| 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 | 24.4 | Very low | 30.6 | Very low | 238 Ų | 238 | 145 Ų | 145 | 100% | 1.172 | 68% | 0.679 | S | S | * | * | 0 | 71.5 | 0 | -72.7 | -152.9 | -147.8 | 0 | 0 | 111.6 | |||||
| 2 | L | 26.9 | Very low | 31.3 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | trans | -136.3 | 25.2 | 153.6 | -109.5 | 149.6 | 0 | 0 | 0 | 109.1 | L26 | L2-L26 HydrophobicContact CD1-CD2 3.72Å; L2-L26 HydrophobicContact CD2-CD2 4.06Å | ||
| 3 | Q | 27.3 | Very low | 31.6 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 77% | 0.771 | 66% | 0.656 | S | S | * | * | trans | -64 | 131.2 | 159.3 | -98.9 | 179.2 | -27.1 | 0 | 0 | 107.4 | ||||
| 4 | F | 32.2 | Very low | 32 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 62% | 0.618 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 70.3 | 53.6 | 148.4 | -77.7 | -96.9 | 0 | 0 | 0 | 119.9 | V7 | F4-V7 HydrophobicContact CD1-CB 3.75Å; F4-V7 HydrophobicContact CD1-CG1 4.03Å; F4-V7 HydrophobicContact CD1-CG2 3.58Å; F4-V7 HydrophobicContact CE1-CB 4.06Å; F4-V7 HydrophobicContact CE1-CG1 3.96Å; F4-V7 HydrophobicContact CE1-CG2 3.65Å; F4-V7 HydrophobicContact CG-CG2 4.23Å; F4-V7 HydrophobicContact CZ-CG2 4.34Å |
| 5 | Q | 26.4 | Very low | 32.8 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -120.5 | -14.9 | 145.7 | -99.8 | -170 | -11.8 | 0 | 0 | 115.9 | V7 L8 | Q5-V7 VanDerWaalsContact C-N 3.29Å; Q5-V7 PolarHBondContact O-N 2.64Å; Q5-L8 PolarHBondContact O-N 3.39Å |
| 6 | L | 29.5 | Very low | 33.4 | Very low | 92 Ų | 92 | 144.8 Ų | 144.8 | 48% | 0.482 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -75.5 | -18.1 | 169.9 | -114 | 123.6 | 0 | 0 | 0 | 113.7 | L8 A22 L24 | L6-L8 PolarHBondContact O-N 3.42Å; L6-A22 HydrophobicContact CD1-CB 4.48Å; L6-A22 HydrophobicContact CD2-CB 4.19Å; L6-L24 HydrophobicContact CD1-CD1 3.67Å; L6-L24 HydrophobicContact CD1-CD2 4.37Å; L6-L24 HydrophobicContact CD1-CG 4.2Å |
| 7 | V | 33.7 | Very low | 34.1 | Very low | 56 Ų | 56 | 142.1 Ų | 142.1 | 34% | 0.339 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -65.1 | -23.6 | 173.5 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | F4 Q5 | F4-V7 HydrophobicContact CD1-CB 3.75Å; F4-V7 HydrophobicContact CD1-CG1 4.03Å; F4-V7 HydrophobicContact CD1-CG2 3.58Å; F4-V7 HydrophobicContact CE1-CB 4.06Å; F4-V7 HydrophobicContact CE1-CG1 3.96Å; F4-V7 HydrophobicContact CE1-CG2 3.65Å; F4-V7 HydrophobicContact CG-CG2 4.23Å; F4-V7 HydrophobicContact CZ-CG2 4.34Å; Q5-V7 VanDerWaalsContact C-N 3.29Å; Q5-V7 PolarHBondContact O-N 2.64Å |
| 8 | L | 30.5 | Very low | 34.5 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 62% | 0.623 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -94.9 | -23.9 | -177.5 | -94.2 | 148.7 | 0 | 0 | 0 | 114.6 | Q5 L6 | Q5-L8 PolarHBondContact O-N 3.39Å; L6-L8 PolarHBondContact O-N 3.42Å |
| 9 | Y | 33.3 | Very low | 35 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 75% | 0.745 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -75.9 | -30.5 | 179.3 | -125.6 | -87.4 | 0 | 0 | 0 | 112.9 | ||
| 10 | Y | 34.5 | Very low | 35.6 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 47% | 0.467 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -78.8 | -30.6 | 178.1 | -146.6 | -78.9 | 0 | 0 | 0 | 113.4 | C12 Y13 P20 | Y10-C12 PolarHBondContact O-N 3.36Å; Y10-Y13 PolarHBondContact O-N 2.71Å; Y10-P20 HydrophobicContact CD2-CB 4.1Å; Y10-P20 HydrophobicContact CD2-CG 4.16Å; Y10-P20 HydrophobicContact CE2-CB 3.72Å; Y10-P20 HydrophobicContact CE2-CG 3.28Å |
| 11 | F | 38.4 | Very low | 36 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 72% | 0.724 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.2 | -26.3 | 176.7 | -104.2 | -78.2 | 0 | 0 | 0 | 112.6 | ||
| 12 | C | 38 | Very low | 37.1 | Very low | 95 Ų | 95 | 122.5 Ų | 122.5 | 64% | 0.642 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -79.4 | -20.4 | 178.1 | -65.9 | 0 | 0 | 0 | 0 | 114 | Y10 | Y10-C12 PolarHBondContact O-N 3.36Å |
| 13 | Y | 36.1 | Very low | 38 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 42% | 0.42 | 61% | 0.613 | S | S | . | * | trans | -99 | 5.4 | -172.4 | -112.6 | -96.1 | 0 | 0 | 0 | 115.9 | Y10 R15 S16 M18 | Y10-Y13 PolarHBondContact O-N 2.71Å; Y13-R15 PolarHBondContact O-N 3.37Å; Y13-S16 VanDerWaalsContact CD1-O 3.26Å; Y13-S16 WeakPolarHBondContact CD1-O 3.2Å; Y13-S16 WeakPolarHBondContact CD1-OG 3.3Å; Y13-S16 WeakPolarHBondContact CE1-OG 3.12Å; Y13-S16 PolarHBondContact O-N 2.7Å; Y13-M18 HydrophobicContact CD1-CB 4.33Å; Y13-M18 HydrophobicContact CE1-CB 3.78Å; Y13-M18 HydrophobicContact CE1-CG 4.07Å; Y13-M18 HydrophobicContact CE1-SD 4.37Å | ||
| 14 | R | 37.3 | Very low | 38.9 | Very low | 223 Ų | 223 | 119 Ų | 119 | 84% | 0.842 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -2.5 | 170.6 | -107.9 | -168.2 | -172.7 | -171.3 | 4.1 | 114.4 | ||
| 15 | R | 44 | Very low | 39.7 | Very low | 246 Ų | 246 | 116.1 Ų | 116.1 | 93% | 0.928 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 0.1 | 179 | -82 | -171.5 | 174.8 | -179 | -0.6 | 116.7 | Y13 | Y13-R15 PolarHBondContact O-N 3.37Š|
| 16 | S | 41.7 | Very low | 40.9 | Very low | 51 Ų | 51 | 109.8 Ų | 109.8 | 36% | 0.357 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -142.6 | 118.3 | 174.1 | 42.1 | 0 | 0 | 0 | 0 | 109.1 | Y13 M18 | Y13-S16 VanDerWaalsContact CD1-O 3.26Å; Y13-S16 WeakPolarHBondContact CD1-O 3.2Å; Y13-S16 WeakPolarHBondContact CD1-OG 3.3Å; Y13-S16 WeakPolarHBondContact CE1-OG 3.12Å; Y13-S16 PolarHBondContact O-N 2.7Å; S16-M18 PolarHBondContact O-N 2.94Å |
| 17 | G | 44.9 | Very low | 41.9 | Very low | 99 Ų | 99 | 111.4 Ų | 111.4 | 100% | 1.021 | 56% | 0.555 | S | S | * | * | trans | -67.2 | 49.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 18 | M | 41.4 | Very low | 42.7 | Very low | 135 Ų | 135 | 114.9 Ų | 114.9 | 67% | 0.665 | 56% | 0.563 | S | S | * | * | trans | -96.3 | 145.2 | 169.4 | -57.7 | -165.8 | 77.3 | 0 | 0 | 111.2 | Y13 S16 | Y13-M18 HydrophobicContact CD1-CB 4.33Å; Y13-M18 HydrophobicContact CE1-CB 3.78Å; Y13-M18 HydrophobicContact CE1-CG 4.07Å; Y13-M18 HydrophobicContact CE1-SD 4.37Å; S16-M18 PolarHBondContact O-N 2.94Å | ||
| 19 | T | 44.7 | Very low | 43.9 | Very low | 100 Ų | 100 | 110.7 Ų | 110.7 | 61% | 0.613 | 54% | 0.542 | S | S | * | . | trans | -64.3 | 135.2 | 175.4 | 44.3 | 0 | 0 | 0 | 0 | 111.8 | S21 | T19-S21 PolarHBondContact O-N 2.71Š| ||
| 20 | P | 46.8 | Very low | 44.9 | Very low | 37 Ų | 37 | 107.5 Ų | 107.5 | 24% | 0.24 | 53% | 0.529 | C | S | . | . | trans | -78.8 | 105.3 | -179.3 | 13.7 | -1.2 | 0 | 0 | 0 | 111.4 | Y10 | Y10-P20 HydrophobicContact CD2-CB 4.1Å; Y10-P20 HydrophobicContact CD2-CG 4.16Å; Y10-P20 HydrophobicContact CE2-CB 3.72Å; Y10-P20 HydrophobicContact CE2-CG 3.28Å | ||
| 21 | S | 43.9 | Very low | 45.9 | Very low | 102 Ų | 102 | 104.6 Ų | 104.6 | 71% | 0.713 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 126.7 | 165.9 | 58 | 0 | 0 | 0 | 0 | 110 | T19 | T19-S21 PolarHBondContact O-N 2.71Å |
| 22 | A | 47.4 | Very low | 46.5 | Very low | 20 Ų | 20 | 101.5 Ų | 101.5 | 17% | 0.165 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 110.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L6 C60 V61 | L6-A22 HydrophobicContact CD1-CB 4.48Å; L6-A22 HydrophobicContact CD2-CB 4.19Å; A22-C60 CarbonylContact C-O 3.51Å; A22-C60 PolarHBondContact N-O 3.45Å; A22-V61 WeakPolarHBondContact O-CA 3.23Å |
| 23 | R | 45.8 | Very low | 47 | Very low | 184 Ų | 184 | 98.1 Ų | 98.1 | 69% | 0.694 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 115.5 | 175 | -142.4 | -179.6 | -169.9 | 164.9 | 9.7 | 109.1 | E62 | R23-E62 HydrophobicContact CG-CB 3.91Å; R23-E62 IonicContact CZ-OE2 3.79Å; R23-E62 IonicContact NE-OE2 3.1Å; R23-E62 PolarHBondContact NE-OE2 2.87Å; R23-E62 IonicContact NH2-OE1 3.17Å; R23-E62 IonicContact NH2-OE2 2.9Å; R23-E62 PolarHBondContact NH2-OE2 2.92Å |
| 24 | L | 46.1 | Very low | 47.6 | Very low | 49 Ų | 49 | 96.2 Ų | 96.2 | 26% | 0.257 | 49% | 0.489 | S | S | . | . | trans | -115.3 | 85.5 | -178 | -91.5 | 157.3 | 0 | 0 | 0 | 110.2 | L6 L26 V61 E62 L63 | L6-L24 HydrophobicContact CD1-CD1 3.67Å; L6-L24 HydrophobicContact CD1-CD2 4.37Å; L6-L24 HydrophobicContact CD1-CG 4.2Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-L26 HydrophobicContact CD2-CD2 4.34Å; L24-L26 PolarHBondContact O-N 3.32Å; L24-V61 HydrophobicContact CB-CG1 3.88Å; L24-V61 HydrophobicContact CD1-CG1 3.73Å; L24-V61 HydrophobicContact CG-CG1 4.38Å; L24-E62 CarbonylContact C-O 3.48Å; L24-E62 WeakPolarHBondContact CA-O 3.46Å; L24-E62 PolarHBondContact N-O 2.88Å; L24-L63 HydrophobicContact CB-CD2 4.08Å | ||
| 25 | N | 49.7 | Very low | 48.2 | Very low | 80 Ų | 80 | 87.1 Ų | 87.1 | 43% | 0.428 | 46% | 0.459 | S | S | . | . | trans | -73.8 | 86.4 | 172.2 | -75.7 | -14 | 0 | 0 | 0 | 110.4 | H27 | N25-H27 PolarHBondContact O-N 3.02Š| ||
| 26 | L | 50.7 | Low | 48.4 | Very low | 36 Ų | 36 | 78.9 Ų | 78.9 | 19% | 0.188 | 43% | 0.433 | C | S | . | . | trans | -88.9 | 91.2 | 176.5 | -65.5 | 176.2 | 0 | 0 | 0 | 110.1 | L2 L24 Y28 V29 L63 Q64 S65 | L2-L26 HydrophobicContact CD1-CD2 3.72Å; L2-L26 HydrophobicContact CD2-CD2 4.06Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-L26 HydrophobicContact CD2-CD2 4.34Å; L24-L26 PolarHBondContact O-N 3.32Å; L26-Y28 PolarHBondContact O-N 2.67Å; L26-Y28 VanDerWaalsContact O-N 3.12Å; L26-V29 HydrophobicContact CB-CG2 3.42Å; L26-V29 VanDerWaalsContact CB-CG2 3.42Å; L26-V29 HydrophobicContact CD1-CG2 3.62Å; L26-V29 HydrophobicContact CG-CG2 4.08Å; L26-L63 HydrophobicContact CD1-CD2 3.59Å; L26-L63 HydrophobicContact CG-CD2 4.09Å; L26-Q64 CarbonylContact C-O 3.41Å; L26-Q64 PolarHBondContact N-O 2.75Å; L26-S65 VanDerWaalsContact O-CA 3.25Å; L26-S65 WeakPolarHBondContact O-CA 3.45Å; L26-S65 WeakPolarHBondContact O-CB 3.37Å; L26-S65 PolarHBondContact O-OG 2.8Å | ||
| 27 | H | 51.5 | Low | 48.6 | Very low | 126 Ų | 126 | 80.3 Ų | 80.3 | 58% | 0.583 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -58.8 | -25.2 | -177.9 | -78.4 | -80.7 | 0 | 0 | 0 | 114.9 | N25 Y66 | N25-H27 PolarHBondContact O-N 3.02Å; H27-Y66 AromaticContact ND1-CD2 3.79Å; H27-Y66 AromaticContact ND1-CE2 3.78Å |
| 28 | Y | 50.5 | Low | 48.6 | Very low | 130 Ų | 130 | 81.5 Ų | 81.5 | 51% | 0.51 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 124.5 | 177.2 | -177.2 | -96 | 0 | 0 | 0 | 110.2 | L26 R30 F67 | L26-Y28 PolarHBondContact O-N 2.67Å; L26-Y28 VanDerWaalsContact O-N 3.12Å; Y28-R30 HydrophobicContact CE1-CB 3.87Å; Y28-F67 HydrophobicContact CD2-CB 4.2Å; Y28-F67 AromaticContact CD2-CD1 3.88Å; Y28-F67 HydrophobicContact CD2-CD1 3.88Å; Y28-F67 HydrophobicContact CD2-CG 4.47Å; Y28-F67 AromaticContact CE2-CD1 3.4Å; Y28-F67 HydrophobicContact CE2-CD1 3.4Å; Y28-F67 AromaticContact CE2-CE1 3.98Å; Y28-F67 HydrophobicContact CE2-CE1 3.98Å; Y28-F67 HydrophobicContact CE2-CG 4.3Å |
| 29 | V | 55.7 | Low | 48.9 | Very low | 31 Ų | 31 | 77 Ų | 77 | 19% | 0.188 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 109.6 | -180 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | L26 L31 F67 A68 E69 | L26-V29 HydrophobicContact CB-CG2 3.42Å; L26-V29 VanDerWaalsContact CB-CG2 3.42Å; L26-V29 HydrophobicContact CD1-CG2 3.62Å; L26-V29 HydrophobicContact CG-CG2 4.08Å; V29-L31 HydrophobicContact CG1-CD1 3.95Å; V29-L31 HydrophobicContact CG1-CG 3.77Å; V29-F67 PolarHBondContact N-O 3.07Å; V29-A68 HydrophobicContact CB-CB 4.18Å; V29-A68 CarbonylContact O-C 3.47Å; V29-A68 WeakPolarHBondContact O-CA 3.48Å; V29-E69 PolarHBondContact O-N 3.43Å |
| 30 | R | 53.5 | Low | 48.9 | Very low | 123 Ų | 123 | 77.1 Ų | 77.1 | 46% | 0.464 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 106.8 | 171.5 | -158.5 | 176.6 | -157.3 | -173.5 | 2.4 | 109.1 | Y28 E69 | Y28-R30 HydrophobicContact CE1-CB 3.87Å; R30-E69 CarbonylContact C-O 3.34Å; R30-E69 WeakPolarHBondContact CA-O 3.47Å; R30-E69 HydrophobicContact CG-CB 3.95Å; R30-E69 IonicContact CZ-OE2 3.37Å; R30-E69 IonicContact NE-OE2 3.07Å; R30-E69 PolarHBondContact NE-OE2 3.34Å; R30-E69 IonicContact NH2-OE2 2.7Å; R30-E69 PolarHBondContact NH2-OE2 3.29Å |
| 31 | L | 55.5 | Low | 48.8 | Very low | 58 Ų | 58 | 78.5 Ų | 78.5 | 30% | 0.304 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 90.8 | 179.8 | -71.6 | 169.7 | 0 | 0 | 0 | 109.1 | V29 L33 E69 I70 E71 | V29-L31 HydrophobicContact CG1-CD1 3.95Å; V29-L31 HydrophobicContact CG1-CG 3.77Å; L31-L33 HydrophobicContact CB-CD1 4.09Å; L31-L33 HydrophobicContact CB-CG 4.24Å; L31-L33 HydrophobicContact CD1-CD1 4.37Å; L31-L33 HydrophobicContact CD2-CD1 4Å; L31-L33 HydrophobicContact CD2-CG 4.33Å; L31-L33 HydrophobicContact CG-CD1 4.37Å; L31-L33 PolarHBondContact O-N 3.08Å; L31-L33 VanDerWaalsContact O-N 3.1Å; L31-E69 PolarHBondContact N-O 2.96Å; L31-I70 HydrophobicContact CB-CG1 4.45Å; L31-E71 PolarHBondContact O-N 2.94Å |
| 32 | N | 52.1 | Low | 48.9 | Very low | 99 Ų | 99 | 75.6 Ų | 75.6 | 53% | 0.529 | 37% | 0.369 | S | S | . | . | trans | -83.3 | 68.7 | 167 | -66.3 | 1.1 | 0 | 0 | 0 | 108.1 | ||||
| 33 | L | 46.9 | Very low | 48.7 | Very low | 24 Ų | 24 | 76.4 Ų | 76.4 | 13% | 0.126 | 37% | 0.371 | C | S | . | . | trans | -93.1 | 126.6 | 178.4 | -68 | 165.6 | 0 | 0 | 0 | 108.9 | L31 L37 W38 L41 | L31-L33 HydrophobicContact CB-CD1 4.09Å; L31-L33 HydrophobicContact CB-CG 4.24Å; L31-L33 HydrophobicContact CD1-CD1 4.37Å; L31-L33 HydrophobicContact CD2-CD1 4Å; L31-L33 HydrophobicContact CD2-CG 4.33Å; L31-L33 HydrophobicContact CG-CD1 4.37Å; L31-L33 PolarHBondContact O-N 3.08Å; L31-L33 VanDerWaalsContact O-N 3.1Å; L33-L37 HydrophobicContact CB-CB 4.21Å; L33-L37 HydrophobicContact CD2-CB 3.76Å; L33-L37 HydrophobicContact CD2-CD1 4.46Å; L33-L37 HydrophobicContact CD2-CD2 3.61Å; L33-L37 HydrophobicContact CD2-CG 4.13Å; L33-W38 HydrophobicContact CD1-CG 4.29Å; L33-L41 HydrophobicContact CD1-CD1 3.98Å; L33-L41 HydrophobicContact CD2-CD1 4.27Å | ||
| 34 | C | 50.1 | Low | 48.6 | Very low | 68 Ų | 68 | 73.5 Ų | 73.5 | 46% | 0.459 | 36% | 0.363 | S | S | . | . | trans | -52.6 | 143.4 | 156.5 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | D36 L37 W38 | C34-D36 PolarHBondContact O-N 3.26Å; C34-D36 VanDerWaalsContact O-N 3.11Å; C34-L37 HydrophobicContact CB-CB 4.35Å; C34-L37 WeakPolarHBondContact O-CA 3.06Å; C34-L37 VanDerWaalsContact O-CB 3.24Å; C34-L37 WeakPolarHBondContact O-CB 3.49Å; C34-L37 PolarHBondContact O-N 3.36Å; C34-W38 PolarHBondContact O-N 3.35Å | ||
| 35 | P | 49 | Very low | 48.5 | Very low | 31 Ų | 31 | 74.4 Ų | 74.4 | 20% | 0.201 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60 | -29.4 | -175.5 | 21.8 | -30 | 0 | 0 | 0 | 111.5 | L37 W38 L39 P73 | P35-L37 VanDerWaalsContact C-N 3.3Å; P35-L37 PolarHBondContact O-N 2.96Å; P35-W38 WeakPolarHBondContact O-CB 3.25Å; P35-W38 PolarHBondContact O-N 2.89Å; P35-L39 PolarHBondContact O-N 2.69Å; P35-P73 HydrophobicContact CB-CG 4.07Å; P35-P73 HydrophobicContact CG-CG 3.65Å |
| 36 | D | 49.5 | Very low | 48.3 | Very low | 74 Ų | 74 | 72.5 Ų | 72.5 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62 | -35.9 | 171.5 | -66.7 | -43 | 0 | 0 | 0 | 113 | C34 L39 I40 R187 | C34-D36 PolarHBondContact O-N 3.26Å; C34-D36 VanDerWaalsContact O-N 3.11Å; D36-L39 PolarHBondContact O-N 2.85Å; D36-I40 VanDerWaalsContact O-CG1 3.28Å; D36-I40 WeakPolarHBondContact O-CG1 3.31Å; D36-I40 PolarHBondContact O-N 2.79Å; D36-R187 IonicContact OD1-CZ 2.88Å; D36-R187 IonicContact OD1-NH1 3.81Å; D36-R187 PolarHBondContact OD1-NH1 2.94Å; D36-R187 IonicContact OD2-NH1 3.97Å; D36-R187 PolarHBondContact OD2-NH1 2.95Å |
| 37 | L | 45.2 | Very low | 47.9 | Very low | 81 Ų | 81 | 78.4 Ų | 78.4 | 42% | 0.424 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -72.7 | -29.9 | 177.9 | -117.9 | 150.3 | 0 | 0 | 0 | 111.7 | L33 C34 P35 I40 L41 | L33-L37 HydrophobicContact CB-CB 4.21Å; L33-L37 HydrophobicContact CD2-CB 3.76Å; L33-L37 HydrophobicContact CD2-CD1 4.46Å; L33-L37 HydrophobicContact CD2-CD2 3.61Å; L33-L37 HydrophobicContact CD2-CG 4.13Å; C34-L37 HydrophobicContact CB-CB 4.35Å; C34-L37 WeakPolarHBondContact O-CA 3.06Å; C34-L37 VanDerWaalsContact O-CB 3.24Å; C34-L37 WeakPolarHBondContact O-CB 3.49Å; C34-L37 PolarHBondContact O-N 3.36Å; P35-L37 VanDerWaalsContact C-N 3.3Å; P35-L37 PolarHBondContact O-N 2.96Å; L37-I40 PolarHBondContact O-N 3.06Å; L37-L41 VanDerWaalsContact O-CB 3.3Å; L37-L41 WeakPolarHBondContact O-CB 3.23Å; L37-L41 PolarHBondContact O-N 3.12Å |
| 38 | W | 44.6 | Very low | 47.4 | Very low | 124 Ų | 124 | 78.7 Ų | 78.7 | 47% | 0.47 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 171.9 | -128.1 | 111.2 | 0 | 0 | 0 | 111.5 | L33 C34 P35 I40 L41 S42 | L33-W38 HydrophobicContact CD1-CG 4.29Å; C34-W38 PolarHBondContact O-N 3.35Å; P35-W38 WeakPolarHBondContact O-CB 3.25Å; P35-W38 PolarHBondContact O-N 2.89Å; W38-I40 VanDerWaalsContact C-N 3.34Å; W38-L41 PolarHBondContact O-N 3.25Å; W38-S42 WeakPolarHBondContact O-CB 3.32Å; W38-S42 PolarHBondContact O-N 2.78Å |
| 39 | L | 47.8 | Very low | 47 | Very low | 39 Ų | 39 | 74.9 Ų | 74.9 | 20% | 0.204 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 171.8 | -85 | 155.5 | 0 | 0 | 0 | 111.4 | P35 D36 S42 D43 R187 Y188 | P35-L39 PolarHBondContact O-N 2.69Å; D36-L39 PolarHBondContact O-N 2.85Å; L39-S42 PolarHBondContact O-N 3.2Å; L39-D43 PolarHBondContact O-N 2.81Å; L39-R187 HydrophobicContact CD1-CB 4.46Å; L39-Y188 HydrophobicContact CD2-CD2 4.19Å |
| 40 | I | 45.6 | Very low | 46.3 | Very low | 104 Ų | 104 | 76 Ų | 76 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 174 | -67.1 | 163.9 | 0 | 0 | 0 | 111 | D36 L37 W38 D43 F44 | D36-I40 VanDerWaalsContact O-CG1 3.28Å; D36-I40 WeakPolarHBondContact O-CG1 3.31Å; D36-I40 PolarHBondContact O-N 2.79Å; L37-I40 PolarHBondContact O-N 3.06Å; W38-I40 VanDerWaalsContact C-N 3.34Å; I40-D43 CarbonylContact O-C 3.5Å; I40-D43 PolarHBondContact O-N 2.97Å; I40-F44 VanDerWaalsContact O-CB 3.23Å; I40-F44 WeakPolarHBondContact O-CB 3.41Å; I40-F44 PolarHBondContact O-N 3.32Å |
| 41 | L | 43.9 | Very low | 45.7 | Very low | 65 Ų | 65 | 76.6 Ų | 76.6 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.7 | -37 | -178.7 | -146.8 | 141.2 | 0 | 0 | 0 | 111.4 | L33 L37 W38 F44 I45 | L33-L41 HydrophobicContact CD1-CD1 3.98Å; L33-L41 HydrophobicContact CD2-CD1 4.27Å; L37-L41 VanDerWaalsContact O-CB 3.3Å; L37-L41 WeakPolarHBondContact O-CB 3.23Å; L37-L41 PolarHBondContact O-N 3.12Å; W38-L41 PolarHBondContact O-N 3.25Å; L41-F44 WeakPolarHBondContact O-CB 3.48Å; L41-F44 PolarHBondContact O-N 3.09Å; L41-I45 HydrophobicContact CD2-CD1 3.85Å; L41-I45 HydrophobicContact CD2-CG1 4.42Å; L41-I45 VanDerWaalsContact O-CG1 3.29Å; L41-I45 WeakPolarHBondContact O-CG1 3.39Å; L41-I45 PolarHBondContact O-N 3.08Å |
| 42 | S | 45 | Very low | 44.9 | Very low | 42 Ų | 42 | 75.8 Ų | 75.8 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.5 | -49.5 | 169.4 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | W38 L39 F44 I45 C46 | W38-S42 WeakPolarHBondContact O-CB 3.32Å; W38-S42 PolarHBondContact O-N 2.78Å; L39-S42 PolarHBondContact O-N 3.2Å; S42-F44 VanDerWaalsContact C-N 3.27Å; S42-F44 PolarHBondContact O-N 3.01Å; S42-I45 PolarHBondContact O-N 3Å; S42-C46 PolarHBondContact O-N 3.36Å; S42-C46 PolarHBondContact O-SG 2.68Å |
| 43 | D | 44.5 | Very low | 44.7 | Very low | 37 Ų | 37 | 81.3 Ų | 81.3 | 20% | 0.198 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.8 | -29 | 177.6 | -139.5 | 42.9 | 0 | 0 | 0 | 111.1 | L39 I40 C46 K47 K195 | L39-D43 PolarHBondContact O-N 2.81Å; I40-D43 CarbonylContact O-C 3.5Å; I40-D43 PolarHBondContact O-N 2.97Å; D43-C46 PolarHBondContact O-N 2.92Å; D43-K47 WeakPolarHBondContact O-CB 3.43Å; D43-K47 WeakPolarHBondContact O-CG 3.43Å; D43-K47 PolarHBondContact O-N 3.22Å; D43-K195 IonicContact OD1-NZ 3.22Å; D43-K195 PolarHBondContact OD1-NZ 3.45Å; D43-K195 IonicContact OD2-NZ 3.15Å; D43-K195 PolarHBondContact OD2-NZ 3.09Å |
| 44 | F | 44 | Very low | 44.5 | Very low | 122 Ų | 122 | 87.9 Ų | 87.9 | 54% | 0.535 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.4 | -45.4 | 173.7 | -156.6 | -93.2 | 0 | 0 | 0 | 111 | I40 L41 S42 C46 K47 F48 | I40-F44 VanDerWaalsContact O-CB 3.23Å; I40-F44 WeakPolarHBondContact O-CB 3.41Å; I40-F44 PolarHBondContact O-N 3.32Å; L41-F44 WeakPolarHBondContact O-CB 3.48Å; L41-F44 PolarHBondContact O-N 3.09Å; S42-F44 VanDerWaalsContact C-N 3.27Å; S42-F44 PolarHBondContact O-N 3.01Å; F44-C46 VanDerWaalsContact C-N 3.33Å; F44-K47 PolarHBondContact O-N 3.19Å; F44-F48 AromaticContact CD1-CD2 3.83Å; F44-F48 HydrophobicContact CD1-CD2 3.83Å; F44-F48 AromaticContact CD1-CE2 3.84Å; F44-F48 HydrophobicContact CD1-CE2 3.84Å; F44-F48 AromaticContact CE1-CD2 3.74Å; F44-F48 HydrophobicContact CE1-CD2 3.74Å; F44-F48 AromaticContact CE1-CE2 3.26Å; F44-F48 HydrophobicContact CE1-CE2 3.26Å; F44-F48 HydrophobicContact CE1-CZ 4.23Å; F44-F48 HydrophobicContact CE2-CE2 4.42Å; F44-F48 HydrophobicContact CZ-CD2 4.4Å; F44-F48 AromaticContact CZ-CE2 3.6Å; F44-F48 HydrophobicContact CZ-CE2 3.6Å; F44-F48 HydrophobicContact CZ-CZ 4.46Å; F44-F48 WeakPolarHBondContact O-CD2 3.42Å; F44-F48 PolarHBondContact O-N 3.42Å; F44-F48 VanDerWaalsContact O-N 3.14Å |
| 45 | I | 43.4 | Very low | 44.1 | Very low | 68 Ų | 68 | 87.1 Ų | 87.1 | 35% | 0.349 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62 | -43 | 173 | -68 | 166.2 | 0 | 0 | 0 | 110 | L41 S42 K47 F48 | L41-I45 HydrophobicContact CD2-CD1 3.85Å; L41-I45 HydrophobicContact CD2-CG1 4.42Å; L41-I45 VanDerWaalsContact O-CG1 3.29Å; L41-I45 WeakPolarHBondContact O-CG1 3.39Å; L41-I45 PolarHBondContact O-N 3.08Å; S42-I45 PolarHBondContact O-N 3Å; I45-K47 PolarHBondContact O-N 2.96Å; I45-F48 PolarHBondContact O-N 2.83Å |
| 46 | C | 44.5 | Very low | 44 | Very low | 40 Ų | 40 | 91.3 Ų | 91.3 | 27% | 0.27 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 177.1 | -65.3 | 0 | 0 | 0 | 0 | 112.6 | S42 D43 F44 F48 I49 W143 | S42-C46 PolarHBondContact O-N 3.36Å; S42-C46 PolarHBondContact O-SG 2.68Å; D43-C46 PolarHBondContact O-N 2.92Å; F44-C46 VanDerWaalsContact C-N 3.33Å; C46-F48 VanDerWaalsContact C-N 3.34Å; C46-I49 PolarHBondContact O-N 3.5Å; C46-W143 WeakPolarHBondContact SG-CZ3 3.22Å |
| 47 | K | 42.9 | Very low | 43.9 | Very low | 160 Ų | 160 | 88.9 Ų | 88.9 | 70% | 0.696 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -72.3 | -23 | 178 | -81 | 179.9 | 179.7 | 176.2 | 0 | 113.8 | D43 F44 I45 I49 | D43-K47 WeakPolarHBondContact O-CB 3.43Å; D43-K47 WeakPolarHBondContact O-CG 3.43Å; D43-K47 PolarHBondContact O-N 3.22Å; F44-K47 PolarHBondContact O-N 3.19Å; I45-K47 PolarHBondContact O-N 2.96Å; K47-I49 VanDerWaalsContact C-N 3.26Å |
| 48 | F | 41 | Very low | 44.3 | Very low | 133 Ų | 133 | 89.2 Ų | 89.2 | 58% | 0.583 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -3 | 176.5 | -96.1 | -87.3 | 0 | 0 | 0 | 113.8 | F44 I45 C46 P50 | F44-F48 AromaticContact CD1-CD2 3.83Å; F44-F48 HydrophobicContact CD1-CD2 3.83Å; F44-F48 AromaticContact CD1-CE2 3.84Å; F44-F48 HydrophobicContact CD1-CE2 3.84Å; F44-F48 AromaticContact CE1-CD2 3.74Å; F44-F48 HydrophobicContact CE1-CD2 3.74Å; F44-F48 AromaticContact CE1-CE2 3.26Å; F44-F48 HydrophobicContact CE1-CE2 3.26Å; F44-F48 HydrophobicContact CE1-CZ 4.23Å; F44-F48 HydrophobicContact CE2-CE2 4.42Å; F44-F48 HydrophobicContact CZ-CD2 4.4Å; F44-F48 AromaticContact CZ-CE2 3.6Å; F44-F48 HydrophobicContact CZ-CE2 3.6Å; F44-F48 HydrophobicContact CZ-CZ 4.46Å; F44-F48 WeakPolarHBondContact O-CD2 3.42Å; F44-F48 PolarHBondContact O-N 3.42Å; F44-F48 VanDerWaalsContact O-N 3.14Å; I45-F48 PolarHBondContact O-N 2.83Å; C46-F48 VanDerWaalsContact C-N 3.34Å; F48-P50 WeakPolarHBondContact O-CD 3.31Å |
| 49 | I | 43.1 | Very low | 44.8 | Very low | 49 Ų | 49 | 86.2 Ų | 86.2 | 25% | 0.251 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -80.5 | 116.2 | 168.8 | -55.6 | 173.6 | 0 | 0 | 0 | 107.3 | C46 K47 S51 V95 W143 | C46-I49 PolarHBondContact O-N 3.5Å; K47-I49 VanDerWaalsContact C-N 3.26Å; I49-S51 PolarHBondContact O-N 2.9Å; I49-S51 VanDerWaalsContact O-N 3.14Å; I49-V95 HydrophobicContact CD1-CG1 3.79Å; I49-V95 HydrophobicContact CG1-CG1 4.33Å; I49-W143 HydrophobicContact CD1-CZ2 4.12Å |
| 50 | P | 39.2 | Very low | 45.4 | Very low | 56 Ų | 56 | 86 Ų | 86 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | trans | -58.9 | 120.7 | -173.5 | -9.5 | 15.8 | 0 | 0 | 0 | 111.2 | F48 G52 A55 A57 | F48-P50 WeakPolarHBondContact O-CD 3.31Å; P50-G52 PolarHBondContact O-N 2.79Å; P50-A55 HydrophobicContact CB-CB 4.33Å; P50-A57 HydrophobicContact CG-CB 4.01Å | ||
| 51 | S | 41.6 | Very low | 46.1 | Very low | 134 Ų | 134 | 81.8 Ų | 81.8 | 94% | 0.937 | 45% | 0.448 | S | S | * | . | trans | -71.6 | 25.8 | 178.9 | 51.6 | 0 | 0 | 0 | 0 | 114.6 | I49 | I49-S51 PolarHBondContact O-N 2.9Å; I49-S51 VanDerWaalsContact O-N 3.14Å | ||
| 52 | G | 39.3 | Very low | 47 | Very low | 41 Ų | 41 | 81.1 Ų | 81.1 | 42% | 0.423 | 44% | 0.443 | S | S | . | . | trans | -97.1 | 125.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P50 N54 A55 | P50-G52 PolarHBondContact O-N 2.79Å; G52-N54 PolarHBondContact O-N 3.48Å; G52-A55 PolarHBondContact O-N 2.93Å | ||
| 53 | K | 46.9 | Very low | 47.8 | Very low | 216 Ų | 216 | 81.2 Ų | 81.2 | 94% | 0.939 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -13 | 177.6 | -80 | -177.6 | 172.2 | -179.5 | 0 | 115.7 | ||
| 54 | N | 42.8 | Very low | 48.8 | Very low | 162 Ų | 162 | 84.5 Ų | 84.5 | 87% | 0.866 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123 | 15.7 | -174.8 | -71.7 | -3.8 | 0 | 0 | 0 | 115 | G52 | G52-N54 PolarHBondContact O-N 3.48Š|
| 55 | A | 42.7 | Very low | 49.9 | Very low | 51 Ų | 51 | 79 Ų | 79 | 42% | 0.421 | 43% | 0.431 | S | S | . | . | trans | -108.5 | 98.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P50 G52 A57 | P50-A55 HydrophobicContact CB-CB 4.33Å; G52-A55 PolarHBondContact O-N 2.93Å; A55-A57 PolarHBondContact O-N 3.18Å | ||
| 56 | V | 45.6 | Very low | 51 | Low | 119 Ų | 119 | 83.3 Ų | 83.3 | 72% | 0.721 | 44% | 0.444 | S | S | * | . | trans | -73.9 | 55.4 | 170.8 | -167 | 0 | 0 | 0 | 0 | 110.1 | K58 | V56-K58 PolarHBondContact O-N 2.96Š| ||
| 57 | A | 49.3 | Very low | 51.9 | Low | 23 Ų | 23 | 83.1 Ų | 83.1 | 19% | 0.19 | 44% | 0.439 | C | S | . | . | trans | -81 | 103 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | P50 A55 | P50-A57 HydrophobicContact CG-CB 4.01Å; A55-A57 PolarHBondContact O-N 3.18Å | ||
| 58 | K | 53.2 | Low | 52.9 | Low | 89 Ų | 89 | 75.9 Ų | 75.9 | 39% | 0.387 | 41% | 0.408 | S | S | . | . | trans | -89.1 | 120.7 | 166.8 | -167.1 | 179.7 | -177.6 | -164.8 | 0 | 108.3 | V56 D94 D96 | V56-K58 PolarHBondContact O-N 2.96Å; K58-D94 WeakPolarHBondContact CE-OD2 3.45Å; K58-D94 IonicContact NZ-OD2 2.93Å; K58-D94 PolarHBondContact NZ-OD2 3.29Å; K58-D96 HydrophobicContact CG-CB 4.47Å | ||
| 59 | L | 55.4 | Low | 54.1 | Low | 61 Ų | 61 | 70 Ų | 70 | 32% | 0.319 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 111.2 | 172.1 | -179.1 | 80.4 | 0 | 0 | 0 | 108.3 | V61 V95 | L59-V61 HydrophobicContact CD2-CG2 3.9Å; L59-V61 HydrophobicContact CG-CG2 3.93Å; L59-V95 HydrophobicContact CB-CB 4.3Å; L59-V95 PolarHBondContact N-O 2.88Å; L59-V95 PolarHBondContact O-N 2.77Å |
| 60 | C | 59.7 | Low | 55 | Low | 33 Ų | 33 | 69.2 Ų | 69.2 | 22% | 0.223 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123.4 | 169.1 | -67.4 | 0 | 0 | 0 | 0 | 109.1 | A22 L93 D94 | A22-C60 CarbonylContact C-O 3.51Å; A22-C60 PolarHBondContact N-O 3.45Å; C60-L93 CarbonylContact C-O 3.16Å; C60-L93 WeakPolarHBondContact CA-O 3.3Å; C60-D94 PolarHBondContact SG-OD1 2.78Å |
| 61 | V | 59.3 | Low | 56.1 | Low | 16 Ų | 16 | 68.7 Ų | 68.7 | 10% | 0.097 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 110.2 | 173.8 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | A22 L24 L59 L63 H92 L93 | A22-V61 WeakPolarHBondContact O-CA 3.23Å; L24-V61 HydrophobicContact CB-CG1 3.88Å; L24-V61 HydrophobicContact CD1-CG1 3.73Å; L24-V61 HydrophobicContact CG-CG1 4.38Å; L59-V61 HydrophobicContact CD2-CG2 3.9Å; L59-V61 HydrophobicContact CG-CG2 3.93Å; V61-L63 HydrophobicContact CG1-CD2 4.06Å; V61-L63 HydrophobicContact CG1-CG 4.04Å; V61-H92 CarbonylContact O-C 3.52Å; V61-L93 HydrophobicContact CB-CB 4.12Å; V61-L93 HydrophobicContact CB-CD1 4.47Å; V61-L93 PolarHBondContact N-O 3.21Å; V61-L93 PolarHBondContact O-N 2.8Å |
| 62 | E | 62.9 | Low | 57 | Low | 52 Ų | 52 | 63 Ų | 63 | 24% | 0.243 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 119.7 | 164.7 | -82.3 | -173.2 | 163.8 | 0 | 0 | 110.2 | R23 L24 H92 | R23-E62 HydrophobicContact CG-CB 3.91Å; R23-E62 IonicContact CZ-OE2 3.79Å; R23-E62 IonicContact NE-OE2 3.1Å; R23-E62 PolarHBondContact NE-OE2 2.87Å; R23-E62 IonicContact NH2-OE1 3.17Å; R23-E62 IonicContact NH2-OE2 2.9Å; R23-E62 PolarHBondContact NH2-OE2 2.92Å; L24-E62 CarbonylContact C-O 3.48Å; L24-E62 WeakPolarHBondContact CA-O 3.46Å; L24-E62 PolarHBondContact N-O 2.88Å; E62-H92 VanDerWaalsContact CD-CE1 3.42Å; E62-H92 WeakPolarHBondContact CG-CE1 3.49Å; E62-H92 WeakPolarHBondContact CG-ND1 3.31Å; E62-H92 IonicContact OE1-CE1 2.82Å; E62-H92 PolarHBondContact OE1-CE1 3.06Å; E62-H92 IonicContact OE1-ND1 2.8Å; E62-H92 PolarHBondContact OE1-ND1 2.7Å |
| 63 | L | 63.5 | Low | 57.7 | Low | 43 Ų | 43 | 62.8 Ų | 62.8 | 23% | 0.225 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 103.5 | 171.8 | -67.1 | 176 | 0 | 0 | 0 | 109.2 | L24 L26 V61 A90 V91 L93 | L24-L63 HydrophobicContact CB-CD2 4.08Å; L26-L63 HydrophobicContact CD1-CD2 3.59Å; L26-L63 HydrophobicContact CG-CD2 4.09Å; V61-L63 HydrophobicContact CG1-CD2 4.06Å; V61-L63 HydrophobicContact CG1-CG 4.04Å; L63-A90 CarbonylContact O-C 3.55Å; L63-A90 WeakPolarHBondContact O-CA 3.42Å; L63-V91 HydrophobicContact CB-CB 4.33Å; L63-V91 PolarHBondContact N-O 2.85Å; L63-V91 PolarHBondContact O-N 3.08Å; L63-L93 HydrophobicContact CD1-CD1 3.49Å; L63-L93 VanDerWaalsContact CD1-CD1 3.49Å; L63-L93 HydrophobicContact CD1-CG 4.14Å; L63-L93 HydrophobicContact CG-CD1 4.26Å |
| 64 | Q | 64.8 | Low | 58 | Low | 106 Ų | 106 | 53.4 Ų | 53.4 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 114 | 161.9 | -81.2 | -176.7 | -24.9 | 0 | 0 | 108.8 | L26 A90 | L26-Q64 CarbonylContact C-O 3.41Å; L26-Q64 PolarHBondContact N-O 2.75Å; Q64-A90 HydrophobicContact CG-CB 4.05Å |
| 65 | S | 66 | Low | 58.2 | Low | 8 Ų | 8 | 47.3 Ų | 47.3 | 6% | 0.056 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 127 | 174.4 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | L26 F67 D88 C89 | L26-S65 VanDerWaalsContact O-CA 3.25Å; L26-S65 WeakPolarHBondContact O-CA 3.45Å; L26-S65 WeakPolarHBondContact O-CB 3.37Å; L26-S65 PolarHBondContact O-OG 2.8Å; S65-F67 PolarHBondContact O-N 2.88Å; S65-F67 PolarHBondContact OG-N 2.99Å; S65-F67 VanDerWaalsContact OG-N 3.14Å; S65-F67 PolarHBondContact OG-O 3.4Å; S65-D88 CarbonylContact O-C 3.59Å; S65-D88 WeakPolarHBondContact O-CA 3.42Å; S65-C89 PolarHBondContact N-O 2.97Å; S65-C89 PolarHBondContact O-N 2.81Å; S65-C89 VanDerWaalsContact O-O 3.13Å |
| 66 | Y | 67 | Low | 58.5 | Low | 157 Ų | 157 | 50.7 Ų | 50.7 | 62% | 0.616 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | -28.3 | 170 | -76.7 | -86.3 | 0 | 0 | 0 | 111.2 | H27 R87 D88 | H27-Y66 AromaticContact ND1-CD2 3.79Å; H27-Y66 AromaticContact ND1-CE2 3.78Å; Y66-R87 WeakPolarHBondContact O-CA 3.38Å; Y66-D88 VanDerWaalsContact CD1-OD1 3.29Å; Y66-D88 WeakPolarHBondContact CD1-OD1 3.37Å; Y66-D88 PolarHBondContact O-N 3.25Å |
