | 0 | 0 | 0 | 111.6 | V789 V790 | V789-T802 CarbonylContact O-C 3.52Å; V789-T802 WeakPolarHBondContact O-CA 3.23Å; V790-T802 HydrophobicContact CG1-CG2 4.31Å; V790-T802 HydrophobicContact CG2-CG2 4.06Å |
| 803 | L | 93.5 | Very high | 91.3 | Very high | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 125.2 | 176 | 178.3 | 67 | 0 | 0 | 0 | 110.1 | F717 L721 R723 V739 V789 L805 | F717-L803 HydrophobicContact CB-CD2 4.46Å; F717-L803 HydrophobicContact CD1-CB 4.33Å; F717-L803 HydrophobicContact CD1-CD2 4.01Å; F717-L803 HydrophobicContact CD2-CB 3.76Å; F717-L803 HydrophobicContact CE1-CB 4.38Å; F717-L803 HydrophobicContact CE1-CD2 4.45Å; F717-L803 HydrophobicContact CE2-CB 3.8Å; F717-L803 HydrophobicContact CG-CB 4.03Å; F717-L803 HydrophobicContact CG-CD2 4.16Å; F717-L803 HydrophobicContact CZ-CB 4.12Å; L721-L803 HydrophobicContact CD1-CD2 4.2Å; R723-L803 VanDerWaalsContact NH1-CD1 3.34Å; V739-L803 HydrophobicContact CG1-CD2 3.93Å; V789-L803 PolarHBondContact N-O 3.29Å; V789-L803 PolarHBondContact O-N 2.99Å; L803-L805 HydrophobicContact CD2-CD2 3.89Å; L803-L805 HydrophobicContact CD2-CG 4.47Å; L803-L805 HydrophobicContact CG-CD2 4.11Å; L803-L805 HydrophobicContact CG-CG 4.47Å |
| 804 | T | 93.3 | Very high | 91.1 | Very high | 69 Ų | 69 | 61.8 Ų | 61.8 | 42% | 0.423 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.3 | 172.8 | -47.5 | 0 | 0 | 0 | 0 | 110.4 | E786 L787 V788 | E786-T804 HydrophobicContact CB-CG2 4.32Å; L787-T804 CarbonylContact O-C 3.52Å; L787-T804 WeakPolarHBondContact O-CA 3.2Å; V788-T804 HydrophobicContact CG2-CG2 4.28Å |
| 805 | L | 93.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 136 | 176.1 | -59.1 | 174.1 | 0 | 0 | 0 | 109.4 | R723 L725 V739 I771 E786 L787 V789 L803 | R723-L805 CarbonylContact O-C 3.55Å; R723-L805 WeakPolarHBondContact O-CA 3.31Å; L725-L805 HydrophobicContact CD1-CD1 3.97Å; V739-L805 HydrophobicContact CG1-CD1 3.9Å; I771-L805 HydrophobicContact CD1-CD1 3.51Å; E786-L805 CarbonylContact C-O 3.59Å; E786-L805 WeakPolarHBondContact CA-O 3.24Å; L787-L805 PolarHBondContact N-O 2.71Å; L787-L805 PolarHBondContact O-N 3.49Å; V789-L805 HydrophobicContact CG2-CD1 3.8Å; V789-L805 HydrophobicContact CG2-CG 4.44Å; L803-L805 HydrophobicContact CD2-CD2 3.89Å; L803-L805 HydrophobicContact CD2-CG 4.47Å; L803-L805 HydrophobicContact CG-CD2 4.11Å; L803-L805 HydrophobicContact CG-CG 4.47Å |
| 806 | Y | 95.4 | Very high | 91.4 | Very high | 88 Ų | 88 | 64 Ų | 64 | 35% | 0.345 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 114.7 | 172.4 | -176.1 | -96.5 | 0 | 0 | 0 | 109 | R723 N724 L725 H784 E786 K808 | R723-Y806 PolarHBondContact O-N 2.87Å; N724-Y806 CarbonylContact C-O 3.24Å; N724-Y806 VanDerWaalsContact CA-O 3.32Å; N724-Y806 WeakPolarHBondContact CA-O 3.41Å; L725-Y806 PolarHBondContact N-O 2.65Å; H784-Y806 HydrophobicContact CB-CE2 4.02Å; H784-Y806 WeakPolarHBondContact CB-OH 3.26Å; H784-Y806 AromaticContact CD2-CE2 3.65Å; E786-Y806 HydrophobicContact CG-CD2 4.14Å; Y806-K808 HydrophobicContact CE1-CB 4.45Å |
| 807 | I | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 117.6 | -178.5 | -57 | 165.4 | 0 | 0 | 0 | 108 | L725 V727 V736 F763 H784 Y785 L787 | L725-I807 HydrophobicContact CB-CG1 4.37Å; L725-I807 CarbonylContact O-C 3.57Å; L725-I807 WeakPolarHBondContact O-CA 3.38Å; V727-I807 HydrophobicContact CG1-CG2 3.83Å; V736-I807 HydrophobicContact CG1-CD1 3.9Å; V736-I807 HydrophobicContact CG1-CG1 3.96Å; V736-I807 HydrophobicContact CG1-CG2 3.88Å; F763-I807 HydrophobicContact CD1-CD1 4.34Å; F763-I807 HydrophobicContact CE1-CD1 3.83Å; F763-I807 HydrophobicContact CE2-CD1 4.39Å; F763-I807 HydrophobicContact CZ-CD1 3.86Å; H784-I807 CarbonylContact C-O 3.44Å; H784-I807 VanDerWaalsContact CA-O 3.25Å; H784-I807 WeakPolarHBondContact CA-O 3.13Å; Y785-I807 PolarHBondContact N-O 3.17Å; Y785-I807 PolarHBondContact O-N 2.87Å; L787-I807 HydrophobicContact CB-CD1 3.63Å; L787-I807 HydrophobicContact CB-CG1 4.49Å; L787-I807 HydrophobicContact CD2-CD1 3.69Å; L787-I807 HydrophobicContact CG-CD1 4.28Å |
| 808 | K | 94.1 | Very high | 92.1 | Very high | 114 Ų | 114 | 54.5 Ų | 54.5 | 50% | 0.496 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.1 | 172.1 | -175.1 | 179 | 179.5 | -174 | 0 | 110 | L725 S726 V727 Y806 | L725-K808 PolarHBondContact O-N 3.06Å; S726-K808 CarbonylContact C-O 3.53Å; S726-K808 WeakPolarHBondContact CA-O 3.32Å; V727-K808 PolarHBondContact N-O 3Å; Y806-K808 HydrophobicContact CE1-CB 4.45Å |
| 809 | V | 92.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 128.7 | 171.3 | -171.5 | 0 | 0 | 0 | 0 | 108.5 | V727 E729 L777 R779 D783 Y785 | V727-V809 CarbonylContact O-C 3.25Å; V727-V809 WeakPolarHBondContact O-CA 3.28Å; E729-V809 HydrophobicContact CB-CG1 3.63Å; L777-V809 HydrophobicContact CD1-CG2 4.24Å; R779-V809 HydrophobicContact CB-CB 4.26Å; R779-V809 HydrophobicContact CB-CG1 3.75Å; R779-V809 HydrophobicContact CG-CB 4.13Å; R779-V809 HydrophobicContact CG-CG1 4.11Å; D783-V809 PolarHBondContact O-N 3.04Å; Y785-V809 HydrophobicContact CD2-CG2 3.94Å; Y785-V809 HydrophobicContact CE2-CG2 3.71Å |
| 810 | L | 92.4 | Very high | 92.1 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 133.3 | 178.8 | -58.6 | 176.9 | 0 | 0 | 0 | 109.4 | V727 V728 E729 | V727-L810 PolarHBondContact O-N 2.63Å; V728-L810 HydrophobicContact CG2-CD1 4.21Å; E729-L810 PolarHBondContact N-O 3.15Å |
| 811 | D | 89.6 | Confident | 92 | Very high | 49 Ų | 49 | 48.6 Ų | 48.6 | 26% | 0.262 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 134.7 | 178.9 | -175.4 | 88.5 | 0 | 0 | 0 | 111.3 | E729 R779 L848 | E729-D811 WeakPolarHBondContact OE1-CA 3.12Å; R779-D811 IonicContact CZ-OD1 2.68Å; R779-D811 IonicContact NE-OD1 2.71Å; R779-D811 PolarHBondContact NE-OD1 3.4Å; R779-D811 IonicContact NH2-OD1 3.15Å; R779-D811 PolarHBondContact NH2-OD1 2.84Å; D811-L848 HydrophobicContact CB-CB 4.14Å; D811-L848 HydrophobicContact CB-CD1 4.02Å; D811-L848 HydrophobicContact CB-CG 4.31Å; D811-L848 PolarHBondContact OD1-N 2.89Å; D811-L848 WeakPolarHBondContact OD2-CB 3.42Å; D811-L848 PolarHBondContact OD2-N 2.78Å; D811-L848 VanDerWaalsContact OD2-N 3.15Å |
| 812 | I | 89.1 | Confident | 91.7 | Very high | 58 Ų | 58 | 51.5 Ų | 51.5 | 30% | 0.297 | 28% | 0.284 | S | S | . | . | trans | -119.9 | 159.4 | 162.1 | 72.7 | -176.1 | 0 | 0 | 0 | 108.8 | V728 E729 E730 D814 | V728-I812 HydrophobicContact CG1-CG2 3.38Å; E729-I812 HydrophobicContact CG-CB 4.32Å; E729-I812 HydrophobicContact CG-CD1 3.79Å; E729-I812 HydrophobicContact CG-CG1 3.54Å; E729-I812 HydrophobicContact CG-CG2 4.25Å; E729-I812 PolarHBondContact OE1-N 2.93Å; E730-I812 HydrophobicContact CB-CD1 3.78Å; E730-I812 HydrophobicContact CG-CD1 4.09Å; I812-D814 HydrophobicContact CD1-CB 4.26Å; I812-D814 HydrophobicContact CG1-CB 3.99Å; I812-D814 PolarHBondContact O-N 2.65Å; I812-D814 VanDerWaalsContact O-N 3.1Å | ||
| 813 | D | 88.5 | Confident | 91.7 | Very high | 43 Ų | 43 | 51 Ų | 51 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -81.1 | 86 | 175.7 | 171.3 | 79.6 | 0 | 0 | 0 | 109.2 | D847 G903 T904 M905 | D813-D847 WeakPolarHBondContact CA-OD2 3.41Å; D813-G903 VanDerWaalsContact OD1-CA 3.31Å; D813-G903 WeakPolarHBondContact OD1-CA 3.37Å; D813-T904 VanDerWaalsContact OD2-CA 3.28Å; D813-T904 WeakPolarHBondContact OD2-CA 3.47Å; D813-T904 WeakPolarHBondContact OD2-CB 3.3Å; D813-T904 PolarHBondContact OD2-N 3.41Å; D813-T904 PolarHBondContact OD2-OG1 3.22Å; D813-M905 VanDerWaalsContact O-CG 3.23Å; D813-M905 WeakPolarHBondContact O-CG 3.44Å; D813-M905 PolarHBondContact OD2-N 3.09Å |
| 814 | D | 88.6 | Confident | 91.6 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | trans | -117 | -2.8 | 179.4 | 76.6 | -31.7 | 0 | 0 | 0 | 113.9 | I812 D847 M905 | I812-D814 HydrophobicContact CD1-CB 4.26Å; I812-D814 HydrophobicContact CG1-CB 3.99Å; I812-D814 PolarHBondContact O-N 2.65Å; I812-D814 VanDerWaalsContact O-N 3.1Å; D814-D847 PolarHBondContact N-OD2 3.34Å; D814-D847 VanDerWaalsContact N-OD2 3.15Å; D814-M905 WeakPolarHBondContact O-CE 3.38Å | ||
| 815 | N | 89.3 | Confident | 91.5 | Very high | 47 Ų | 47 | 53 Ų | 53 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | trans | -108.6 | 141.9 | 175.2 | -65.4 | -82.8 | 0 | 0 | 0 | 111.9 | V846 D847 M905 | N815-V846 HydrophobicContact CB-CG2 3.6Å; N815-V846 WeakPolarHBondContact ND2-CG2 3.47Å; N815-D847 WeakPolarHBondContact CB-OD1 3.31Å; N815-D847 PolarHBondContact N-OD2 3.13Å; N815-D847 PolarHBondContact ND2-OD1 3.43Å; N815-M905 WeakPolarHBondContact O-CB 3.5Å | ||
| 816 | S | 91.7 | Very high | 91.4 | Very high | 35 Ų | 35 | 54 Ų | 54 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | trans | -93.4 | 145.6 | 171.5 | -74 | 0 | 0 | 0 | 0 | 110 | V818 P906 | S816-V818 VanDerWaalsContact O-CG2 3.31Å; S816-V818 WeakPolarHBondContact O-CG2 3.41Å; S816-V818 PolarHBondContact O-N 2.83Å; S816-P906 WeakPolarHBondContact CB-O 3.31Å; S816-P906 PolarHBondContact OG-O 2.86Å | ||
| 817 | P | 93.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.019 | 31% | 0.308 | C | S | . | . | trans | -56.7 | 125.2 | 173.6 | -23.8 | 30.9 | 0 | 0 | 0 | 111.9 | A843 D845 V852 A898 D900 G908 | P817-A843 HydrophobicContact CB-CB 4.41Å; P817-D845 HydrophobicContact CB-CB 4.29Å; P817-D845 VanDerWaalsContact CD-OD2 3.29Å; P817-D845 WeakPolarHBondContact CD-OD2 3.46Å; P817-D845 HydrophobicContact CG-CB 4.16Å; P817-D845 WeakPolarHBondContact CG-OD2 3.32Å; P817-V852 HydrophobicContact CB-CG1 4.07Å; P817-V852 HydrophobicContact CB-CG2 4.06Å; P817-V852 HydrophobicContact CG-CG2 4.24Å; P817-A898 HydrophobicContact CB-CB 4.07Å; P817-D900 HydrophobicContact CG-CB 4.44Å; P817-G908 WeakPolarHBondContact O-CA 3.43Å | ||
| 818 | V | 91.1 | Very high | 90.9 | Very high | 101 Ų | 101 | 54.2 Ų | 54.2 | 61% | 0.612 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 124.4 | -178.3 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | S816 A843 K844 | S816-V818 VanDerWaalsContact O-CG2 3.31Å; S816-V818 WeakPolarHBondContact O-CG2 3.41Å; S816-V818 PolarHBondContact O-N 2.83Å; V818-A843 CarbonylContact O-C 3.59Å; V818-A843 WeakPolarHBondContact O-CA 2.96Å; V818-A843 WeakPolarHBondContact O-CB 3.39Å; V818-K844 PolarHBondContact N-O 3.45Å; V818-K844 PolarHBondContact O-N 2.82Å |
| 819 | F | 93.2 | Very high | 90.6 | Very high | 17 Ų | 17 | 52.8 Ų | 52.8 | 8% | 0.075 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 146.3 | 172.9 | -76.4 | -76.8 | 0 | 0 | 0 | 111.9 | N821 Y824 I841 E842 A843 Y854 V896 A898 G908 A910 | F819-N821 WeakPolarHBondContact CB-O 3.3Å; F819-N821 PolarHBondContact O-N 3.16Å; F819-Y824 HydrophobicContact CB-CE2 4.36Å; F819-Y824 HydrophobicContact CD1-CE2 4.19Å; F819-Y824 HydrophobicContact CG-CE2 4.47Å; F819-I841 HydrophobicContact CD1-CB 4.35Å; F819-I841 HydrophobicContact CE1-CB 4.12Å; F819-I841 HydrophobicContact CE1-CD1 3.65Å; F819-I841 HydrophobicContact CE1-CG1 4.04Å; F819-I841 HydrophobicContact CZ-CD1 4.17Å; F819-E842 CarbonylContact C-O 3.52Å; F819-E842 WeakPolarHBondContact CA-O 3.28Å; F819-A843 HydrophobicContact CD1-CB 3.76Å; F819-A843 HydrophobicContact CE1-CB 4.01Å; F819-A843 HydrophobicContact CG-CB 4.04Å; F819-Y854 AromaticContact CE1-CD1 3.87Å; F819-Y854 HydrophobicContact CE1-CD1 3.87Å; F819-Y854 AromaticContact CE1-CE1 3.86Å; F819-Y854 HydrophobicContact CE1-CE1 3.86Å; F819-Y854 HydrophobicContact CZ-CD1 4.25Å; F819-V896 HydrophobicContact CE1-CG2 4.38Å; F819-V896 HydrophobicContact CE2-CG2 4.47Å; F819-V896 HydrophobicContact CZ-CG2 3.98Å; F819-A898 HydrophobicContact CD2-CB 4.38Å; F819-A898 HydrophobicContact CE1-CB 3.9Å; F819-A898 HydrophobicContact CE2-CB 3.66Å; F819-A898 HydrophobicContact CZ-CB 3.38Å; F819-G908 WeakPolarHBondContact CE2-O 3.3Å; F819-A910 HydrophobicContact CB-CB 4.13Å; F819-A910 HydrophobicContact CD1-CB 4.31Å; F819-A910 HydrophobicContact CD2-CB 3.54Å; F819-A910 HydrophobicContact CE2-CB 3.93Å; F819-A910 HydrophobicContact CG-CB 3.74Å; F819-A910 HydrophobicContact CZ-CB 4.48Å |
| 820 | T | 89.7 | Confident | 90.3 | Very high | 76 Ų | 76 | 53 Ų | 53 | 47% | 0.466 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -57.7 | -34.3 | 175 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | Y824 E842 | T820-Y824 PolarHBondContact N-OH 2.97Å; T820-Y824 PolarHBondContact OG1-OH 2.72Å; T820-E842 HydrophobicContact CG2-CB 4.05Å; T820-E842 HydrophobicContact CG2-CG 4.28Å; T820-E842 PolarHBondContact N-O 3.08Å; T820-E842 PolarHBondContact OG1-O 2.69Å |
| 821 | N | 91.5 | Very high | 89.9 | Confident | 88 Ų | 88 | 53.8 Ų | 53.8 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | trans | -131.1 | 140 | 173.9 | -65.3 | 41.6 | 0 | 0 | 0 | 110 | F819 T823 Y824 | F819-N821 WeakPolarHBondContact CB-O 3.3Å; F819-N821 PolarHBondContact O-N 3.16Å; N821-T823 VanDerWaalsContact C-N 3.29Å; N821-T823 PolarHBondContact O-N 3.12Å; N821-Y824 HydrophobicContact CB-CD1 4.24Å; N821-Y824 HydrophobicContact CB-CE1 3.81Å; N821-Y824 HydrophobicContact CB-CE2 4.22Å; N821-Y824 PolarHBondContact N-OH 3.17Å; N821-Y824 WeakPolarHBondContact O-CE2 3.38Å | ||
| 822 | S | 87.8 | Confident | 89.8 | Confident | 90 Ų | 90 | 53.5 Ų | 53.5 | 63% | 0.629 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -68.8 | -29.7 | 173.5 | 53 | 0 | 0 | 0 | 0 | 112.7 | A910 T911 | S822-A910 VanDerWaalsContact O-CA 3.31Å; S822-A910 WeakPolarHBondContact O-CA 2.97Å; S822-A910 WeakPolarHBondContact O-CB 3.4Å; S822-T911 PolarHBondContact O-N 3.06Å |
| 823 | T | 92.3 | Very high | 89.7 | Confident | 76 Ų | 76 | 54.7 Ų | 54.7 | 47% | 0.466 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 128.3 | 179.6 | 69.1 | 0 | 0 | 0 | 0 | 110.6 | N821 T911 | N821-T823 VanDerWaalsContact C-N 3.29Å; N821-T823 PolarHBondContact O-N 3.12Å; T823-T911 CarbonylContact C-O 3.6Å; T823-T911 WeakPolarHBondContact CA-O 3.24Å; T823-T911 WeakPolarHBondContact CB-OG1 3.43Å; T823-T911 WeakPolarHBondContact CG2-OG1 3.32Å |
| 824 | Y | 92.7 | Very high | 89.7 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 119.8 | 172.9 | -63 | -89.1 | 0 | 0 | 0 | 109.7 | F819 T820 N821 L839 I841 E842 A910 T911 V912 T913 | F819-Y824 HydrophobicContact CB-CE2 4.36Å; F819-Y824 HydrophobicContact CD1-CE2 4.19Å; F819-Y824 HydrophobicContact CG-CE2 4.47Å; T820-Y824 PolarHBondContact N-OH 2.97Å; T820-Y824 PolarHBondContact OG1-OH 2.72Å; N821-Y824 HydrophobicContact CB-CD1 4.24Å; N821-Y824 HydrophobicContact CB-CE1 3.81Å; N821-Y824 HydrophobicContact CB-CE2 4.22Å; N821-Y824 PolarHBondContact N-OH 3.17Å; N821-Y824 WeakPolarHBondContact O-CE2 3.38Å; Y824-L839 HydrophobicContact CD1-CD1 4.19Å; Y824-L839 HydrophobicContact CG-CD2 4.28Å; Y824-I841 HydrophobicContact CD1-CG2 4.34Å; Y824-I841 HydrophobicContact CD2-CG2 3.91Å; Y824-I841 HydrophobicContact CE1-CG2 4.31Å; Y824-I841 HydrophobicContact CE2-CB 4.26Å; Y824-I841 HydrophobicContact CE2-CG2 3.88Å; Y824-I841 HydrophobicContact CG-CG2 4.15Å; Y824-E842 PolarHBondContact OH-O 2.97Å; Y824-A910 HydrophobicContact CD2-CB 4.05Å; Y824-A910 HydrophobicContact CE2-CB 3.86Å; Y824-T911 PolarHBondContact N-O 3.13Å; Y824-V912 CarbonylContact O-C 3.58Å; Y824-V912 WeakPolarHBondContact O-CA 3.36Å; Y824-T913 PolarHBondContact O-N 3.32Å |
| 825 | T | 91.6 | Very high | 89.6 | Confident | 103 Ų | 103 | 56.6 Ų | 56.6 | 63% | 0.632 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123.5 | 175 | 56.5 | 0 | 0 | 0 | 0 | 109.3 | T913 | T825-T913 WeakPolarHBondContact CA-O 3.24Å |
| 826 | V | 90.8 | Very high | 89.6 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 15% | 0.145 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 138.9 | 179.6 | 64.2 | 0 | 0 | 0 | 0 | 110.3 | V828 F838 L839 T913 V914 I915 | V826-V828 HydrophobicContact CG1-CG2 4.28Å; V826-V828 HydrophobicContact CG2-CG2 4.34Å; V826-F838 HydrophobicContact CB-CD2 4.5Å; V826-F838 HydrophobicContact CG1-CD2 3.65Å; V826-F838 HydrophobicContact CG1-CE2 3.65Å; V826-F838 HydrophobicContact CG2-CD2 4.1Å; V826-L839 HydrophobicContact CG1-CB 4.49Å; V826-L839 HydrophobicContact CG1-CD2 4.46Å; V826-T913 PolarHBondContact N-O 3.47Å; V826-V914 HydrophobicContact CG1-CG2 4.07Å; V826-I915 PolarHBondContact O-N 3.04Å |
| 827 | V | 89.8 | Confident | 89.5 | Confident | 90 Ų | 90 | 58 Ų | 58 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 124.4 | 175.6 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | I915 K917 | V827-I915 CarbonylContact C-O 3.5Å; V827-I915 WeakPolarHBondContact CA-O 3.06Å; V827-I915 HydrophobicContact CG2-CB 4.33Å; V827-K917 HydrophobicContact CG1-CB 3.68Å; V827-K917 HydrophobicContact CG1-CD 4.22Å; V827-K917 HydrophobicContact CG1-CG 4.47Å |
| 828 | V | 89.5 | Confident | 89.4 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 121.6 | -176.5 | 174.2 | 0 | 0 | 0 | 0 | 106.8 | V826 L832 F838 L876 L880 V914 I915 V916 K917 | V826-V828 HydrophobicContact CG1-CG2 4.28Å; V826-V828 HydrophobicContact CG2-CG2 4.34Å; V828-L832 HydrophobicContact CB-CD1 4.34Å; V828-L832 HydrophobicContact CG1-CD1 3.45Å; V828-L832 VanDerWaalsContact CG1-CD1 3.45Å; V828-F838 HydrophobicContact CG2-CB 4.19Å; V828-F838 HydrophobicContact CG2-CD2 3.62Å; V828-F838 HydrophobicContact CG2-CE2 4.1Å; V828-F838 HydrophobicContact CG2-CG 3.89Å; V828-L876 HydrophobicContact CG1-CD1 4.06Å; V828-L880 HydrophobicContact CG1-CD1 4.43Å; V828-V914 HydrophobicContact CB-CG1 3.97Å; V828-V914 HydrophobicContact CG2-CG1 3.7Å; V828-I915 PolarHBondContact N-O 2.91Å; V828-V916 CarbonylContact O-C 3.59Å; V828-V916 VanDerWaalsContact O-CA 3.29Å; V828-V916 WeakPolarHBondContact O-CA 3.41Å; V828-K917 PolarHBondContact O-N 3Å |
| 829 | E | 87.3 | Confident | 89.4 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 40% | 0.397 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 140 | 173.4 | -69.5 | 177.3 | 166.2 | 0 | 0 | 109.7 | L832 K917 M919 | E829-L832 HydrophobicContact CB-CD1 4.14Å; E829-L832 HydrophobicContact CB-CG 4.21Å; E829-L832 WeakPolarHBondContact O-CB 3.07Å; E829-L832 VanDerWaalsContact O-CD1 3.26Å; E829-L832 WeakPolarHBondContact O-CD1 3.44Å; E829-L832 VanDerWaalsContact O-CG 3.24Å; E829-L832 WeakPolarHBondContact O-CG 3.21Å; E829-K917 HydrophobicContact CG-CB 4.44Å; E829-K917 HydrophobicContact CG-CD 4.05Å; E829-K917 IonicContact OE1-NZ 3.55Å; E829-K917 PolarHBondContact OE1-NZ 2.82Å; E829-M919 HydrophobicContact CB-CG 4.17Å; E829-M919 HydrophobicContact CB-SD 4.15Å; E829-M919 HydrophobicContact CG-CE 4.29Å; E829-M919 HydrophobicContact CG-SD 4Å |
| 830 | E | 86.2 | Confident | 89.4 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.028 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 167.4 | 171.8 | 73.9 | 179.5 | 130.9 | 0 | 0 | 111.8 | L832 Y882 V916 K917 D918 M919 | E830-L832 PolarHBondContact O-N 2.98Å; E830-Y882 VanDerWaalsContact OE2-CB 3.26Å; E830-Y882 WeakPolarHBondContact OE2-CB 3.47Å; E830-Y882 PolarHBondContact OE2-N 3.27Å; E830-V916 HydrophobicContact CB-CG1 3.87Å; E830-K917 PolarHBondContact N-O 3.4Å; E830-K917 VanDerWaalsContact N-O 3.08Å; E830-D918 WeakPolarHBondContact OE1-CA 3.21Å; E830-M919 HydrophobicContact CG-CB 3.7Å; E830-M919 HydrophobicContact CG-CG 3.78Å; E830-M919 WeakPolarHBondContact OE1-CA 3.28Å; E830-M919 PolarHBondContact OE1-N 3.42Å; E830-M919 VanDerWaalsContact OE1-O 3.12Å |
| 831 | N | 83.3 | Confident | 89.5 | Confident | 81 Ų | 81 | 57.8 Ų | 57.8 | 43% | 0.433 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 7 | -176.7 | -68 | -55.1 | 0 | 0 | 0 | 114.7 | L880 D921 | N831-L880 PolarHBondContact N-O 3.1Å; N831-D921 PolarHBondContact ND2-OD2 3.37Å |
| 832 | L | 87.6 | Confident | 89.5 | Confident | 43 Ų | 43 | 58 Ų | 58 | 23% | 0.225 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 130 | 173.8 | -93 | 172.1 | 0 | 0 | 0 | 110.5 | V828 E829 E830 A834 L876 S879 | V828-L832 HydrophobicContact CB-CD1 4.34Å; V828-L832 HydrophobicContact CG1-CD1 3.45Å; V828-L832 VanDerWaalsContact CG1-CD1 3.45Å; E829-L832 HydrophobicContact CB-CD1 4.14Å; E829-L832 HydrophobicContact CB-CG 4.21Å; E829-L832 WeakPolarHBondContact O-CB 3.07Å; E829-L832 VanDerWaalsContact O-CD1 3.26Å; E829-L832 WeakPolarHBondContact O-CD1 3.44Å; E829-L832 VanDerWaalsContact O-CG 3.24Å; E829-L832 WeakPolarHBondContact O-CG 3.21Å; E830-L832 PolarHBondContact O-N 2.98Å; L832-A834 PolarHBondContact O-N 3.38Å; L832-L876 HydrophobicContact CB-CD1 3.73Å; L832-S879 WeakPolarHBondContact O-CB 3.24Å |
| 833 | P | 88.8 | Confident | 89.7 | Confident | 84 Ų | 84 | 54 Ų | 54 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 137.1 | -174.9 | -25.9 | 33.4 | 0 | 0 | 0 | 113 | G835 T836 | P833-G835 PolarHBondContact O-N 2.82Å; P833-T836 WeakPolarHBondContact O-CB 3.5Å; P833-T836 PolarHBondContact O-N 2.97Å; P833-T836 PolarHBondContact O-OG1 3.29Å |
| 834 | A | 87.8 | Confident | 89.6 | Confident | 62 Ų | 62 | 56.6 Ų | 56.6 | 51% | 0.512 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 136.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L832 L877 | L832-A834 PolarHBondContact O-N 3.38Å; A834-L877 WeakPolarHBondContact CB-O 2.88Å |
| 835 | G | 86.6 | Confident | 89.6 | Confident | 59 Ų | 59 | 57 Ų | 57 | 61% | 0.608 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99 | -5.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | P833 S837 L876 | P833-G835 PolarHBondContact O-N 2.82Å; G835-S837 PolarHBondContact O-N 3.33Å; G835-L876 WeakPolarHBondContact CA-O 3.34Å; G835-L876 PolarHBondContact N-O 2.95Å |
| 836 | T | 89.4 | Confident | 89.5 | Confident | 51 Ų | 51 | 56.2 Ų | 56.2 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | trans | -76.5 | 124.3 | 179.8 | -52.2 | 0 | 0 | 0 | 0 | 110.7 | P833 S875 L876 | P833-T836 WeakPolarHBondContact O-CB 3.5Å; P833-T836 PolarHBondContact O-N 2.97Å; P833-T836 PolarHBondContact O-OG1 3.29Å; T836-S875 CarbonylContact O-C 3.55Å; T836-S875 WeakPolarHBondContact O-CA 3.16Å; T836-L876 PolarHBondContact O-N 3.36Å | ||
| 837 | S | 90.4 | Very high | 89.6 | Confident | 61 Ų | 61 | 55.6 Ų | 55.6 | 43% | 0.427 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 126.2 | 168.7 | -58.1 | 0 | 0 | 0 | 0 | 109.5 | G835 E873 L874 | G835-S837 PolarHBondContact O-N 3.33Å; S837-E873 PolarHBondContact OG-OE2 3.38Å; S837-L874 WeakPolarHBondContact CA-O 3.07Å |
| 838 | F | 89.3 | Confident | 89.4 | Confident | 40 Ų | 40 | 57 Ų | 57 | 18% | 0.175 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | -15.6 | -174.4 | 60.9 | -92 | 0 | 0 | 0 | 113.9 | V826 V828 F865 L874 L876 V914 | V826-F838 HydrophobicContact CB-CD2 4.5Å; V826-F838 HydrophobicContact CG1-CD2 3.65Å; V826-F838 HydrophobicContact CG1-CE2 3.65Å; V826-F838 HydrophobicContact CG2-CD2 4.1Å; V828-F838 HydrophobicContact CG2-CB 4.19Å; V828-F838 HydrophobicContact CG2-CD2 3.62Å; V828-F838 HydrophobicContact CG2-CE2 4.1Å; V828-F838 HydrophobicContact CG2-CG 3.89Å; F838-F865 AromaticContact CE1-CD1 3.82Å; F838-F865 HydrophobicContact CE1-CD1 3.82Å; F838-F865 HydrophobicContact CE1-CE1 4.11Å; F838-F865 AromaticContact CZ-CD1 3.62Å; F838-F865 HydrophobicContact CZ-CD1 3.62Å; F838-F865 AromaticContact CZ-CE1 3.74Å; F838-F865 HydrophobicContact CZ-CE1 3.74Å; F838-L874 HydrophobicContact CE1-CD2 4.35Å; F838-L874 HydrophobicContact CE1-CG 4.22Å; F838-L874 HydrophobicContact CE2-CD2 3.51Å; F838-L874 HydrophobicContact CE2-CG 4.2Å; F838-L874 HydrophobicContact CZ-CB 4.42Å; F838-L874 HydrophobicContact CZ-CD2 3.38Å; F838-L874 HydrophobicContact CZ-CG 3.7Å; F838-L874 PolarHBondContact N-O 2.89Å; F838-L876 HydrophobicContact CD1-CD2 4.42Å; F838-L876 HydrophobicContact CD1-CG 3.88Å; F838-L876 HydrophobicContact CE1-CD2 3.93Å; F838-L876 HydrophobicContact CE1-CG 3.79Å; F838-V914 HydrophobicContact CE2-CG2 3.87Å; F838-V914 HydrophobicContact CZ-CG2 4.15Å |
| 839 | L | 92.2 | Very high | 89.2 | Confident | 30 Ų | 30 | 60.2 Ų | 60.2 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 144.3 | 177.5 | 176.8 | 67.3 | 0 | 0 | 0 | 109.4 | Y824 V826 I841 L874 V912 | Y824-L839 HydrophobicContact CD1-CD1 4.19Å; Y824-L839 HydrophobicContact CG-CD2 4.28Å; V826-L839 HydrophobicContact CG1-CB 4.49Å; V826-L839 HydrophobicContact CG1-CD2 4.46Å; L839-I841 HydrophobicContact CD2-CG2 3.96Å; L839-I841 HydrophobicContact CG-CG2 4.16Å; L839-L874 HydrophobicContact CB-CB 4.18Å; L839-L874 HydrophobicContact CB-CD2 4.33Å; L839-L874 HydrophobicContact CD2-CD2 4.09Å; L839-L874 WeakPolarHBondContact O-CB 3.18Å; L839-L874 PolarHBondContact O-N 2.75Å; L839-V912 HydrophobicContact CD2-CG1 3.84Å; L839-V912 HydrophobicContact CD2-CG2 4.42Å |
| 840 | Q | 92.1 | Very high | 89.1 | Confident | 122 Ų | 122 | 57.7 Ų | 57.7 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 119.2 | 169.9 | -172.9 | 174.5 | 11.9 | 0 | 0 | 108.5 | T871 G872 E873 | Q840-T871 PolarHBondContact NE2-O 2.86Å; Q840-T871 VanDerWaalsContact NE2-O 3.1Å; Q840-G872 WeakPolarHBondContact CA-O 3.21Å; Q840-E873 HydrophobicContact CG-CG 4.31Å |
| 841 | I | 92.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | trans | -96.8 | 145.8 | 174.7 | 65.3 | 179.4 | 0 | 0 | 0 | 109.6 | F819 Y824 L839 Y854 L867 G872 V896 | F819-I841 HydrophobicContact CD1-CB 4.35Å; F819-I841 HydrophobicContact CE1-CB 4.12Å; F819-I841 HydrophobicContact CE1-CD1 3.65Å; F819-I841 HydrophobicContact CE1-CG1 4.04Å; F819-I841 HydrophobicContact CZ-CD1 4.17Å; Y824-I841 HydrophobicContact CD1-CG2 4.34Å; Y824-I841 HydrophobicContact CD2-CG2 3.91Å; Y824-I841 HydrophobicContact CE1-CG2 4.31Å; Y824-I841 HydrophobicContact CE2-CB 4.26Å; Y824-I841 HydrophobicContact CE2-CG2 3.88Å; Y824-I841 HydrophobicContact CG-CG2 4.15Å; L839-I841 HydrophobicContact CD2-CG2 3.96Å; L839-I841 HydrophobicContact CG-CG2 4.16Å; I841-Y854 HydrophobicContact CD1-CD1 3.96Å; I841-Y854 HydrophobicContact CD1-CG 4.49Å; I841-Y854 HydrophobicContact CG1-CD1 4Å; I841-Y854 HydrophobicContact CG1-CE1 4.3Å; I841-L867 HydrophobicContact CD1-CD1 3.75Å; I841-L867 HydrophobicContact CD1-CD2 3.73Å; I841-L867 HydrophobicContact CD1-CG 4.36Å; I841-L867 HydrophobicContact CG1-CD1 4.02Å; I841-G872 WeakPolarHBondContact CG1-O 3.46Å; I841-G872 PolarHBondContact N-O 3.44Å; I841-G872 WeakPolarHBondContact O-CA 3.28Å; I841-V896 HydrophobicContact CD1-CB 3.99Å; I841-V896 HydrophobicContact CD1-CG1 4.35Å; I841-V896 HydrophobicContact CD1-CG2 3.71Å | ||
| 842 | E | 92.7 | Very high | 89.6 | Confident | 91 Ų | 91 | 58.1 Ų | 58.1 | 43% | 0.425 | 35% | 0.354 | S | S | . | . | trans | -135.4 | 129.6 | 179.8 | -175.3 | -178 | 171.8 | 0 | 0 | 108.4 | F819 T820 Y824 K844 | F819-E842 CarbonylContact C-O 3.52Å; F819-E842 WeakPolarHBondContact CA-O 3.28Å; T820-E842 HydrophobicContact CG2-CB 4.05Å; T820-E842 HydrophobicContact CG2-CG 4.28Å; T820-E842 PolarHBondContact N-O 3.08Å; T820-E842 PolarHBondContact OG1-O 2.69Å; Y824-E842 PolarHBondContact OH-O 2.97Å; E842-K844 WeakPolarHBondContact OE1-CE 3.46Å; E842-K844 IonicContact OE1-NZ 3.04Å; E842-K844 PolarHBondContact OE1-NZ 3.44Å | ||
| 843 | A | 92 | Very high | 89.9 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 5% | 0.05 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 148.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P817 V818 F819 V852 Y854 A898 | P817-A843 HydrophobicContact CB-CB 4.41Å; V818-A843 CarbonylContact O-C 3.59Å; V818-A843 WeakPolarHBondContact O-CA 2.96Å; V818-A843 WeakPolarHBondContact O-CB 3.39Å; F819-A843 HydrophobicContact CD1-CB 3.76Å; F819-A843 HydrophobicContact CE1-CB 4.01Å; F819-A843 HydrophobicContact CG-CB 4.04Å; A843-V852 HydrophobicContact CB-CG1 4.06Å; A843-Y854 HydrophobicContact CB-CE1 3.85Å; A843-Y854 PolarHBondContact N-OH 3.12Å; A843-Y854 PolarHBondContact O-OH 2.76Å; A843-A898 HydrophobicContact CB-CB 3.43Å; A843-A898 VanDerWaalsContact CB-CB 3.43Å |