| 67 | F | 63.1 | Low | 58.5 | Low | 37 Ų | 37 | 47.7 Ų | 47.7 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 124 | -176.1 | -170.2 | -91.1 | 0 | 0 | 0 | 112 | Y28 V29 S65 E69 L86 R87 | Y28-F67 HydrophobicContact CD2-CB 4.2Å; Y28-F67 AromaticContact CD2-CD1 3.88Å; Y28-F67 HydrophobicContact CD2-CD1 3.88Å; Y28-F67 HydrophobicContact CD2-CG 4.47Å; Y28-F67 AromaticContact CE2-CD1 3.4Å; Y28-F67 HydrophobicContact CE2-CD1 3.4Å; Y28-F67 AromaticContact CE2-CE1 3.98Å; Y28-F67 HydrophobicContact CE2-CE1 3.98Å; Y28-F67 HydrophobicContact CE2-CG 4.3Å; V29-F67 PolarHBondContact N-O 3.07Å; S65-F67 PolarHBondContact O-N 2.88Å; S65-F67 PolarHBondContact OG-N 2.99Å; S65-F67 VanDerWaalsContact OG-N 3.14Å; S65-F67 PolarHBondContact OG-O 3.4Å; F67-E69 HydrophobicContact CE1-CB 4.1Å; F67-E69 HydrophobicContact CE1-CG 3.56Å; F67-E69 HydrophobicContact CZ-CG 3.76Å; F67-E69 WeakPolarHBondContact CZ-OE1 3.26Å; F67-L86 CarbonylContact C-O 3.52Å; F67-L86 WeakPolarHBondContact CA-O 3.47Å; F67-R87 HydrophobicContact CD2-CG 3.53Å; F67-R87 HydrophobicContact CE2-CG 4.03Å |
| 68 | A | 65.5 | Low | 58.5 | Low | 7 Ų | 7 | 52.6 Ų | 52.6 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V29 R85 L86 | V29-A68 HydrophobicContact CB-CB 4.18Å; V29-A68 CarbonylContact O-C 3.47Å; V29-A68 WeakPolarHBondContact O-CA 3.48Å; A68-R85 CarbonylContact O-C 3.51Å; A68-R85 VanDerWaalsContact O-CA 3.26Å; A68-R85 WeakPolarHBondContact O-CA 3.34Å; A68-L86 HydrophobicContact CB-CB 4.22Å; A68-L86 PolarHBondContact N-O 2.76Å; A68-L86 PolarHBondContact O-N 2.78Å |
| 69 | E | 66 | Low | 58.2 | Low | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.4 | 175.6 | -105.1 | -177.3 | -171.3 | 0 | 0 | 109 | V29 R30 L31 F67 I83 L84 R85 | V29-E69 PolarHBondContact O-N 3.43Å; R30-E69 CarbonylContact C-O 3.34Å; R30-E69 WeakPolarHBondContact CA-O 3.47Å; R30-E69 HydrophobicContact CG-CB 3.95Å; R30-E69 IonicContact CZ-OE2 3.37Å; R30-E69 IonicContact NE-OE2 3.07Å; R30-E69 PolarHBondContact NE-OE2 3.34Å; R30-E69 IonicContact NH2-OE2 2.7Å; R30-E69 PolarHBondContact NH2-OE2 3.29Å; L31-E69 PolarHBondContact N-O 2.96Å; F67-E69 HydrophobicContact CE1-CB 4.1Å; F67-E69 HydrophobicContact CE1-CG 3.56Å; F67-E69 HydrophobicContact CZ-CG 3.76Å; F67-E69 WeakPolarHBondContact CZ-OE1 3.26Å; E69-I83 HydrophobicContact CG-CG2 3.8Å; E69-L84 CarbonylContact C-O 3.33Å; E69-L84 WeakPolarHBondContact CA-O 3.35Å; E69-R85 HydrophobicContact CG-CB 4.26Å; E69-R85 HydrophobicContact CG-CG 3.76Å; E69-R85 IonicContact OE1-CZ 3.02Å; E69-R85 IonicContact OE1-NE 3.18Å; E69-R85 PolarHBondContact OE1-NE 2.84Å; E69-R85 IonicContact OE1-NH2 2.75Å; E69-R85 PolarHBondContact OE1-NH2 2.96Å |
| 70 | I | 62.2 | Low | 58.1 | Low | 33 Ų | 33 | 56.9 Ų | 56.9 | 17% | 0.169 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 119.8 | 178.8 | -58.8 | 169.9 | 0 | 0 | 0 | 107.4 | L31 L84 | L31-I70 HydrophobicContact CB-CG1 4.45Å; I70-L84 HydrophobicContact CB-CB 4.28Å; I70-L84 HydrophobicContact CB-CD2 4.22Å; I70-L84 HydrophobicContact CD1-CD2 3.94Å; I70-L84 HydrophobicContact CG1-CD2 4.44Å; I70-L84 PolarHBondContact N-O 2.81Å; I70-L84 WeakPolarHBondContact O-CB 3.49Å; I70-L84 PolarHBondContact O-N 3.3Å |
| 71 | E | 61.9 | Low | 58 | Low | 44 Ų | 44 | 55.8 Ų | 55.8 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 125.1 | 176 | -164 | 163.2 | -160.8 | 0 | 0 | 109.4 | L31 S81 R114 | L31-E71 PolarHBondContact O-N 2.94Å; E71-S81 WeakPolarHBondContact CG-OG 3.27Å; E71-S81 PolarHBondContact OE1-OG 3.33Å; E71-R114 IonicContact OE1-CZ 3.14Å; E71-R114 IonicContact OE1-NH1 3.39Å; E71-R114 PolarHBondContact OE1-NH1 3.33Å; E71-R114 IonicContact OE2-NH1 2.68Å |
| 72 | V | 60.4 | Low | 58.1 | Low | 15 Ų | 15 | 55 Ų | 55 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 96.6 | -174.9 | -174.6 | 0 | 0 | 0 | 0 | 107.4 | S81 G82 L84 L111 F180 | V72-S81 CarbonylContact O-C 3.56Å; V72-S81 WeakPolarHBondContact O-CA 3.28Å; V72-G82 VanDerWaalsContact CA-O 3.28Å; V72-G82 WeakPolarHBondContact CA-O 3.35Å; V72-G82 WeakPolarHBondContact CB-O 3.4Å; V72-G82 WeakPolarHBondContact CG2-O 3.3Å; V72-G82 PolarHBondContact N-O 3.25Å; V72-G82 PolarHBondContact O-N 3.06Å; V72-L84 HydrophobicContact CG2-CB 3.88Å; V72-L111 HydrophobicContact CB-CD1 4.45Å; V72-L111 HydrophobicContact CG2-CD1 4.2Å; V72-F180 HydrophobicContact CG1-CD1 3.78Å; V72-F180 HydrophobicContact CG1-CD2 3.45Å; V72-F180 VanDerWaalsContact CG1-CD2 3.45Å; V72-F180 HydrophobicContact CG1-CE1 3.63Å; V72-F180 HydrophobicContact CG1-CE2 3.31Å; V72-F180 HydrophobicContact CG1-CG 3.67Å; V72-F180 HydrophobicContact CG1-CZ 3.37Å |
| 73 | P | 54.7 | Low | 58.2 | Low | 36 Ų | 36 | 53.5 Ų | 53.5 | 23% | 0.234 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 138.2 | -178.5 | 10.3 | -4.6 | 0 | 0 | 0 | 111 | P35 F180 | P35-P73 HydrophobicContact CB-CG 4.07Å; P35-P73 HydrophobicContact CG-CG 3.65Å; P73-F180 WeakPolarHBondContact O-CD2 3.36Å |
| 74 | Y | 52.1 | Low | 58.2 | Low | 19 Ų | 19 | 52.9 Ų | 52.9 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | trans | -80.7 | 150.9 | 173.9 | -56.7 | -51.7 | 0 | 0 | 0 | 112.1 | N80 G82 D113 N176 | Y74-N80 HydrophobicContact CD2-CB 3.93Å; Y74-N80 VanDerWaalsContact CD2-O 3.22Å; Y74-N80 WeakPolarHBondContact CD2-O 3.29Å; Y74-N80 HydrophobicContact CE2-CB 4.24Å; Y74-N80 PolarHBondContact N-O 3.27Å; Y74-G82 WeakPolarHBondContact OH-CA 3.37Å; Y74-D113 HydrophobicContact CE2-CB 4.47Å; Y74-D113 VanDerWaalsContact CE2-OD1 3.23Å; Y74-D113 WeakPolarHBondContact CE2-OD1 3.25Å; Y74-D113 WeakPolarHBondContact CE2-OD2 3.44Å; Y74-D113 VanDerWaalsContact OH-CG 3.22Å; Y74-D113 PolarHBondContact OH-OD2 3.4Å; Y74-N176 HydrophobicContact CD1-CB 3.7Å; Y74-N176 HydrophobicContact CE1-CB 3.42Å; Y74-N176 VanDerWaalsContact CE1-CB 3.42Å; Y74-N176 HydrophobicContact CG-CB 4.41Å; Y74-N176 PolarHBondContact OH-ND2 2.74Å | ||
| 75 | A | 47.6 | Very low | 58.4 | Low | 34 Ų | 34 | 50.5 Ų | 50.5 | 28% | 0.281 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -65.6 | -42.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L183 | A75-L183 HydrophobicContact CB-CB 3.57Å; A75-L183 HydrophobicContact CB-CD1 3.37Å; A75-L183 HydrophobicContact CB-CD2 4.31Å; A75-L183 HydrophobicContact CB-CG 3.89Å |
| 76 | T | 47.6 | Very low | 58.5 | Low | 122 Ų | 122 | 51.7 Ų | 51.7 | 75% | 0.748 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -100.9 | -8.3 | -170.3 | 47.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 77 | D | 46.1 | Very low | 58.7 | Low | 57 Ų | 57 | 50 Ų | 50 | 31% | 0.305 | 26% | 0.256 | S | S | . | . | trans | -135.9 | 91.8 | -178.1 | -165.9 | -13.7 | 0 | 0 | 0 | 110 | R79 N80 | D77-R79 PolarHBondContact O-N 2.91Å; D77-R79 VanDerWaalsContact O-N 3.12Å; D77-R79 WeakPolarHBondContact OD1-CB 3.46Å; D77-R79 PolarHBondContact OD1-N 3.05Å; D77-R79 VanDerWaalsContact OD1-N 3.13Å; D77-N80 HydrophobicContact CB-CB 4.23Å; D77-N80 PolarHBondContact O-N 3.43Å; D77-N80 VanDerWaalsContact O-N 3.15Å; D77-N80 PolarHBondContact OD1-N 3.11Å; D77-N80 PolarHBondContact OD2-ND2 3.28Å | ||
| 78 | S | 49.9 | Very low | 59.2 | Low | 126 Ų | 126 | 51.6 Ų | 51.6 | 88% | 0.881 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.5 | 178.9 | 59.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 79 | R | 47.1 | Very low | 59.5 | Low | 218 Ų | 218 | 51.9 Ų | 51.9 | 82% | 0.823 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -26.7 | 177.5 | -56.7 | -174.1 | -171.1 | -174.8 | 4.6 | 112.1 | D77 | D77-R79 PolarHBondContact O-N 2.91Å; D77-R79 VanDerWaalsContact O-N 3.12Å; D77-R79 WeakPolarHBondContact OD1-CB 3.46Å; D77-R79 PolarHBondContact OD1-N 3.05Å; D77-R79 VanDerWaalsContact OD1-N 3.13Å |
| 80 | N | 52.6 | Low | 60 | Low | 22 Ų | 22 | 53 Ų | 53 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | trans | -107.1 | 131.6 | -176.8 | -70.6 | -27 | 0 | 0 | 0 | 111 | Y74 D77 R114 | Y74-N80 HydrophobicContact CD2-CB 3.93Å; Y74-N80 VanDerWaalsContact CD2-O 3.22Å; Y74-N80 WeakPolarHBondContact CD2-O 3.29Å; Y74-N80 HydrophobicContact CE2-CB 4.24Å; Y74-N80 PolarHBondContact N-O 3.27Å; D77-N80 HydrophobicContact CB-CB 4.23Å; D77-N80 PolarHBondContact O-N 3.43Å; D77-N80 VanDerWaalsContact O-N 3.15Å; D77-N80 PolarHBondContact OD1-N 3.11Å; D77-N80 PolarHBondContact OD2-ND2 3.28Å; N80-R114 PolarHBondContact OD1-O 3.11Å | ||
| 81 | S | 57.3 | Low | 60.6 | Low | 10 Ų | 10 | 52.2 Ų | 52.2 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137.2 | 174.8 | 59.2 | 0 | 0 | 0 | 0 | 109.1 | E71 V72 R114 | E71-S81 WeakPolarHBondContact CG-OG 3.27Å; E71-S81 PolarHBondContact OE1-OG 3.33Å; V72-S81 CarbonylContact O-C 3.56Å; V72-S81 WeakPolarHBondContact O-CA 3.28Å; S81-R114 WeakPolarHBondContact O-CB 3.47Å; S81-R114 PolarHBondContact O-N 3.02Å |
| 82 | G | 62.1 | Low | 61.3 | Low | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 117.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V72 Y74 L84 R112 | V72-G82 VanDerWaalsContact CA-O 3.28Å; V72-G82 WeakPolarHBondContact CA-O 3.35Å; V72-G82 WeakPolarHBondContact CB-O 3.4Å; V72-G82 WeakPolarHBondContact CG2-O 3.3Å; V72-G82 PolarHBondContact N-O 3.25Å; V72-G82 PolarHBondContact O-N 3.06Å; Y74-G82 WeakPolarHBondContact OH-CA 3.37Å; G82-L84 PolarHBondContact O-N 3.36Å; G82-R112 CarbonylContact C-O 3.57Å; G82-R112 WeakPolarHBondContact CA-O 3.33Å |
| 83 | I | 64.9 | Low | 61.7 | Low | 20 Ų | 20 | 54 Ų | 54 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 107.9 | 169.3 | -56.5 | 172.7 | 0 | 0 | 0 | 108.5 | E69 R85 L111 R112 R114 | E69-I83 HydrophobicContact CG-CG2 3.8Å; I83-R85 HydrophobicContact CG2-CG 3.92Å; I83-L111 WeakPolarHBondContact O-CA 3.33Å; I83-R112 HydrophobicContact CB-CB 4.38Å; I83-R112 PolarHBondContact N-O 3.19Å; I83-R112 PolarHBondContact O-N 3.2Å; I83-R114 HydrophobicContact CD1-CB 4.33Å; I83-R114 HydrophobicContact CD1-CG 4.07Å; I83-R114 HydrophobicContact CG1-CB 4.49Å |
| 84 | L | 63.6 | Low | 62.5 | Low | 30 Ų | 30 | 53.8 Ų | 53.8 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 112 | 170 | -173.1 | 126.6 | 0 | 0 | 0 | 109.6 | E69 I70 V72 G82 L86 F109 S110 L111 | E69-L84 CarbonylContact C-O 3.33Å; E69-L84 WeakPolarHBondContact CA-O 3.35Å; I70-L84 HydrophobicContact CB-CB 4.28Å; I70-L84 HydrophobicContact CB-CD2 4.22Å; I70-L84 HydrophobicContact CD1-CD2 3.94Å; I70-L84 HydrophobicContact CG1-CD2 4.44Å; I70-L84 PolarHBondContact N-O 2.81Å; I70-L84 WeakPolarHBondContact O-CB 3.49Å; I70-L84 PolarHBondContact O-N 3.3Å; V72-L84 HydrophobicContact CG2-CB 3.88Å; G82-L84 PolarHBondContact O-N 3.36Å; L84-L86 HydrophobicContact CD2-CD1 4.25Å; L84-L86 HydrophobicContact CD2-CD2 4.18Å; L84-L86 HydrophobicContact CD2-CG 4.03Å; L84-F109 HydrophobicContact CD1-CE1 4.29Å; L84-F109 HydrophobicContact CD1-CE2 3.54Å; L84-F109 HydrophobicContact CD1-CZ 3.33Å; L84-F109 HydrophobicContact CD2-CE2 4.29Å; L84-F109 HydrophobicContact CG-CE2 4.04Å; L84-F109 HydrophobicContact CG-CZ 4.17Å; L84-S110 CarbonylContact C-O 3.43Å; L84-S110 WeakPolarHBondContact CA-O 3.23Å; L84-L111 HydrophobicContact CB-CD1 3.85Å; L84-L111 HydrophobicContact CD1-CD1 4.13Å |
| 85 | R | 68.6 | Low | 63.2 | Low | 56 Ų | 56 | 53.3 Ų | 53.3 | 21% | 0.211 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.2 | 175.6 | -37.7 | -179.9 | 146.4 | 157.7 | -5.3 | 110.6 | A68 E69 I83 F109 S110 R112 | A68-R85 CarbonylContact O-C 3.51Å; A68-R85 VanDerWaalsContact O-CA 3.26Å; A68-R85 WeakPolarHBondContact O-CA 3.34Å; E69-R85 HydrophobicContact CG-CB 4.26Å; E69-R85 HydrophobicContact CG-CG 3.76Å; E69-R85 IonicContact OE1-CZ 3.02Å; E69-R85 IonicContact OE1-NE 3.18Å; E69-R85 PolarHBondContact OE1-NE 2.84Å; E69-R85 IonicContact OE1-NH2 2.75Å; E69-R85 PolarHBondContact OE1-NH2 2.96Å; I83-R85 HydrophobicContact CG2-CG 3.92Å; R85-F109 CarbonylContact O-C 3.52Å; R85-F109 WeakPolarHBondContact O-CA 3.11Å; R85-S110 WeakPolarHBondContact CB-OG 3.37Å; R85-S110 WeakPolarHBondContact CG-OG 3.33Å; R85-S110 PolarHBondContact N-O 3.07Å; R85-S110 PolarHBondContact O-N 3.11Å; R85-R112 VanDerWaalsContact NH1-CD 3.29Å; R85-R112 VanDerWaalsContact NH1-NH1 3.14Å |
| 86 | L | 68.9 | Low | 64.1 | Low | 32 Ų | 32 | 53.8 Ų | 53.8 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.5 | 171 | -54.8 | 170.7 | 0 | 0 | 0 | 107.5 | F67 A68 L84 V106 K108 F109 | F67-L86 CarbonylContact C-O 3.52Å; F67-L86 WeakPolarHBondContact CA-O 3.47Å; A68-L86 HydrophobicContact CB-CB 4.22Å; A68-L86 PolarHBondContact N-O 2.76Å; A68-L86 PolarHBondContact O-N 2.78Å; L84-L86 HydrophobicContact CD2-CD1 4.25Å; L84-L86 HydrophobicContact CD2-CD2 4.18Å; L84-L86 HydrophobicContact CD2-CG 4.03Å; L86-V106 HydrophobicContact CD2-CG1 4.32Å; L86-K108 CarbonylContact C-O 3.46Å; L86-K108 WeakPolarHBondContact CA-O 3.5Å; L86-F109 HydrophobicContact CD2-CB 4.44Å; L86-F109 HydrophobicContact CD2-CD2 3.37Å; L86-F109 HydrophobicContact CD2-CE2 4Å; L86-F109 HydrophobicContact CD2-CG 4.29Å |
| 87 | R | 70.9 | Confident | 65 | Low | 123 Ų | 123 | 56.5 Ų | 56.5 | 46% | 0.464 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 140.6 | 174.7 | -94 | -178.7 | -171.9 | 178.7 | 2.9 | 110.6 | Y66 F67 C89 W107 K108 | Y66-R87 WeakPolarHBondContact O-CA 3.38Å; F67-R87 HydrophobicContact CD2-CG 3.53Å; F67-R87 HydrophobicContact CE2-CG 4.03Å; R87-C89 VanDerWaalsContact C-N 3.35Å; R87-C89 PolarHBondContact O-N 3.25Å; R87-W107 PolarHBondContact O-N 2.88Å; R87-K108 HydrophobicContact CB-CB 4.08Å; R87-K108 PolarHBondContact N-O 3.21Å; R87-K108 PolarHBondContact O-N 3.37Å |
| 88 | D | 73.6 | Confident | 66.1 | Low | 70 Ų | 70 | 55.4 Ų | 55.4 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.4 | 57.1 | -179 | -56.1 | -49.1 | 0 | 0 | 0 | 111.7 | S65 Y66 W107 | S65-D88 CarbonylContact O-C 3.59Å; S65-D88 WeakPolarHBondContact O-CA 3.42Å; Y66-D88 VanDerWaalsContact CD1-OD1 3.29Å; Y66-D88 WeakPolarHBondContact CD1-OD1 3.37Å; Y66-D88 PolarHBondContact O-N 3.25Å; D88-W107 HydrophobicContact CB-CB 3.99Å; D88-W107 HydrophobicContact CB-CG 3.88Å |
| 89 | C | 72 | Confident | 67.1 | Low | 12 Ų | 12 | 49.4 Ų | 49.4 | 8% | 0.081 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 131.4 | 177.5 | 70.9 | 0 | 0 | 0 | 0 | 111.3 | S65 R87 V91 T105 V106 | S65-C89 PolarHBondContact N-O 2.97Å; S65-C89 PolarHBondContact O-N 2.81Å; S65-C89 VanDerWaalsContact O-O 3.13Å; R87-C89 VanDerWaalsContact C-N 3.35Å; R87-C89 PolarHBondContact O-N 3.25Å; C89-V91 HydrophobicContact CB-CG2 4.16Å; C89-T105 CarbonylContact C-O 3.56Å; C89-T105 WeakPolarHBondContact CA-O 3.47Å; C89-V106 HydrophobicContact CB-CG2 3.79Å |
| 90 | A | 76.3 | Confident | 68.2 | Low | 34 Ų | 34 | 41.3 Ų | 41.3 | 28% | 0.281 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 106.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | L63 Q64 G104 T105 | L63-A90 CarbonylContact O-C 3.55Å; L63-A90 WeakPolarHBondContact O-CA 3.42Å; Q64-A90 HydrophobicContact CG-CB 4.05Å; A90-G104 CarbonylContact O-C 3.58Å; A90-G104 WeakPolarHBondContact O-CA 3.44Å; A90-T105 PolarHBondContact N-O 2.75Å; A90-T105 PolarHBondContact O-N 3.32Å |
| 91 | V | 74.1 | Confident | 69.4 | Low | 17 Ų | 17 | 41 Ų | 41 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.2 | -171.8 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | L63 C89 L93 A102 N103 F137 | L63-V91 HydrophobicContact CB-CB 4.33Å; L63-V91 PolarHBondContact N-O 2.85Å; L63-V91 PolarHBondContact O-N 3.08Å; C89-V91 HydrophobicContact CB-CG2 4.16Å; V91-L93 HydrophobicContact CG1-CD2 3.65Å; V91-L93 HydrophobicContact CG1-CG 4.21Å; V91-A102 HydrophobicContact CG1-CB 4.28Å; V91-N103 CarbonylContact C-O 3.55Å; V91-F137 HydrophobicContact CB-CZ 4.25Å; V91-F137 HydrophobicContact CG1-CE2 4.3Å; V91-F137 HydrophobicContact CG1-CZ 3.69Å; V91-F137 HydrophobicContact CG2-CE1 3.91Å; V91-F137 HydrophobicContact CG2-CZ 3.6Å |
| 92 | H | 76 | Confident | 70.2 | Confident | 65 Ų | 65 | 40.8 Ų | 40.8 | 30% | 0.301 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 112 | 170.6 | -145 | 105.7 | 0 | 0 | 0 | 107.8 | V61 E62 D94 A102 N103 | V61-H92 CarbonylContact O-C 3.52Å; E62-H92 VanDerWaalsContact CD-CE1 3.42Å; E62-H92 WeakPolarHBondContact CG-CE1 3.49Å; E62-H92 WeakPolarHBondContact CG-ND1 3.31Å; E62-H92 IonicContact OE1-CE1 2.82Å; E62-H92 PolarHBondContact OE1-CE1 3.06Å; E62-H92 IonicContact OE1-ND1 2.8Å; E62-H92 PolarHBondContact OE1-ND1 2.7Å; H92-D94 IonicContact CD2-OD1 3.91Å; H92-D94 PolarHBondContact CD2-OD1 2.98Å; H92-D94 IonicContact NE2-OD1 3.74Å; H92-A102 WeakPolarHBondContact O-CA 3.46Å; H92-N103 WeakPolarHBondContact CA-O 3.33Å; H92-N103 WeakPolarHBondContact CB-O 3.34Å; H92-N103 PolarHBondContact N-O 3.03Å; H92-N103 PolarHBondContact O-N 2.84Å |
| 93 | L | 69.1 | Low | 71.1 | Confident | 32 Ų | 32 | 43 Ų | 43 | 17% | 0.168 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 118.5 | 174.9 | -53.6 | 175.1 | 0 | 0 | 0 | 109 | C60 V61 L63 V91 F100 C101 A102 | C60-L93 CarbonylContact C-O 3.16Å; C60-L93 WeakPolarHBondContact CA-O 3.3Å; V61-L93 HydrophobicContact CB-CB 4.12Å; V61-L93 HydrophobicContact CB-CD1 4.47Å; V61-L93 PolarHBondContact N-O 3.21Å; V61-L93 PolarHBondContact O-N 2.8Å; L63-L93 HydrophobicContact CD1-CD1 3.49Å; L63-L93 VanDerWaalsContact CD1-CD1 3.49Å; L63-L93 HydrophobicContact CD1-CG 4.14Å; L63-L93 HydrophobicContact CG-CD1 4.26Å; V91-L93 HydrophobicContact CG1-CD2 3.65Å; V91-L93 HydrophobicContact CG1-CG 4.21Å; L93-F100 HydrophobicContact CD2-CE2 4Å; L93-F100 HydrophobicContact CD2-CZ 3.7Å; L93-C101 CarbonylContact C-O 3.36Å; L93-C101 VanDerWaalsContact CA-O 3.27Å; L93-C101 WeakPolarHBondContact CA-O 3.41Å; L93-A102 HydrophobicContact CD2-CB 3.34Å |
| 94 | D | 71.5 | Confident | 72 | Confident | 30 Ų | 30 | 42.8 Ų | 42.8 | 16% | 0.16 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 118.3 | 171.3 | -84.2 | 4 | 0 | 0 | 0 | 108.4 | K58 C60 H92 C101 | K58-D94 WeakPolarHBondContact CE-OD2 3.45Å; K58-D94 IonicContact NZ-OD2 2.93Å; K58-D94 PolarHBondContact NZ-OD2 3.29Å; C60-D94 PolarHBondContact SG-OD1 2.78Å; H92-D94 IonicContact CD2-OD1 3.91Å; H92-D94 PolarHBondContact CD2-OD1 2.98Å; H92-D94 IonicContact NE2-OD1 3.74Å; D94-C101 HydrophobicContact CB-CB 4.1Å; D94-C101 PolarHBondContact N-O 2.87Å; D94-C101 PolarHBondContact O-N 2.88Å |
| 95 | V | 67.4 | Low | 73 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.3 | 174.4 | -171.4 | 0 | 0 | 0 | 0 | 109 | I49 L59 F100 W143 | I49-V95 HydrophobicContact CD1-CG1 3.79Å; I49-V95 HydrophobicContact CG1-CG1 4.33Å; L59-V95 HydrophobicContact CB-CB 4.3Å; L59-V95 PolarHBondContact N-O 2.88Å; L59-V95 PolarHBondContact O-N 2.77Å; V95-F100 HydrophobicContact CG2-CD2 3.9Å; V95-F100 HydrophobicContact CG2-CE2 4.44Å; V95-W143 HydrophobicContact CG1-CZ2 3.86Å |
| 96 | D | 66.2 | Low | 73.4 | Confident | 44 Ų | 44 | 41 Ų | 41 | 24% | 0.235 | 21% | 0.211 | C | C | . | . | trans | -130.9 | -173.2 | 173.8 | 66.1 | 20.9 | 0 | 0 | 0 | 111.1 | K58 A98 G99 W143 | K58-D96 HydrophobicContact CG-CB 4.47Å; D96-A98 PolarHBondContact O-N 2.94Å; D96-A98 WeakPolarHBondContact OD1-CA 3.18Å; D96-A98 WeakPolarHBondContact OD1-CB 3.37Å; D96-A98 PolarHBondContact OD1-N 3.37Å; D96-G99 PolarHBondContact N-O 2.83Å; D96-G99 VanDerWaalsContact N-O 3.13Å; D96-G99 PolarHBondContact OD1-N 3.03Å; D96-W143 PolarHBondContact O-NE1 3.3Å | ||
| 97 | Y | 66 | Low | 73.6 | Confident | 179 Ų | 179 | 44 Ų | 44 | 70% | 0.702 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -68.8 | -20.1 | 178.2 | 69.7 | -90.4 | 0 | 0 | 0 | 113.2 | ||
| 98 | A | 69 | Low | 73.8 | Confident | 33 Ų | 33 | 40.3 Ų | 40.3 | 27% | 0.273 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -90.8 | -32.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D96 | D96-A98 PolarHBondContact O-N 2.94Å; D96-A98 WeakPolarHBondContact OD1-CA 3.18Å; D96-A98 WeakPolarHBondContact OD1-CB 3.37Å; D96-A98 PolarHBondContact OD1-N 3.37Å |
| 99 | G | 71.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | -176.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116 | D96 K141 W143 | D96-G99 PolarHBondContact N-O 2.83Å; D96-G99 VanDerWaalsContact N-O 3.13Å; D96-G99 PolarHBondContact OD1-N 3.03Å; G99-K141 CarbonylContact C-O 3.55Å; G99-K141 WeakPolarHBondContact CA-O 3.19Å; G99-W143 PolarHBondContact O-NE1 2.74Å |
| 100 | F | 70.2 | Confident | 73.4 | Confident | 49 Ų | 49 | 39.8 Ų | 39.8 | 22% | 0.215 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.6 | 171.7 | 169.6 | -95.9 | 0 | 0 | 0 | 109 | L93 V95 A102 F139 Y140 K141 W143 | L93-F100 HydrophobicContact CD2-CE2 4Å; L93-F100 HydrophobicContact CD2-CZ 3.7Å; V95-F100 HydrophobicContact CG2-CD2 3.9Å; V95-F100 HydrophobicContact CG2-CE2 4.44Å; F100-A102 HydrophobicContact CE1-CB 3.81Å; F100-A102 HydrophobicContact CZ-CB 3.9Å; F100-F139 AromaticContact CD1-CD1 3.87Å; F100-F139 HydrophobicContact CD1-CD1 3.87Å; F100-F139 AromaticContact CD1-CE1 3.73Å; F100-F139 HydrophobicContact CD1-CE1 3.73Å; F100-F139 AromaticContact CE1-CD1 3.71Å; F100-F139 HydrophobicContact CE1-CD1 3.71Å; F100-F139 AromaticContact CE1-CE1 3.81Å; F100-F139 HydrophobicContact CE1-CE1 3.81Å; F100-Y140 CarbonylContact O-C 3.48Å; F100-Y140 VanDerWaalsContact O-CA 3.3Å; F100-Y140 WeakPolarHBondContact O-CA 3.44Å; F100-K141 PolarHBondContact N-O 3.06Å; F100-K141 PolarHBondContact O-N 2.99Å; F100-W143 HydrophobicContact CB-CH2 4.26Å; F100-W143 HydrophobicContact CB-CZ2 3.84Å |
| 101 | C | 77.6 | Confident | 72.6 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 10% | 0.101 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 132.4 | 175.8 | -169.4 | 0 | 0 | 0 | 0 | 109.9 | L93 D94 N103 F139 Y140 | L93-C101 CarbonylContact C-O 3.36Å; L93-C101 VanDerWaalsContact CA-O 3.27Å; L93-C101 WeakPolarHBondContact CA-O 3.41Å; D94-C101 HydrophobicContact CB-CB 4.1Å; D94-C101 PolarHBondContact N-O 2.87Å; D94-C101 PolarHBondContact O-N 2.88Å; C101-N103 PolarHBondContact SG-ND2 2.82Å; C101-N103 VanDerWaalsContact SG-ND2 3.43Å; C101-N103 PolarHBondContact SG-OD1 3.35Å; C101-F139 CarbonylContact C-O 3.56Å; C101-F139 VanDerWaalsContact CA-O 3.28Å; C101-F139 WeakPolarHBondContact CA-O 3.11Å; C101-F139 PolarHBondContact SG-O 2.88Å; C101-Y140 HydrophobicContact CB-CD2 3.74Å; C101-Y140 HydrophobicContact CB-CE2 4.35Å |
| 102 | A | 74.9 | Confident | 72 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 5% | 0.05 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 110.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | V91 H92 L93 F100 F137 F139 | V91-A102 HydrophobicContact CG1-CB 4.28Å; H92-A102 WeakPolarHBondContact O-CA 3.46Å; L93-A102 HydrophobicContact CD2-CB 3.34Å; F100-A102 HydrophobicContact CE1-CB 3.81Å; F100-A102 HydrophobicContact CZ-CB 3.9Å; A102-F137 HydrophobicContact CB-CE2 4.15Å; A102-F137 WeakPolarHBondContact O-CE2 3.48Å; A102-F139 HydrophobicContact CB-CB 4.26Å; A102-F139 HydrophobicContact CB-CD1 4.41Å; A102-F139 PolarHBondContact N-O 3.24Å; A102-F139 PolarHBondContact O-N 2.97Å |
| 103 | N | 80.3 | Confident | 71.1 | Confident | 47 Ų | 47 | 38 Ų | 38 | 25% | 0.251 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121.1 | -174.7 | -58.5 | -17.2 | 0 | 0 | 0 | 109.2 | V91 H92 C101 F137 K138 | V91-N103 CarbonylContact C-O 3.55Å; H92-N103 WeakPolarHBondContact CA-O 3.33Å; H92-N103 WeakPolarHBondContact CB-O 3.34Å; H92-N103 PolarHBondContact N-O 3.03Å; H92-N103 PolarHBondContact O-N 2.84Å; C101-N103 PolarHBondContact SG-ND2 2.82Å; C101-N103 VanDerWaalsContact SG-ND2 3.43Å; C101-N103 PolarHBondContact SG-OD1 3.35Å; N103-F137 CarbonylContact C-O 3.52Å; N103-F137 WeakPolarHBondContact CA-O 3.28Å; N103-K138 HydrophobicContact CB-CG 4.37Å; N103-K138 VanDerWaalsContact CG-CG 3.49Å; N103-K138 WeakPolarHBondContact OD1-CG 3.5Å |
| 104 | G | 83.9 | Confident | 70.3 | Confident | 14 Ų | 14 | 42.7 Ų | 42.7 | 14% | 0.144 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | -178.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A90 K136 F137 | A90-G104 CarbonylContact O-C 3.58Å; A90-G104 WeakPolarHBondContact O-CA 3.44Å; G104-K136 CarbonylContact O-C 3.6Å; G104-K136 WeakPolarHBondContact O-CA 3.46Å; G104-F137 PolarHBondContact N-O 2.96Å; G104-F137 VanDerWaalsContact O-CD1 3.28Å; G104-F137 WeakPolarHBondContact O-CD1 3.46Å; G104-F137 PolarHBondContact O-N 3.03Å |
| 105 | T | 84.1 | Confident | 69.4 | Low | 38 Ų | 38 | 43.2 Ų | 43.2 | 23% | 0.233 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138.1 | 172.6 | 47.8 | 0 | 0 | 0 | 0 | 109.4 | C89 A90 P134 L135 K136 | C89-T105 CarbonylContact C-O 3.56Å; C89-T105 WeakPolarHBondContact CA-O 3.47Å; A90-T105 PolarHBondContact N-O 2.75Å; A90-T105 PolarHBondContact O-N 3.32Å; T105-P134 HydrophobicContact CG2-CB 4.35Å; T105-P134 HydrophobicContact CG2-CG 4.05Å; T105-L135 CarbonylContact C-O 3.55Å; T105-L135 VanDerWaalsContact CA-O 3.29Å; T105-L135 WeakPolarHBondContact CA-O 3.46Å; T105-K136 HydrophobicContact CG2-CG 3.64Å |
| 106 | V | 78.3 | Confident | 68.4 | Low | 12 Ų | 12 | 47.8 Ų | 47.8 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 126.5 | 173.2 | 170.3 | 0 | 0 | 0 | 0 | 108.3 | L86 C89 K108 F109 L135 F137 | L86-V106 HydrophobicContact CD2-CG1 4.32Å; C89-V106 HydrophobicContact CB-CG2 3.79Å; V106-K108 WeakPolarHBondContact CG1-O 3.19Å; V106-F109 HydrophobicContact CG1-CB 4.27Å; V106-L135 PolarHBondContact N-O 2.9Å; V106-L135 WeakPolarHBondContact O-CB 3.17Å; V106-L135 PolarHBondContact O-N 3.07Å; V106-F137 HydrophobicContact CG2-CD1 4.09Å; V106-F137 HydrophobicContact CG2-CE1 3.68Å |
| 107 | W | 73.2 | Confident | 67.2 | Low | 95 Ų | 95 | 51.4 Ų | 51.4 | 36% | 0.36 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -78.9 | -41.6 | 176.3 | -82.5 | 85.6 | 0 | 0 | 0 | 112.7 | R87 D88 S130 P134 | R87-W107 PolarHBondContact O-N 2.88Å; D88-W107 HydrophobicContact CB-CB 3.99Å; D88-W107 HydrophobicContact CB-CG 3.88Å; W107-S130 PolarHBondContact O-N 3.12Å; W107-S130 VanDerWaalsContact O-N 3.09Å; W107-P134 HydrophobicContact CD2-CB 4.04Å; W107-P134 HydrophobicContact CG-CB 3.88Å; W107-P134 HydrophobicContact CZ2-CG 4.33Å |
| 108 | K | 73.5 | Confident | 65.8 | Low | 45 Ų | 45 | 50.4 Ų | 50.4 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 129.2 | 179.5 | 172.9 | 170.3 | -174.8 | 160.2 | 0 | 111.1 | L86 R87 V106 E127 F129 | L86-K108 CarbonylContact C-O 3.46Å; L86-K108 WeakPolarHBondContact CA-O 3.5Å; R87-K108 HydrophobicContact CB-CB 4.08Å; R87-K108 PolarHBondContact N-O 3.21Å; R87-K108 PolarHBondContact O-N 3.37Å; V106-K108 WeakPolarHBondContact CG1-O 3.19Å; K108-E127 VanDerWaalsContact CE-CD 3.49Å; K108-E127 VanDerWaalsContact CE-OE2 3.28Å; K108-E127 WeakPolarHBondContact CE-OE2 3.03Å; K108-E127 VanDerWaalsContact NZ-CD 3.33Å; K108-E127 IonicContact NZ-OE1 3.43Å; K108-E127 PolarHBondContact NZ-OE1 3.25Å; K108-E127 IonicContact NZ-OE2 3.86Å; K108-E127 PolarHBondContact NZ-OE2 3.29Å; K108-F129 HydrophobicContact CB-CB 4.08Å; K108-F129 HydrophobicContact CD-CB 4.07Å; K108-F129 HydrophobicContact CG-CB 3.86Å |
| 109 | F | 69.2 | Low | 64.7 | Low | 67 Ų | 67 | 57.1 Ų | 57.1 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.2 | 173.2 | 177.4 | -82.5 | 0 | 0 | 0 | 107.8 | L84 R85 L86 V106 L128 | L84-F109 HydrophobicContact CD1-CE1 4.29Å; L84-F109 HydrophobicContact CD1-CE2 3.54Å; L84-F109 HydrophobicContact CD1-CZ 3.33Å; L84-F109 HydrophobicContact CD2-CE2 4.29Å; L84-F109 HydrophobicContact CG-CE2 4.04Å; L84-F109 HydrophobicContact CG-CZ 4.17Å; R85-F109 CarbonylContact O-C 3.52Å; R85-F109 WeakPolarHBondContact O-CA 3.11Å; L86-F109 HydrophobicContact CD2-CB 4.44Å; L86-F109 HydrophobicContact CD2-CD2 3.37Å; L86-F109 HydrophobicContact CD2-CE2 4Å; L86-F109 HydrophobicContact CD2-CG 4.29Å; V106-F109 HydrophobicContact CG1-CB 4.27Å; F109-L128 HydrophobicContact CB-CB 4.28Å; F109-L128 HydrophobicContact CD1-CB 4.39Å; F109-L128 PolarHBondContact N-O 2.76Å; F109-L128 CarbonylContact O-C 3.57Å; F109-L128 PolarHBondContact O-N 3.22Å |
| 110 | S | 67.7 | Low | 63.4 | Low | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 127.5 | 176.5 | 69.4 | 0 | 0 | 0 | 0 | 110.6 | L84 R85 A126 E127 | L84-S110 CarbonylContact C-O 3.43Å; L84-S110 WeakPolarHBondContact CA-O 3.23Å; R85-S110 WeakPolarHBondContact CB-OG 3.37Å; R85-S110 WeakPolarHBondContact CG-OG 3.33Å; R85-S110 PolarHBondContact N-O 3.07Å; R85-S110 PolarHBondContact O-N 3.11Å; S110-A126 CarbonylContact C-O 3.59Å; S110-E127 VanDerWaalsContact CB-CG 3.41Å |
| 111 | L | 61.3 | Low | 62.5 | Low | 13 Ų | 13 | 59.8 Ų | 59.8 | 7% | 0.068 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 112.2 | 164.4 | -171.1 | 70.3 | 0 | 0 | 0 | 108 | V72 I83 L84 K125 A126 F173 V177 | V72-L111 HydrophobicContact CB-CD1 4.45Å; V72-L111 HydrophobicContact CG2-CD1 4.2Å; I83-L111 WeakPolarHBondContact O-CA 3.33Å; L84-L111 HydrophobicContact CB-CD1 3.85Å; L84-L111 HydrophobicContact CD1-CD1 4.13Å; L111-K125 WeakPolarHBondContact O-CA 3.18Å; L111-A126 PolarHBondContact N-O 2.9Å; L111-A126 PolarHBondContact O-N 2.87Å; L111-A126 VanDerWaalsContact O-N 3.09Å; L111-F173 HydrophobicContact CB-CE2 4.3Å; L111-F173 HydrophobicContact CD2-CD2 3.91Å; L111-F173 HydrophobicContact CD2-CE2 3.71Å; L111-V177 HydrophobicContact CD2-CG2 3.6Å |
| 112 | R | 61.1 | Low | 61.3 | Low | 50 Ų | 50 | 59.6 Ų | 59.6 | 19% | 0.189 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119 | -178.4 | -87.6 | 177.9 | -169.7 | -143.5 | -0.5 | 110.1 | G82 I83 R85 K125 E127 E299 | G82-R112 CarbonylContact C-O 3.57Å; G82-R112 WeakPolarHBondContact CA-O 3.33Å; I83-R112 HydrophobicContact CB-CB 4.38Å; I83-R112 PolarHBondContact N-O 3.19Å; I83-R112 PolarHBondContact O-N 3.2Å; R85-R112 VanDerWaalsContact NH1-CD 3.29Å; R85-R112 VanDerWaalsContact NH1-NH1 3.14Å; R112-K125 HydrophobicContact CB-CG 4.32Å; R112-K125 HydrophobicContact CG-CD 3.73Å; R112-K125 HydrophobicContact CG-CG 3.25Å; R112-E127 IonicContact CZ-OE1 3.66Å; R112-E127 IonicContact NE-OE1 3.79Å; R112-E127 PolarHBondContact NE-OE1 2.85Å; R112-E127 IonicContact NH2-OE1 2.67Å; R112-E127 PolarHBondContact NH2-OE1 3.05Å; R112-E299 IonicContact NH2-OE1 3.42Å; R112-E299 IonicContact NH2-OE2 2.69Å |
| 113 | D | 57.1 | Low | 59.8 | Low | 16 Ų | 16 | 64.2 Ų | 64.2 | 9% | 0.086 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 138.6 | 170.3 | -150.4 | -40.6 | 0 | 0 | 0 | 111.3 | Y74 A115 L124 N176 | Y74-D113 HydrophobicContact CE2-CB 4.47Å; Y74-D113 VanDerWaalsContact CE2-OD1 3.23Å; Y74-D113 WeakPolarHBondContact CE2-OD1 3.25Å; Y74-D113 WeakPolarHBondContact CE2-OD2 3.44Å; Y74-D113 VanDerWaalsContact OH-CG 3.22Å; Y74-D113 PolarHBondContact OH-OD2 3.4Å; D113-A115 VanDerWaalsContact C-N 3.31Å; D113-A115 PolarHBondContact O-N 2.94Å; D113-L124 HydrophobicContact CB-CB 3.27Å; D113-L124 HydrophobicContact CB-CD1 3.79Å; D113-L124 HydrophobicContact CB-CG 4.07Å; D113-L124 PolarHBondContact N-O 2.82Å; D113-N176 PolarHBondContact OD2-ND2 2.81Å |
| 114 | R | 52.5 | Low | 58.4 | Low | 131 Ų | 131 | 62.8 Ų | 62.8 | 49% | 0.494 | 33% | 0.325 | S | S | . | . | trans | -95.2 | 55.4 | 177.9 | -153.6 | -177.3 | -167.6 | 177.9 | -1.7 | 109.9 | E71 N80 S81 I83 | E71-R114 IonicContact OE1-CZ 3.14Å; E71-R114 IonicContact OE1-NH1 3.39Å; E71-R114 PolarHBondContact OE1-NH1 3.33Å; E71-R114 IonicContact OE2-NH1 2.68Å; N80-R114 PolarHBondContact OD1-O 3.11Å; S81-R114 WeakPolarHBondContact O-CB 3.47Å; S81-R114 PolarHBondContact O-N 3.02Å; I83-R114 HydrophobicContact CD1-CB 4.33Å; I83-R114 HydrophobicContact CD1-CG 4.07Å; I83-R114 HydrophobicContact CG1-CB 4.49Å | ||
| 115 | A | 51.1 | Low | 56.7 | Low | 40 Ų | 40 | 62.7 Ų | 62.7 | 33% | 0.331 | 32% | 0.321 | S | S | . | . | trans | -71.3 | 132 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D113 V117 L124 | D113-A115 VanDerWaalsContact C-N 3.31Å; D113-A115 PolarHBondContact O-N 2.94Å; A115-V117 VanDerWaalsContact C-N 3.31Å; A115-V117 PolarHBondContact O-N 2.89Å; A115-L124 HydrophobicContact CB-CD1 3.49Å; A115-L124 VanDerWaalsContact CB-CD1 3.49Å | ||
| 116 | S | 46.3 | Very low | 55.4 | Low | 107 Ų | 107 | 61.1 Ų | 61.1 | 75% | 0.748 | 31% | 0.312 | S | S | * | . | trans | -85.2 | 10.5 | 179.5 | 54.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 117 | V | 42.3 | Very low | 54.5 | Low | 119 Ų | 119 | 60.8 Ų | 60.8 | 72% | 0.721 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -126.1 | 131.3 | -173.6 | -173.9 | 0 | 0 | 0 | 0 | 111 | A115 | A115-V117 VanDerWaalsContact C-N 3.31Å; A115-V117 PolarHBondContact O-N 2.89Å |
| 118 | L | 35.8 | Very low | 54.2 | Low | 158 Ų | 158 | 57.7 Ų | 57.7 | 83% | 0.827 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -65.9 | 159 | -176.1 | -74.3 | 112.3 | 0 | 0 | 0 | 114 | ||
| 119 | E | 46.7 | Very low | 53.9 | Low | 175 Ų | 175 | 56.5 Ų | 56.5 | 82% | 0.818 | 30% | 0.295 | S | S | * | . | trans | 89.8 | 9.6 | 162.8 | -61.7 | -171.1 | 178.3 | 0 | 0 | 121.1 | N121 | E119-N121 PolarHBondContact O-N 2.76Š| ||
| 120 | D | 44.5 | Very low | 54 | Low | 51 Ų | 51 | 53.6 Ų | 53.6 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | trans | -74.8 | 116 | 168.1 | -93.3 | -24 | 0 | 0 | 0 | 112.2 | Y122 L123 | D120-Y122 PolarHBondContact O-N 2.8Å; D120-L123 PolarHBondContact O-N 2.83Å | ||
| 121 | N | 50.5 | Low | 53.9 | Low | 53 Ų | 53 | 58.1 Ų | 58.1 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -62.4 | -43 | -177.6 | -88.4 | -33.2 | 0 | 0 | 0 | 112.9 | E119 L123 V226 R282 | E119-N121 PolarHBondContact O-N 2.76Å; N121-L123 PolarHBondContact O-N 3.03Å; N121-V226 PolarHBondContact ND2-O 2.91Å; N121-R282 VanDerWaalsContact C-NH1 3.26Å; N121-R282 VanDerWaalsContact CG-NH1 3.33Å; N121-R282 PolarHBondContact O-NH1 2.77Å; N121-R282 PolarHBondContact O-NH2 2.9Å; N121-R282 VanDerWaalsContact O-NH2 3.09Å; N121-R282 PolarHBondContact OD1-NH1 3.43Å |
| 122 | Y | 52 | Low | 54.3 | Low | 11 Ų | 11 | 60.8 Ų | 60.8 | 4% | 0.043 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -94.9 | 81.2 | 167 | -52.7 | -81.4 | 0 | 0 | 0 | 108.3 | D120 L124 P222 A225 S227 V230 F302 | D120-Y122 PolarHBondContact O-N 2.8Å; Y122-L124 VanDerWaalsContact C-N 3.26Å; Y122-L124 PolarHBondContact O-N 2.8Å; Y122-P222 HydrophobicContact CD1-CB 4.42Å; Y122-P222 HydrophobicContact CD2-CB 3.57Å; Y122-P222 HydrophobicContact CD2-CG 3.87Å; Y122-P222 HydrophobicContact CE1-CB 4.18Å; Y122-P222 HydrophobicContact CE2-CB 3.29Å; Y122-P222 HydrophobicContact CE2-CG 4.12Å; Y122-P222 HydrophobicContact CG-CB 4.16Å; Y122-P222 HydrophobicContact CG-CG 4.17Å; Y122-A225 WeakPolarHBondContact CD2-O 3.49Å; Y122-S227 WeakPolarHBondContact CE2-O 3.36Å; Y122-S227 PolarHBondContact OH-O 2.82Å; Y122-V230 HydrophobicContact CE1-CG2 3.9Å; Y122-V230 WeakPolarHBondContact OH-CG2 3.05Å; Y122-F302 HydrophobicContact CE1-CE1 4.23Å |
| 123 | L | 44.8 | Very low | 55 | Low | 103 Ų | 103 | 62.8 Ų | 62.8 | 54% | 0.539 | 34% | 0.335 | S | S | . | . | trans | -47.9 | 89.2 | 178.4 | -135.5 | 157.6 | 0 | 0 | 0 | 110.4 | D120 N121 K125 | D120-L123 PolarHBondContact O-N 2.83Å; N121-L123 PolarHBondContact O-N 3.03Å; L123-K125 VanDerWaalsContact C-N 3.25Å; L123-K125 WeakPolarHBondContact O-CB 3.43Å; L123-K125 WeakPolarHBondContact O-CG 3.42Å; L123-K125 PolarHBondContact O-N 3.05Å | ||
| 124 | L | 49.6 | Very low | 55.9 | Low | 18 Ų | 18 | 63.3 Ų | 63.3 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 3.2 | 61.1 | 177.2 | -62.1 | 160.4 | 0 | 0 | 0 | 116.3 | D113 A115 Y122 R172 | D113-L124 HydrophobicContact CB-CB 3.27Å; D113-L124 HydrophobicContact CB-CD1 3.79Å; D113-L124 HydrophobicContact CB-CG 4.07Å; D113-L124 PolarHBondContact N-O 2.82Å; A115-L124 HydrophobicContact CB-CD1 3.49Å; A115-L124 VanDerWaalsContact CB-CD1 3.49Å; Y122-L124 VanDerWaalsContact C-N 3.26Å; Y122-L124 PolarHBondContact O-N 2.8Å; L124-R172 HydrophobicContact CD2-CB 4.1Å; L124-R172 HydrophobicContact CD2-CG 4.14Å |
| 125 | K | 49.2 | Very low | 57.2 | Low | 11 Ų | 11 | 57.7 Ų | 57.7 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 118.5 | -173.5 | -89.9 | 174.1 | -135.9 | 171.2 | 0 | 110.1 | L111 R112 L123 E127 E299 | L111-K125 WeakPolarHBondContact O-CA 3.18Å; R112-K125 HydrophobicContact CB-CG 4.32Å; R112-K125 HydrophobicContact CG-CD 3.73Å; R112-K125 HydrophobicContact CG-CG 3.25Å; L123-K125 VanDerWaalsContact C-N 3.25Å; L123-K125 WeakPolarHBondContact O-CB 3.43Å; L123-K125 WeakPolarHBondContact O-CG 3.42Å; L123-K125 PolarHBondContact O-N 3.05Å; K125-E127 HydrophobicContact CB-CG 4.15Å; K125-E127 HydrophobicContact CD-CG 4.14Å; K125-E127 WeakPolarHBondContact CD-OE1 3.41Å; K125-E127 HydrophobicContact CG-CG 4.24Å; K125-E299 IonicContact NZ-OE2 3.13Å; K125-E299 PolarHBondContact NZ-OE2 2.92Å |
| 126 | A | 55.5 | Low | 58.8 | Low | 6 Ų | 6 | 61.7 Ų | 61.7 | 5% | 0.05 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 110.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | S110 L111 F173 | S110-A126 CarbonylContact C-O 3.59Å; L111-A126 PolarHBondContact N-O 2.9Å; L111-A126 PolarHBondContact O-N 2.87Å; L111-A126 VanDerWaalsContact O-N 3.09Å; A126-F173 HydrophobicContact CB-CB 4.15Å; A126-F173 HydrophobicContact CB-CD1 3.88Å; A126-F173 HydrophobicContact CB-CD2 3.04Å; A126-F173 HydrophobicContact CB-CE1 3.97Å; A126-F173 HydrophobicContact CB-CE2 3.13Å; A126-F173 HydrophobicContact CB-CG 3.42Å; A126-F173 VanDerWaalsContact CB-CG 3.42Å; A126-F173 HydrophobicContact CB-CZ 3.61Å |
| 127 | E | 60.3 | Low | 60.7 | Low | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.019 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.5 | 173.2 | -80.3 | -164.6 | 172.7 | 0 | 0 | 108.3 | K108 S110 R112 K125 V168 Y296 | K108-E127 VanDerWaalsContact CE-CD 3.49Å; K108-E127 VanDerWaalsContact CE-OE2 3.28Å; K108-E127 WeakPolarHBondContact CE-OE2 3.03Å; K108-E127 VanDerWaalsContact NZ-CD 3.33Å; K108-E127 IonicContact NZ-OE1 3.43Å; K108-E127 PolarHBondContact NZ-OE1 3.25Å; K108-E127 IonicContact NZ-OE2 3.86Å; K108-E127 PolarHBondContact NZ-OE2 3.29Å; S110-E127 VanDerWaalsContact CB-CG 3.41Å; R112-E127 IonicContact CZ-OE1 3.66Å; R112-E127 IonicContact NE-OE1 3.79Å; R112-E127 PolarHBondContact NE-OE1 2.85Å; R112-E127 IonicContact NH2-OE1 2.67Å; R112-E127 PolarHBondContact NH2-OE1 3.05Å; K125-E127 HydrophobicContact CB-CG 4.15Å; K125-E127 HydrophobicContact CD-CG 4.14Å; K125-E127 WeakPolarHBondContact CD-OE1 3.41Å; K125-E127 HydrophobicContact CG-CG 4.24Å; E127-V168 PolarHBondContact O-N 3.48Å; E127-Y296 HydrophobicContact CB-CE1 4.45Å; E127-Y296 WeakPolarHBondContact CB-OH 3.37Å; E127-Y296 PolarHBondContact O-OH 3.41Å |
| 128 | L | 67.1 | Low | 62.6 | Low | 31 Ų | 31 | 58.4 Ų | 58.4 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 105 | 164.9 | -175.8 | 95.9 | 0 | 0 | 0 | 106.3 | F109 L135 L165 Y166 L167 | F109-L128 HydrophobicContact CB-CB 4.28Å; F109-L128 HydrophobicContact CD1-CB 4.39Å; F109-L128 PolarHBondContact N-O 2.76Å; F109-L128 CarbonylContact O-C 3.57Å; F109-L128 PolarHBondContact O-N 3.22Å; L128-L135 HydrophobicContact CD2-CD2 3.48Å; L128-L135 VanDerWaalsContact CD2-CD2 3.48Å; L128-L165 HydrophobicContact CD1-CD2 4.18Å; L128-L165 HydrophobicContact CD2-CD2 4.36Å; L128-L165 HydrophobicContact CG-CD2 4.02Å; L128-Y166 WeakPolarHBondContact CA-O 3.47Å; L128-L167 HydrophobicContact CB-CD1 4.44Å; L128-L167 HydrophobicContact CD1-CD1 3.63Å |
| 129 | F | 66.6 | Low | 64.8 | Low | 19 Ų | 19 | 53.2 Ų | 53.2 | 8% | 0.083 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 144.4 | 176.7 | 84.3 | -85.7 | 0 | 0 | 0 | 110.6 | K108 E131 L165 Y166 Y296 | K108-F129 HydrophobicContact CB-CB 4.08Å; K108-F129 HydrophobicContact CD-CB 4.07Å; K108-F129 HydrophobicContact CG-CB 3.86Å; F129-E131 HydrophobicContact CD2-CG 4.08Å; F129-E131 HydrophobicContact CE2-CG 3.43Å; F129-E131 VanDerWaalsContact CE2-CG 3.43Å; F129-E131 HydrophobicContact CZ-CG 4.38Å; F129-L165 WeakPolarHBondContact O-CA 3.45Å; F129-Y166 HydrophobicContact CD1-CD2 4.13Å; F129-Y166 HydrophobicContact CD1-CG 4.32Å; F129-Y166 HydrophobicContact CD2-CD2 4.25Å; F129-Y166 VanDerWaalsContact CE1-CB 3.41Å; F129-Y166 HydrophobicContact CE1-CD1 4.43Å; F129-Y166 AromaticContact CE1-CD2 3.43Å; F129-Y166 HydrophobicContact CE1-CD2 3.43Å; F129-Y166 VanDerWaalsContact CE1-CD2 3.43Å; F129-Y166 HydrophobicContact CE1-CE2 4.27Å; F129-Y166 AromaticContact CE1-CG 3.52Å; F129-Y166 HydrophobicContact CE1-CG 3.52Å; F129-Y166 AromaticContact CE2-CD2 3.6Å; F129-Y166 HydrophobicContact CE2-CD2 3.6Å; F129-Y166 AromaticContact CE2-CE2 3.83Å; F129-Y166 HydrophobicContact CE2-CE2 3.83Å; F129-Y166 HydrophobicContact CE2-CG 4.49Å; F129-Y166 HydrophobicContact CZ-CD1 4.39Å; F129-Y166 AromaticContact CZ-CD2 3.11Å; F129-Y166 HydrophobicContact CZ-CD2 3.11Å; F129-Y166 AromaticContact CZ-CE2 3.52Å; F129-Y166 HydrophobicContact CZ-CE2 3.52Å; F129-Y166 AromaticContact CZ-CG 3.62Å; F129-Y166 HydrophobicContact CZ-CG 3.62Å; F129-Y166 PolarHBondContact N-O 2.87Å; F129-Y166 PolarHBondContact O-N 2.84Å; F129-Y296 AromaticContact CD1-CE1 3.92Å; F129-Y296 HydrophobicContact CD1-CE1 3.92Å; F129-Y296 HydrophobicContact CD1-CE2 4Å; F129-Y296 AromaticContact CD1-CZ 3.55Å; F129-Y296 WeakPolarHBondContact CD1-OH 3.27Å; F129-Y296 AromaticContact CE1-CD1 3.82Å; F129-Y296 HydrophobicContact CE1-CD1 3.82Å; F129-Y296 AromaticContact CE1-CD2 3.65Å; F129-Y296 HydrophobicContact CE1-CD2 3.65Å; F129-Y296 AromaticContact CE1-CE1 3.55Å; F129-Y296 HydrophobicContact CE1-CE1 3.55Å; F129-Y296 AromaticContact CE1-CE2 3.42Å; F129-Y296 HydrophobicContact CE1-CE2 3.42Å; F129-Y296 VanDerWaalsContact CE1-CE2 3.42Å; F129-Y296 AromaticContact CE1-CG 3.85Å; F129-Y296 HydrophobicContact CE1-CG 3.85Å; F129-Y296 AromaticContact CE1-CZ 3.3Å; F129-Y296 HydrophobicContact CZ-CD2 4.37Å; F129-Y296 HydrophobicContact CZ-CG 4.39Å |
| 130 | S | 71.2 | Confident | 66.4 | Low | 7 Ų | 7 | 47.3 Ų | 47.3 | 5% | 0.049 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 133.3 | 172.3 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | W107 Q133 R164 | W107-S130 PolarHBondContact O-N 3.12Å; W107-S130 VanDerWaalsContact O-N 3.09Å; S130-Q133 WeakPolarHBondContact CB-O 3.04Å; S130-Q133 PolarHBondContact OG-O 2.8Å; S130-R164 WeakPolarHBondContact CA-O 3.4Å; S130-R164 PolarHBondContact OG-O 2.77Å |
| 131 | E | 66.2 | Low | 67.9 | Low | 97 Ų | 97 | 48.5 Ų | 48.5 | 45% | 0.453 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -84.7 | -31.3 | -178.8 | -73.4 | -175.5 | 148.4 | 0 | 0 | 113.6 | F129 R164 Y166 | F129-E131 HydrophobicContact CD2-CG 4.08Å; F129-E131 HydrophobicContact CE2-CG 3.43Å; F129-E131 VanDerWaalsContact CE2-CG 3.43Å; F129-E131 HydrophobicContact CZ-CG 4.38Å; E131-R164 PolarHBondContact N-O 2.87Å; E131-Y166 HydrophobicContact CG-CE2 3.89Å; E131-Y166 PolarHBondContact OE2-OH 3.42Å; E131-Y166 VanDerWaalsContact OE2-OH 3.09Å |
| 132 | S | 70.4 | Confident | 69 | Low | 70 Ų | 70 | 49.5 Ų | 49.5 | 49% | 0.49 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -113.5 | -36.2 | -163.4 | 43.3 | 0 | 0 | 0 | 0 | 113.5 | G163 R164 | S132-G163 WeakPolarHBondContact OG-CA 3.45Å; S132-R164 PolarHBondContact OG-N 3.39Å |
| 133 | Q | 74.7 | Confident | 69.4 | Low | 91 Ų | 91 | 52.2 Ų | 52.2 | 43% | 0.425 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -144.2 | 137.7 | 179.7 | -66.6 | -168 | -6.7 | 0 | 0 | 110.6 | S130 | S130-Q133 WeakPolarHBondContact CB-O 3.04Å; S130-Q133 PolarHBondContact OG-O 2.8Å |
| 134 | P | 76.2 | Confident | 70.6 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 144.6 | 178.9 | 27 | -32.3 | 0 | 0 | 0 | 111.8 | T105 W107 K136 | T105-P134 HydrophobicContact CG2-CB 4.35Å; T105-P134 HydrophobicContact CG2-CG 4.05Å; W107-P134 HydrophobicContact CD2-CB 4.04Å; W107-P134 HydrophobicContact CG-CB 3.88Å; W107-P134 HydrophobicContact CZ2-CG 4.33Å; P134-K136 PolarHBondContact O-N 2.86Å |
| 135 | L | 79.9 | Confident | 71.2 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 118.8 | 171.8 | -179.8 | 77.4 | 0 | 0 | 0 | 108.9 | T105 V106 L128 L159 L165 L214 | T105-L135 CarbonylContact C-O 3.55Å; T105-L135 VanDerWaalsContact CA-O 3.29Å; T105-L135 WeakPolarHBondContact CA-O 3.46Å; V106-L135 PolarHBondContact N-O 2.9Å; V106-L135 WeakPolarHBondContact O-CB 3.17Å; V106-L135 PolarHBondContact O-N 3.07Å; L128-L135 HydrophobicContact CD2-CD2 3.48Å; L128-L135 VanDerWaalsContact CD2-CD2 3.48Å; L135-L159 HydrophobicContact CD1-CB 4.45Å; L135-L159 HydrophobicContact CD2-CD2 4.11Å; L135-L159 HydrophobicContact CG-CD2 4.49Å; L135-L165 HydrophobicContact CD1-CD1 4.33Å; L135-L214 HydrophobicContact CD1-CD2 3.67Å |
| 136 | K | 85 | Confident | 72.2 | Confident | 124 Ų | 124 | 56 Ų | 56 | 54% | 0.539 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 129.1 | 171.6 | -71.8 | 173.4 | -177.3 | 179.3 | 0 | 108.8 | G104 T105 P134 L159 T160 | G104-K136 CarbonylContact O-C 3.6Å; G104-K136 WeakPolarHBondContact O-CA 3.46Å; T105-K136 HydrophobicContact CG2-CG 3.64Å; P134-K136 PolarHBondContact O-N 2.86Å; K136-L159 CarbonylContact O-C 3.27Å; K136-L159 WeakPolarHBondContact O-CA 3.27Å; K136-T160 WeakPolarHBondContact CB-O 3.28Å; K136-T160 WeakPolarHBondContact CB-OG1 3.34Å; K136-T160 PolarHBondContact N-O 3.38Å; K136-T160 PolarHBondContact O-N 3.38Å |
| 137 | F | 85.4 | Confident | 72.7 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 17% | 0.171 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.1 | 173.8 | 74.7 | -84.4 | 0 | 0 | 0 | 111.1 | V91 A102 N103 G104 V106 F139 L157 R158 L159 | V91-F137 HydrophobicContact CB-CZ 4.25Å; V91-F137 HydrophobicContact CG1-CE2 4.3Å; V91-F137 HydrophobicContact CG1-CZ 3.69Å; V91-F137 HydrophobicContact CG2-CE1 3.91Å; V91-F137 HydrophobicContact CG2-CZ 3.6Å; A102-F137 HydrophobicContact CB-CE2 4.15Å; A102-F137 WeakPolarHBondContact O-CE2 3.48Å; N103-F137 CarbonylContact C-O 3.52Å; N103-F137 WeakPolarHBondContact CA-O 3.28Å; G104-F137 PolarHBondContact N-O 2.96Å; G104-F137 VanDerWaalsContact O-CD1 3.28Å; G104-F137 WeakPolarHBondContact O-CD1 3.46Å; G104-F137 PolarHBondContact O-N 3.03Å; V106-F137 HydrophobicContact CG2-CD1 4.09Å; V106-F137 HydrophobicContact CG2-CE1 3.68Å; F137-F139 HydrophobicContact CD2-CB 4.44Å; F137-L157 HydrophobicContact CB-CD1 4.49Å; F137-R158 CarbonylContact C-O 3.59Å; F137-R158 VanDerWaalsContact CA-O 3.26Å; F137-R158 WeakPolarHBondContact CA-O 3.23Å; F137-L159 HydrophobicContact CB-CD2 3.45Å; F137-L159 VanDerWaalsContact CB-CD2 3.45Å |
| 138 | K | 83.7 | Confident | 73.2 | Confident | 118 Ų | 118 | 70 Ų | 70 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 102.3 | 173 | -158.5 | -169 | -179.4 | 175.3 | 0 | 107.5 | N103 R158 | N103-K138 HydrophobicContact CB-CG 4.37Å; N103-K138 VanDerWaalsContact CG-CG 3.49Å; N103-K138 WeakPolarHBondContact OD1-CG 3.5Å; K138-R158 HydrophobicContact CB-CB 4.2Å; K138-R158 PolarHBondContact N-O 2.9Å; K138-R158 PolarHBondContact O-N 2.79Å |
| 139 | F | 81 | Confident | 73.4 | Confident | 49 Ų | 49 | 70.2 Ų | 70.2 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 141 | 177.2 | 178.2 | -105.2 | 0 | 0 | 0 | 109.8 | F100 C101 A102 F137 K141 S156 L157 L208 | F100-F139 AromaticContact CD1-CD1 3.87Å; F100-F139 HydrophobicContact CD1-CD1 3.87Å; F100-F139 AromaticContact CD1-CE1 3.73Å; F100-F139 HydrophobicContact CD1-CE1 3.73Å; F100-F139 AromaticContact CE1-CD1 3.71Å; F100-F139 HydrophobicContact CE1-CD1 3.71Å; F100-F139 AromaticContact CE1-CE1 3.81Å; F100-F139 HydrophobicContact CE1-CE1 3.81Å; C101-F139 CarbonylContact C-O 3.56Å; C101-F139 VanDerWaalsContact CA-O 3.28Å; C101-F139 WeakPolarHBondContact CA-O 3.11Å; C101-F139 PolarHBondContact SG-O 2.88Å; A102-F139 HydrophobicContact CB-CB 4.26Å; A102-F139 HydrophobicContact CB-CD1 4.41Å; A102-F139 PolarHBondContact N-O 3.24Å; A102-F139 PolarHBondContact O-N 2.97Å; F137-F139 HydrophobicContact CD2-CB 4.44Å; F139-K141 HydrophobicContact CE1-CB 3.86Å; F139-K141 HydrophobicContact CZ-CB 3.85Å; F139-S156 CarbonylContact C-O 3.58Å; F139-S156 WeakPolarHBondContact CA-O 3.34Å; F139-S156 WeakPolarHBondContact CD2-O 3.31Å; F139-L157 HydrophobicContact CB-CD1 4.05Å; F139-L157 HydrophobicContact CD2-CB 4.17Å; F139-L157 HydrophobicContact CD2-CD1 4.21Å; F139-L208 HydrophobicContact CE2-CD1 4.39Å |
| 140 | Y | 80.5 | Confident | 73.8 | Confident | 51 Ų | 51 | 76.7 Ų | 76.7 | 20% | 0.2 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 135.4 | 174.5 | -176 | -84.7 | 0 | 0 | 0 | 109.2 | F100 C101 Y142 G155 S156 | F100-Y140 CarbonylContact O-C 3.48Å; F100-Y140 VanDerWaalsContact O-CA 3.3Å; F100-Y140 WeakPolarHBondContact O-CA 3.44Å; C101-Y140 HydrophobicContact CB-CD2 3.74Å; C101-Y140 HydrophobicContact CB-CE2 4.35Å; Y140-Y142 HydrophobicContact CD1-CD2 4.33Å; Y140-Y142 HydrophobicContact CD1-CE2 4.12Å; Y140-Y142 AromaticContact CE1-CD1 3.64Å; Y140-Y142 HydrophobicContact CE1-CD1 3.64Å; Y140-Y142 AromaticContact CE1-CD2 3.83Å; Y140-Y142 HydrophobicContact CE1-CD2 3.83Å; Y140-Y142 AromaticContact CE1-CE1 3.47Å; Y140-Y142 HydrophobicContact CE1-CE1 3.47Å; Y140-Y142 VanDerWaalsContact CE1-CE1 3.47Å; Y140-Y142 AromaticContact CE1-CE2 3.66Å; Y140-Y142 HydrophobicContact CE1-CE2 3.66Å; Y140-Y142 AromaticContact CE1-CG 3.81Å; Y140-Y142 HydrophobicContact CE1-CG 3.81Å; Y140-Y142 AromaticContact CE1-CZ 3.47Å; Y140-Y142 VanDerWaalsContact CE1-CZ 3.47Å; Y140-Y142 AromaticContact CZ-CE1 3.91Å; Y140-Y142 WeakPolarHBondContact OH-CE1 3.31Å; Y140-G155 CarbonylContact O-C 3.57Å; Y140-G155 WeakPolarHBondContact O-CA 3.27Å; Y140-S156 PolarHBondContact N-O 2.95Å; Y140-S156 PolarHBondContact O-N 3.47Å |
| 141 | K | 75.9 | Confident | 74.1 | Confident | 76 Ų | 76 | 79.1 Ų | 79.1 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 129.8 | 176.5 | 178.5 | 179.5 | 176.5 | -178.3 | 0 | 109.8 | G99 F100 F139 F206 | G99-K141 CarbonylContact C-O 3.55Å; G99-K141 WeakPolarHBondContact CA-O 3.19Å; F100-K141 PolarHBondContact N-O 3.06Å; F100-K141 PolarHBondContact O-N 2.99Å; F139-K141 HydrophobicContact CE1-CB 3.86Å; F139-K141 HydrophobicContact CZ-CB 3.85Å; K141-F206 HydrophobicContact CD-CE2 4.37Å; K141-F206 HydrophobicContact CG-CE2 4.25Å; K141-F206 HydrophobicContact CG-CZ 4.46Å |
| 142 | Y | 73.1 | Confident | 74.3 | Confident | 73 Ų | 73 | 85.3 Ų | 85.3 | 29% | 0.286 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 142 | 172.6 | -67.8 | -80.4 | 0 | 0 | 0 | 111.1 | Y140 R151 F153 D154 | Y140-Y142 HydrophobicContact CD1-CD2 4.33Å; Y140-Y142 HydrophobicContact CD1-CE2 4.12Å; Y140-Y142 AromaticContact CE1-CD1 3.64Å; Y140-Y142 HydrophobicContact CE1-CD1 3.64Å; Y140-Y142 AromaticContact CE1-CD2 3.83Å; Y140-Y142 HydrophobicContact CE1-CD2 3.83Å; Y140-Y142 AromaticContact CE1-CE1 3.47Å; Y140-Y142 HydrophobicContact CE1-CE1 3.47Å; Y140-Y142 VanDerWaalsContact CE1-CE1 3.47Å; Y140-Y142 AromaticContact CE1-CE2 3.66Å; Y140-Y142 HydrophobicContact CE1-CE2 3.66Å; Y140-Y142 AromaticContact CE1-CG 3.81Å; Y140-Y142 HydrophobicContact CE1-CG 3.81Å; Y140-Y142 AromaticContact CE1-CZ 3.47Å; Y140-Y142 VanDerWaalsContact CE1-CZ 3.47Å; Y140-Y142 AromaticContact CZ-CE1 3.91Å; Y140-Y142 WeakPolarHBondContact OH-CE1 3.31Å; Y142-R151 VanDerWaalsContact CB-NH1 3.35Å; Y142-F153 HydrophobicContact CE2-CD2 4.12Å; Y142-F153 AromaticContact CE2-CE2 3.77Å; Y142-F153 HydrophobicContact CE2-CE2 3.77Å; Y142-D154 PolarHBondContact N-O 3.37Å |
| 143 | W | 61.8 | Low | 74.6 | Confident | 69 Ų | 69 | 83.9 Ų | 83.9 | 26% | 0.261 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -76.6 | -42.4 | 176.8 | -69.4 | 119.8 | 0 | 0 | 0 | 113.1 | C46 I49 V95 D96 G99 F100 | C46-W143 WeakPolarHBondContact SG-CZ3 3.22Å; I49-W143 HydrophobicContact CD1-CZ2 4.12Å; V95-W143 HydrophobicContact CG1-CZ2 3.86Å; D96-W143 PolarHBondContact O-NE1 3.3Å; G99-W143 PolarHBondContact O-NE1 2.74Å; F100-W143 HydrophobicContact CB-CH2 4.26Å; F100-W143 HydrophobicContact CB-CZ2 3.84Å |
| 144 | V | 68.4 | Low | 74.6 | Confident | 100 Ų | 100 | 80.8 Ų | 80.8 | 61% | 0.606 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -80.1 | 127 | -175.7 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | R151 | V144-R151 PolarHBondContact O-NH1 3.38Å; V144-R151 PolarHBondContact O-NH2 2.95Å |
| 145 | E | 63.9 | Low | 74.6 | Confident | 85 Ų | 85 | 79.4 Ų | 79.4 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | trans | -67.2 | 134 | 169.8 | -70.2 | -179.4 | 164.1 | 0 | 0 | 110.6 | K147 L192 | E145-K147 PolarHBondContact O-N 2.87Å; E145-L192 WeakPolarHBondContact OE1-CD1 3.39Å | ||
| 146 | D | 69.9 | Low | 74.7 | Confident | 26 Ų | 26 | 79.8 Ų | 79.8 | 14% | 0.139 | 36% | 0.356 | C | S | . | . | trans | -97.8 | 78.1 | 178.7 | 167.6 | 40.8 | 0 | 0 | 0 | 110 | Q148 L149 Q150 R151 R207 | D146-Q148 PolarHBondContact O-N 2.79Å; D146-L149 PolarHBondContact O-N 2.85Å; D146-L149 PolarHBondContact OD1-N 2.79Å; D146-L149 VanDerWaalsContact OD2-CA 3.28Å; D146-L149 WeakPolarHBondContact OD2-CA 3.16Å; D146-Q150 VanDerWaalsContact CG-N 3.31Å; D146-Q150 PolarHBondContact OD1-N 2.79Å; D146-Q150 PolarHBondContact OD2-N 3.44Å; D146-R151 HydrophobicContact CB-CB 4.43Å; D146-R151 HydrophobicContact CB-CG 4.18Å; D146-R151 VanDerWaalsContact CB-CZ 3.4Å; D146-R151 VanDerWaalsContact CB-NE 3.34Å; D146-R151 WeakPolarHBondContact OD2-CA 3.37Å; D146-R151 VanDerWaalsContact OD2-CB 3.31Å; D146-R151 WeakPolarHBondContact OD2-CB 3.43Å; D146-R151 PolarHBondContact OD2-N 2.8Å; D146-R207 IonicContact OD2-CZ 3.61Å; D146-R207 IonicContact OD2-NH1 2.67Å; D146-R207 IonicContact OD2-NH2 3.94Å; D146-R207 PolarHBondContact OD2-NH2 3.16Å | ||
| 147 | K | 65.9 | Low | 74.6 | Confident | 149 Ų | 149 | 75.7 Ų | 75.7 | 65% | 0.648 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.8 | -177.9 | -63.2 | -169.6 | 176.5 | -166.7 | 0 | 113.7 | E145 L149 | E145-K147 PolarHBondContact O-N 2.87Å; K147-L149 VanDerWaalsContact C-N 3.35Å |
| 148 | Q | 71 | Confident | 74.5 | Confident | 154 Ų | 154 | 80.2 Ų | 80.2 | 72% | 0.72 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 3.9 | 177.1 | -67.6 | -160.4 | -7.8 | 0 | 0 | 113.3 | D146 Q150 | D146-Q148 PolarHBondContact O-N 2.79Å; Q148-Q150 HydrophobicContact CB-CG 4.04Å; Q148-Q150 PolarHBondContact O-N 2.88Å; Q148-Q150 VanDerWaalsContact O-N 3.12Å |
| 149 | L | 70.1 | Confident | 74.5 | Confident | 37 Ų | 37 | 76.1 Ų | 76.1 | 19% | 0.194 | 34% | 0.339 | C | S | . | . | trans | 53.6 | 28.8 | -178.9 | -57.5 | 172 | 0 | 0 | 0 | 113.9 | D146 K147 F204 L246 | D146-L149 PolarHBondContact O-N 2.85Å; D146-L149 PolarHBondContact OD1-N 2.79Å; D146-L149 VanDerWaalsContact OD2-CA 3.28Å; D146-L149 WeakPolarHBondContact OD2-CA 3.16Å; K147-L149 VanDerWaalsContact C-N 3.35Å; L149-F204 HydrophobicContact CD1-CD2 4.19Å; L149-F204 HydrophobicContact CD1-CE1 4.26Å; L149-F204 HydrophobicContact CD1-CE2 3.83Å; L149-F204 HydrophobicContact CD1-CZ 3.87Å; L149-F204 HydrophobicContact CD2-CD2 4.03Å; L149-F204 HydrophobicContact CD2-CE2 4.44Å; L149-F204 HydrophobicContact CD2-CG 4.31Å; L149-F204 HydrophobicContact CG-CD2 4.35Å; L149-F204 HydrophobicContact CG-CE2 4.27Å; L149-L246 HydrophobicContact CB-CD1 4.42Å; L149-L246 HydrophobicContact CD1-CD1 3.73Å; L149-L246 HydrophobicContact CD1-CD2 3.91Å; L149-L246 HydrophobicContact CD1-CG 4.18Å | ||
| 150 | Q | 74.8 | Confident | 74.6 | Confident | 155 Ų | 155 | 76.3 Ų | 76.3 | 72% | 0.724 | 35% | 0.345 | S | S | * | . | trans | -73.4 | -26.6 | -179.9 | -68 | -150.4 | -1.9 | 0 | 0 | 113.9 | D146 Q148 | D146-Q150 VanDerWaalsContact CG-N 3.31Å; D146-Q150 PolarHBondContact OD1-N 2.79Å; D146-Q150 PolarHBondContact OD2-N 3.44Å; Q148-Q150 HydrophobicContact CB-CG 4.04Å; Q148-Q150 PolarHBondContact O-N 2.88Å; Q148-Q150 VanDerWaalsContact O-N 3.12Å | ||
| 151 | R | 78.1 | Confident | 74.6 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 22% | 0.219 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -84.7 | 147.2 | 175.2 | -57.5 | -173 | -55.5 | -146.2 | -1.7 | 109.8 | Y142 V144 D146 F153 D154 R207 | Y142-R151 VanDerWaalsContact CB-NH1 3.35Å; V144-R151 PolarHBondContact O-NH1 3.38Å; V144-R151 PolarHBondContact O-NH2 2.95Å; D146-R151 HydrophobicContact CB-CB 4.43Å; D146-R151 HydrophobicContact CB-CG 4.18Å; D146-R151 VanDerWaalsContact CB-CZ 3.4Å; D146-R151 VanDerWaalsContact CB-NE 3.34Å; D146-R151 WeakPolarHBondContact OD2-CA 3.37Å; D146-R151 VanDerWaalsContact OD2-CB 3.31Å; D146-R151 WeakPolarHBondContact OD2-CB 3.43Å; D146-R151 PolarHBondContact OD2-N 2.8Å; R151-F153 VanDerWaalsContact C-N 3.33Å; R151-F153 PolarHBondContact O-N 2.91Å; R151-D154 IonicContact CZ-OD1 3.36Å; R151-D154 IonicContact NH2-OD1 3.31Å; R151-D154 PolarHBondContact NH2-OD1 2.74Å; R151-R207 PolarHBondContact O-NH1 3.49Å; R151-R207 PolarHBondContact O-NH2 3.22Å |
| 152 | R | 71.1 | Confident | 74.2 | Confident | 226 Ų | 226 | 77.7 Ų | 77.7 | 85% | 0.853 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -66.6 | -31.9 | 177.4 | -75.2 | -174.4 | 175.9 | 179.9 | -1.7 | 113.6 | ||
| 153 | F | 76.9 | Confident | 74 | Confident | 41 Ų | 41 | 74.3 Ų | 74.3 | 18% | 0.18 | 35% | 0.346 | C | S | . | . | trans | -153.8 | 155.8 | -176.9 | 53.8 | -93.8 | 0 | 0 | 0 | 110.1 | Y142 R151 G155 Q209 | Y142-F153 HydrophobicContact CE2-CD2 4.12Å; Y142-F153 AromaticContact CE2-CE2 3.77Å; Y142-F153 HydrophobicContact CE2-CE2 3.77Å; R151-F153 VanDerWaalsContact C-N 3.33Å; R151-F153 PolarHBondContact O-N 2.91Å; F153-G155 WeakPolarHBondContact CD2-O 3.45Å; F153-Q209 HydrophobicContact CB-CB 3.87Å; F153-Q209 HydrophobicContact CD1-CB 3.89Å; F153-Q209 HydrophobicContact CD1-CG 4.46Å; F153-Q209 HydrophobicContact CD2-CB 4.43Å; F153-Q209 HydrophobicContact CG-CB 3.8Å | ||
| 154 | D | 74.5 | Confident | 74.6 | Confident | 25 Ų | 25 | 75.2 Ų | 75.2 | 13% | 0.134 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -94.3 | -23.9 | 175.4 | -59.7 | -52.3 | 0 | 0 | 0 | 111.7 | Y142 R151 F206 R207 | Y142-D154 PolarHBondContact N-O 3.37Å; R151-D154 IonicContact CZ-OD1 3.36Å; R151-D154 IonicContact NH2-OD1 3.31Å; R151-D154 PolarHBondContact NH2-OD1 2.74Å; D154-F206 HydrophobicContact CB-CD2 3.84Å; D154-F206 HydrophobicContact CB-CE2 3.8Å; D154-R207 PolarHBondContact N-O 3.36Å; D154-R207 IonicContact OD1-CZ 2.77Å; D154-R207 IonicContact OD1-NE 3.89Å; D154-R207 IonicContact OD1-NH2 3.77Å; D154-R207 PolarHBondContact OD1-NH2 2.83Å; D154-R207 WeakPolarHBondContact OD2-CB 3.49Å; D154-R207 IonicContact OD2-CZ 3.57Å; D154-R207 PolarHBondContact OD2-N 3.06Å; D154-R207 IonicContact OD2-NE 2.72Å; D154-R207 PolarHBondContact OD2-NE 3.2Å; D154-R207 IonicContact OD2-NH2 2.93Å |
| 155 | G | 76.1 | Confident | 74.8 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 159.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y140 F153 R207 L208 Q209 | Y140-G155 CarbonylContact O-C 3.57Å; Y140-G155 WeakPolarHBondContact O-CA 3.27Å; F153-G155 WeakPolarHBondContact CD2-O 3.45Å; G155-R207 PolarHBondContact N-O 2.98Å; G155-L208 CarbonylContact O-C 3.52Å; G155-L208 WeakPolarHBondContact O-CA 3.41Å; G155-Q209 PolarHBondContact O-N 3.14Å |
| 156 | S | 82.6 | Confident | 75.3 | Confident | 21 Ų | 21 | 67 Ų | 67 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136.1 | 175.7 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | F139 Y140 Q209 | F139-S156 CarbonylContact C-O 3.58Å; F139-S156 WeakPolarHBondContact CA-O 3.34Å; F139-S156 WeakPolarHBondContact CD2-O 3.31Å; Y140-S156 PolarHBondContact N-O 2.95Å; Y140-S156 PolarHBondContact O-N 3.47Å; S156-Q209 CarbonylContact C-O 3.51Å; S156-Q209 WeakPolarHBondContact CA-O 3.35Å |
| 157 | L | 81.8 | Confident | 75.2 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 20% | 0.199 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 109.8 | 172.9 | 176.2 | 61.1 | 0 | 0 | 0 | 108.6 | F137 F139 L159 L208 Q209 L210 D211 | F137-L157 HydrophobicContact CB-CD1 4.49Å; F139-L157 HydrophobicContact CB-CD1 4.05Å; F139-L157 HydrophobicContact CD2-CB 4.17Å; F139-L157 HydrophobicContact CD2-CD1 4.21Å; L157-L159 HydrophobicContact CD1-CD2 3.94Å; L157-L159 HydrophobicContact CD1-CG 4.34Å; L157-L159 HydrophobicContact CD2-CD1 4.34Å; L157-L159 HydrophobicContact CD2-CG 4.38Å; L157-L159 HydrophobicContact CG-CD2 4.24Å; L157-L159 HydrophobicContact CG-CG 4.1Å; L157-L208 HydrophobicContact CB-CD1 4.12Å; L157-Q209 PolarHBondContact N-O 3.44Å; L157-L210 HydrophobicContact CB-CD1 4.15Å; L157-L210 HydrophobicContact CD2-CD1 3.74Å; L157-L210 HydrophobicContact CG-CD1 4.04Å; L157-L210 CarbonylContact O-C 3.56Å; L157-L210 WeakPolarHBondContact O-CA 3.19Å; L157-D211 PolarHBondContact O-N 3.15Å |
| 158 | R | 84.3 | Confident | 75.3 | Confident | 134 Ų | 134 | 61.3 Ų | 61.3 | 51% | 0.506 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.3 | 171.5 | -174.2 | 170.7 | -82.3 | 175.4 | -5.7 | 110.8 | F137 K138 D211 | F137-R158 CarbonylContact C-O 3.59Å; F137-R158 VanDerWaalsContact CA-O 3.26Å; F137-R158 WeakPolarHBondContact CA-O 3.23Å; K138-R158 HydrophobicContact CB-CB 4.2Å; K138-R158 PolarHBondContact N-O 2.9Å; K138-R158 PolarHBondContact O-N 2.79Å; R158-D211 CarbonylContact C-O 3.54Å; R158-D211 WeakPolarHBondContact CA-O 3.49Å; R158-D211 HydrophobicContact CB-CB 4.3Å; R158-D211 HydrophobicContact CG-CB 4.12Å; R158-D211 IonicContact CZ-OD2 2.73Å; R158-D211 IonicContact NE-OD2 3.34Å; R158-D211 PolarHBondContact NE-OD2 2.86Å; R158-D211 IonicContact NH2-OD2 2.76Å; R158-D211 PolarHBondContact NH2-OD2 2.9Å |
| 159 | L | 83.8 | Confident | 74.9 | Confident | 32 Ų | 32 | 56.8 Ų | 56.8 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.7 | 177.4 | -62.3 | 176.6 | 0 | 0 | 0 | 109.7 | L135 K136 F137 L157 D211 A212 E213 L214 | L135-L159 HydrophobicContact CD1-CB 4.45Å; L135-L159 HydrophobicContact CD2-CD2 4.11Å; L135-L159 HydrophobicContact CG-CD2 4.49Å; K136-L159 CarbonylContact O-C 3.27Å; K136-L159 WeakPolarHBondContact O-CA 3.27Å; F137-L159 HydrophobicContact CB-CD2 3.45Å; F137-L159 VanDerWaalsContact CB-CD2 3.45Å; L157-L159 HydrophobicContact CD1-CD2 3.94Å; L157-L159 HydrophobicContact CD1-CG 4.34Å; L157-L159 HydrophobicContact CD2-CD1 4.34Å; L157-L159 HydrophobicContact CD2-CG 4.38Å; L157-L159 HydrophobicContact CG-CD2 4.24Å; L157-L159 HydrophobicContact CG-CG 4.1Å; L159-D211 PolarHBondContact N-O 2.85Å; L159-A212 HydrophobicContact CB-CB 3.86Å; L159-A212 HydrophobicContact CD1-CB 4.4Å; L159-A212 CarbonylContact O-C 3.59Å; L159-A212 VanDerWaalsContact O-CA 3.28Å; L159-A212 WeakPolarHBondContact O-CA 3.26Å; L159-E213 PolarHBondContact O-N 2.91Å; L159-L214 HydrophobicContact CB-CD2 4.35Å |
| 160 | T | 82.5 | Confident | 74.4 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 129.7 | 175.8 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | K136 E213 | K136-T160 WeakPolarHBondContact CB-O 3.28Å; K136-T160 WeakPolarHBondContact CB-OG1 3.34Å; K136-T160 PolarHBondContact N-O 3.38Å; K136-T160 PolarHBondContact O-N 3.38Å; T160-E213 WeakPolarHBondContact CA-O 3.33Å |
| 161 | S | 79.9 | Confident | 73.4 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 130.6 | 170.9 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | G163 E213 G215 | S161-G163 PolarHBondContact OG-N 3.04Å; S161-G163 VanDerWaalsContact OG-N 3.14Å; S161-G163 PolarHBondContact OG-O 2.96Å; S161-G163 VanDerWaalsContact OG-O 3.12Å; S161-E213 PolarHBondContact N-O 2.74Å; S161-E213 VanDerWaalsContact N-O 3.12Å; S161-G215 PolarHBondContact O-N 2.77Å |