| 844 | K | 90.5 | Very high | 90.1 | Very high | 131 Ų | 131 | 53.4 Ų | 53.4 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 138.1 | 179.4 | -69.6 | -176.3 | -177.9 | 170.7 | 0 | 110.1 | V818 E842 | V818-K844 PolarHBondContact N-O 3.45Å; V818-K844 PolarHBondContact O-N 2.82Å; E842-K844 WeakPolarHBondContact OE1-CE 3.46Å; E842-K844 IonicContact OE1-NZ 3.04Å; E842-K844 PolarHBondContact OE1-NZ 3.44Å |
| 845 | D | 92.1 | Very high | 90.4 | Very high | 24 Ų | 24 | 56 Ų | 56 | 13% | 0.128 | 32% | 0.32 | C | S | . | . | trans | -116.3 | 136.2 | 172.3 | -165.9 | -33.8 | 0 | 0 | 0 | 107 | P817 D847 A850 V852 | P817-D845 HydrophobicContact CB-CB 4.29Å; P817-D845 VanDerWaalsContact CD-OD2 3.29Å; P817-D845 WeakPolarHBondContact CD-OD2 3.46Å; P817-D845 HydrophobicContact CG-CB 4.16Å; P817-D845 WeakPolarHBondContact CG-OD2 3.32Å; D845-D847 PolarHBondContact OD1-N 3.44Å; D845-D847 VanDerWaalsContact OD1-N 3.12Å; D845-A850 HydrophobicContact CB-CB 3.49Å; D845-A850 VanDerWaalsContact CB-CB 3.49Å; D845-V852 HydrophobicContact CB-CG2 3.84Å | ||
| 846 | V | 90 | Very high | 90.7 | Very high | 88 Ų | 88 | 53.7 Ų | 53.7 | 53% | 0.533 | 29% | 0.294 | S | S | . | . | trans | -92.4 | -11 | -171.9 | -67.7 | 0 | 0 | 0 | 0 | 112.4 | R779 E780 N815 | R779-V846 PolarHBondContact NH2-O 3.25Å; E780-V846 HydrophobicContact CG-CB 4.14Å; E780-V846 HydrophobicContact CG-CG2 3.72Å; N815-V846 HydrophobicContact CB-CG2 3.6Å; N815-V846 WeakPolarHBondContact ND2-CG2 3.47Å | ||
| 847 | D | 92.3 | Very high | 90.9 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 6% | 0.059 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -71.3 | 154.5 | -179.1 | -63.6 | -12.1 | 0 | 0 | 0 | 111.9 | D813 D814 N815 D845 G849 A850 | D813-D847 WeakPolarHBondContact CA-OD2 3.41Å; D814-D847 PolarHBondContact N-OD2 3.34Å; D814-D847 VanDerWaalsContact N-OD2 3.15Å; N815-D847 WeakPolarHBondContact CB-OD1 3.31Å; N815-D847 PolarHBondContact N-OD2 3.13Å; N815-D847 PolarHBondContact ND2-OD1 3.43Å; D845-D847 PolarHBondContact OD1-N 3.44Å; D845-D847 VanDerWaalsContact OD1-N 3.12Å; D847-G849 PolarHBondContact O-N 3.31Å; D847-A850 PolarHBondContact O-N 3.43Å |
| 848 | L | 86.1 | Confident | 90.9 | Very high | 119 Ų | 119 | 54.8 Ų | 54.8 | 62% | 0.623 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 119 | -177.1 | -75.4 | 176.5 | 0 | 0 | 0 | 111.8 | D811 | D811-L848 HydrophobicContact CB-CB 4.14Å; D811-L848 HydrophobicContact CB-CD1 4.02Å; D811-L848 HydrophobicContact CB-CG 4.31Å; D811-L848 PolarHBondContact OD1-N 2.89Å; D811-L848 WeakPolarHBondContact OD2-CB 3.42Å; D811-L848 PolarHBondContact OD2-N 2.78Å; D811-L848 VanDerWaalsContact OD2-N 3.15Å |
| 849 | G | 83.9 | Confident | 90.9 | Very high | 69 Ų | 69 | 57.2 Ų | 57.2 | 71% | 0.711 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | 7.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D847 N851 | D847-G849 PolarHBondContact O-N 3.31Å; G849-N851 PolarHBondContact O-N 2.84Å |
| 850 | A | 85.9 | Confident | 90.8 | Very high | 32 Ų | 32 | 61.1 Ų | 61.1 | 26% | 0.264 | 32% | 0.322 | S | S | . | . | trans | -57 | 130.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D845 D847 | D845-A850 HydrophobicContact CB-CB 3.49Å; D845-A850 VanDerWaalsContact CB-CB 3.49Å; D847-A850 PolarHBondContact O-N 3.43Å | ||
| 851 | N | 89.4 | Confident | 90.7 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 40% | 0.396 | 30% | 0.297 | S | S | . | . | trans | -126.6 | 84.4 | -178.4 | -169.6 | -0.5 | 0 | 0 | 0 | 109.7 | G849 S853 D900 I901 | G849-N851 PolarHBondContact O-N 2.84Å; N851-S853 PolarHBondContact O-N 3.21Å; N851-D900 WeakPolarHBondContact CA-OD1 3.32Å; N851-D900 PolarHBondContact N-OD1 3.41Å; N851-I901 HydrophobicContact CB-CD1 4.42Å; N851-I901 WeakPolarHBondContact O-CG1 3.38Å; N851-I901 PolarHBondContact O-N 2.77Å | ||
| 852 | V | 90.4 | Very high | 90.5 | Very high | 23 Ų | 23 | 60.9 Ų | 60.9 | 14% | 0.139 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 126.9 | -173.3 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | P817 A843 D845 Y854 A898 | P817-V852 HydrophobicContact CB-CG1 4.07Å; P817-V852 HydrophobicContact CB-CG2 4.06Å; P817-V852 HydrophobicContact CG-CG2 4.24Å; A843-V852 HydrophobicContact CB-CG1 4.06Å; D845-V852 HydrophobicContact CB-CG2 3.84Å; V852-Y854 HydrophobicContact CG1-CE1 4.15Å; V852-A898 HydrophobicContact CG1-CB 3.8Å |
| 853 | S | 93 | Very high | 90.3 | Very high | 9 Ų | 9 | 61.6 Ų | 61.6 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 146.1 | 172.2 | -166.5 | 0 | 0 | 0 | 0 | 112 | N851 P869 A898 F899 | N851-S853 PolarHBondContact O-N 3.21Å; S853-P869 CarbonylContact C-O 3.53Å; S853-P869 WeakPolarHBondContact CA-O 3.26Å; S853-P869 PolarHBondContact OG-O 2.99Å; S853-A898 WeakPolarHBondContact O-CA 3.4Å; S853-F899 PolarHBondContact N-O 3.18Å; S853-F899 VanDerWaalsContact O-CD1 3.26Å; S853-F899 WeakPolarHBondContact O-CD1 3.48Å; S853-F899 PolarHBondContact O-N 3.45Å |
| 854 | Y | 94.5 | Very high | 90.1 | Very high | 18 Ų | 18 | 62.7 Ų | 62.7 | 7% | 0.071 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.7 | -174.6 | -54.5 | -81.4 | 0 | 0 | 0 | 111.9 | F819 I841 A843 V852 P869 A898 | F819-Y854 AromaticContact CE1-CD1 3.87Å; F819-Y854 HydrophobicContact CE1-CD1 3.87Å; F819-Y854 AromaticContact CE1-CE1 3.86Å; F819-Y854 HydrophobicContact CE1-CE1 3.86Å; F819-Y854 HydrophobicContact CZ-CD1 4.25Å; I841-Y854 HydrophobicContact CD1-CD1 3.96Å; I841-Y854 HydrophobicContact CD1-CG 4.49Å; I841-Y854 HydrophobicContact CG1-CD1 4Å; I841-Y854 HydrophobicContact CG1-CE1 4.3Å; A843-Y854 HydrophobicContact CB-CE1 3.85Å; A843-Y854 PolarHBondContact N-OH 3.12Å; A843-Y854 PolarHBondContact O-OH 2.76Å; V852-Y854 HydrophobicContact CG1-CE1 4.15Å; Y854-P869 PolarHBondContact N-O 3.3Å; Y854-P869 WeakPolarHBondContact O-CA 3.25Å; Y854-A898 HydrophobicContact CD1-CB 4.01Å; Y854-A898 HydrophobicContact CE1-CB 4.06Å |
| 855 | R | 93.1 | Very high | 90.3 | Very high | 117 Ų | 117 | 56.6 Ų | 56.6 | 44% | 0.442 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 157.7 | 168.9 | 69.5 | -175.3 | -167.7 | -144 | -10 | 112.8 | E897 F899 | R855-E897 HydrophobicContact CG-CG 3.57Å; R855-E897 IonicContact CZ-OE1 2.65Å; R855-E897 PolarHBondContact N-O 2.82Å; R855-E897 IonicContact NE-OE1 3Å; R855-E897 PolarHBondContact NE-OE1 2.74Å; R855-E897 VanDerWaalsContact NH2-CD 3.28Å; R855-E897 IonicContact NH2-OE1 3.54Å; R855-E897 PolarHBondContact NH2-OE1 3.49Å; R855-E897 IonicContact NH2-OE2 3.18Å; R855-E897 PolarHBondContact NH2-OE2 3.36Å; R855-E897 PolarHBondContact O-N 2.74Å; R855-F899 HydrophobicContact CB-CE1 4.27Å; R855-F899 HydrophobicContact CG-CD1 4.23Å; R855-F899 HydrophobicContact CG-CE1 3.79Å |
| 856 | I | 94 | Very high | 90.3 | Very high | 10 Ų | 10 | 56.9 Ų | 56.9 | 5% | 0.051 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 121.8 | 173.2 | -59.7 | 173.9 | 0 | 0 | 0 | 108.1 | S858 V861 K862 F865 L867 L874 F894 V896 | I856-S858 VanDerWaalsContact CG2-O 3.3Å; I856-S858 WeakPolarHBondContact CG2-O 3.14Å; I856-V861 HydrophobicContact CG2-CG2 3.66Å; I856-K862 HydrophobicContact CB-CG 4.36Å; I856-K862 HydrophobicContact CG2-CG 4.21Å; I856-K862 WeakPolarHBondContact O-CE 3.19Å; I856-K862 PolarHBondContact O-NZ 2.91Å; I856-F865 HydrophobicContact CD1-CB 3.95Å; I856-F865 VanDerWaalsContact CD1-O 3.32Å; I856-F865 WeakPolarHBondContact CD1-O 3.48Å; I856-L867 HydrophobicContact CD1-CB 4.13Å; I856-L867 HydrophobicContact CG1-CB 3.78Å; I856-L867 HydrophobicContact CG1-CD2 4.12Å; I856-L874 HydrophobicContact CD1-CD1 4.28Å; I856-F894 HydrophobicContact CG1-CE2 4.45Å; I856-F894 HydrophobicContact CG2-CD2 4.1Å; I856-F894 HydrophobicContact CG2-CE2 4.37Å; I856-V896 HydrophobicContact CG1-CG1 4.45Å |
| 857 | R | 92.2 | Very high | 90.5 | Very high | 123 Ų | 123 | 53.7 Ų | 53.7 | 46% | 0.464 | 29% | 0.287 | S | S | . | . | trans | -77.1 | -50.2 | 178.6 | -173.2 | 179.6 | 179 | -159.5 | 1.5 | 110.5 | P859 L895 E897 | R857-P859 WeakPolarHBondContact O-CD 3.45Å; R857-P859 VanDerWaalsContact O-N 3.17Å; R857-L895 HydrophobicContact CB-CB 4.1Å; R857-L895 WeakPolarHBondContact CB-O 3.5Å; R857-L895 PolarHBondContact N-O 3.35Å; R857-E897 HydrophobicContact CB-CG 4.37Å | ||
| 858 | S | 92.1 | Very high | 90.6 | Very high | 13 Ų | 13 | 57.3 Ų | 57.3 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | trans | -59.4 | 104.3 | 177.1 | -82 | 0 | 0 | 0 | 0 | 112.5 | I856 E860 L895 | I856-S858 VanDerWaalsContact CG2-O 3.3Å; I856-S858 WeakPolarHBondContact CG2-O 3.14Å; S858-E860 VanDerWaalsContact C-N 3.28Å; S858-E860 WeakPolarHBondContact CB-OE1 3.35Å; S858-E860 PolarHBondContact O-N 3.09Å; S858-E860 PolarHBondContact OG-OE1 2.87Å; S858-L895 PolarHBondContact N-O 3.39Å; S858-L895 PolarHBondContact OG-N 3.35Å | ||
| 859 | P | 88.6 | Confident | 90.8 | Very high | 90 Ų | 90 | 54.1 Ų | 54.1 | 58% | 0.584 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -66.7 | -29.6 | -177.7 | 27.8 | -35.4 | 0 | 0 | 0 | 113.2 | R857 V861 K862 | R857-P859 WeakPolarHBondContact O-CD 3.45Å; R857-P859 VanDerWaalsContact O-N 3.17Å; P859-V861 PolarHBondContact O-N 3.36Å; P859-K862 PolarHBondContact O-N 3.3Å |
| 860 | E | 89.1 | Confident | 91.1 | Very high | 113 Ų | 113 | 56.8 Ų | 56.8 | 53% | 0.528 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -59 | -30.5 | -177.6 | 55.4 | -77.7 | 172.1 | 0 | 0 | 113 | S858 H863 | S858-E860 VanDerWaalsContact C-N 3.28Å; S858-E860 WeakPolarHBondContact CB-OE1 3.35Å; S858-E860 PolarHBondContact O-N 3.09Å; S858-E860 PolarHBondContact OG-OE1 2.87Å; E860-H863 PolarHBondContact O-CE1 2.79Å; E860-H863 PolarHBondContact O-ND1 3.42Å |
| 861 | V | 90.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -98.3 | -2.9 | -177.6 | -54.7 | 0 | 0 | 0 | 0 | 114.5 | I856 P859 H863 L864 F865 I892 F894 | I856-V861 HydrophobicContact CG2-CG2 3.66Å; P859-V861 PolarHBondContact O-N 3.36Å; V861-H863 PolarHBondContact O-N 2.86Å; V861-L864 PolarHBondContact O-N 3.24Å; V861-F865 HydrophobicContact CB-CD2 3.89Å; V861-F865 HydrophobicContact CB-CE2 4.25Å; V861-F865 HydrophobicContact CG2-CD2 4.16Å; V861-F865 PolarHBondContact O-N 2.91Å; V861-I892 HydrophobicContact CG1-CG2 3.83Å; V861-F894 HydrophobicContact CB-CB 4.47Å; V861-F894 HydrophobicContact CB-CD1 4.49Å; V861-F894 HydrophobicContact CB-CG 4.43Å; V861-F894 HydrophobicContact CG1-CB 3.92Å; V861-F894 HydrophobicContact CG1-CD1 4.24Å; V861-F894 HydrophobicContact CG1-CG 4.25Å; V861-F894 HydrophobicContact CG2-CB 3.77Å; V861-F894 HydrophobicContact CG2-CD1 4.09Å; V861-F894 HydrophobicContact CG2-CD2 3.76Å; V861-F894 HydrophobicContact CG2-CE2 4.29Å; V861-F894 HydrophobicContact CG2-CG 3.63Å |
| 862 | K | 88.2 | Confident | 91.4 | Very high | 109 Ų | 109 | 54.4 Ų | 54.4 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -16.1 | -176.4 | -71.6 | -175.1 | 178.5 | -179.5 | 0 | 114.5 | I856 P859 L877 | I856-K862 HydrophobicContact CB-CG 4.36Å; I856-K862 HydrophobicContact CG2-CG 4.21Å; I856-K862 WeakPolarHBondContact O-CE 3.19Å; I856-K862 PolarHBondContact O-NZ 2.91Å; P859-K862 PolarHBondContact O-N 3.3Å; K862-L877 VanDerWaalsContact O-CD1 3.28Å; K862-L877 WeakPolarHBondContact O-CD1 3.45Å |
| 863 | H | 88.3 | Confident | 91.6 | Very high | 107 Ų | 107 | 57 Ų | 57 | 50% | 0.495 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -12.8 | 175 | 70 | -81 | 0 | 0 | 0 | 113.1 | E860 V861 | E860-H863 PolarHBondContact O-CE1 2.79Å; E860-H863 PolarHBondContact O-ND1 3.42Å; V861-H863 PolarHBondContact O-N 2.86Å |
| 864 | L | 88.7 | Confident | 91.6 | Very high | 29 Ų | 29 | 56.6 Ų | 56.6 | 15% | 0.152 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -39.4 | -179.4 | -60.3 | 175.2 | 0 | 0 | 0 | 111.9 | V861 L877 L880 I892 | V861-L864 PolarHBondContact O-N 3.24Å; L864-L877 PolarHBondContact O-N 3.05Å; L864-L880 HydrophobicContact CD2-CD2 4.42Å; L864-I892 HydrophobicContact CD1-CD1 4.09Å |
| 865 | F | 93.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 144.2 | -176 | -51.3 | -68.9 | 0 | 0 | 0 | 112.3 | F838 I856 V861 L874 S875 L876 L880 I892 F894 V914 | F838-F865 AromaticContact CE1-CD1 3.82Å; F838-F865 HydrophobicContact CE1-CD1 3.82Å; F838-F865 HydrophobicContact CE1-CE1 4.11Å; F838-F865 AromaticContact CZ-CD1 3.62Å; F838-F865 HydrophobicContact CZ-CD1 3.62Å; F838-F865 AromaticContact CZ-CE1 3.74Å; F838-F865 HydrophobicContact CZ-CE1 3.74Å; I856-F865 HydrophobicContact CD1-CB 3.95Å; I856-F865 VanDerWaalsContact CD1-O 3.32Å; I856-F865 WeakPolarHBondContact CD1-O 3.48Å; V861-F865 HydrophobicContact CB-CD2 3.89Å; V861-F865 HydrophobicContact CB-CE2 4.25Å; V861-F865 HydrophobicContact CG2-CD2 4.16Å; V861-F865 PolarHBondContact O-N 2.91Å; F865-L874 HydrophobicContact CB-CD1 4.25Å; F865-S875 CarbonylContact C-O 3.57Å; F865-S875 WeakPolarHBondContact CA-O 3.17Å; F865-L876 HydrophobicContact CD1-CD2 3.85Å; F865-L876 HydrophobicContact CE1-CD2 3.56Å; F865-L880 HydrophobicContact CE1-CD1 4.23Å; F865-L880 HydrophobicContact CZ-CD1 4.24Å; F865-I892 HydrophobicContact CE2-CB 4.47Å; F865-I892 HydrophobicContact CE2-CD1 4.13Å; F865-I892 HydrophobicContact CE2-CG2 4.08Å; F865-I892 HydrophobicContact CZ-CD1 3.88Å; F865-F894 HydrophobicContact CB-CZ 4.47Å; F865-F894 HydrophobicContact CD2-CD1 4.21Å; F865-F894 AromaticContact CD2-CE1 3.51Å; F865-F894 HydrophobicContact CD2-CE1 3.51Å; F865-F894 AromaticContact CD2-CZ 3.73Å; F865-F894 HydrophobicContact CD2-CZ 3.73Å; F865-F894 HydrophobicContact CE2-CD1 4.09Å; F865-F894 AromaticContact CE2-CE1 3.51Å; F865-F894 HydrophobicContact CE2-CE1 3.51Å; F865-F894 HydrophobicContact CE2-CZ 4.19Å; F865-F894 HydrophobicContact CG-CE1 4.27Å; F865-F894 HydrophobicContact CG-CZ 4.14Å; F865-F894 HydrophobicContact CZ-CE1 4.24Å; F865-V914 HydrophobicContact CE1-CG1 4.38Å; F865-V914 HydrophobicContact CE1-CG2 4.21Å; F865-V914 HydrophobicContact CZ-CB 4.2Å; F865-V914 HydrophobicContact CZ-CG1 4.25Å; F865-V914 HydrophobicContact CZ-CG2 3.97Å |
| 866 | A | 92.4 | Very high | 91.5 | Very high | 31 Ų | 31 | 51.4 Ų | 51.4 | 26% | 0.256 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110 | L874 S875 L877 | A866-L874 WeakPolarHBondContact O-CA 3.32Å; A866-S875 PolarHBondContact N-O 3.41Å; A866-S875 PolarHBondContact O-N 3.1Å; A866-S875 PolarHBondContact O-OG 2.74Å; A866-L877 HydrophobicContact CB-CD1 4.01Å; A866-L877 HydrophobicContact CB-CD2 3.87Å; A866-L877 HydrophobicContact CB-CG 3.79Å |
| 867 | L | 94.3 | Very high | 91.2 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.9 | 178 | 179.6 | 56.4 | 0 | 0 | 0 | 109.1 | I841 I856 E873 L874 V896 | I841-L867 HydrophobicContact CD1-CD1 3.75Å; I841-L867 HydrophobicContact CD1-CD2 3.73Å; I841-L867 HydrophobicContact CD1-CG 4.36Å; I841-L867 HydrophobicContact CG1-CD1 4.02Å; I856-L867 HydrophobicContact CD1-CB 4.13Å; I856-L867 HydrophobicContact CG1-CB 3.78Å; I856-L867 HydrophobicContact CG1-CD2 4.12Å; L867-E873 WeakPolarHBondContact CA-O 3.25Å; L867-L874 HydrophobicContact CB-CD1 3.92Å; L867-L874 HydrophobicContact CD1-CB 4.3Å; L867-L874 HydrophobicContact CD1-CD1 4.08Å; L867-L874 HydrophobicContact CG-CD1 4.46Å; L867-V896 HydrophobicContact CD2-CB 4.17Å; L867-V896 HydrophobicContact CD2-CG1 3.94Å |
| 868 | H | 93.5 | Very high | 91 | Very high | 87 Ų | 87 | 56.7 Ų | 56.7 | 40% | 0.403 | 29% | 0.285 | S | S | . | . | trans | -74.3 | 124 | -179 | -172.3 | -87.7 | 0 | 0 | 0 | 110.7 | F870 T871 G872 E873 | H868-F870 PolarHBondContact ND1-N 2.96Å; H868-F870 PolarHBondContact O-N 2.83Å; H868-T871 VanDerWaalsContact CB-OG1 3.26Å; H868-T871 WeakPolarHBondContact CB-OG1 3.47Å; H868-T871 PolarHBondContact ND1-N 3.23Å; H868-T871 PolarHBondContact ND1-OG1 3.09Å; H868-G872 PolarHBondContact O-N 2.76Å; H868-G872 VanDerWaalsContact O-N 3.11Å; H868-E873 HydrophobicContact CB-CB 4.39Å; H868-E873 PolarHBondContact N-O 2.77Å | ||
| 869 | P | 91.7 | Very high | 90.7 | Very high | 52 Ų | 52 | 58.9 Ų | 58.9 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -15.7 | -164.2 | 25 | -34.6 | 0 | 0 | 0 | 115 | S853 Y854 | S853-P869 CarbonylContact C-O 3.53Å; S853-P869 WeakPolarHBondContact CA-O 3.26Å; S853-P869 PolarHBondContact OG-O 2.99Å; Y854-P869 PolarHBondContact N-O 3.3Å; Y854-P869 WeakPolarHBondContact O-CA 3.25Å |
| 870 | F | 89.9 | Confident | 90.8 | Very high | 125 Ų | 125 | 55 Ų | 55 | 55% | 0.548 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -18.3 | -178 | -57.6 | -73.2 | 0 | 0 | 0 | 114.4 | H868 I901 | H868-F870 PolarHBondContact ND1-N 2.96Å; H868-F870 PolarHBondContact O-N 2.83Å; F870-I901 HydrophobicContact CE1-CD1 3.92Å |
| 871 | T | 90.8 | Very high | 90.6 | Very high | 55 Ų | 55 | 52.9 Ų | 52.9 | 34% | 0.337 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -15 | -177.4 | 60.3 | 0 | 0 | 0 | 0 | 112.4 | Q840 H868 E873 | Q840-T871 PolarHBondContact NE2-O 2.86Å; Q840-T871 VanDerWaalsContact NE2-O 3.1Å; H868-T871 VanDerWaalsContact CB-OG1 3.26Å; H868-T871 WeakPolarHBondContact CB-OG1 3.47Å; H868-T871 PolarHBondContact ND1-N 3.23Å; H868-T871 PolarHBondContact ND1-OG1 3.09Å; T871-E873 PolarHBondContact O-N 3.06Å |
| 872 | G | 91 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | 70.2 | 12.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q840 I841 H868 L874 | Q840-G872 WeakPolarHBondContact CA-O 3.21Å; I841-G872 WeakPolarHBondContact CG1-O 3.46Å; I841-G872 PolarHBondContact N-O 3.44Å; I841-G872 WeakPolarHBondContact O-CA 3.28Å; H868-G872 PolarHBondContact O-N 2.76Å; H868-G872 VanDerWaalsContact O-N 3.11Å; G872-L874 PolarHBondContact O-N 2.8Å | ||
| 873 | E | 93.8 | Very high | 89.8 | Confident | 79 Ų | 79 | 51.9 Ų | 51.9 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 121.9 | 176.3 | -72.5 | -177 | -155.9 | 0 | 0 | 111 | S837 Q840 L867 H868 T871 | S837-E873 PolarHBondContact OG-OE2 3.38Å; Q840-E873 HydrophobicContact CG-CG 4.31Å; L867-E873 WeakPolarHBondContact CA-O 3.25Å; H868-E873 HydrophobicContact CB-CB 4.39Å; H868-E873 PolarHBondContact N-O 2.77Å; T871-E873 PolarHBondContact O-N 3.06Å |
| 874 | L | 93.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124.6 | 175.1 | -167.1 | 75.6 | 0 | 0 | 0 | 109.1 | S837 F838 L839 I856 F865 A866 L867 G872 F894 V912 | S837-L874 WeakPolarHBondContact CA-O 3.07Å; F838-L874 HydrophobicContact CE1-CD2 4.35Å; F838-L874 HydrophobicContact CE1-CG 4.22Å; F838-L874 HydrophobicContact CE2-CD2 3.51Å; F838-L874 HydrophobicContact CE2-CG 4.2Å; F838-L874 HydrophobicContact CZ-CB 4.42Å; F838-L874 HydrophobicContact CZ-CD2 3.38Å; F838-L874 HydrophobicContact CZ-CG 3.7Å; F838-L874 PolarHBondContact N-O 2.89Å; L839-L874 HydrophobicContact CB-CB 4.18Å; L839-L874 HydrophobicContact CB-CD2 4.33Å; L839-L874 HydrophobicContact CD2-CD2 4.09Å; L839-L874 WeakPolarHBondContact O-CB 3.18Å; L839-L874 PolarHBondContact O-N 2.75Å; I856-L874 HydrophobicContact CD1-CD1 4.28Å; F865-L874 HydrophobicContact CB-CD1 4.25Å; A866-L874 WeakPolarHBondContact O-CA 3.32Å; L867-L874 HydrophobicContact CB-CD1 3.92Å; L867-L874 HydrophobicContact CD1-CB 4.3Å; L867-L874 HydrophobicContact CD1-CD1 4.08Å; L867-L874 HydrophobicContact CG-CD1 4.46Å; G872-L874 PolarHBondContact O-N 2.8Å; L874-F894 HydrophobicContact CD1-CE2 4.4Å; L874-F894 HydrophobicContact CD1-CZ 4.25Å; L874-F894 HydrophobicContact CD2-CZ 3.86Å; L874-V912 HydrophobicContact CD2-CG1 4.02Å |
| 875 | S | 93 | Very high | 89 | Confident | 24 Ų | 24 | 51 Ų | 51 | 17% | 0.168 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 153.6 | -173.2 | 60.8 | 0 | 0 | 0 | 0 | 112.4 | T836 F865 A866 | T836-S875 CarbonylContact O-C 3.55Å; T836-S875 WeakPolarHBondContact O-CA 3.16Å; F865-S875 CarbonylContact C-O 3.57Å; F865-S875 WeakPolarHBondContact CA-O 3.17Å; A866-S875 PolarHBondContact N-O 3.41Å; A866-S875 PolarHBondContact O-N 3.1Å; A866-S875 PolarHBondContact O-OG 2.74Å |
| 876 | L | 91.7 | Very high | 88 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 128.6 | 176.8 | -70.1 | 168.3 | 0 | 0 | 0 | 110.8 | V828 L832 G835 T836 F838 F865 L880 | V828-L876 HydrophobicContact CG1-CD1 4.06Å; L832-L876 HydrophobicContact CB-CD1 3.73Å; G835-L876 WeakPolarHBondContact CA-O 3.34Å; G835-L876 PolarHBondContact N-O 2.95Å; T836-L876 PolarHBondContact O-N 3.36Å; F838-L876 HydrophobicContact CD1-CD2 4.42Å; F838-L876 HydrophobicContact CD1-CG 3.88Å; F838-L876 HydrophobicContact CE1-CD2 3.93Å; F838-L876 HydrophobicContact CE1-CG 3.79Å; F865-L876 HydrophobicContact CD1-CD2 3.85Å; F865-L876 HydrophobicContact CE1-CD2 3.56Å; L876-L880 HydrophobicContact CD2-CD1 3.99Å; L876-L880 HydrophobicContact CD2-CG 4.05Å |
| 877 | L | 89.1 | Confident | 86.8 | Confident | 91 Ų | 91 | 61.1 Ų | 61.1 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -87.9 | -26.8 | 168.3 | -72.1 | 168.6 | 0 | 0 | 0 | 112.3 | A834 K862 L864 A866 | A834-L877 WeakPolarHBondContact CB-O 2.88Å; K862-L877 VanDerWaalsContact O-CD1 3.28Å; K862-L877 WeakPolarHBondContact O-CD1 3.45Å; L864-L877 PolarHBondContact O-N 3.05Å; A866-L877 HydrophobicContact CB-CD1 4.01Å; A866-L877 HydrophobicContact CB-CD2 3.87Å; A866-L877 HydrophobicContact CB-CG 3.79Å |
| 878 | R | 87.1 | Confident | 85.4 | Confident | 153 Ų | 153 | 65.8 Ų | 65.8 | 58% | 0.577 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -138.1 | 147.1 | 177.7 | -168.6 | -177.7 | -69.2 | -165.6 | -0.8 | 108.4 | ||
| 879 | S | 86.6 | Confident | 84.4 | Confident | 58 Ų | 58 | 68.7 Ų | 68.7 | 41% | 0.406 | 36% | 0.358 | S | S | . | . | trans | -62.1 | 142.9 | 168.7 | 51.2 | 0 | 0 | 0 | 0 | 110.1 | L832 | L832-S879 WeakPolarHBondContact O-CB 3.24Š| ||
| 880 | L | 89.1 | Confident | 84 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | trans | -92.7 | 153.5 | 173.1 | -57.4 | 176.4 | 0 | 0 | 0 | 109.1 | V828 N831 L864 F865 L876 I892 V914 V916 | V828-L880 HydrophobicContact CG1-CD1 4.43Å; N831-L880 PolarHBondContact N-O 3.1Å; L864-L880 HydrophobicContact CD2-CD2 4.42Å; F865-L880 HydrophobicContact CE1-CD1 4.23Å; F865-L880 HydrophobicContact CZ-CD1 4.24Å; L876-L880 HydrophobicContact CD2-CD1 3.99Å; L876-L880 HydrophobicContact CD2-CG 4.05Å; L880-I892 HydrophobicContact CD1-CD1 4.38Å; L880-I892 HydrophobicContact CD2-CD1 4.14Å; L880-V914 HydrophobicContact CD1-CG1 4.28Å; L880-V916 HydrophobicContact CB-CG1 4.28Å; L880-V916 HydrophobicContact CB-CG2 4.2Å; L880-V916 HydrophobicContact CD1-CG2 3.71Å | ||
| 881 | D | 85.5 | Confident | 84 | Confident | 68 Ų | 68 | 63.3 Ų | 63.3 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | trans | -132.2 | 118.2 | -173.3 | -173.1 | 49.3 | 0 | 0 | 0 | 106.4 | A884 F885 | D881-A884 HydrophobicContact CB-CB 4.11Å; D881-F885 VanDerWaalsContact O-CD2 3.28Å; D881-F885 WeakPolarHBondContact O-CD2 3.12Å; D881-F885 VanDerWaalsContact O-CE2 3.29Å; D881-F885 WeakPolarHBondContact O-CE2 3.41Å | ||
| 882 | Y | 83.3 | Confident | 84 | Confident | 36 Ų | 36 | 61.7 Ų | 61.7 | 14% | 0.141 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -69.3 | -38.2 | -172.1 | -178.3 | -92.9 | 0 | 0 | 0 | 111.1 | E830 A884 F885 A890 V916 D918 | E830-Y882 VanDerWaalsContact OE2-CB 3.26Å; E830-Y882 WeakPolarHBondContact OE2-CB 3.47Å; E830-Y882 PolarHBondContact OE2-N 3.27Å; Y882-A884 PolarHBondContact O-N 3.25Å; Y882-F885 WeakPolarHBondContact O-CD2 3.31Å; Y882-F885 PolarHBondContact O-N 2.79Å; Y882-A890 HydrophobicContact CD2-CB 3.3Å; Y882-A890 HydrophobicContact CE2-CB 3.27Å; Y882-A890 HydrophobicContact CG-CB 4.2Å; Y882-V916 HydrophobicContact CD2-CB 4.41Å; Y882-V916 HydrophobicContact CD2-CG1 4.29Å; Y882-V916 WeakPolarHBondContact CD2-O 3.5Å; Y882-V916 WeakPolarHBondContact CE2-O 3.33Å; Y882-D918 HydrophobicContact CD1-CB 3.72Å; Y882-D918 HydrophobicContact CD2-CB 3.82Å; Y882-D918 HydrophobicContact CE1-CB 3.77Å; Y882-D918 HydrophobicContact CE2-CB 3.86Å; Y882-D918 HydrophobicContact CG-CB 3.77Å |
| 883 | E | 79.2 | Confident | 84.1 | Confident | 60 Ų | 60 | 66.1 Ų | 66.1 | 28% | 0.28 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -69.8 | -15 | -178.1 | -69.2 | 60.3 | -125.9 | 0 | 0 | 113.1 | F885 Y922 | E883-F885 VanDerWaalsContact C-N 3.27Å; E883-F885 PolarHBondContact O-N 2.9Å; E883-Y922 HydrophobicContact CG-CE2 3.94Å |
| 884 | A | 79.9 | Confident | 84.1 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 59% | 0.587 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -77.2 | -11 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D881 Y882 | D881-A884 HydrophobicContact CB-CB 4.11Å; Y882-A884 PolarHBondContact O-N 3.25Å |
| 885 | F | 80.4 | Confident | 84.2 | Confident | 47 Ų | 47 | 65 Ų | 65 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -87.6 | 131.5 | -178.2 | -70.7 | -96 | 0 | 0 | 0 | 112.3 | D881 Y882 E883 A890 I892 V916 | D881-F885 VanDerWaalsContact O-CD2 3.28Å; D881-F885 WeakPolarHBondContact O-CD2 3.12Å; D881-F885 VanDerWaalsContact O-CE2 3.29Å; D881-F885 WeakPolarHBondContact O-CE2 3.41Å; Y882-F885 WeakPolarHBondContact O-CD2 3.31Å; Y882-F885 PolarHBondContact O-N 2.79Å; E883-F885 VanDerWaalsContact C-N 3.27Å; E883-F885 PolarHBondContact O-N 2.9Å; F885-A890 HydrophobicContact CB-CB 4.08Å; F885-A890 HydrophobicContact CD1-CB 4.45Å; F885-A890 HydrophobicContact CD2-CB 3.82Å; F885-A890 HydrophobicContact CE2-CB 4.33Å; F885-A890 HydrophobicContact CG-CB 3.87Å; F885-I892 HydrophobicContact CE1-CD1 4.13Å; F885-I892 HydrophobicContact CE1-CG1 3.63Å; F885-I892 HydrophobicContact CZ-CD1 3.78Å; F885-I892 HydrophobicContact CZ-CG1 3.78Å; F885-V916 HydrophobicContact CE2-CB 4.38Å; F885-V916 HydrophobicContact CE2-CG2 3.87Å; F885-V916 HydrophobicContact CZ-CG2 3.86Å |
| 886 | P | 72.4 | Confident | 84.2 | Confident | 96 Ų | 96 | 63.9 Ų | 63.9 | 62% | 0.623 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -67.2 | 148 | 174.5 | 23.6 | -25.8 | 0 | 0 | 0 | 111.5 | Q888 E889 | P886-Q888 PolarHBondContact O-N 3.17Å; P886-E889 PolarHBondContact O-N 2.91Å |
| 887 | D | 67.1 | Low | 84.4 | Confident | 149 Ų | 149 | 64.4 Ų | 64.4 | 80% | 0.797 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | 58.4 | 19.2 | 173 | -53.4 | -42.5 | 0 | 0 | 0 | 116.1 | E889 | D887-E889 PolarHBondContact O-N 3.36Š|
| 888 | Q | 64.4 | Low | 84.6 | Confident | 120 Ų | 120 | 60.1 Ų | 60.1 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | 61.9 | 15.1 | -177.2 | -50.1 | -176.7 | -63.3 | 0 | 0 | 114.2 | P886 A890 | P886-Q888 PolarHBondContact O-N 3.17Å; Q888-A890 VanDerWaalsContact C-N 3.33Å; Q888-A890 PolarHBondContact O-N 2.73Å; Q888-A890 VanDerWaalsContact O-N 3.17Å |
| 889 | E | 73.2 | Confident | 84.8 | Confident | 148 Ų | 148 | 55.3 Ų | 55.3 | 69% | 0.692 | 31% | 0.305 | S | S | * | . | trans | -87.6 | 70.5 | 173 | -71.3 | -171.1 | 173.5 | 0 | 0 | 110.6 | P886 D887 S891 | P886-E889 PolarHBondContact O-N 2.91Å; D887-E889 PolarHBondContact O-N 3.36Å; E889-S891 PolarHBondContact O-N 3.43Å | ||
| 890 | A | 83.9 | Confident | 85 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | trans | -78.1 | 57.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y882 F885 Q888 V916 | Y882-A890 HydrophobicContact CD2-CB 3.3Å; Y882-A890 HydrophobicContact CE2-CB 3.27Å; Y882-A890 HydrophobicContact CG-CB 4.2Å; F885-A890 HydrophobicContact CB-CB 4.08Å; F885-A890 HydrophobicContact CD1-CB 4.45Å; F885-A890 HydrophobicContact CD2-CB 3.82Å; F885-A890 HydrophobicContact CE2-CB 4.33Å; F885-A890 HydrophobicContact CG-CB 3.87Å; Q888-A890 VanDerWaalsContact C-N 3.33Å; Q888-A890 PolarHBondContact O-N 2.73Å; Q888-A890 VanDerWaalsContact O-N 3.17Å; A890-V916 HydrophobicContact CB-CB 3.98Å; A890-V916 PolarHBondContact O-N 3.41Å | ||