| 162 | L | 67.7 | Low | 72.2 | Confident | 148 Ų | 148 | 52 Ų | 52 | 78% | 0.775 | 24% | 0.24 | S | C | * | . | trans | -95.5 | -9.4 | 167.3 | -63.7 | 168.6 | 0 | 0 | 0 | 111.9 | ||||
| 163 | G | 69.3 | Low | 71.2 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -86.6 | 154.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S132 S161 L165 G215 | S132-G163 WeakPolarHBondContact OG-CA 3.45Å; S161-G163 PolarHBondContact OG-N 3.04Å; S161-G163 VanDerWaalsContact OG-N 3.14Å; S161-G163 PolarHBondContact OG-O 2.96Å; S161-G163 VanDerWaalsContact OG-O 3.12Å; G163-L165 PolarHBondContact O-N 2.73Å; G163-G215 VanDerWaalsContact O-O 3.08Å |
| 164 | R | 74.7 | Confident | 69.9 | Low | 89 Ų | 89 | 43.3 Ų | 43.3 | 34% | 0.336 | 22% | 0.216 | S | C | . | . | trans | -58.9 | 117.1 | 178.2 | -158.8 | 177.1 | -143.8 | 177.6 | 6.7 | 111 | S130 E131 S132 Y166 N216 | S130-R164 WeakPolarHBondContact CA-O 3.4Å; S130-R164 PolarHBondContact OG-O 2.77Å; E131-R164 PolarHBondContact N-O 2.87Å; S132-R164 PolarHBondContact OG-N 3.39Å; R164-Y166 HydrophobicContact CG-CE2 4.24Å; R164-N216 WeakPolarHBondContact CA-O 3.17Å; R164-N216 HydrophobicContact CG-CB 4.35Å | ||
| 165 | L | 72.6 | Confident | 68.7 | Low | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 137 | -177.8 | -81.4 | 163 | 0 | 0 | 0 | 110 | L128 F129 L135 G163 L214 N216 V217 T218 | L128-L165 HydrophobicContact CD1-CD2 4.18Å; L128-L165 HydrophobicContact CD2-CD2 4.36Å; L128-L165 HydrophobicContact CG-CD2 4.02Å; F129-L165 WeakPolarHBondContact O-CA 3.45Å; L135-L165 HydrophobicContact CD1-CD1 4.33Å; G163-L165 PolarHBondContact O-N 2.73Å; L165-L214 HydrophobicContact CD1-CB 3.86Å; L165-L214 HydrophobicContact CD1-CD1 4.16Å; L165-L214 HydrophobicContact CD1-CD2 3.68Å; L165-L214 HydrophobicContact CD1-CG 4.1Å; L165-N216 PolarHBondContact N-O 3.43Å; L165-V217 HydrophobicContact CB-CG2 4.24Å; L165-V217 HydrophobicContact CD1-CG2 4.45Å; L165-V217 CarbonylContact O-C 3.56Å; L165-V217 VanDerWaalsContact O-CA 3.28Å; L165-V217 WeakPolarHBondContact O-CA 3.35Å; L165-T218 PolarHBondContact O-N 3.11Å |
| 166 | Y | 73.7 | Confident | 67.4 | Low | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136.4 | 170.2 | -54.4 | -105.2 | 0 | 0 | 0 | 110.1 | L128 F129 E131 R164 T218 Y296 | L128-Y166 WeakPolarHBondContact CA-O 3.47Å; F129-Y166 HydrophobicContact CD1-CD2 4.13Å; F129-Y166 HydrophobicContact CD1-CG 4.32Å; F129-Y166 HydrophobicContact CD2-CD2 4.25Å; F129-Y166 VanDerWaalsContact CE1-CB 3.41Å; F129-Y166 HydrophobicContact CE1-CD1 4.43Å; F129-Y166 AromaticContact CE1-CD2 3.43Å; F129-Y166 HydrophobicContact CE1-CD2 3.43Å; F129-Y166 VanDerWaalsContact CE1-CD2 3.43Å; F129-Y166 HydrophobicContact CE1-CE2 4.27Å; F129-Y166 AromaticContact CE1-CG 3.52Å; F129-Y166 HydrophobicContact CE1-CG 3.52Å; F129-Y166 AromaticContact CE2-CD2 3.6Å; F129-Y166 HydrophobicContact CE2-CD2 3.6Å; F129-Y166 AromaticContact CE2-CE2 3.83Å; F129-Y166 HydrophobicContact CE2-CE2 3.83Å; F129-Y166 HydrophobicContact CE2-CG 4.49Å; F129-Y166 HydrophobicContact CZ-CD1 4.39Å; F129-Y166 AromaticContact CZ-CD2 3.11Å; F129-Y166 HydrophobicContact CZ-CD2 3.11Å; F129-Y166 AromaticContact CZ-CE2 3.52Å; F129-Y166 HydrophobicContact CZ-CE2 3.52Å; F129-Y166 AromaticContact CZ-CG 3.62Å; F129-Y166 HydrophobicContact CZ-CG 3.62Å; F129-Y166 PolarHBondContact N-O 2.87Å; F129-Y166 PolarHBondContact O-N 2.84Å; E131-Y166 HydrophobicContact CG-CE2 3.89Å; E131-Y166 PolarHBondContact OE2-OH 3.42Å; E131-Y166 VanDerWaalsContact OE2-OH 3.09Å; R164-Y166 HydrophobicContact CG-CE2 4.24Å; Y166-T218 WeakPolarHBondContact CA-O 3.38Å; Y166-T218 HydrophobicContact CD1-CG2 4.06Å; Y166-T218 HydrophobicContact CE1-CG2 4.38Å; Y166-Y296 AromaticContact CD1-CD2 3.88Å; Y166-Y296 HydrophobicContact CD1-CD2 3.88Å; Y166-Y296 HydrophobicContact CD1-CE2 4.35Å; Y166-Y296 AromaticContact CG-CD2 3.99Å; Y166-Y296 HydrophobicContact CG-CD2 3.99Å; Y166-Y296 HydrophobicContact CG-CE2 4.07Å |
| 167 | L | 68.6 | Low | 65.8 | Low | 41 Ų | 41 | 47.2 Ų | 47.2 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 117.8 | 179.3 | -170.3 | 85.3 | 0 | 0 | 0 | 109 | L128 L169 T218 L219 I220 | L128-L167 HydrophobicContact CB-CD1 4.44Å; L128-L167 HydrophobicContact CD1-CD1 3.63Å; L167-L169 HydrophobicContact CD2-CD1 3.95Å; L167-L169 HydrophobicContact CD2-CD2 3.89Å; L167-L169 HydrophobicContact CD2-CG 3.79Å; L167-L169 HydrophobicContact CG-CD2 4.23Å; L167-L169 HydrophobicContact CG-CG 4.23Å; L167-T218 PolarHBondContact N-O 3.46Å; L167-L219 HydrophobicContact CB-CG 4.44Å; L167-L219 HydrophobicContact CD2-CD1 3.68Å; L167-L219 HydrophobicContact CD2-CG 3.97Å; L167-L219 CarbonylContact O-C 3.55Å; L167-L219 WeakPolarHBondContact O-CA 3.45Å; L167-I220 PolarHBondContact O-N 2.88Å |
| 168 | V | 67.7 | Low | 64.2 | Low | 14 Ų | 14 | 48.6 Ų | 48.6 | 9% | 0.085 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 123.4 | 170.8 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | E127 T170 I220 Y296 | E127-V168 PolarHBondContact O-N 3.48Å; V168-T170 HydrophobicContact CG1-CG2 4.39Å; V168-I220 HydrophobicContact CG2-CB 4.13Å; V168-I220 HydrophobicContact CG2-CD1 4.25Å; V168-Y296 HydrophobicContact CG2-CD2 4.19Å; V168-Y296 HydrophobicContact CG2-CE1 4.25Å; V168-Y296 HydrophobicContact CG2-CE2 3.4Å; V168-Y296 VanDerWaalsContact CG2-CE2 3.4Å; V168-Y296 VanDerWaalsContact CG2-CZ 3.5Å |
| 169 | L | 62.5 | Low | 62.6 | Low | 58 Ų | 58 | 43.2 Ų | 43.2 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | trans | -111.1 | 121.5 | 176.1 | -67.6 | 178.4 | 0 | 0 | 0 | 109.4 | L167 F173 L219 I220 P222 | L167-L169 HydrophobicContact CD2-CD1 3.95Å; L167-L169 HydrophobicContact CD2-CD2 3.89Å; L167-L169 HydrophobicContact CD2-CG 3.79Å; L167-L169 HydrophobicContact CG-CD2 4.23Å; L167-L169 HydrophobicContact CG-CG 4.23Å; L169-F173 HydrophobicContact CD2-CD1 3.97Å; L169-F173 HydrophobicContact CD2-CE1 4.16Å; L169-L219 HydrophobicContact CD1-CD1 4.37Å; L169-L219 HydrophobicContact CD1-CD2 4.03Å; L169-L219 HydrophobicContact CD1-CG 4.38Å; L169-I220 PolarHBondContact N-O 3.03Å; L169-P222 WeakPolarHBondContact O-CD 3.33Å | ||
| 170 | T | 60.3 | Low | 60.9 | Low | 11 Ų | 11 | 43.3 Ų | 43.3 | 7% | 0.067 | 23% | 0.226 | C | C | . | . | trans | -113.5 | 153.1 | 170.7 | 62.9 | 0 | 0 | 0 | 0 | 109.8 | V168 R172 F173 P222 | V168-T170 HydrophobicContact CG1-CG2 4.39Å; T170-R172 PolarHBondContact O-N 3.11Å; T170-F173 WeakPolarHBondContact O-CB 3.15Å; T170-F173 PolarHBondContact O-N 3.22Å; T170-P222 HydrophobicContact CG2-CG 4.39Å | ||
| 171 | S | 53.6 | Low | 59.3 | Low | 28 Ų | 28 | 46.6 Ų | 46.6 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -51.9 | -38.7 | 179.5 | 60 | 0 | 0 | 0 | 0 | 113.5 | N386 | S171-N386 PolarHBondContact O-ND2 3.15Å |
| 172 | R | 51.4 | Low | 57.9 | Low | 112 Ų | 112 | 51.5 Ų | 51.5 | 42% | 0.423 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.5 | -27.1 | 178.7 | -68.1 | -153.9 | -171.3 | 166.2 | 0.2 | 114.3 | L124 T170 N176 | L124-R172 HydrophobicContact CD2-CB 4.1Å; L124-R172 HydrophobicContact CD2-CG 4.14Å; T170-R172 PolarHBondContact O-N 3.11Å; R172-N176 WeakPolarHBondContact O-CB 3.43Å; R172-N176 VanDerWaalsContact O-CG 3.29Å; R172-N176 PolarHBondContact O-N 2.91Å |
| 173 | F | 50.2 | Low | 57 | Low | 54 Ų | 54 | 47 Ų | 47 | 24% | 0.237 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -50 | -178.2 | 171.8 | -110.2 | 0 | 0 | 0 | 112.2 | L111 A126 L169 T170 N176 V177 | L111-F173 HydrophobicContact CB-CE2 4.3Å; L111-F173 HydrophobicContact CD2-CD2 3.91Å; L111-F173 HydrophobicContact CD2-CE2 3.71Å; A126-F173 HydrophobicContact CB-CB 4.15Å; A126-F173 HydrophobicContact CB-CD1 3.88Å; A126-F173 HydrophobicContact CB-CD2 3.04Å; A126-F173 HydrophobicContact CB-CE1 3.97Å; A126-F173 HydrophobicContact CB-CE2 3.13Å; A126-F173 HydrophobicContact CB-CG 3.42Å; A126-F173 VanDerWaalsContact CB-CG 3.42Å; A126-F173 HydrophobicContact CB-CZ 3.61Å; L169-F173 HydrophobicContact CD2-CD1 3.97Å; L169-F173 HydrophobicContact CD2-CE1 4.16Å; T170-F173 WeakPolarHBondContact O-CB 3.15Å; T170-F173 PolarHBondContact O-N 3.22Å; F173-N176 PolarHBondContact O-N 3.12Å; F173-V177 HydrophobicContact CD2-CG2 3.63Å; F173-V177 HydrophobicContact CE2-CG2 3.4Å; F173-V177 VanDerWaalsContact CE2-CG2 3.4Å; F173-V177 HydrophobicContact CG-CG2 4.34Å; F173-V177 HydrophobicContact CZ-CG2 3.93Å; F173-V177 VanDerWaalsContact O-CB 3.27Å; F173-V177 WeakPolarHBondContact O-CB 3.46Å; F173-V177 WeakPolarHBondContact O-CG2 3.47Å; F173-V177 PolarHBondContact O-N 2.76Å |
| 174 | G | 51.1 | Low | 55.9 | Low | 29 Ų | 29 | 50.3 Ų | 50.3 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | N178 | G174-N178 WeakPolarHBondContact O-CB 3.49Å; G174-N178 PolarHBondContact O-N 2.88Å |
| 175 | L | 49.2 | Very low | 54.6 | Low | 69 Ų | 69 | 48.4 Ų | 48.4 | 36% | 0.361 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.9 | -53.2 | 176.5 | -102.3 | 159.7 | 0 | 0 | 0 | 112.4 | N178 S179 N386 | L175-N178 PolarHBondContact O-N 2.83Å; L175-S179 VanDerWaalsContact O-CB 3.23Å; L175-S179 WeakPolarHBondContact O-CB 3.48Å; L175-S179 PolarHBondContact O-N 2.79Å; L175-S179 PolarHBondContact O-OG 3.47Å; L175-S179 VanDerWaalsContact O-OG 3.12Å; L175-N386 PolarHBondContact N-OD1 2.85Å |
| 176 | N | 48.2 | Very low | 53.6 | Low | 24 Ų | 24 | 53.4 Ų | 53.4 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.6 | -36.3 | -174.7 | -78.9 | -7.6 | 0 | 0 | 0 | 113.1 | Y74 D113 R172 F173 S179 F180 | Y74-N176 HydrophobicContact CD1-CB 3.7Å; Y74-N176 HydrophobicContact CE1-CB 3.42Å; Y74-N176 VanDerWaalsContact CE1-CB 3.42Å; Y74-N176 HydrophobicContact CG-CB 4.41Å; Y74-N176 PolarHBondContact OH-ND2 2.74Å; D113-N176 PolarHBondContact OD2-ND2 2.81Å; R172-N176 WeakPolarHBondContact O-CB 3.43Å; R172-N176 VanDerWaalsContact O-CG 3.29Å; R172-N176 PolarHBondContact O-N 2.91Å; F173-N176 PolarHBondContact O-N 3.12Å; N176-S179 WeakPolarHBondContact CA-OG 3.35Å; N176-S179 PolarHBondContact O-OG 3.41Å; N176-S179 VanDerWaalsContact O-OG 3.11Å; N176-F180 WeakPolarHBondContact O-CB 3.48Å; N176-F180 PolarHBondContact O-N 2.75Å |
| 177 | V | 48.4 | Very low | 52.5 | Low | 35 Ų | 35 | 57.5 Ų | 57.5 | 21% | 0.212 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.8 | -44.3 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | L111 F173 F180 F181 | L111-V177 HydrophobicContact CD2-CG2 3.6Å; F173-V177 HydrophobicContact CD2-CG2 3.63Å; F173-V177 HydrophobicContact CE2-CG2 3.4Å; F173-V177 VanDerWaalsContact CE2-CG2 3.4Å; F173-V177 HydrophobicContact CG-CG2 4.34Å; F173-V177 HydrophobicContact CZ-CG2 3.93Å; F173-V177 VanDerWaalsContact O-CB 3.27Å; F173-V177 WeakPolarHBondContact O-CB 3.46Å; F173-V177 WeakPolarHBondContact O-CG2 3.47Å; F173-V177 PolarHBondContact O-N 2.76Å; V177-F180 PolarHBondContact O-N 3.24Å; V177-F181 HydrophobicContact CG1-CD2 3.55Å; V177-F181 HydrophobicContact CG1-CE2 3.48Å; V177-F181 VanDerWaalsContact CG1-CE2 3.48Å; V177-F181 WeakPolarHBondContact O-CD2 3.32Å; V177-F181 PolarHBondContact O-N 3.03Å |
| 178 | N | 49.2 | Very low | 51.5 | Low | 68 Ų | 68 | 59.8 Ų | 59.8 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 179.5 | -158.1 | 32 | 0 | 0 | 0 | 111.2 | G174 L175 F181 Q182 | G174-N178 WeakPolarHBondContact O-CB 3.49Å; G174-N178 PolarHBondContact O-N 2.88Å; L175-N178 PolarHBondContact O-N 2.83Å; N178-F181 PolarHBondContact O-N 2.81Å; N178-Q182 WeakPolarHBondContact O-CB 3.35Å; N178-Q182 PolarHBondContact O-N 2.84Å |
| 179 | S | 49.3 | Very low | 50.5 | Low | 21 Ų | 21 | 60.8 Ų | 60.8 | 15% | 0.147 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 174.7 | 72.4 | 0 | 0 | 0 | 0 | 112.2 | L175 N176 L183 | L175-S179 VanDerWaalsContact O-CB 3.23Å; L175-S179 WeakPolarHBondContact O-CB 3.48Å; L175-S179 PolarHBondContact O-N 2.79Å; L175-S179 PolarHBondContact O-OG 3.47Å; L175-S179 VanDerWaalsContact O-OG 3.12Å; N176-S179 WeakPolarHBondContact CA-OG 3.35Å; N176-S179 PolarHBondContact O-OG 3.41Å; N176-S179 VanDerWaalsContact O-OG 3.11Å; S179-L183 VanDerWaalsContact O-CB 3.29Å; S179-L183 WeakPolarHBondContact O-CB 3.49Å; S179-L183 PolarHBondContact O-N 2.87Å |
| 180 | F | 49.7 | Very low | 49.9 | Very low | 33 Ų | 33 | 61.6 Ų | 61.6 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -49.3 | 172.7 | 171.2 | -106.3 | 0 | 0 | 0 | 112.2 | V72 P73 N176 V177 L183 I184 | V72-F180 HydrophobicContact CG1-CD1 3.78Å; V72-F180 HydrophobicContact CG1-CD2 3.45Å; V72-F180 VanDerWaalsContact CG1-CD2 3.45Å; V72-F180 HydrophobicContact CG1-CE1 3.63Å; V72-F180 HydrophobicContact CG1-CE2 3.31Å; V72-F180 HydrophobicContact CG1-CG 3.67Å; V72-F180 HydrophobicContact CG1-CZ 3.37Å; P73-F180 WeakPolarHBondContact O-CD2 3.36Å; N176-F180 WeakPolarHBondContact O-CB 3.48Å; N176-F180 PolarHBondContact O-N 2.75Å; V177-F180 PolarHBondContact O-N 3.24Å; F180-L183 PolarHBondContact O-N 2.95Å; F180-I184 HydrophobicContact CD1-CD1 4.2Å; F180-I184 HydrophobicContact CD2-CD1 4.37Å; F180-I184 HydrophobicContact CE1-CD1 3.45Å; F180-I184 VanDerWaalsContact CE1-CD1 3.45Å; F180-I184 HydrophobicContact CE1-CG1 4.43Å; F180-I184 HydrophobicContact CE2-CD1 3.64Å; F180-I184 HydrophobicContact CE2-CG1 4.08Å; F180-I184 HydrophobicContact CZ-CD1 3.13Å; F180-I184 HydrophobicContact CZ-CG1 4.06Å; F180-I184 PolarHBondContact O-N 2.76Å |
| 181 | F | 48.2 | Very low | 49.1 | Very low | 122 Ų | 122 | 64.2 Ų | 64.2 | 54% | 0.535 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.5 | -35.5 | 179.1 | -78.4 | -61.3 | 0 | 0 | 0 | 112.7 | V177 N178 I184 A185 | V177-F181 HydrophobicContact CG1-CD2 3.55Å; V177-F181 HydrophobicContact CG1-CE2 3.48Å; V177-F181 VanDerWaalsContact CG1-CE2 3.48Å; V177-F181 WeakPolarHBondContact O-CD2 3.32Å; V177-F181 PolarHBondContact O-N 3.03Å; N178-F181 PolarHBondContact O-N 2.81Å; F181-I184 PolarHBondContact O-N 3.42Å; F181-A185 WeakPolarHBondContact O-CB 3.45Å; F181-A185 PolarHBondContact O-N 3.27Å |
| 182 | Q | 50 | Low | 48.7 | Very low | 111 Ų | 111 | 64.6 Ų | 64.6 | 52% | 0.519 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 169.7 | -87.5 | -170 | -21.6 | 0 | 0 | 111.3 | N178 I184 A185 D186 | N178-Q182 WeakPolarHBondContact O-CB 3.35Å; N178-Q182 PolarHBondContact O-N 2.84Å; Q182-I184 VanDerWaalsContact C-N 3.34Å; Q182-I184 PolarHBondContact O-N 3.38Å; Q182-A185 PolarHBondContact O-N 3.22Å; Q182-A185 VanDerWaalsContact O-N 3.16Å; Q182-D186 WeakPolarHBondContact O-CB 3.21Å; Q182-D186 PolarHBondContact O-N 2.85Å |
| 183 | L | 48.7 | Very low | 48.6 | Very low | 54 Ų | 54 | 64.1 Ų | 64.1 | 28% | 0.283 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.6 | -33.9 | 178.8 | -167 | 117.9 | 0 | 0 | 0 | 112.3 | A75 S179 F180 R187 | A75-L183 HydrophobicContact CB-CB 3.57Å; A75-L183 HydrophobicContact CB-CD1 3.37Å; A75-L183 HydrophobicContact CB-CD2 4.31Å; A75-L183 HydrophobicContact CB-CG 3.89Å; S179-L183 VanDerWaalsContact O-CB 3.29Å; S179-L183 WeakPolarHBondContact O-CB 3.49Å; S179-L183 PolarHBondContact O-N 2.87Å; F180-L183 PolarHBondContact O-N 2.95Å; L183-R187 HydrophobicContact CD2-CG 4.47Å; L183-R187 VanDerWaalsContact O-CB 3.24Å; L183-R187 WeakPolarHBondContact O-CB 3.26Å; L183-R187 WeakPolarHBondContact O-CG 3.37Å; L183-R187 PolarHBondContact O-N 2.89Å |
| 184 | I | 47 | Very low | 48.3 | Very low | 70 Ų | 70 | 68.4 Ų | 68.4 | 36% | 0.359 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 169.2 | -75.9 | -175.5 | 0 | 0 | 0 | 110.7 | F180 F181 Q182 R187 Y188 | F180-I184 HydrophobicContact CD1-CD1 4.2Å; F180-I184 HydrophobicContact CD2-CD1 4.37Å; F180-I184 HydrophobicContact CE1-CD1 3.45Å; F180-I184 VanDerWaalsContact CE1-CD1 3.45Å; F180-I184 HydrophobicContact CE1-CG1 4.43Å; F180-I184 HydrophobicContact CE2-CD1 3.64Å; F180-I184 HydrophobicContact CE2-CG1 4.08Å; F180-I184 HydrophobicContact CZ-CD1 3.13Å; F180-I184 HydrophobicContact CZ-CG1 4.06Å; F180-I184 PolarHBondContact O-N 2.76Å; F181-I184 PolarHBondContact O-N 3.42Å; Q182-I184 VanDerWaalsContact C-N 3.34Å; Q182-I184 PolarHBondContact O-N 3.38Å; I184-R187 PolarHBondContact O-N 2.88Å; I184-Y188 WeakPolarHBondContact O-CA 3.41Å; I184-Y188 WeakPolarHBondContact O-CB 3.35Å; I184-Y188 PolarHBondContact O-N 3.42Å |
| 185 | A | 47.2 | Very low | 47.8 | Very low | 49 Ų | 49 | 73.4 Ų | 73.4 | 41% | 0.405 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.5 | -46 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | F181 Q182 Y188 C189 | F181-A185 WeakPolarHBondContact O-CB 3.45Å; F181-A185 PolarHBondContact O-N 3.27Å; Q182-A185 PolarHBondContact O-N 3.22Å; Q182-A185 VanDerWaalsContact O-N 3.16Å; A185-Y188 PolarHBondContact O-N 2.94Å; A185-C189 WeakPolarHBondContact O-CB 3.41Å; A185-C189 PolarHBondContact O-N 2.81Å; A185-C189 PolarHBondContact O-SG 2.85Å |
| 186 | D | 51 | Low | 47.5 | Very low | 106 Ų | 106 | 72.1 Ų | 72.1 | 57% | 0.567 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.9 | -44.3 | 176 | -82.9 | -4.9 | 0 | 0 | 0 | 111.5 | Q182 Y188 C189 T190 | Q182-D186 WeakPolarHBondContact O-CB 3.21Å; Q182-D186 PolarHBondContact O-N 2.85Å; D186-Y188 VanDerWaalsContact C-N 3.34Å; D186-C189 PolarHBondContact O-N 3.11Å; D186-T190 WeakPolarHBondContact O-CB 3.36Å; D186-T190 PolarHBondContact O-N 3.3Å; D186-T190 PolarHBondContact O-OG1 3.44Å |
| 187 | R | 50.9 | Low | 47 | Very low | 98 Ų | 98 | 83.4 Ų | 83.4 | 37% | 0.37 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.1 | -34.8 | 174.3 | -79.1 | -156.8 | -172.4 | -162.3 | 4.6 | 112.1 | D36 L39 L183 I184 T190 F191 | D36-R187 IonicContact OD1-CZ 2.88Å; D36-R187 IonicContact OD1-NH1 3.81Å; D36-R187 PolarHBondContact OD1-NH1 2.94Å; D36-R187 IonicContact OD2-NH1 3.97Å; D36-R187 PolarHBondContact OD2-NH1 2.95Å; L39-R187 HydrophobicContact CD1-CB 4.46Å; L183-R187 HydrophobicContact CD2-CG 4.47Å; L183-R187 VanDerWaalsContact O-CB 3.24Å; L183-R187 WeakPolarHBondContact O-CB 3.26Å; L183-R187 WeakPolarHBondContact O-CG 3.37Å; L183-R187 PolarHBondContact O-N 2.89Å; I184-R187 PolarHBondContact O-N 2.88Å; R187-T190 PolarHBondContact O-N 2.8Å; R187-F191 WeakPolarHBondContact O-CB 3.25Å; R187-F191 PolarHBondContact O-N 2.8Å |
| 188 | Y | 47.3 | Very low | 46.5 | Very low | 90 Ų | 90 | 86.4 Ų | 86.4 | 35% | 0.353 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 174.6 | -172.2 | -105 | 0 | 0 | 0 | 110.5 | L39 I184 A185 D186 F191 L192 | L39-Y188 HydrophobicContact CD2-CD2 4.19Å; I184-Y188 WeakPolarHBondContact O-CA 3.41Å; I184-Y188 WeakPolarHBondContact O-CB 3.35Å; I184-Y188 PolarHBondContact O-N 3.42Å; A185-Y188 PolarHBondContact O-N 2.94Å; D186-Y188 VanDerWaalsContact C-N 3.34Å; Y188-F191 CarbonylContact O-C 3.51Å; Y188-F191 PolarHBondContact O-N 3Å; Y188-L192 HydrophobicContact CD1-CD1 3.64Å; Y188-L192 HydrophobicContact CD1-CG 4.21Å; Y188-L192 HydrophobicContact CE1-CD1 3.44Å; Y188-L192 VanDerWaalsContact CE1-CD1 3.44Å; Y188-L192 HydrophobicContact CE1-CD2 4.48Å; Y188-L192 HydrophobicContact CE1-CG 4.02Å; Y188-L192 WeakPolarHBondContact O-CB 3.35Å; Y188-L192 VanDerWaalsContact O-CG 3.3Å; Y188-L192 WeakPolarHBondContact O-CG 3.05Å; Y188-L192 PolarHBondContact O-N 3.02Å |
| 189 | C | 47.2 | Very low | 46 | Very low | 34 Ų | 34 | 88 Ų | 88 | 23% | 0.23 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 170.4 | -77.3 | 0 | 0 | 0 | 0 | 111.6 | A185 D186 F191 L192 Q193 S203 | A185-C189 WeakPolarHBondContact O-CB 3.41Å; A185-C189 PolarHBondContact O-N 2.81Å; A185-C189 PolarHBondContact O-SG 2.85Å; D186-C189 PolarHBondContact O-N 3.11Å; C189-F191 VanDerWaalsContact C-N 3.31Å; C189-F191 PolarHBondContact O-N 2.83Å; C189-L192 PolarHBondContact O-N 2.84Å; C189-Q193 WeakPolarHBondContact O-CB 3.47Å; C189-Q193 VanDerWaalsContact O-CG 3.27Å; C189-Q193 WeakPolarHBondContact O-CG 3.39Å; C189-Q193 PolarHBondContact O-N 3.13Å; C189-S203 PolarHBondContact SG-OG 3.07Å |
| 190 | T | 48.7 | Very low | 45.4 | Very low | 75 Ų | 75 | 88.8 Ų | 88.8 | 46% | 0.46 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 176.1 | -48.4 | 0 | 0 | 0 | 0 | 111.2 | D186 R187 Q193 L194 | D186-T190 WeakPolarHBondContact O-CB 3.36Å; D186-T190 PolarHBondContact O-N 3.3Å; D186-T190 PolarHBondContact O-OG1 3.44Å; R187-T190 PolarHBondContact O-N 2.8Å; T190-Q193 WeakPolarHBondContact O-CB 3.45Å; T190-Q193 PolarHBondContact O-N 3.45Å; T190-L194 PolarHBondContact O-N 2.8Å |
| 191 | F | 45.2 | Very low | 44.9 | Very low | 66 Ų | 66 | 94.2 Ų | 94.2 | 29% | 0.289 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.6 | -38.9 | 176.3 | -176.1 | -95.7 | 0 | 0 | 0 | 112.1 | R187 Y188 C189 Q193 L194 K195 | R187-F191 WeakPolarHBondContact O-CB 3.25Å; R187-F191 PolarHBondContact O-N 2.8Å; Y188-F191 CarbonylContact O-C 3.51Å; Y188-F191 PolarHBondContact O-N 3Å; C189-F191 VanDerWaalsContact C-N 3.31Å; C189-F191 PolarHBondContact O-N 2.83Å; F191-Q193 VanDerWaalsContact C-N 3.35Å; F191-L194 WeakPolarHBondContact O-CB 3.36Å; F191-L194 PolarHBondContact O-N 2.88Å; F191-K195 HydrophobicContact CE1-CD 4.18Å; F191-K195 PolarHBondContact O-N 3.44Å |
| 192 | L | 45.5 | Very low | 44.8 | Very low | 36 Ų | 36 | 94.7 Ų | 94.7 | 19% | 0.188 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 171.3 | -76.5 | 172.4 | 0 | 0 | 0 | 111 | E145 Y188 C189 L194 K195 S196 | E145-L192 WeakPolarHBondContact OE1-CD1 3.39Å; Y188-L192 HydrophobicContact CD1-CD1 3.64Å; Y188-L192 HydrophobicContact CD1-CG 4.21Å; Y188-L192 HydrophobicContact CE1-CD1 3.44Å; Y188-L192 VanDerWaalsContact CE1-CD1 3.44Å; Y188-L192 HydrophobicContact CE1-CD2 4.48Å; Y188-L192 HydrophobicContact CE1-CG 4.02Å; Y188-L192 WeakPolarHBondContact O-CB 3.35Å; Y188-L192 VanDerWaalsContact O-CG 3.3Å; Y188-L192 WeakPolarHBondContact O-CG 3.05Å; Y188-L192 PolarHBondContact O-N 3.02Å; C189-L192 PolarHBondContact O-N 2.84Å; L192-L194 VanDerWaalsContact C-N 3.27Å; L192-L194 PolarHBondContact O-N 3.03Å; L192-K195 PolarHBondContact O-N 3.12Å; L192-S196 PolarHBondContact O-N 3.31Å; L192-S196 PolarHBondContact O-OG 3.18Å |
| 193 | Q | 47.8 | Very low | 44.6 | Very low | 103 Ų | 103 | 91 Ų | 91 | 48% | 0.481 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -31.9 | 171.6 | -74.2 | 178.2 | 5.2 | 0 | 0 | 112.3 | C189 T190 F191 S196 | C189-Q193 WeakPolarHBondContact O-CB 3.47Å; C189-Q193 VanDerWaalsContact O-CG 3.27Å; C189-Q193 WeakPolarHBondContact O-CG 3.39Å; C189-Q193 PolarHBondContact O-N 3.13Å; T190-Q193 WeakPolarHBondContact O-CB 3.45Å; T190-Q193 PolarHBondContact O-N 3.45Å; F191-Q193 VanDerWaalsContact C-N 3.35Å; Q193-S196 CarbonylContact O-C 3.51Å |
| 194 | L | 43.7 | Very low | 45 | Very low | 144 Ų | 144 | 92.4 Ų | 92.4 | 75% | 0.754 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -73 | -30.8 | 171.4 | -78.3 | 164.8 | 0 | 0 | 0 | 112.7 | T190 F191 L192 | T190-L194 PolarHBondContact O-N 2.8Å; F191-L194 WeakPolarHBondContact O-CB 3.36Å; F191-L194 PolarHBondContact O-N 2.88Å; L192-L194 VanDerWaalsContact C-N 3.27Å; L192-L194 PolarHBondContact O-N 3.03Å |
| 195 | K | 41.9 | Very low | 45.4 | Very low | 133 Ų | 133 | 90.2 Ų | 90.2 | 58% | 0.578 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -80.1 | -31 | 178.3 | -115.5 | 179.7 | -174.3 | 169.1 | 0 | 113.1 | D43 F191 L192 | D43-K195 IonicContact OD1-NZ 3.22Å; D43-K195 PolarHBondContact OD1-NZ 3.45Å; D43-K195 IonicContact OD2-NZ 3.15Å; D43-K195 PolarHBondContact OD2-NZ 3.09Å; F191-K195 HydrophobicContact CE1-CD 4.18Å; F191-K195 PolarHBondContact O-N 3.44Å; L192-K195 PolarHBondContact O-N 3.12Å |
| 196 | S | 41.3 | Very low | 46.1 | Very low | 43 Ų | 43 | 92.4 Ų | 92.4 | 30% | 0.301 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -118.3 | 117.1 | 174.6 | 66.9 | 0 | 0 | 0 | 0 | 110.4 | L192 Q193 T198 | L192-S196 PolarHBondContact O-N 3.31Å; L192-S196 PolarHBondContact O-OG 3.18Å; Q193-S196 CarbonylContact O-C 3.51Å; S196-T198 PolarHBondContact O-N 2.72Å |
| 197 | R | 38.8 | Very low | 47.2 | Very low | 260 Ų | 260 | 87.8 Ų | 87.8 | 98% | 0.981 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -65.4 | 31.2 | 171 | -74.7 | -171.5 | 173.9 | -174.7 | -1.4 | 113.9 | ||
| 198 | T | 38.2 | Very low | 48.1 | Very low | 99 Ų | 99 | 85.4 Ų | 85.4 | 61% | 0.607 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -128.2 | 128.5 | 178.8 | 45.2 | 0 | 0 | 0 | 0 | 108.1 | S196 C200 | S196-T198 PolarHBondContact O-N 2.72Å; T198-C200 PolarHBondContact O-N 2.77Å |
| 199 | S | 38.7 | Very low | 49.8 | Very low | 102 Ų | 102 | 83.6 Ų | 83.6 | 71% | 0.713 | 43% | 0.433 | S | S | * | . | trans | -52.7 | 99.3 | 172.4 | 47.4 | 0 | 0 | 0 | 0 | 110.5 | L201 | S199-L201 VanDerWaalsContact C-N 3.31Å; S199-L201 PolarHBondContact O-N 3.27Å | ||
| 200 | C | 37.2 | Very low | 51.4 | Low | 36 Ų | 36 | 83.3 Ų | 83.3 | 24% | 0.243 | 43% | 0.429 | C | S | . | . | trans | -79.4 | 87.7 | 171.6 | -159.3 | 0 | 0 | 0 | 0 | 108 | T198 | T198-C200 PolarHBondContact O-N 2.77Š| ||
| 201 | L | 39.2 | Very low | 53.1 | Low | 147 Ų | 147 | 81.5 Ų | 81.5 | 77% | 0.77 | 42% | 0.417 | S | S | * | . | trans | -78.3 | -5.9 | 165.5 | -94.4 | 146.8 | 0 | 0 | 0 | 112 | S199 | S199-L201 VanDerWaalsContact C-N 3.31Å; S199-L201 PolarHBondContact O-N 3.27Å | ||
| 202 | D | 45 | Very low | 54.9 | Low | 132 Ų | 132 | 78.4 Ų | 78.4 | 71% | 0.706 | 40% | 0.403 | S | S | * | . | trans | -114.6 | 34.6 | -170.1 | -56.4 | -33 | 0 | 0 | 0 | 114 | ||||
| 203 | S | 46.8 | Very low | 56.8 | Low | 34 Ų | 34 | 82.1 Ų | 82.1 | 24% | 0.238 | 42% | 0.42 | C | S | . | . | trans | -90.9 | 108.5 | 171.7 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | C189 | C189-S203 PolarHBondContact SG-OG 3.07Š| ||
| 204 | F | 55.9 | Low | 58.5 | Low | 83 Ų | 83 | 77.9 Ų | 77.9 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 151.8 | 166.9 | -65.4 | -80.8 | 0 | 0 | 0 | 111.1 | L149 L264 | L149-F204 HydrophobicContact CD1-CD2 4.19Å; L149-F204 HydrophobicContact CD1-CE1 4.26Å; L149-F204 HydrophobicContact CD1-CE2 3.83Å; L149-F204 HydrophobicContact CD1-CZ 3.87Å; L149-F204 HydrophobicContact CD2-CD2 4.03Å; L149-F204 HydrophobicContact CD2-CE2 4.44Å; L149-F204 HydrophobicContact CD2-CG 4.31Å; L149-F204 HydrophobicContact CG-CD2 4.35Å; L149-F204 HydrophobicContact CG-CE2 4.27Å; F204-L264 HydrophobicContact CB-CD2 3.72Å; F204-L264 HydrophobicContact CD1-CB 3.84Å; F204-L264 HydrophobicContact CD1-CD2 3.75Å; F204-L264 HydrophobicContact CD1-CG 4.42Å; F204-L264 HydrophobicContact CE1-CB 4.23Å; F204-L264 HydrophobicContact CG-CD2 4Å |
| 205 | G | 56.2 | Low | 60.3 | Low | 24 Ų | 24 | 71.9 Ų | 71.9 | 25% | 0.247 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 152.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R207 L323 | G205-R207 PolarHBondContact O-N 2.88Å; G205-L323 PolarHBondContact N-O 3.03Å |
| 206 | F | 61.9 | Low | 62.3 | Low | 96 Ų | 96 | 68.5 Ų | 68.5 | 42% | 0.421 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 116.5 | -179.8 | 177.3 | -108.6 | 0 | 0 | 0 | 111.9 | K141 D154 L208 | K141-F206 HydrophobicContact CD-CE2 4.37Å; K141-F206 HydrophobicContact CG-CE2 4.25Å; K141-F206 HydrophobicContact CG-CZ 4.46Å; D154-F206 HydrophobicContact CB-CD2 3.84Å; D154-F206 HydrophobicContact CB-CE2 3.8Å; F206-L208 HydrophobicContact CD1-CB 4.09Å; F206-L208 HydrophobicContact CE1-CB 3.84Å; F206-L208 HydrophobicContact CE1-CD1 3.95Å; F206-L208 HydrophobicContact CE1-CG 4.39Å; F206-L208 HydrophobicContact CZ-CD1 4.47Å; F206-L208 PolarHBondContact O-N 2.9Å |
| 207 | R | 73.3 | Confident | 64.2 | Low | 9 Ų | 9 | 66.6 Ų | 66.6 | 3% | 0.034 | 35% | 0.348 | C | S | . | . | trans | -82.2 | 97.3 | 179 | -62 | 174.6 | -64 | 166.5 | 4.8 | 110.4 | D146 R151 D154 G155 G205 S244 L264 L323 | D146-R207 IonicContact OD2-CZ 3.61Å; D146-R207 IonicContact OD2-NH1 2.67Å; D146-R207 IonicContact OD2-NH2 3.94Å; D146-R207 PolarHBondContact OD2-NH2 3.16Å; R151-R207 PolarHBondContact O-NH1 3.49Å; R151-R207 PolarHBondContact O-NH2 3.22Å; D154-R207 PolarHBondContact N-O 3.36Å; D154-R207 IonicContact OD1-CZ 2.77Å; D154-R207 IonicContact OD1-NE 3.89Å; D154-R207 IonicContact OD1-NH2 3.77Å; D154-R207 PolarHBondContact OD1-NH2 2.83Å; D154-R207 WeakPolarHBondContact OD2-CB 3.49Å; D154-R207 IonicContact OD2-CZ 3.57Å; D154-R207 PolarHBondContact OD2-N 3.06Å; D154-R207 IonicContact OD2-NE 2.72Å; D154-R207 PolarHBondContact OD2-NE 3.2Å; D154-R207 IonicContact OD2-NH2 2.93Å; G155-R207 PolarHBondContact N-O 2.98Å; G205-R207 PolarHBondContact O-N 2.88Å; R207-S244 WeakPolarHBondContact CB-OG 3.22Å; R207-S244 WeakPolarHBondContact CG-OG 3.39Å; R207-L264 HydrophobicContact CG-CD2 3.96Å; R207-L323 HydrophobicContact CG-CD1 4.22Å | ||
| 208 | L | 71 | Confident | 66.3 | Low | 47 Ų | 47 | 54.4 Ų | 54.4 | 25% | 0.246 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 123.4 | 176.4 | -179.4 | 67.4 | 0 | 0 | 0 | 110.6 | F139 G155 L157 F206 S242 | F139-L208 HydrophobicContact CE2-CD1 4.39Å; G155-L208 CarbonylContact O-C 3.52Å; G155-L208 WeakPolarHBondContact O-CA 3.41Å; L157-L208 HydrophobicContact CB-CD1 4.12Å; F206-L208 HydrophobicContact CD1-CB 4.09Å; F206-L208 HydrophobicContact CE1-CB 3.84Å; F206-L208 HydrophobicContact CE1-CD1 3.95Å; F206-L208 HydrophobicContact CE1-CG 4.39Å; F206-L208 HydrophobicContact CZ-CD1 4.47Å; F206-L208 PolarHBondContact O-N 2.9Å; L208-S242 PolarHBondContact O-OG 3.2Å |
| 209 | Q | 81.8 | Confident | 68.2 | Low | 52 Ų | 52 | 50.9 Ų | 50.9 | 24% | 0.243 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 107.9 | 163.9 | -173.7 | -174.2 | 6.2 | 0 | 0 | 109.7 | F153 G155 S156 L157 | F153-Q209 HydrophobicContact CB-CB 3.87Å; F153-Q209 HydrophobicContact CD1-CB 3.89Å; F153-Q209 HydrophobicContact CD1-CG 4.46Å; F153-Q209 HydrophobicContact CD2-CB 4.43Å; F153-Q209 HydrophobicContact CG-CB 3.8Å; G155-Q209 PolarHBondContact O-N 3.14Å; S156-Q209 CarbonylContact C-O 3.51Å; S156-Q209 WeakPolarHBondContact CA-O 3.35Å; L157-Q209 PolarHBondContact N-O 3.44Å |
| 210 | L | 80.4 | Confident | 70.1 | Confident | 29 Ų | 29 | 46.2 Ų | 46.2 | 15% | 0.152 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.4 | 175.2 | -176.5 | 77 | 0 | 0 | 0 | 108.5 | L157 L240 S241 S242 | L157-L210 HydrophobicContact CB-CD1 4.15Å; L157-L210 HydrophobicContact CD2-CD1 3.74Å; L157-L210 HydrophobicContact CG-CD1 4.04Å; L157-L210 CarbonylContact O-C 3.56Å; L157-L210 WeakPolarHBondContact O-CA 3.19Å; L210-L240 HydrophobicContact CD2-CB 3.89Å; L210-L240 HydrophobicContact CD2-CD1 4.08Å; L210-L240 HydrophobicContact CG-CB 4.48Å; L210-S241 CarbonylContact O-C 3.55Å; L210-S241 VanDerWaalsContact O-C 3.29Å; L210-S241 WeakPolarHBondContact O-CA 3.46Å; L210-S242 WeakPolarHBondContact CB-OG 3.5Å; L210-S242 PolarHBondContact N-OG 2.74Å; L210-S242 PolarHBondContact O-N 3.39Å |
| 211 | D | 84.6 | Confident | 72 | Confident | 36 Ų | 36 | 45.4 Ų | 45.4 | 19% | 0.193 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 101.5 | 170.2 | -78.7 | -6.4 | 0 | 0 | 0 | 108.2 | L157 R158 L159 L240 | L157-D211 PolarHBondContact O-N 3.15Å; R158-D211 CarbonylContact C-O 3.54Å; R158-D211 WeakPolarHBondContact CA-O 3.49Å; R158-D211 HydrophobicContact CB-CB 4.3Å; R158-D211 HydrophobicContact CG-CB 4.12Å; R158-D211 IonicContact CZ-OD2 2.73Å; R158-D211 IonicContact NE-OD2 3.34Å; R158-D211 PolarHBondContact NE-OD2 2.86Å; R158-D211 IonicContact NH2-OD2 2.76Å; R158-D211 PolarHBondContact NH2-OD2 2.9Å; L159-D211 PolarHBondContact N-O 2.85Å; D211-L240 CarbonylContact C-O 3.52Å; D211-L240 WeakPolarHBondContact CA-O 3.45Å |
| 212 | A | 83.7 | Confident | 73.6 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 130.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L159 L214 T239 L240 | L159-A212 HydrophobicContact CB-CB 3.86Å; L159-A212 HydrophobicContact CD1-CB 4.4Å; L159-A212 CarbonylContact O-C 3.59Å; L159-A212 VanDerWaalsContact O-CA 3.28Å; L159-A212 WeakPolarHBondContact O-CA 3.26Å; A212-L214 HydrophobicContact CB-CG 4.28Å; A212-T239 CarbonylContact O-C 3.59Å; A212-T239 WeakPolarHBondContact O-CA 3.47Å; A212-L240 HydrophobicContact CB-CB 3.79Å; A212-L240 HydrophobicContact CB-CD1 3.94Å; A212-L240 HydrophobicContact CB-CG 4.08Å; A212-L240 PolarHBondContact N-O 3Å; A212-L240 PolarHBondContact O-N 3.42Å |
| 213 | E | 85.7 | Confident | 74.8 | Confident | 115 Ų | 115 | 32.7 Ų | 32.7 | 54% | 0.537 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 105.5 | 164.7 | -68.2 | -167.6 | 147.6 | 0 | 0 | 109.3 | L159 T160 S161 T239 | L159-E213 PolarHBondContact O-N 2.91Å; T160-E213 WeakPolarHBondContact CA-O 3.33Å; S161-E213 PolarHBondContact N-O 2.74Å; S161-E213 VanDerWaalsContact N-O 3.12Å; E213-T239 HydrophobicContact CG-CG2 4.19Å |
| 214 | L | 83.9 | Confident | 75.6 | Confident | 14 Ų | 14 | 32.6 Ų | 32.6 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.9 | -174.7 | -53.2 | 178.7 | 0 | 0 | 0 | 109.8 | L135 L159 L165 A212 V217 K237 L238 | L135-L214 HydrophobicContact CD1-CD2 3.67Å; L159-L214 HydrophobicContact CB-CD2 4.35Å; L165-L214 HydrophobicContact CD1-CB 3.86Å; L165-L214 HydrophobicContact CD1-CD1 4.16Å; L165-L214 HydrophobicContact CD1-CD2 3.68Å; L165-L214 HydrophobicContact CD1-CG 4.1Å; A212-L214 HydrophobicContact CB-CG 4.28Å; L214-V217 HydrophobicContact CB-CG2 3.6Å; L214-V217 HydrophobicContact CD1-CG2 4.47Å; L214-K237 WeakPolarHBondContact O-CA 3.34Å; L214-L238 HydrophobicContact CB-CB 4.38Å; L214-L238 HydrophobicContact CD1-CD2 4.34Å; L214-L238 PolarHBondContact N-O 3.44Å; L214-L238 PolarHBondContact O-N 2.94Å |
| 215 | G | 80.9 | Confident | 75.7 | Confident | 17 Ų | 17 | 29.9 Ų | 29.9 | 18% | 0.175 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 143 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S161 G163 | S161-G215 PolarHBondContact O-N 2.77Å; G163-G215 VanDerWaalsContact O-O 3.08Å |
| 216 | N | 83.4 | Confident | 76 | Confident | 63 Ų | 63 | 32.2 Ų | 32.2 | 34% | 0.337 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.9 | 59 | 169.5 | -156.1 | -2.5 | 0 | 0 | 0 | 113.3 | R164 L165 I235 D236 | R164-N216 WeakPolarHBondContact CA-O 3.17Å; R164-N216 HydrophobicContact CG-CB 4.35Å; L165-N216 PolarHBondContact N-O 3.43Å; N216-I235 CarbonylContact C-O 3.6Å; N216-I235 WeakPolarHBondContact CA-O 3.28Å; N216-D236 PolarHBondContact N-O 3.35Å |
| 217 | V | 82 | Confident | 76.3 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 126.3 | -178.6 | -177 | 0 | 0 | 0 | 0 | 110.2 | L165 L214 I235 L238 | L165-V217 HydrophobicContact CB-CG2 4.24Å; L165-V217 HydrophobicContact CD1-CG2 4.45Å; L165-V217 CarbonylContact O-C 3.56Å; L165-V217 VanDerWaalsContact O-CA 3.28Å; L165-V217 WeakPolarHBondContact O-CA 3.35Å; L214-V217 HydrophobicContact CB-CG2 3.6Å; L214-V217 HydrophobicContact CD1-CG2 4.47Å; V217-I235 HydrophobicContact CB-CB 4.26Å; V217-I235 HydrophobicContact CB-CD1 4.42Å; V217-I235 HydrophobicContact CG1-CD1 4.33Å; V217-I235 PolarHBondContact N-O 2.96Å; V217-I235 PolarHBondContact O-N 2.84Å; V217-L238 HydrophobicContact CG1-CD2 4.46Å; V217-L238 HydrophobicContact CG2-CB 4.07Å; V217-L238 HydrophobicContact CG2-CD2 4.43Å |
| 218 | T | 82 | Confident | 76.3 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 111.6 | 171.7 | -54.3 | 0 | 0 | 0 | 0 | 109 | L165 Y166 L167 I220 I232 K234 | L165-T218 PolarHBondContact O-N 3.11Å; Y166-T218 WeakPolarHBondContact CA-O 3.38Å; Y166-T218 HydrophobicContact CD1-CG2 4.06Å; Y166-T218 HydrophobicContact CE1-CG2 4.38Å; L167-T218 PolarHBondContact N-O 3.46Å; T218-I220 HydrophobicContact CG2-CG1 4.42Å; T218-I232 HydrophobicContact CG2-CG2 3.69Å; T218-K234 HydrophobicContact CG2-CG 4.4Å |
| 219 | L | 79.1 | Confident | 76.6 | Confident | 24 Ų | 24 | 30 Ų | 30 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123.5 | -174.2 | -160.7 | 148.1 | 0 | 0 | 0 | 109.4 | L167 L169 V221 I232 A233 I235 | L167-L219 HydrophobicContact CB-CG 4.44Å; L167-L219 HydrophobicContact CD2-CD1 3.68Å; L167-L219 HydrophobicContact CD2-CG 3.97Å; L167-L219 CarbonylContact O-C 3.55Å; L167-L219 WeakPolarHBondContact O-CA 3.45Å; L169-L219 HydrophobicContact CD1-CD1 4.37Å; L169-L219 HydrophobicContact CD1-CD2 4.03Å; L169-L219 HydrophobicContact CD1-CG 4.38Å; L219-V221 HydrophobicContact CD2-CG2 3.39Å; L219-I232 CarbonylContact O-C 3.56Å; L219-I232 WeakPolarHBondContact O-CA 3.43Å; L219-A233 HydrophobicContact CB-CB 4.32Å; L219-A233 PolarHBondContact N-O 3.09Å; L219-A233 PolarHBondContact O-N 2.8Å; L219-I235 HydrophobicContact CB-CD1 4.06Å; L219-I235 HydrophobicContact CD1-CD1 4.17Å |
| 220 | I | 77.8 | Confident | 76.4 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 113.7 | -171 | -58.3 | -176.2 | 0 | 0 | 0 | 107.7 | L167 V168 L169 T218 V230 I232 Y296 F302 | L167-I220 PolarHBondContact O-N 2.88Å; V168-I220 HydrophobicContact CG2-CB 4.13Å; V168-I220 HydrophobicContact CG2-CD1 4.25Å; L169-I220 PolarHBondContact N-O 3.03Å; T218-I220 HydrophobicContact CG2-CG1 4.42Å; I220-V230 HydrophobicContact CG2-CG1 3.34Å; I220-I232 HydrophobicContact CG1-CG1 4.43Å; I220-Y296 HydrophobicContact CD1-CD2 3.57Å; I220-Y296 HydrophobicContact CD1-CE2 4.06Å; I220-Y296 HydrophobicContact CD1-CG 4.44Å; I220-F302 HydrophobicContact CD1-CE2 3.8Å; I220-F302 HydrophobicContact CD1-CZ 4.19Å; I220-F302 HydrophobicContact CG2-CZ 4.07Å |
| 221 | V | 76.7 | Confident | 76.4 | Confident | 19 Ų | 19 | 26.6 Ų | 26.6 | 12% | 0.115 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 106.2 | 179.5 | -171.1 | 0 | 0 | 0 | 0 | 108.5 | L219 L231 I359 | L219-V221 HydrophobicContact CD2-CG2 3.39Å; V221-L231 HydrophobicContact CB-CB 4.4Å; V221-L231 PolarHBondContact N-O 2.79Å; V221-L231 PolarHBondContact O-N 2.78Å; V221-I359 HydrophobicContact CG1-CG2 3.89Å |
| 222 | P | 73.8 | Confident | 76.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 150.8 | 175.1 | 32.7 | -33.5 | 0 | 0 | 0 | 110.3 | Y122 L169 T170 N224 V230 N363 | Y122-P222 HydrophobicContact CD1-CB 4.42Å; Y122-P222 HydrophobicContact CD2-CB 3.57Å; Y122-P222 HydrophobicContact CD2-CG 3.87Å; Y122-P222 HydrophobicContact CE1-CB 4.18Å; Y122-P222 HydrophobicContact CE2-CB 3.29Å; Y122-P222 HydrophobicContact CE2-CG 4.12Å; Y122-P222 HydrophobicContact CG-CB 4.16Å; Y122-P222 HydrophobicContact CG-CG 4.17Å; L169-P222 WeakPolarHBondContact O-CD 3.33Å; T170-P222 HydrophobicContact CG2-CG 4.39Å; P222-N224 WeakPolarHBondContact CB-O 3.14Å; P222-N224 PolarHBondContact O-N 2.73Å; P222-V230 HydrophobicContact CB-CG2 4.36Å; P222-N363 PolarHBondContact O-ND2 2.82Å |
| 223 | E | 71.1 | Confident | 76.2 | Confident | 12 Ų | 12 | 25.3 Ų | 25.3 | 6% | 0.056 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -56.4 | -39.4 | 175.8 | -172 | 179.8 | -170.5 | 0 | 0 | 110.2 | S227 N229 R358 N363 | E223-S227 PolarHBondContact OE2-OG 2.76Å; E223-N229 HydrophobicContact CB-CB 4.15Å; E223-N229 PolarHBondContact N-O 3.31Å; E223-N229 VanDerWaalsContact OE2-CB 3.28Å; E223-N229 WeakPolarHBondContact OE2-CB 3.44Å; E223-N229 PolarHBondContact OE2-ND2 2.81Å; E223-R358 HydrophobicContact CG-CB 4.14Å; E223-R358 WeakPolarHBondContact OE1-CD 3.39Å; E223-R358 IonicContact OE1-CZ 2.66Å; E223-R358 IonicContact OE1-NE 2.67Å; E223-R358 IonicContact OE1-NH1 3.83Å; E223-R358 PolarHBondContact OE1-NH1 3.39Å; E223-N363 PolarHBondContact O-ND2 2.84Å |
| 224 | N | 63.1 | Low | 76.1 | Confident | 33 Ų | 33 | 22.2 Ų | 22.2 | 18% | 0.176 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -157.8 | 177.3 | 166.2 | 63.9 | 35.9 | 0 | 0 | 0 | 111 | P222 V226 S227 E362 | P222-N224 WeakPolarHBondContact CB-O 3.14Å; P222-N224 PolarHBondContact O-N 2.73Å; N224-V226 PolarHBondContact O-N 3.07Å; N224-V226 PolarHBondContact OD1-N 2.96Å; N224-V226 VanDerWaalsContact OD1-N 3.08Å; N224-S227 PolarHBondContact O-N 2.85Å; N224-S227 WeakPolarHBondContact OD1-CA 3.48Å; N224-S227 WeakPolarHBondContact OD1-CB 3.21Å; N224-S227 PolarHBondContact OD1-N 2.83Å; N224-E362 HydrophobicContact CB-CB 4.24Å; N224-E362 WeakPolarHBondContact CB-OE2 3.32Å; N224-E362 PolarHBondContact ND2-OE2 3.24Å |
| 225 | A | 58.5 | Low | 76.3 | Confident | 25 Ų | 25 | 21.7 Ų | 21.7 | 21% | 0.207 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -59 | -21.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y122 | Y122-A225 WeakPolarHBondContact CD2-O 3.49Š|
| 226 | V | 61.3 | Low | 76.5 | Confident | 73 Ų | 73 | 24 Ų | 24 | 44% | 0.442 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -108.2 | -19.3 | -176.6 | -109.7 | 0 | 0 | 0 | 0 | 113.5 | N121 N224 | N121-V226 PolarHBondContact ND2-O 2.91Å; N224-V226 PolarHBondContact O-N 3.07Å; N224-V226 PolarHBondContact OD1-N 2.96Å; N224-V226 VanDerWaalsContact OD1-N 3.08Å |
| 227 | S | 68.9 | Low | 76.7 | Confident | 18 Ų | 18 | 25.1 Ų | 25.1 | 13% | 0.126 | 14% | 0.14 | C | C | . | . | trans | -71.8 | 130.2 | -170 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | Y122 E223 N224 N229 | Y122-S227 WeakPolarHBondContact CE2-O 3.36Å; Y122-S227 PolarHBondContact OH-O 2.82Å; E223-S227 PolarHBondContact OE2-OG 2.76Å; N224-S227 PolarHBondContact O-N 2.85Å; N224-S227 WeakPolarHBondContact OD1-CA 3.48Å; N224-S227 WeakPolarHBondContact OD1-CB 3.21Å; N224-S227 PolarHBondContact OD1-N 2.83Å; S227-N229 PolarHBondContact O-N 2.95Å; S227-N229 WeakPolarHBondContact OG-CB 3.46Å; S227-N229 PolarHBondContact OG-N 3.08Å | ||
| 228 | S | 72.1 | Confident | 77 | Confident | 51 Ų | 51 | 25.5 Ų | 25.5 | 36% | 0.357 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -66.2 | -17.9 | 168.8 | 53.1 | 0 | 0 | 0 | 0 | 112.5 | L281 R282 | S228-L281 CarbonylContact O-C 3.59Å; S228-L281 VanDerWaalsContact O-CA 3.27Å; S228-L281 WeakPolarHBondContact O-CA 3.32Å; S228-R282 PolarHBondContact O-N 3.3Å |
| 229 | N | 77.2 | Confident | 77.2 | Confident | 36 Ų | 36 | 27 Ų | 27 | 19% | 0.193 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 132.8 | 175.2 | -67.2 | -43.3 | 0 | 0 | 0 | 111.5 | E223 S227 L281 M355 | E223-N229 HydrophobicContact CB-CB 4.15Å; E223-N229 PolarHBondContact N-O 3.31Å; E223-N229 VanDerWaalsContact OE2-CB 3.28Å; E223-N229 WeakPolarHBondContact OE2-CB 3.44Å; E223-N229 PolarHBondContact OE2-ND2 2.81Å; S227-N229 PolarHBondContact O-N 2.95Å; S227-N229 WeakPolarHBondContact OG-CB 3.46Å; S227-N229 PolarHBondContact OG-N 3.08Å; N229-L281 WeakPolarHBondContact OD1-CD2 3.33Å; N229-M355 HydrophobicContact CB-CE 4.29Å |
| 230 | V | 77.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139.4 | -178.3 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | Y122 I220 P222 I232 A280 F302 | Y122-V230 HydrophobicContact CE1-CG2 3.9Å; Y122-V230 WeakPolarHBondContact OH-CG2 3.05Å; I220-V230 HydrophobicContact CG2-CG1 3.34Å; P222-V230 HydrophobicContact CB-CG2 4.36Å; V230-I232 HydrophobicContact CG1-CG1 4.08Å; V230-A280 PolarHBondContact N-O 2.93Å; V230-A280 PolarHBondContact O-N 2.66Å; V230-F302 HydrophobicContact CB-CE1 4.49Å; V230-F302 HydrophobicContact CG1-CE1 4.49Å; V230-F302 HydrophobicContact CG2-CD1 4.31Å; V230-F302 HydrophobicContact CG2-CE1 3.94Å |
| 231 | L | 81.2 | Confident | 77.9 | Confident | 11 Ų | 11 | 29.2 Ų | 29.2 | 6% | 0.058 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 116.6 | 164.7 | 179.6 | 67.1 | 0 | 0 | 0 | 108.9 | V221 F277 L308 F356 I359 | V221-L231 HydrophobicContact CB-CB 4.4Å; V221-L231 PolarHBondContact N-O 2.79Å; V221-L231 PolarHBondContact O-N 2.78Å; L231-F277 HydrophobicContact CD1-CB 4.2Å; L231-F277 HydrophobicContact CD1-CD1 4.08Å; L231-F277 HydrophobicContact CD2-CD1 4.3Å; L231-F277 HydrophobicContact CG-CD1 4.37Å; L231-L308 HydrophobicContact CD1-CD1 3.09Å; L231-F356 HydrophobicContact CD2-CE1 4.07Å; L231-F356 HydrophobicContact CD2-CZ 4.48Å; L231-I359 HydrophobicContact CB-CD1 3.61Å; L231-I359 HydrophobicContact CD2-CD1 3.74Å; L231-I359 HydrophobicContact CG-CD1 4.26Å |
| 232 | I | 81.4 | Confident | 78.2 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116.7 | 173.9 | -57.6 | -179.7 | 0 | 0 | 0 | 107.8 | T218 L219 I220 V230 V278 A280 F302 | T218-I232 HydrophobicContact CG2-CG2 3.69Å; L219-I232 CarbonylContact O-C 3.56Å; L219-I232 WeakPolarHBondContact O-CA 3.43Å; I220-I232 HydrophobicContact CG1-CG1 4.43Å; V230-I232 HydrophobicContact CG1-CG1 4.08Å; I232-V278 HydrophobicContact CB-CB 4.27Å; I232-V278 PolarHBondContact N-O 2.83Å; I232-V278 PolarHBondContact O-N 3.46Å; I232-A280 HydrophobicContact CD1-CB 3.47Å; I232-A280 VanDerWaalsContact CD1-CB 3.47Å; I232-A280 HydrophobicContact CG1-CB 4.02Å; I232-F302 HydrophobicContact CD1-CB 4.09Å; I232-F302 HydrophobicContact CD1-CD2 4.34Å; I232-F302 HydrophobicContact CD1-CG 4.07Å |
| 233 | A | 83.3 | Confident | 78.4 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 6% | 0.058 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 113 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L219 V275 V276 F277 | L219-A233 HydrophobicContact CB-CB 4.32Å; L219-A233 PolarHBondContact N-O 3.09Å; L219-A233 PolarHBondContact O-N 2.8Å; A233-V275 HydrophobicContact CB-CG1 4.11Å; A233-V276 WeakPolarHBondContact CA-O 3.36Å; A233-F277 HydrophobicContact CB-CD1 3.8Å; A233-F277 HydrophobicContact CB-CE1 3.75Å |
| 234 | K | 83.7 | Confident | 78.7 | Confident | 51 Ų | 51 | 34.8 Ų | 34.8 | 22% | 0.222 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 125.9 | 172.7 | -69.6 | 179.7 | 166.4 | -164.3 | 0 | 109.7 | T218 V275 V276 Y294 | T218-K234 HydrophobicContact CG2-CG 4.4Å; K234-V275 CarbonylContact O-C 3.56Å; K234-V275 VanDerWaalsContact O-CA 3.22Å; K234-V275 WeakPolarHBondContact O-CA 3.35Å; K234-V276 HydrophobicContact CB-CB 4.34Å; K234-V276 PolarHBondContact N-O 2.95Å; K234-V276 PolarHBondContact O-N 3.18Å; K234-Y294 WeakPolarHBondContact CE-OH 3.31Å; K234-Y294 VanDerWaalsContact NZ-CZ 3.33Å; K234-Y294 PolarHBondContact NZ-OH 2.8Å |
| 235 | I | 87.4 | Confident | 79.3 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 119.3 | -173.1 | -54.2 | 151.5 | 0 | 0 | 0 | 107.5 | N216 V217 L219 K237 L238 F272 V275 | N216-I235 CarbonylContact C-O 3.6Å; N216-I235 WeakPolarHBondContact CA-O 3.28Å; V217-I235 HydrophobicContact CB-CB 4.26Å; V217-I235 HydrophobicContact CB-CD1 4.42Å; V217-I235 HydrophobicContact CG1-CD1 4.33Å; V217-I235 PolarHBondContact N-O 2.96Å; V217-I235 PolarHBondContact O-N 2.84Å; L219-I235 HydrophobicContact CB-CD1 4.06Å; L219-I235 HydrophobicContact CD1-CD1 4.17Å; I235-K237 WeakPolarHBondContact CG2-O 3.03Å; I235-L238 HydrophobicContact CG2-CB 4.06Å; I235-F272 HydrophobicContact CD1-CD1 3.65Å; I235-F272 HydrophobicContact CD1-CE1 3.97Å; I235-F272 HydrophobicContact CG1-CD1 4.09Å; I235-F272 HydrophobicContact CG2-CB 4.31Å; I235-F272 HydrophobicContact CG2-CD1 4.26Å; I235-V275 HydrophobicContact CG1-CG1 4.24Å; I235-V275 HydrophobicContact CG1-CG2 4.16Å; I235-V275 HydrophobicContact CG2-CG2 4.49Å |
| 236 | D | 85.2 | Confident | 80.1 | Confident | 66 Ų | 66 | 38.6 Ų | 38.6 | 35% | 0.353 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | -37.4 | -178.8 | -84 | 2.3 | 0 | 0 | 0 | 112.2 | N216 E273 R274 | N216-D236 PolarHBondContact N-O 3.35Å; D236-E273 PolarHBondContact N-O 2.87Å; D236-R274 HydrophobicContact CB-CB 4.09Å; D236-R274 IonicContact OD2-CZ 2.76Å; D236-R274 IonicContact OD2-NE 3.82Å; D236-R274 PolarHBondContact OD2-NE 2.81Å; D236-R274 IonicContact OD2-NH2 3.65Å; D236-R274 PolarHBondContact OD2-NH2 2.6Å |
| 237 | K | 87 | Confident | 80.2 | Confident | 86 Ų | 86 | 39.7 Ų | 39.7 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 126 | 174.9 | -168.1 | -174.9 | 179.7 | -172 | 0 | 109.8 | L214 I235 T239 E273 | L214-K237 WeakPolarHBondContact O-CA 3.34Å; I235-K237 WeakPolarHBondContact CG2-O 3.03Å; K237-T239 HydrophobicContact CD-CG2 4.39Å; K237-T239 HydrophobicContact CG-CG2 4.32Å; K237-E273 HydrophobicContact CB-CB 3.93Å; K237-E273 WeakPolarHBondContact CD-OE2 3.4Å; K237-E273 PolarHBondContact N-O 2.81Å; K237-E273 WeakPolarHBondContact O-CB 3.47Å; K237-E273 PolarHBondContact O-N 3.35Å |
| 238 | L | 87.5 | Confident | 80 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.5 | 173.6 | 173.2 | 59.8 | 0 | 0 | 0 | 108.1 | L214 V217 I235 L240 A270 H271 F272 | L214-L238 HydrophobicContact CB-CB 4.38Å; L214-L238 HydrophobicContact CD1-CD2 4.34Å; L214-L238 PolarHBondContact N-O 3.44Å; L214-L238 PolarHBondContact O-N 2.94Å; V217-L238 HydrophobicContact CG1-CD2 4.46Å; V217-L238 HydrophobicContact CG2-CB 4.07Å; V217-L238 HydrophobicContact CG2-CD2 4.43Å; I235-L238 HydrophobicContact CG2-CB 4.06Å; L238-L240 HydrophobicContact CD1-CD2 3.96Å; L238-L240 HydrophobicContact CD1-CG 4.4Å; L238-L240 HydrophobicContact CG-CD2 4.34Å; L238-L240 HydrophobicContact CG-CG 4.28Å; L238-A270 HydrophobicContact CD1-CB 4.46Å; L238-H271 WeakPolarHBondContact CA-O 3.31Å; L238-F272 HydrophobicContact CD1-CD1 3.59Å; L238-F272 HydrophobicContact CD1-CE1 3.54Å; L238-F272 HydrophobicContact CD1-CG 4.09Å; L238-F272 HydrophobicContact CD1-CZ 4.03Å |
| 239 | T | 86.9 | Confident | 79.3 | Confident | 36 Ų | 36 | 46.2 Ų | 46.2 | 22% | 0.221 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 121.3 | 172 | 58.3 | 0 | 0 | 0 | 0 | 110.3 | A212 E213 K237 A270 H271 | A212-T239 CarbonylContact O-C 3.59Å; A212-T239 WeakPolarHBondContact O-CA 3.47Å; E213-T239 HydrophobicContact CG-CG2 4.19Å; K237-T239 HydrophobicContact CD-CG2 4.39Å; K237-T239 HydrophobicContact CG-CG2 4.32Å; T239-A270 WeakPolarHBondContact O-CA 3.28Å; T239-H271 PolarHBondContact N-O 2.92Å; T239-H271 PolarHBondContact O-N 3.19Å; T239-H271 WeakPolarHBondContact OG1-CB 3.46Å |
| 240 | L | 85.4 | Confident | 77.9 | Confident | 40 Ų | 40 | 50.2 Ų | 50.2 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.3 | 174.2 | -54.9 | 170.3 | 0 | 0 | 0 | 108.5 | L210 D211 A212 L238 V269 A270 | L210-L240 HydrophobicContact CD2-CB 3.89Å; L210-L240 HydrophobicContact CD2-CD1 4.08Å; L210-L240 HydrophobicContact CG-CB 4.48Å; D211-L240 CarbonylContact C-O 3.52Å; D211-L240 WeakPolarHBondContact CA-O 3.45Å; A212-L240 HydrophobicContact CB-CB 3.79Å; A212-L240 HydrophobicContact CB-CD1 3.94Å; A212-L240 HydrophobicContact CB-CG 4.08Å; A212-L240 PolarHBondContact N-O 3Å; A212-L240 PolarHBondContact O-N 3.42Å; L238-L240 HydrophobicContact CD1-CD2 3.96Å; L238-L240 HydrophobicContact CD1-CG 4.4Å; L238-L240 HydrophobicContact CG-CD2 4.34Å; L238-L240 HydrophobicContact CG-CG 4.28Å; L240-V269 WeakPolarHBondContact CA-O 3.21Å; L240-A270 HydrophobicContact CD2-CB 3.36Å |
| 241 | S | 86.5 | Confident | 76.3 | Confident | 35 Ų | 35 | 56 Ų | 56 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 142.6 | 170.3 | 57.2 | 0 | 0 | 0 | 0 | 108.1 | L210 V269 | L210-S241 CarbonylContact O-C 3.55Å; L210-S241 VanDerWaalsContact O-C 3.29Å; L210-S241 WeakPolarHBondContact O-CA 3.46Å; S241-V269 PolarHBondContact N-O 2.9Å; S241-V269 PolarHBondContact O-N 3.45Å; S241-V269 PolarHBondContact OG-O 3.14Å |
| 242 | S | 84.1 | Confident | 74.2 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 149.6 | 168.8 | 75.4 | 0 | 0 | 0 | 0 | 112.3 | L208 L210 K267 | L208-S242 PolarHBondContact O-OG 3.2Å; L210-S242 WeakPolarHBondContact CB-OG 3.5Å; L210-S242 PolarHBondContact N-OG 2.74Å; L210-S242 PolarHBondContact O-N 3.39Å; S242-K267 CarbonylContact C-O 3.58Å; S242-K267 WeakPolarHBondContact CA-O 3.36Å; S242-K267 WeakPolarHBondContact CB-O 3.48Å |
| 243 | W | 78 | Confident | 71.9 | Confident | 115 Ų | 115 | 65.9 Ų | 65.9 | 44% | 0.436 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 159 | 175.3 | 64.9 | 91.1 | 0 | 0 | 0 | 110.1 | K267 V269 | W243-K267 HydrophobicContact CD2-CB 4.27Å; W243-K267 HydrophobicContact CZ2-CB 4.14Å; W243-K267 HydrophobicContact CZ2-CD 4.12Å; W243-K267 PolarHBondContact N-O 2.73Å; W243-K267 PolarHBondContact O-N 3.42Å; W243-V269 HydrophobicContact CE3-CG2 4.49Å; W243-V269 HydrophobicContact CH2-CB 4.01Å; W243-V269 HydrophobicContact CH2-CG2 3.14Å; W243-V269 HydrophobicContact CZ2-CG2 4Å; W243-V269 HydrophobicContact CZ3-CB 3.88Å; W243-V269 HydrophobicContact CZ3-CG2 3.42Å; W243-V269 VanDerWaalsContact CZ3-CG2 3.42Å |
| 244 | S | 75.9 | Confident | 69.7 | Low | 27 Ų | 27 | 74.4 Ų | 74.4 | 19% | 0.189 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 146 | 176.6 | -41.3 | 0 | 0 | 0 | 0 | 110.4 | R207 M265 | R207-S244 WeakPolarHBondContact CB-OG 3.22Å; R207-S244 WeakPolarHBondContact CG-OG 3.39Å; S244-M265 CarbonylContact C-O 3.59Å; S244-M265 VanDerWaalsContact CA-O 3.24Å; S244-M265 WeakPolarHBondContact CA-O 3.26Å |
| 245 | E | 76 | Confident | 67.4 | Low | 66 Ų | 66 | 80.3 Ų | 80.3 | 31% | 0.308 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 132.9 | -177.3 | 180 | -176.5 | 150.8 | 0 | 0 | 109.6 | M265 K267 | E245-M265 PolarHBondContact N-O 2.84Å; E245-M265 PolarHBondContact O-N 2.92Å; E245-K267 IonicContact OE1-NZ 2.64Å; E245-K267 WeakPolarHBondContact OE2-CE 3.27Å; E245-K267 IonicContact OE2-NZ 3.1Å; E245-K267 PolarHBondContact OE2-NZ 3.08Å |
| 246 | L | 74.5 | Confident | 65 | Low | 72 Ų | 72 | 84.4 Ų | 84.4 | 38% | 0.377 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 119.8 | 167.8 | -84.1 | 151.9 | 0 | 0 | 0 | 108.5 | L149 E262 L264 | L149-L246 HydrophobicContact CB-CD1 4.42Å; L149-L246 HydrophobicContact CD1-CD1 3.73Å; L149-L246 HydrophobicContact CD1-CD2 3.91Å; L149-L246 HydrophobicContact CD1-CG 4.18Å; L246-E262 HydrophobicContact CD2-CB 3.79Å; L246-L264 HydrophobicContact CD2-CB 4.5Å; L246-L264 HydrophobicContact CD2-CD1 4.37Å; L246-L264 HydrophobicContact CG-CD1 4.07Å |
| 247 | K | 65.1 | Low | 62.9 | Low | 96 Ų | 96 | 86.3 Ų | 86.3 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.5 | -178.3 | -156.3 | 178.1 | -176.7 | -173 | 0 | 109.3 | H263 M265 | K247-H263 PolarHBondContact N-O 2.75Å; K247-H263 PolarHBondContact O-N 3.15Å; K247-M265 HydrophobicContact CB-CG 4.32Å |
| 248 | Q | 64.9 | Low | 60.8 | Low | 143 Ų | 143 | 88.8 Ų | 88.8 | 67% | 0.668 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 141.5 | 172.3 | -75 | 178.7 | -9.2 | 0 | 0 | 110.4 | T250 E262 | Q248-T250 PolarHBondContact O-N 2.79Å; Q248-E262 HydrophobicContact CG-CG 4.25Å |
| 249 | P | 55.7 | Low | 58.8 | Low | 63 Ų | 63 | 98.1 Ų | 98.1 | 41% | 0.409 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 121.1 | 177.6 | 22.4 | -29.6 | 0 | 0 | 0 | 110.1 | E261 | P249-E261 WeakPolarHBondContact CD-O 3.36Š|
| 250 | T | 49.5 | Very low | 57.1 | Low | 119 Ų | 119 | 99.1 Ų | 99.1 | 73% | 0.73 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 131.9 | 171.1 | 43.2 | 0 | 0 | 0 | 0 | 109.5 | Q248 C252 | Q248-T250 PolarHBondContact O-N 2.79Å; T250-C252 PolarHBondContact O-N 2.8Å |
| 251 | S | 43.3 | Very low | 55.5 | Low | 121 Ų | 121 | 105.3 Ų | 105.3 | 85% | 0.846 | 58% | 0.584 | S | S | * | * | trans | -59.4 | 54 | -168.6 | 58.7 | 0 | 0 | 0 | 0 | 117.2 | A253 | S251-A253 PolarHBondContact O-N 3.43Š| ||
| 252 | C | 37.6 | Very low | 54.3 | Low | 125 Ų | 125 | 107.5 Ų | 107.5 | 85% | 0.845 | 59% | 0.591 | S | S | * | * | trans | -85.8 | 105 | 172.9 | -149.7 | 0 | 0 | 0 | 0 | 109.6 | T250 Q254 | T250-C252 PolarHBondContact O-N 2.8Å; C252-Q254 PolarHBondContact O-N 3Å | ||
| 253 | A | 33.6 | Very low | 53.5 | Low | 97 Ų | 97 | 108.1 Ų | 108.1 | 80% | 0.802 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 21.3 | -147.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | S251 | S251-A253 PolarHBondContact O-N 3.43Š|
| 254 | Q | 36.1 | Very low | 53.1 | Low | 185 Ų | 185 | 102.8 Ų | 102.8 | 86% | 0.864 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | 0.3 | -171.7 | -76.6 | -170.2 | -15.8 | 0 | 0 | 120.3 | C252 | C252-Q254 PolarHBondContact O-N 3Š|
| 255 | Q | 36.3 | Very low | 53 | Low | 175 Ų | 175 | 102 Ų | 102 | 82% | 0.818 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -148.7 | 81.5 | -176.5 | -65.8 | -175 | -4.2 | 0 | 0 | 114.8 | ||
| 256 | S | 36.5 | Very low | 52.7 | Low | 89 Ų | 89 | 99.4 Ų | 99.4 | 62% | 0.622 | 55% | 0.554 | S | S | * | * | trans | 175 | 120.2 | 137.2 | 53.6 | 0 | 0 | 0 | 0 | 109.8 | D258 | S256-D258 PolarHBondContact O-N 3.46Å; S256-D258 VanDerWaalsContact O-N 3.15Å | ||
| 257 | A | 41.3 | Very low | 52.9 | Low | 106 Ų | 106 | 97.9 Ų | 97.9 | 88% | 0.876 | 55% | 0.545 | S | S | * | . | trans | -75.9 | 13.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 258 | D | 43.3 | Very low | 53.4 | Low | 137 Ų | 137 | 94.9 Ų | 94.9 | 73% | 0.733 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -115.1 | 129.2 | -172.9 | -74.9 | -37.5 | 0 | 0 | 0 | 112.7 | S256 V260 | S256-D258 PolarHBondContact O-N 3.46Å; S256-D258 VanDerWaalsContact O-N 3.15Å; D258-V260 PolarHBondContact O-N 3.42Å |
| 259 | K | 45 | Very low | 54.4 | Low | 207 Ų | 207 | 88.5 Ų | 88.5 | 90% | 0.9 | 51% | 0.505 | S | S | * | . | trans | -67.1 | 68 | -170.4 | -65.2 | 172.1 | 169.4 | 177.8 | 0 | 114.8 | ||||
| 260 | V | 49.9 | Very low | 55.7 | Low | 58 Ų | 58 | 86 Ų | 86 | 35% | 0.352 | 49% | 0.49 | S | S | . | . | trans | -106 | 99.2 | 165.9 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | D258 E262 | D258-V260 PolarHBondContact O-N 3.42Å; V260-E262 WeakPolarHBondContact CG1-O 3.26Å | ||
| 261 | E | 52.9 | Low | 57.7 | Low | 169 Ų | 169 | 84 Ų | 84 | 79% | 0.79 | 47% | 0.472 | S | S | * | . | trans | -76.1 | -23 | -178.3 | -73.2 | -173.7 | 168.5 | 0 | 0 | 113.7 | P249 | P249-E261 WeakPolarHBondContact CD-O 3.36Š| ||
| 262 | E | 61.2 | Low | 59.8 | Low | 82 Ų | 82 | 80.3 Ų | 80.3 | 38% | 0.383 | 44% | 0.441 | S | S | . | . | trans | -143.5 | 134.9 | 179.1 | -62.5 | -171.8 | 156.5 | 0 | 0 | 111.1 | L246 Q248 V260 | L246-E262 HydrophobicContact CD2-CB 3.79Å; Q248-E262 HydrophobicContact CG-CG 4.25Å; V260-E262 WeakPolarHBondContact CG1-O 3.26Å | ||
| 263 | H | 68 | Low | 62.1 | Low | 19 Ų | 19 | 78.2 Ų | 78.2 | 9% | 0.088 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 117.4 | 176 | -64.5 | -66.7 | 0 | 0 | 0 | 110.6 | K247 M265 H322 C327 C329 | K247-H263 PolarHBondContact N-O 2.75Å; K247-H263 PolarHBondContact O-N 3.15Å; H263-M265 PolarHBondContact O-N 3.27Å; H263-H322 AromaticContact CG-CE1 3.95Å; H263-H322 AromaticContact CG-ND1 3.98Å; H263-C327 PolarHBondContact CE1-SG 2.96Å; H263-C327 PolarHBondContact ND1-SG 3.23Å; H263-C327 VanDerWaalsContact ND1-SG 3.36Å; H263-C329 PolarHBondContact CE1-SG 3.39Å; H263-C329 PolarHBondContact NE2-SG 3.48Å |
| 264 | L | 69.2 | Low | 64.4 | Low | 3 Ų | 3 | 79.4 Ų | 79.4 | 2% | 0.016 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 120.8 | 169.6 | -173.2 | 70 | 0 | 0 | 0 | 109.8 | F204 R207 L246 L323 C324 | F204-L264 HydrophobicContact CB-CD2 3.72Å; F204-L264 HydrophobicContact CD1-CB 3.84Å; F204-L264 HydrophobicContact CD1-CD2 3.75Å; F204-L264 HydrophobicContact CD1-CG 4.42Å; F204-L264 HydrophobicContact CE1-CB 4.23Å; F204-L264 HydrophobicContact CG-CD2 4Å; R207-L264 HydrophobicContact CG-CD2 3.96Å; L246-L264 HydrophobicContact CD2-CB 4.5Å; L246-L264 HydrophobicContact CD2-CD1 4.37Å; L246-L264 HydrophobicContact CG-CD1 4.07Å; L264-L323 HydrophobicContact CB-CB 4.34Å; L264-L323 HydrophobicContact CD2-CB 4.02Å; L264-L323 HydrophobicContact CD2-CD1 3.76Å; L264-L323 HydrophobicContact CG-CB 4.16Å; L264-L323 HydrophobicContact CG-CD1 4Å; L264-L323 PolarHBondContact O-N 3.48Å; L264-C324 PolarHBondContact N-SG 2.86Å |
| 265 | M | 74 | Confident | 66.7 | Low | 11 Ų | 11 | 70.8 Ų | 70.8 | 5% | 0.054 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 139.8 | 178.3 | -68.1 | -81.6 | -84.8 | 0 | 0 | 109.8 | S244 E245 K247 H263 R321 H322 | S244-M265 CarbonylContact C-O 3.59Å; S244-M265 VanDerWaalsContact CA-O 3.24Å; S244-M265 WeakPolarHBondContact CA-O 3.26Å; E245-M265 PolarHBondContact N-O 2.84Å; E245-M265 PolarHBondContact O-N 2.92Å; K247-M265 HydrophobicContact CB-CG 4.32Å; H263-M265 PolarHBondContact O-N 3.27Å; M265-R321 CarbonylContact C-O 3.49Å; M265-R321 VanDerWaalsContact CA-O 3.3Å; M265-R321 WeakPolarHBondContact CA-O 3.46Å; M265-H322 HydrophobicContact SD-CB 4.27Å; M265-H322 PolarHBondContact SD-CD2 3.02Å; M265-H322 PolarHBondContact SD-CE1 3.35Å; M265-H322 PolarHBondContact SD-NE2 3.31Å; M265-H322 VanDerWaalsContact SD-NE2 3.37Å |
| 266 | D | 68.8 | Low | 68.8 | Low | 10 Ų | 10 | 64 Ų | 64 | 5% | 0.053 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 124.4 | 167.4 | -175.3 | 28 | 0 | 0 | 0 | 108.5 | S320 R321 L323 | D266-S320 CarbonylContact O-C 3.23Å; D266-S320 WeakPolarHBondContact O-CA 3Å; D266-R321 PolarHBondContact N-O 3.44Å; D266-R321 PolarHBondContact O-N 3.48Å; D266-R321 IonicContact OD2-NH2 3.86Å; D266-R321 PolarHBondContact OD2-NH2 2.83Å; D266-L323 HydrophobicContact CB-CD1 3.82Å; D266-L323 HydrophobicContact CB-CD2 3.95Å; D266-L323 HydrophobicContact CB-CG 3.76Å |
| 267 | K | 79.5 | Confident | 70.9 | Confident | 41 Ų | 41 | 62 Ų | 62 | 18% | 0.178 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 120.3 | 177.4 | -75.6 | -175.9 | 175.9 | 164.3 | 0 | 109.1 | S242 W243 E245 F319 | S242-K267 CarbonylContact C-O 3.58Å; S242-K267 WeakPolarHBondContact CA-O 3.36Å; S242-K267 WeakPolarHBondContact CB-O 3.48Å; W243-K267 HydrophobicContact CD2-CB 4.27Å; W243-K267 HydrophobicContact CZ2-CB 4.14Å; W243-K267 HydrophobicContact CZ2-CD 4.12Å; W243-K267 PolarHBondContact N-O 2.73Å; W243-K267 PolarHBondContact O-N 3.42Å; E245-K267 IonicContact OE1-NZ 2.64Å; E245-K267 WeakPolarHBondContact OE2-CE 3.27Å; E245-K267 IonicContact OE2-NZ 3.1Å; E245-K267 PolarHBondContact OE2-NZ 3.08Å; K267-F319 CarbonylContact C-O 3.58Å; K267-F319 WeakPolarHBondContact CA-O 3.07Å |
| 268 | V | 75.2 | Confident | 72.6 | Confident | 33 Ų | 33 | 57.3 Ų | 57.3 | 20% | 0.2 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 122.2 | 170.5 | -176.9 | 0 | 0 | 0 | 0 | 107.8 | F319 | V268-F319 HydrophobicContact CB-CB 4.5Å; V268-F319 PolarHBondContact N-O 2.81Å; V268-F319 PolarHBondContact O-N 3.33Å |
| 269 | V | 85.1 | Confident | 74.2 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 119.4 | 177.2 | -176 | 0 | 0 | 0 | 0 | 109.6 | L240 S241 W243 H271 A317 V318 | L240-V269 WeakPolarHBondContact CA-O 3.21Å; S241-V269 PolarHBondContact N-O 2.9Å; S241-V269 PolarHBondContact O-N 3.45Å; S241-V269 PolarHBondContact OG-O 3.14Å; W243-V269 HydrophobicContact CE3-CG2 4.49Å; W243-V269 HydrophobicContact CH2-CB 4.01Å; W243-V269 HydrophobicContact CH2-CG2 3.14Å; W243-V269 HydrophobicContact CZ2-CG2 4Å; W243-V269 HydrophobicContact CZ3-CB 3.88Å; W243-V269 HydrophobicContact CZ3-CG2 3.42Å; W243-V269 VanDerWaalsContact CZ3-CG2 3.42Å; V269-H271 WeakPolarHBondContact CG1-CE1 3.36Å; V269-A317 WeakPolarHBondContact CA-O 3.49Å; V269-V318 HydrophobicContact CG1-CG2 4.08Å; V269-V318 HydrophobicContact CG2-CB 4.28Å; V269-V318 HydrophobicContact CG2-CG1 3.99Å; V269-V318 HydrophobicContact CG2-CG2 3.85Å |
| 270 | A | 84.4 | Confident | 75.8 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 8% | 0.083 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 119.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | L238 T239 L240 F272 D316 A317 | L238-A270 HydrophobicContact CD1-CB 4.46Å; T239-A270 WeakPolarHBondContact O-CA 3.28Å; L240-A270 HydrophobicContact CD2-CB 3.36Å; A270-F272 HydrophobicContact CB-CD2 4.27Å; A270-F272 HydrophobicContact CB-CE2 3.49Å; A270-F272 VanDerWaalsContact CB-CE2 3.49Å; A270-F272 HydrophobicContact CB-CZ 3.84Å; A270-D316 WeakPolarHBondContact O-CA 3.24Å; A270-A317 HydrophobicContact CB-CB 4.45Å; A270-A317 PolarHBondContact N-O 2.78Å; A270-A317 PolarHBondContact O-N 2.74Å |