| 891 | S | 89.3 | Confident | 85 | Confident | 56 Ų | 56 | 56.2 Ų | 56.2 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135.2 | 176.6 | 75.1 | 0 | 0 | 0 | 0 | 111.8 | E889 V914 | E889-S891 PolarHBondContact O-N 3.43Å; S891-V914 CarbonylContact C-O 3.59Å; S891-V914 VanDerWaalsContact CA-O 3.32Å; S891-V914 WeakPolarHBondContact CA-O 3.42Å |
| 892 | I | 90.5 | Very high | 84.9 | Confident | 22 Ų | 22 | 62 Ų | 62 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 117.8 | 176.3 | -54.6 | 167.1 | 0 | 0 | 0 | 108.1 | V861 L864 F865 L880 F885 F894 T913 V914 | V861-I892 HydrophobicContact CG1-CG2 3.83Å; L864-I892 HydrophobicContact CD1-CD1 4.09Å; F865-I892 HydrophobicContact CE2-CB 4.47Å; F865-I892 HydrophobicContact CE2-CD1 4.13Å; F865-I892 HydrophobicContact CE2-CG2 4.08Å; F865-I892 HydrophobicContact CZ-CD1 3.88Å; L880-I892 HydrophobicContact CD1-CD1 4.38Å; L880-I892 HydrophobicContact CD2-CD1 4.14Å; F885-I892 HydrophobicContact CE1-CD1 4.13Å; F885-I892 HydrophobicContact CE1-CG1 3.63Å; F885-I892 HydrophobicContact CZ-CD1 3.78Å; F885-I892 HydrophobicContact CZ-CG1 3.78Å; I892-F894 HydrophobicContact CG2-CD1 4.17Å; I892-T913 WeakPolarHBondContact O-CA 3.2Å; I892-V914 PolarHBondContact N-O 3.37Å; I892-V914 PolarHBondContact O-N 3.13Å |
| 893 | T | 92.1 | Very high | 84.9 | Confident | 93 Ų | 93 | 61.5 Ų | 61.5 | 57% | 0.571 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132.5 | 175.1 | 53.4 | 0 | 0 | 0 | 0 | 110.1 | V912 T913 | T893-V912 WeakPolarHBondContact CA-O 3.3Å; T893-T913 HydrophobicContact CG2-CG2 3.68Å |
| 894 | F | 94.1 | Very high | 85.1 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 2% | 0.022 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 165.7 | 178 | 64.5 | -90.3 | 0 | 0 | 0 | 112.3 | I856 V861 F865 L874 I892 V896 V912 V914 | I856-F894 HydrophobicContact CG1-CE2 4.45Å; I856-F894 HydrophobicContact CG2-CD2 4.1Å; I856-F894 HydrophobicContact CG2-CE2 4.37Å; V861-F894 HydrophobicContact CB-CB 4.47Å; V861-F894 HydrophobicContact CB-CD1 4.49Å; V861-F894 HydrophobicContact CB-CG 4.43Å; V861-F894 HydrophobicContact CG1-CB 3.92Å; V861-F894 HydrophobicContact CG1-CD1 4.24Å; V861-F894 HydrophobicContact CG1-CG 4.25Å; V861-F894 HydrophobicContact CG2-CB 3.77Å; V861-F894 HydrophobicContact CG2-CD1 4.09Å; V861-F894 HydrophobicContact CG2-CD2 3.76Å; V861-F894 HydrophobicContact CG2-CE2 4.29Å; V861-F894 HydrophobicContact CG2-CG 3.63Å; F865-F894 HydrophobicContact CB-CZ 4.47Å; F865-F894 HydrophobicContact CD2-CD1 4.21Å; F865-F894 AromaticContact CD2-CE1 3.51Å; F865-F894 HydrophobicContact CD2-CE1 3.51Å; F865-F894 AromaticContact CD2-CZ 3.73Å; F865-F894 HydrophobicContact CD2-CZ 3.73Å; F865-F894 HydrophobicContact CE2-CD1 4.09Å; F865-F894 AromaticContact CE2-CE1 3.51Å; F865-F894 HydrophobicContact CE2-CE1 3.51Å; F865-F894 HydrophobicContact CE2-CZ 4.19Å; F865-F894 HydrophobicContact CG-CE1 4.27Å; F865-F894 HydrophobicContact CG-CZ 4.14Å; F865-F894 HydrophobicContact CZ-CE1 4.24Å; L874-F894 HydrophobicContact CD1-CE2 4.4Å; L874-F894 HydrophobicContact CD1-CZ 4.25Å; L874-F894 HydrophobicContact CD2-CZ 3.86Å; I892-F894 HydrophobicContact CG2-CD1 4.17Å; F894-V896 HydrophobicContact CD2-CG1 4.1Å; F894-V896 HydrophobicContact CE2-CG1 3.68Å; F894-V912 HydrophobicContact CD1-CB 4.5Å; F894-V912 HydrophobicContact CD2-CB 4.4Å; F894-V912 HydrophobicContact CE1-CB 4.15Å; F894-V912 HydrophobicContact CE1-CG1 4.04Å; F894-V912 HydrophobicContact CE2-CB 4.03Å; F894-V912 HydrophobicContact CE2-CG1 4.46Å; F894-V912 HydrophobicContact CE2-CG2 4.37Å; F894-V912 HydrophobicContact CZ-CB 3.91Å; F894-V912 HydrophobicContact CZ-CG1 3.87Å; F894-V912 PolarHBondContact N-O 2.88Å; F894-V912 PolarHBondContact O-N 3Å; F894-V914 HydrophobicContact CE1-CG2 3.89Å |
| 895 | L | 95.7 | Very high | 85.6 | Confident | 50 Ų | 50 | 64.6 Ų | 64.6 | 26% | 0.262 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 134.4 | -178.5 | -62.6 | 178.3 | 0 | 0 | 0 | 112 | R857 S858 I909 T911 | R857-L895 HydrophobicContact CB-CB 4.1Å; R857-L895 WeakPolarHBondContact CB-O 3.5Å; R857-L895 PolarHBondContact N-O 3.35Å; S858-L895 PolarHBondContact N-O 3.39Å; S858-L895 PolarHBondContact OG-N 3.35Å; L895-I909 HydrophobicContact CB-CG2 4.33Å; L895-I909 HydrophobicContact CD1-CG2 4.37Å; L895-I909 HydrophobicContact CD2-CG2 3.91Å; L895-I909 HydrophobicContact CG-CG2 4.44Å; L895-T911 HydrophobicContact CD2-CG2 3.4Å |
| 896 | V | 94.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 148.9 | 166.6 | -62.4 | 0 | 0 | 0 | 0 | 109.2 | F819 I841 I856 L867 F894 I909 A910 V912 | F819-V896 HydrophobicContact CE1-CG2 4.38Å; F819-V896 HydrophobicContact CE2-CG2 4.47Å; F819-V896 HydrophobicContact CZ-CG2 3.98Å; I841-V896 HydrophobicContact CD1-CB 3.99Å; I841-V896 HydrophobicContact CD1-CG1 4.35Å; I841-V896 HydrophobicContact CD1-CG2 3.71Å; I856-V896 HydrophobicContact CG1-CG1 4.45Å; L867-V896 HydrophobicContact CD2-CB 4.17Å; L867-V896 HydrophobicContact CD2-CG1 3.94Å; F894-V896 HydrophobicContact CD2-CG1 4.1Å; F894-V896 HydrophobicContact CE2-CG1 3.68Å; V896-I909 WeakPolarHBondContact O-CA 3.21Å; V896-A910 HydrophobicContact CG2-CB 3.99Å; V896-A910 WeakPolarHBondContact CG2-O 3.14Å; V896-A910 PolarHBondContact N-O 3.24Å; V896-A910 PolarHBondContact O-N 2.79Å; V896-V912 HydrophobicContact CB-CG2 4.46Å; V896-V912 HydrophobicContact CG1-CG2 3.82Å; V896-V912 HydrophobicContact CG2-CG2 3.78Å |
| 897 | E | 94.3 | Very high | 87 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 7% | 0.065 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142 | 177.9 | 70.8 | -168 | 150.5 | 0 | 0 | 111.7 | R855 R857 P907 G908 I909 | R855-E897 HydrophobicContact CG-CG 3.57Å; R855-E897 IonicContact CZ-OE1 2.65Å; R855-E897 PolarHBondContact N-O 2.82Å; R855-E897 IonicContact NE-OE1 3Å; R855-E897 PolarHBondContact NE-OE1 2.74Å; R855-E897 VanDerWaalsContact NH2-CD 3.28Å; R855-E897 IonicContact NH2-OE1 3.54Å; R855-E897 PolarHBondContact NH2-OE1 3.49Å; R855-E897 IonicContact NH2-OE2 3.18Å; R855-E897 PolarHBondContact NH2-OE2 3.36Å; R855-E897 PolarHBondContact O-N 2.74Å; R857-E897 HydrophobicContact CB-CG 4.37Å; E897-P907 HydrophobicContact CB-CB 4.23Å; E897-G908 CarbonylContact C-O 3.54Å; E897-G908 WeakPolarHBondContact CA-O 2.96Å; E897-G908 WeakPolarHBondContact CB-O 3.35Å; E897-I909 HydrophobicContact CB-CG1 4.42Å |
| 898 | A | 93.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | P817 F819 A843 V852 S853 Y854 P907 G908 | P817-A898 HydrophobicContact CB-CB 4.07Å; F819-A898 HydrophobicContact CD2-CB 4.38Å; F819-A898 HydrophobicContact CE1-CB 3.9Å; F819-A898 HydrophobicContact CE2-CB 3.66Å; F819-A898 HydrophobicContact CZ-CB 3.38Å; A843-A898 HydrophobicContact CB-CB 3.43Å; A843-A898 VanDerWaalsContact CB-CB 3.43Å; V852-A898 HydrophobicContact CG1-CB 3.8Å; S853-A898 WeakPolarHBondContact O-CA 3.4Å; Y854-A898 HydrophobicContact CD1-CB 4.01Å; Y854-A898 HydrophobicContact CE1-CB 4.06Å; A898-P907 CarbonylContact O-C 3.55Å; A898-P907 VanDerWaalsContact O-CA 3.26Å; A898-P907 WeakPolarHBondContact O-CA 3.41Å; A898-P907 WeakPolarHBondContact O-CB 3.4Å; A898-G908 PolarHBondContact N-O 3.37Å; A898-G908 PolarHBondContact O-N 2.85Å |
| 899 | F | 92.5 | Very high | 89.6 | Confident | 52 Ų | 52 | 55.3 Ų | 55.3 | 23% | 0.228 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142.6 | -177 | 64.8 | -82.8 | 0 | 0 | 0 | 109.4 | S853 R855 P907 | S853-F899 PolarHBondContact N-O 3.18Å; S853-F899 VanDerWaalsContact O-CD1 3.26Å; S853-F899 WeakPolarHBondContact O-CD1 3.48Å; S853-F899 PolarHBondContact O-N 3.45Å; R855-F899 HydrophobicContact CB-CE1 4.27Å; R855-F899 HydrophobicContact CG-CD1 4.23Å; R855-F899 HydrophobicContact CG-CE1 3.79Å; F899-P907 HydrophobicContact CB-CB 3.85Å |
| 900 | D | 90.8 | Very high | 90.6 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 11% | 0.107 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 137.7 | 167.5 | -175.8 | 21.6 | 0 | 0 | 0 | 109.7 | P817 N851 Y902 G903 | P817-D900 HydrophobicContact CG-CB 4.44Å; N851-D900 WeakPolarHBondContact CA-OD1 3.32Å; N851-D900 PolarHBondContact N-OD1 3.41Å; D900-Y902 VanDerWaalsContact C-N 3.3Å; D900-Y902 PolarHBondContact O-N 3.07Å; D900-G903 WeakPolarHBondContact OD2-CA 3.45Å; D900-G903 PolarHBondContact OD2-N 3.26Å |
| 901 | I | 87.3 | Confident | 91.1 | Very high | 67 Ų | 67 | 50.5 Ų | 50.5 | 34% | 0.344 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -68.8 | -32.7 | -177.6 | -64.3 | 165.5 | 0 | 0 | 0 | 111.2 | N851 F870 | N851-I901 HydrophobicContact CB-CD1 4.42Å; N851-I901 WeakPolarHBondContact O-CG1 3.38Å; N851-I901 PolarHBondContact O-N 2.77Å; F870-I901 HydrophobicContact CE1-CD1 3.92Å |
| 902 | Y | 84.2 | Confident | 91.3 | Very high | 190 Ų | 190 | 47.9 Ų | 47.9 | 75% | 0.745 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -108.9 | -14 | -178.8 | -58.6 | -65.7 | 0 | 0 | 0 | 113.7 | D900 | D900-Y902 VanDerWaalsContact C-N 3.3Å; D900-Y902 PolarHBondContact O-N 3.07Å |
| 903 | G | 82.9 | Confident | 91.4 | Very high | 25 Ų | 25 | 48.3 Ų | 48.3 | 26% | 0.258 | 27% | 0.266 | S | S | . | . | trans | -66.4 | 159.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D813 D900 | D813-G903 VanDerWaalsContact OD1-CA 3.31Å; D813-G903 WeakPolarHBondContact OD1-CA 3.37Å; D900-G903 WeakPolarHBondContact OD2-CA 3.45Å; D900-G903 PolarHBondContact OD2-N 3.26Å | ||
| 904 | T | 84.5 | Confident | 91.4 | Very high | 124 Ų | 124 | 43.9 Ų | 43.9 | 76% | 0.761 | 24% | 0.239 | S | C | * | . | trans | -111.2 | -17.3 | 178 | 63.1 | 0 | 0 | 0 | 0 | 112.3 | D813 | D813-T904 VanDerWaalsContact OD2-CA 3.28Å; D813-T904 WeakPolarHBondContact OD2-CA 3.47Å; D813-T904 WeakPolarHBondContact OD2-CB 3.3Å; D813-T904 PolarHBondContact OD2-N 3.41Å; D813-T904 PolarHBondContact OD2-OG1 3.22Å | ||
| 905 | M | 90.3 | Very high | 91.2 | Very high | 72 Ų | 72 | 47 Ų | 47 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -65.3 | 151.9 | 176.1 | -71.5 | -61.1 | -72.2 | 0 | 0 | 112.8 | D813 D814 N815 | D813-M905 VanDerWaalsContact O-CG 3.23Å; D813-M905 WeakPolarHBondContact O-CG 3.44Å; D813-M905 PolarHBondContact OD2-N 3.09Å; D814-M905 WeakPolarHBondContact O-CE 3.38Å; N815-M905 WeakPolarHBondContact O-CB 3.5Å |
| 906 | P | 90.5 | Very high | 90.8 | Very high | 79 Ų | 79 | 44.8 Ų | 44.8 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -58 | 151 | 178.9 | -23.3 | 33.7 | 0 | 0 | 0 | 112.2 | S816 | S816-P906 WeakPolarHBondContact CB-O 3.31Å; S816-P906 PolarHBondContact OG-O 2.86Å |
| 907 | P | 91.8 | Very high | 90.3 | Very high | 46 Ų | 46 | 49.2 Ų | 49.2 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 141.7 | 176.8 | 32.1 | -36.7 | 0 | 0 | 0 | 111.3 | E897 A898 F899 | E897-P907 HydrophobicContact CB-CB 4.23Å; A898-P907 CarbonylContact O-C 3.55Å; A898-P907 VanDerWaalsContact O-CA 3.26Å; A898-P907 WeakPolarHBondContact O-CA 3.41Å; A898-P907 WeakPolarHBondContact O-CB 3.4Å; F899-P907 HydrophobicContact CB-CB 3.85Å |
| 908 | G | 91.6 | Very high | 89.7 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 146 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111 | P817 F819 E897 A898 | P817-G908 WeakPolarHBondContact O-CA 3.43Å; F819-G908 WeakPolarHBondContact CE2-O 3.3Å; E897-G908 CarbonylContact C-O 3.54Å; E897-G908 WeakPolarHBondContact CA-O 2.96Å; E897-G908 WeakPolarHBondContact CB-O 3.35Å; A898-G908 PolarHBondContact N-O 3.37Å; A898-G908 PolarHBondContact O-N 2.85Å |
| 909 | I | 94.5 | Very high | 89.1 | Confident | 79 Ų | 79 | 52.1 Ų | 52.1 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 138.6 | -177.7 | -61 | 160.6 | 0 | 0 | 0 | 109.2 | L895 V896 E897 | L895-I909 HydrophobicContact CB-CG2 4.33Å; L895-I909 HydrophobicContact CD1-CG2 4.37Å; L895-I909 HydrophobicContact CD2-CG2 3.91Å; L895-I909 HydrophobicContact CG-CG2 4.44Å; V896-I909 WeakPolarHBondContact O-CA 3.21Å; E897-I909 HydrophobicContact CB-CG1 4.42Å |
| 910 | A | 93.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 148.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | F819 S822 Y824 V896 | F819-A910 HydrophobicContact CB-CB 4.13Å; F819-A910 HydrophobicContact CD1-CB 4.31Å; F819-A910 HydrophobicContact CD2-CB 3.54Å; F819-A910 HydrophobicContact CE2-CB 3.93Å; F819-A910 HydrophobicContact CG-CB 3.74Å; F819-A910 HydrophobicContact CZ-CB 4.48Å; S822-A910 VanDerWaalsContact O-CA 3.31Å; S822-A910 WeakPolarHBondContact O-CA 2.97Å; S822-A910 WeakPolarHBondContact O-CB 3.4Å; Y824-A910 HydrophobicContact CD2-CB 4.05Å; Y824-A910 HydrophobicContact CE2-CB 3.86Å; V896-A910 HydrophobicContact CG2-CB 3.99Å; V896-A910 WeakPolarHBondContact CG2-O 3.14Å; V896-A910 PolarHBondContact N-O 3.24Å; V896-A910 PolarHBondContact O-N 2.79Å |
| 911 | T | 94.1 | Very high | 88 | Confident | 54 Ų | 54 | 51.8 Ų | 51.8 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 129.1 | 173.4 | 57.5 | 0 | 0 | 0 | 0 | 109.5 | S822 T823 Y824 L895 | S822-T911 PolarHBondContact O-N 3.06Å; T823-T911 CarbonylContact C-O 3.6Å; T823-T911 WeakPolarHBondContact CA-O 3.24Å; T823-T911 WeakPolarHBondContact CB-OG1 3.43Å; T823-T911 WeakPolarHBondContact CG2-OG1 3.32Å; Y824-T911 PolarHBondContact N-O 3.13Å; L895-T911 HydrophobicContact CD2-CG2 3.4Å |
| 912 | V | 94 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.7 | 172.2 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | Y824 L839 L874 T893 F894 V896 V914 | Y824-V912 CarbonylContact O-C 3.58Å; Y824-V912 WeakPolarHBondContact O-CA 3.36Å; L839-V912 HydrophobicContact CD2-CG1 3.84Å; L839-V912 HydrophobicContact CD2-CG2 4.42Å; L874-V912 HydrophobicContact CD2-CG1 4.02Å; T893-V912 WeakPolarHBondContact CA-O 3.3Å; F894-V912 HydrophobicContact CD1-CB 4.5Å; F894-V912 HydrophobicContact CD2-CB 4.4Å; F894-V912 HydrophobicContact CE1-CB 4.15Å; F894-V912 HydrophobicContact CE1-CG1 4.04Å; F894-V912 HydrophobicContact CE2-CB 4.03Å; F894-V912 HydrophobicContact CE2-CG1 4.46Å; F894-V912 HydrophobicContact CE2-CG2 4.37Å; F894-V912 HydrophobicContact CZ-CB 3.91Å; F894-V912 HydrophobicContact CZ-CG1 3.87Å; F894-V912 PolarHBondContact N-O 2.88Å; F894-V912 PolarHBondContact O-N 3Å; V896-V912 HydrophobicContact CB-CG2 4.46Å; V896-V912 HydrophobicContact CG1-CG2 3.82Å; V896-V912 HydrophobicContact CG2-CG2 3.78Å; V912-V914 HydrophobicContact CG1-CG2 4.08Å |
| 913 | T | 93.1 | Very high | 87.8 | Confident | 31 Ų | 31 | 46.4 Ų | 46.4 | 19% | 0.19 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 112 | 173.5 | -51.3 | 0 | 0 | 0 | 0 | 108.5 | Y824 T825 V826 I892 T893 I915 | Y824-T913 PolarHBondContact O-N 3.32Å; T825-T913 WeakPolarHBondContact CA-O 3.24Å; V826-T913 PolarHBondContact N-O 3.47Å; I892-T913 WeakPolarHBondContact O-CA 3.2Å; T893-T913 HydrophobicContact CG2-CG2 3.68Å; T913-I915 HydrophobicContact CG2-CG1 4.21Å |
| 914 | V | 91.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 111.4 | 174.5 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | V826 V828 F838 F865 L880 S891 I892 F894 V912 | V826-V914 HydrophobicContact CG1-CG2 4.07Å; V828-V914 HydrophobicContact CB-CG1 3.97Å; V828-V914 HydrophobicContact CG2-CG1 3.7Å; F838-V914 HydrophobicContact CE2-CG2 3.87Å; F838-V914 HydrophobicContact CZ-CG2 4.15Å; F865-V914 HydrophobicContact CE1-CG1 4.38Å; F865-V914 HydrophobicContact CE1-CG2 4.21Å; F865-V914 HydrophobicContact CZ-CB 4.2Å; F865-V914 HydrophobicContact CZ-CG1 4.25Å; F865-V914 HydrophobicContact CZ-CG2 3.97Å; L880-V914 HydrophobicContact CD1-CG1 4.28Å; S891-V914 CarbonylContact C-O 3.59Å; S891-V914 VanDerWaalsContact CA-O 3.32Å; S891-V914 WeakPolarHBondContact CA-O 3.42Å; I892-V914 PolarHBondContact N-O 3.37Å; I892-V914 PolarHBondContact O-N 3.13Å; F894-V914 HydrophobicContact CE1-CG2 3.89Å; V912-V914 HydrophobicContact CG1-CG2 4.08Å |
| 915 | I | 89.5 | Confident | 88.4 | Confident | 72 Ų | 72 | 43.9 Ų | 43.9 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 118.5 | 174.8 | -57.9 | 174.6 | 0 | 0 | 0 | 107.2 | V826 V827 V828 T913 | V826-I915 PolarHBondContact O-N 3.04Å; V827-I915 CarbonylContact C-O 3.5Å; V827-I915 WeakPolarHBondContact CA-O 3.06Å; V827-I915 HydrophobicContact CG2-CB 4.33Å; V828-I915 PolarHBondContact N-O 2.91Å; T913-I915 HydrophobicContact CG2-CG1 4.21Å |
| 916 | V | 87.9 | Confident | 88.5 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 123.1 | 174.8 | -171.7 | 0 | 0 | 0 | 0 | 108 | V828 E830 L880 Y882 F885 A890 | V828-V916 CarbonylContact O-C 3.59Å; V828-V916 VanDerWaalsContact O-CA 3.29Å; V828-V916 WeakPolarHBondContact O-CA 3.41Å; E830-V916 HydrophobicContact CB-CG1 3.87Å; L880-V916 HydrophobicContact CB-CG1 4.28Å; L880-V916 HydrophobicContact CB-CG2 4.2Å; L880-V916 HydrophobicContact CD1-CG2 3.71Å; Y882-V916 HydrophobicContact CD2-CB 4.41Å; Y882-V916 HydrophobicContact CD2-CG1 4.29Å; Y882-V916 WeakPolarHBondContact CD2-O 3.5Å; Y882-V916 WeakPolarHBondContact CE2-O 3.33Å; F885-V916 HydrophobicContact CE2-CB 4.38Å; F885-V916 HydrophobicContact CE2-CG2 3.87Å; F885-V916 HydrophobicContact CZ-CG2 3.86Å; A890-V916 HydrophobicContact CB-CB 3.98Å; A890-V916 PolarHBondContact O-N 3.41Å |
| 917 | K | 84 | Confident | 88.4 | Confident | 92 Ų | 92 | 41.3 Ų | 41.3 | 40% | 0.4 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 120.7 | 176.8 | 176.9 | -176.7 | 163.9 | -149.4 | 0 | 108.9 | V827 V828 E829 E830 M919 | V827-K917 HydrophobicContact CG1-CB 3.68Å; V827-K917 HydrophobicContact CG1-CD 4.22Å; V827-K917 HydrophobicContact CG1-CG 4.47Å; V828-K917 PolarHBondContact O-N 3Å; E829-K917 HydrophobicContact CG-CB 4.44Å; E829-K917 HydrophobicContact CG-CD 4.05Å; E829-K917 IonicContact OE1-NZ 3.55Å; E829-K917 PolarHBondContact OE1-NZ 2.82Å; E830-K917 PolarHBondContact N-O 3.4Å; E830-K917 VanDerWaalsContact N-O 3.08Å; K917-M919 HydrophobicContact CD-CE 4.23Å; K917-M919 HydrophobicContact CG-CE 4.24Å |
| 918 | D | 82.4 | Confident | 88.2 | Confident | 34 Ų | 34 | 45.1 Ų | 45.1 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -51.5 | 133.5 | 169.6 | 178.2 | 23 | 0 | 0 | 0 | 111.8 | E830 Y882 | E830-D918 WeakPolarHBondContact OE1-CA 3.21Å; Y882-D918 HydrophobicContact CD1-CB 3.72Å; Y882-D918 HydrophobicContact CD2-CB 3.82Å; Y882-D918 HydrophobicContact CE1-CB 3.77Å; Y882-D918 HydrophobicContact CE2-CB 3.86Å; Y882-D918 HydrophobicContact CG-CB 3.77Å |
| 919 | M | 80.8 | Confident | 87.9 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 21% | 0.207 | 27% | 0.274 | C | S | . | . | trans | -127.6 | 135.3 | 176.8 | -66 | -80 | 86.4 | 0 | 0 | 108.8 | E829 E830 K917 D921 | E829-M919 HydrophobicContact CB-CG 4.17Å; E829-M919 HydrophobicContact CB-SD 4.15Å; E829-M919 HydrophobicContact CG-CE 4.29Å; E829-M919 HydrophobicContact CG-SD 4Å; E830-M919 HydrophobicContact CG-CB 3.7Å; E830-M919 HydrophobicContact CG-CG 3.78Å; E830-M919 WeakPolarHBondContact OE1-CA 3.28Å; E830-M919 PolarHBondContact OE1-N 3.42Å; E830-M919 VanDerWaalsContact OE1-O 3.12Å; K917-M919 HydrophobicContact CD-CE 4.23Å; K917-M919 HydrophobicContact CG-CE 4.24Å; M919-D921 PolarHBondContact O-N 2.91Å | ||
| 920 | N | 82 | Confident | 87.7 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | trans | -60.3 | 103.9 | 173.8 | 178.4 | 12.3 | 0 | 0 | 0 | 111 | Y922 D954 A960 D1010 P1014 M1016 | N920-Y922 PolarHBondContact OD1-O 3.14Å; N920-D954 PolarHBondContact OD1-OD2 3.34Å; N920-A960 HydrophobicContact CB-CB 3.93Å; N920-D1010 PolarHBondContact ND2-OD1 3.47Å; N920-D1010 PolarHBondContact ND2-OD2 2.81Å; N920-P1014 PolarHBondContact ND2-O 2.61Å; N920-M1016 VanDerWaalsContact OD1-CE 3.31Å; N920-M1016 WeakPolarHBondContact OD1-CE 3.48Å | ||
| 921 | D | 78 | Confident | 87.5 | Confident | 51 Ų | 51 | 56.4 Ų | 56.4 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | trans | -127.3 | -1 | 179.5 | 83.3 | -20.5 | 0 | 0 | 0 | 114.3 | N831 M919 M1016 | N831-D921 PolarHBondContact ND2-OD2 3.37Å; M919-D921 PolarHBondContact O-N 2.91Å; D921-M1016 WeakPolarHBondContact O-CE 3.43Å | ||
| 922 | Y | 81.9 | Confident | 87.1 | Confident | 91 Ų | 91 | 60.9 Ų | 60.9 | 36% | 0.357 | 29% | 0.294 | S | S | . | . | trans | -103.4 | 114.4 | 166.7 | -66.7 | -84.5 | 0 | 0 | 0 | 113.1 | E883 N920 A953 D954 | E883-Y922 HydrophobicContact CG-CE2 3.94Å; N920-Y922 PolarHBondContact OD1-O 3.14Å; Y922-A953 HydrophobicContact CD1-CB 3.61Å; Y922-A953 HydrophobicContact CD2-CB 4.47Å; Y922-A953 HydrophobicContact CE1-CB 4.27Å; Y922-A953 HydrophobicContact CG-CB 3.72Å; Y922-D954 WeakPolarHBondContact CB-OD1 3.28Å; Y922-D954 WeakPolarHBondContact CD2-OD1 3.19Å; Y922-D954 PolarHBondContact N-OD1 3Å | ||
| 923 | P | 85.7 | Confident | 86.5 | Confident | 53 Ų | 53 | 61 Ų | 61 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | trans | -77.6 | 147.2 | 174.5 | 29.7 | -32.8 | 0 | 0 | 0 | 111.1 | V925 M1016 | P923-V925 VanDerWaalsContact O-CG2 3.29Å; P923-V925 WeakPolarHBondContact O-CG2 3.25Å; P923-V925 PolarHBondContact O-N 3.33Å; P923-M1016 HydrophobicContact CB-CB 3.97Å; P923-M1016 HydrophobicContact CB-CE 4.25Å; P923-M1016 HydrophobicContact CB-SD 4.39Å; P923-M1016 VanDerWaalsContact N-CE 3.33Å | ||
| 924 | P | 90.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -57 | 128.4 | 175.4 | -23.7 | 28 | 0 | 0 | 0 | 111.6 | A950 E951 D952 V963 A1008 D1010 S1018 | P924-A950 HydrophobicContact CB-CB 4.48Å; P924-E951 CarbonylContact C-O 3.6Å; P924-D952 WeakPolarHBondContact CA-OD2 3.43Å; P924-D952 WeakPolarHBondContact CD-OD2 3.48Å; P924-D952 WeakPolarHBondContact CG-OD2 3.35Å; P924-D952 VanDerWaalsContact N-OD2 3.14Å; P924-V963 HydrophobicContact CB-CG1 4.13Å; P924-V963 HydrophobicContact CB-CG2 4.01Å; P924-V963 HydrophobicContact CG-CG2 4.34Å; P924-A1008 HydrophobicContact CB-CB 3.97Å; P924-D1010 WeakPolarHBondContact CD-OD2 3.45Å; P924-D1010 HydrophobicContact CG-CB 4.05Å; P924-S1018 WeakPolarHBondContact O-CB 3.45Å; P924-S1018 PolarHBondContact O-OG 3.06Å | ||
| 925 | V | 90.1 | Very high | 85.6 | Confident | 97 Ų | 97 | 61.1 Ų | 61.1 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.4 | -176.2 | -175 | 0 | 0 | 0 | 0 | 111.7 | P923 A950 E951 | P923-V925 VanDerWaalsContact O-CG2 3.29Å; P923-V925 WeakPolarHBondContact O-CG2 3.25Å; P923-V925 PolarHBondContact O-N 3.33Å; V925-A950 CarbonylContact O-C 3.57Å; V925-A950 WeakPolarHBondContact O-CA 3.45Å; V925-A950 WeakPolarHBondContact O-CB 3.27Å; V925-E951 PolarHBondContact N-O 3.32Å; V925-E951 PolarHBondContact O-N 2.84Å |
| 926 | F | 92.1 | Very high | 85 | Confident | 20 Ų | 20 | 58.2 Ų | 58.2 | 9% | 0.088 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 133.6 | 173.2 | -73.6 | -83.2 | 0 | 0 | 0 | 112.7 | K928 Y931 V948 Y949 A950 Y965 V1006 A1008 S1018 A1020 | F926-K928 PolarHBondContact O-N 2.79Å; F926-Y931 HydrophobicContact CB-CE2 4.38Å; F926-Y931 AromaticContact CD1-CE2 3.96Å; F926-Y931 HydrophobicContact CD1-CE2 3.96Å; F926-Y931 HydrophobicContact CG-CE2 4.49Å; F926-V948 HydrophobicContact CD1-CB 4.26Å; F926-V948 HydrophobicContact CE1-CB 3.9Å; F926-V948 HydrophobicContact CE1-CG2 3.95Å; F926-Y949 WeakPolarHBondContact CA-O 3.12Å; F926-A950 HydrophobicContact CD1-CB 3.88Å; F926-A950 HydrophobicContact CD2-CB 4.47Å; F926-A950 HydrophobicContact CE1-CB 4.19Å; F926-A950 HydrophobicContact CG-CB 4.04Å; F926-Y965 AromaticContact CE1-CD1 3.96Å; F926-Y965 HydrophobicContact CE1-CD1 3.96Å; F926-Y965 AromaticContact CE1-CE1 3.72Å; F926-Y965 HydrophobicContact CE1-CE1 3.72Å; F926-Y965 HydrophobicContact CZ-CD1 4.14Å; F926-Y965 HydrophobicContact CZ-CE1 4.22Å; F926-V1006 HydrophobicContact CZ-CG1 4.19Å; F926-A1008 HydrophobicContact CD2-CB 4.28Å; F926-A1008 HydrophobicContact CE1-CB 4.09Å; F926-A1008 HydrophobicContact CE2-CB 3.47Å; F926-A1008 VanDerWaalsContact CE2-CB 3.47Å; F926-A1008 HydrophobicContact CZ-CB 3.37Å; F926-S1018 VanDerWaalsContact CD2-OG 3.31Å; F926-S1018 WeakPolarHBondContact CD2-OG 3.42Å; F926-A1020 HydrophobicContact CB-CB 4.05Å; F926-A1020 HydrophobicContact CD1-CB 3.91Å; F926-A1020 HydrophobicContact CD2-CB 3.58Å; F926-A1020 HydrophobicContact CE1-CB 4.2Å; F926-A1020 HydrophobicContact CE2-CB 3.9Å; F926-A1020 HydrophobicContact CG-CB 3.57Å; F926-A1020 HydrophobicContact CZ-CB 4.18Å |
| 927 | S | 87.1 | Confident | 84.5 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 54% | 0.538 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -59.1 | -22 | 174.9 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | Y931 Y949 | S927-Y931 PolarHBondContact OG-OH 2.9Å; S927-Y949 PolarHBondContact N-O 3.15Å; S927-Y949 PolarHBondContact OG-O 3.36Å |
| 928 | K | 87.6 | Confident | 84.1 | Confident | 126 Ų | 126 | 59.3 Ų | 59.3 | 55% | 0.548 | 29% | 0.292 | S | S | . | . | trans | -139.2 | 139.5 | 176.6 | -60 | 174.7 | -173.3 | 167.8 | 0 | 110.4 | F926 Y931 | F926-K928 PolarHBondContact O-N 2.79Å; K928-Y931 HydrophobicContact CB-CD2 4.37Å; K928-Y931 HydrophobicContact CB-CE1 4.14Å; K928-Y931 HydrophobicContact CB-CE2 3.95Å; K928-Y931 HydrophobicContact CD-CD1 4.34Å; K928-Y931 HydrophobicContact CD-CE1 4.07Å; K928-Y931 HydrophobicContact CG-CE1 4.39Å; K928-Y931 WeakPolarHBondContact O-CE2 3.19Å | ||
| 929 | R | 86.1 | Confident | 83.9 | Confident | 224 Ų | 224 | 58.1 Ų | 58.1 | 85% | 0.845 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -71.4 | -30.7 | 174.6 | -58.2 | -171.2 | 80.3 | -167.2 | 7 | 113.3 | T1021 | R929-T1021 PolarHBondContact O-N 3.21Š|
| 930 | I | 89.6 | Confident | 83.8 | Confident | 92 Ų | 92 | 60.6 Ų | 60.6 | 47% | 0.472 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 121.2 | 179.6 | -58.3 | 175.2 | 0 | 0 | 0 | 109.3 | T1021 R1023 | I930-T1021 CarbonylContact C-O 3.56Å; I930-T1021 VanDerWaalsContact CA-O 3.28Å; I930-T1021 WeakPolarHBondContact CA-O 2.95Å; I930-R1023 HydrophobicContact CG2-CG 4.07Å |
| 931 | Y | 88.8 | Confident | 83.7 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 148.9 | 169.7 | -67.6 | -96.9 | 0 | 0 | 0 | 109.9 | F926 S927 K928 V948 Y949 A1020 T1021 V1022 R1023 | F926-Y931 HydrophobicContact CB-CE2 4.38Å; F926-Y931 AromaticContact CD1-CE2 3.96Å; F926-Y931 HydrophobicContact CD1-CE2 3.96Å; F926-Y931 HydrophobicContact CG-CE2 4.49Å; S927-Y931 PolarHBondContact OG-OH 2.9Å; K928-Y931 HydrophobicContact CB-CD2 4.37Å; K928-Y931 HydrophobicContact CB-CE1 4.14Å; K928-Y931 HydrophobicContact CB-CE2 3.95Å; K928-Y931 HydrophobicContact CD-CD1 4.34Å; K928-Y931 HydrophobicContact CD-CE1 4.07Å; K928-Y931 HydrophobicContact CG-CE1 4.39Å; K928-Y931 WeakPolarHBondContact O-CE2 3.19Å; Y931-V948 HydrophobicContact CD1-CG1 4.1Å; Y931-V948 HydrophobicContact CD2-CB 4.42Å; Y931-V948 HydrophobicContact CD2-CG1 3.73Å; Y931-V948 HydrophobicContact CE1-CB 4.35Å; Y931-V948 HydrophobicContact CE1-CG1 4.31Å; Y931-V948 HydrophobicContact CE2-CB 4.13Å; Y931-V948 HydrophobicContact CE2-CG1 3.95Å; Y931-V948 HydrophobicContact CG-CG1 3.8Å; Y931-Y949 PolarHBondContact OH-N 2.64Å; Y931-Y949 VanDerWaalsContact OH-N 3.17Å; Y931-Y949 PolarHBondContact OH-O 3.38Å; Y931-A1020 HydrophobicContact CD2-CB 4.22Å; Y931-A1020 HydrophobicContact CE2-CB 4.08Å; Y931-T1021 PolarHBondContact N-O 3.1Å; Y931-V1022 CarbonylContact O-C 3.55Å; Y931-V1022 WeakPolarHBondContact O-CA 3.27Å; Y931-R1023 PolarHBondContact O-N 2.92Å |
| 932 | K | 85.6 | Confident | 83.6 | Confident | 149 Ų | 149 | 66.4 Ų | 66.4 | 65% | 0.648 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 143.2 | 175.6 | -64.9 | -179.7 | -176.2 | 175.4 | 0 | 108.9 | T946 R1023 L1119 | K932-T946 PolarHBondContact O-OG1 2.67Å; K932-R1023 WeakPolarHBondContact CA-O 3.43Å; K932-L1119 VanDerWaalsContact O-CD2 3.27Å; K932-L1119 WeakPolarHBondContact O-CD2 3.39Å |
| 933 | G | 83.3 | Confident | 83.5 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 153 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | R1023 I1024 L1025 | G933-R1023 PolarHBondContact N-O 3.36Å; G933-I1024 WeakPolarHBondContact O-CA 3.35Å; G933-L1025 PolarHBondContact O-N 2.82Å |
| 934 | M | 82.9 | Confident | 83.4 | Confident | 31 Ų | 31 | 64 Ų | 64 | 15% | 0.153 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 143.3 | 173.6 | -77.1 | 173 | 145.3 | 0 | 0 | 109 | L1025 L1027 V1114 L1119 V1121 | M934-L1025 WeakPolarHBondContact CA-O 3.45Å; M934-L1025 HydrophobicContact CE-CD2 3.85Å; M934-L1025 HydrophobicContact CG-CB 4.39Å; M934-L1027 HydrophobicContact CB-CD1 4.08Å; M934-L1027 HydrophobicContact CB-CG 4.28Å; M934-L1027 HydrophobicContact CE-CD2 3.64Å; M934-L1027 HydrophobicContact CG-CD2 4.41Å; M934-L1027 HydrophobicContact CG-CG 4.46Å; M934-L1027 HydrophobicContact SD-CD1 4.42Å; M934-L1027 HydrophobicContact SD-CD2 4.08Å; M934-V1114 HydrophobicContact SD-CG2 4.04Å; M934-L1119 HydrophobicContact CG-CD1 3.96Å; M934-L1119 HydrophobicContact SD-CD1 3.73Å; M934-V1121 HydrophobicContact CB-CG2 3.9Å; M934-V1121 HydrophobicContact SD-CG2 4.43Å |
| 935 | V | 82.3 | Confident | 83 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 145.9 | -179.5 | 69.8 | 0 | 0 | 0 | 0 | 110.1 | A939 I945 F979 T990 L994 I1024 L1025 V1026 L1027 | V935-A939 HydrophobicContact CG2-CB 3.48Å; V935-A939 VanDerWaalsContact CG2-CB 3.48Å; V935-I945 HydrophobicContact CB-CD1 4.41Å; V935-I945 HydrophobicContact CB-CG1 4.36Å; V935-I945 HydrophobicContact CG2-CD1 4.41Å; V935-I945 HydrophobicContact CG2-CG1 4.32Å; V935-F979 HydrophobicContact CG1-CE1 4.41Å; V935-F979 HydrophobicContact CG1-CZ 4.44Å; V935-T990 HydrophobicContact CG2-CG2 3.97Å; V935-L994 HydrophobicContact CG1-CD2 3.7Å; V935-L994 HydrophobicContact CG2-CD1 4.4Å; V935-L994 HydrophobicContact CG2-CD2 4.26Å; V935-I1024 HydrophobicContact CB-CG2 4.22Å; V935-I1024 HydrophobicContact CG1-CG2 3.69Å; V935-L1025 PolarHBondContact N-O 2.88Å; V935-V1026 HydrophobicContact CG1-CG2 3.92Å; V935-V1026 WeakPolarHBondContact O-CA 3.32Å; V935-L1027 PolarHBondContact O-N 2.65Å |
| 936 | A | 76.1 | Confident | 82.8 | Confident | 11 Ų | 11 | 60.9 Ų | 60.9 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | trans | -72.5 | 146.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D938 A939 I1032 | A936-D938 PolarHBondContact O-N 2.66Å; A936-A939 HydrophobicContact CB-CB 4.37Å; A936-A939 VanDerWaalsContact O-CB 3.3Å; A936-A939 WeakPolarHBondContact O-CB 3.42Å; A936-A939 PolarHBondContact O-N 3.24Å; A936-A939 VanDerWaalsContact O-N 3.13Å; A936-I1032 HydrophobicContact CB-CD1 3.66Å | ||
| 937 | P | 78.4 | Confident | 82.6 | Confident | 15 Ų | 15 | 63.8 Ų | 63.8 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19.6 | -179.3 | 23.2 | -30.2 | 0 | 0 | 0 | 113.5 | L994 N995 E996 V1026 L1027 P1029 | P937-L994 CarbonylContact O-C 3.51Å; P937-L994 WeakPolarHBondContact O-CB 3.19Å; P937-L994 VanDerWaalsContact O-O 3.05Å; P937-N995 WeakPolarHBondContact O-CA 3.32Å; P937-N995 PolarHBondContact O-N 2.77Å; P937-E996 WeakPolarHBondContact CB-O 3.29Å; P937-E996 PolarHBondContact O-N 2.94Å; P937-V1026 HydrophobicContact CB-CG1 3.61Å; P937-V1026 HydrophobicContact CG-CG1 4.37Å; P937-L1027 VanDerWaalsContact CD-O 3.32Å; P937-L1027 WeakPolarHBondContact CD-O 3.41Å; P937-P1029 HydrophobicContact CG-CG 3.86Å |
| 938 | D | 74.9 | Confident | 82.7 | Confident | 104 Ų | 104 | 60.2 Ų | 60.2 | 56% | 0.556 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | 22.3 | 176.9 | 62.3 | -23.5 | 0 | 0 | 0 | 113 | A936 V940 | A936-D938 PolarHBondContact O-N 2.66Å; D938-V940 PolarHBondContact O-N 3.08Å |
| 939 | A | 77.5 | Confident | 82.9 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 7% | 0.066 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 129.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V935 A936 T943 T990 N993 L994 | V935-A939 HydrophobicContact CG2-CB 3.48Å; V935-A939 VanDerWaalsContact CG2-CB 3.48Å; A936-A939 HydrophobicContact CB-CB 4.37Å; A936-A939 VanDerWaalsContact O-CB 3.3Å; A936-A939 WeakPolarHBondContact O-CB 3.42Å; A936-A939 PolarHBondContact O-N 3.24Å; A936-A939 VanDerWaalsContact O-N 3.13Å; A939-T943 HydrophobicContact CB-CG2 4.28Å; A939-T990 HydrophobicContact CB-CG2 4.42Å; A939-N993 CarbonylContact O-C 3.14Å; A939-N993 WeakPolarHBondContact O-CA 3.35Å; A939-L994 HydrophobicContact CB-CB 4.43Å; A939-L994 PolarHBondContact O-N 2.74Å |
| 940 | V | 79.3 | Confident | 83.1 | Confident | 94 Ų | 94 | 49.7 Ų | 49.7 | 57% | 0.57 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 152.8 | 177.6 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | D938 G942 T943 T990 N993 | D938-V940 PolarHBondContact O-N 3.08Å; V940-G942 PolarHBondContact O-N 2.76Å; V940-T943 WeakPolarHBondContact O-CB 3.46Å; V940-T943 PolarHBondContact O-N 3.44Å; V940-T943 PolarHBondContact O-OG1 2.93Å; V940-T990 PolarHBondContact O-OG1 3.46Å; V940-N993 WeakPolarHBondContact CG1-OD1 3.36Å |
| 941 | K | 80 | Confident | 83 | Confident | 139 Ų | 139 | 51 Ų | 51 | 60% | 0.604 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | 134.8 | 170.4 | 174.9 | 176.1 | -179 | 177.9 | 0 | 110.9 | T990 R991 N993 | K941-T990 WeakPolarHBondContact CA-OG1 3.3Å; K941-R991 WeakPolarHBondContact CD-O 3.45Å; K941-R991 WeakPolarHBondContact CE-O 3.4Å; K941-R991 VanDerWaalsContact CG-O 3.3Å; K941-R991 WeakPolarHBondContact CG-O 3.44Å; K941-N993 WeakPolarHBondContact CB-OD1 3.38Å; K941-N993 PolarHBondContact N-OD1 3.15Å |
| 942 | G | 76.1 | Confident | 83 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 49% | 0.485 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 8.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V940 P944 T990 | V940-G942 PolarHBondContact O-N 2.76Å; G942-P944 WeakPolarHBondContact O-CD 3.47Å; G942-T990 PolarHBondContact N-O 3.05Å; G942-T990 PolarHBondContact N-OG1 3.36Å |
| 943 | T | 79.1 | Confident | 82.9 | Confident | 22 Ų | 22 | 48 Ų | 48 | 14% | 0.135 | 27% | 0.274 | C | S | . | . | trans | -69.6 | 124.7 | 176.3 | -62 | 0 | 0 | 0 | 0 | 109.6 | A939 V940 V989 T990 P1122 | A939-T943 HydrophobicContact CB-CG2 4.28Å; V940-T943 WeakPolarHBondContact O-CB 3.46Å; V940-T943 PolarHBondContact O-N 3.44Å; V940-T943 PolarHBondContact O-OG1 2.93Å; T943-V989 WeakPolarHBondContact O-CA 3.46Å; T943-T990 PolarHBondContact N-OG1 3.06Å; T943-T990 PolarHBondContact O-N 2.85Å; T943-T990 VanDerWaalsContact O-N 3.09Å; T943-P1122 HydrophobicContact CG2-CG 3.86Å | ||
| 944 | P | 83.8 | Confident | 82.8 | Confident | 71 Ų | 71 | 48.1 Ų | 48.1 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 134.5 | 177.5 | 31.6 | -34.4 | 0 | 0 | 0 | 110.8 | G942 R987 | G942-P944 WeakPolarHBondContact O-CD 3.47Å; P944-R987 HydrophobicContact CB-CG 4.24Å |
| 945 | I | 83.1 | Confident | 82.5 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -54.8 | -174.8 | -60.1 | 173.7 | 0 | 0 | 0 | 110.4 | V935 F979 V988 T990 I1024 | V935-I945 HydrophobicContact CB-CD1 4.41Å; V935-I945 HydrophobicContact CB-CG1 4.36Å; V935-I945 HydrophobicContact CG2-CD1 4.41Å; V935-I945 HydrophobicContact CG2-CG1 4.32Å; I945-F979 HydrophobicContact CD1-CD1 3.24Å; I945-F979 HydrophobicContact CD1-CE1 3.32Å; I945-F979 HydrophobicContact CD1-CG 4.35Å; I945-F979 HydrophobicContact CD1-CZ 4.48Å; I945-V988 HydrophobicContact CD1-CG1 4.46Å; I945-V988 PolarHBondContact N-O 3.33Å; I945-T990 HydrophobicContact CD1-CG2 3.96Å; I945-T990 HydrophobicContact CG1-CG2 4.38Å; I945-I1024 HydrophobicContact CD1-CD1 4.02Å; I945-I1024 HydrophobicContact CD1-CG2 4.18Å; I945-I1024 HydrophobicContact CG2-CG1 4.22Å; I945-I1024 HydrophobicContact CG2-CG2 3.99Å |
| 946 | T | 85.6 | Confident | 82.3 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 16% | 0.16 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 169.8 | -179.2 | -161.7 | 0 | 0 | 0 | 0 | 108.9 | K932 V988 V1022 | K932-T946 PolarHBondContact O-OG1 2.67Å; T946-V988 HydrophobicContact CG2-CB 4.15Å; T946-V988 HydrophobicContact CG2-CG2 4.05Å; T946-V988 PolarHBondContact O-N 2.79Å; T946-V1022 HydrophobicContact CG2-CG1 3.64Å |
| 947 | T | 86.8 | Confident | 82.4 | Confident | 81 Ų | 81 | 56.6 Ų | 56.6 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.2 | 176.3 | -48.6 | 0 | 0 | 0 | 0 | 108.2 | G986 | T947-G986 WeakPolarHBondContact CA-O 3.2Å |
| 948 | V | 89.7 | Confident | 82.6 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | trans | -93.8 | 148.7 | 172.1 | -61.8 | 0 | 0 | 0 | 0 | 109.4 | F926 Y931 Y965 V981 G986 V988 V1006 V1022 | F926-V948 HydrophobicContact CD1-CB 4.26Å; F926-V948 HydrophobicContact CE1-CB 3.9Å; F926-V948 HydrophobicContact CE1-CG2 3.95Å; Y931-V948 HydrophobicContact CD1-CG1 4.1Å; Y931-V948 HydrophobicContact CD2-CB 4.42Å; Y931-V948 HydrophobicContact CD2-CG1 3.73Å; Y931-V948 HydrophobicContact CE1-CB 4.35Å; Y931-V948 HydrophobicContact CE1-CG1 4.31Å; Y931-V948 HydrophobicContact CE2-CB 4.13Å; Y931-V948 HydrophobicContact CE2-CG1 3.95Å; Y931-V948 HydrophobicContact CG-CG1 3.8Å; V948-Y965 HydrophobicContact CG2-CD1 3.74Å; V948-Y965 HydrophobicContact CG2-CE1 3.9Å; V948-Y965 HydrophobicContact CG2-CG 4.33Å; V948-V981 HydrophobicContact CG2-CG2 4.31Å; V948-G986 VanDerWaalsContact CG2-O 3.31Å; V948-G986 WeakPolarHBondContact CG2-O 3.29Å; V948-G986 PolarHBondContact N-O 2.74Å; V948-V988 HydrophobicContact CG1-CG2 4.21Å; V948-V1006 HydrophobicContact CG2-CG1 4.06Å; V948-V1022 HydrophobicContact CG1-CG2 3.8Å | ||
| 949 | Y | 91.5 | Very high | 83 | Confident | 125 Ų | 125 | 57.5 Ų | 57.5 | 49% | 0.49 | 35% | 0.353 | S | S | . | . | trans | -139.4 | 126.3 | -179.8 | -175 | -110.4 | 0 | 0 | 0 | 110 | F926 S927 Y931 E951 | F926-Y949 WeakPolarHBondContact CA-O 3.12Å; S927-Y949 PolarHBondContact N-O 3.15Å; S927-Y949 PolarHBondContact OG-O 3.36Å; Y931-Y949 PolarHBondContact OH-N 2.64Å; Y931-Y949 VanDerWaalsContact OH-N 3.17Å; Y931-Y949 PolarHBondContact OH-O 3.38Å; Y949-E951 HydrophobicContact CD1-CG 4.39Å; Y949-E951 HydrophobicContact CE1-CG 3.49Å; Y949-E951 VanDerWaalsContact CE1-CG 3.49Å; Y949-E951 VanDerWaalsContact CE1-OE1 3.32Å; Y949-E951 WeakPolarHBondContact CE1-OE1 3.43Å; Y949-E951 PolarHBondContact OH-OE1 3.31Å | ||
| 950 | A | 90.5 | Very high | 83.1 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.033 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | P924 V925 F926 V963 Y965 A1008 | P924-A950 HydrophobicContact CB-CB 4.48Å; V925-A950 CarbonylContact O-C 3.57Å; V925-A950 WeakPolarHBondContact O-CA 3.45Å; V925-A950 WeakPolarHBondContact O-CB 3.27Å; F926-A950 HydrophobicContact CD1-CB 3.88Å; F926-A950 HydrophobicContact CD2-CB 4.47Å; F926-A950 HydrophobicContact CE1-CB 4.19Å; F926-A950 HydrophobicContact CG-CB 4.04Å; A950-V963 HydrophobicContact CB-CG1 4.08Å; A950-Y965 HydrophobicContact CB-CE1 4.01Å; A950-Y965 PolarHBondContact N-OH 2.88Å; A950-Y965 PolarHBondContact O-OH 2.85Å; A950-A1008 HydrophobicContact CB-CB 3.79Å |
| 951 | E | 88.2 | Confident | 83.4 | Confident | 121 Ų | 121 | 54.3 Ų | 54.3 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 141.8 | 176.5 | -70.8 | 176.7 | 164 | 0 | 0 | 108.7 | P924 V925 Y949 | P924-E951 CarbonylContact C-O 3.6Å; V925-E951 PolarHBondContact N-O 3.32Å; V925-E951 PolarHBondContact O-N 2.84Å; Y949-E951 HydrophobicContact CD1-CG 4.39Å; Y949-E951 HydrophobicContact CE1-CG 3.49Å; Y949-E951 VanDerWaalsContact CE1-CG 3.49Å; Y949-E951 VanDerWaalsContact CE1-OE1 3.32Å; Y949-E951 WeakPolarHBondContact CE1-OE1 3.43Å; Y949-E951 PolarHBondContact OH-OE1 3.31Å |
| 952 | D | 88 | Confident | 83.7 | Confident | 27 Ų | 27 | 53.5 Ų | 53.5 | 14% | 0.144 | 33% | 0.328 | C | S | . | . | trans | -103.6 | 143.1 | 170.9 | -153.4 | -64.8 | 0 | 0 | 0 | 109.2 | P924 D954 V963 | P924-D952 WeakPolarHBondContact CA-OD2 3.43Å; P924-D952 WeakPolarHBondContact CD-OD2 3.48Å; P924-D952 WeakPolarHBondContact CG-OD2 3.35Å; P924-D952 VanDerWaalsContact N-OD2 3.14Å; D952-D954 WeakPolarHBondContact OD1-CB 3.2Å; D952-D954 PolarHBondContact OD1-N 3.4Å; D952-V963 HydrophobicContact CB-CG2 3.82Å | ||
| 953 | A | 83.6 | Confident | 84.4 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 58% | 0.579 | 31% | 0.313 | S | S | * | . | trans | -96.5 | -6.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y922 | Y922-A953 HydrophobicContact CD1-CB 3.61Å; Y922-A953 HydrophobicContact CD2-CB 4.47Å; Y922-A953 HydrophobicContact CE1-CB 4.27Å; Y922-A953 HydrophobicContact CG-CB 3.72Å | ||
| 954 | D | 81.6 | Confident | 85 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -59.2 | 155.7 | 169.9 | -70 | -29.6 | 0 | 0 | 0 | 111.4 | N920 Y922 D952 A960 S961 | N920-D954 PolarHBondContact OD1-OD2 3.34Å; Y922-D954 WeakPolarHBondContact CB-OD1 3.28Å; Y922-D954 WeakPolarHBondContact CD2-OD1 3.19Å; Y922-D954 PolarHBondContact N-OD1 3Å; D952-D954 WeakPolarHBondContact OD1-CB 3.2Å; D952-D954 PolarHBondContact OD1-N 3.4Å; D954-A960 HydrophobicContact CB-CB 4.04Å; D954-A960 VanDerWaalsContact OD2-C 3.29Å; D954-A960 WeakPolarHBondContact OD2-CB 3.34Å; D954-S961 WeakPolarHBondContact O-CB 3.3Å |
| 955 | P | 77.3 | Confident | 85.5 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 132.1 | -177.1 | -24.7 | 32.5 | 0 | 0 | 0 | 113.6 | G957 M958 S961 | P955-G957 PolarHBondContact O-N 2.86Å; P955-M958 HydrophobicContact CB-CE 3.6Å; P955-M958 HydrophobicContact CB-CG 4.46Å; P955-M958 HydrophobicContact CB-SD 3.85Å; P955-M958 HydrophobicContact CG-CE 4.06Å; P955-M958 HydrophobicContact CG-SD 4.11Å; P955-M958 WeakPolarHBondContact O-CG 3.4Å; P955-M958 PolarHBondContact O-N 3.38Å; P955-S961 VanDerWaalsContact O-CB 3.28Å; P955-S961 WeakPolarHBondContact O-CB 3.39Å; P955-S961 PolarHBondContact O-OG 3.12Å |
| 956 | P | 77.8 | Confident | 85.9 | Confident | 124 Ų | 124 | 56.5 Ų | 56.5 | 81% | 0.805 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 134.7 | -170.7 | 25.4 | -33.9 | 0 | 0 | 0 | 112.4 | ||
| 957 | G | 78.4 | Confident | 86.1 | Confident | 81 Ų | 81 | 55.8 Ų | 55.8 | 84% | 0.835 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.3 | -4.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | P955 S961 | P955-G957 PolarHBondContact O-N 2.86Å; G957-S961 PolarHBondContact N-OG 3.07Å; G957-S961 VanDerWaalsContact N-OG 3.14Å |
| 958 | M | 81.1 | Confident | 86 | Confident | 55 Ų | 55 | 53.3 Ų | 53.3 | 27% | 0.271 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -89.5 | 155.6 | 174.3 | -55.3 | -172 | -176.3 | 0 | 0 | 111.3 | P955 A960 S961 R962 | P955-M958 HydrophobicContact CB-CE 3.6Å; P955-M958 HydrophobicContact CB-CG 4.46Å; P955-M958 HydrophobicContact CB-SD 3.85Å; P955-M958 HydrophobicContact CG-CE 4.06Å; P955-M958 HydrophobicContact CG-SD 4.11Å; P955-M958 WeakPolarHBondContact O-CG 3.4Å; P955-M958 PolarHBondContact O-N 3.38Å; M958-A960 PolarHBondContact O-N 2.93Å; M958-S961 PolarHBondContact N-OG 3Å; M958-S961 PolarHBondContact O-N 2.92Å; M958-S961 VanDerWaalsContact O-N 3.13Å; M958-S961 PolarHBondContact O-OG 3.27Å; M958-R962 PolarHBondContact O-N 2.97Å |
| 959 | P | 83.6 | Confident | 85.5 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -54.7 | -33.3 | 174 | -25.5 | 34.8 | 0 | 0 | 0 | 113.6 | R962 D1011 | P959-R962 WeakPolarHBondContact O-CB 3.48Å; P959-R962 PolarHBondContact O-N 2.67Å; P959-D1011 HydrophobicContact CB-CB 3.98Å; P959-D1011 WeakPolarHBondContact CB-O 3.32Å; P959-D1011 CarbonylContact O-C 3.45Å; P959-D1011 WeakPolarHBondContact O-CA 3.29Å; P959-D1011 WeakPolarHBondContact O-CB 3.34Å; P959-D1011 PolarHBondContact O-N 3.4Å |
| 960 | A | 80.9 | Confident | 84.7 | Confident | 9 Ų | 9 | 58 Ų | 58 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N920 D954 M958 R962 D1010 | N920-A960 HydrophobicContact CB-CB 3.93Å; D954-A960 HydrophobicContact CB-CB 4.04Å; D954-A960 VanDerWaalsContact OD2-C 3.29Å; D954-A960 WeakPolarHBondContact OD2-CB 3.34Å; M958-A960 PolarHBondContact O-N 2.93Å; A960-R962 PolarHBondContact O-N 2.72Å; A960-R962 VanDerWaalsContact O-N 3.15Å; A960-D1010 WeakPolarHBondContact O-CB 3.42Å |
| 961 | S | 84.1 | Confident | 83.9 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 18% | 0.175 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -7.4 | 173.5 | 72.7 | 0 | 0 | 0 | 0 | 115.8 | D954 P955 G957 M958 V963 | D954-S961 WeakPolarHBondContact O-CB 3.3Å; P955-S961 VanDerWaalsContact O-CB 3.28Å; P955-S961 WeakPolarHBondContact O-CB 3.39Å; P955-S961 PolarHBondContact O-OG 3.12Å; G957-S961 PolarHBondContact N-OG 3.07Å; G957-S961 VanDerWaalsContact N-OG 3.14Å; M958-S961 PolarHBondContact N-OG 3Å; M958-S961 PolarHBondContact O-N 2.92Å; M958-S961 VanDerWaalsContact O-N 3.13Å; M958-S961 PolarHBondContact O-OG 3.27Å; S961-V963 PolarHBondContact O-N 3.06Å |
| 962 | R | 88 | Confident | 83.3 | Confident | 123 Ų | 123 | 62.1 Ų | 62.1 | 46% | 0.464 | 35% | 0.35 | S | S | . | . | trans | -88.2 | 97.5 | -170.8 | -173 | -175.6 | 173.3 | -159 | -0.2 | 111.8 | M958 P959 A960 D984 D1010 D1011 | M958-R962 PolarHBondContact O-N 2.97Å; P959-R962 WeakPolarHBondContact O-CB 3.48Å; P959-R962 PolarHBondContact O-N 2.67Å; A960-R962 PolarHBondContact O-N 2.72Å; A960-R962 VanDerWaalsContact O-N 3.15Å; R962-D984 IonicContact NH2-OD1 3.03Å; R962-D984 PolarHBondContact NH2-OD1 2.98Å; R962-D1010 WeakPolarHBondContact O-CA 3.38Å; R962-D1011 IonicContact CZ-OD2 3.95Å; R962-D1011 IonicContact NE-OD2 3.86Å; R962-D1011 IonicContact NH1-OD2 2.72Å; R962-D1011 PolarHBondContact NH1-OD2 2.8Å | ||
| 963 | V | 89.9 | Confident | 82.8 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 16% | 0.164 | 37% | 0.369 | C | S | . | . | trans | -74.9 | 127.7 | 179.2 | -173.2 | 0 | 0 | 0 | 0 | 113 | P924 A950 D952 S961 Y965 A1008 | P924-V963 HydrophobicContact CB-CG1 4.13Å; P924-V963 HydrophobicContact CB-CG2 4.01Å; P924-V963 HydrophobicContact CG-CG2 4.34Å; A950-V963 HydrophobicContact CB-CG1 4.08Å; D952-V963 HydrophobicContact CB-CG2 3.82Å; S961-V963 PolarHBondContact O-N 3.06Å; V963-Y965 HydrophobicContact CG1-CE1 4.09Å; V963-Y965 HydrophobicContact CG1-CE2 4.2Å; V963-A1008 HydrophobicContact CG1-CB 4.02Å | ||
| 964 | R | 91.7 | Very high | 82.6 | Confident | 59 Ų | 59 | 67.8 Ų | 67.8 | 22% | 0.223 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 156.3 | 168.1 | -63.8 | -164.9 | -68.8 | 153.5 | 4.7 | 111.5 | E983 A1008 F1009 D1011 | R964-E983 CarbonylContact C-O 3.43Å; R964-E983 WeakPolarHBondContact CA-O 3.49Å; R964-E983 HydrophobicContact CB-CG 4.07Å; R964-E983 HydrophobicContact CG-CG 4.43Å; R964-E983 IonicContact CZ-OE1 3.44Å; R964-E983 IonicContact NE-OE1 3Å; R964-E983 IonicContact NH1-OE1 3.76Å; R964-E983 PolarHBondContact NH1-OE1 2.82Å; R964-A1008 CarbonylContact O-C 3.16Å; R964-A1008 WeakPolarHBondContact O-CA 3.23Å; R964-F1009 HydrophobicContact CB-CE1 4Å; R964-F1009 HydrophobicContact CB-CE2 4.02Å; R964-F1009 HydrophobicContact CB-CZ 3.7Å; R964-F1009 PolarHBondContact N-O 2.91Å; R964-F1009 WeakPolarHBondContact O-CD1 3.33Å; R964-F1009 PolarHBondContact O-N 3.09Å; R964-D1011 IonicContact CZ-OD1 2.65Å; R964-D1011 IonicContact CZ-OD2 3.12Å; R964-D1011 IonicContact NE-OD1 3Å; R964-D1011 PolarHBondContact NE-OD1 3.39Å; R964-D1011 IonicContact NE-OD2 3.8Å; R964-D1011 PolarHBondContact NE-OD2 3.28Å; R964-D1011 IonicContact NH2-OD1 2.74Å; R964-D1011 PolarHBondContact NH2-OD1 2.95Å; R964-D1011 IonicContact NH2-OD2 2.79Å |
| 965 | Y | 93.6 | Very high | 82.7 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 6% | 0.055 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 140.3 | -175.1 | -55.6 | -85.1 | 0 | 0 | 0 | 111.9 | F926 V948 A950 V963 E983 G986 V1006 V1007 A1008 | F926-Y965 AromaticContact CE1-CD1 3.96Å; F926-Y965 HydrophobicContact CE1-CD1 3.96Å; F926-Y965 AromaticContact CE1-CE1 3.72Å; F926-Y965 HydrophobicContact CE1-CE1 3.72Å; F926-Y965 HydrophobicContact CZ-CD1 4.14Å; F926-Y965 HydrophobicContact CZ-CE1 4.22Å; V948-Y965 HydrophobicContact CG2-CD1 3.74Å; V948-Y965 HydrophobicContact CG2-CE1 3.9Å; V948-Y965 HydrophobicContact CG2-CG 4.33Å; A950-Y965 HydrophobicContact CB-CE1 4.01Å; A950-Y965 PolarHBondContact N-OH 2.88Å; A950-Y965 PolarHBondContact O-OH 2.85Å; V963-Y965 HydrophobicContact CG1-CE1 4.09Å; V963-Y965 HydrophobicContact CG1-CE2 4.2Å; Y965-E983 WeakPolarHBondContact CD2-O 3.49Å; Y965-E983 PolarHBondContact N-O 2.97Å; Y965-E983 WeakPolarHBondContact O-CA 3.03Å; Y965-G986 VanDerWaalsContact CD2-CA 3.43Å; Y965-V1006 HydrophobicContact CD1-CG1 4.32Å; Y965-V1007 WeakPolarHBondContact CA-O 3.14Å; Y965-A1008 HydrophobicContact CD1-CB 4.02Å; Y965-A1008 HydrophobicContact CE1-CB 3.98Å |
| 966 | R | 91.5 | Very high | 83 | Confident | 109 Ų | 109 | 67.7 Ų | 67.7 | 41% | 0.411 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 159 | 169.6 | 64.4 | -174.2 | 177.6 | 82 | -0.5 | 110.9 | V1007 F1009 | R966-V1007 HydrophobicContact CG-CB 4.01Å; R966-V1007 PolarHBondContact N-O 3.22Å; R966-V1007 PolarHBondContact O-N 3.11Å; R966-F1009 HydrophobicContact CB-CD1 4.45Å; R966-F1009 HydrophobicContact CB-CE1 3.8Å; R966-F1009 HydrophobicContact CG-CD1 3.76Å; R966-F1009 HydrophobicContact CG-CE1 3.57Å |
| 967 | V | 89.8 | Confident | 83.2 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 141.3 | 171.3 | -178 | 0 | 0 | 0 | 0 | 109.6 | D969 A976 V981 L1004 | V967-D969 PolarHBondContact O-N 3.13Å; V967-D969 VanDerWaalsContact O-N 3.16Å; V967-A976 HydrophobicContact CG1-CB 3.52Å; V967-V981 HydrophobicContact CG2-CB 4.25Å; V967-V981 HydrophobicContact CG2-CG1 3.92Å; V967-L1004 HydrophobicContact CG1-CD1 3.42Å; V967-L1004 VanDerWaalsContact CG1-CD1 3.42Å; V967-L1004 HydrophobicContact CG1-CG 4.09Å; V967-L1004 HydrophobicContact CG2-CD1 4.34Å; V967-L1004 HydrophobicContact CG2-CD2 4.38Å |
| 968 | D | 85.2 | Confident | 83.5 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 16% | 0.155 | 31% | 0.31 | C | S | . | . | trans | -77.4 | 93.1 | 166.6 | -171.1 | -15.8 | 0 | 0 | 0 | 109.8 | V970 Q971 V1005 V1007 | D968-V970 VanDerWaalsContact C-N 3.28Å; D968-V970 PolarHBondContact OD1-N 3.3Å; D968-V970 VanDerWaalsContact OD1-N 3.08Å; D968-Q971 PolarHBondContact OD1-N 2.79Å; D968-Q971 WeakPolarHBondContact OD2-CB 3.37Å; D968-Q971 WeakPolarHBondContact OD2-CG 3.46Å; D968-V1005 HydrophobicContact CB-CB 4.11Å; D968-V1005 HydrophobicContact CB-CG1 4.07Å; D968-V1005 PolarHBondContact N-O 2.86Å; D968-V1007 HydrophobicContact CB-CG2 4.02Å | ||
| 969 | D | 78.7 | Confident | 83.9 | Confident | 102 Ų | 102 | 58.6 Ų | 58.6 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -10.9 | 177.5 | 66.4 | -20.2 | 0 | 0 | 0 | 113.4 | V967 P973 A976 | V967-D969 PolarHBondContact O-N 3.13Å; V967-D969 VanDerWaalsContact O-N 3.16Å; D969-P973 WeakPolarHBondContact O-CA 3.02Å; D969-P973 WeakPolarHBondContact O-CB 3.12Å; D969-A976 HydrophobicContact CB-CB 3.95Å |
| 970 | V | 74.7 | Confident | 84.2 | Confident | 121 Ų | 121 | 56.9 Ų | 56.9 | 73% | 0.733 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -50.7 | -179.4 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | D968 | D968-V970 VanDerWaalsContact C-N 3.28Å; D968-V970 PolarHBondContact OD1-N 3.3Å; D968-V970 VanDerWaalsContact OD1-N 3.08Å |
| 971 | Q | 73.4 | Confident | 84.8 | Confident | 137 Ų | 137 | 56.9 Ų | 56.9 | 64% | 0.64 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -38.4 | -179.7 | -72.7 | -88 | -21.1 | 0 | 0 | 112.1 | D968 | D968-Q971 PolarHBondContact OD1-N 2.79Å; D968-Q971 WeakPolarHBondContact OD2-CB 3.37Å; D968-Q971 WeakPolarHBondContact OD2-CG 3.46Å |
| 972 | F | 76.1 | Confident | 85.2 | Confident | 75 Ų | 75 | 58.7 Ų | 58.7 | 33% | 0.329 | 29% | 0.288 | S | S | . | . | trans | -134.4 | 68 | -172.8 | -63.7 | -81 | 0 | 0 | 0 | 112.3 | Y974 P975 A976 V1005 | F972-Y974 VanDerWaalsContact C-N 3.31Å; F972-Y974 PolarHBondContact O-N 3.2Å; F972-P975 HydrophobicContact CB-CG 4.17Å; F972-P975 WeakPolarHBondContact O-CD 3.39Å; F972-A976 VanDerWaalsContact O-CB 3.31Å; F972-A976 WeakPolarHBondContact O-CB 3.18Å; F972-A976 PolarHBondContact O-N 2.72Å; F972-A976 VanDerWaalsContact O-N 3.1Å; F972-V1005 HydrophobicContact CD2-CB 4.12Å; F972-V1005 HydrophobicContact CD2-CG2 3.51Å; F972-V1005 HydrophobicContact CE2-CB 4.44Å; F972-V1005 HydrophobicContact CE2-CG2 3.45Å; F972-V1005 VanDerWaalsContact CE2-CG2 3.45Å; F972-V1005 HydrophobicContact CZ-CG2 4.49Å | ||
| 973 | P | 77.1 | Confident | 85.3 | Confident | 82 Ų | 82 | 57.1 Ų | 57.1 | 53% | 0.532 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -33.5 | -172.7 | 22.6 | -33.3 | 0 | 0 | 0 | 113.5 | D969 S977 | D969-P973 WeakPolarHBondContact O-CA 3.02Å; D969-P973 WeakPolarHBondContact O-CB 3.12Å; P973-S977 WeakPolarHBondContact O-CB 3.23Å; P973-S977 PolarHBondContact O-N 3.4Å |
| 974 | Y | 80.3 | Confident | 85.2 | Confident | 134 Ų | 134 | 61.1 Ų | 61.1 | 53% | 0.525 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.5 | -56.4 | -179.1 | -176.5 | -107.4 | 0 | 0 | 0 | 112.5 | F972 A976 S977 I978 E996 F1002 | F972-Y974 VanDerWaalsContact C-N 3.31Å; F972-Y974 PolarHBondContact O-N 3.2Å; Y974-A976 VanDerWaalsContact C-N 3.26Å; Y974-A976 PolarHBondContact O-N 2.83Å; Y974-S977 WeakPolarHBondContact O-CB 3.21Å; Y974-S977 PolarHBondContact O-N 3.5Å; Y974-S977 PolarHBondContact O-OG 2.87Å; Y974-I978 HydrophobicContact CD1-CD1 4.11Å; Y974-I978 HydrophobicContact CE1-CD1 3.64Å; Y974-I978 HydrophobicContact CE2-CD1 4.17Å; Y974-I978 PolarHBondContact O-N 2.69Å; Y974-E996 PolarHBondContact OH-OE1 2.83Å; Y974-F1002 HydrophobicContact CD1-CE1 4.12Å; Y974-F1002 AromaticContact CE1-CE1 3.72Å; Y974-F1002 HydrophobicContact CE1-CE1 3.72Å; Y974-F1002 HydrophobicContact CE1-CZ 4.47Å |
| 975 | P | 84 | Confident | 85 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -53.2 | -40.6 | 170.4 | -26.7 | 33.6 | 0 | 0 | 0 | 113.7 | F972 S977 I978 F979 F1002 K1003 L1004 | F972-P975 HydrophobicContact CB-CG 4.17Å; F972-P975 WeakPolarHBondContact O-CD 3.39Å; P975-S977 VanDerWaalsContact C-N 3.26Å; P975-S977 PolarHBondContact O-N 2.91Å; P975-I978 PolarHBondContact O-N 2.63Å; P975-I978 VanDerWaalsContact O-N 3.1Å; P975-F979 WeakPolarHBondContact O-CD2 3.39Å; P975-F979 PolarHBondContact O-N 2.95Å; P975-F1002 HydrophobicContact CB-CD1 4.44Å; P975-F1002 HydrophobicContact CG-CD1 4.3Å; P975-K1003 WeakPolarHBondContact CG-O 3.49Å; P975-L1004 HydrophobicContact CB-CD1 3.98Å |
| 976 | A | 83.9 | Confident | 84.8 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.5 | -23.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V967 D969 F972 Y974 I978 F979 R991 | V967-A976 HydrophobicContact CG1-CB 3.52Å; D969-A976 HydrophobicContact CB-CB 3.95Å; F972-A976 VanDerWaalsContact O-CB 3.31Å; F972-A976 WeakPolarHBondContact O-CB 3.18Å; F972-A976 PolarHBondContact O-N 2.72Å; F972-A976 VanDerWaalsContact O-N 3.1Å; Y974-A976 VanDerWaalsContact C-N 3.26Å; Y974-A976 PolarHBondContact O-N 2.83Å; A976-I978 VanDerWaalsContact C-N 3.34Å; A976-F979 CarbonylContact C-O 3.53Å; A976-R991 PolarHBondContact O-NE 3.41Å |
| 977 | S | 81.3 | Confident | 84.7 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 42% | 0.42 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -75.4 | -24.2 | 172.3 | 76.4 | 0 | 0 | 0 | 0 | 112.8 | P973 Y974 P975 | P973-S977 WeakPolarHBondContact O-CB 3.23Å; P973-S977 PolarHBondContact O-N 3.4Å; Y974-S977 WeakPolarHBondContact O-CB 3.21Å; Y974-S977 PolarHBondContact O-N 3.5Å; Y974-S977 PolarHBondContact O-OG 2.87Å; P975-S977 VanDerWaalsContact C-N 3.26Å; P975-S977 PolarHBondContact O-N 2.91Å |