| 271 | H | 89.6 | Confident | 77.1 | Confident | 77 Ų | 77 | 42.4 Ų | 42.4 | 36% | 0.356 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.6 | 169.8 | -51.2 | 68.3 | 0 | 0 | 0 | 108.2 | L238 T239 V269 D316 | L238-H271 WeakPolarHBondContact CA-O 3.31Å; T239-H271 PolarHBondContact N-O 2.92Å; T239-H271 PolarHBondContact O-N 3.19Å; T239-H271 WeakPolarHBondContact OG1-CB 3.46Å; V269-H271 WeakPolarHBondContact CG1-CE1 3.36Å; H271-D316 WeakPolarHBondContact CB-OD1 3.22Å; H271-D316 IonicContact CD2-OD1 3.26Å; H271-D316 PolarHBondContact CD2-OD1 3.12Å; H271-D316 IonicContact CG-OD1 2.84Å; H271-D316 IonicContact NE2-OD1 2.73Å |
| 272 | F | 87.3 | Confident | 77.9 | Confident | 45 Ų | 45 | 36.5 Ų | 36.5 | 20% | 0.197 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 113.8 | -179.6 | -57.9 | -98.3 | 0 | 0 | 0 | 108.6 | I235 L238 A270 V275 N314 A315 A317 | I235-F272 HydrophobicContact CD1-CD1 3.65Å; I235-F272 HydrophobicContact CD1-CE1 3.97Å; I235-F272 HydrophobicContact CG1-CD1 4.09Å; I235-F272 HydrophobicContact CG2-CB 4.31Å; I235-F272 HydrophobicContact CG2-CD1 4.26Å; L238-F272 HydrophobicContact CD1-CD1 3.59Å; L238-F272 HydrophobicContact CD1-CE1 3.54Å; L238-F272 HydrophobicContact CD1-CG 4.09Å; L238-F272 HydrophobicContact CD1-CZ 4.03Å; A270-F272 HydrophobicContact CB-CD2 4.27Å; A270-F272 HydrophobicContact CB-CE2 3.49Å; A270-F272 VanDerWaalsContact CB-CE2 3.49Å; A270-F272 HydrophobicContact CB-CZ 3.84Å; F272-V275 HydrophobicContact CB-CG2 3.44Å; F272-V275 VanDerWaalsContact CB-CG2 3.44Å; F272-V275 HydrophobicContact CG-CG2 4.41Å; F272-N314 VanDerWaalsContact O-CA 3.3Å; F272-N314 WeakPolarHBondContact O-CA 3.34Å; F272-A315 HydrophobicContact CB-CB 4.28Å; F272-A315 WeakPolarHBondContact CB-O 3.38Å; F272-A315 HydrophobicContact CD2-CB 4.26Å; F272-A315 WeakPolarHBondContact CD2-O 3.21Å; F272-A315 PolarHBondContact N-O 3.46Å; F272-A315 PolarHBondContact O-N 3.23Å; F272-A317 HydrophobicContact CE2-CB 4Å |
| 273 | E | 86 | Confident | 78.2 | Confident | 80 Ų | 80 | 33.7 Ų | 33.7 | 37% | 0.374 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 129.3 | -179.8 | -149.1 | -174.8 | 155 | 0 | 0 | 110.6 | D236 K237 | D236-E273 PolarHBondContact N-O 2.87Å; K237-E273 HydrophobicContact CB-CB 3.93Å; K237-E273 WeakPolarHBondContact CD-OE2 3.4Å; K237-E273 PolarHBondContact N-O 2.81Å; K237-E273 WeakPolarHBondContact O-CB 3.47Å; K237-E273 PolarHBondContact O-N 3.35Å |
| 274 | R | 83.3 | Confident | 77.7 | Confident | 122 Ų | 122 | 36.8 Ų | 36.8 | 46% | 0.46 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.1 | 66 | -178.6 | -55.7 | -168.5 | -63.3 | -106 | 0.2 | 113.2 | D236 C312 N314 | D236-R274 HydrophobicContact CB-CB 4.09Å; D236-R274 IonicContact OD2-CZ 2.76Å; D236-R274 IonicContact OD2-NE 3.82Å; D236-R274 PolarHBondContact OD2-NE 2.81Å; D236-R274 IonicContact OD2-NH2 3.65Å; D236-R274 PolarHBondContact OD2-NH2 2.6Å; R274-C312 HydrophobicContact CB-CB 4.41Å; R274-N314 PolarHBondContact N-OD1 2.81Å |
| 275 | V | 82.9 | Confident | 76.7 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 128.9 | 176.3 | -167.9 | 0 | 0 | 0 | 0 | 111 | A233 K234 I235 F272 F277 V313 | A233-V275 HydrophobicContact CB-CG1 4.11Å; K234-V275 CarbonylContact O-C 3.56Å; K234-V275 VanDerWaalsContact O-CA 3.22Å; K234-V275 WeakPolarHBondContact O-CA 3.35Å; I235-V275 HydrophobicContact CG1-CG1 4.24Å; I235-V275 HydrophobicContact CG1-CG2 4.16Å; I235-V275 HydrophobicContact CG2-CG2 4.49Å; F272-V275 HydrophobicContact CB-CG2 3.44Å; F272-V275 VanDerWaalsContact CB-CG2 3.44Å; F272-V275 HydrophobicContact CG-CG2 4.41Å; V275-F277 HydrophobicContact CB-CE2 4.37Å; V275-F277 HydrophobicContact CG1-CD1 4.36Å; V275-F277 HydrophobicContact CG1-CD2 4.22Å; V275-F277 HydrophobicContact CG1-CE1 3.92Å; V275-F277 HydrophobicContact CG1-CE2 3.76Å; V275-F277 HydrophobicContact CG1-CZ 3.6Å; V275-V313 WeakPolarHBondContact CA-O 3.45Å; V275-V313 VanDerWaalsContact CB-O 3.23Å; V275-V313 WeakPolarHBondContact CB-O 3.47Å; V275-V313 WeakPolarHBondContact CG2-O 2.98Å; V275-V313 PolarHBondContact N-O 3.13Å; V275-V313 PolarHBondContact O-N 3.37Å |
| 276 | V | 81.1 | Confident | 75.6 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 19% | 0.194 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.7 | 170.5 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | A233 K234 V278 L307 C312 | A233-V276 WeakPolarHBondContact CA-O 3.36Å; K234-V276 HydrophobicContact CB-CB 4.34Å; K234-V276 PolarHBondContact N-O 2.95Å; K234-V276 PolarHBondContact O-N 3.18Å; V276-V278 HydrophobicContact CG1-CG2 4.08Å; V276-L307 HydrophobicContact CG1-CD2 3.4Å; V276-C312 VanDerWaalsContact CG2-SG 3.52Å |
| 277 | F | 79.9 | Confident | 74.5 | Confident | 49 Ų | 49 | 51.5 Ų | 51.5 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.7 | 177.1 | -65.4 | -74.9 | 0 | 0 | 0 | 111.2 | L231 A233 V275 L308 | L231-F277 HydrophobicContact CD1-CB 4.2Å; L231-F277 HydrophobicContact CD1-CD1 4.08Å; L231-F277 HydrophobicContact CD2-CD1 4.3Å; L231-F277 HydrophobicContact CG-CD1 4.37Å; A233-F277 HydrophobicContact CB-CD1 3.8Å; A233-F277 HydrophobicContact CB-CE1 3.75Å; V275-F277 HydrophobicContact CB-CE2 4.37Å; V275-F277 HydrophobicContact CG1-CD1 4.36Å; V275-F277 HydrophobicContact CG1-CD2 4.22Å; V275-F277 HydrophobicContact CG1-CE1 3.92Å; V275-F277 HydrophobicContact CG1-CE2 3.76Å; V275-F277 HydrophobicContact CG1-CZ 3.6Å; F277-L308 HydrophobicContact CB-CB 4.06Å; F277-L308 HydrophobicContact CB-CD1 4.13Å; F277-L308 PolarHBondContact O-N 2.85Å |
| 278 | V | 78.2 | Confident | 73.1 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.6 | -177.1 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | I232 V276 V304 L307 | I232-V278 HydrophobicContact CB-CB 4.27Å; I232-V278 PolarHBondContact N-O 2.83Å; I232-V278 PolarHBondContact O-N 3.46Å; V276-V278 HydrophobicContact CG1-CG2 4.08Å; V278-V304 HydrophobicContact CG1-CB 4.14Å; V278-V304 HydrophobicContact CG1-CG1 3.39Å; V278-V304 HydrophobicContact CG1-CG2 3.75Å; V278-L307 HydrophobicContact CG2-CD2 4.19Å |
| 279 | K | 76.7 | Confident | 71.8 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 22% | 0.222 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 120.4 | 166.6 | 174.5 | 168.8 | -178.1 | 178.4 | 0 | 108.2 | K305 N306 L308 M355 | K279-K305 HydrophobicContact CG-CB 4.28Å; K279-K305 PolarHBondContact O-N 2.82Å; K279-N306 PolarHBondContact N-O 3.34Å; K279-N306 PolarHBondContact O-N 3.5Å; K279-L308 HydrophobicContact CB-CD1 4.14Å; K279-L308 HydrophobicContact CB-CD2 4.14Å; K279-L308 HydrophobicContact CB-CG 3.96Å; K279-M355 HydrophobicContact CB-CE 4.47Å; K279-M355 HydrophobicContact CB-SD 4.42Å; K279-M355 HydrophobicContact CD-CE 3.47Å; K279-M355 VanDerWaalsContact CD-CE 3.47Å; K279-M355 HydrophobicContact CD-SD 4.11Å; K279-M355 VanDerWaalsContact CE-CE 3.42Å; K279-M355 HydrophobicContact CG-CE 3.69Å; K279-M355 HydrophobicContact CG-SD 4.26Å |
| 280 | A | 78.4 | Confident | 69.9 | Low | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 156.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | V230 I232 F302 V303 | V230-A280 PolarHBondContact N-O 2.93Å; V230-A280 PolarHBondContact O-N 2.66Å; I232-A280 HydrophobicContact CD1-CB 3.47Å; I232-A280 VanDerWaalsContact CD1-CB 3.47Å; I232-A280 HydrophobicContact CG1-CB 4.02Å; A280-F302 HydrophobicContact CB-CB 4.13Å; A280-V303 CarbonylContact C-O 3.38Å; A280-V303 VanDerWaalsContact CA-O 3.26Å; A280-V303 WeakPolarHBondContact CA-O 3.43Å; A280-V303 WeakPolarHBondContact CB-O 3.41Å |
| 281 | L | 77.7 | Confident | 68.2 | Low | 37 Ų | 37 | 70.8 Ų | 70.8 | 19% | 0.194 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 139 | 168.7 | -80.3 | 172.4 | 0 | 0 | 0 | 109.5 | S228 N229 F302 V303 K305 | S228-L281 CarbonylContact O-C 3.59Å; S228-L281 VanDerWaalsContact O-CA 3.27Å; S228-L281 WeakPolarHBondContact O-CA 3.32Å; N229-L281 WeakPolarHBondContact OD1-CD2 3.33Å; L281-F302 CarbonylContact O-C 3.47Å; L281-F302 VanDerWaalsContact O-CA 3.27Å; L281-F302 WeakPolarHBondContact O-CA 3.4Å; L281-V303 PolarHBondContact N-O 3.24Å; L281-V303 PolarHBondContact O-N 3.38Å; L281-K305 HydrophobicContact CD1-CD 3.53Å; L281-K305 HydrophobicContact CD1-CG 3.89Å; L281-K305 HydrophobicContact CG-CD 3.91Å; L281-K305 HydrophobicContact CG-CG 4.15Å |
| 282 | R | 70.3 | Confident | 66.3 | Low | 45 Ų | 45 | 68.7 Ų | 68.7 | 17% | 0.17 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 129.3 | 168.5 | -173.1 | -176.2 | 175.8 | -147.5 | 12.2 | 110.1 | N121 S228 T284 F302 | N121-R282 VanDerWaalsContact C-NH1 3.26Å; N121-R282 VanDerWaalsContact CG-NH1 3.33Å; N121-R282 PolarHBondContact O-NH1 2.77Å; N121-R282 PolarHBondContact O-NH2 2.9Å; N121-R282 VanDerWaalsContact O-NH2 3.09Å; N121-R282 PolarHBondContact OD1-NH1 3.43Å; S228-R282 PolarHBondContact O-N 3.3Å; R282-T284 HydrophobicContact CG-CG2 4.16Å; R282-T284 PolarHBondContact O-N 3.45Å; R282-F302 HydrophobicContact CB-CD1 4.15Å; R282-F302 HydrophobicContact CB-CE1 4.09Å; R282-F302 HydrophobicContact CG-CE1 4.26Å |
| 283 | A | 66.6 | Low | 65.1 | Low | 24 Ų | 24 | 70.7 Ų | 70.7 | 20% | 0.198 | 38% | 0.382 | C | S | . | . | trans | -78 | 100 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L286 A301 V303 | A283-L286 HydrophobicContact CB-CD1 3.34Å; A283-L286 HydrophobicContact CB-CG 3.7Å; A283-A301 HydrophobicContact CB-CB 4.03Å; A283-A301 WeakPolarHBondContact CB-O 3.36Å; A283-A301 PolarHBondContact N-O 3.22Å; A283-V303 HydrophobicContact CB-CG2 4.46Å | ||
| 284 | T | 57.2 | Low | 64 | Low | 83 Ų | 83 | 69.6 Ų | 69.6 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -98.9 | -28.3 | 173.7 | 41.6 | 0 | 0 | 0 | 0 | 112.9 | R282 | R282-T284 HydrophobicContact CG-CG2 4.16Å; R282-T284 PolarHBondContact O-N 3.45Å |
| 285 | E | 48.8 | Very low | 63 | Low | 185 Ų | 185 | 69.7 Ų | 69.7 | 86% | 0.864 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -153.9 | 83 | 170.5 | -67 | -175.8 | 168.1 | 0 | 0 | 108.1 | ||
| 286 | L | 49.9 | Very low | 61.9 | Low | 57 Ų | 57 | 69.9 Ų | 69.9 | 30% | 0.298 | 38% | 0.379 | S | S | . | . | trans | -81.9 | 130.1 | 176.3 | -79.9 | 169.9 | 0 | 0 | 0 | 110.5 | A283 E290 C292 V303 | A283-L286 HydrophobicContact CB-CD1 3.34Å; A283-L286 HydrophobicContact CB-CG 3.7Å; L286-E290 HydrophobicContact CD1-CB 4.37Å; L286-E290 HydrophobicContact CD2-CB 4.09Å; L286-E290 VanDerWaalsContact CD2-OE2 3.23Å; L286-E290 WeakPolarHBondContact CD2-OE2 3.43Å; L286-C292 VanDerWaalsContact CD1-SG 3.57Å; L286-V303 HydrophobicContact CD1-CG2 3.55Å; L286-V303 HydrophobicContact CD2-CG2 4.04Å; L286-V303 HydrophobicContact CG-CG2 4.33Å | ||
| 287 | P | 47.6 | Very low | 60.9 | Low | 91 Ų | 91 | 70.2 Ų | 70.2 | 59% | 0.591 | 39% | 0.39 | S | S | * | . | trans | -59 | 141 | 163.6 | 24.4 | -29.5 | 0 | 0 | 0 | 109.1 | S289 E290 | P287-S289 PolarHBondContact O-N 2.67Å; P287-E290 PolarHBondContact O-N 2.78Å | ||
| 288 | V | 49.2 | Very low | 59.8 | Low | 160 Ų | 160 | 80.4 Ų | 80.4 | 97% | 0.97 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -1.5 | -163.6 | -179.6 | 0 | 0 | 0 | 0 | 116.1 | ||
| 289 | S | 47.8 | Very low | 58.8 | Low | 110 Ų | 110 | 85.6 Ų | 85.6 | 77% | 0.769 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -8.1 | -178.9 | 72.8 | 0 | 0 | 0 | 0 | 116.8 | P287 | P287-S289 PolarHBondContact O-N 2.67Š|
| 290 | E | 44.2 | Very low | 58.3 | Low | 106 Ų | 106 | 84.2 Ų | 84.2 | 50% | 0.495 | 44% | 0.444 | S | S | . | . | trans | -97.7 | 115.5 | 178.1 | -74 | -172.2 | 179.9 | 0 | 0 | 111.7 | L286 P287 C292 | L286-E290 HydrophobicContact CD1-CB 4.37Å; L286-E290 HydrophobicContact CD2-CB 4.09Å; L286-E290 VanDerWaalsContact CD2-OE2 3.23Å; L286-E290 WeakPolarHBondContact CD2-OE2 3.43Å; P287-E290 PolarHBondContact O-N 2.78Å; E290-C292 PolarHBondContact O-N 2.73Å | ||
| 291 | T | 50.3 | Low | 57.9 | Low | 121 Ų | 121 | 85 Ų | 85 | 74% | 0.742 | 45% | 0.45 | S | S | * | . | trans | -71.5 | 121.9 | 171.9 | 48.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 292 | C | 50 | Low | 57.7 | Low | 33 Ų | 33 | 83.4 Ų | 83.4 | 22% | 0.223 | 44% | 0.442 | C | S | . | . | trans | -67.4 | 129.8 | 174.4 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | L286 E290 F295 A301 | L286-C292 VanDerWaalsContact CD1-SG 3.57Å; E290-C292 PolarHBondContact O-N 2.73Å; C292-F295 HydrophobicContact CB-CE1 4.13Å; C292-F295 HydrophobicContact CB-CE2 4.03Å; C292-F295 HydrophobicContact CB-CZ 3.68Å; C292-A301 HydrophobicContact CB-CB 3.83Å; C292-A301 VanDerWaalsContact SG-CB 3.51Å | ||
| 293 | D | 61 | Low | 58 | Low | 87 Ų | 87 | 82.4 Ų | 82.4 | 47% | 0.465 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -81.7 | -30.4 | -178.2 | -62.6 | -49.7 | 0 | 0 | 0 | 113.3 | F302 V304 | D293-F302 PolarHBondContact N-O 2.79Å; D293-V304 HydrophobicContact CB-CG2 3.92Å; D293-V304 WeakPolarHBondContact OD2-CB 3.24Å; D293-V304 PolarHBondContact OD2-N 3.38Å |
| 294 | Y | 63.3 | Low | 58.2 | Low | 57 Ų | 57 | 83.3 Ų | 83.3 | 22% | 0.224 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.2 | 179.3 | -67.6 | -86.1 | 0 | 0 | 0 | 111.2 | K234 A301 F302 V304 | K234-Y294 WeakPolarHBondContact CE-OH 3.31Å; K234-Y294 VanDerWaalsContact NZ-CZ 3.33Å; K234-Y294 PolarHBondContact NZ-OH 2.8Å; Y294-A301 CarbonylContact O-C 3.54Å; Y294-A301 VanDerWaalsContact O-CA 3.27Å; Y294-A301 WeakPolarHBondContact O-CA 3.39Å; Y294-F302 PolarHBondContact N-O 3.48Å; Y294-F302 PolarHBondContact O-N 3.01Å; Y294-V304 HydrophobicContact CD2-CG2 3.76Å; Y294-V304 HydrophobicContact CE2-CG2 3.44Å; Y294-V304 VanDerWaalsContact CE2-CG2 3.44Å |
| 295 | F | 62.2 | Low | 58.8 | Low | 125 Ų | 125 | 85 Ų | 85 | 55% | 0.548 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.2 | 166.1 | -66 | -86.9 | 0 | 0 | 0 | 108.7 | C292 A301 | C292-F295 HydrophobicContact CB-CE1 4.13Å; C292-F295 HydrophobicContact CB-CE2 4.03Å; C292-F295 HydrophobicContact CB-CZ 3.68Å; F295-A301 HydrophobicContact CD1-CB 4.16Å; F295-A301 HydrophobicContact CE1-CB 4.14Å |
| 296 | Y | 60.1 | Low | 59.7 | Low | 7 Ų | 7 | 81.3 Ų | 81.3 | 3% | 0.027 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 98.8 | 167.7 | -177.5 | -74.2 | 0 | 0 | 0 | 107.1 | E127 F129 Y166 V168 I220 Y300 | E127-Y296 HydrophobicContact CB-CE1 4.45Å; E127-Y296 WeakPolarHBondContact CB-OH 3.37Å; E127-Y296 PolarHBondContact O-OH 3.41Å; F129-Y296 AromaticContact CD1-CE1 3.92Å; F129-Y296 HydrophobicContact CD1-CE1 3.92Å; F129-Y296 HydrophobicContact CD1-CE2 4Å; F129-Y296 AromaticContact CD1-CZ 3.55Å; F129-Y296 WeakPolarHBondContact CD1-OH 3.27Å; F129-Y296 AromaticContact CE1-CD1 3.82Å; F129-Y296 HydrophobicContact CE1-CD1 3.82Å; F129-Y296 AromaticContact CE1-CD2 3.65Å; F129-Y296 HydrophobicContact CE1-CD2 3.65Å; F129-Y296 AromaticContact CE1-CE1 3.55Å; F129-Y296 HydrophobicContact CE1-CE1 3.55Å; F129-Y296 AromaticContact CE1-CE2 3.42Å; F129-Y296 HydrophobicContact CE1-CE2 3.42Å; F129-Y296 VanDerWaalsContact CE1-CE2 3.42Å; F129-Y296 AromaticContact CE1-CG 3.85Å; F129-Y296 HydrophobicContact CE1-CG 3.85Å; F129-Y296 AromaticContact CE1-CZ 3.3Å; F129-Y296 HydrophobicContact CZ-CD2 4.37Å; F129-Y296 HydrophobicContact CZ-CG 4.39Å; Y166-Y296 AromaticContact CD1-CD2 3.88Å; Y166-Y296 HydrophobicContact CD1-CD2 3.88Å; Y166-Y296 HydrophobicContact CD1-CE2 4.35Å; Y166-Y296 AromaticContact CG-CD2 3.99Å; Y166-Y296 HydrophobicContact CG-CD2 3.99Å; Y166-Y296 HydrophobicContact CG-CE2 4.07Å; V168-Y296 HydrophobicContact CG2-CD2 4.19Å; V168-Y296 HydrophobicContact CG2-CE1 4.25Å; V168-Y296 HydrophobicContact CG2-CE2 3.4Å; V168-Y296 VanDerWaalsContact CG2-CE2 3.4Å; V168-Y296 VanDerWaalsContact CG2-CZ 3.5Å; I220-Y296 HydrophobicContact CD1-CD2 3.57Å; I220-Y296 HydrophobicContact CD1-CE2 4.06Å; I220-Y296 HydrophobicContact CD1-CG 4.44Å; Y296-Y300 AromaticContact CD1-CD2 3.71Å; Y296-Y300 HydrophobicContact CD1-CD2 3.71Å; Y296-Y300 HydrophobicContact CD1-CE2 4.26Å; Y296-Y300 HydrophobicContact CE1-CD2 4.41Å; Y296-Y300 HydrophobicContact CG-CD2 4.44Å; Y296-Y300 PolarHBondContact N-O 3.25Å; Y296-Y300 PolarHBondContact O-N 2.82Å |
| 297 | G | 59.4 | Low | 60.3 | Low | 40 Ų | 40 | 83.3 Ų | 83.3 | 41% | 0.412 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | -152 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 298 | R | 57.6 | Low | 61 | Low | 263 Ų | 263 | 79.4 Ų | 79.4 | 99% | 0.992 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -3.7 | 172.4 | -66.9 | -173.7 | -179.7 | -177.5 | -0.5 | 113.6 | ||
| 299 | E | 57.4 | Low | 61.7 | Low | 115 Ų | 115 | 72.1 Ų | 72.1 | 54% | 0.537 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -29.7 | -165.9 | -72.1 | -179.2 | -168.4 | 0 | 0 | 114.2 | R112 K125 | R112-E299 IonicContact NH2-OE1 3.42Å; R112-E299 IonicContact NH2-OE2 2.69Å; K125-E299 IonicContact NZ-OE2 3.13Å; K125-E299 PolarHBondContact NZ-OE2 2.92Å |
| 300 | Y | 65.3 | Low | 62.3 | Low | 23 Ų | 23 | 75.6 Ų | 75.6 | 9% | 0.09 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133.2 | -178.3 | -48.5 | -93 | 0 | 0 | 0 | 110.9 | Y296 | Y296-Y300 AromaticContact CD1-CD2 3.71Å; Y296-Y300 HydrophobicContact CD1-CD2 3.71Å; Y296-Y300 HydrophobicContact CD1-CE2 4.26Å; Y296-Y300 HydrophobicContact CE1-CD2 4.41Å; Y296-Y300 HydrophobicContact CG-CD2 4.44Å; Y296-Y300 PolarHBondContact N-O 3.25Å; Y296-Y300 PolarHBondContact O-N 2.82Å |
| 301 | A | 69.7 | Low | 63.4 | Low | 16 Ų | 16 | 71 Ų | 71 | 13% | 0.132 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 139.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | A283 C292 Y294 F295 | A283-A301 HydrophobicContact CB-CB 4.03Å; A283-A301 WeakPolarHBondContact CB-O 3.36Å; A283-A301 PolarHBondContact N-O 3.22Å; C292-A301 HydrophobicContact CB-CB 3.83Å; C292-A301 VanDerWaalsContact SG-CB 3.51Å; Y294-A301 CarbonylContact O-C 3.54Å; Y294-A301 VanDerWaalsContact O-CA 3.27Å; Y294-A301 WeakPolarHBondContact O-CA 3.39Å; F295-A301 HydrophobicContact CD1-CB 4.16Å; F295-A301 HydrophobicContact CE1-CB 4.14Å |
| 302 | F | 74.7 | Confident | 64.5 | Low | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.018 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134 | 178.5 | -57.5 | -83 | 0 | 0 | 0 | 110.3 | Y122 I220 V230 I232 A280 L281 R282 D293 Y294 | Y122-F302 HydrophobicContact CE1-CE1 4.23Å; I220-F302 HydrophobicContact CD1-CE2 3.8Å; I220-F302 HydrophobicContact CD1-CZ 4.19Å; I220-F302 HydrophobicContact CG2-CZ 4.07Å; V230-F302 HydrophobicContact CB-CE1 4.49Å; V230-F302 HydrophobicContact CG1-CE1 4.49Å; V230-F302 HydrophobicContact CG2-CD1 4.31Å; V230-F302 HydrophobicContact CG2-CE1 3.94Å; I232-F302 HydrophobicContact CD1-CB 4.09Å; I232-F302 HydrophobicContact CD1-CD2 4.34Å; I232-F302 HydrophobicContact CD1-CG 4.07Å; A280-F302 HydrophobicContact CB-CB 4.13Å; L281-F302 CarbonylContact O-C 3.47Å; L281-F302 VanDerWaalsContact O-CA 3.27Å; L281-F302 WeakPolarHBondContact O-CA 3.4Å; R282-F302 HydrophobicContact CB-CD1 4.15Å; R282-F302 HydrophobicContact CB-CE1 4.09Å; R282-F302 HydrophobicContact CG-CE1 4.26Å; D293-F302 PolarHBondContact N-O 2.79Å; Y294-F302 PolarHBondContact N-O 3.48Å; Y294-F302 PolarHBondContact O-N 3.01Å |
| 303 | V | 75.8 | Confident | 65.8 | Low | 24 Ų | 24 | 66.6 Ų | 66.6 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122.3 | 170.7 | -176.3 | 0 | 0 | 0 | 0 | 107.7 | A280 L281 A283 L286 K305 | A280-V303 CarbonylContact C-O 3.38Å; A280-V303 VanDerWaalsContact CA-O 3.26Å; A280-V303 WeakPolarHBondContact CA-O 3.43Å; A280-V303 WeakPolarHBondContact CB-O 3.41Å; L281-V303 PolarHBondContact N-O 3.24Å; L281-V303 PolarHBondContact O-N 3.38Å; A283-V303 HydrophobicContact CB-CG2 4.46Å; L286-V303 HydrophobicContact CD1-CG2 3.55Å; L286-V303 HydrophobicContact CD2-CG2 4.04Å; L286-V303 HydrophobicContact CG-CG2 4.33Å; V303-K305 PolarHBondContact O-N 3.31Å |
| 304 | V | 71.2 | Confident | 66.9 | Low | 42 Ų | 42 | 63.9 Ų | 63.9 | 26% | 0.255 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 121.7 | 175.1 | 173.9 | 0 | 0 | 0 | 0 | 108.7 | V278 D293 Y294 | V278-V304 HydrophobicContact CG1-CB 4.14Å; V278-V304 HydrophobicContact CG1-CG1 3.39Å; V278-V304 HydrophobicContact CG1-CG2 3.75Å; D293-V304 HydrophobicContact CB-CG2 3.92Å; D293-V304 WeakPolarHBondContact OD2-CB 3.24Å; D293-V304 PolarHBondContact OD2-N 3.38Å; Y294-V304 HydrophobicContact CD2-CG2 3.76Å; Y294-V304 HydrophobicContact CE2-CG2 3.44Å; Y294-V304 VanDerWaalsContact CE2-CG2 3.44Å |
| 305 | K | 68.5 | Low | 67.8 | Low | 120 Ų | 120 | 61.8 Ų | 61.8 | 52% | 0.522 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -53.4 | 172.5 | -98.7 | -161.4 | 159.4 | 172.6 | 0 | 111.5 | K279 L281 V303 | K279-K305 HydrophobicContact CG-CB 4.28Å; K279-K305 PolarHBondContact O-N 2.82Å; L281-K305 HydrophobicContact CD1-CD 3.53Å; L281-K305 HydrophobicContact CD1-CG 3.89Å; L281-K305 HydrophobicContact CG-CD 3.91Å; L281-K305 HydrophobicContact CG-CG 4.15Å; V303-K305 PolarHBondContact O-N 3.31Å |
| 306 | N | 67.6 | Low | 68.9 | Low | 107 Ų | 107 | 58.1 Ų | 58.1 | 57% | 0.572 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 146 | -178.3 | -90.3 | -22.5 | 0 | 0 | 0 | 111.1 | K279 L308 | K279-N306 PolarHBondContact N-O 3.34Å; K279-N306 PolarHBondContact O-N 3.5Å; N306-L308 PolarHBondContact O-N 3.04Å |
| 307 | L | 63.3 | Low | 70 | Confident | 98 Ų | 98 | 58.6 Ų | 58.6 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 121.9 | 159.1 | -83.4 | 141.9 | 0 | 0 | 0 | 108.3 | V276 V278 | V276-L307 HydrophobicContact CG1-CD2 3.4Å; V278-L307 HydrophobicContact CG2-CD2 4.19Å |
| 308 | L | 62.6 | Low | 70.9 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -74.1 | -34.8 | 178.6 | -72.8 | 161.2 | 0 | 0 | 0 | 111.2 | L231 F277 K279 N306 E352 M355 | L231-L308 HydrophobicContact CD1-CD1 3.09Å; F277-L308 HydrophobicContact CB-CB 4.06Å; F277-L308 HydrophobicContact CB-CD1 4.13Å; F277-L308 PolarHBondContact O-N 2.85Å; K279-L308 HydrophobicContact CB-CD1 4.14Å; K279-L308 HydrophobicContact CB-CD2 4.14Å; K279-L308 HydrophobicContact CB-CG 3.96Å; N306-L308 PolarHBondContact O-N 3.04Å; L308-E352 HydrophobicContact CD2-CB 3.77Å; L308-E352 HydrophobicContact CD2-CG 3.51Å; L308-M355 HydrophobicContact CD1-SD 4.16Å; L308-M355 HydrophobicContact CD2-SD 4.39Å |
| 309 | C | 63.3 | Low | 71.7 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | trans | -127.8 | 132.8 | 170 | 63.9 | 0 | 0 | 0 | 0 | 108.9 | T311 | C309-T311 PolarHBondContact SG-O 3.41Š| ||
| 310 | K | 61.4 | Low | 72.6 | Confident | 183 Ų | 183 | 44.1 Ų | 44.1 | 80% | 0.796 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -72.3 | -22.4 | 171.1 | -73.8 | -170.2 | 177.4 | -175.5 | 0 | 112.1 | ||
| 311 | T | 66.4 | Low | 72.6 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 6% | 0.055 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -94.7 | 137.4 | -173.3 | 61.6 | 0 | 0 | 0 | 0 | 109.7 | C309 E344 | C309-T311 PolarHBondContact SG-O 3.41Å; T311-E344 HydrophobicContact CG2-CB 3.45Å; T311-E344 VanDerWaalsContact CG2-CB 3.45Å; T311-E344 HydrophobicContact CG2-CG 4.32Å; T311-E344 VanDerWaalsContact CG2-OE2 3.25Å; T311-E344 WeakPolarHBondContact CG2-OE2 3.38Å |
| 312 | C | 73.5 | Confident | 72.4 | Confident | 59 Ų | 59 | 47.4 Ų | 47.4 | 40% | 0.399 | 24% | 0.242 | S | C | . | . | trans | -73.3 | 127.2 | 169.4 | -67.8 | 0 | 0 | 0 | 0 | 108.8 | R274 V276 G341 | R274-C312 HydrophobicContact CB-CB 4.41Å; V276-C312 VanDerWaalsContact CG2-SG 3.52Å; C312-G341 PolarHBondContact O-N 2.91Å | ||
| 313 | V | 77.8 | Confident | 71.8 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 139.7 | -177 | -150.8 | 0 | 0 | 0 | 0 | 109.1 | V275 V338 H339 I346 | V275-V313 WeakPolarHBondContact CA-O 3.45Å; V275-V313 VanDerWaalsContact CB-O 3.23Å; V275-V313 WeakPolarHBondContact CB-O 3.47Å; V275-V313 WeakPolarHBondContact CG2-O 2.98Å; V275-V313 PolarHBondContact N-O 3.13Å; V275-V313 PolarHBondContact O-N 3.37Å; V313-V338 HydrophobicContact CB-CG1 4.31Å; V313-V338 HydrophobicContact CG1-CG1 3.22Å; V313-H339 VanDerWaalsContact CG1-O 3.29Å; V313-H339 WeakPolarHBondContact CG1-O 3.42Å; V313-I346 HydrophobicContact CG1-CD1 3.99Å; V313-I346 HydrophobicContact CG1-CG1 4.26Å |
| 314 | N | 84.2 | Confident | 71 | Confident | 30 Ų | 30 | 48 Ų | 48 | 16% | 0.16 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 146 | 167.7 | -66.7 | -22.2 | 0 | 0 | 0 | 107.9 | F272 R274 H339 | F272-N314 VanDerWaalsContact O-CA 3.3Å; F272-N314 WeakPolarHBondContact O-CA 3.34Å; R274-N314 PolarHBondContact N-OD1 2.81Å; N314-H339 WeakPolarHBondContact CB-CE1 3.04Å; N314-H339 WeakPolarHBondContact CB-ND1 3.39Å; N314-H339 VanDerWaalsContact CB-NE2 3.32Å; N314-H339 WeakPolarHBondContact CB-NE2 3.2Å; N314-H339 PolarHBondContact N-O 2.84Å; N314-H339 PolarHBondContact O-CD2 2.86Å; N314-H339 PolarHBondContact O-N 3.49Å |
| 315 | A | 82.3 | Confident | 70.1 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 11% | 0.107 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 137.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | F272 K337 V338 | F272-A315 HydrophobicContact CB-CB 4.28Å; F272-A315 WeakPolarHBondContact CB-O 3.38Å; F272-A315 HydrophobicContact CD2-CB 4.26Å; F272-A315 WeakPolarHBondContact CD2-O 3.21Å; F272-A315 PolarHBondContact N-O 3.46Å; F272-A315 PolarHBondContact O-N 3.23Å; A315-K337 CarbonylContact C-O 3.55Å; A315-K337 VanDerWaalsContact CA-O 3.31Å; A315-K337 WeakPolarHBondContact CA-O 3.28Å; A315-V338 HydrophobicContact CB-CG2 4.22Å |
| 316 | D | 85.1 | Confident | 69 | Low | 48 Ų | 48 | 47.3 Ų | 47.3 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 115.2 | 171.9 | -65.7 | -30.7 | 0 | 0 | 0 | 107.9 | A270 H271 V336 K337 H339 | A270-D316 WeakPolarHBondContact O-CA 3.24Å; H271-D316 WeakPolarHBondContact CB-OD1 3.22Å; H271-D316 IonicContact CD2-OD1 3.26Å; H271-D316 PolarHBondContact CD2-OD1 3.12Å; H271-D316 IonicContact CG-OD1 2.84Å; H271-D316 IonicContact NE2-OD1 2.73Å; D316-V336 WeakPolarHBondContact O-CA 3.37Å; D316-K337 HydrophobicContact CB-CB 4.46Å; D316-K337 PolarHBondContact N-O 2.9Å; D316-K337 PolarHBondContact O-N 3.3Å; D316-H339 IonicContact OD1-NE2 3.78Å; D316-H339 IonicContact OD2-NE2 2.86Å |
| 317 | A | 82.8 | Confident | 68.1 | Low | 16 Ų | 16 | 43 Ų | 43 | 13% | 0.132 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 122.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | V269 A270 F272 S335 V336 | V269-A317 WeakPolarHBondContact CA-O 3.49Å; A270-A317 HydrophobicContact CB-CB 4.45Å; A270-A317 PolarHBondContact N-O 2.78Å; A270-A317 PolarHBondContact O-N 2.74Å; F272-A317 HydrophobicContact CE2-CB 4Å; A317-S335 CarbonylContact C-O 3.52Å; A317-S335 WeakPolarHBondContact CA-O 3.28Å; A317-V336 HydrophobicContact CB-CG2 4.27Å |
| 318 | V | 79.6 | Confident | 67.4 | Low | 44 Ų | 44 | 44.2 Ų | 44.2 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 116 | 173.9 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | V269 S335 | V269-V318 HydrophobicContact CG1-CG2 4.08Å; V269-V318 HydrophobicContact CG2-CB 4.28Å; V269-V318 HydrophobicContact CG2-CG1 3.99Å; V269-V318 HydrophobicContact CG2-CG2 3.85Å; V318-S335 PolarHBondContact N-O 2.74Å; V318-S335 PolarHBondContact O-N 3.2Å |
| 319 | F | 74.4 | Confident | 66.9 | Low | 64 Ų | 64 | 46.8 Ų | 46.8 | 28% | 0.281 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 116.5 | 173.3 | -178.8 | -124 | 0 | 0 | 0 | 109.7 | K267 V268 R321 E333 L334 | K267-F319 CarbonylContact C-O 3.58Å; K267-F319 WeakPolarHBondContact CA-O 3.07Å; V268-F319 HydrophobicContact CB-CB 4.5Å; V268-F319 PolarHBondContact N-O 2.81Å; V268-F319 PolarHBondContact O-N 3.33Å; F319-R321 HydrophobicContact CD1-CG 4.06Å; F319-R321 HydrophobicContact CE1-CG 3.34Å; F319-R321 VanDerWaalsContact CE1-NE 3.33Å; F319-R321 HydrophobicContact CE2-CG 4.05Å; F319-R321 VanDerWaalsContact CZ-CD 3.42Å; F319-R321 HydrophobicContact CZ-CG 3.32Å; F319-E333 WeakPolarHBondContact CA-O 3.31Å; F319-L334 HydrophobicContact CB-CD1 4.25Å; F319-L334 HydrophobicContact CD2-CB 4.3Å; F319-L334 HydrophobicContact CD2-CD1 4.32Å |
| 320 | S | 74.5 | Confident | 66.5 | Low | 7 Ų | 7 | 51.1 Ų | 51.1 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 123.2 | -179.5 | -54.3 | 0 | 0 | 0 | 0 | 110.1 | D266 N332 E333 | D266-S320 CarbonylContact O-C 3.23Å; D266-S320 WeakPolarHBondContact O-CA 3Å; S320-N332 WeakPolarHBondContact O-CA 3.31Å; S320-E333 PolarHBondContact N-O 3.41Å; S320-E333 PolarHBondContact O-N 2.84Å |
| 321 | R | 66.4 | Low | 66.4 | Low | 74 Ų | 74 | 45.7 Ų | 45.7 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 142.7 | 177.2 | -75.1 | -173.5 | -64.5 | -178.8 | 6.6 | 112.2 | M265 D266 F319 N332 | M265-R321 CarbonylContact C-O 3.49Å; M265-R321 VanDerWaalsContact CA-O 3.3Å; M265-R321 WeakPolarHBondContact CA-O 3.46Å; D266-R321 PolarHBondContact N-O 3.44Å; D266-R321 PolarHBondContact O-N 3.48Å; D266-R321 IonicContact OD2-NH2 3.86Å; D266-R321 PolarHBondContact OD2-NH2 2.83Å; F319-R321 HydrophobicContact CD1-CG 4.06Å; F319-R321 HydrophobicContact CE1-CG 3.34Å; F319-R321 VanDerWaalsContact CE1-NE 3.33Å; F319-R321 HydrophobicContact CE2-CG 4.05Å; F319-R321 VanDerWaalsContact CZ-CD 3.42Å; F319-R321 HydrophobicContact CZ-CG 3.32Å; R321-N332 WeakPolarHBondContact CA-OD1 3.3Å |
| 322 | H | 66.1 | Low | 66.3 | Low | 33 Ų | 33 | 46.3 Ų | 46.3 | 15% | 0.153 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 124.8 | 168.3 | -78.9 | -94 | 0 | 0 | 0 | 111.2 | H263 M265 R330 N332 | H263-H322 AromaticContact CG-CE1 3.95Å; H263-H322 AromaticContact CG-ND1 3.98Å; M265-H322 HydrophobicContact SD-CB 4.27Å; M265-H322 PolarHBondContact SD-CD2 3.02Å; M265-H322 PolarHBondContact SD-CE1 3.35Å; M265-H322 PolarHBondContact SD-NE2 3.31Å; M265-H322 VanDerWaalsContact SD-NE2 3.37Å; H322-R330 HydrophobicContact CB-CG 4.15Å; H322-N332 PolarHBondContact N-OD1 2.97Å |
| 323 | L | 61.6 | Low | 66.2 | Low | 31 Ų | 31 | 46.4 Ų | 46.4 | 16% | 0.162 | 27% | 0.27 | C | S | . | . | trans | -89.6 | -10.6 | 175.7 | -69.5 | -179.6 | 0 | 0 | 0 | 113.8 | G205 R207 L264 D266 S325 | G205-L323 PolarHBondContact N-O 3.03Å; R207-L323 HydrophobicContact CG-CD1 4.22Å; L264-L323 HydrophobicContact CB-CB 4.34Å; L264-L323 HydrophobicContact CD2-CB 4.02Å; L264-L323 HydrophobicContact CD2-CD1 3.76Å; L264-L323 HydrophobicContact CG-CB 4.16Å; L264-L323 HydrophobicContact CG-CD1 4Å; L264-L323 PolarHBondContact O-N 3.48Å; D266-L323 HydrophobicContact CB-CD1 3.82Å; D266-L323 HydrophobicContact CB-CD2 3.95Å; D266-L323 HydrophobicContact CB-CG 3.76Å; L323-S325 PolarHBondContact O-N 3.28Å | ||
| 324 | C | 59.3 | Low | 65.7 | Low | 11 Ų | 11 | 48.3 Ų | 48.3 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | trans | -74.1 | 121.4 | 179.8 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | L264 G326 R330 | L264-C324 PolarHBondContact N-SG 2.86Å; C324-G326 PolarHBondContact O-N 3.4Å; C324-R330 PolarHBondContact O-NE 2.8Å; C324-R330 PolarHBondContact O-NH2 3.2Å | ||
| 325 | S | 50.6 | Low | 65.4 | Low | 80 Ų | 80 | 48 Ų | 48 | 56% | 0.559 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 113.2 | 165.8 | 51 | 0 | 0 | 0 | 0 | 110.1 | L323 R330 | L323-S325 PolarHBondContact O-N 3.28Å; S325-R330 VanDerWaalsContact CA-NH2 3.34Å |
| 326 | G | 46.7 | Very low | 65.3 | Low | 67 Ų | 67 | 48.6 Ų | 48.6 | 69% | 0.691 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.4 | -10.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 118 | C324 | C324-G326 PolarHBondContact O-N 3.4Š|