| 978 | I | 85.3 | Confident | 84.7 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 5% | 0.046 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -96.9 | -38.5 | -176.6 | -59 | 167.4 | 0 | 0 | 0 | 111.8 | Y974 P975 A976 R991 V992 L994 E996 F1002 | Y974-I978 HydrophobicContact CD1-CD1 4.11Å; Y974-I978 HydrophobicContact CE1-CD1 3.64Å; Y974-I978 HydrophobicContact CE2-CD1 4.17Å; Y974-I978 PolarHBondContact O-N 2.69Å; P975-I978 PolarHBondContact O-N 2.63Å; P975-I978 VanDerWaalsContact O-N 3.1Å; A976-I978 VanDerWaalsContact C-N 3.34Å; I978-R991 WeakPolarHBondContact O-CB 3.37Å; I978-R991 PolarHBondContact O-N 2.88Å; I978-V992 HydrophobicContact CG2-CG2 4.21Å; I978-L994 HydrophobicContact CG2-CD1 3.9Å; I978-L994 HydrophobicContact CG2-CG 4.17Å; I978-E996 WeakPolarHBondContact CD1-OE1 3.33Å; I978-F1002 HydrophobicContact CD1-CD1 4.36Å; I978-F1002 HydrophobicContact CD1-CE1 3.53Å; I978-F1002 HydrophobicContact CD1-CZ 3.84Å |
| 979 | F | 90 | Very high | 84.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 150.8 | -176.1 | -54.4 | -73 | 0 | 0 | 0 | 110.8 | V935 I945 P975 A976 V989 T990 L994 F1002 L1004 I1024 | V935-F979 HydrophobicContact CG1-CE1 4.41Å; V935-F979 HydrophobicContact CG1-CZ 4.44Å; I945-F979 HydrophobicContact CD1-CD1 3.24Å; I945-F979 HydrophobicContact CD1-CE1 3.32Å; I945-F979 HydrophobicContact CD1-CG 4.35Å; I945-F979 HydrophobicContact CD1-CZ 4.48Å; P975-F979 WeakPolarHBondContact O-CD2 3.39Å; P975-F979 PolarHBondContact O-N 2.95Å; A976-F979 CarbonylContact C-O 3.53Å; F979-V989 WeakPolarHBondContact CA-O 3.12Å; F979-T990 HydrophobicContact CD1-CG2 4.18Å; F979-T990 HydrophobicContact CE1-CG2 4.04Å; F979-L994 HydrophobicContact CE1-CD1 3.94Å; F979-L994 HydrophobicContact CZ-CD1 4.34Å; F979-L994 HydrophobicContact CZ-CD2 4.27Å; F979-F1002 HydrophobicContact CD2-CB 4.47Å; F979-F1002 HydrophobicContact CD2-CG 4.47Å; F979-F1002 HydrophobicContact CE2-CB 3.8Å; F979-F1002 AromaticContact CE2-CD1 3.97Å; F979-F1002 HydrophobicContact CE2-CD1 3.97Å; F979-F1002 AromaticContact CE2-CD2 3.57Å; F979-F1002 HydrophobicContact CE2-CD2 3.57Å; F979-F1002 HydrophobicContact CE2-CE1 4.46Å; F979-F1002 HydrophobicContact CE2-CE2 4.12Å; F979-F1002 AromaticContact CE2-CG 3.49Å; F979-F1002 HydrophobicContact CE2-CG 3.49Å; F979-F1002 VanDerWaalsContact CE2-CG 3.49Å; F979-F1002 AromaticContact CZ-CD2 3.79Å; F979-F1002 HydrophobicContact CZ-CD2 3.79Å; F979-F1002 HydrophobicContact CZ-CE2 4.17Å; F979-F1002 HydrophobicContact CZ-CG 4.2Å; F979-L1004 HydrophobicContact CB-CD1 4.12Å; F979-L1004 HydrophobicContact CB-CD2 3.85Å; F979-I1024 HydrophobicContact CB-CD1 4.31Å; F979-I1024 HydrophobicContact CD1-CD1 3.83Å; F979-I1024 HydrophobicContact CD2-CD1 3.74Å; F979-I1024 HydrophobicContact CE1-CD1 4.03Å; F979-I1024 HydrophobicContact CE1-CG2 4.15Å; F979-I1024 HydrophobicContact CE2-CD1 3.96Å; F979-I1024 HydrophobicContact CG-CD1 3.66Å; F979-I1024 HydrophobicContact CZ-CB 4.49Å; F979-I1024 HydrophobicContact CZ-CD1 4.09Å; F979-I1024 HydrophobicContact CZ-CG2 3.96Å |
| 980 | D | 89.6 | Confident | 85.1 | Confident | 47 Ų | 47 | 54.2 Ų | 54.2 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 165.4 | 174.9 | -149.7 | 1.2 | 0 | 0 | 0 | 109.9 | V988 V989 R991 | D980-V988 CarbonylContact O-C 3.48Å; D980-V988 WeakPolarHBondContact O-CA 3.3Å; D980-V989 HydrophobicContact CB-CG2 4.23Å; D980-V989 PolarHBondContact N-O 2.79Å; D980-V989 PolarHBondContact O-N 2.78Å; D980-R991 HydrophobicContact CB-CB 4.26Å; D980-R991 HydrophobicContact CB-CG 4.47Å; D980-R991 IonicContact OD1-CZ 3.47Å; D980-R991 IonicContact OD1-NH1 3.21Å; D980-R991 IonicContact OD1-NH2 2.83Å; D980-R991 PolarHBondContact OD1-NH2 2.73Å; D980-R991 IonicContact OD2-CZ 3.94Å; D980-R991 IonicContact OD2-NE 3.15Å; D980-R991 IonicContact OD2-NH1 2.62Å; D980-R991 PolarHBondContact OD2-NH1 3.15Å; D980-R991 IonicContact OD2-NH2 3.89Å; D980-R991 PolarHBondContact OD2-NH2 2.89Å; D980-R991 VanDerWaalsContact OD2-NH2 3.12Å |
| 981 | V | 92.6 | Very high | 85.5 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.3 | 170.2 | 69.2 | 0 | 0 | 0 | 0 | 108.8 | V948 V967 E983 R987 V988 V1006 | V948-V981 HydrophobicContact CG2-CG2 4.31Å; V967-V981 HydrophobicContact CG2-CB 4.25Å; V967-V981 HydrophobicContact CG2-CG1 3.92Å; V981-E983 PolarHBondContact O-N 2.74Å; V981-R987 WeakPolarHBondContact CA-O 3.3Å; V981-V988 HydrophobicContact CG2-CG2 4.21Å; V981-V1006 HydrophobicContact CB-CG1 4.44Å; V981-V1006 HydrophobicContact CG1-CG1 4.14Å; V981-V1006 HydrophobicContact CG2-CG1 4.28Å |
| 982 | E | 92 | Very high | 85.9 | Confident | 62 Ų | 62 | 49.6 Ų | 49.6 | 29% | 0.29 | 25% | 0.25 | S | S | . | . | trans | -69.2 | 126.3 | 170.9 | -78.7 | 173.2 | -158.6 | 0 | 0 | 110.2 | D984 S985 G986 R987 | E982-D984 PolarHBondContact O-N 3.18Å; E982-S985 WeakPolarHBondContact CB-OG 3.45Å; E982-S985 PolarHBondContact O-N 2.97Å; E982-S985 PolarHBondContact OE2-OG 3.18Å; E982-G986 PolarHBondContact O-N 3.29Å; E982-G986 VanDerWaalsContact O-N 3.08Å; E982-R987 HydrophobicContact CB-CB 4.32Å; E982-R987 PolarHBondContact N-O 3Å; E982-R987 IonicContact OE1-CZ 3.43Å; E982-R987 IonicContact OE1-NE 2.83Å; E982-R987 PolarHBondContact OE1-NE 3.06Å; E982-R987 IonicContact OE1-NH2 3.42Å; E982-R987 PolarHBondContact OE1-NH2 3.06Å; E982-R987 IonicContact OE2-CZ 3.24Å; E982-R987 IonicContact OE2-NE 2.77Å; E982-R987 PolarHBondContact OE2-NE 2.9Å; E982-R987 IonicContact OE2-NH2 3.41Å; E982-R987 PolarHBondContact OE2-NH2 3.43Å | ||
| 983 | E | 90.8 | Very high | 85.9 | Confident | 90 Ų | 90 | 51.2 Ų | 51.2 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -42.8 | -167.5 | -170.4 | 171.6 | -173.9 | 0 | 0 | 113.6 | R964 Y965 V981 | R964-E983 CarbonylContact C-O 3.43Å; R964-E983 WeakPolarHBondContact CA-O 3.49Å; R964-E983 HydrophobicContact CB-CG 4.07Å; R964-E983 HydrophobicContact CG-CG 4.43Å; R964-E983 IonicContact CZ-OE1 3.44Å; R964-E983 IonicContact NE-OE1 3Å; R964-E983 IonicContact NH1-OE1 3.76Å; R964-E983 PolarHBondContact NH1-OE1 2.82Å; Y965-E983 WeakPolarHBondContact CD2-O 3.49Å; Y965-E983 PolarHBondContact N-O 2.97Å; Y965-E983 WeakPolarHBondContact O-CA 3.03Å; V981-E983 PolarHBondContact O-N 2.74Å |
| 984 | D | 88.1 | Confident | 86.1 | Confident | 112 Ų | 112 | 47.8 Ų | 47.8 | 60% | 0.599 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -24.3 | -178.2 | -56.8 | -65.6 | 0 | 0 | 0 | 113.7 | R962 E982 | R962-D984 IonicContact NH2-OD1 3.03Å; R962-D984 PolarHBondContact NH2-OD1 2.98Å; E982-D984 PolarHBondContact O-N 3.18Å |
| 985 | S | 88 | Confident | 86 | Confident | 54 Ų | 54 | 48.8 Ų | 48.8 | 38% | 0.378 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -15.7 | -171 | 78.8 | 0 | 0 | 0 | 0 | 114.2 | E982 R987 | E982-S985 WeakPolarHBondContact CB-OG 3.45Å; E982-S985 PolarHBondContact O-N 2.97Å; E982-S985 PolarHBondContact OE2-OG 3.18Å; S985-R987 PolarHBondContact O-N 3.21Å; S985-R987 VanDerWaalsContact OG-CB 3.28Å; S985-R987 WeakPolarHBondContact OG-CB 3.44Å; S985-R987 PolarHBondContact OG-N 3.31Å |
| 986 | G | 87.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | 68.2 | 11.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T947 V948 Y965 E982 V988 | T947-G986 WeakPolarHBondContact CA-O 3.2Å; V948-G986 VanDerWaalsContact CG2-O 3.31Å; V948-G986 WeakPolarHBondContact CG2-O 3.29Å; V948-G986 PolarHBondContact N-O 2.74Å; Y965-G986 VanDerWaalsContact CD2-CA 3.43Å; E982-G986 PolarHBondContact O-N 3.29Å; E982-G986 VanDerWaalsContact O-N 3.08Å; G986-V988 PolarHBondContact O-N 3.34Å | ||
| 987 | R | 90.3 | Very high | 85.3 | Confident | 108 Ų | 108 | 57 Ų | 57 | 41% | 0.408 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 119 | -179.1 | -169.5 | 167.4 | 65.3 | -153.2 | 2.9 | 110.7 | P944 V981 E982 S985 V989 | P944-R987 HydrophobicContact CB-CG 4.24Å; V981-R987 WeakPolarHBondContact CA-O 3.3Å; E982-R987 HydrophobicContact CB-CB 4.32Å; E982-R987 PolarHBondContact N-O 3Å; E982-R987 IonicContact OE1-CZ 3.43Å; E982-R987 IonicContact OE1-NE 2.83Å; E982-R987 PolarHBondContact OE1-NE 3.06Å; E982-R987 IonicContact OE1-NH2 3.42Å; E982-R987 PolarHBondContact OE1-NH2 3.06Å; E982-R987 IonicContact OE2-CZ 3.24Å; E982-R987 IonicContact OE2-NE 2.77Å; E982-R987 PolarHBondContact OE2-NE 2.9Å; E982-R987 IonicContact OE2-NH2 3.41Å; E982-R987 PolarHBondContact OE2-NH2 3.43Å; S985-R987 PolarHBondContact O-N 3.21Å; S985-R987 VanDerWaalsContact OG-CB 3.28Å; S985-R987 WeakPolarHBondContact OG-CB 3.44Å; S985-R987 PolarHBondContact OG-N 3.31Å; R987-V989 HydrophobicContact CG-CG1 4.09Å |
| 988 | V | 89.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.7 | 176.6 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | I945 T946 V948 D980 V981 G986 L1004 V1022 I1024 | I945-V988 HydrophobicContact CD1-CG1 4.46Å; I945-V988 PolarHBondContact N-O 3.33Å; T946-V988 HydrophobicContact CG2-CB 4.15Å; T946-V988 HydrophobicContact CG2-CG2 4.05Å; T946-V988 PolarHBondContact O-N 2.79Å; V948-V988 HydrophobicContact CG1-CG2 4.21Å; D980-V988 CarbonylContact O-C 3.48Å; D980-V988 WeakPolarHBondContact O-CA 3.3Å; V981-V988 HydrophobicContact CG2-CG2 4.21Å; G986-V988 PolarHBondContact O-N 3.34Å; V988-L1004 HydrophobicContact CG1-CD2 3.79Å; V988-V1022 HydrophobicContact CG2-CG2 4.36Å; V988-I1024 HydrophobicContact CG1-CD1 4.32Å |
| 989 | V | 87.9 | Confident | 84.4 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 159.9 | -174 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | T943 F979 D980 R987 | T943-V989 WeakPolarHBondContact O-CA 3.46Å; F979-V989 WeakPolarHBondContact CA-O 3.12Å; D980-V989 HydrophobicContact CB-CG2 4.23Å; D980-V989 PolarHBondContact N-O 2.79Å; D980-V989 PolarHBondContact O-N 2.78Å; R987-V989 HydrophobicContact CG-CG1 4.09Å |
| 990 | T | 84.3 | Confident | 84 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 124 | 170.2 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | V935 A939 V940 K941 G942 T943 I945 F979 V992 L994 | V935-T990 HydrophobicContact CG2-CG2 3.97Å; A939-T990 HydrophobicContact CB-CG2 4.42Å; V940-T990 PolarHBondContact O-OG1 3.46Å; K941-T990 WeakPolarHBondContact CA-OG1 3.3Å; G942-T990 PolarHBondContact N-O 3.05Å; G942-T990 PolarHBondContact N-OG1 3.36Å; T943-T990 PolarHBondContact N-OG1 3.06Å; T943-T990 PolarHBondContact O-N 2.85Å; T943-T990 VanDerWaalsContact O-N 3.09Å; I945-T990 HydrophobicContact CD1-CG2 3.96Å; I945-T990 HydrophobicContact CG1-CG2 4.38Å; F979-T990 HydrophobicContact CD1-CG2 4.18Å; F979-T990 HydrophobicContact CE1-CG2 4.04Å; T990-V992 WeakPolarHBondContact CB-O 3.46Å; T990-L994 HydrophobicContact CG2-CD1 3.37Å |
| 991 | R | 82.9 | Confident | 83.8 | Confident | 100 Ų | 100 | 64.5 Ų | 64.5 | 38% | 0.377 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -76.1 | -27.8 | 176.5 | -164.9 | -171.5 | -70.7 | -90.2 | 8.4 | 111.9 | K941 A976 I978 D980 | K941-R991 WeakPolarHBondContact CD-O 3.45Å; K941-R991 WeakPolarHBondContact CE-O 3.4Å; K941-R991 VanDerWaalsContact CG-O 3.3Å; K941-R991 WeakPolarHBondContact CG-O 3.44Å; A976-R991 PolarHBondContact O-NE 3.41Å; I978-R991 WeakPolarHBondContact O-CB 3.37Å; I978-R991 PolarHBondContact O-N 2.88Å; D980-R991 HydrophobicContact CB-CB 4.26Å; D980-R991 HydrophobicContact CB-CG 4.47Å; D980-R991 IonicContact OD1-CZ 3.47Å; D980-R991 IonicContact OD1-NH1 3.21Å; D980-R991 IonicContact OD1-NH2 2.83Å; D980-R991 PolarHBondContact OD1-NH2 2.73Å; D980-R991 IonicContact OD2-CZ 3.94Å; D980-R991 IonicContact OD2-NE 3.15Å; D980-R991 IonicContact OD2-NH1 2.62Å; D980-R991 PolarHBondContact OD2-NH1 3.15Å; D980-R991 IonicContact OD2-NH2 3.89Å; D980-R991 PolarHBondContact OD2-NH2 2.89Å; D980-R991 VanDerWaalsContact OD2-NH2 3.12Å |
| 992 | V | 82.2 | Confident | 83.5 | Confident | 62 Ų | 62 | 64.7 Ų | 64.7 | 38% | 0.376 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -131.7 | 166.7 | -178.1 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | I978 T990 L994 | I978-V992 HydrophobicContact CG2-CG2 4.21Å; T990-V992 WeakPolarHBondContact CB-O 3.46Å; V992-L994 PolarHBondContact O-N 2.77Å |
| 993 | N | 76.7 | Confident | 83.2 | Confident | 109 Ų | 109 | 66.9 Ų | 66.9 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | trans | -68.5 | 122.4 | 167 | -63 | -16.6 | 0 | 0 | 0 | 108 | A939 V940 K941 | A939-N993 CarbonylContact O-C 3.14Å; A939-N993 WeakPolarHBondContact O-CA 3.35Å; V940-N993 WeakPolarHBondContact CG1-OD1 3.36Å; K941-N993 WeakPolarHBondContact CB-OD1 3.38Å; K941-N993 PolarHBondContact N-OD1 3.15Å | ||
| 994 | L | 80.5 | Confident | 83.1 | Confident | 9 Ų | 9 | 62.6 Ų | 62.6 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | trans | -68.6 | 144.1 | 177.3 | -98.6 | 86.8 | 0 | 0 | 0 | 110.8 | V935 P937 A939 I978 F979 T990 V992 E996 V1026 | V935-L994 HydrophobicContact CG1-CD2 3.7Å; V935-L994 HydrophobicContact CG2-CD1 4.4Å; V935-L994 HydrophobicContact CG2-CD2 4.26Å; P937-L994 CarbonylContact O-C 3.51Å; P937-L994 WeakPolarHBondContact O-CB 3.19Å; P937-L994 VanDerWaalsContact O-O 3.05Å; A939-L994 HydrophobicContact CB-CB 4.43Å; A939-L994 PolarHBondContact O-N 2.74Å; I978-L994 HydrophobicContact CG2-CD1 3.9Å; I978-L994 HydrophobicContact CG2-CG 4.17Å; F979-L994 HydrophobicContact CE1-CD1 3.94Å; F979-L994 HydrophobicContact CZ-CD1 4.34Å; F979-L994 HydrophobicContact CZ-CD2 4.27Å; T990-L994 HydrophobicContact CG2-CD1 3.37Å; V992-L994 PolarHBondContact O-N 2.77Å; L994-E996 HydrophobicContact CD2-CB 4.33Å; L994-E996 HydrophobicContact CD2-CG 4.25Å; L994-E996 HydrophobicContact CG-CG 4.41Å; L994-V1026 HydrophobicContact CD2-CG2 4.1Å | ||
| 995 | N | 77.2 | Confident | 83.2 | Confident | 155 Ų | 155 | 58 Ų | 58 | 83% | 0.829 | 30% | 0.296 | S | S | * | . | trans | -147.4 | 57.3 | 168.6 | -179.3 | 51.9 | 0 | 0 | 0 | 108 | P937 | P937-N995 WeakPolarHBondContact O-CA 3.32Å; P937-N995 PolarHBondContact O-N 2.77Å | ||
| 996 | E | 78.1 | Confident | 83.4 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 21% | 0.21 | 28% | 0.278 | C | S | . | . | trans | -106.9 | 152.6 | -172.5 | -70.2 | -69.3 | 174.8 | 0 | 0 | 111.3 | P937 Y974 I978 L994 F1002 V1026 | P937-E996 WeakPolarHBondContact CB-O 3.29Å; P937-E996 PolarHBondContact O-N 2.94Å; Y974-E996 PolarHBondContact OH-OE1 2.83Å; I978-E996 WeakPolarHBondContact CD1-OE1 3.33Å; L994-E996 HydrophobicContact CD2-CB 4.33Å; L994-E996 HydrophobicContact CD2-CG 4.25Å; L994-E996 HydrophobicContact CG-CG 4.41Å; E996-F1002 HydrophobicContact CB-CE2 4.39Å; E996-F1002 HydrophobicContact CB-CZ 4.36Å; E996-F1002 HydrophobicContact CG-CE2 4.07Å; E996-F1002 HydrophobicContact CG-CZ 3.7Å; E996-V1026 HydrophobicContact CB-CG2 4.21Å | ||
| 997 | E | 75.7 | Confident | 83.6 | Confident | 149 Ų | 149 | 55.8 Ų | 55.8 | 70% | 0.696 | 28% | 0.28 | S | S | * | . | trans | -63.8 | 140.1 | 178.5 | -72.3 | -175.6 | 170.5 | 0 | 0 | 111 | T1000 | E997-T1000 HydrophobicContact CB-CG2 3.89Å; E997-T1000 WeakPolarHBondContact O-CB 3.31Å; E997-T1000 WeakPolarHBondContact O-CG2 3.33Å; E997-T1000 PolarHBondContact O-N 3.12Å; E997-T1000 PolarHBondContact O-OG1 2.98Å | ||
| 998 | P | 74 | Confident | 83.7 | Confident | 44 Ų | 44 | 50.6 Ų | 50.6 | 29% | 0.286 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 144.5 | 170.9 | -30.7 | 38 | 0 | 0 | 0 | 112.6 | T1000 H1028 P1029 | P998-T1000 PolarHBondContact O-N 2.92Å; P998-H1028 HydrophobicContact CB-CB 4.22Å; P998-H1028 VanDerWaalsContact CB-CD2 3.43Å; P998-H1028 WeakPolarHBondContact CB-CD2 3.21Å; P998-P1029 HydrophobicContact CG-CG 4.49Å |
| 999 | T | 74.1 | Confident | 83.8 | Confident | 93 Ų | 93 | 51.8 Ų | 51.8 | 57% | 0.571 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 5.6 | 178.5 | 72.3 | 0 | 0 | 0 | 0 | 116.2 | V1026 | T999-V1026 VanDerWaalsContact CA-O 3.23Å; T999-V1026 WeakPolarHBondContact CA-O 3.42Å; T999-V1026 PolarHBondContact N-O 2.83Å |
| 1000 | T | 82.2 | Confident | 83.9 | Confident | 37 Ų | 37 | 51 Ų | 51 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | trans | -64.2 | 138.6 | 170.5 | 50.7 | 0 | 0 | 0 | 0 | 110.9 | E997 P998 V1026 | E997-T1000 HydrophobicContact CB-CG2 3.89Å; E997-T1000 WeakPolarHBondContact O-CB 3.31Å; E997-T1000 WeakPolarHBondContact O-CG2 3.33Å; E997-T1000 PolarHBondContact O-N 3.12Å; E997-T1000 PolarHBondContact O-OG1 2.98Å; P998-T1000 PolarHBondContact O-N 2.92Å; T1000-V1026 PolarHBondContact O-N 2.69Å; T1000-V1026 VanDerWaalsContact OG1-CB 3.3Å; T1000-V1026 WeakPolarHBondContact OG1-CB 3.23Å; T1000-V1026 WeakPolarHBondContact OG1-CG2 3.37Å | ||
| 1001 | I | 84.3 | Confident | 84 | Confident | 98 Ų | 98 | 53.1 Ų | 53.1 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 113.2 | -179.8 | -60.2 | 172.5 | 0 | 0 | 0 | 108.9 | I1024 L1025 | I1001-I1024 CarbonylContact C-O 3.6Å; I1001-I1024 WeakPolarHBondContact CA-O 3.39Å; I1001-L1025 HydrophobicContact CD1-CD1 4.31Å; I1001-L1025 HydrophobicContact CG1-CD1 3.63Å |
| 1002 | F | 86.3 | Confident | 83.8 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 142.1 | 171.6 | -63.6 | -83.8 | 0 | 0 | 0 | 110.8 | Y974 P975 I978 F979 E996 R1023 I1024 V1026 | Y974-F1002 HydrophobicContact CD1-CE1 4.12Å; Y974-F1002 AromaticContact CE1-CE1 3.72Å; Y974-F1002 HydrophobicContact CE1-CE1 3.72Å; Y974-F1002 HydrophobicContact CE1-CZ 4.47Å; P975-F1002 HydrophobicContact CB-CD1 4.44Å; P975-F1002 HydrophobicContact CG-CD1 4.3Å; I978-F1002 HydrophobicContact CD1-CD1 4.36Å; I978-F1002 HydrophobicContact CD1-CE1 3.53Å; I978-F1002 HydrophobicContact CD1-CZ 3.84Å; F979-F1002 HydrophobicContact CD2-CB 4.47Å; F979-F1002 HydrophobicContact CD2-CG 4.47Å; F979-F1002 HydrophobicContact CE2-CB 3.8Å; F979-F1002 AromaticContact CE2-CD1 3.97Å; F979-F1002 HydrophobicContact CE2-CD1 3.97Å; F979-F1002 AromaticContact CE2-CD2 3.57Å; F979-F1002 HydrophobicContact CE2-CD2 3.57Å; F979-F1002 HydrophobicContact CE2-CE1 4.46Å; F979-F1002 HydrophobicContact CE2-CE2 4.12Å; F979-F1002 AromaticContact CE2-CG 3.49Å; F979-F1002 HydrophobicContact CE2-CG 3.49Å; F979-F1002 VanDerWaalsContact CE2-CG 3.49Å; F979-F1002 AromaticContact CZ-CD2 3.79Å; F979-F1002 HydrophobicContact CZ-CD2 3.79Å; F979-F1002 HydrophobicContact CZ-CE2 4.17Å; F979-F1002 HydrophobicContact CZ-CG 4.2Å; E996-F1002 HydrophobicContact CB-CE2 4.39Å; E996-F1002 HydrophobicContact CB-CZ 4.36Å; E996-F1002 HydrophobicContact CG-CE2 4.07Å; E996-F1002 HydrophobicContact CG-CZ 3.7Å; F1002-R1023 WeakPolarHBondContact O-CA 3.19Å; F1002-I1024 HydrophobicContact CB-CB 4.22Å; F1002-I1024 PolarHBondContact N-O 2.79Å; F1002-I1024 PolarHBondContact O-N 2.86Å; F1002-V1026 HydrophobicContact CD2-CG2 4.06Å; F1002-V1026 HydrophobicContact CE2-CG2 3.62Å |
| 1003 | K | 86.4 | Confident | 83.6 | Confident | 109 Ų | 109 | 53.9 Ų | 53.9 | 47% | 0.474 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 102.5 | 168 | -65.8 | -179.1 | -177.4 | 176.6 | 0 | 107.1 | P975 T1021 | P975-K1003 WeakPolarHBondContact CG-O 3.49Å; K1003-T1021 HydrophobicContact CB-CG2 4.3Å |
| 1004 | L | 89 | Confident | 83.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 133.8 | 174 | -172 | 73.6 | 0 | 0 | 0 | 107.9 | V967 P975 F979 V988 V1006 T1021 V1022 I1024 | V967-L1004 HydrophobicContact CG1-CD1 3.42Å; V967-L1004 VanDerWaalsContact CG1-CD1 3.42Å; V967-L1004 HydrophobicContact CG1-CG 4.09Å; V967-L1004 HydrophobicContact CG2-CD1 4.34Å; V967-L1004 HydrophobicContact CG2-CD2 4.38Å; P975-L1004 HydrophobicContact CB-CD1 3.98Å; F979-L1004 HydrophobicContact CB-CD1 4.12Å; F979-L1004 HydrophobicContact CB-CD2 3.85Å; V988-L1004 HydrophobicContact CG1-CD2 3.79Å; L1004-V1006 HydrophobicContact CD2-CG2 4.08Å; L1004-V1006 HydrophobicContact CG-CG2 4.34Å; L1004-T1021 CarbonylContact O-C 3.58Å; L1004-T1021 WeakPolarHBondContact O-CA 3.42Å; L1004-V1022 HydrophobicContact CB-CB 4.25Å; L1004-V1022 PolarHBondContact N-O 2.83Å; L1004-V1022 PolarHBondContact O-N 2.89Å; L1004-I1024 HydrophobicContact CB-CD1 4.32Å; L1004-I1024 HydrophobicContact CD2-CD1 4.28Å |
| 1005 | V | 89.7 | Confident | 84.1 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.8 | 172.3 | 176.6 | 0 | 0 | 0 | 0 | 107.6 | D968 F972 | D968-V1005 HydrophobicContact CB-CB 4.11Å; D968-V1005 HydrophobicContact CB-CG1 4.07Å; D968-V1005 PolarHBondContact N-O 2.86Å; F972-V1005 HydrophobicContact CD2-CB 4.12Å; F972-V1005 HydrophobicContact CD2-CG2 3.51Å; F972-V1005 HydrophobicContact CE2-CB 4.44Å; F972-V1005 HydrophobicContact CE2-CG2 3.45Å; F972-V1005 VanDerWaalsContact CE2-CG2 3.45Å; F972-V1005 HydrophobicContact CZ-CG2 4.49Å |
| 1006 | V | 91.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.5 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 107.7 | F926 V948 Y965 V981 L1004 S1019 A1020 V1022 | F926-V1006 HydrophobicContact CZ-CG1 4.19Å; V948-V1006 HydrophobicContact CG2-CG1 4.06Å; Y965-V1006 HydrophobicContact CD1-CG1 4.32Å; V981-V1006 HydrophobicContact CB-CG1 4.44Å; V981-V1006 HydrophobicContact CG1-CG1 4.14Å; V981-V1006 HydrophobicContact CG2-CG1 4.28Å; L1004-V1006 HydrophobicContact CD2-CG2 4.08Å; L1004-V1006 HydrophobicContact CG-CG2 4.34Å; V1006-S1019 CarbonylContact O-C 3.57Å; V1006-S1019 VanDerWaalsContact O-CA 3.26Å; V1006-S1019 WeakPolarHBondContact O-CA 3.42Å; V1006-A1020 PolarHBondContact N-O 2.92Å; V1006-A1020 PolarHBondContact O-N 3.3Å; V1006-V1022 HydrophobicContact CG2-CG2 3.71Å |
| 1007 | V | 91.3 | Very high | 85.2 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.5 | 177.6 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | Y965 R966 D968 S1018 | Y965-V1007 WeakPolarHBondContact CA-O 3.14Å; R966-V1007 HydrophobicContact CG-CB 4.01Å; R966-V1007 PolarHBondContact N-O 3.22Å; R966-V1007 PolarHBondContact O-N 3.11Å; D968-V1007 HydrophobicContact CB-CG2 4.02Å; V1007-S1018 CarbonylContact C-O 3.54Å; V1007-S1018 VanDerWaalsContact CA-O 3.24Å; V1007-S1018 WeakPolarHBondContact CA-O 3.37Å; V1007-S1018 WeakPolarHBondContact CG1-O 3.46Å |
| 1008 | A | 92.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | P924 F926 A950 V963 R964 Y965 S1017 S1018 | P924-A1008 HydrophobicContact CB-CB 3.97Å; F926-A1008 HydrophobicContact CD2-CB 4.28Å; F926-A1008 HydrophobicContact CE1-CB 4.09Å; F926-A1008 HydrophobicContact CE2-CB 3.47Å; F926-A1008 VanDerWaalsContact CE2-CB 3.47Å; F926-A1008 HydrophobicContact CZ-CB 3.37Å; A950-A1008 HydrophobicContact CB-CB 3.79Å; V963-A1008 HydrophobicContact CG1-CB 4.02Å; R964-A1008 CarbonylContact O-C 3.16Å; R964-A1008 WeakPolarHBondContact O-CA 3.23Å; Y965-A1008 HydrophobicContact CD1-CB 4.02Å; Y965-A1008 HydrophobicContact CE1-CB 3.98Å; A1008-S1017 CarbonylContact O-C 3.55Å; A1008-S1017 WeakPolarHBondContact O-CA 3.28Å; A1008-S1017 VanDerWaalsContact O-CB 3.26Å; A1008-S1017 WeakPolarHBondContact O-CB 3.37Å; A1008-S1018 PolarHBondContact N-O 3.36Å; A1008-S1018 PolarHBondContact O-N 2.89Å |
| 1009 | F | 91.8 | Very high | 86.7 | Confident | 25 Ų | 25 | 49 Ų | 49 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 146.8 | 179.3 | 65.1 | -80.1 | 0 | 0 | 0 | 109.5 | R964 R966 V1015 M1016 | R964-F1009 HydrophobicContact CB-CE1 4Å; R964-F1009 HydrophobicContact CB-CE2 4.02Å; R964-F1009 HydrophobicContact CB-CZ 3.7Å; R964-F1009 PolarHBondContact N-O 2.91Å; R964-F1009 WeakPolarHBondContact O-CD1 3.33Å; R964-F1009 PolarHBondContact O-N 3.09Å; R966-F1009 HydrophobicContact CB-CD1 4.45Å; R966-F1009 HydrophobicContact CB-CE1 3.8Å; R966-F1009 HydrophobicContact CG-CD1 3.76Å; R966-F1009 HydrophobicContact CG-CE1 3.57Å; F1009-V1015 HydrophobicContact CB-CG1 4.09Å; F1009-V1015 HydrophobicContact CD2-CG1 4.31Å; F1009-M1016 VanDerWaalsContact CA-O 3.23Å; F1009-M1016 WeakPolarHBondContact CA-O 3.39Å; F1009-M1016 WeakPolarHBondContact CB-O 3.44Å |
| 1010 | D | 90.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -88.3 | 176.1 | 174.8 | 53.7 | 60.7 | 0 | 0 | 0 | 112.2 | N920 P924 A960 R962 G1012 V1015 M1016 | N920-D1010 PolarHBondContact ND2-OD1 3.47Å; N920-D1010 PolarHBondContact ND2-OD2 2.81Å; P924-D1010 WeakPolarHBondContact CD-OD2 3.45Å; P924-D1010 HydrophobicContact CG-CB 4.05Å; A960-D1010 WeakPolarHBondContact O-CB 3.42Å; R962-D1010 WeakPolarHBondContact O-CA 3.38Å; D1010-G1012 PolarHBondContact OD1-N 3.34Å; D1010-V1015 WeakPolarHBondContact O-CG1 3.21Å; D1010-V1015 WeakPolarHBondContact OD1-CA 3.25Å; D1010-M1016 PolarHBondContact N-O 2.82Å; D1010-M1016 PolarHBondContact OD1-N 2.99Å; D1010-M1016 VanDerWaalsContact OD2-C 3.23Å; D1010-M1016 WeakPolarHBondContact OD2-CA 3.31Å; D1010-M1016 WeakPolarHBondContact OD2-CB 3.36Å; D1010-M1016 PolarHBondContact OD2-N 3.27Å | ||
| 1011 | D | 85.4 | Confident | 87.8 | Confident | 44 Ų | 44 | 45.1 Ų | 45.1 | 24% | 0.235 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -100.4 | 20.1 | 170.6 | -71.6 | -18.9 | 0 | 0 | 0 | 111.7 | P959 R962 R964 | P959-D1011 HydrophobicContact CB-CB 3.98Å; P959-D1011 WeakPolarHBondContact CB-O 3.32Å; P959-D1011 CarbonylContact O-C 3.45Å; P959-D1011 WeakPolarHBondContact O-CA 3.29Å; P959-D1011 WeakPolarHBondContact O-CB 3.34Å; P959-D1011 PolarHBondContact O-N 3.4Å; R962-D1011 IonicContact CZ-OD2 3.95Å; R962-D1011 IonicContact NE-OD2 3.86Å; R962-D1011 IonicContact NH1-OD2 2.72Å; R962-D1011 PolarHBondContact NH1-OD2 2.8Å; R964-D1011 IonicContact CZ-OD1 2.65Å; R964-D1011 IonicContact CZ-OD2 3.12Å; R964-D1011 IonicContact NE-OD1 3Å; R964-D1011 PolarHBondContact NE-OD1 3.39Å; R964-D1011 IonicContact NE-OD2 3.8Å; R964-D1011 PolarHBondContact NE-OD2 3.28Å; R964-D1011 IonicContact NH2-OD1 2.74Å; R964-D1011 PolarHBondContact NH2-OD1 2.95Å; R964-D1011 IonicContact NH2-OD2 2.79Å |
| 1012 | G | 80.5 | Confident | 88.1 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -77.5 | 167.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D1010 P1014 V1015 | D1010-G1012 PolarHBondContact OD1-N 3.34Å; G1012-P1014 CarbonylContact C-O 3.55Å; G1012-P1014 CarbonylContact O-C 3.54Å; G1012-P1014 VanDerWaalsContact O-C 3.24Å; G1012-V1015 VanDerWaalsContact O-CA 3.26Å; G1012-V1015 WeakPolarHBondContact O-CA 3.15Å; G1012-V1015 VanDerWaalsContact O-CG2 3.22Å; G1012-V1015 WeakPolarHBondContact O-CG2 3.21Å; G1012-V1015 PolarHBondContact O-N 3.07Å |
| 1013 | E | 76.8 | Confident | 88.2 | Confident | 174 Ų | 174 | 45 Ų | 45 | 81% | 0.813 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -121.2 | 113.9 | 172.3 | -76.8 | -171.8 | 173.8 | 0 | 0 | 109.9 | ||
| 1014 | P | 83 | Confident | 88.2 | Confident | 95 Ų | 95 | 39.8 Ų | 39.8 | 62% | 0.617 | 22% | 0.223 | S | C | * | . | S | Bend | cis | -69.6 | 151.1 | -2.3 | 31.8 | -34.7 | 0 | 0 | 0 | 112 | N920 G1012 M1016 | N920-P1014 PolarHBondContact ND2-O 2.61Å; G1012-P1014 CarbonylContact C-O 3.55Å; G1012-P1014 CarbonylContact O-C 3.54Å; G1012-P1014 VanDerWaalsContact O-C 3.24Å; P1014-M1016 PolarHBondContact O-N 3.49Å |
| 1015 | V | 85.5 | Confident | 87.9 | Confident | 90 Ų | 90 | 42.3 Ų | 42.3 | 55% | 0.545 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -64.9 | 123 | 175.3 | 173.4 | 0 | 0 | 0 | 0 | 108.8 | F1009 D1010 G1012 | F1009-V1015 HydrophobicContact CB-CG1 4.09Å; F1009-V1015 HydrophobicContact CD2-CG1 4.31Å; D1010-V1015 WeakPolarHBondContact O-CG1 3.21Å; D1010-V1015 WeakPolarHBondContact OD1-CA 3.25Å; G1012-V1015 VanDerWaalsContact O-CA 3.26Å; G1012-V1015 WeakPolarHBondContact O-CA 3.15Å; G1012-V1015 VanDerWaalsContact O-CG2 3.22Å; G1012-V1015 WeakPolarHBondContact O-CG2 3.21Å; G1012-V1015 PolarHBondContact O-N 3.07Å |
| 1016 | M | 87.5 | Confident | 87.5 | Confident | 45 Ų | 45 | 41.6 Ų | 41.6 | 22% | 0.222 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -101.6 | 154.9 | 172.7 | -63.8 | -144.3 | -73.8 | 0 | 0 | 111.4 | N920 D921 P923 F1009 D1010 P1014 | N920-M1016 VanDerWaalsContact OD1-CE 3.31Å; N920-M1016 WeakPolarHBondContact OD1-CE 3.48Å; D921-M1016 WeakPolarHBondContact O-CE 3.43Å; P923-M1016 HydrophobicContact CB-CB 3.97Å; P923-M1016 HydrophobicContact CB-CE 4.25Å; P923-M1016 HydrophobicContact CB-SD 4.39Å; P923-M1016 VanDerWaalsContact N-CE 3.33Å; F1009-M1016 VanDerWaalsContact CA-O 3.23Å; F1009-M1016 WeakPolarHBondContact CA-O 3.39Å; F1009-M1016 WeakPolarHBondContact CB-O 3.44Å; D1010-M1016 PolarHBondContact N-O 2.82Å; D1010-M1016 PolarHBondContact OD1-N 2.99Å; D1010-M1016 VanDerWaalsContact OD2-C 3.23Å; D1010-M1016 WeakPolarHBondContact OD2-CA 3.31Å; D1010-M1016 WeakPolarHBondContact OD2-CB 3.36Å; D1010-M1016 PolarHBondContact OD2-N 3.27Å; P1014-M1016 PolarHBondContact O-N 3.49Å |
| 1017 | S | 90.1 | Very high | 86.8 | Confident | 62 Ų | 62 | 41.9 Ų | 41.9 | 43% | 0.434 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 149.4 | -174.4 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | A1008 | A1008-S1017 CarbonylContact O-C 3.55Å; A1008-S1017 WeakPolarHBondContact O-CA 3.28Å; A1008-S1017 VanDerWaalsContact O-CB 3.26Å; A1008-S1017 WeakPolarHBondContact O-CB 3.37Å |
| 1018 | S | 90.6 | Very high | 86 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 166.6 | 169.6 | 80.9 | 0 | 0 | 0 | 0 | 110.5 | P924 F926 V1007 A1008 | P924-S1018 WeakPolarHBondContact O-CB 3.45Å; P924-S1018 PolarHBondContact O-OG 3.06Å; F926-S1018 VanDerWaalsContact CD2-OG 3.31Å; F926-S1018 WeakPolarHBondContact CD2-OG 3.42Å; V1007-S1018 CarbonylContact C-O 3.54Å; V1007-S1018 VanDerWaalsContact CA-O 3.24Å; V1007-S1018 WeakPolarHBondContact CA-O 3.37Å; V1007-S1018 WeakPolarHBondContact CG1-O 3.46Å; A1008-S1018 PolarHBondContact N-O 3.36Å; A1008-S1018 PolarHBondContact O-N 2.89Å |
| 1019 | S | 90.5 | Very high | 84.8 | Confident | 82 Ų | 82 | 48.9 Ų | 48.9 | 57% | 0.573 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 145 | -179.6 | 61.4 | 0 | 0 | 0 | 0 | 112.7 | V1006 | V1006-S1019 CarbonylContact O-C 3.57Å; V1006-S1019 VanDerWaalsContact O-CA 3.26Å; V1006-S1019 WeakPolarHBondContact O-CA 3.42Å |
| 1020 | A | 90.4 | Very high | 83.7 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F926 Y931 V1006 | F926-A1020 HydrophobicContact CB-CB 4.05Å; F926-A1020 HydrophobicContact CD1-CB 3.91Å; F926-A1020 HydrophobicContact CD2-CB 3.58Å; F926-A1020 HydrophobicContact CE1-CB 4.2Å; F926-A1020 HydrophobicContact CE2-CB 3.9Å; F926-A1020 HydrophobicContact CG-CB 3.57Å; F926-A1020 HydrophobicContact CZ-CB 4.18Å; Y931-A1020 HydrophobicContact CD2-CB 4.22Å; Y931-A1020 HydrophobicContact CE2-CB 4.08Å; V1006-A1020 PolarHBondContact N-O 2.92Å; V1006-A1020 PolarHBondContact O-N 3.3Å |
| 1021 | T | 89.7 | Confident | 82.6 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 28% | 0.282 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.3 | 178.2 | -48.5 | 0 | 0 | 0 | 0 | 111.1 | R929 I930 Y931 K1003 L1004 R1023 | R929-T1021 PolarHBondContact O-N 3.21Å; I930-T1021 CarbonylContact C-O 3.56Å; I930-T1021 VanDerWaalsContact CA-O 3.28Å; I930-T1021 WeakPolarHBondContact CA-O 2.95Å; Y931-T1021 PolarHBondContact N-O 3.1Å; K1003-T1021 HydrophobicContact CB-CG2 4.3Å; L1004-T1021 CarbonylContact O-C 3.58Å; L1004-T1021 WeakPolarHBondContact O-CA 3.42Å; T1021-R1023 HydrophobicContact CG2-CG 4.47Å |
| 1022 | V | 89.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 116.7 | 170.1 | -169.4 | 0 | 0 | 0 | 0 | 108.6 | Y931 T946 V948 V988 L1004 V1006 I1024 | Y931-V1022 CarbonylContact O-C 3.55Å; Y931-V1022 WeakPolarHBondContact O-CA 3.27Å; T946-V1022 HydrophobicContact CG2-CG1 3.64Å; V948-V1022 HydrophobicContact CG1-CG2 3.8Å; V988-V1022 HydrophobicContact CG2-CG2 4.36Å; L1004-V1022 HydrophobicContact CB-CB 4.25Å; L1004-V1022 PolarHBondContact N-O 2.83Å; L1004-V1022 PolarHBondContact O-N 2.89Å; V1006-V1022 HydrophobicContact CG2-CG2 3.71Å; V1022-I1024 HydrophobicContact CG1-CD1 4.39Å; V1022-I1024 HydrophobicContact CG1-CG1 3.89Å |
| 1023 | R | 88.5 | Confident | 81.7 | Confident | 109 Ų | 109 | 50.5 Ų | 50.5 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 111.4 | 175 | -63.9 | -177.4 | 83.1 | 168.5 | 3 | 108.9 | I930 Y931 K932 G933 F1002 T1021 | I930-R1023 HydrophobicContact CG2-CG 4.07Å; Y931-R1023 PolarHBondContact O-N 2.92Å; K932-R1023 WeakPolarHBondContact CA-O 3.43Å; G933-R1023 PolarHBondContact N-O 3.36Å; F1002-R1023 WeakPolarHBondContact O-CA 3.19Å; T1021-R1023 HydrophobicContact CG2-CG 4.47Å |
| 1024 | I | 86.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.9 | -176.5 | -53.2 | 168.4 | 0 | 0 | 0 | 108.1 | G933 V935 I945 F979 V988 I1001 F1002 L1004 V1022 | G933-I1024 WeakPolarHBondContact O-CA 3.35Å; V935-I1024 HydrophobicContact CB-CG2 4.22Å; V935-I1024 HydrophobicContact CG1-CG2 3.69Å; I945-I1024 HydrophobicContact CD1-CD1 4.02Å; I945-I1024 HydrophobicContact CD1-CG2 4.18Å; I945-I1024 HydrophobicContact CG2-CG1 4.22Å; I945-I1024 HydrophobicContact CG2-CG2 3.99Å; F979-I1024 HydrophobicContact CB-CD1 4.31Å; F979-I1024 HydrophobicContact CD1-CD1 3.83Å; F979-I1024 HydrophobicContact CD2-CD1 3.74Å; F979-I1024 HydrophobicContact CE1-CD1 4.03Å; F979-I1024 HydrophobicContact CE1-CG2 4.15Å; F979-I1024 HydrophobicContact CE2-CD1 3.96Å; F979-I1024 HydrophobicContact CG-CD1 3.66Å; F979-I1024 HydrophobicContact CZ-CB 4.49Å; F979-I1024 HydrophobicContact CZ-CD1 4.09Å; F979-I1024 HydrophobicContact CZ-CG2 3.96Å; V988-I1024 HydrophobicContact CG1-CD1 4.32Å; I1001-I1024 CarbonylContact C-O 3.6Å; I1001-I1024 WeakPolarHBondContact CA-O 3.39Å; F1002-I1024 HydrophobicContact CB-CB 4.22Å; F1002-I1024 PolarHBondContact N-O 2.79Å; F1002-I1024 PolarHBondContact O-N 2.86Å; L1004-I1024 HydrophobicContact CB-CD1 4.32Å; L1004-I1024 HydrophobicContact CD2-CD1 4.28Å; V1022-I1024 HydrophobicContact CG1-CD1 4.39Å; V1022-I1024 HydrophobicContact CG1-CG1 3.89Å |
| 1025 | L | 83.6 | Confident | 81.3 | Confident | 53 Ų | 53 | 45.4 Ų | 45.4 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.6 | 175.5 | 175.3 | 66.9 | 0 | 0 | 0 | 109.8 | G933 M934 V935 I1001 | G933-L1025 PolarHBondContact O-N 2.82Å; M934-L1025 WeakPolarHBondContact CA-O 3.45Å; M934-L1025 HydrophobicContact CE-CD2 3.85Å; M934-L1025 HydrophobicContact CG-CB 4.39Å; V935-L1025 PolarHBondContact N-O 2.88Å; I1001-L1025 HydrophobicContact CD1-CD1 4.31Å; I1001-L1025 HydrophobicContact CG1-CD1 3.63Å |
| 1026 | V | 81.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 121 | 168.4 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | V935 P937 L994 E996 T999 T1000 F1002 | V935-V1026 HydrophobicContact CG1-CG2 3.92Å; V935-V1026 WeakPolarHBondContact O-CA 3.32Å; P937-V1026 HydrophobicContact CB-CG1 3.61Å; P937-V1026 HydrophobicContact CG-CG1 4.37Å; L994-V1026 HydrophobicContact CD2-CG2 4.1Å; E996-V1026 HydrophobicContact CB-CG2 4.21Å; T999-V1026 VanDerWaalsContact CA-O 3.23Å; T999-V1026 WeakPolarHBondContact CA-O 3.42Å; T999-V1026 PolarHBondContact N-O 2.83Å; T1000-V1026 PolarHBondContact O-N 2.69Å; T1000-V1026 VanDerWaalsContact OG1-CB 3.3Å; T1000-V1026 WeakPolarHBondContact OG1-CB 3.23Å; T1000-V1026 WeakPolarHBondContact OG1-CG2 3.37Å; F1002-V1026 HydrophobicContact CD2-CG2 4.06Å; F1002-V1026 HydrophobicContact CE2-CG2 3.62Å |
| 1027 | L | 75.9 | Confident | 80.3 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 152.8 | -176.8 | -75.2 | 169.9 | 0 | 0 | 0 | 112.5 | M934 V935 P937 E1031 I1032 V1121 | M934-L1027 HydrophobicContact CB-CD1 4.08Å; M934-L1027 HydrophobicContact CB-CG 4.28Å; M934-L1027 HydrophobicContact CE-CD2 3.64Å; M934-L1027 HydrophobicContact CG-CD2 4.41Å; M934-L1027 HydrophobicContact CG-CG 4.46Å; M934-L1027 HydrophobicContact SD-CD1 4.42Å; M934-L1027 HydrophobicContact SD-CD2 4.08Å; V935-L1027 PolarHBondContact O-N 2.65Å; P937-L1027 VanDerWaalsContact CD-O 3.32Å; P937-L1027 WeakPolarHBondContact CD-O 3.41Å; L1027-E1031 WeakPolarHBondContact CD2-OE2 3.37Å; L1027-I1032 HydrophobicContact CB-CD1 4.39Å; L1027-I1032 HydrophobicContact CB-CG1 4.25Å; L1027-I1032 HydrophobicContact CD1-CG1 4.3Å; L1027-V1121 HydrophobicContact CD1-CB 4.09Å; L1027-V1121 HydrophobicContact CD1-CG1 3.59Å; L1027-V1121 HydrophobicContact CD1-CG2 3.34Å |
| 1028 | H | 75.1 | Confident | 79.2 | Confident | 91 Ų | 91 | 52.6 Ų | 52.6 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 135.8 | 167.4 | -160.7 | -82 | 0 | 0 | 0 | 109.8 | P998 G1030 E1031 | P998-H1028 HydrophobicContact CB-CB 4.22Å; P998-H1028 VanDerWaalsContact CB-CD2 3.43Å; P998-H1028 WeakPolarHBondContact CB-CD2 3.21Å; H1028-G1030 PolarHBondContact ND1-N 3.14Å; H1028-G1030 PolarHBondContact O-N 3.39Å; H1028-E1031 HydrophobicContact CB-CG 4.14Å; H1028-E1031 PolarHBondContact N-OE2 3.1Å; H1028-E1031 WeakPolarHBondContact O-CB 3.44Å; H1028-E1031 PolarHBondContact O-N 2.8Å |
| 1029 | P | 68.1 | Low | 78.2 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 42% | 0.416 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -26 | -179 | -27.8 | 32.3 | 0 | 0 | 0 | 114.6 | P937 P998 | P937-P1029 HydrophobicContact CG-CG 3.86Å; P998-P1029 HydrophobicContact CG-CG 4.49Å |
| 1030 | G | 68.4 | Low | 77.5 | Confident | 17 Ų | 17 | 52.6 Ų | 52.6 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -16.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | H1028 I1063 | H1028-G1030 PolarHBondContact ND1-N 3.14Å; H1028-G1030 PolarHBondContact O-N 3.39Å; G1030-I1063 WeakPolarHBondContact O-CB 3.24Å; G1030-I1063 PolarHBondContact O-N 3.03Å |
| 1031 | E | 67.9 | Low | 76.7 | Confident | 67 Ų | 67 | 60.6 Ų | 60.6 | 31% | 0.313 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -16.3 | 177.1 | -66.2 | 171.5 | 173.4 | 0 | 0 | 111.8 | L1027 H1028 P1033 Q1065 | L1027-E1031 WeakPolarHBondContact CD2-OE2 3.37Å; H1028-E1031 HydrophobicContact CB-CG 4.14Å; H1028-E1031 PolarHBondContact N-OE2 3.1Å; H1028-E1031 WeakPolarHBondContact O-CB 3.44Å; H1028-E1031 PolarHBondContact O-N 2.8Å; E1031-P1033 WeakPolarHBondContact O-CD 3.46Å; E1031-Q1065 PolarHBondContact O-OE1 3.39Å |
| 1032 | I | 70.7 | Confident | 76 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -82.8 | 118.5 | 179.5 | -55.1 | 173.9 | 0 | 0 | 0 | 108.7 | A936 L1027 R1034 V1121 | A936-I1032 HydrophobicContact CB-CD1 3.66Å; L1027-I1032 HydrophobicContact CB-CD1 4.39Å; L1027-I1032 HydrophobicContact CB-CG1 4.25Å; L1027-I1032 HydrophobicContact CD1-CG1 4.3Å; I1032-R1034 PolarHBondContact O-N 2.88Å; I1032-V1121 HydrophobicContact CG1-CG1 4.33Å; I1032-V1121 HydrophobicContact CG2-CG1 4.45Å |
| 1033 | P | 75.3 | Confident | 75.3 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | trans | -61 | 126.3 | 178.3 | -20.1 | 31.6 | 0 | 0 | 0 | 111.7 | E1031 A1060 A1062 I1067 A1109 | E1031-P1033 WeakPolarHBondContact O-CD 3.46Å; P1033-A1060 HydrophobicContact CB-CB 4.32Å; P1033-A1062 HydrophobicContact CB-CB 4.24Å; P1033-A1062 HydrophobicContact CG-CB 4.11Å; P1033-I1067 HydrophobicContact CB-CD1 4.33Å; P1033-I1067 HydrophobicContact CB-CG1 4.34Å; P1033-I1067 HydrophobicContact CB-CG2 4.39Å; P1033-I1067 HydrophobicContact CG-CG1 4.44Å; P1033-A1109 HydrophobicContact CB-CB 4.11Å | ||
| 1034 | R | 73.5 | Confident | 74.8 | Confident | 139 Ų | 139 | 62.6 Ų | 62.6 | 53% | 0.525 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129 | 172.2 | -75.9 | -174.4 | 176.8 | -130 | -2.5 | 110.1 | I1032 T1036 A1060 A1061 | I1032-R1034 PolarHBondContact O-N 2.88Å; R1034-T1036 PolarHBondContact O-N 2.88Å; R1034-A1060 CarbonylContact O-C 3.51Å; R1034-A1060 WeakPolarHBondContact O-CA 3.42Å; R1034-A1060 WeakPolarHBondContact O-CB 3.23Å; R1034-A1061 PolarHBondContact N-O 2.86Å; R1034-A1061 PolarHBondContact O-N 3.45Å |
| 1035 | F | 77.9 | Confident | 74.3 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 10% | 0.096 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 137.1 | 170 | -71.6 | -74.3 | 0 | 0 | 0 | 110.5 | Q1037 Y1040 I1058 A1060 Y1069 V1107 A1109 K1124 L1126 | F1035-Q1037 PolarHBondContact O-N 3.33Å; F1035-Y1040 HydrophobicContact CB-CE2 4.47Å; F1035-Y1040 HydrophobicContact CD1-CE2 4.28Å; F1035-I1058 HydrophobicContact CE1-CB 4.41Å; F1035-I1058 HydrophobicContact CE1-CD1 3.93Å; F1035-I1058 HydrophobicContact CE1-CG1 4.45Å; F1035-I1058 HydrophobicContact CZ-CD1 4.5Å; F1035-A1060 HydrophobicContact CD1-CB 3.96Å; F1035-A1060 HydrophobicContact CE1-CB 4.26Å; F1035-A1060 HydrophobicContact CG-CB 4.35Å; F1035-Y1069 HydrophobicContact CE1-CD1 4.15Å; F1035-Y1069 HydrophobicContact CE1-CE1 4.1Å; F1035-V1107 HydrophobicContact CE1-CG2 4.32Å; F1035-V1107 HydrophobicContact CZ-CG2 4.02Å; F1035-A1109 HydrophobicContact CE1-CB 3.85Å; F1035-A1109 HydrophobicContact CE2-CB 4Å; F1035-A1109 HydrophobicContact CZ-CB 3.51Å; F1035-K1124 WeakPolarHBondContact CD2-O 3.26Å; F1035-K1124 VanDerWaalsContact CE2-O 3.23Å; F1035-K1124 WeakPolarHBondContact CE2-O 3.29Å; F1035-L1126 HydrophobicContact CB-CD1 4.21Å; F1035-L1126 HydrophobicContact CD2-CB 3.92Å; F1035-L1126 HydrophobicContact CD2-CD1 4.35Å; F1035-L1126 HydrophobicContact CE2-CB 4.17Å; F1035-L1126 HydrophobicContact CG-CB 4.34Å |
| 1036 | T | 77.5 | Confident | 74 | Confident | 80 Ų | 80 | 63.3 Ų | 63.3 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -74 | -16.9 | -176.9 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | R1034 Y1040 S1059 A1061 | R1034-T1036 PolarHBondContact O-N 2.88Å; T1036-Y1040 PolarHBondContact OG1-OH 2.82Å; T1036-Y1040 VanDerWaalsContact OG1-OH 3.09Å; T1036-S1059 PolarHBondContact N-O 3.04Å; T1036-S1059 PolarHBondContact OG1-O 2.69Å; T1036-S1059 VanDerWaalsContact OG1-O 3.1Å; T1036-S1059 PolarHBondContact OG1-OG 3.39Å; T1036-A1061 HydrophobicContact CG2-CB 4.28Å |
| 1037 | Q | 74.5 | Confident | 73.9 | Confident | 103 Ų | 103 | 65.1 Ų | 65.1 | 48% | 0.481 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -125.3 | 147.6 | 177.1 | -55.2 | -174.3 | -102.2 | 0 | 0 | 110.7 | F1035 Y1040 | F1035-Q1037 PolarHBondContact O-N 3.33Å; Q1037-Y1040 HydrophobicContact CB-CD2 4.38Å; Q1037-Y1040 HydrophobicContact CB-CE1 4.24Å; Q1037-Y1040 HydrophobicContact CB-CE2 3.85Å; Q1037-Y1040 HydrophobicContact CG-CE1 4.12Å |
| 1038 | E | 68.1 | Low | 74 | Confident | 166 Ų | 166 | 71.4 Ų | 71.4 | 78% | 0.776 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -77.4 | -27.7 | 176.6 | -65.9 | -164.5 | 149.8 | 0 | 0 | 113.2 | L1126 | E1038-L1126 VanDerWaalsContact O-CD1 3.3Å; E1038-L1126 WeakPolarHBondContact O-CD1 3.32Å; E1038-L1126 WeakPolarHBondContact O-CD2 3.26Å; E1038-L1126 WeakPolarHBondContact O-CG 3.16Å |
| 1039 | E | 68.1 | Low | 74.1 | Confident | 99 Ų | 99 | 67.8 Ų | 67.8 | 46% | 0.463 | 35% | 0.349 | S | S | . | . | trans | -143.5 | 135.5 | 175.2 | -68.1 | -174 | 171.3 | 0 | 0 | 109.7 | R1041 I1129 | E1039-R1041 IonicContact OE2-CZ 2.73Å; E1039-R1041 IonicContact OE2-NE 3.58Å; E1039-R1041 PolarHBondContact OE2-NE 3.24Å; E1039-R1041 IonicContact OE2-NH2 2.92Å; E1039-R1041 PolarHBondContact OE2-NH2 3.4Å; E1039-I1129 HydrophobicContact CB-CD1 4.05Å; E1039-I1129 HydrophobicContact CG-CD1 3.78Å; E1039-I1129 WeakPolarHBondContact OE1-CD1 3.46Å; E1039-I1129 WeakPolarHBondContact OE2-CD1 3.31Å | ||
| 1040 | Y | 76 | Confident | 74.8 | Confident | 15 Ų | 15 | 68 Ų | 68 | 6% | 0.059 | 36% | 0.357 | C | S | . | . | trans | -104.8 | 124 | 167.5 | -69.7 | -94.7 | 0 | 0 | 0 | 108.8 | F1035 T1036 Q1037 V1057 I1058 S1059 L1126 V1128 I1129 | F1035-Y1040 HydrophobicContact CB-CE2 4.47Å; F1035-Y1040 HydrophobicContact CD1-CE2 4.28Å; T1036-Y1040 PolarHBondContact OG1-OH 2.82Å; T1036-Y1040 VanDerWaalsContact OG1-OH 3.09Å; Q1037-Y1040 HydrophobicContact CB-CD2 4.38Å; Q1037-Y1040 HydrophobicContact CB-CE1 4.24Å; Q1037-Y1040 HydrophobicContact CB-CE2 3.85Å; Q1037-Y1040 HydrophobicContact CG-CE1 4.12Å; Y1040-V1057 WeakPolarHBondContact CD1-O 3.35Å; Y1040-V1057 WeakPolarHBondContact CE1-O 3.43Å; Y1040-I1058 HydrophobicContact CD1-CG2 3.96Å; Y1040-I1058 HydrophobicContact CD2-CB 4.46Å; Y1040-I1058 HydrophobicContact CD2-CG2 3.85Å; Y1040-I1058 HydrophobicContact CE1-CB 4.29Å; Y1040-I1058 HydrophobicContact CE1-CG2 4.22Å; Y1040-I1058 HydrophobicContact CE2-CB 4.24Å; Y1040-I1058 HydrophobicContact CE2-CG2 4.14Å; Y1040-I1058 HydrophobicContact CG-CG2 3.79Å; Y1040-S1059 PolarHBondContact OH-N 3.26Å; Y1040-S1059 VanDerWaalsContact OH-N 3.11Å; Y1040-S1059 PolarHBondContact OH-O 2.86Å; Y1040-L1126 HydrophobicContact CD2-CD2 3.41Å; Y1040-L1126 VanDerWaalsContact CD2-CD2 3.41Å; Y1040-L1126 HydrophobicContact CE2-CD2 3.8Å; Y1040-V1128 WeakPolarHBondContact O-CG1 3.28Å; Y1040-I1129 PolarHBondContact O-N 3.12Å | ||
| 1041 | R | 73.3 | Confident | 75.6 | Confident | 171 Ų | 171 | 75.4 Ų | 75.4 | 65% | 0.645 | 38% | 0.379 | S | S | * | . | trans | -121.4 | 90.8 | 175.5 | -74 | -179.2 | -166.4 | -117.5 | 3.2 | 109.1 | E1039 I1129 | E1039-R1041 IonicContact OE2-CZ 2.73Å; E1039-R1041 IonicContact OE2-NE 3.58Å; E1039-R1041 PolarHBondContact OE2-NE 3.24Å; E1039-R1041 IonicContact OE2-NH2 2.92Å; E1039-R1041 PolarHBondContact OE2-NH2 3.4Å; R1041-I1129 HydrophobicContact CG-CB 3.75Å; R1041-I1129 HydrophobicContact CG-CD1 4.38Å; R1041-I1129 HydrophobicContact CG-CG2 3.7Å; R1041-I1129 VanDerWaalsContact NH2-CD1 3.25Å | ||
| 1042 | P | 75.1 | Confident | 76.4 | Confident | 23 Ų | 23 | 74.5 Ų | 74.5 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 155 | 178 | -6.6 | 21.8 | 0 | 0 | 0 | 111 | V1055 V1128 | P1042-V1055 HydrophobicContact CB-CG1 4.03Å; P1042-V1055 WeakPolarHBondContact CB-O 3.5Å; P1042-V1055 HydrophobicContact CG-CG1 4.27Å; P1042-V1128 HydrophobicContact CG-CG1 3.88Å |
| 1043 | P | 76.3 | Confident | 77 | Confident | 90 Ų | 90 | 76 Ų | 76 | 58% | 0.584 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 157.5 | 174.3 | 24.8 | -31.1 | 0 | 0 | 0 | 112 | V1045 | P1043-V1045 PolarHBondContact O-N 2.82Š|
| 1044 | P | 76.5 | Confident | 77.5 | Confident | 84 Ų | 84 | 80 Ų | 80 | 55% | 0.545 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -49.7 | 130.7 | 168.8 | -31.6 | 38.9 | 0 | 0 | 0 | 112.3 | S1132 | P1044-S1132 WeakPolarHBondContact CA-O 3.48Å; P1044-S1132 WeakPolarHBondContact CB-O 3.33Å |
| 1045 | V | 76.3 | Confident | 77.9 | Confident | 14 Ų | 14 | 73.7 Ų | 73.7 | 9% | 0.085 | 40% | 0.399 | C | S | . | . | trans | -107.9 | 152.7 | 173.6 | 165.7 | 0 | 0 | 0 | 0 | 108 | P1043 A1049 V1055 V1091 L1095 W1133 | P1043-V1045 PolarHBondContact O-N 2.82Å; V1045-A1049 HydrophobicContact CG1-CB 3.69Å; V1045-V1055 HydrophobicContact CG2-CB 4.38Å; V1045-V1055 HydrophobicContact CG2-CG1 4.16Å; V1045-V1055 HydrophobicContact CG2-CG2 4.25Å; V1045-V1091 HydrophobicContact CG1-CG2 4.01Å; V1045-L1095 HydrophobicContact CG1-CD1 4.38Å; V1045-W1133 HydrophobicContact CB-CE3 3.44Å; V1045-W1133 VanDerWaalsContact CB-CE3 3.44Å; V1045-W1133 HydrophobicContact CB-CH2 4.33Å; V1045-W1133 HydrophobicContact CB-CZ3 3.23Å; V1045-W1133 HydrophobicContact CG1-CE3 3.74Å; V1045-W1133 HydrophobicContact CG1-CZ3 3.45Å; V1045-W1133 VanDerWaalsContact CG1-CZ3 3.45Å; V1045-W1133 HydrophobicContact CG2-CZ3 4.17Å; V1045-W1133 VanDerWaalsContact O-CA 3.25Å; V1045-W1133 WeakPolarHBondContact O-CA 3.42Å; V1045-W1133 WeakPolarHBondContact O-CB 3.34Å | ||
| 1046 | S | 78.7 | Confident | 78.1 | Confident | 54 Ų | 54 | 73.4 Ų | 73.4 | 38% | 0.378 | 40% | 0.402 | S | S | . | . | trans | -77.5 | 146.8 | -178.6 | -172.7 | 0 | 0 | 0 | 0 | 110.9 | L1048 A1049 | S1046-L1048 PolarHBondContact O-N 2.85Å; S1046-L1048 PolarHBondContact OG-N 2.85Å; S1046-A1049 WeakPolarHBondContact O-CB 3.35Å; S1046-A1049 PolarHBondContact O-N 2.83Å; S1046-A1049 VanDerWaalsContact O-N 3.09Å | ||
| 1047 | E | 78.2 | Confident | 78.5 | Confident | 38 Ų | 38 | 73.3 Ų | 73.3 | 18% | 0.178 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -32 | 167.8 | 73.1 | -166.8 | 150.3 | 0 | 0 | 111.3 | A1049 Y1097 | E1047-A1049 PolarHBondContact O-N 2.72Å; E1047-Y1097 VanDerWaalsContact OE2-CB 3.24Å; E1047-Y1097 WeakPolarHBondContact OE2-CB 3.19Å |
| 1048 | L | 78.1 | Confident | 78.9 | Confident | 139 Ų | 139 | 68.5 Ų | 68.5 | 73% | 0.728 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 10.2 | 175.3 | -59.8 | 173.7 | 0 | 0 | 0 | 112.7 | S1046 A1050 | S1046-L1048 PolarHBondContact O-N 2.85Å; S1046-L1048 PolarHBondContact OG-N 2.85Å; L1048-A1050 PolarHBondContact O-N 2.97Å |
| 1049 | A | 77 | Confident | 79.6 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 12% | 0.116 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 125.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V1045 S1046 E1047 T1053 V1091 | V1045-A1049 HydrophobicContact CG1-CB 3.69Å; S1046-A1049 WeakPolarHBondContact O-CB 3.35Å; S1046-A1049 PolarHBondContact O-N 2.83Å; S1046-A1049 VanDerWaalsContact O-N 3.09Å; E1047-A1049 PolarHBondContact O-N 2.72Å; A1049-T1053 HydrophobicContact CB-CG2 4.18Å; A1049-V1091 HydrophobicContact CB-CG2 4.37Å |
| 1050 | A | 83.7 | Confident | 80.2 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 153.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | L1048 G1052 T1053 | L1048-A1050 PolarHBondContact O-N 2.97Å; A1050-G1052 PolarHBondContact O-N 3.17Å; A1050-T1053 WeakPolarHBondContact O-CB 3.44Å; A1050-T1053 PolarHBondContact O-N 3.04Å; A1050-T1053 VanDerWaalsContact O-N 3.15Å; A1050-T1053 PolarHBondContact O-OG1 3.24Å |
| 1051 | R | 84.6 | Confident | 80.2 | Confident | 172 Ų | 172 | 60.9 Ų | 60.9 | 65% | 0.649 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 133.7 | 169.5 | -65.9 | -174.7 | -177 | -155.2 | 3.3 | 109.5 | V1091 N1092 | R1051-V1091 CarbonylContact C-O 3.53Å; R1051-V1091 WeakPolarHBondContact CA-O 3.41Å; R1051-N1092 WeakPolarHBondContact CD-O 3.35Å; R1051-N1092 WeakPolarHBondContact CG-O 3.5Å; R1051-N1092 PolarHBondContact NE-O 2.74Å |
| 1052 | G | 84.2 | Confident | 80.1 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 49% | 0.485 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -6.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1050 V1054 V1091 | A1050-G1052 PolarHBondContact O-N 3.17Å; G1052-V1054 PolarHBondContact O-N 3.48Å; G1052-V1091 PolarHBondContact N-O 3.41Å |
| 1053 | T | 84.3 | Confident | 80 | Confident | 52 Ų | 52 | 57.9 Ų | 57.9 | 32% | 0.319 | 36% | 0.359 | S | S | . | . | trans | -63.3 | 124.7 | 178.4 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | A1049 A1050 V1055 Y1090 V1091 | A1049-T1053 HydrophobicContact CB-CG2 4.18Å; A1050-T1053 WeakPolarHBondContact O-CB 3.44Å; A1050-T1053 PolarHBondContact O-N 3.04Å; A1050-T1053 VanDerWaalsContact O-N 3.15Å; A1050-T1053 PolarHBondContact O-OG1 3.24Å; T1053-V1055 PolarHBondContact O-N 2.83Å; T1053-Y1090 CarbonylContact O-C 3.58Å; T1053-Y1090 WeakPolarHBondContact O-CA 3.47Å; T1053-Y1090 WeakPolarHBondContact O-CB 3.06Å; T1053-V1091 PolarHBondContact O-N 2.97Å | ||
| 1054 | V | 85.2 | Confident | 79.6 | Confident | 89 Ų | 89 | 61.4 Ų | 61.4 | 54% | 0.539 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 121.5 | 179.9 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | G1052 V1088 | G1052-V1054 PolarHBondContact O-N 3.48Å; V1054-V1088 HydrophobicContact CB-CG1 4.43Å; V1054-V1088 HydrophobicContact CG1-CG1 3.75Å; V1054-V1088 HydrophobicContact CG2-CG1 3.95Å |
| 1055 | V | 82 | Confident | 79.3 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.03 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -48.2 | 179.3 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | P1042 V1045 T1053 F1080 I1089 V1091 C1131 | P1042-V1055 HydrophobicContact CB-CG1 4.03Å; P1042-V1055 WeakPolarHBondContact CB-O 3.5Å; P1042-V1055 HydrophobicContact CG-CG1 4.27Å; V1045-V1055 HydrophobicContact CG2-CB 4.38Å; V1045-V1055 HydrophobicContact CG2-CG1 4.16Å; V1045-V1055 HydrophobicContact CG2-CG2 4.25Å; T1053-V1055 PolarHBondContact O-N 2.83Å; V1055-F1080 HydrophobicContact CG2-CD1 3.95Å; V1055-F1080 HydrophobicContact CG2-CE1 4.01Å; V1055-I1089 HydrophobicContact CB-CG2 4.2Å; V1055-I1089 PolarHBondContact N-O 3.28Å; V1055-V1091 HydrophobicContact CG2-CG2 3.78Å; V1055-C1131 WeakPolarHBondContact CG1-SG 3.18Å |
| 1056 | G | 82.6 | Confident | 79.5 | Confident | 16 Ų | 16 | 62 Ų | 62 | 17% | 0.165 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.9 | 174.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1089 | G1056-I1089 PolarHBondContact N-O 3.45Å; G1056-I1089 PolarHBondContact O-N 2.85Å |
| 1057 | V | 84.8 | Confident | 79.5 | Confident | 79 Ų | 79 | 60.7 Ų | 60.7 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.3 | 179 | -172 | 0 | 0 | 0 | 0 | 109.1 | Y1040 G1087 V1088 | Y1040-V1057 WeakPolarHBondContact CD1-O 3.35Å; Y1040-V1057 WeakPolarHBondContact CE1-O 3.43Å; V1057-G1087 WeakPolarHBondContact CA-O 3.43Å; V1057-V1088 HydrophobicContact CG1-CG2 4.17Å; V1057-V1088 HydrophobicContact CG2-CB 4.43Å; V1057-V1088 HydrophobicContact CG2-CG1 4.46Å; V1057-V1088 HydrophobicContact CG2-CG2 3.87Å |
| 1058 | I | 83.2 | Confident | 79.6 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | trans | -102.4 | 146.8 | 172.3 | 62.8 | 175.4 | 0 | 0 | 0 | 110.2 | F1035 Y1040 Y1069 I1082 G1087 I1089 V1107 V1128 | F1035-I1058 HydrophobicContact CE1-CB 4.41Å; F1035-I1058 HydrophobicContact CE1-CD1 3.93Å; F1035-I1058 HydrophobicContact CE1-CG1 4.45Å; F1035-I1058 HydrophobicContact CZ-CD1 4.5Å; Y1040-I1058 HydrophobicContact CD1-CG2 3.96Å; Y1040-I1058 HydrophobicContact CD2-CB 4.46Å; Y1040-I1058 HydrophobicContact CD2-CG2 3.85Å; Y1040-I1058 HydrophobicContact CE1-CB 4.29Å; Y1040-I1058 HydrophobicContact CE1-CG2 4.22Å; Y1040-I1058 HydrophobicContact CE2-CB 4.24Å; Y1040-I1058 HydrophobicContact CE2-CG2 4.14Å; Y1040-I1058 HydrophobicContact CG-CG2 3.79Å; I1058-Y1069 HydrophobicContact CD1-CD1 3.86Å; I1058-Y1069 HydrophobicContact CD1-CG 4.43Å; I1058-Y1069 HydrophobicContact CG1-CD1 3.92Å; I1058-Y1069 HydrophobicContact CG1-CE1 4.34Å; I1058-Y1069 HydrophobicContact CG1-CG 4.43Å; I1058-I1082 HydrophobicContact CD1-CD1 3.42Å; I1058-I1082 VanDerWaalsContact CD1-CD1 3.42Å; I1058-I1082 HydrophobicContact CG1-CD1 3.9Å; I1058-G1087 WeakPolarHBondContact CG1-O 3.46Å; I1058-G1087 PolarHBondContact N-O 2.8Å; I1058-I1089 HydrophobicContact CG2-CD1 4.13Å; I1058-V1107 HydrophobicContact CD1-CB 3.65Å; I1058-V1107 HydrophobicContact CD1-CG1 3.93Å; I1058-V1107 HydrophobicContact CD1-CG2 3.6Å; I1058-V1128 HydrophobicContact CG2-CG2 4.24Å | ||
| 1059 | S | 83.4 | Confident | 80 | Confident | 47 Ų | 47 | 54.5 Ų | 54.5 | 33% | 0.329 | 33% | 0.332 | S | S | . | . | trans | -140.3 | 134 | 176.7 | 67.8 | 0 | 0 | 0 | 0 | 111.6 | T1036 Y1040 Y1069 | T1036-S1059 PolarHBondContact N-O 3.04Å; T1036-S1059 PolarHBondContact OG1-O 2.69Å; T1036-S1059 VanDerWaalsContact OG1-O 3.1Å; T1036-S1059 PolarHBondContact OG1-OG 3.39Å; Y1040-S1059 PolarHBondContact OH-N 3.26Å; Y1040-S1059 VanDerWaalsContact OH-N 3.11Å; Y1040-S1059 PolarHBondContact OH-O 2.86Å; S1059-Y1069 WeakPolarHBondContact CA-OH 3.22Å | ||