| 327 | C | 48.4 | Very low | 65.1 | Low | 16 Ų | 16 | 52.3 Ų | 52.3 | 11% | 0.108 | 30% | 0.296 | C | S | . | . | trans | -81.7 | 131.9 | -177.2 | -51.3 | 0 | 0 | 0 | 0 | 112.6 | H263 C329 R330 | H263-C327 PolarHBondContact CE1-SG 2.96Å; H263-C327 PolarHBondContact ND1-SG 3.23Å; H263-C327 VanDerWaalsContact ND1-SG 3.36Å; C327-C329 VanDerWaalsContact C-N 3.3Å; C327-R330 WeakPolarHBondContact O-CG 3.39Å | ||
| 328 | V | 47.9 | Very low | 65 | Low | 123 Ų | 123 | 52.8 Ų | 52.8 | 75% | 0.745 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -24.6 | 174.8 | -167.1 | 0 | 0 | 0 | 0 | 111.5 | R330 | V328-R330 PolarHBondContact O-N 3.06Š|
| 329 | C | 52.2 | Low | 64.8 | Low | 65 Ų | 65 | 53.6 Ų | 53.6 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 23.9 | 180 | 60.9 | 0 | 0 | 0 | 0 | 115.3 | H263 C327 V331 | H263-C329 PolarHBondContact CE1-SG 3.39Å; H263-C329 PolarHBondContact NE2-SG 3.48Å; C327-C329 VanDerWaalsContact C-N 3.3Å; C329-V331 PolarHBondContact O-N 3.04Å |
| 330 | R | 54.6 | Low | 64.6 | Low | 97 Ų | 97 | 51.8 Ų | 51.8 | 37% | 0.366 | 29% | 0.294 | S | S | . | . | trans | -70.6 | 88.8 | -179.3 | -77.8 | 173.9 | 175.8 | -168.6 | -2.2 | 111.4 | H322 C324 S325 C327 V328 | H322-R330 HydrophobicContact CB-CG 4.15Å; C324-R330 PolarHBondContact O-NE 2.8Å; C324-R330 PolarHBondContact O-NH2 3.2Å; S325-R330 VanDerWaalsContact CA-NH2 3.34Å; C327-R330 WeakPolarHBondContact O-CG 3.39Å; V328-R330 PolarHBondContact O-N 3.06Å | ||
| 331 | V | 59.8 | Low | 63.9 | Low | 69 Ų | 69 | 54 Ų | 54 | 42% | 0.418 | 32% | 0.317 | S | S | . | . | trans | -103.8 | 98.3 | 164.3 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | C329 G390 R392 | C329-V331 PolarHBondContact O-N 3.04Å; V331-G390 WeakPolarHBondContact CA-O 3.36Å; V331-G390 WeakPolarHBondContact CB-O 3.39Å; V331-G390 WeakPolarHBondContact CG1-O 3.41Å; V331-R392 HydrophobicContact CG1-CB 3.76Å | ||
| 332 | N | 64.1 | Low | 63.8 | Low | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.112 | 33% | 0.327 | C | S | . | . | trans | -68.5 | 139.8 | 168.9 | -64.6 | -31.7 | 0 | 0 | 0 | 107.9 | S320 R321 H322 S388 T391 R392 | S320-N332 WeakPolarHBondContact O-CA 3.31Å; R321-N332 WeakPolarHBondContact CA-OD1 3.3Å; H322-N332 PolarHBondContact N-OD1 2.97Å; N332-S388 PolarHBondContact ND2-OG 3.43Å; N332-T391 HydrophobicContact CB-CG2 4.18Å; N332-T391 CarbonylContact O-C 3.54Å; N332-T391 VanDerWaalsContact O-CA 3.23Å; N332-T391 WeakPolarHBondContact O-CA 3.21Å; N332-T391 WeakPolarHBondContact O-CG2 3.46Å; N332-R392 PolarHBondContact O-N 2.77Å | ||
| 333 | E | 71.7 | Confident | 63.5 | Low | 61 Ų | 61 | 63.4 Ų | 63.4 | 29% | 0.285 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.2 | -177.1 | -165.8 | -176.2 | 127.9 | 0 | 0 | 109.4 | F319 S320 S335 R392 I394 | F319-E333 WeakPolarHBondContact CA-O 3.31Å; S320-E333 PolarHBondContact N-O 3.41Å; S320-E333 PolarHBondContact O-N 2.84Å; E333-S335 PolarHBondContact OE1-OG 3.1Å; E333-R392 CarbonylContact C-O 3.47Å; E333-R392 WeakPolarHBondContact CA-O 3.39Å; E333-R392 HydrophobicContact CG-CB 4.49Å; E333-I394 HydrophobicContact CG-CD1 4.13Å; E333-I394 HydrophobicContact CG-CG1 4.41Å; E333-I394 WeakPolarHBondContact OE1-CD1 3.4Å |
| 334 | L | 68.5 | Low | 63.7 | Low | 44 Ų | 44 | 67.7 Ų | 67.7 | 23% | 0.23 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 106.9 | 166.4 | 176 | 64.1 | 0 | 0 | 0 | 107.9 | F319 V336 R392 V393 I394 | F319-L334 HydrophobicContact CB-CD1 4.25Å; F319-L334 HydrophobicContact CD2-CB 4.3Å; F319-L334 HydrophobicContact CD2-CD1 4.32Å; L334-V336 HydrophobicContact CD1-CG2 4.1Å; L334-V336 HydrophobicContact CD2-CG2 4.33Å; L334-V336 HydrophobicContact CG-CG2 3.93Å; L334-R392 PolarHBondContact N-O 3.07Å; L334-V393 HydrophobicContact CB-CG2 4.44Å; L334-V393 HydrophobicContact CD2-CG1 4.45Å; L334-V393 CarbonylContact O-C 3.56Å; L334-V393 WeakPolarHBondContact O-CA 3.44Å; L334-I394 PolarHBondContact O-N 3.19Å |
| 335 | S | 77.8 | Confident | 64.2 | Low | 24 Ų | 24 | 67.7 Ų | 67.7 | 17% | 0.168 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 113.3 | 178.8 | -79.7 | 0 | 0 | 0 | 0 | 109.2 | A317 V318 E333 I394 | A317-S335 CarbonylContact C-O 3.52Å; A317-S335 WeakPolarHBondContact CA-O 3.28Å; V318-S335 PolarHBondContact N-O 2.74Å; V318-S335 PolarHBondContact O-N 3.2Å; E333-S335 PolarHBondContact OE1-OG 3.1Å; S335-I394 CarbonylContact C-O 3.56Å; S335-I394 WeakPolarHBondContact CA-O 3.33Å |
| 336 | V | 79.1 | Confident | 65.1 | Low | 25 Ų | 25 | 64.3 Ų | 64.3 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.1 | -179.6 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | D316 A317 L334 V338 I394 M395 H396 | D316-V336 WeakPolarHBondContact O-CA 3.37Å; A317-V336 HydrophobicContact CB-CG2 4.27Å; L334-V336 HydrophobicContact CD1-CG2 4.1Å; L334-V336 HydrophobicContact CD2-CG2 4.33Å; L334-V336 HydrophobicContact CG-CG2 3.93Å; V336-V338 HydrophobicContact CG1-CG2 3.78Å; V336-I394 PolarHBondContact N-O 3.18Å; V336-M395 HydrophobicContact CB-CG 4.42Å; V336-M395 WeakPolarHBondContact O-CA 3.23Å; V336-H396 PolarHBondContact O-N 3.03Å |
| 337 | K | 82.2 | Confident | 66.3 | Low | 126 Ų | 126 | 67.2 Ų | 67.2 | 55% | 0.548 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.5 | 169.1 | -75.1 | -173.1 | 171 | -169.1 | 0 | 108.7 | A315 D316 H396 | A315-K337 CarbonylContact C-O 3.55Å; A315-K337 VanDerWaalsContact CA-O 3.31Å; A315-K337 WeakPolarHBondContact CA-O 3.28Å; D316-K337 HydrophobicContact CB-CB 4.46Å; D316-K337 PolarHBondContact N-O 2.9Å; D316-K337 PolarHBondContact O-N 3.3Å; K337-H396 WeakPolarHBondContact CA-O 3.44Å; K337-H396 HydrophobicContact CG-CB 4.01Å |
| 338 | V | 80.4 | Confident | 67.2 | Low | 26 Ų | 26 | 67.6 Ų | 67.6 | 16% | 0.158 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120 | 179.3 | -179.3 | 0 | 0 | 0 | 0 | 108 | V313 A315 V336 I346 H396 L397 D398 | V313-V338 HydrophobicContact CB-CG1 4.31Å; V313-V338 HydrophobicContact CG1-CG1 3.22Å; A315-V338 HydrophobicContact CB-CG2 4.22Å; V336-V338 HydrophobicContact CG1-CG2 3.78Å; V338-I346 HydrophobicContact CG1-CD1 3.74Å; V338-H396 PolarHBondContact N-O 2.59Å; V338-L397 HydrophobicContact CB-CD2 3.59Å; V338-L397 HydrophobicContact CB-CG 4.45Å; V338-L397 HydrophobicContact CG1-CD2 3.88Å; V338-L397 HydrophobicContact CG2-CD2 3.93Å; V338-D398 PolarHBondContact O-N 3.09Å |
| 339 | H | 75.3 | Confident | 68.1 | Low | 62 Ų | 62 | 64.7 Ų | 64.7 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 131.9 | -175.7 | 52.7 | 115.8 | 0 | 0 | 0 | 110 | V313 N314 D316 G341 | V313-H339 VanDerWaalsContact CG1-O 3.29Å; V313-H339 WeakPolarHBondContact CG1-O 3.42Å; N314-H339 WeakPolarHBondContact CB-CE1 3.04Å; N314-H339 WeakPolarHBondContact CB-ND1 3.39Å; N314-H339 VanDerWaalsContact CB-NE2 3.32Å; N314-H339 WeakPolarHBondContact CB-NE2 3.2Å; N314-H339 PolarHBondContact N-O 2.84Å; N314-H339 PolarHBondContact O-CD2 2.86Å; N314-H339 PolarHBondContact O-N 3.49Å; D316-H339 IonicContact OD1-NE2 3.78Å; D316-H339 IonicContact OD2-NE2 2.86Å; H339-G341 PolarHBondContact O-N 3.21Å |
| 340 | S | 69.2 | Low | 68.5 | Low | 26 Ų | 26 | 63.5 Ų | 63.5 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 129 | 173.4 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | G342 E344 | S340-G342 PolarHBondContact O-N 2.82Å; S340-G342 PolarHBondContact OG-O 2.97Å; S340-G342 VanDerWaalsContact OG-O 3.08Å; S340-E344 WeakPolarHBondContact CB-O 3.31Å; S340-E344 PolarHBondContact OG-O 3.35Å |
| 341 | G | 61 | Low | 68.9 | Low | 52 Ų | 52 | 62.8 Ų | 62.8 | 54% | 0.536 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -68.3 | 0.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | C312 H339 | C312-G341 PolarHBondContact O-N 2.91Å; H339-G341 PolarHBondContact O-N 3.21Å |
| 342 | G | 62.9 | Low | 69.1 | Low | 48 Ų | 48 | 60.4 Ų | 60.4 | 50% | 0.495 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -158.2 | -167.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S340 E344 | S340-G342 PolarHBondContact O-N 2.82Å; S340-G342 PolarHBondContact OG-O 2.97Å; S340-G342 VanDerWaalsContact OG-O 3.08Å; G342-E344 PolarHBondContact O-N 3.48Å; G342-E344 VanDerWaalsContact O-N 3.12Å |
| 343 | R | 60.5 | Low | 69 | Low | 257 Ų | 257 | 62.1 Ų | 62.1 | 97% | 0.97 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -70.2 | 0.1 | -180 | -77.1 | -173.6 | 177.8 | -176.6 | -0.2 | 114.7 | ||
| 344 | E | 65.1 | Low | 68.6 | Low | 121 Ų | 121 | 65.7 Ų | 65.7 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | trans | -87.9 | 141.3 | -174.9 | -55.6 | -175 | 141.2 | 0 | 0 | 111.6 | T311 S340 G342 | T311-E344 HydrophobicContact CG2-CB 3.45Å; T311-E344 VanDerWaalsContact CG2-CB 3.45Å; T311-E344 HydrophobicContact CG2-CG 4.32Å; T311-E344 VanDerWaalsContact CG2-OE2 3.25Å; T311-E344 WeakPolarHBondContact CG2-OE2 3.38Å; S340-E344 WeakPolarHBondContact CB-O 3.31Å; S340-E344 PolarHBondContact OG-O 3.35Å; G342-E344 PolarHBondContact O-N 3.48Å; G342-E344 VanDerWaalsContact O-N 3.12Å | ||
| 345 | S | 69.4 | Low | 68.5 | Low | 12 Ų | 12 | 64 Ų | 64 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | trans | -77.6 | 152 | 176.6 | 46.9 | 0 | 0 | 0 | 0 | 112.3 | R347 N399 D401 | S345-R347 PolarHBondContact O-N 2.85Å; S345-N399 CarbonylContact C-O 3.47Å; S345-N399 VanDerWaalsContact CA-O 3.22Å; S345-N399 WeakPolarHBondContact CA-O 3.41Å; S345-N399 WeakPolarHBondContact CB-O 3.26Å; S345-D401 WeakPolarHBondContact CB-OD2 3.36Å; S345-D401 VanDerWaalsContact OG-CG 3.28Å; S345-D401 PolarHBondContact OG-OD2 2.72Å | ||
| 346 | I | 70.2 | Confident | 67.9 | Low | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.046 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 102.3 | 172.6 | -56.1 | 171.9 | 0 | 0 | 0 | 107.8 | V313 V338 L348 L397 N399 V400 D401 | V313-I346 HydrophobicContact CG1-CD1 3.99Å; V313-I346 HydrophobicContact CG1-CG1 4.26Å; V338-I346 HydrophobicContact CG1-CD1 3.74Å; I346-L348 HydrophobicContact CG2-CG 4.29Å; I346-L397 HydrophobicContact CD1-CD2 4.02Å; I346-N399 PolarHBondContact N-O 3.23Å; I346-V400 HydrophobicContact CB-CG2 4.44Å; I346-V400 CarbonylContact O-C 3.53Å; I346-V400 WeakPolarHBondContact O-CA 3.43Å; I346-D401 PolarHBondContact O-N 3.12Å |
| 347 | R | 71.5 | Confident | 66.9 | Low | 128 Ų | 128 | 73.4 Ų | 73.4 | 48% | 0.483 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 123.8 | 178.7 | -71.3 | 178.4 | -178.7 | -173.8 | 4.7 | 110.4 | S345 D401 I403 | S345-R347 PolarHBondContact O-N 2.85Å; R347-D401 CarbonylContact C-O 3.48Å; R347-D401 WeakPolarHBondContact CA-O 3.13Å; R347-D401 HydrophobicContact CG-CB 4.01Å; R347-I403 HydrophobicContact CB-CD1 3.77Å; R347-I403 HydrophobicContact CG-CD1 3.91Å |
| 348 | L | 67.1 | Low | 66 | Low | 23 Ų | 23 | 73.8 Ų | 73.8 | 12% | 0.12 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 121.3 | 178.1 | -71.9 | 174.3 | 0 | 0 | 0 | 111.3 | I346 E352 V353 F356 V400 D401 F402 I403 | I346-L348 HydrophobicContact CG2-CG 4.29Å; L348-E352 VanDerWaalsContact CA-OE2 3.3Å; L348-E352 WeakPolarHBondContact CA-OE2 3.45Å; L348-E352 HydrophobicContact CD2-CB 4.5Å; L348-V353 HydrophobicContact CB-CG2 4.26Å; L348-F356 HydrophobicContact CD2-CE2 4.45Å; L348-V400 HydrophobicContact CD1-CG1 3.76Å; L348-V400 HydrophobicContact CG-CG1 4.3Å; L348-D401 PolarHBondContact N-O 3.35Å; L348-F402 HydrophobicContact CB-CD1 4.4Å; L348-F402 HydrophobicContact CB-CE1 4.45Å; L348-F402 HydrophobicContact CD1-CE1 4.48Å; L348-F402 HydrophobicContact CD1-CZ 4.32Å; L348-F402 CarbonylContact O-C 3.55Å; L348-F402 WeakPolarHBondContact O-CA 3.25Å; L348-I403 PolarHBondContact O-N 3.04Å |
| 349 | Q | 66.9 | Low | 65.1 | Low | 62 Ų | 62 | 72.9 Ų | 72.9 | 29% | 0.29 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 156.7 | 170 | -55.9 | -173.2 | -1.6 | 0 | 0 | 111.6 | D351 E352 V353 I403 | Q349-D351 PolarHBondContact O-N 3.42Å; Q349-D351 VanDerWaalsContact O-N 3.13Å; Q349-E352 HydrophobicContact CB-CG 3.95Å; Q349-E352 PolarHBondContact N-OE2 3.33Å; Q349-E352 VanDerWaalsContact O-CB 3.31Å; Q349-E352 WeakPolarHBondContact O-CB 3.29Å; Q349-E352 PolarHBondContact O-N 2.74Å; Q349-V353 WeakPolarHBondContact O-CG2 3.3Å; Q349-V353 PolarHBondContact O-N 3.23Å; Q349-V353 VanDerWaalsContact O-N 3.17Å; Q349-I403 WeakPolarHBondContact CA-O 3.48Å; Q349-I403 HydrophobicContact CG-CB 4.18Å; Q349-I403 HydrophobicContact CG-CG2 4.43Å |
| 350 | A | 61.8 | Low | 64.2 | Low | 41 Ų | 41 | 72.8 Ų | 72.8 | 34% | 0.339 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -54.4 | -35.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | E352 R354 | A350-E352 VanDerWaalsContact C-N 3.28Å; A350-E352 PolarHBondContact O-N 3.11Å; A350-R354 PolarHBondContact O-N 2.98Å; A350-R354 VanDerWaalsContact O-N 3.11Å |
| 351 | D | 63.1 | Low | 63.5 | Low | 82 Ų | 82 | 77.2 Ų | 77.2 | 44% | 0.439 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.5 | -29.2 | 179.5 | -58.7 | -20.8 | 0 | 0 | 0 | 112.4 | Q349 R354 M355 | Q349-D351 PolarHBondContact O-N 3.42Å; Q349-D351 VanDerWaalsContact O-N 3.13Å; D351-R354 IonicContact OD1-CZ 3.56Å; D351-R354 VanDerWaalsContact OD1-CZ 3.22Å; D351-R354 IonicContact OD1-NH1 3.52Å; D351-R354 PolarHBondContact OD1-NH1 2.97Å; D351-R354 IonicContact OD1-NH2 2.8Å; D351-R354 PolarHBondContact OD1-NH2 3.07Å; D351-M355 PolarHBondContact O-N 2.92Å |
| 352 | E | 62.6 | Low | 63.2 | Low | 18 Ų | 18 | 76.4 Ų | 76.4 | 8% | 0.084 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -78.4 | -42.5 | -177.4 | -51.3 | 174.7 | 165.3 | 0 | 0 | 109.5 | L308 L348 Q349 A350 R354 M355 F356 | L308-E352 HydrophobicContact CD2-CB 3.77Å; L308-E352 HydrophobicContact CD2-CG 3.51Å; L348-E352 VanDerWaalsContact CA-OE2 3.3Å; L348-E352 WeakPolarHBondContact CA-OE2 3.45Å; L348-E352 HydrophobicContact CD2-CB 4.5Å; Q349-E352 HydrophobicContact CB-CG 3.95Å; Q349-E352 PolarHBondContact N-OE2 3.33Å; Q349-E352 VanDerWaalsContact O-CB 3.31Å; Q349-E352 WeakPolarHBondContact O-CB 3.29Å; Q349-E352 PolarHBondContact O-N 2.74Å; A350-E352 VanDerWaalsContact C-N 3.28Å; A350-E352 PolarHBondContact O-N 3.11Å; E352-R354 VanDerWaalsContact C-N 3.3Å; E352-R354 PolarHBondContact O-N 3.5Å; E352-M355 PolarHBondContact O-N 2.86Å; E352-F356 VanDerWaalsContact O-CD2 3.29Å; E352-F356 WeakPolarHBondContact O-CD2 3.33Å; E352-F356 PolarHBondContact O-N 3.4Å |
| 353 | V | 63.6 | Low | 62.7 | Low | 57 Ų | 57 | 74.6 Ų | 74.6 | 35% | 0.345 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 171.2 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | L348 Q349 F356 R357 F402 | L348-V353 HydrophobicContact CB-CG2 4.26Å; Q349-V353 WeakPolarHBondContact O-CG2 3.3Å; Q349-V353 PolarHBondContact O-N 3.23Å; Q349-V353 VanDerWaalsContact O-N 3.17Å; V353-F356 PolarHBondContact O-N 2.82Å; V353-R357 WeakPolarHBondContact O-CB 3.19Å; V353-R357 PolarHBondContact O-N 3.21Å; V353-F402 HydrophobicContact CG2-CD1 4.17Å; V353-F402 HydrophobicContact CG2-CE1 3.54Å |
| 354 | R | 63 | Low | 62.1 | Low | 137 Ų | 137 | 67.1 Ų | 67.1 | 52% | 0.517 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 174.7 | -108 | -176.5 | -86.1 | 112.8 | 3.5 | 112 | A350 D351 E352 R357 R358 | A350-R354 PolarHBondContact O-N 2.98Å; A350-R354 VanDerWaalsContact O-N 3.11Å; D351-R354 IonicContact OD1-CZ 3.56Å; D351-R354 VanDerWaalsContact OD1-CZ 3.22Å; D351-R354 IonicContact OD1-NH1 3.52Å; D351-R354 PolarHBondContact OD1-NH1 2.97Å; D351-R354 IonicContact OD1-NH2 2.8Å; D351-R354 PolarHBondContact OD1-NH2 3.07Å; E352-R354 VanDerWaalsContact C-N 3.3Å; E352-R354 PolarHBondContact O-N 3.5Å; R354-R357 PolarHBondContact O-N 3.31Å; R354-R358 PolarHBondContact O-N 3.38Å |
| 355 | M | 66.5 | Low | 60.9 | Low | 7 Ų | 7 | 61.9 Ų | 61.9 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 175.5 | 169.7 | 175.4 | -83.1 | 0 | 0 | 111.7 | N229 K279 L308 D351 E352 R357 R358 I359 | N229-M355 HydrophobicContact CB-CE 4.29Å; K279-M355 HydrophobicContact CB-CE 4.47Å; K279-M355 HydrophobicContact CB-SD 4.42Å; K279-M355 HydrophobicContact CD-CE 3.47Å; K279-M355 VanDerWaalsContact CD-CE 3.47Å; K279-M355 HydrophobicContact CD-SD 4.11Å; K279-M355 VanDerWaalsContact CE-CE 3.42Å; K279-M355 HydrophobicContact CG-CE 3.69Å; K279-M355 HydrophobicContact CG-SD 4.26Å; L308-M355 HydrophobicContact CD1-SD 4.16Å; L308-M355 HydrophobicContact CD2-SD 4.39Å; D351-M355 PolarHBondContact O-N 2.92Å; E352-M355 PolarHBondContact O-N 2.86Å; M355-R357 VanDerWaalsContact C-N 3.32Å; M355-R357 PolarHBondContact O-N 3.07Å; M355-R358 PolarHBondContact O-N 3Å; M355-R358 VanDerWaalsContact O-N 3.13Å; M355-I359 HydrophobicContact CG-CD1 3.64Å; M355-I359 HydrophobicContact CG-CG1 4.32Å; M355-I359 WeakPolarHBondContact O-CG1 3.3Å; M355-I359 PolarHBondContact O-N 3.43Å; M355-I359 HydrophobicContact SD-CD1 4.34Å |
| 356 | F | 64.9 | Low | 59.4 | Low | 67 Ų | 67 | 67.2 Ų | 67.2 | 29% | 0.294 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 177.2 | -87.8 | -71.9 | 0 | 0 | 0 | 111.4 | L231 L348 E352 V353 R358 I359 V360 | L231-F356 HydrophobicContact CD2-CE1 4.07Å; L231-F356 HydrophobicContact CD2-CZ 4.48Å; L348-F356 HydrophobicContact CD2-CE2 4.45Å; E352-F356 VanDerWaalsContact O-CD2 3.29Å; E352-F356 WeakPolarHBondContact O-CD2 3.33Å; E352-F356 PolarHBondContact O-N 3.4Å; V353-F356 PolarHBondContact O-N 2.82Å; F356-R358 VanDerWaalsContact C-N 3.33Å; F356-R358 PolarHBondContact O-N 3.21Å; F356-I359 PolarHBondContact O-N 2.91Å; F356-V360 WeakPolarHBondContact O-CB 3.49Å; F356-V360 VanDerWaalsContact O-CG2 3.29Å; F356-V360 WeakPolarHBondContact O-CG2 3.29Å; F356-V360 PolarHBondContact O-N 3.19Å |
| 357 | R | 58.6 | Low | 57.6 | Low | 180 Ų | 180 | 69.5 Ų | 69.5 | 68% | 0.679 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.4 | -43.3 | 175.1 | -177 | 179 | 171.9 | -174.4 | -3.2 | 111.8 | V353 R354 M355 K361 | V353-R357 WeakPolarHBondContact O-CB 3.19Å; V353-R357 PolarHBondContact O-N 3.21Å; R354-R357 PolarHBondContact O-N 3.31Å; M355-R357 VanDerWaalsContact C-N 3.32Å; M355-R357 PolarHBondContact O-N 3.07Å; R357-K361 WeakPolarHBondContact O-CB 3.26Å; R357-K361 PolarHBondContact O-N 3.49Å |
| 358 | R | 62.1 | Low | 55.6 | Low | 134 Ų | 134 | 68.9 Ų | 68.9 | 51% | 0.506 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.7 | -42.8 | 176.9 | -79.1 | -177.6 | 178 | -179.8 | -3.7 | 112.5 | E223 R354 M355 F356 V360 K361 E362 | E223-R358 HydrophobicContact CG-CB 4.14Å; E223-R358 WeakPolarHBondContact OE1-CD 3.39Å; E223-R358 IonicContact OE1-CZ 2.66Å; E223-R358 IonicContact OE1-NE 2.67Å; E223-R358 IonicContact OE1-NH1 3.83Å; E223-R358 PolarHBondContact OE1-NH1 3.39Å; R354-R358 PolarHBondContact O-N 3.38Å; M355-R358 PolarHBondContact O-N 3Å; M355-R358 VanDerWaalsContact O-N 3.13Å; F356-R358 VanDerWaalsContact C-N 3.33Å; F356-R358 PolarHBondContact O-N 3.21Å; R358-V360 PolarHBondContact O-N 2.74Å; R358-K361 CarbonylContact O-C 3.49Å; R358-K361 PolarHBondContact O-N 2.73Å; R358-E362 WeakPolarHBondContact O-CB 3.41Å; R358-E362 WeakPolarHBondContact O-CG 3.44Å; R358-E362 PolarHBondContact O-N 2.93Å |
| 359 | I | 61.3 | Low | 53.7 | Low | 8 Ų | 8 | 74.1 Ų | 74.1 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 175.6 | -70.3 | 167.6 | 0 | 0 | 0 | 110.5 | V221 L231 M355 F356 K361 E362 N363 | V221-I359 HydrophobicContact CG1-CG2 3.89Å; L231-I359 HydrophobicContact CB-CD1 3.61Å; L231-I359 HydrophobicContact CD2-CD1 3.74Å; L231-I359 HydrophobicContact CG-CD1 4.26Å; M355-I359 HydrophobicContact CG-CD1 3.64Å; M355-I359 HydrophobicContact CG-CG1 4.32Å; M355-I359 WeakPolarHBondContact O-CG1 3.3Å; M355-I359 PolarHBondContact O-N 3.43Å; M355-I359 HydrophobicContact SD-CD1 4.34Å; F356-I359 PolarHBondContact O-N 2.91Å; I359-K361 VanDerWaalsContact C-N 3.34Å; I359-E362 PolarHBondContact O-N 3.19Å; I359-N363 WeakPolarHBondContact O-CA 3.36Å; I359-N363 VanDerWaalsContact O-CB 3.23Å; I359-N363 WeakPolarHBondContact O-CB 3.43Å; I359-N363 PolarHBondContact O-N 2.86Å; I359-N363 PolarHBondContact O-ND2 3.28Å |
| 360 | V | 57.2 | Low | 51.8 | Low | 59 Ų | 59 | 80.7 Ų | 80.7 | 36% | 0.358 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 175.3 | 175.7 | 0 | 0 | 0 | 0 | 110.4 | F356 R358 F364 G365 | F356-V360 WeakPolarHBondContact O-CB 3.49Å; F356-V360 VanDerWaalsContact O-CG2 3.29Å; F356-V360 WeakPolarHBondContact O-CG2 3.29Å; F356-V360 PolarHBondContact O-N 3.19Å; R358-V360 PolarHBondContact O-N 2.74Å; V360-F364 CarbonylContact O-C 3.56Å; V360-F364 VanDerWaalsContact O-C 3.27Å; V360-F364 VanDerWaalsContact O-CA 3.27Å; V360-F364 WeakPolarHBondContact O-CA 3.14Å; V360-F364 WeakPolarHBondContact O-CB 3.22Å; V360-F364 PolarHBondContact O-N 3.09Å; V360-F364 VanDerWaalsContact O-N 3.11Å; V360-G365 PolarHBondContact O-N 3.15Å; V360-G365 VanDerWaalsContact O-N 3.07Å |
| 361 | K | 53.8 | Low | 50 | Low | 120 Ų | 120 | 86.2 Ų | 86.2 | 52% | 0.522 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.6 | -34.8 | 180 | -172.4 | -176.6 | 175.8 | -167.9 | 0 | 113.8 | R357 R358 I359 G365 E366 | R357-K361 WeakPolarHBondContact O-CB 3.26Å; R357-K361 PolarHBondContact O-N 3.49Å; R358-K361 CarbonylContact O-C 3.49Å; R358-K361 PolarHBondContact O-N 2.73Å; I359-K361 VanDerWaalsContact C-N 3.34Å; K361-G365 CarbonylContact O-C 3.57Å; K361-G365 WeakPolarHBondContact O-CA 3.19Å; K361-G365 PolarHBondContact O-N 2.71Å; K361-E366 PolarHBondContact O-N 3.19Å |
| 362 | E | 54.9 | Low | 48.2 | Very low | 35 Ų | 35 | 91.3 Ų | 91.3 | 16% | 0.164 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -105.6 | -27.4 | -171.9 | -59.6 | -150.5 | 165.2 | 0 | 0 | 113.9 | N224 R358 I359 N367 | N224-E362 HydrophobicContact CB-CB 4.24Å; N224-E362 WeakPolarHBondContact CB-OE2 3.32Å; N224-E362 PolarHBondContact ND2-OE2 3.24Å; R358-E362 WeakPolarHBondContact O-CB 3.41Å; R358-E362 WeakPolarHBondContact O-CG 3.44Å; R358-E362 PolarHBondContact O-N 2.93Å; I359-E362 PolarHBondContact O-N 3.19Å; E362-N367 HydrophobicContact CG-CB 4.03Å; E362-N367 PolarHBondContact OE1-ND2 3.44Å |
| 363 | N | 51.9 | Low | 46.4 | Very low | 9 Ų | 9 | 95.4 Ų | 95.4 | 5% | 0.048 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -93 | -31.8 | 172.8 | -66.9 | -74.4 | 0 | 0 | 0 | 112.8 | P222 E223 I359 N386 | P222-N363 PolarHBondContact O-ND2 2.82Å; E223-N363 PolarHBondContact O-ND2 2.84Å; I359-N363 WeakPolarHBondContact O-CA 3.36Å; I359-N363 VanDerWaalsContact O-CB 3.23Å; I359-N363 WeakPolarHBondContact O-CB 3.43Å; I359-N363 PolarHBondContact O-N 2.86Å; I359-N363 PolarHBondContact O-ND2 3.28Å; N363-N386 PolarHBondContact O-ND2 3.07Å; N363-N386 VanDerWaalsContact O-ND2 3.11Å |
| 364 | F | 48.6 | Very low | 44.6 | Very low | 100 Ų | 100 | 103.3 Ų | 103.3 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -107.7 | -4.9 | 176.7 | -58.7 | -87.3 | 0 | 0 | 0 | 113 | V360 F385 | V360-F364 CarbonylContact O-C 3.56Å; V360-F364 VanDerWaalsContact O-C 3.27Å; V360-F364 VanDerWaalsContact O-CA 3.27Å; V360-F364 WeakPolarHBondContact O-CA 3.14Å; V360-F364 WeakPolarHBondContact O-CB 3.22Å; V360-F364 PolarHBondContact O-N 3.09Å; V360-F364 VanDerWaalsContact O-N 3.11Å; F364-F385 WeakPolarHBondContact O-CD1 3.37Å; F364-F385 WeakPolarHBondContact O-CE1 3.41Å |
| 365 | G | 40.5 | Very low | 42.9 | Very low | 12 Ų | 12 | 100.9 Ų | 100.9 | 12% | 0.124 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -137.9 | -176.9 | 180 | 0 | 0 | 0 | 0 | 0 | 116.5 | V360 K361 N367 | V360-G365 PolarHBondContact O-N 3.15Å; V360-G365 VanDerWaalsContact O-N 3.07Å; K361-G365 CarbonylContact O-C 3.57Å; K361-G365 WeakPolarHBondContact O-CA 3.19Å; K361-G365 PolarHBondContact O-N 2.71Å; G365-N367 VanDerWaalsContact C-N 3.33Å; G365-N367 PolarHBondContact O-N 3.14Å |
| 366 | E | 37.3 | Very low | 40.9 | Very low | 123 Ų | 123 | 107.1 Ų | 107.1 | 58% | 0.575 | 54% | 0.535 | S | S | * | . | trans | -66.3 | 11.5 | -149.8 | -125 | 174 | -177.3 | 0 | 0 | 119.8 | K361 V368 F385 | K361-E366 PolarHBondContact O-N 3.19Å; E366-V368 PolarHBondContact O-N 3.23Å; E366-F385 HydrophobicContact CB-CD2 4.1Å; E366-F385 HydrophobicContact CB-CE2 3.6Å; E366-F385 HydrophobicContact CB-CZ 4.48Å; E366-F385 HydrophobicContact CG-CD2 3.87Å; E366-F385 HydrophobicContact CG-CE2 3.76Å | ||
| 367 | N | 32.2 | Very low | 39.1 | Very low | 58 Ų | 58 | 115.3 Ų | 115.3 | 31% | 0.31 | 56% | 0.564 | S | S | . | * | trans | -85.8 | 81.6 | -166.8 | -132.2 | 8.8 | 0 | 0 | 0 | 114 | E362 G365 | E362-N367 HydrophobicContact CG-CB 4.03Å; E362-N367 PolarHBondContact OE1-ND2 3.44Å; G365-N367 VanDerWaalsContact C-N 3.33Å; G365-N367 PolarHBondContact O-N 3.14Å | ||
| 368 | V | 28.9 | Very low | 37.7 | Very low | 115 Ų | 115 | 115.3 Ų | 115.3 | 70% | 0.697 | 57% | 0.571 | S | S | * | * | trans | -89.6 | 122.5 | 146.1 | 179 | 0 | 0 | 0 | 0 | 107.3 | E366 F370 | E366-V368 PolarHBondContact O-N 3.23Å; V368-F370 PolarHBondContact O-N 3.49Å | ||
| 369 | H | 28.7 | Very low | 36.1 | Very low | 133 Ų | 133 | 116.2 Ų | 116.2 | 62% | 0.616 | 59% | 0.586 | S | S | * | * | trans | -51.7 | 123.5 | 179 | -81.1 | -90.6 | 0 | 0 | 0 | 111.9 | L371 | H369-L371 VanDerWaalsContact C-N 3.26Å; H369-L371 PolarHBondContact O-N 3.46Å | ||
| 370 | F | 25.4 | Very low | 34.5 | Very low | 199 Ų | 199 | 120.4 Ų | 120.4 | 87% | 0.873 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 64.9 | 179.4 | -85 | -94.1 | 0 | 0 | 0 | 114 | V368 | V368-F370 PolarHBondContact O-N 3.49Š|
| 371 | L | 24.8 | Very low | 33.2 | Very low | 157 Ų | 157 | 123.7 Ų | 123.7 | 82% | 0.822 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | -21.5 | 170.1 | -79.5 | 170.7 | 0 | 0 | 0 | 116.3 | H369 | H369-L371 VanDerWaalsContact C-N 3.26Å; H369-L371 PolarHBondContact O-N 3.46Å |
| 372 | E | 24.4 | Very low | 32.1 | Very low | 190 Ų | 190 | 129.2 Ų | 129.2 | 89% | 0.888 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -150.3 | 84 | -178.8 | -68.4 | -172.5 | 161.1 | 0 | 0 | 114.4 | ||
| 373 | A | 25.1 | Very low | 31 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 86% | 0.86 | 66% | 0.656 | S | S | * | * | trans | -161.5 | 76 | 158.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 374 | K | 26.5 | Very low | 30.1 | Very low | 222 Ų | 222 | 134.7 Ų | 134.7 | 97% | 0.965 | 68% | 0.676 | S | S | * | * | trans | -87.4 | 6.6 | 172.4 | -118.9 | -180 | -174.8 | 175.8 | 0 | 114.4 | ||||
| 375 | A | 28.2 | Very low | 29.4 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 71% | 0.711 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -123.7 | -8.7 | -157.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 376 | N | 24.2 | Very low | 29.4 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | trans | -143.6 | 99.1 | 177.1 | -90.6 | -33.4 | 0 | 0 | 0 | 112.4 | ||||
| 377 | R | 27.2 | Very low | 29.6 | Very low | 238 Ų | 238 | 129.7 Ų | 129.7 | 90% | 0.898 | 65% | 0.654 | S | S | * | * | trans | -84.4 | -6.5 | -166.1 | -97.3 | -177.3 | 173.4 | 179.5 | -3 | 116.8 | ||||
| 378 | E | 28.3 | Very low | 30.1 | Very low | 180 Ų | 180 | 129 Ų | 129 | 84% | 0.841 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -133.4 | -11 | -168.5 | -72.5 | -173.5 | 160.5 | 0 | 0 | 117.2 | ||
| 379 | L | 27.9 | Very low | 31 | Very low | 154 Ų | 154 | 126.4 Ų | 126.4 | 81% | 0.806 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -107.8 | -16.7 | -178.1 | -117.7 | 81.1 | 0 | 0 | 0 | 116.1 | ||
| 380 | N | 28.6 | Very low | 32 | Very low | 96 Ų | 96 | 120.9 Ų | 120.9 | 51% | 0.513 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -100.1 | -12.8 | -171 | -71.6 | -5.3 | 0 | 0 | 0 | 115.3 | R382 A383 | N380-R382 PolarHBondContact O-N 3.26Å; N380-A383 PolarHBondContact O-N 2.9Å |
| 381 | L | 30.3 | Very low | 33.5 | Very low | 128 Ų | 128 | 111.6 Ų | 111.6 | 67% | 0.67 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -12.6 | 179.1 | -76.1 | 166.8 | 0 | 0 | 0 | 113.9 | ||
| 382 | R | 30.8 | Very low | 35.5 | Very low | 236 Ų | 236 | 108.1 Ų | 108.1 | 89% | 0.891 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -8.9 | 178.4 | -86 | -176.8 | 171.1 | 155.3 | -1 | 114.6 | N380 | N380-R382 PolarHBondContact O-N 3.26Š|
| 383 | A | 31.1 | Very low | 37.4 | Very low | 58 Ų | 58 | 100.3 Ų | 100.3 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -105.9 | -3.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | N380 | N380-A383 PolarHBondContact O-N 2.9Š|
| 384 | E | 34 | Very low | 39.7 | Very low | 100 Ų | 100 | 97.1 Ų | 97.1 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | trans | -116.4 | 20.8 | -149.8 | -66.3 | -177.6 | 166 | 0 | 0 | 117.6 | ||||
| 385 | F | 33.9 | Very low | 42 | Very low | 56 Ų | 56 | 90 Ų | 90 | 25% | 0.246 | 46% | 0.459 | C | S | . | . | trans | -124.2 | 143.5 | 155.6 | -104.3 | -110.6 | 0 | 0 | 0 | 108.6 | F364 E366 A387 I429 | F364-F385 WeakPolarHBondContact O-CD1 3.37Å; F364-F385 WeakPolarHBondContact O-CE1 3.41Å; E366-F385 HydrophobicContact CB-CD2 4.1Å; E366-F385 HydrophobicContact CB-CE2 3.6Å; E366-F385 HydrophobicContact CB-CZ 4.48Å; E366-F385 HydrophobicContact CG-CD2 3.87Å; E366-F385 HydrophobicContact CG-CE2 3.76Å; F385-A387 WeakPolarHBondContact CB-O 3.28Å; F385-A387 HydrophobicContact CD1-CB 4.21Å; F385-A387 PolarHBondContact O-N 3.43Å; F385-A387 VanDerWaalsContact O-N 3.1Å; F385-I429 HydrophobicContact CD1-CD1 3.84Å; F385-I429 HydrophobicContact CE1-CD1 3.47Å; F385-I429 VanDerWaalsContact CE1-CD1 3.47Å; F385-I429 HydrophobicContact CZ-CD1 4.06Å | ||
| 386 | N | 39.8 | Very low | 44.4 | Very low | 56 Ų | 56 | 87.5 Ų | 87.5 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -57.6 | -21.5 | 163.6 | -90.7 | -37 | 0 | 0 | 0 | 111.4 | S171 L175 N363 | S171-N386 PolarHBondContact O-ND2 3.15Å; L175-N386 PolarHBondContact N-OD1 2.85Å; N363-N386 PolarHBondContact O-ND2 3.07Å; N363-N386 VanDerWaalsContact O-ND2 3.11Å |
| 387 | A | 41.5 | Very low | 46.9 | Very low | 18 Ų | 18 | 82.3 Ų | 82.3 | 15% | 0.149 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -109.3 | 93 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | F385 T391 | F385-A387 WeakPolarHBondContact CB-O 3.28Å; F385-A387 HydrophobicContact CD1-CB 4.21Å; F385-A387 PolarHBondContact O-N 3.43Å; F385-A387 VanDerWaalsContact O-N 3.1Å; A387-T391 WeakPolarHBondContact CA-OG1 3.42Å; A387-T391 HydrophobicContact CB-CG2 3.6Å; A387-T391 WeakPolarHBondContact CB-OG1 3.27Å; A387-T391 PolarHBondContact O-OG1 3.12Å |
| 388 | S | 43.2 | Very low | 49.1 | Very low | 44 Ų | 44 | 73.6 Ų | 73.6 | 31% | 0.308 | 38% | 0.376 | S | S | . | . | trans | -42.4 | 146 | 179.5 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | N332 G390 T391 | N332-S388 PolarHBondContact ND2-OG 3.43Å; S388-G390 PolarHBondContact O-N 2.94Å; S388-T391 PolarHBondContact N-OG1 3.39Å; S388-T391 PolarHBondContact O-N 3.16Å; S388-T391 PolarHBondContact O-OG1 3.27Å | ||
| 389 | P | 47.6 | Very low | 51.1 | Low | 61 Ų | 61 | 67 Ų | 67 | 40% | 0.396 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.3 | 129.5 | 174 | -27 | 32.1 | 0 | 0 | 0 | 110.8 | T431 | P389-T431 HydrophobicContact CB-CG2 3.6Š|
| 390 | G | 50 | Low | 53.2 | Low | 17 Ų | 17 | 59.6 Ų | 59.6 | 18% | 0.175 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | 4.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V331 S388 I429 | V331-G390 WeakPolarHBondContact CA-O 3.36Å; V331-G390 WeakPolarHBondContact CB-O 3.39Å; V331-G390 WeakPolarHBondContact CG1-O 3.41Å; S388-G390 PolarHBondContact O-N 2.94Å; G390-I429 WeakPolarHBondContact CA-O 3.24Å; G390-I429 PolarHBondContact N-O 2.94Å |