| 1060 | A | 79.9 | Confident | 80.3 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 158.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P1033 R1034 F1035 I1067 Y1069 A1109 | P1033-A1060 HydrophobicContact CB-CB 4.32Å; R1034-A1060 CarbonylContact O-C 3.51Å; R1034-A1060 WeakPolarHBondContact O-CA 3.42Å; R1034-A1060 WeakPolarHBondContact O-CB 3.23Å; F1035-A1060 HydrophobicContact CD1-CB 3.96Å; F1035-A1060 HydrophobicContact CE1-CB 4.26Å; F1035-A1060 HydrophobicContact CG-CB 4.35Å; A1060-I1067 HydrophobicContact CB-CD1 4.1Å; A1060-I1067 HydrophobicContact CB-CG2 4.29Å; A1060-I1067 WeakPolarHBondContact O-CD1 3.35Å; A1060-Y1069 HydrophobicContact CB-CE1 3.9Å; A1060-Y1069 PolarHBondContact N-OH 2.75Å; A1060-Y1069 PolarHBondContact O-OH 2.82Å; A1060-A1109 HydrophobicContact CB-CB 3.59Å |
| 1061 | A | 76 | Confident | 80.4 | Confident | 60 Ų | 60 | 54.2 Ų | 54.2 | 50% | 0.496 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | R1034 T1036 | R1034-A1061 PolarHBondContact N-O 2.86Å; R1034-A1061 PolarHBondContact O-N 3.45Å; T1036-A1061 HydrophobicContact CG2-CB 4.28Å |
| 1062 | A | 72.4 | Confident | 80.1 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 17% | 0.165 | 31% | 0.312 | C | S | . | . | trans | -138.8 | 143.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | P1033 N1064 Q1065 I1067 | P1033-A1062 HydrophobicContact CB-CB 4.24Å; P1033-A1062 HydrophobicContact CG-CB 4.11Å; A1062-N1064 PolarHBondContact O-N 2.9Å; A1062-Q1065 HydrophobicContact CB-CB 4.15Å; A1062-I1067 HydrophobicContact CB-CD1 4.1Å; A1062-I1067 HydrophobicContact CB-CG1 4.21Å | ||
| 1063 | I | 72.4 | Confident | 79.8 | Confident | 112 Ų | 112 | 49.7 Ų | 49.7 | 57% | 0.574 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 123.7 | -179 | -62.2 | 176.7 | 0 | 0 | 0 | 108.8 | G1030 Q1065 | G1030-I1063 WeakPolarHBondContact O-CB 3.24Å; G1030-I1063 PolarHBondContact O-N 3.03Å; I1063-Q1065 PolarHBondContact O-N 3Å; I1063-Q1065 VanDerWaalsContact O-N 3.14Å |
| 1064 | N | 68 | Low | 79.5 | Confident | 164 Ų | 164 | 47.7 Ų | 47.7 | 88% | 0.877 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 24 | 174.3 | -61 | -26.6 | 0 | 0 | 0 | 115.8 | A1062 | A1062-N1064 PolarHBondContact O-N 2.9Š|
| 1065 | Q | 71.3 | Confident | 79.6 | Confident | 40 Ų | 40 | 44.5 Ų | 44.5 | 19% | 0.187 | 28% | 0.278 | C | S | . | . | trans | -125.3 | 141.5 | 178.3 | -67.1 | -168.5 | -16.1 | 0 | 0 | 111.4 | E1031 A1062 I1063 S1111 | E1031-Q1065 PolarHBondContact O-OE1 3.39Å; A1062-Q1065 HydrophobicContact CB-CB 4.15Å; I1063-Q1065 PolarHBondContact O-N 3Å; I1063-Q1065 VanDerWaalsContact O-N 3.14Å; Q1065-S1111 PolarHBondContact OE1-OG 3.44Å | ||
| 1066 | S | 79.6 | Confident | 79.3 | Confident | 71 Ų | 71 | 48.3 Ų | 48.3 | 50% | 0.497 | 30% | 0.296 | S | S | . | . | trans | -77.3 | 133.2 | 167.8 | 44.7 | 0 | 0 | 0 | 0 | 109.3 | S1111 L1112 | S1066-S1111 CarbonylContact O-C 3.45Å; S1066-S1111 WeakPolarHBondContact O-CA 3.23Å; S1066-L1112 PolarHBondContact O-N 2.88Å; S1066-L1112 WeakPolarHBondContact OG-CB 3.35Å; S1066-L1112 WeakPolarHBondContact OG-CD2 3.35Å | ||
| 1067 | I | 78.6 | Confident | 79 | Confident | 26 Ų | 26 | 54.5 Ų | 54.5 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 136.7 | -174.3 | -59.5 | 167.9 | 0 | 0 | 0 | 109.1 | P1033 A1060 A1062 Y1069 A1109 D1110 | P1033-I1067 HydrophobicContact CB-CD1 4.33Å; P1033-I1067 HydrophobicContact CB-CG1 4.34Å; P1033-I1067 HydrophobicContact CB-CG2 4.39Å; P1033-I1067 HydrophobicContact CG-CG1 4.44Å; A1060-I1067 HydrophobicContact CB-CD1 4.1Å; A1060-I1067 HydrophobicContact CB-CG2 4.29Å; A1060-I1067 WeakPolarHBondContact O-CD1 3.35Å; A1062-I1067 HydrophobicContact CB-CD1 4.1Å; A1062-I1067 HydrophobicContact CB-CG1 4.21Å; I1067-Y1069 HydrophobicContact CG2-CD1 4.44Å; I1067-Y1069 HydrophobicContact CG2-CE1 3.95Å; I1067-Y1069 HydrophobicContact CG2-CE2 4.12Å; I1067-A1109 HydrophobicContact CG2-CB 3.81Å; I1067-D1110 CarbonylContact C-O 3.57Å; I1067-D1110 WeakPolarHBondContact CA-O 3.4Å |
| 1068 | V | 81.2 | Confident | 79 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 16% | 0.164 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 124.9 | 175.3 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | N1084 A1109 D1110 L1112 V1115 | V1068-N1084 CarbonylContact C-O 3.5Å; V1068-N1084 VanDerWaalsContact CA-O 3.31Å; V1068-N1084 WeakPolarHBondContact CA-O 3.43Å; V1068-N1084 HydrophobicContact CG1-CB 4Å; V1068-A1109 WeakPolarHBondContact O-CA 3.37Å; V1068-D1110 PolarHBondContact N-O 3.39Å; V1068-D1110 PolarHBondContact O-N 3.33Å; V1068-L1112 HydrophobicContact CG2-CB 4.22Å; V1068-L1112 HydrophobicContact CG2-CD1 3.57Å; V1068-V1115 HydrophobicContact CB-CG2 4.11Å; V1068-V1115 HydrophobicContact CG2-CG2 4.27Å |
| 1069 | Y | 85.1 | Confident | 79 | Confident | 19 Ų | 19 | 57.1 Ų | 57.1 | 8% | 0.075 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 140.1 | 177.4 | -57.3 | -83.3 | 0 | 0 | 0 | 111.1 | F1035 I1058 S1059 A1060 I1067 N1084 Q1108 A1109 | F1035-Y1069 HydrophobicContact CE1-CD1 4.15Å; F1035-Y1069 HydrophobicContact CE1-CE1 4.1Å; I1058-Y1069 HydrophobicContact CD1-CD1 3.86Å; I1058-Y1069 HydrophobicContact CD1-CG 4.43Å; I1058-Y1069 HydrophobicContact CG1-CD1 3.92Å; I1058-Y1069 HydrophobicContact CG1-CE1 4.34Å; I1058-Y1069 HydrophobicContact CG1-CG 4.43Å; S1059-Y1069 WeakPolarHBondContact CA-OH 3.22Å; A1060-Y1069 HydrophobicContact CB-CE1 3.9Å; A1060-Y1069 PolarHBondContact N-OH 2.75Å; A1060-Y1069 PolarHBondContact O-OH 2.82Å; I1067-Y1069 HydrophobicContact CG2-CD1 4.44Å; I1067-Y1069 HydrophobicContact CG2-CE1 3.95Å; I1067-Y1069 HydrophobicContact CG2-CE2 4.12Å; Y1069-N1084 PolarHBondContact N-O 3.13Å; Y1069-N1084 WeakPolarHBondContact O-CA 3.48Å; Y1069-N1084 WeakPolarHBondContact O-CB 3.34Å; Y1069-Q1108 WeakPolarHBondContact CA-O 3.08Å; Y1069-A1109 HydrophobicContact CD1-CB 4Å; Y1069-A1109 HydrophobicContact CE1-CB 3.99Å |
| 1070 | S | 84.2 | Confident | 79.2 | Confident | 42 Ų | 42 | 55 Ų | 55 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 153.2 | 173.6 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | V1107 Q1108 | S1070-V1107 WeakPolarHBondContact O-CA 3.46Å; S1070-Q1108 PolarHBondContact N-O 2.88Å; S1070-Q1108 PolarHBondContact O-N 3.04Å |
| 1071 | I | 84.3 | Confident | 79.5 | Confident | 36 Ų | 36 | 54.9 Ų | 54.9 | 19% | 0.185 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.7 | 168.3 | -59.7 | 161.5 | 0 | 0 | 0 | 107.2 | N1075 F1080 I1082 L1105 V1107 | I1071-N1075 HydrophobicContact CG2-CB 3.7Å; I1071-F1080 HydrophobicContact CD1-CB 4.37Å; I1071-I1082 HydrophobicContact CD1-CB 3.88Å; I1071-I1082 HydrophobicContact CD1-CG2 3.98Å; I1071-I1082 HydrophobicContact CG1-CB 3.97Å; I1071-I1082 HydrophobicContact CG1-CG2 3.75Å; I1071-L1105 HydrophobicContact CG2-CD2 4.27Å; I1071-V1107 HydrophobicContact CG1-CG1 4.01Å |
| 1072 | V | 78.6 | Confident | 80.2 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -21.9 | -175.8 | -81.1 | 0 | 0 | 0 | 0 | 113.3 | R1106 Q1108 | V1072-R1106 HydrophobicContact CG2-CB 4.3Å; V1072-R1106 HydrophobicContact CG2-CG 4.16Å; V1072-R1106 WeakPolarHBondContact CG2-O 3.3Å; V1072-R1106 PolarHBondContact N-O 2.83Å; V1072-Q1108 HydrophobicContact CG1-CB 4.09Å; V1072-Q1108 HydrophobicContact CG2-CB 4.11Å |
| 1073 | A | 79.1 | Confident | 80.9 | Confident | 49 Ų | 49 | 55.4 Ų | 55.4 | 41% | 0.405 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 166.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | N1075 R1106 | A1073-N1075 VanDerWaalsContact C-N 3.32Å; A1073-R1106 HydrophobicContact CB-CB 4.02Å; A1073-R1106 PolarHBondContact N-O 3.02Å; A1073-R1106 PolarHBondContact O-N 3.36Å |
| 1074 | G | 78.5 | Confident | 81.5 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 81.8 | 7.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | E1076 V1104 L1105 | G1074-E1076 WeakPolarHBondContact CA-OE1 3.36Å; G1074-V1104 WeakPolarHBondContact CA-O 3.34Å; G1074-L1105 VanDerWaalsContact O-CD2 3.31Å; G1074-L1105 WeakPolarHBondContact O-CD2 3.26Å |
| 1075 | N | 85.5 | Confident | 82.3 | Confident | 23 Ų | 23 | 51.8 Ų | 51.8 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | trans | -109.2 | 50 | 178.8 | -167.6 | 37.2 | 0 | 0 | 0 | 111 | I1071 A1073 E1077 D1078 K1079 F1080 L1105 | I1071-N1075 HydrophobicContact CG2-CB 3.7Å; A1073-N1075 VanDerWaalsContact C-N 3.32Å; N1075-E1077 PolarHBondContact O-N 3.41Å; N1075-D1078 PolarHBondContact ND2-OD1 2.76Å; N1075-D1078 PolarHBondContact O-N 2.77Å; N1075-D1078 VanDerWaalsContact O-N 3.09Å; N1075-K1079 PolarHBondContact OD1-N 2.88Å; N1075-F1080 PolarHBondContact ND2-O 2.98Å; N1075-F1080 WeakPolarHBondContact OD1-CA 3.41Å; N1075-F1080 WeakPolarHBondContact OD1-CB 3.16Å; N1075-F1080 WeakPolarHBondContact OD1-CD2 3.43Å; N1075-F1080 PolarHBondContact OD1-N 2.73Å; N1075-F1080 PolarHBondContact OD1-O 3.14Å; N1075-L1105 HydrophobicContact CB-CD2 3.85Å | ||
| 1076 | E | 75.8 | Confident | 82.9 | Confident | 85 Ų | 85 | 53.3 Ų | 53.3 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -62 | 138.5 | -179.4 | -58.8 | 77.3 | -161.8 | 0 | 0 | 110.4 | G1074 D1078 R1100 | G1074-E1076 WeakPolarHBondContact CA-OE1 3.36Å; E1076-D1078 PolarHBondContact O-N 3.35Å; E1076-R1100 IonicContact OE1-NH2 3.22Å; E1076-R1100 IonicContact OE2-CZ 2.62Å; E1076-R1100 IonicContact OE2-NH1 3.34Å; E1076-R1100 PolarHBondContact OE2-NH1 3.17Å; E1076-R1100 IonicContact OE2-NH2 2.88Å; E1076-R1100 PolarHBondContact OE2-NH2 2.83Å |
| 1077 | E | 77.2 | Confident | 83 | Confident | 146 Ų | 146 | 49.9 Ų | 49.9 | 68% | 0.682 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | 63.5 | 18.4 | -171.8 | -52.9 | 177 | -170.2 | 0 | 0 | 115.3 | N1075 K1079 | N1075-E1077 PolarHBondContact O-N 3.41Å; E1077-K1079 HydrophobicContact CB-CD 4.25Å; E1077-K1079 HydrophobicContact CB-CG 4.35Å; E1077-K1079 PolarHBondContact O-N 2.92Å; E1077-K1079 VanDerWaalsContact O-N 3.12Å; E1077-K1079 WeakPolarHBondContact OE2-CE 3.43Å; E1077-K1079 IonicContact OE2-NZ 3.15Å; E1077-K1079 PolarHBondContact OE2-NZ 3.21Å |
| 1078 | D | 84 | Confident | 83.5 | Confident | 106 Ų | 106 | 50.3 Ų | 50.3 | 57% | 0.567 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | 49.2 | 40.8 | 179.5 | -72.5 | -43.3 | 0 | 0 | 0 | 113.2 | N1075 E1076 F1080 N1092 | N1075-D1078 PolarHBondContact ND2-OD1 2.76Å; N1075-D1078 PolarHBondContact O-N 2.77Å; N1075-D1078 VanDerWaalsContact O-N 3.09Å; E1076-D1078 PolarHBondContact O-N 3.35Å; D1078-F1080 PolarHBondContact O-N 2.88Å; D1078-N1092 WeakPolarHBondContact O-CB 3.31Å; D1078-N1092 PolarHBondContact O-ND2 2.8Å |
| 1079 | K | 83.6 | Confident | 83.8 | Confident | 30 Ų | 30 | 49.2 Ų | 49.2 | 13% | 0.13 | 28% | 0.277 | C | S | . | . | trans | -62.7 | -29.1 | -179.7 | -65.1 | -55.3 | -169.4 | -167.8 | 0 | 113.3 | N1075 E1077 N1092 S1093 L1095 Y1103 | N1075-K1079 PolarHBondContact OD1-N 2.88Å; E1077-K1079 HydrophobicContact CB-CD 4.25Å; E1077-K1079 HydrophobicContact CB-CG 4.35Å; E1077-K1079 PolarHBondContact O-N 2.92Å; E1077-K1079 VanDerWaalsContact O-N 3.12Å; E1077-K1079 WeakPolarHBondContact OE2-CE 3.43Å; E1077-K1079 IonicContact OE2-NZ 3.15Å; E1077-K1079 PolarHBondContact OE2-NZ 3.21Å; K1079-N1092 PolarHBondContact O-N 2.9Å; K1079-S1093 PolarHBondContact O-N 2.82Å; K1079-L1095 HydrophobicContact CB-CD2 3.99Å; K1079-L1095 HydrophobicContact CG-CD2 4.37Å; K1079-Y1103 HydrophobicContact CB-CE1 4.43Å; K1079-Y1103 HydrophobicContact CG-CE1 4.21Å; K1079-Y1103 WeakPolarHBondContact CG-OH 2.95Å | ||
| 1080 | F | 87.4 | Confident | 84 | Confident | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 144 | 179 | -56.5 | -77.6 | 0 | 0 | 0 | 110.9 | V1055 I1071 N1075 D1078 I1089 Y1090 V1091 L1095 Y1103 L1105 W1133 | V1055-F1080 HydrophobicContact CG2-CD1 3.95Å; V1055-F1080 HydrophobicContact CG2-CE1 4.01Å; I1071-F1080 HydrophobicContact CD1-CB 4.37Å; N1075-F1080 PolarHBondContact ND2-O 2.98Å; N1075-F1080 WeakPolarHBondContact OD1-CA 3.41Å; N1075-F1080 WeakPolarHBondContact OD1-CB 3.16Å; N1075-F1080 WeakPolarHBondContact OD1-CD2 3.43Å; N1075-F1080 PolarHBondContact OD1-N 2.73Å; N1075-F1080 PolarHBondContact OD1-O 3.14Å; D1078-F1080 PolarHBondContact O-N 2.88Å; F1080-I1089 HydrophobicContact CB-CG2 4.17Å; F1080-I1089 HydrophobicContact CD1-CG2 4.48Å; F1080-Y1090 CarbonylContact C-O 3.6Å; F1080-Y1090 WeakPolarHBondContact CA-O 3.42Å; F1080-V1091 HydrophobicContact CE1-CG2 4.41Å; F1080-L1095 HydrophobicContact CE1-CD1 4.33Å; F1080-L1095 HydrophobicContact CE1-CD2 4.17Å; F1080-L1095 HydrophobicContact CE2-CD2 4.31Å; F1080-L1095 HydrophobicContact CZ-CD1 4.39Å; F1080-L1095 HydrophobicContact CZ-CD2 3.65Å; F1080-Y1103 HydrophobicContact CD2-CD1 4.36Å; F1080-Y1103 HydrophobicContact CD2-CG 4.42Å; F1080-Y1103 AromaticContact CE2-CD1 3.72Å; F1080-Y1103 HydrophobicContact CE2-CD1 3.72Å; F1080-Y1103 AromaticContact CE2-CD2 3.68Å; F1080-Y1103 HydrophobicContact CE2-CD2 3.68Å; F1080-Y1103 HydrophobicContact CE2-CE1 4.14Å; F1080-Y1103 HydrophobicContact CE2-CE2 4.12Å; F1080-Y1103 AromaticContact CE2-CG 3.48Å; F1080-Y1103 HydrophobicContact CE2-CG 3.48Å; F1080-Y1103 VanDerWaalsContact CE2-CG 3.48Å; F1080-Y1103 HydrophobicContact CZ-CD2 4.01Å; F1080-Y1103 HydrophobicContact CZ-CE2 4.44Å; F1080-Y1103 HydrophobicContact CZ-CG 4.2Å; F1080-L1105 HydrophobicContact CB-CD1 4.14Å; F1080-L1105 HydrophobicContact CD2-CD1 4.15Å; F1080-L1105 HydrophobicContact CD2-CD2 3.93Å; F1080-L1105 HydrophobicContact CG-CD1 4.05Å; F1080-L1105 HydrophobicContact CG-CD2 4.5Å; F1080-W1133 AromaticContact CE1-CH2 3.4Å; F1080-W1133 HydrophobicContact CE1-CH2 3.4Å; F1080-W1133 VanDerWaalsContact CE1-CH2 3.4Å; F1080-W1133 HydrophobicContact CE1-CZ2 4.17Å; F1080-W1133 HydrophobicContact CE1-CZ3 4.11Å; F1080-W1133 HydrophobicContact CE2-CH2 4.47Å; F1080-W1133 HydrophobicContact CE2-CZ2 4.48Å; F1080-W1133 AromaticContact CZ-CH2 3.24Å; F1080-W1133 HydrophobicContact CZ-CH2 3.24Å; F1080-W1133 AromaticContact CZ-CZ2 3.52Å; F1080-W1133 HydrophobicContact CZ-CZ2 3.52Å; F1080-W1133 HydrophobicContact CZ-CZ3 4.19Å |
| 1081 | G | 87.7 | Confident | 84.1 | Confident | 9 Ų | 9 | 50 Ų | 50 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 150.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | I1089 Y1090 | G1081-I1089 CarbonylContact O-C 3.55Å; G1081-I1089 VanDerWaalsContact O-CA 3.3Å; G1081-I1089 WeakPolarHBondContact O-CA 3.31Å; G1081-Y1090 PolarHBondContact N-O 3.11Å; G1081-Y1090 WeakPolarHBondContact O-CD1 3.38Å; G1081-Y1090 PolarHBondContact O-N 2.04Å |
| 1082 | I | 89 | Confident | 84.3 | Confident | 27 Ų | 27 | 51 Ų | 51 | 14% | 0.138 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134.2 | 168.3 | -168.3 | 166.3 | 0 | 0 | 0 | 109.3 | I1058 I1071 N1084 V1088 I1089 | I1058-I1082 HydrophobicContact CD1-CD1 3.42Å; I1058-I1082 VanDerWaalsContact CD1-CD1 3.42Å; I1058-I1082 HydrophobicContact CG1-CD1 3.9Å; I1071-I1082 HydrophobicContact CD1-CB 3.88Å; I1071-I1082 HydrophobicContact CD1-CG2 3.98Å; I1071-I1082 HydrophobicContact CG1-CB 3.97Å; I1071-I1082 HydrophobicContact CG1-CG2 3.75Å; I1082-N1084 PolarHBondContact O-N 2.97Å; I1082-V1088 CarbonylContact C-O 3.51Å; I1082-V1088 WeakPolarHBondContact CA-O 3.34Å; I1082-I1089 HydrophobicContact CB-CG1 4.34Å; I1082-I1089 HydrophobicContact CD1-CD1 4.41Å; I1082-I1089 HydrophobicContact CD1-CG1 3.85Å; I1082-I1089 HydrophobicContact CG1-CG1 3.95Å |
| 1083 | N | 88.4 | Confident | 84.6 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 34% | 0.342 | 27% | 0.265 | S | S | . | . | trans | -75.9 | 113.8 | 168.6 | -177.8 | -54.4 | 0 | 0 | 0 | 108.5 | V1085 T1086 G1087 V1088 | N1083-V1085 PolarHBondContact O-N 3.5Å; N1083-V1085 VanDerWaalsContact O-N 3.15Å; N1083-V1085 PolarHBondContact OD1-N 3.47Å; N1083-T1086 WeakPolarHBondContact CB-OG1 3.43Å; N1083-T1086 PolarHBondContact O-N 3.01Å; N1083-T1086 PolarHBondContact OD1-N 2.84Å; N1083-T1086 PolarHBondContact OD1-OG1 2.87Å; N1083-T1086 VanDerWaalsContact OD1-OG1 3.06Å; N1083-G1087 WeakPolarHBondContact O-CA 3.43Å; N1083-G1087 PolarHBondContact O-N 3.33Å; N1083-V1088 HydrophobicContact CB-CB 4.35Å; N1083-V1088 PolarHBondContact N-O 3.47Å | ||
| 1084 | N | 85.2 | Confident | 84.7 | Confident | 91 Ų | 91 | 49.8 Ų | 49.8 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17.9 | -172.6 | 64.6 | -8.3 | 0 | 0 | 0 | 114.5 | V1068 Y1069 I1082 | V1068-N1084 CarbonylContact C-O 3.5Å; V1068-N1084 VanDerWaalsContact CA-O 3.31Å; V1068-N1084 WeakPolarHBondContact CA-O 3.43Å; V1068-N1084 HydrophobicContact CG1-CB 4Å; Y1069-N1084 PolarHBondContact N-O 3.13Å; Y1069-N1084 WeakPolarHBondContact O-CA 3.48Å; Y1069-N1084 WeakPolarHBondContact O-CB 3.34Å; I1082-N1084 PolarHBondContact O-N 2.97Å |
| 1085 | V | 84.3 | Confident | 84.8 | Confident | 108 Ų | 108 | 50 Ų | 50 | 66% | 0.655 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -42.9 | 177 | -177.1 | 0 | 0 | 0 | 0 | 112 | N1083 | N1083-V1085 PolarHBondContact O-N 3.5Å; N1083-V1085 VanDerWaalsContact O-N 3.15Å; N1083-V1085 PolarHBondContact OD1-N 3.47Å |
| 1086 | T | 84.6 | Confident | 84.5 | Confident | 72 Ų | 72 | 52.3 Ų | 52.3 | 44% | 0.442 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -14.7 | -172.1 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | N1083 V1088 | N1083-T1086 WeakPolarHBondContact CB-OG1 3.43Å; N1083-T1086 PolarHBondContact O-N 3.01Å; N1083-T1086 PolarHBondContact OD1-N 2.84Å; N1083-T1086 PolarHBondContact OD1-OG1 2.87Å; N1083-T1086 VanDerWaalsContact OD1-OG1 3.06Å; T1086-V1088 PolarHBondContact O-N 2.75Å; T1086-V1088 WeakPolarHBondContact OG1-CG2 3.48Å |
| 1087 | G | 81.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | 71.8 | 12.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1057 I1058 N1083 I1089 | V1057-G1087 WeakPolarHBondContact CA-O 3.43Å; I1058-G1087 WeakPolarHBondContact CG1-O 3.46Å; I1058-G1087 PolarHBondContact N-O 2.8Å; N1083-G1087 WeakPolarHBondContact O-CA 3.43Å; N1083-G1087 PolarHBondContact O-N 3.33Å; G1087-I1089 PolarHBondContact O-N 3.21Å | ||
| 1088 | V | 88.8 | Confident | 84.5 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 21% | 0.212 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 120.2 | 178.3 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | V1054 V1057 I1082 N1083 T1086 | V1054-V1088 HydrophobicContact CB-CG1 4.43Å; V1054-V1088 HydrophobicContact CG1-CG1 3.75Å; V1054-V1088 HydrophobicContact CG2-CG1 3.95Å; V1057-V1088 HydrophobicContact CG1-CG2 4.17Å; V1057-V1088 HydrophobicContact CG2-CB 4.43Å; V1057-V1088 HydrophobicContact CG2-CG1 4.46Å; V1057-V1088 HydrophobicContact CG2-CG2 3.87Å; I1082-V1088 CarbonylContact C-O 3.51Å; I1082-V1088 WeakPolarHBondContact CA-O 3.34Å; N1083-V1088 HydrophobicContact CB-CB 4.35Å; N1083-V1088 PolarHBondContact N-O 3.47Å; T1086-V1088 PolarHBondContact O-N 2.75Å; T1086-V1088 WeakPolarHBondContact OG1-CG2 3.48Å |
| 1089 | I | 87.6 | Confident | 84 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 130.4 | 172.7 | -57.6 | 174.1 | 0 | 0 | 0 | 108.5 | V1055 G1056 I1058 F1080 G1081 I1082 G1087 L1105 V1107 | V1055-I1089 HydrophobicContact CB-CG2 4.2Å; V1055-I1089 PolarHBondContact N-O 3.28Å; G1056-I1089 PolarHBondContact N-O 3.45Å; G1056-I1089 PolarHBondContact O-N 2.85Å; I1058-I1089 HydrophobicContact CG2-CD1 4.13Å; F1080-I1089 HydrophobicContact CB-CG2 4.17Å; F1080-I1089 HydrophobicContact CD1-CG2 4.48Å; G1081-I1089 CarbonylContact O-C 3.55Å; G1081-I1089 VanDerWaalsContact O-CA 3.3Å; G1081-I1089 WeakPolarHBondContact O-CA 3.31Å; I1082-I1089 HydrophobicContact CB-CG1 4.34Å; I1082-I1089 HydrophobicContact CD1-CD1 4.41Å; I1082-I1089 HydrophobicContact CD1-CG1 3.85Å; I1082-I1089 HydrophobicContact CG1-CG1 3.95Å; G1087-I1089 PolarHBondContact O-N 3.21Å; I1089-L1105 HydrophobicContact CD1-CD1 4.34Å; I1089-L1105 HydrophobicContact CG2-CD1 4.01Å; I1089-V1107 HydrophobicContact CD1-CG1 4.47Å |
| 1090 | Y | 89.1 | Confident | 83.4 | Confident | 77 Ų | 77 | 54.6 Ų | 54.6 | 30% | 0.302 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 159.4 | -178.5 | 61.5 | -88.4 | 0 | 0 | 0 | 111.9 | T1053 F1080 G1081 N1092 | T1053-Y1090 CarbonylContact O-C 3.58Å; T1053-Y1090 WeakPolarHBondContact O-CA 3.47Å; T1053-Y1090 WeakPolarHBondContact O-CB 3.06Å; F1080-Y1090 CarbonylContact C-O 3.6Å; F1080-Y1090 WeakPolarHBondContact CA-O 3.42Å; G1081-Y1090 PolarHBondContact N-O 3.11Å; G1081-Y1090 WeakPolarHBondContact O-CD1 3.38Å; G1081-Y1090 PolarHBondContact O-N 2.04Å; Y1090-N1092 HydrophobicContact CE2-CB 4.31Å; Y1090-N1092 PolarHBondContact O-N 3.49Å |
| 1091 | V | 86.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 120.2 | 174.8 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | V1045 A1049 R1051 G1052 T1053 V1055 F1080 S1093 L1095 | V1045-V1091 HydrophobicContact CG1-CG2 4.01Å; A1049-V1091 HydrophobicContact CB-CG2 4.37Å; R1051-V1091 CarbonylContact C-O 3.53Å; R1051-V1091 WeakPolarHBondContact CA-O 3.41Å; G1052-V1091 PolarHBondContact N-O 3.41Å; T1053-V1091 PolarHBondContact O-N 2.97Å; V1055-V1091 HydrophobicContact CG2-CG2 3.78Å; F1080-V1091 HydrophobicContact CE1-CG2 4.41Å; V1091-S1093 WeakPolarHBondContact CG1-O 3.18Å; V1091-L1095 HydrophobicContact CG1-CD1 4.04Å; V1091-L1095 HydrophobicContact CG1-CG 4.07Å; V1091-L1095 HydrophobicContact CG2-CD1 3.9Å |
| 1092 | N | 87.9 | Confident | 82.3 | Confident | 57 Ų | 57 | 60 Ų | 60 | 31% | 0.305 | 32% | 0.322 | S | S | . | . | trans | -102.2 | -28.8 | -178.4 | -174.2 | 48.4 | 0 | 0 | 0 | 112.7 | R1051 D1078 K1079 Y1090 | R1051-N1092 WeakPolarHBondContact CD-O 3.35Å; R1051-N1092 WeakPolarHBondContact CG-O 3.5Å; R1051-N1092 PolarHBondContact NE-O 2.74Å; D1078-N1092 WeakPolarHBondContact O-CB 3.31Å; D1078-N1092 PolarHBondContact O-ND2 2.8Å; K1079-N1092 PolarHBondContact O-N 2.9Å; Y1090-N1092 HydrophobicContact CE2-CB 4.31Å; Y1090-N1092 PolarHBondContact O-N 3.49Å | ||
| 1093 | S | 84.5 | Confident | 81.7 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -134.7 | 156.1 | 176.9 | -71.6 | 0 | 0 | 0 | 0 | 111.3 | K1079 V1091 L1095 | K1079-S1093 PolarHBondContact O-N 2.82Å; V1091-S1093 WeakPolarHBondContact CG1-O 3.18Å; S1093-L1095 PolarHBondContact O-N 2.94Å |
| 1094 | P | 82 | Confident | 81.3 | Confident | 78 Ų | 78 | 59.7 Ų | 59.7 | 51% | 0.506 | 32% | 0.323 | S | S | . | . | trans | -56.6 | 137.7 | 178.8 | 22 | -32.1 | 0 | 0 | 0 | 111.2 | ||||
| 1095 | L | 79.2 | Confident | 81.1 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 7% | 0.073 | 30% | 0.301 | C | S | . | . | trans | -100.1 | 140 | -178.4 | -61.7 | 170.2 | 0 | 0 | 0 | 108.7 | V1045 K1079 F1080 V1091 S1093 W1133 | V1045-L1095 HydrophobicContact CG1-CD1 4.38Å; K1079-L1095 HydrophobicContact CB-CD2 3.99Å; K1079-L1095 HydrophobicContact CG-CD2 4.37Å; F1080-L1095 HydrophobicContact CE1-CD1 4.33Å; F1080-L1095 HydrophobicContact CE1-CD2 4.17Å; F1080-L1095 HydrophobicContact CE2-CD2 4.31Å; F1080-L1095 HydrophobicContact CZ-CD1 4.39Å; F1080-L1095 HydrophobicContact CZ-CD2 3.65Å; V1091-L1095 HydrophobicContact CG1-CD1 4.04Å; V1091-L1095 HydrophobicContact CG1-CG 4.07Å; V1091-L1095 HydrophobicContact CG2-CD1 3.9Å; S1093-L1095 PolarHBondContact O-N 2.94Å; L1095-W1133 HydrophobicContact CD1-CD2 4.26Å; L1095-W1133 HydrophobicContact CD1-CE3 3.5Å; L1095-W1133 HydrophobicContact CD1-CH2 3.86Å; L1095-W1133 HydrophobicContact CD1-CZ2 4.46Å; L1095-W1133 HydrophobicContact CD1-CZ3 3.21Å | ||
| 1096 | D | 79.6 | Confident | 80.9 | Confident | 71 Ų | 71 | 56.5 Ų | 56.5 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | trans | -128.9 | 116.7 | -177.9 | 171.4 | -33.8 | 0 | 0 | 0 | 106.8 | E1098 T1099 R1100 | D1096-E1098 WeakPolarHBondContact OD1-CB 3.44Å; D1096-E1098 PolarHBondContact OD1-N 2.83Å; D1096-T1099 HydrophobicContact CB-CG2 4.47Å; D1096-T1099 VanDerWaalsContact CB-OG1 3.28Å; D1096-T1099 WeakPolarHBondContact CB-OG1 2.98Å; D1096-T1099 PolarHBondContact O-OG1 3.45Å; D1096-T1099 PolarHBondContact OD1-N 3.26Å; D1096-T1099 PolarHBondContact OD1-OG1 3.03Å; D1096-T1099 VanDerWaalsContact OD1-OG1 3.05Å; D1096-T1099 WeakPolarHBondContact OD2-CG2 3.35Å; D1096-R1100 PolarHBondContact O-N 3.39Å | ||
| 1097 | Y | 75.8 | Confident | 80.7 | Confident | 76 Ų | 76 | 53.1 Ų | 53.1 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -32 | -174.1 | -176.3 | -102.5 | 0 | 0 | 0 | 112.2 | E1047 T1099 T1101 W1133 T1135 | E1047-Y1097 VanDerWaalsContact OE2-CB 3.24Å; E1047-Y1097 WeakPolarHBondContact OE2-CB 3.19Å; Y1097-T1099 VanDerWaalsContact C-N 3.31Å; Y1097-T1099 PolarHBondContact O-N 2.82Å; Y1097-T1101 HydrophobicContact CD2-CG2 4.39Å; Y1097-T1101 HydrophobicContact CE1-CG2 4.29Å; Y1097-T1101 HydrophobicContact CE2-CG2 4Å; Y1097-W1133 HydrophobicContact CD2-CB 3.83Å; Y1097-W1133 AromaticContact CD2-CD1 3.98Å; Y1097-W1133 HydrophobicContact CD2-CG 4.34Å; Y1097-W1133 HydrophobicContact CE2-CB 4.33Å; Y1097-W1133 VanDerWaalsContact CE2-O 3.3Å; Y1097-W1133 WeakPolarHBondContact CE2-O 3.24Å; Y1097-T1135 HydrophobicContact CD1-CG2 3.59Å; Y1097-T1135 HydrophobicContact CE1-CG2 4.22Å; Y1097-T1135 HydrophobicContact CG-CG2 4.03Å |
| 1098 | E | 77.5 | Confident | 80.5 | Confident | 143 Ų | 143 | 54.5 Ų | 54.5 | 67% | 0.668 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -35.1 | 178 | -71 | 70.5 | -156.6 | 0 | 0 | 111.9 | D1096 | D1096-E1098 WeakPolarHBondContact OD1-CB 3.44Å; D1096-E1098 PolarHBondContact OD1-N 2.83Å |
| 1099 | T | 72.8 | Confident | 79.9 | Confident | 104 Ų | 104 | 52.8 Ų | 52.8 | 64% | 0.638 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -43.7 | 179.2 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | D1096 Y1097 | D1096-T1099 HydrophobicContact CB-CG2 4.47Å; D1096-T1099 VanDerWaalsContact CB-OG1 3.28Å; D1096-T1099 WeakPolarHBondContact CB-OG1 2.98Å; D1096-T1099 PolarHBondContact O-OG1 3.45Å; D1096-T1099 PolarHBondContact OD1-N 3.26Å; D1096-T1099 PolarHBondContact OD1-OG1 3.03Å; D1096-T1099 VanDerWaalsContact OD1-OG1 3.05Å; D1096-T1099 WeakPolarHBondContact OD2-CG2 3.35Å; Y1097-T1099 VanDerWaalsContact C-N 3.31Å; Y1097-T1099 PolarHBondContact O-N 2.82Å |
| 1100 | R | 72.4 | Confident | 79.2 | Confident | 92 Ų | 92 | 53.7 Ų | 53.7 | 35% | 0.347 | 27% | 0.273 | S | S | . | . | trans | -151.4 | 114.3 | -179.2 | -160.2 | 166.8 | -178.4 | -178.4 | -6.2 | 113.1 | E1076 D1096 S1102 Y1103 | E1076-R1100 IonicContact OE1-NH2 3.22Å; E1076-R1100 IonicContact OE2-CZ 2.62Å; E1076-R1100 IonicContact OE2-NH1 3.34Å; E1076-R1100 PolarHBondContact OE2-NH1 3.17Å; E1076-R1100 IonicContact OE2-NH2 2.88Å; E1076-R1100 PolarHBondContact OE2-NH2 2.83Å; D1096-R1100 PolarHBondContact O-N 3.39Å; R1100-S1102 PolarHBondContact O-N 3.47Å; R1100-Y1103 HydrophobicContact CB-CE2 4.24Å; R1100-Y1103 HydrophobicContact CG-CE2 4.22Å | ||
| 1101 | T | 74.6 | Confident | 78.4 | Confident | 76 Ų | 76 | 50.2 Ų | 50.2 | 47% | 0.466 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -79.6 | -14.7 | -173.7 | 58.2 | 0 | 0 | 0 | 0 | 114.8 | Y1097 W1133 | Y1097-T1101 HydrophobicContact CD2-CG2 4.39Å; Y1097-T1101 HydrophobicContact CE1-CG2 4.29Å; Y1097-T1101 HydrophobicContact CE2-CG2 4Å; T1101-W1133 VanDerWaalsContact O-CD1 3.3Å; T1101-W1133 PolarHBondContact O-NE1 3.04Å |
| 1102 | S | 76.3 | Confident | 77.6 | Confident | 49 Ų | 49 | 53.6 Ų | 53.6 | 34% | 0.343 | 28% | 0.278 | S | S | . | . | trans | -158.4 | 144.9 | -171.6 | 80.2 | 0 | 0 | 0 | 0 | 113.1 | R1100 | R1100-S1102 PolarHBondContact O-N 3.47Š| ||
| 1103 | Y | 77.3 | Confident | 76.6 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 6% | 0.059 | 29% | 0.292 | C | S | . | . | trans | -126.5 | 132.2 | 177 | -75.6 | -96.2 | 0 | 0 | 0 | 110.9 | K1079 F1080 R1100 P1130 W1133 | K1079-Y1103 HydrophobicContact CB-CE1 4.43Å; K1079-Y1103 HydrophobicContact CG-CE1 4.21Å; K1079-Y1103 WeakPolarHBondContact CG-OH 2.95Å; F1080-Y1103 HydrophobicContact CD2-CD1 4.36Å; F1080-Y1103 HydrophobicContact CD2-CG 4.42Å; F1080-Y1103 AromaticContact CE2-CD1 3.72Å; F1080-Y1103 HydrophobicContact CE2-CD1 3.72Å; F1080-Y1103 AromaticContact CE2-CD2 3.68Å; F1080-Y1103 HydrophobicContact CE2-CD2 3.68Å; F1080-Y1103 HydrophobicContact CE2-CE1 4.14Å; F1080-Y1103 HydrophobicContact CE2-CE2 4.12Å; F1080-Y1103 AromaticContact CE2-CG 3.48Å; F1080-Y1103 HydrophobicContact CE2-CG 3.48Å; F1080-Y1103 VanDerWaalsContact CE2-CG 3.48Å; F1080-Y1103 HydrophobicContact CZ-CD2 4.01Å; F1080-Y1103 HydrophobicContact CZ-CE2 4.44Å; F1080-Y1103 HydrophobicContact CZ-CG 4.2Å; R1100-Y1103 HydrophobicContact CB-CE2 4.24Å; R1100-Y1103 HydrophobicContact CG-CE2 4.22Å; Y1103-P1130 WeakPolarHBondContact O-CA 2.92Å; Y1103-W1133 AromaticContact CD2-CZ2 3.92Å; Y1103-W1133 HydrophobicContact CD2-CZ2 3.92Å | ||
| 1104 | V | 80.6 | Confident | 75.6 | Confident | 70 Ų | 70 | 56.3 Ų | 56.3 | 42% | 0.424 | 29% | 0.286 | S | S | . | . | trans | -111.1 | 97 | 174.6 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | G1074 V1128 | G1074-V1104 WeakPolarHBondContact CA-O 3.34Å; V1104-V1128 WeakPolarHBondContact CA-O 3.36Å | ||
| 1105 | L | 80.5 | Confident | 74.7 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 123.6 | -177.5 | -59.5 | 171.9 | 0 | 0 | 0 | 109.6 | I1071 G1074 N1075 F1080 I1089 V1107 V1128 | I1071-L1105 HydrophobicContact CG2-CD2 4.27Å; G1074-L1105 VanDerWaalsContact O-CD2 3.31Å; G1074-L1105 WeakPolarHBondContact O-CD2 3.26Å; N1075-L1105 HydrophobicContact CB-CD2 3.85Å; F1080-L1105 HydrophobicContact CB-CD1 4.14Å; F1080-L1105 HydrophobicContact CD2-CD1 4.15Å; F1080-L1105 HydrophobicContact CD2-CD2 3.93Å; F1080-L1105 HydrophobicContact CG-CD1 4.05Å; F1080-L1105 HydrophobicContact CG-CD2 4.5Å; I1089-L1105 HydrophobicContact CD1-CD1 4.34Å; I1089-L1105 HydrophobicContact CG2-CD1 4.01Å; L1105-V1107 HydrophobicContact CB-CG1 4.44Å; L1105-V1128 HydrophobicContact CB-CB 4.28Å; L1105-V1128 PolarHBondContact N-O 3.37Å; L1105-V1128 PolarHBondContact O-N 2.71Å |
| 1106 | R | 79.8 | Confident | 73.7 | Confident | 125 Ų | 125 | 61.1 Ų | 61.1 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 117.6 | 169 | -164 | 175.9 | -178.6 | -178.1 | -2.2 | 108.3 | V1072 A1073 S1125 | V1072-R1106 HydrophobicContact CG2-CB 4.3Å; V1072-R1106 HydrophobicContact CG2-CG 4.16Å; V1072-R1106 WeakPolarHBondContact CG2-O 3.3Å; V1072-R1106 PolarHBondContact N-O 2.83Å; A1073-R1106 HydrophobicContact CB-CB 4.02Å; A1073-R1106 PolarHBondContact N-O 3.02Å; A1073-R1106 PolarHBondContact O-N 3.36Å; R1106-S1125 PolarHBondContact NE-OG 2.86Å; R1106-S1125 VanDerWaalsContact NE-OG 3.1Å; R1106-S1125 PolarHBondContact NH2-OG 3.31Å |
| 1107 | V | 81 | Confident | 72.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 147.3 | -176 | -66.4 | 0 | 0 | 0 | 0 | 110.8 | F1035 I1058 S1070 I1071 I1089 L1105 L1126 V1128 | F1035-V1107 HydrophobicContact CE1-CG2 4.32Å; F1035-V1107 HydrophobicContact CZ-CG2 4.02Å; I1058-V1107 HydrophobicContact CD1-CB 3.65Å; I1058-V1107 HydrophobicContact CD1-CG1 3.93Å; I1058-V1107 HydrophobicContact CD1-CG2 3.6Å; S1070-V1107 WeakPolarHBondContact O-CA 3.46Å; I1071-V1107 HydrophobicContact CG1-CG1 4.01Å; I1089-V1107 HydrophobicContact CD1-CG1 4.47Å; L1105-V1107 HydrophobicContact CB-CG1 4.44Å; V1107-L1126 HydrophobicContact CG2-CB 4.39Å; V1107-L1126 PolarHBondContact N-O 3.45Å; V1107-L1126 PolarHBondContact O-N 2.85Å; V1107-V1128 HydrophobicContact CG1-CG2 4.3Å; V1107-V1128 HydrophobicContact CG2-CG2 3.85Å |
| 1108 | Q | 77.7 | Confident | 71.7 | Confident | 29 Ų | 29 | 63.9 Ų | 63.9 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 144.8 | 178.7 | -173.1 | 170.4 | -20 | 0 | 0 | 109.8 | Y1069 S1070 V1072 D1110 | Y1069-Q1108 WeakPolarHBondContact CA-O 3.08Å; S1070-Q1108 PolarHBondContact N-O 2.88Å; S1070-Q1108 PolarHBondContact O-N 3.04Å; V1072-Q1108 HydrophobicContact CG1-CB 4.09Å; V1072-Q1108 HydrophobicContact CG2-CB 4.11Å; Q1108-D1110 VanDerWaalsContact NE2-CG 3.29Å; Q1108-D1110 PolarHBondContact NE2-OD1 3.02Å; Q1108-D1110 PolarHBondContact NE2-OD2 2.8Å |
| 1109 | A | 76.1 | Confident | 70.8 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 116 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | P1033 F1035 A1060 I1067 V1068 Y1069 S1123 | P1033-A1109 HydrophobicContact CB-CB 4.11Å; F1035-A1109 HydrophobicContact CE1-CB 3.85Å; F1035-A1109 HydrophobicContact CE2-CB 4Å; F1035-A1109 HydrophobicContact CZ-CB 3.51Å; A1060-A1109 HydrophobicContact CB-CB 3.59Å; I1067-A1109 HydrophobicContact CG2-CB 3.81Å; V1068-A1109 WeakPolarHBondContact O-CA 3.37Å; Y1069-A1109 HydrophobicContact CD1-CB 4Å; Y1069-A1109 HydrophobicContact CE1-CB 3.99Å; A1109-S1123 WeakPolarHBondContact O-CB 3.39Å; A1109-S1123 PolarHBondContact O-OG 3.26Å |
| 1110 | D | 73.1 | Confident | 69.9 | Low | 21 Ų | 21 | 62.9 Ų | 62.9 | 11% | 0.112 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.5 | -179.8 | -65.3 | -43.4 | 0 | 0 | 0 | 109.7 | I1067 V1068 Q1108 V1115 | I1067-D1110 CarbonylContact C-O 3.57Å; I1067-D1110 WeakPolarHBondContact CA-O 3.4Å; V1068-D1110 PolarHBondContact N-O 3.39Å; V1068-D1110 PolarHBondContact O-N 3.33Å; Q1108-D1110 VanDerWaalsContact NE2-CG 3.29Å; Q1108-D1110 PolarHBondContact NE2-OD1 3.02Å; Q1108-D1110 PolarHBondContact NE2-OD2 2.8Å; D1110-V1115 HydrophobicContact CB-CG2 3.59Å |
| 1111 | S | 71 | Confident | 69.1 | Low | 4 Ų | 4 | 58.7 Ų | 58.7 | 3% | 0.028 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 143.7 | 171.5 | 49.3 | 0 | 0 | 0 | 0 | 110.4 | Q1065 S1066 E1113 V1114 V1115 | Q1065-S1111 PolarHBondContact OE1-OG 3.44Å; S1066-S1111 CarbonylContact O-C 3.45Å; S1066-S1111 WeakPolarHBondContact O-CA 3.23Å; S1111-E1113 PolarHBondContact O-N 3.44Å; S1111-E1113 VanDerWaalsContact O-N 3.12Å; S1111-V1114 WeakPolarHBondContact O-CA 3.42Å; S1111-V1114 WeakPolarHBondContact O-CB 3.38Å; S1111-V1114 PolarHBondContact O-N 2.91Å; S1111-V1114 WeakPolarHBondContact OG-CG2 3.4Å; S1111-V1115 PolarHBondContact O-N 3.48Å |
| 1112 | L | 70.7 | Confident | 67.8 | Low | 72 Ų | 72 | 58.6 Ų | 58.6 | 38% | 0.377 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.8 | -34.1 | -176.6 | -172.6 | 71.3 | 0 | 0 | 0 | 112.1 | S1066 V1068 V1114 V1115 L1116 | S1066-L1112 PolarHBondContact O-N 2.88Å; S1066-L1112 WeakPolarHBondContact OG-CB 3.35Å; S1066-L1112 WeakPolarHBondContact OG-CD2 3.35Å; V1068-L1112 HydrophobicContact CG2-CB 4.22Å; V1068-L1112 HydrophobicContact CG2-CD1 3.57Å; L1112-V1114 VanDerWaalsContact C-N 3.35Å; L1112-V1115 PolarHBondContact O-N 3.48Å; L1112-L1116 HydrophobicContact CD2-CD1 4.44Å; L1112-L1116 HydrophobicContact CG-CD1 4Å; L1112-L1116 HydrophobicContact CG-CG 4.37Å; L1112-L1116 WeakPolarHBondContact O-CB 3.04Å; L1112-L1116 VanDerWaalsContact O-CG 3.25Å; L1112-L1116 WeakPolarHBondContact O-CG 3.39Å; L1112-L1116 PolarHBondContact O-N 2.88Å |
| 1113 | E | 65.8 | Low | 66.6 | Low | 131 Ų | 131 | 56.6 Ų | 56.6 | 61% | 0.612 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.8 | -38.2 | 176.5 | -162.9 | 170.6 | -165.1 | 0 | 0 | 112.2 | S1111 A1117 | S1111-E1113 PolarHBondContact O-N 3.44Å; S1111-E1113 VanDerWaalsContact O-N 3.12Å; E1113-A1117 VanDerWaalsContact O-CB 3.29Å; E1113-A1117 WeakPolarHBondContact O-CB 3.31Å; E1113-A1117 PolarHBondContact O-N 3Å; E1113-A1117 VanDerWaalsContact O-N 3.12Å |
| 1114 | V | 64.2 | Low | 65.2 | Low | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.5 | -41.5 | 175.9 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | M934 S1111 L1112 A1117 N1118 L1119 V1121 | M934-V1114 HydrophobicContact SD-CG2 4.04Å; S1111-V1114 WeakPolarHBondContact O-CA 3.42Å; S1111-V1114 WeakPolarHBondContact O-CB 3.38Å; S1111-V1114 PolarHBondContact O-N 2.91Å; S1111-V1114 WeakPolarHBondContact OG-CG2 3.4Å; L1112-V1114 VanDerWaalsContact C-N 3.35Å; V1114-A1117 PolarHBondContact O-N 2.83Å; V1114-N1118 PolarHBondContact O-N 3.27Å; V1114-L1119 HydrophobicContact CG1-CB 4.34Å; V1114-L1119 WeakPolarHBondContact CG1-O 3.34Å; V1114-L1119 PolarHBondContact O-N 3.04Å; V1114-V1121 HydrophobicContact CG1-CB 4.34Å; V1114-V1121 HydrophobicContact CG1-CG2 3.85Å; V1114-V1121 HydrophobicContact CG2-CG2 3.87Å |
| 1115 | V | 63.2 | Low | 63.7 | Low | 56 Ų | 56 | 61 Ų | 61 | 34% | 0.339 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 175.9 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | V1068 D1110 S1111 L1112 A1117 N1118 | V1068-V1115 HydrophobicContact CB-CG2 4.11Å; V1068-V1115 HydrophobicContact CG2-CG2 4.27Å; D1110-V1115 HydrophobicContact CB-CG2 3.59Å; S1111-V1115 PolarHBondContact O-N 3.48Å; L1112-V1115 PolarHBondContact O-N 3.48Å; V1115-A1117 PolarHBondContact O-N 3.39Å; V1115-N1118 PolarHBondContact O-N 3.06Å |
| 1116 | L | 58.9 | Low | 62.5 | Low | 137 Ų | 137 | 61.5 Ų | 61.5 | 72% | 0.717 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.2 | -30 | 177.6 | -74.8 | 169.4 | 0 | 0 | 0 | 112.3 | L1112 N1118 | L1112-L1116 HydrophobicContact CD2-CD1 4.44Å; L1112-L1116 HydrophobicContact CG-CD1 4Å; L1112-L1116 HydrophobicContact CG-CG 4.37Å; L1112-L1116 WeakPolarHBondContact O-CB 3.04Å; L1112-L1116 VanDerWaalsContact O-CG 3.25Å; L1112-L1116 WeakPolarHBondContact O-CG 3.39Å; L1112-L1116 PolarHBondContact O-N 2.88Å; L1116-N1118 VanDerWaalsContact C-N 3.32Å |
| 1117 | A | 57.5 | Low | 61 | Low | 53 Ų | 53 | 58.5 Ų | 58.5 | 44% | 0.438 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -3.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1113 V1114 V1115 L1119 | E1113-A1117 VanDerWaalsContact O-CB 3.29Å; E1113-A1117 WeakPolarHBondContact O-CB 3.31Å; E1113-A1117 PolarHBondContact O-N 3Å; E1113-A1117 VanDerWaalsContact O-N 3.12Å; V1114-A1117 PolarHBondContact O-N 2.83Å; V1115-A1117 PolarHBondContact O-N 3.39Å; A1117-L1119 HydrophobicContact CB-CB 4.31Å; A1117-L1119 HydrophobicContact CB-CD1 3.64Å; A1117-L1119 HydrophobicContact CB-CG 3.74Å; A1117-L1119 PolarHBondContact O-N 2.86Å; A1117-L1119 VanDerWaalsContact O-N 3.13Å |
| 1118 | N | 54.6 | Low | 59.7 | Low | 152 Ų | 152 | 58.7 Ų | 58.7 | 81% | 0.813 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 27.3 | -168.9 | -83.4 | -17.2 | 0 | 0 | 0 | 113.2 | V1114 V1115 L1116 | V1114-N1118 PolarHBondContact O-N 3.27Å; V1115-N1118 PolarHBondContact O-N 3.06Å; L1116-N1118 VanDerWaalsContact C-N 3.32Å |
| 1119 | L | 59.1 | Low | 58.3 | Low | 27 Ų | 27 | 58.8 Ų | 58.8 | 14% | 0.141 | 31% | 0.31 | C | S | . | . | trans | -88.3 | 141.3 | 176.3 | -66 | 171.4 | 0 | 0 | 0 | 108 | K932 M934 V1114 A1117 | K932-L1119 VanDerWaalsContact O-CD2 3.27Å; K932-L1119 WeakPolarHBondContact O-CD2 3.39Å; M934-L1119 HydrophobicContact CG-CD1 3.96Å; M934-L1119 HydrophobicContact SD-CD1 3.73Å; V1114-L1119 HydrophobicContact CG1-CB 4.34Å; V1114-L1119 WeakPolarHBondContact CG1-O 3.34Å; V1114-L1119 PolarHBondContact O-N 3.04Å; A1117-L1119 HydrophobicContact CB-CB 4.31Å; A1117-L1119 HydrophobicContact CB-CD1 3.64Å; A1117-L1119 HydrophobicContact CB-CG 3.74Å; A1117-L1119 PolarHBondContact O-N 2.86Å; A1117-L1119 VanDerWaalsContact O-N 3.13Å | ||
| 1120 | R | 54.7 | Low | 57.1 | Low | 198 Ų | 198 | 61.6 Ų | 61.6 | 75% | 0.747 | 33% | 0.328 | S | S | * | . | trans | -102 | 111.2 | 170.8 | -81.9 | -175.7 | 178 | 177.7 | 0.8 | 108.4 | ||||
| 1121 | V | 53.8 | Low | 55.9 | Low | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | trans | -98 | 114.3 | 160.6 | -175.8 | 0 | 0 | 0 | 0 | 104.4 | M934 L1027 I1032 V1114 S1123 | M934-V1121 HydrophobicContact CB-CG2 3.9Å; M934-V1121 HydrophobicContact SD-CG2 4.43Å; L1027-V1121 HydrophobicContact CD1-CB 4.09Å; L1027-V1121 HydrophobicContact CD1-CG1 3.59Å; L1027-V1121 HydrophobicContact CD1-CG2 3.34Å; I1032-V1121 HydrophobicContact CG1-CG1 4.33Å; I1032-V1121 HydrophobicContact CG2-CG1 4.45Å; V1114-V1121 HydrophobicContact CG1-CB 4.34Å; V1114-V1121 HydrophobicContact CG1-CG2 3.85Å; V1114-V1121 HydrophobicContact CG2-CG2 3.87Å; V1121-S1123 PolarHBondContact O-N 2.94Å | ||
| 1122 | P | 48.1 | Very low | 54.9 | Low | 74 Ų | 74 | 64 Ų | 64 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | trans | -63.5 | 92.3 | 175.3 | 22.9 | -28.8 | 0 | 0 | 0 | 108.6 | T943 | T943-P1122 HydrophobicContact CG2-CG 3.86Š| ||
| 1123 | S | 50.8 | Low | 54.2 | Low | 8 Ų | 8 | 61.1 Ų | 61.1 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | trans | -67.8 | 156.1 | 162.3 | 61.7 | 0 | 0 | 0 | 0 | 108 | A1109 V1121 S1125 | A1109-S1123 WeakPolarHBondContact O-CB 3.39Å; A1109-S1123 PolarHBondContact O-OG 3.26Å; V1121-S1123 PolarHBondContact O-N 2.94Å; S1123-S1125 PolarHBondContact O-N 2.81Å | ||
| 1124 | K | 49 | Very low | 53.3 | Low | 134 Ų | 134 | 65 Ų | 65 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | trans | -57 | 101.4 | 179.9 | -121.7 | -174.8 | 179.3 | -169.7 | 0 | 108.5 | F1035 L1126 | F1035-K1124 WeakPolarHBondContact CD2-O 3.26Å; F1035-K1124 VanDerWaalsContact CE2-O 3.23Å; F1035-K1124 WeakPolarHBondContact CE2-O 3.29Å; K1124-L1126 PolarHBondContact O-N 3.44Å | ||
| 1125 | S | 48.9 | Very low | 52.3 | Low | 44 Ų | 44 | 67.2 Ų | 67.2 | 31% | 0.308 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 122.3 | 175.1 | 60.9 | 0 | 0 | 0 | 0 | 108.5 | R1106 S1123 | R1106-S1125 PolarHBondContact NE-OG 2.86Å; R1106-S1125 VanDerWaalsContact NE-OG 3.1Å; R1106-S1125 PolarHBondContact NH2-OG 3.31Å; S1123-S1125 PolarHBondContact O-N 2.81Å |
| 1126 | L | 55.6 | Low | 51.2 | Low | 18 Ų | 18 | 73.2 Ų | 73.2 | 9% | 0.094 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 141.3 | 179.1 | -142.3 | 93.7 | 0 | 0 | 0 | 109.7 | F1035 E1038 Y1040 V1107 K1124 | F1035-L1126 HydrophobicContact CB-CD1 4.21Å; F1035-L1126 HydrophobicContact CD2-CB 3.92Å; F1035-L1126 HydrophobicContact CD2-CD1 4.35Å; F1035-L1126 HydrophobicContact CE2-CB 4.17Å; F1035-L1126 HydrophobicContact CG-CB 4.34Å; E1038-L1126 VanDerWaalsContact O-CD1 3.3Å; E1038-L1126 WeakPolarHBondContact O-CD1 3.32Å; E1038-L1126 WeakPolarHBondContact O-CD2 3.26Å; E1038-L1126 WeakPolarHBondContact O-CG 3.16Å; Y1040-L1126 HydrophobicContact CD2-CD2 3.41Å; Y1040-L1126 VanDerWaalsContact CD2-CD2 3.41Å; Y1040-L1126 HydrophobicContact CE2-CD2 3.8Å; V1107-L1126 HydrophobicContact CG2-CB 4.39Å; V1107-L1126 PolarHBondContact N-O 3.45Å; V1107-L1126 PolarHBondContact O-N 2.85Å; K1124-L1126 PolarHBondContact O-N 3.44Å |
| 1127 | S | 47.2 | Very low | 50.3 | Low | 61 Ų | 61 | 72.7 Ų | 72.7 | 43% | 0.427 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 117.8 | 169.9 | -57.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 1128 | V | 54.3 | Low | 49.2 | Very low | 5 Ų | 5 | 75.5 Ų | 75.5 | 3% | 0.03 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 124.8 | 170.4 | -175.9 | 0 | 0 | 0 | 0 | 107.4 | Y1040 P1042 I1058 V1104 L1105 V1107 | Y1040-V1128 WeakPolarHBondContact O-CG1 3.28Å; P1042-V1128 HydrophobicContact CG-CG1 3.88Å; I1058-V1128 HydrophobicContact CG2-CG2 4.24Å; V1104-V1128 WeakPolarHBondContact CA-O 3.36Å; L1105-V1128 HydrophobicContact CB-CB 4.28Å; L1105-V1128 PolarHBondContact N-O 3.37Å; L1105-V1128 PolarHBondContact O-N 2.71Å; V1107-V1128 HydrophobicContact CG1-CG2 4.3Å; V1107-V1128 HydrophobicContact CG2-CG2 3.85Å |
| 1129 | I | 48.2 | Very low | 48.1 | Very low | 31 Ų | 31 | 77.5 Ų | 77.5 | 16% | 0.159 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 150.4 | -168.5 | -71.5 | 179.2 | 0 | 0 | 0 | 110.5 | E1039 Y1040 R1041 C1131 | E1039-I1129 HydrophobicContact CB-CD1 4.05Å; E1039-I1129 HydrophobicContact CG-CD1 3.78Å; E1039-I1129 WeakPolarHBondContact OE1-CD1 3.46Å; E1039-I1129 WeakPolarHBondContact OE2-CD1 3.31Å; Y1040-I1129 PolarHBondContact O-N 3.12Å; R1041-I1129 HydrophobicContact CG-CB 3.75Å; R1041-I1129 HydrophobicContact CG-CD1 4.38Å; R1041-I1129 HydrophobicContact CG-CG2 3.7Å; R1041-I1129 VanDerWaalsContact NH2-CD1 3.25Å; I1129-C1131 PolarHBondContact O-N 3.37Å |
| 1130 | P | 50.6 | Low | 46.7 | Very low | 58 Ų | 58 | 80.4 Ų | 80.4 | 38% | 0.377 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 126.5 | -156.1 | 15.3 | -32.7 | 0 | 0 | 0 | 116.3 | Y1103 S1132 | Y1103-P1130 WeakPolarHBondContact O-CA 2.92Å; P1130-S1132 PolarHBondContact O-N 3.39Å; P1130-S1132 VanDerWaalsContact O-N 3.14Å |
| 1131 | C | 47.2 | Very low | 45.4 | Very low | 7 Ų | 7 | 78.6 Ų | 78.6 | 5% | 0.047 | 43% | 0.425 | C | S | . | . | trans | -65.6 | 105.4 | 156 | -67.4 | 0 | 0 | 0 | 0 | 107.9 | V1055 I1129 W1133 | V1055-C1131 WeakPolarHBondContact CG1-SG 3.18Å; I1129-C1131 PolarHBondContact O-N 3.37Å; C1131-W1133 HydrophobicContact CB-CH2 3.29Å; C1131-W1133 HydrophobicContact CB-CZ2 3.26Å; C1131-W1133 HydrophobicContact CB-CZ3 4.1Å; C1131-W1133 WeakPolarHBondContact O-CZ2 3.26Å; C1131-W1133 PolarHBondContact O-NE1 2.95Å; C1131-W1133 VanDerWaalsContact O-NE1 3.13Å | ||
| 1132 | S | 50.4 | Low | 44.3 | Very low | 69 Ų | 69 | 82 Ų | 82 | 48% | 0.483 | 46% | 0.461 | S | S | . | . | trans | -85.6 | 126.8 | 168.6 | 58.4 | 0 | 0 | 0 | 0 | 108.9 | P1044 P1130 | P1044-S1132 WeakPolarHBondContact CA-O 3.48Å; P1044-S1132 WeakPolarHBondContact CB-O 3.33Å; P1130-S1132 PolarHBondContact O-N 3.39Å; P1130-S1132 VanDerWaalsContact O-N 3.14Å | ||
| 1133 | W | 57 | Low | 43.3 | Very low | 12 Ų | 12 | 85.4 Ų | 85.4 | 5% | 0.045 | 48% | 0.475 | C | S | . | . | trans | -95.3 | 164.7 | -178.5 | -29.6 | 86.7 | 0 | 0 | 0 | 111.3 | V1045 F1080 L1095 Y1097 T1101 Y1103 C1131 | V1045-W1133 HydrophobicContact CB-CE3 3.44Å; V1045-W1133 VanDerWaalsContact CB-CE3 3.44Å; V1045-W1133 HydrophobicContact CB-CH2 4.33Å; V1045-W1133 HydrophobicContact CB-CZ3 3.23Å; V1045-W1133 HydrophobicContact CG1-CE3 3.74Å; V1045-W1133 HydrophobicContact CG1-CZ3 3.45Å; V1045-W1133 VanDerWaalsContact CG1-CZ3 3.45Å; V1045-W1133 HydrophobicContact CG2-CZ3 4.17Å; V1045-W1133 VanDerWaalsContact O-CA 3.25Å; V1045-W1133 WeakPolarHBondContact O-CA 3.42Å; V1045-W1133 WeakPolarHBondContact O-CB 3.34Å; F1080-W1133 AromaticContact CE1-CH2 3.4Å; F1080-W1133 HydrophobicContact CE1-CH2 3.4Å; F1080-W1133 VanDerWaalsContact CE1-CH2 3.4Å; F1080-W1133 HydrophobicContact CE1-CZ2 4.17Å; F1080-W1133 HydrophobicContact CE1-CZ3 4.11Å; F1080-W1133 HydrophobicContact CE2-CH2 4.47Å; F1080-W1133 HydrophobicContact CE2-CZ2 4.48Å; F1080-W1133 AromaticContact CZ-CH2 3.24Å; F1080-W1133 HydrophobicContact CZ-CH2 3.24Å; F1080-W1133 AromaticContact CZ-CZ2 3.52Å; F1080-W1133 HydrophobicContact CZ-CZ2 3.52Å; F1080-W1133 HydrophobicContact CZ-CZ3 4.19Å; L1095-W1133 HydrophobicContact CD1-CD2 4.26Å; L1095-W1133 HydrophobicContact CD1-CE3 3.5Å; L1095-W1133 HydrophobicContact CD1-CH2 3.86Å; L1095-W1133 HydrophobicContact CD1-CZ2 4.46Å; L1095-W1133 HydrophobicContact CD1-CZ3 3.21Å; Y1097-W1133 HydrophobicContact CD2-CB 3.83Å; Y1097-W1133 AromaticContact CD2-CD1 3.98Å; Y1097-W1133 HydrophobicContact CD2-CG 4.34Å; Y1097-W1133 HydrophobicContact CE2-CB 4.33Å; Y1097-W1133 VanDerWaalsContact CE2-O 3.3Å; Y1097-W1133 WeakPolarHBondContact CE2-O 3.24Å; T1101-W1133 VanDerWaalsContact O-CD1 3.3Å; T1101-W1133 PolarHBondContact O-NE1 3.04Å; Y1103-W1133 AromaticContact CD2-CZ2 3.92Å; Y1103-W1133 HydrophobicContact CD2-CZ2 3.92Å; C1131-W1133 HydrophobicContact CB-CH2 3.29Å; C1131-W1133 HydrophobicContact CB-CZ2 3.26Å; C1131-W1133 HydrophobicContact CB-CZ3 4.1Å; C1131-W1133 WeakPolarHBondContact O-CZ2 3.26Å; C1131-W1133 PolarHBondContact O-NE1 2.95Å; C1131-W1133 VanDerWaalsContact O-NE1 3.13Å | ||
| 1134 | R | 45.6 | Very low | 42.3 | Very low | 211 Ų | 211 | 94.5 Ų | 94.5 | 80% | 0.796 | 52% | 0.516 | S | S | * | . | trans | -129.9 | 119.3 | -176.9 | -153.6 | -173.2 | -130.3 | -171.9 | 4.6 | 111 | ||||
| 1135 | T | 44.4 | Very low | 41.3 | Very low | 52 Ų | 52 | 96 Ų | 96 | 32% | 0.319 | 53% | 0.53 | S | S | . | . | trans | -71.8 | 128.5 | 170.6 | 51.2 | 0 | 0 | 0 | 0 | 110.6 | Y1097 V1137 | Y1097-T1135 HydrophobicContact CD1-CG2 3.59Å; Y1097-T1135 HydrophobicContact CE1-CG2 4.22Å; Y1097-T1135 HydrophobicContact CG-CG2 4.03Å; T1135-V1137 PolarHBondContact O-N 3.41Å | ||
| 1136 | Q | 40.2 | Very low | 40.3 | Very low | 182 Ų | 182 | 97.4 Ų | 97.4 | 85% | 0.85 | 55% | 0.551 | S | S | * | * | trans | -87.4 | 93.7 | 173.6 | -147.2 | -174.1 | 11.2 | 0 | 0 | 109.6 | S1138 | Q1136-S1138 PolarHBondContact O-N 2.63Å; Q1136-S1138 VanDerWaalsContact O-N 3.07Å | ||
| 1137 | V | 38.2 | Very low | 39.2 | Very low | 127 Ų | 127 | 103.2 Ų | 103.2 | 77% | 0.77 | 59% | 0.587 | S | S | * | * | trans | -71.6 | 101.8 | -179.5 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | T1135 | T1135-V1137 PolarHBondContact O-N 3.41Š| ||
| 1138 | S | 35.5 | Very low | 38.3 | Very low | 112 Ų | 112 | 105.9 Ų | 105.9 | 78% | 0.783 | 60% | 0.602 | S | S | * | * | trans | -74.8 | 123.2 | 168.8 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | Q1136 S1140 | Q1136-S1138 PolarHBondContact O-N 2.63Å; Q1136-S1138 VanDerWaalsContact O-N 3.07Å; S1138-S1140 PolarHBondContact O-N 3.38Å | ||
| 1139 | K | 30.7 | Very low | 37.3 | Very low | 194 Ų | 194 | 112.3 Ų | 112.3 | 84% | 0.843 | 64% | 0.641 | S | S | * | * | trans | -65.5 | 121.3 | -177.1 | -94.3 | 176.5 | 173.9 | 175.6 | 0 | 113.7 | ||||
| 1140 | S | 29.2 | Very low | 36.3 | Very low | 87 Ų | 87 | 115.3 Ų | 115.3 | 61% | 0.608 | 67% | 0.666 | S | S | * | * | 39.1 | 117.5 | 128.8 | 67.9 | 0 | 0 | 0 | 0 | 119.6 | S1138 | S1138-S1140 PolarHBondContact O-N 3.38Š| |||
| 1141 | L | 28.6 | Very low | 35.5 | Very low | 160 Ų | 160 | 121.4 Ų | 121.4 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | 159.5 | 107.2 | 104.6 | -100.5 | 123.7 | 0 | 0 | 0 | 109.8 | L1143 | L1141-L1143 HydrophobicContact CD2-CD1 4.43Š| |||
| 1142 | G | 30.7 | Very low | 34.5 | Very low | 77 Ų | 77 | 126 Ų | 126 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | trans | -162 | 88.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1143 | L | 27 | Very low | 33.8 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | -58.6 | 133.4 | 173.6 | -80.7 | 86.1 | 0 | 0 | 0 | 110 | L1141 | L1141-L1143 HydrophobicContact CD2-CD1 4.43Š| ||
| 1144 | E | 30.1 | Very low | 32.6 | Very low | 198 Ų | 198 | 138 Ų | 138 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | -157.3 | 133.5 | 124.4 | -130.1 | 156.4 | -172 | 0 | 0 | 111 | |||||
| 1145 | L | 27.2 | Very low | 31.9 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -104.5 | 140.1 | -175.8 | -84.1 | 156.5 | 0 | 0 | 0 | 109.1 | ||||
| 1146 | G | 29.5 | Very low | 31.4 | Very low | 72 Ų | 72 | 134.8 Ų | 134.8 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 111.7 | 132.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1147 | V | 30.5 | Very low | 31.1 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | cis | -157.4 | 152.2 | 24.4 | 168.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1148 | P | 29.8 | Very low | 30.8 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -91.3 | 152.7 | -168.2 | 34.2 | -28.7 | 0 | 0 | 0 | 113.7 | ||||
| 1149 | V | 31.8 | Very low | 30.9 | Very low | 140 Ų | 140 | 140 Ų | 140 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -127.6 | 122.3 | 160.3 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1150 | S | 28.4 | Very low | 31 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 66% | 0.664 | 82% | 0.818 | S | S | * | * | trans | -68 | 143.6 | 172.9 | 49 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1151 | H | 32.7 | Very low | 31.3 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | -160.7 | 132.9 | 131.4 | -104 | -67.9 | 0 | 0 | 0 | 111.4 | ||||
| 1152 | S | 27.7 | Very low | 31.5 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 83% | 0.825 | S | S | * | * | trans | -104.2 | 134.6 | 179.2 | 49.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1153 | V | 34.4 | Very low | 31.7 | Very low | 139 Ų | 139 | 137 Ų | 137 | 84% | 0.842 | 83% | 0.828 | S | S | * | * | trans | -152 | 95 | 158.4 | -176.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1154 | E | 31.7 | Very low | 31.9 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 91% | 0.911 | 84% | 0.838 | S | S | * | * | 64.9 | 98 | 91.4 | -129 | 173.7 | -155.6 | 0 | 0 | 114.8 | |||||
| 1155 | S | 32.5 | Very low | 32.2 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -98.6 | 116.4 | 178.4 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1156 | G | 33.4 | Very low | 32.4 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 88% | 0.876 | 83% | 0.831 | S | S | * | * | trans | -87.8 | 112.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1157 | T | 33.1 | Very low | 32.6 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 84% | 0.84 | 83% | 0.834 | S | S | * | * | trans | -95 | 116.4 | 169.5 | 27.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1158 | R | 33.1 | Very low | 32.7 | Very low | 258 Ų | 258 | 136.3 Ų | 136.3 | 97% | 0.974 | 83% | 0.833 | S | S | * | * | trans | -99.1 | 106.9 | -177.7 | -150.6 | 176.6 | -169 | -178.7 | 3 | 109.4 | ||||
| 1159 | T | 36.3 | Very low | 32.9 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | trans | -89.6 | 123.1 | 172.9 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1160 | G | 34.2 | Very low | 32.9 | Very low | 86 Ų | 86 | 136 Ų | 136 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | -76.8 | 133.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1161 | S | 34.3 | Very low | 33.1 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 85% | 0.849 | S | S | * | * | trans | -119.3 | 123.5 | 171.4 | 59.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1162 | S | 32.7 | Very low | 33.1 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 85% | 0.846 | 85% | 0.848 | S | S | * | * | trans | -75.1 | 130.1 | 171.9 | 70.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1163 | T | 35.3 | Very low | 33.4 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 85% | 0.853 | 86% | 0.855 | S | S | * | * | trans | -128.4 | 117.5 | 164.4 | 27.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1164 | R | 30.4 | Very low | 33.3 | Very low | 255 Ų | 255 | 143.7 Ų | 143.7 | 96% | 0.962 | 86% | 0.856 | S | S | * | * | trans | -90.6 | 120.9 | 175 | -159.5 | -176.3 | -165.2 | -173.2 | 4 | 106.4 | ||||
| 1165 | A | 36.6 | Very low | 33.4 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | trans | -145.2 | 107.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1166 | A | 31.4 | Very low | 33.5 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 85% | 0.851 | 86% | 0.858 | S | S | * | * | trans | -91 | 132.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1167 | S | 35 | Very low | 33.5 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 79% | 0.79 | 86% | 0.856 | S | S | * | * | trans | -163.5 | 100.5 | 160.6 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1168 | V | 31.8 | Very low | 33.5 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 84% | 0.836 | 86% | 0.858 | S | S | * | * | trans | -101.6 | 128.9 | 150.3 | 173.6 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 1169 | P | 34.1 | Very low | 33.5 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 67% | 0.669 | 85% | 0.849 | S | S | * | * | -158 | 153.4 | 85.5 | 36.1 | -13.2 | 0 | 0 | 0 | 118.6 | |||||
| 1170 | I | 31.6 | Very low | 33.3 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 76% | 0.764 | 85% | 0.85 | S | S | * | * | trans | 55.6 | 105.2 | 132.8 | -53 | 164.7 | 0 | 0 | 0 | 117.5 | ||||
| 1171 | H | 32.4 | Very low | 33.2 | Very low | 252 Ų | 252 | 143.6 Ų | 143.6 | 100% | 1.167 | 85% | 0.847 | S | S | * | * | -145.3 | 0 | 115.2 | -122.6 | -51.1 | 0 | 0 | 0 | 112 |
Retrieved 1,171 of 1,171 residues in 764.8 ms
(Link to these results)