| 391 | T | 56.5 | Low | 55.2 | Low | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | trans | -77.8 | 131 | 176.1 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | N332 A387 S388 I429 | N332-T391 HydrophobicContact CB-CG2 4.18Å; N332-T391 CarbonylContact O-C 3.54Å; N332-T391 VanDerWaalsContact O-CA 3.23Å; N332-T391 WeakPolarHBondContact O-CA 3.21Å; N332-T391 WeakPolarHBondContact O-CG2 3.46Å; A387-T391 WeakPolarHBondContact CA-OG1 3.42Å; A387-T391 HydrophobicContact CB-CG2 3.6Å; A387-T391 WeakPolarHBondContact CB-OG1 3.27Å; A387-T391 PolarHBondContact O-OG1 3.12Å; S388-T391 PolarHBondContact N-OG1 3.39Å; S388-T391 PolarHBondContact O-N 3.16Å; S388-T391 PolarHBondContact O-OG1 3.27Å; T391-I429 PolarHBondContact O-N 3.4Å | ||
| 392 | R | 66.7 | Low | 56.8 | Low | 84 Ų | 84 | 52 Ų | 52 | 32% | 0.317 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.5 | 174.9 | -176 | 175.2 | -171.7 | -164.1 | 2.7 | 109.4 | V331 N332 E333 L334 I394 C426 F427 E428 | V331-R392 HydrophobicContact CG1-CB 3.76Å; N332-R392 PolarHBondContact O-N 2.77Å; E333-R392 CarbonylContact C-O 3.47Å; E333-R392 WeakPolarHBondContact CA-O 3.39Å; E333-R392 HydrophobicContact CG-CB 4.49Å; L334-R392 PolarHBondContact N-O 3.07Å; R392-I394 HydrophobicContact CG-CD1 4.36Å; R392-I394 HydrophobicContact CG-CG1 3.95Å; R392-C426 PolarHBondContact NE-SG 2.81Å; R392-C426 PolarHBondContact NH2-SG 3.23Å; R392-C426 VanDerWaalsContact NH2-SG 3.38Å; R392-F427 WeakPolarHBondContact CA-O 3.33Å; R392-E428 HydrophobicContact CB-CG 4.29Å; R392-E428 HydrophobicContact CG-CG 3.77Å; R392-E428 IonicContact CZ-OE1 2.91Å; R392-E428 IonicContact NE-OE1 3.85Å; R392-E428 PolarHBondContact NE-OE1 3.12Å; R392-E428 VanDerWaalsContact NE-OE1 3.1Å; R392-E428 IonicContact NH2-OE1 3.88Å |
| 393 | V | 63.9 | Low | 58.3 | Low | 26 Ų | 26 | 42.1 Ų | 42.1 | 16% | 0.158 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 115.1 | 174.3 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | L334 M395 F427 | L334-V393 HydrophobicContact CB-CG2 4.44Å; L334-V393 HydrophobicContact CD2-CG1 4.45Å; L334-V393 CarbonylContact O-C 3.56Å; L334-V393 WeakPolarHBondContact O-CA 3.44Å; V393-M395 HydrophobicContact CG1-CE 4.18Å; V393-M395 HydrophobicContact CG1-CG 4.24Å; V393-F427 HydrophobicContact CB-CB 4.35Å; V393-F427 PolarHBondContact N-O 2.81Å; V393-F427 PolarHBondContact O-N 2.88Å |
| 394 | I | 73.3 | Confident | 59.3 | Low | 38 Ų | 38 | 43.7 Ų | 43.7 | 20% | 0.195 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 116 | 176.7 | -50.9 | -177.9 | 0 | 0 | 0 | 107 | E333 L334 S335 V336 R392 | E333-I394 HydrophobicContact CG-CD1 4.13Å; E333-I394 HydrophobicContact CG-CG1 4.41Å; E333-I394 WeakPolarHBondContact OE1-CD1 3.4Å; L334-I394 PolarHBondContact O-N 3.19Å; S335-I394 CarbonylContact C-O 3.56Å; S335-I394 WeakPolarHBondContact CA-O 3.33Å; V336-I394 PolarHBondContact N-O 3.18Å; R392-I394 HydrophobicContact CG-CD1 4.36Å; R392-I394 HydrophobicContact CG-CG1 3.95Å |
| 395 | M | 74.2 | Confident | 59.9 | Low | 71 Ų | 71 | 41.8 Ų | 41.8 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 127.6 | 172.5 | -72.2 | -172.8 | 176 | 0 | 0 | 109.1 | V336 V393 A425 | V336-M395 HydrophobicContact CB-CG 4.42Å; V336-M395 WeakPolarHBondContact O-CA 3.23Å; V393-M395 HydrophobicContact CG1-CE 4.18Å; V393-M395 HydrophobicContact CG1-CG 4.24Å; M395-A425 HydrophobicContact CB-CB 4.45Å; M395-A425 PolarHBondContact N-O 3.39Å; M395-A425 PolarHBondContact O-N 2.76Å |
| 396 | H | 80 | Confident | 60.5 | Low | 34 Ų | 34 | 41.3 Ų | 41.3 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 115.6 | 170.7 | -179.2 | 71.3 | 0 | 0 | 0 | 108.1 | V336 K337 V338 D398 L423 N424 | V336-H396 PolarHBondContact O-N 3.03Å; K337-H396 WeakPolarHBondContact CA-O 3.44Å; K337-H396 HydrophobicContact CG-CB 4.01Å; V338-H396 PolarHBondContact N-O 2.59Å; H396-D398 IonicContact CE1-OD1 3.98Å; H396-D398 IonicContact NE2-OD1 3.87Å; H396-D398 PolarHBondContact NE2-OD1 3.26Å; H396-L423 WeakPolarHBondContact CA-O 3.27Å; H396-N424 PolarHBondContact ND1-OD1 2.65Å |
| 397 | L | 75.6 | Confident | 60.6 | Low | 30 Ų | 30 | 41.8 Ų | 41.8 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 116.9 | -178.5 | -74.3 | 153.5 | 0 | 0 | 0 | 108.9 | V338 I346 V400 L423 | V338-L397 HydrophobicContact CB-CD2 3.59Å; V338-L397 HydrophobicContact CB-CG 4.45Å; V338-L397 HydrophobicContact CG1-CD2 3.88Å; V338-L397 HydrophobicContact CG2-CD2 3.93Å; I346-L397 HydrophobicContact CD1-CD2 4.02Å; L397-V400 HydrophobicContact CB-CG2 3.48Å; L397-V400 VanDerWaalsContact CB-CG2 3.48Å; L397-V400 HydrophobicContact CD1-CG2 4.44Å; L397-V400 HydrophobicContact CD2-CG2 4.42Å; L397-V400 HydrophobicContact CG-CG2 4.33Å; L397-L423 HydrophobicContact CB-CB 4.23Å; L397-L423 HydrophobicContact CB-CD2 4.24Å; L397-L423 HydrophobicContact CD1-CD2 3.82Å; L397-L423 PolarHBondContact N-O 2.83Å; L397-L423 PolarHBondContact O-N 2.92Å; L397-L423 VanDerWaalsContact O-N 3.08Å |
| 398 | D | 72.9 | Confident | 60.3 | Low | 56 Ų | 56 | 48 Ų | 48 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -86.4 | 131.3 | 174.2 | -86.1 | -16 | 0 | 0 | 0 | 111.2 | V338 H396 | V338-D398 PolarHBondContact O-N 3.09Å; H396-D398 IonicContact CE1-OD1 3.98Å; H396-D398 IonicContact NE2-OD1 3.87Å; H396-D398 PolarHBondContact NE2-OD1 3.26Å |
| 399 | N | 72 | Confident | 60 | Low | 40 Ų | 40 | 48.2 Ų | 48.2 | 21% | 0.214 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 62.7 | 57 | 166.5 | -120.2 | 10.9 | 0 | 0 | 0 | 113.5 | S345 I346 R421 | S345-N399 CarbonylContact C-O 3.47Å; S345-N399 VanDerWaalsContact CA-O 3.22Å; S345-N399 WeakPolarHBondContact CA-O 3.41Å; S345-N399 WeakPolarHBondContact CB-O 3.26Å; I346-N399 PolarHBondContact N-O 3.23Å; N399-R421 PolarHBondContact OD1-NE 2.88Å |
| 400 | V | 71 | Confident | 59.5 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.6 | -178.9 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | I346 L348 L397 F402 R419 L420 L423 | I346-V400 HydrophobicContact CB-CG2 4.44Å; I346-V400 CarbonylContact O-C 3.53Å; I346-V400 WeakPolarHBondContact O-CA 3.43Å; L348-V400 HydrophobicContact CD1-CG1 3.76Å; L348-V400 HydrophobicContact CG-CG1 4.3Å; L397-V400 HydrophobicContact CB-CG2 3.48Å; L397-V400 VanDerWaalsContact CB-CG2 3.48Å; L397-V400 HydrophobicContact CD1-CG2 4.44Å; L397-V400 HydrophobicContact CD2-CG2 4.42Å; L397-V400 HydrophobicContact CG-CG2 4.33Å; V400-F402 HydrophobicContact CB-CE2 4.48Å; V400-F402 HydrophobicContact CG1-CD2 3.76Å; V400-F402 HydrophobicContact CG1-CE2 3.6Å; V400-F402 HydrophobicContact CG1-CZ 4.34Å; V400-R419 CarbonylContact O-C 3.36Å; V400-R419 VanDerWaalsContact O-CA 3.29Å; V400-R419 WeakPolarHBondContact O-CA 3.24Å; V400-L420 HydrophobicContact CB-CB 4.46Å; V400-L420 PolarHBondContact N-O 2.85Å; V400-L420 PolarHBondContact O-N 3.38Å; V400-L423 HydrophobicContact CG2-CD2 4.5Å |
| 401 | D | 71.6 | Confident | 59.4 | Low | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 105.1 | 169.2 | -78.8 | -11.6 | 0 | 0 | 0 | 109.7 | S345 I346 R347 L348 I403 V418 R419 | S345-D401 WeakPolarHBondContact CB-OD2 3.36Å; S345-D401 VanDerWaalsContact OG-CG 3.28Å; S345-D401 PolarHBondContact OG-OD2 2.72Å; I346-D401 PolarHBondContact O-N 3.12Å; R347-D401 CarbonylContact C-O 3.48Å; R347-D401 WeakPolarHBondContact CA-O 3.13Å; R347-D401 HydrophobicContact CG-CB 4.01Å; L348-D401 PolarHBondContact N-O 3.35Å; D401-I403 PolarHBondContact O-N 2.67Å; D401-V418 CarbonylContact C-O 3.57Å; D401-V418 WeakPolarHBondContact CA-O 3.49Å; D401-R419 WeakPolarHBondContact OD1-CB 3.28Å; D401-R419 WeakPolarHBondContact OD1-CG 3.29Å; D401-R419 IonicContact OD1-CZ 2.93Å; D401-R419 IonicContact OD1-NE 3.4Å; D401-R419 PolarHBondContact OD1-NE 3.41Å; D401-R419 IonicContact OD1-NH2 3.72Å; D401-R419 PolarHBondContact OD1-NH2 3.48Å; D401-R419 IonicContact OD2-CZ 3.91Å; D401-R419 IonicContact OD2-NE 2.71Å; D401-R419 IonicContact OD2-NH2 2.94Å; D401-R419 PolarHBondContact OD2-NH2 3.46Å |
| 402 | F | 64 | Low | 58.6 | Low | 61 Ų | 61 | 61 Ų | 61 | 27% | 0.268 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 113.6 | 171.4 | -86.1 | -85.3 | 0 | 0 | 0 | 110.5 | L348 V353 V400 S417 V418 L420 L423 | L348-F402 HydrophobicContact CB-CD1 4.4Å; L348-F402 HydrophobicContact CB-CE1 4.45Å; L348-F402 HydrophobicContact CD1-CE1 4.48Å; L348-F402 HydrophobicContact CD1-CZ 4.32Å; L348-F402 CarbonylContact O-C 3.55Å; L348-F402 WeakPolarHBondContact O-CA 3.25Å; V353-F402 HydrophobicContact CG2-CD1 4.17Å; V353-F402 HydrophobicContact CG2-CE1 3.54Å; V400-F402 HydrophobicContact CB-CE2 4.48Å; V400-F402 HydrophobicContact CG1-CD2 3.76Å; V400-F402 HydrophobicContact CG1-CE2 3.6Å; V400-F402 HydrophobicContact CG1-CZ 4.34Å; F402-S417 CarbonylContact O-C 3.55Å; F402-S417 WeakPolarHBondContact O-CA 3.35Å; F402-V418 PolarHBondContact N-O 2.73Å; F402-V418 PolarHBondContact O-N 3.01Å; F402-L420 HydrophobicContact CD2-CD1 3.58Å; F402-L420 HydrophobicContact CD2-CG 4.01Å; F402-L420 HydrophobicContact CE2-CD1 3.45Å; F402-L420 VanDerWaalsContact CE2-CD1 3.45Å; F402-L420 HydrophobicContact CE2-CG 4.3Å; F402-L423 HydrophobicContact CE2-CD2 4.48Å |
| 403 | I | 62.1 | Low | 57.2 | Low | 27 Ų | 27 | 60 Ų | 60 | 14% | 0.138 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.4 | -178.5 | -56.5 | 179.8 | 0 | 0 | 0 | 109.3 | R347 L348 Q349 D401 Y415 G416 | R347-I403 HydrophobicContact CB-CD1 3.77Å; R347-I403 HydrophobicContact CG-CD1 3.91Å; L348-I403 PolarHBondContact O-N 3.04Å; Q349-I403 WeakPolarHBondContact CA-O 3.48Å; Q349-I403 HydrophobicContact CG-CB 4.18Å; Q349-I403 HydrophobicContact CG-CG2 4.43Å; D401-I403 PolarHBondContact O-N 2.67Å; I403-Y415 HydrophobicContact CG2-CD1 3.68Å; I403-Y415 HydrophobicContact CG2-CG 3.85Å; I403-G416 CarbonylContact C-O 3.47Å; I403-G416 VanDerWaalsContact CA-O 3.3Å; I403-G416 WeakPolarHBondContact CA-O 3.07Å |
| 404 | F | 52.3 | Low | 56.2 | Low | 92 Ų | 92 | 63.5 Ų | 63.5 | 40% | 0.404 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.4 | 177.5 | 49.2 | -86.7 | 0 | 0 | 0 | 110.7 | T406 Y415 G416 V418 | F404-T406 HydrophobicContact CD2-CG2 4.24Å; F404-T406 HydrophobicContact CE2-CG2 4.09Å; F404-T406 PolarHBondContact O-N 3.35Å; F404-Y415 CarbonylContact O-C 3.6Å; F404-Y415 VanDerWaalsContact O-CA 3.32Å; F404-Y415 WeakPolarHBondContact O-CA 3.37Å; F404-G416 PolarHBondContact N-O 3.04Å; F404-G416 PolarHBondContact O-N 3.22Å; F404-V418 HydrophobicContact CE1-CB 4.31Å; F404-V418 HydrophobicContact CE1-CG2 3.71Å; F404-V418 HydrophobicContact CZ-CG2 4.14Å |
| 405 | P | 46.4 | Very low | 54.9 | Low | 60 Ų | 60 | 66.8 Ų | 66.8 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 127.9 | 175.3 | 27.4 | -32.5 | 0 | 0 | 0 | 109.8 | V413 L414 Y415 | P405-V413 HydrophobicContact CB-CG1 3.6Å; P405-L414 CarbonylContact C-O 3.53Å; P405-L414 WeakPolarHBondContact CA-O 3.4Å; P405-Y415 HydrophobicContact CB-CD1 4.32Å; P405-Y415 HydrophobicContact CB-CE1 4.35Å |
| 406 | T | 46.5 | Very low | 53.7 | Low | 46 Ų | 46 | 64 Ų | 64 | 28% | 0.282 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -91.8 | -21 | 175 | 52.5 | 0 | 0 | 0 | 0 | 112.3 | F404 L414 | F404-T406 HydrophobicContact CD2-CG2 4.24Å; F404-T406 HydrophobicContact CE2-CG2 4.09Å; F404-T406 PolarHBondContact O-N 3.35Å; T406-L414 PolarHBondContact N-O 3.13Å; T406-L414 WeakPolarHBondContact OG1-CB 3.43Å; T406-L414 PolarHBondContact OG1-O 3.33Å |
| 407 | K | 41.6 | Very low | 52.6 | Low | 65 Ų | 65 | 63.6 Ų | 63.6 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | trans | -136.2 | 125.5 | 175.1 | -90.2 | -177.8 | 172.6 | -179.9 | 0 | 111.5 | L414 | K407-L414 HydrophobicContact CD-CD1 4.24Š| ||
| 408 | L | 34.8 | Very low | 51.8 | Low | 149 Ų | 149 | 64 Ų | 64 | 78% | 0.78 | 36% | 0.363 | S | S | * | . | trans | -95.6 | 77.4 | 164.6 | -88.6 | 146.1 | 0 | 0 | 0 | 108.1 | ||||
| 409 | T | 38.1 | Very low | 51.5 | Low | 49 Ų | 49 | 64.8 Ų | 64.8 | 30% | 0.301 | 36% | 0.362 | S | S | . | . | trans | -115 | 138.7 | 165.3 | 40.7 | 0 | 0 | 0 | 0 | 108.9 | G411 A461 | T409-G411 PolarHBondContact O-N 2.84Å; T409-G411 VanDerWaalsContact O-N 3.07Å; T409-A461 HydrophobicContact CG2-CB 4.16Å | ||
| 410 | P | 37.2 | Very low | 51.3 | Low | 141 Ų | 141 | 63.5 Ų | 63.5 | 92% | 0.916 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 115.6 | -177.4 | -11.3 | 24.1 | 0 | 0 | 0 | 109.7 | ||
| 411 | G | 47.2 | Very low | 51.2 | Low | 73 Ų | 73 | 67.7 Ų | 67.7 | 75% | 0.753 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.4 | -21.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | T409 | T409-G411 PolarHBondContact O-N 2.84Å; T409-G411 VanDerWaalsContact O-N 3.07Å |
| 412 | N | 38.4 | Very low | 51.1 | Low | 135 Ų | 135 | 70.8 Ų | 70.8 | 72% | 0.722 | 39% | 0.388 | S | S | * | . | trans | -143 | 92.1 | 175.9 | -97.3 | -20.5 | 0 | 0 | 0 | 110.8 | L414 | N412-L414 PolarHBondContact O-N 2.83Š| ||
| 413 | V | 38.8 | Very low | 51.3 | Low | 62 Ų | 62 | 68.7 Ų | 68.7 | 38% | 0.376 | 38% | 0.379 | S | S | . | . | trans | -83.2 | 109 | 175.6 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | P405 Y415 | P405-V413 HydrophobicContact CB-CG1 3.6Å; V413-Y415 HydrophobicContact CB-CE1 4.48Å; V413-Y415 HydrophobicContact CB-CE2 3.84Å; V413-Y415 HydrophobicContact CG1-CD1 4.1Å; V413-Y415 HydrophobicContact CG1-CD2 4.24Å; V413-Y415 HydrophobicContact CG1-CE1 3.59Å; V413-Y415 HydrophobicContact CG1-CE2 3.74Å; V413-Y415 HydrophobicContact CG1-CG 4.41Å; V413-Y415 VanDerWaalsContact O-CD2 3.26Å; V413-Y415 WeakPolarHBondContact O-CD2 3.18Å; V413-Y415 VanDerWaalsContact O-CE2 3.24Å; V413-Y415 WeakPolarHBondContact O-CE2 3.33Å | ||
| 414 | L | 43.1 | Very low | 51.8 | Low | 101 Ų | 101 | 70.3 Ų | 70.3 | 53% | 0.529 | 39% | 0.388 | S | S | . | . | trans | -76.2 | 140.3 | 164.8 | -79.7 | 159.7 | 0 | 0 | 0 | 108.5 | P405 T406 K407 N412 | P405-L414 CarbonylContact C-O 3.53Å; P405-L414 WeakPolarHBondContact CA-O 3.4Å; T406-L414 PolarHBondContact N-O 3.13Å; T406-L414 WeakPolarHBondContact OG1-CB 3.43Å; T406-L414 PolarHBondContact OG1-O 3.33Å; K407-L414 HydrophobicContact CD-CD1 4.24Å; N412-L414 PolarHBondContact O-N 2.83Å | ||
| 415 | Y | 45.5 | Very low | 52.5 | Low | 106 Ų | 106 | 67 Ų | 67 | 42% | 0.416 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 135.3 | 179.9 | -61.6 | -87.9 | 0 | 0 | 0 | 110.1 | I403 F404 P405 V413 | I403-Y415 HydrophobicContact CG2-CD1 3.68Å; I403-Y415 HydrophobicContact CG2-CG 3.85Å; F404-Y415 CarbonylContact O-C 3.6Å; F404-Y415 VanDerWaalsContact O-CA 3.32Å; F404-Y415 WeakPolarHBondContact O-CA 3.37Å; P405-Y415 HydrophobicContact CB-CD1 4.32Å; P405-Y415 HydrophobicContact CB-CE1 4.35Å; V413-Y415 HydrophobicContact CB-CE1 4.48Å; V413-Y415 HydrophobicContact CB-CE2 3.84Å; V413-Y415 HydrophobicContact CG1-CD1 4.1Å; V413-Y415 HydrophobicContact CG1-CD2 4.24Å; V413-Y415 HydrophobicContact CG1-CE1 3.59Å; V413-Y415 HydrophobicContact CG1-CE2 3.74Å; V413-Y415 HydrophobicContact CG1-CG 4.41Å; V413-Y415 VanDerWaalsContact O-CD2 3.26Å; V413-Y415 WeakPolarHBondContact O-CD2 3.18Å; V413-Y415 VanDerWaalsContact O-CE2 3.24Å; V413-Y415 WeakPolarHBondContact O-CE2 3.33Å |
| 416 | G | 49 | Very low | 53.6 | Low | 12 Ų | 12 | 64.6 Ų | 64.6 | 12% | 0.124 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 155.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110 | I403 F404 | I403-G416 CarbonylContact C-O 3.47Å; I403-G416 VanDerWaalsContact CA-O 3.3Å; I403-G416 WeakPolarHBondContact CA-O 3.07Å; F404-G416 PolarHBondContact N-O 3.04Å; F404-G416 PolarHBondContact O-N 3.22Å |
| 417 | S | 56.7 | Low | 54.4 | Low | 27 Ų | 27 | 65.7 Ų | 65.7 | 19% | 0.189 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 135.4 | 175.5 | 66.2 | 0 | 0 | 0 | 0 | 112.2 | F402 | F402-S417 CarbonylContact O-C 3.55Å; F402-S417 WeakPolarHBondContact O-CA 3.35Å |
| 418 | V | 59.3 | Low | 55.3 | Low | 38 Ų | 38 | 65 Ų | 65 | 23% | 0.23 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.4 | 168.4 | 166.9 | 0 | 0 | 0 | 0 | 108.7 | D401 F402 F404 L420 L443 | D401-V418 CarbonylContact C-O 3.57Å; D401-V418 WeakPolarHBondContact CA-O 3.49Å; F402-V418 PolarHBondContact N-O 2.73Å; F402-V418 PolarHBondContact O-N 3.01Å; F404-V418 HydrophobicContact CE1-CB 4.31Å; F404-V418 HydrophobicContact CE1-CG2 3.71Å; F404-V418 HydrophobicContact CZ-CG2 4.14Å; V418-L420 HydrophobicContact CG1-CD2 3.69Å; V418-L420 HydrophobicContact CG1-CG 4.43Å; V418-L443 HydrophobicContact CG1-CD2 4.03Å; V418-L443 HydrophobicContact CG1-CG 4.35Å |
| 419 | R | 67.1 | Low | 56.3 | Low | 72 Ų | 72 | 59 Ų | 59 | 27% | 0.272 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 123 | 176.5 | -170.9 | 169.4 | -68.4 | 151.6 | 5.1 | 110.1 | V400 D401 R444 | V400-R419 CarbonylContact O-C 3.36Å; V400-R419 VanDerWaalsContact O-CA 3.29Å; V400-R419 WeakPolarHBondContact O-CA 3.24Å; D401-R419 WeakPolarHBondContact OD1-CB 3.28Å; D401-R419 WeakPolarHBondContact OD1-CG 3.29Å; D401-R419 IonicContact OD1-CZ 2.93Å; D401-R419 IonicContact OD1-NE 3.4Å; D401-R419 PolarHBondContact OD1-NE 3.41Å; D401-R419 IonicContact OD1-NH2 3.72Å; D401-R419 PolarHBondContact OD1-NH2 3.48Å; D401-R419 IonicContact OD2-CZ 3.91Å; D401-R419 IonicContact OD2-NE 2.71Å; D401-R419 IonicContact OD2-NH2 2.94Å; D401-R419 PolarHBondContact OD2-NH2 3.46Å; R419-R444 VanDerWaalsContact CB-O 3.32Å; R419-R444 WeakPolarHBondContact CB-O 3.33Å; R419-R444 PolarHBondContact N-O 3.36Å; R419-R444 PolarHBondContact O-N 3.34Å; R419-R444 VanDerWaalsContact O-O 3.12Å |
| 420 | L | 67.1 | Low | 56.9 | Low | 13 Ų | 13 | 59.1 Ų | 59.1 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.7 | 172.3 | -52 | -173.9 | 0 | 0 | 0 | 108.8 | V400 F402 V418 L423 F441 Y442 L443 | V400-L420 HydrophobicContact CB-CB 4.46Å; V400-L420 PolarHBondContact N-O 2.85Å; V400-L420 PolarHBondContact O-N 3.38Å; F402-L420 HydrophobicContact CD2-CD1 3.58Å; F402-L420 HydrophobicContact CD2-CG 4.01Å; F402-L420 HydrophobicContact CE2-CD1 3.45Å; F402-L420 VanDerWaalsContact CE2-CD1 3.45Å; F402-L420 HydrophobicContact CE2-CG 4.3Å; V418-L420 HydrophobicContact CG1-CD2 3.69Å; V418-L420 HydrophobicContact CG1-CG 4.43Å; L420-L423 HydrophobicContact CB-CB 4.43Å; L420-L423 HydrophobicContact CD1-CD1 3.95Å; L420-L423 HydrophobicContact CD1-CD2 4.35Å; L420-F441 HydrophobicContact CD1-CD2 4.43Å; L420-F441 HydrophobicContact CD1-CG 4.48Å; L420-F441 HydrophobicContact CD2-CD2 3.56Å; L420-F441 HydrophobicContact CD2-CE2 3.75Å; L420-F441 HydrophobicContact CD2-CG 4.32Å; L420-F441 HydrophobicContact CG-CD2 4.45Å; L420-Y442 WeakPolarHBondContact CA-O 3.24Å; L420-L443 HydrophobicContact CD2-CG 4.24Å |
| 421 | R | 69.6 | Low | 57.5 | Low | 89 Ų | 89 | 57.2 Ų | 57.2 | 34% | 0.336 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 144.8 | 169.1 | -87.6 | -173.8 | 175 | 178.8 | -8.9 | 110.3 | N399 L423 Y442 E478 | N399-R421 PolarHBondContact OD1-NE 2.88Å; R421-L423 VanDerWaalsContact C-N 3.31Å; R421-L423 PolarHBondContact O-N 3.35Å; R421-Y442 PolarHBondContact N-O 3.4Å; R421-Y442 PolarHBondContact O-N 2.78Å; R421-E478 WeakPolarHBondContact CD-OE1 3.35Å; R421-E478 IonicContact CZ-OE1 3.57Å; R421-E478 IonicContact NE-OE1 3.45Å; R421-E478 IonicContact NH1-OE1 2.83Å; R421-E478 PolarHBondContact NH1-OE1 2.86Å |
| 422 | D | 67.6 | Low | 57.4 | Low | 69 Ų | 69 | 64.1 Ų | 64.1 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47.6 | 48 | -177.4 | -55.4 | -1.1 | 0 | 0 | 0 | 113.2 | N424 Y442 | D422-N424 PolarHBondContact O-N 2.89Å; D422-N424 PolarHBondContact O-ND2 2.92Å; D422-Y442 HydrophobicContact CB-CD2 4.09Å; D422-Y442 HydrophobicContact CB-CE2 4.38Å |
| 423 | L | 69.6 | Low | 57.7 | Low | 16 Ų | 16 | 60.2 Ų | 60.2 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 105 | 179.1 | 176.1 | 72.4 | 0 | 0 | 0 | 109.2 | H396 L397 V400 F402 L420 R421 F441 | H396-L423 WeakPolarHBondContact CA-O 3.27Å; L397-L423 HydrophobicContact CB-CB 4.23Å; L397-L423 HydrophobicContact CB-CD2 4.24Å; L397-L423 HydrophobicContact CD1-CD2 3.82Å; L397-L423 PolarHBondContact N-O 2.83Å; L397-L423 PolarHBondContact O-N 2.92Å; L397-L423 VanDerWaalsContact O-N 3.08Å; V400-L423 HydrophobicContact CG2-CD2 4.5Å; F402-L423 HydrophobicContact CE2-CD2 4.48Å; L420-L423 HydrophobicContact CB-CB 4.43Å; L420-L423 HydrophobicContact CD1-CD1 3.95Å; L420-L423 HydrophobicContact CD1-CD2 4.35Å; R421-L423 VanDerWaalsContact C-N 3.31Å; R421-L423 PolarHBondContact O-N 3.35Å; L423-F441 HydrophobicContact CB-CB 4.42Å; L423-F441 HydrophobicContact CD1-CB 3.81Å; L423-F441 HydrophobicContact CD1-CD1 3.73Å; L423-F441 HydrophobicContact CD1-CG 4.02Å |
| 424 | N | 71.4 | Confident | 58.3 | Low | 61 Ų | 61 | 66.5 Ų | 66.5 | 33% | 0.326 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 104.3 | 173.9 | -71.9 | -56.7 | 0 | 0 | 0 | 108.9 | H396 D422 C439 S440 | H396-N424 PolarHBondContact ND1-OD1 2.65Å; D422-N424 PolarHBondContact O-N 2.89Å; D422-N424 PolarHBondContact O-ND2 2.92Å; N424-C439 WeakPolarHBondContact O-CA 3.36Å; N424-S440 PolarHBondContact N-O 3.45Å; N424-S440 PolarHBondContact O-N 3.24Å |
| 425 | A | 67.5 | Low | 58.8 | Low | 22 Ų | 22 | 62.7 Ų | 62.7 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 117.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | M395 | M395-A425 HydrophobicContact CB-CB 4.45Å; M395-A425 PolarHBondContact N-O 3.39Å; M395-A425 PolarHBondContact O-N 2.76Å |
| 426 | C | 69.7 | Low | 59.4 | Low | 11 Ų | 11 | 60.9 Ų | 60.9 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 113.9 | 174.3 | 174.2 | 0 | 0 | 0 | 0 | 109 | R392 L438 | R392-C426 PolarHBondContact NE-SG 2.81Å; R392-C426 PolarHBondContact NH2-SG 3.23Å; R392-C426 VanDerWaalsContact NH2-SG 3.38Å; C426-L438 HydrophobicContact CB-CB 4.24Å; C426-L438 PolarHBondContact N-O 2.98Å; C426-L438 PolarHBondContact O-N 3.39Å |
| 427 | F | 62.9 | Low | 60 | Low | 69 Ų | 69 | 63 Ų | 63 | 30% | 0.303 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.3 | 176.1 | -175.3 | -107.3 | 0 | 0 | 0 | 109.6 | R392 V393 I429 S435 K436 L437 | R392-F427 WeakPolarHBondContact CA-O 3.33Å; V393-F427 HydrophobicContact CB-CB 4.35Å; V393-F427 PolarHBondContact N-O 2.81Å; V393-F427 PolarHBondContact O-N 2.88Å; F427-I429 HydrophobicContact CD1-CD1 4.4Å; F427-I429 HydrophobicContact CD1-CG1 3.91Å; F427-I429 HydrophobicContact CE1-CD1 3.79Å; F427-I429 HydrophobicContact CE1-CG1 3.35Å; F427-I429 HydrophobicContact CZ-CG1 4.12Å; F427-S435 VanDerWaalsContact CE2-CB 3.47Å; F427-K436 WeakPolarHBondContact CA-O 3.46Å; F427-L437 HydrophobicContact CD2-CD1 4.44Å |
| 428 | E | 61.2 | Low | 60 | Low | 50 Ų | 50 | 65 Ų | 65 | 23% | 0.234 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.7 | 178 | -75.5 | 174 | 176.4 | 0 | 0 | 109.7 | R392 S435 K436 | R392-E428 HydrophobicContact CB-CG 4.29Å; R392-E428 HydrophobicContact CG-CG 3.77Å; R392-E428 IonicContact CZ-OE1 2.91Å; R392-E428 IonicContact NE-OE1 3.85Å; R392-E428 PolarHBondContact NE-OE1 3.12Å; R392-E428 VanDerWaalsContact NE-OE1 3.1Å; R392-E428 IonicContact NH2-OE1 3.88Å; E428-S435 WeakPolarHBondContact O-CA 3.4Å; E428-K436 HydrophobicContact CB-CB 4.46Å; E428-K436 PolarHBondContact N-O 3.3Å; E428-K436 PolarHBondContact O-N 3.17Å |
| 429 | I | 56.2 | Low | 60.1 | Low | 24 Ų | 24 | 64.3 Ų | 64.3 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | trans | -92.9 | 96 | 171.1 | -55.1 | 172.1 | 0 | 0 | 0 | 107.3 | F385 G390 T391 F427 | F385-I429 HydrophobicContact CD1-CD1 3.84Å; F385-I429 HydrophobicContact CE1-CD1 3.47Å; F385-I429 VanDerWaalsContact CE1-CD1 3.47Å; F385-I429 HydrophobicContact CZ-CD1 4.06Å; G390-I429 WeakPolarHBondContact CA-O 3.24Å; G390-I429 PolarHBondContact N-O 2.94Å; T391-I429 PolarHBondContact O-N 3.4Å; F427-I429 HydrophobicContact CD1-CD1 4.4Å; F427-I429 HydrophobicContact CD1-CG1 3.91Å; F427-I429 HydrophobicContact CE1-CD1 3.79Å; F427-I429 HydrophobicContact CE1-CG1 3.35Å; F427-I429 HydrophobicContact CZ-CG1 4.12Å | ||
| 430 | C | 50.8 | Low | 59.6 | Low | 51 Ų | 51 | 62.6 Ų | 62.6 | 35% | 0.345 | 31% | 0.309 | S | S | . | . | trans | -87 | 148.6 | 179.7 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | Y432 V433 | C430-Y432 PolarHBondContact O-N 3.46Å; C430-V433 HydrophobicContact CB-CB 4.04Å; C430-V433 WeakPolarHBondContact CB-O 3.23Å; C430-V433 PolarHBondContact N-O 3.35Å; C430-V433 VanDerWaalsContact O-O 3.11Å | ||
| 431 | T | 48 | Very low | 59.4 | Low | 100 Ų | 100 | 63.6 Ų | 63.6 | 61% | 0.613 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -61.5 | -27.5 | 176.8 | 33 | 0 | 0 | 0 | 0 | 113.9 | P389 | P389-T431 HydrophobicContact CB-CG2 3.6Š|
| 432 | Y | 46.5 | Very low | 58.7 | Low | 218 Ų | 218 | 64.2 Ų | 64.2 | 86% | 0.855 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -115.5 | -21.6 | -176.6 | -57.3 | -74.1 | 0 | 0 | 0 | 114.4 | C430 | C430-Y432 PolarHBondContact O-N 3.46Š|
| 433 | V | 43.2 | Very low | 58.2 | Low | 54 Ų | 54 | 62.6 Ų | 62.6 | 33% | 0.327 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -114.2 | 108.1 | 177.1 | -173.3 | 0 | 0 | 0 | 0 | 106.1 | C430 S435 W487 | C430-V433 HydrophobicContact CB-CB 4.04Å; C430-V433 WeakPolarHBondContact CB-O 3.23Å; C430-V433 PolarHBondContact N-O 3.35Å; C430-V433 VanDerWaalsContact O-O 3.11Å; V433-S435 PolarHBondContact O-N 3.4Å; V433-W487 VanDerWaalsContact CG1-O 3.3Å; V433-W487 WeakPolarHBondContact CG1-O 3.08Å |
| 434 | R | 51.5 | Low | 57.2 | Low | 194 Ų | 194 | 65.9 Ų | 65.9 | 73% | 0.732 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -49.6 | -36.8 | -167.3 | -76.5 | -176.4 | 175.4 | 169.2 | -1 | 113.1 | W487 | R434-W487 PolarHBondContact N-O 3.14Š|
| 435 | S | 53.6 | Low | 56.1 | Low | 21 Ų | 21 | 64.9 Ų | 64.9 | 15% | 0.147 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 150.8 | 164 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | F427 E428 V433 W487 | F427-S435 VanDerWaalsContact CE2-CB 3.47Å; E428-S435 WeakPolarHBondContact O-CA 3.4Å; V433-S435 PolarHBondContact O-N 3.4Å; S435-W487 PolarHBondContact N-O 3.06Å; S435-W487 PolarHBondContact O-N 3.47Å |
| 436 | K | 59.5 | Low | 54.8 | Low | 68 Ų | 68 | 66 Ų | 66 | 30% | 0.296 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.1 | 167 | 177.2 | 179.6 | 176.8 | -169.4 | 0 | 109 | F427 E428 Q486 | F427-K436 WeakPolarHBondContact CA-O 3.46Å; E428-K436 HydrophobicContact CB-CB 4.46Å; E428-K436 PolarHBondContact N-O 3.3Å; E428-K436 PolarHBondContact O-N 3.17Å; K436-Q486 HydrophobicContact CG-CG 4.29Å |
| 437 | L | 60.2 | Low | 53.1 | Low | 56 Ų | 56 | 73.1 Ų | 73.1 | 29% | 0.293 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 117.5 | 172.2 | 178.4 | 70 | 0 | 0 | 0 | 108.4 | F427 C485 | F427-L437 HydrophobicContact CD2-CD1 4.44Å; L437-C485 HydrophobicContact CB-CB 4.28Å; L437-C485 PolarHBondContact N-O 3.49Å; L437-C485 PolarHBondContact O-N 3.22Å |
| 438 | L | 58.3 | Low | 51.6 | Low | 70 Ų | 70 | 73.5 Ų | 73.5 | 37% | 0.366 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 118.1 | 169.3 | -169.2 | 86.7 | 0 | 0 | 0 | 107.6 | C426 V484 | C426-L438 HydrophobicContact CB-CB 4.24Å; C426-L438 PolarHBondContact N-O 2.98Å; C426-L438 PolarHBondContact O-N 3.39Å; L438-V484 HydrophobicContact CD1-CB 4.48Å; L438-V484 HydrophobicContact CD1-CG1 4.28Å; L438-V484 HydrophobicContact CD1-CG2 3.77Å |
| 439 | C | 60.8 | Low | 50 | Low | 22 Ų | 22 | 76 Ų | 76 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125 | 174.3 | -71.5 | 0 | 0 | 0 | 0 | 109.4 | N424 F441 V483 | N424-C439 WeakPolarHBondContact O-CA 3.36Å; C439-F441 HydrophobicContact CB-CD1 4.34Å; C439-F441 HydrophobicContact CB-CE1 4.31Å; C439-V483 HydrophobicContact CB-CB 4.42Å; C439-V483 PolarHBondContact N-O 2.8Å; C439-V483 PolarHBondContact O-N 3.43Å |
| 440 | S | 57.5 | Low | 48.8 | Very low | 37 Ų | 37 | 80.1 Ų | 80.1 | 26% | 0.259 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.3 | 166.8 | 57.2 | 0 | 0 | 0 | 0 | 109.5 | N424 | N424-S440 PolarHBondContact N-O 3.45Å; N424-S440 PolarHBondContact O-N 3.24Å |
| 441 | F | 62.3 | Low | 47.7 | Very low | 34 Ų | 34 | 80.8 Ų | 80.8 | 15% | 0.149 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 157 | -179.2 | 52.2 | -91.3 | 0 | 0 | 0 | 111.4 | L420 L423 C439 L443 V481 V483 | L420-F441 HydrophobicContact CD1-CD2 4.43Å; L420-F441 HydrophobicContact CD1-CG 4.48Å; L420-F441 HydrophobicContact CD2-CD2 3.56Å; L420-F441 HydrophobicContact CD2-CE2 3.75Å; L420-F441 HydrophobicContact CD2-CG 4.32Å; L420-F441 HydrophobicContact CG-CD2 4.45Å; L423-F441 HydrophobicContact CB-CB 4.42Å; L423-F441 HydrophobicContact CD1-CB 3.81Å; L423-F441 HydrophobicContact CD1-CD1 3.73Å; L423-F441 HydrophobicContact CD1-CG 4.02Å; C439-F441 HydrophobicContact CB-CD1 4.34Å; C439-F441 HydrophobicContact CB-CE1 4.31Å; F441-L443 HydrophobicContact CD2-CB 4.34Å; F441-L443 HydrophobicContact CE2-CB 4.3Å; F441-L443 HydrophobicContact CE2-CD1 3.82Å; F441-L443 HydrophobicContact CE2-CG 4.12Å; F441-V481 HydrophobicContact CD2-CB 4.29Å; F441-V481 HydrophobicContact CE2-CB 3.91Å; F441-V481 HydrophobicContact CE2-CG1 4.28Å; F441-V481 HydrophobicContact CE2-CG2 4.35Å; F441-V481 HydrophobicContact CZ-CB 4.1Å; F441-V481 HydrophobicContact CZ-CG1 4.01Å; F441-V481 PolarHBondContact N-O 3.01Å; F441-V481 PolarHBondContact O-N 3.44Å; F441-V483 HydrophobicContact CE1-CG2 4.2Å; F441-V483 HydrophobicContact CZ-CG2 4.38Å |
| 442 | Y | 55.2 | Low | 46.7 | Very low | 101 Ų | 101 | 82.4 Ų | 82.4 | 40% | 0.396 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 122.1 | 168.4 | -65.6 | -82.2 | 0 | 0 | 0 | 109.4 | L420 R421 D422 E478 P480 | L420-Y442 WeakPolarHBondContact CA-O 3.24Å; R421-Y442 PolarHBondContact N-O 3.4Å; R421-Y442 PolarHBondContact O-N 2.78Å; D422-Y442 HydrophobicContact CB-CD2 4.09Å; D422-Y442 HydrophobicContact CB-CE2 4.38Å; Y442-E478 HydrophobicContact CD1-CB 4.4Å; Y442-P480 HydrophobicContact CD1-CB 4.28Å; Y442-P480 HydrophobicContact CE1-CB 4.01Å |
| 443 | L | 56.1 | Low | 45.7 | Very low | 35 Ų | 35 | 76 Ų | 76 | 18% | 0.183 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 116.9 | -177.6 | -147.8 | 162.1 | 0 | 0 | 0 | 108.9 | V418 L420 F441 P474 H479 V481 | V418-L443 HydrophobicContact CG1-CD2 4.03Å; V418-L443 HydrophobicContact CG1-CG 4.35Å; L420-L443 HydrophobicContact CD2-CG 4.24Å; F441-L443 HydrophobicContact CD2-CB 4.34Å; F441-L443 HydrophobicContact CE2-CB 4.3Å; F441-L443 HydrophobicContact CE2-CD1 3.82Å; F441-L443 HydrophobicContact CE2-CG 4.12Å; L443-P474 HydrophobicContact CD2-CG 4.23Å; L443-H479 PolarHBondContact N-O 3.41Å; L443-V481 HydrophobicContact CB-CG2 4.14Å; L443-V481 HydrophobicContact CD1-CG2 4.05Å |
| 444 | R | 48.9 | Very low | 44.9 | Very low | 85 Ų | 85 | 76.5 Ų | 76.5 | 32% | 0.321 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 100.6 | 170.7 | -167.9 | 174.7 | -175.4 | 166.8 | 2.5 | 108.5 | R419 E478 | R419-R444 VanDerWaalsContact CB-O 3.32Å; R419-R444 WeakPolarHBondContact CB-O 3.33Å; R419-R444 PolarHBondContact N-O 3.36Å; R419-R444 PolarHBondContact O-N 3.34Å; R419-R444 VanDerWaalsContact O-O 3.12Å; R444-E478 IonicContact NH1-OE1 3.87Å |
| 445 | A | 47.3 | Very low | 43.8 | Very low | 40 Ų | 40 | 76.7 Ų | 76.7 | 33% | 0.331 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 129.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | P474 | A445-P474 HydrophobicContact CB-CG 3.44Å; A445-P474 VanDerWaalsContact CB-CG 3.44Å |
| 446 | S | 40.7 | Very low | 42.5 | Very low | 46 Ų | 46 | 84.1 Ų | 84.1 | 32% | 0.322 | 49% | 0.494 | S | S | . | . | trans | -116 | 114.7 | 165.1 | 60.4 | 0 | 0 | 0 | 0 | 107.6 | S448 | S446-S448 PolarHBondContact O-N 2.96Å; S446-S448 VanDerWaalsContact O-N 3.15Å | ||
| 447 | E | 34.8 | Very low | 41 | Very low | 160 Ų | 160 | 87.5 Ų | 87.5 | 75% | 0.748 | 52% | 0.515 | S | S | * | . | trans | -62.9 | 114.4 | 166.9 | -76 | -175.5 | 160.3 | 0 | 0 | 107.9 | S449 | E447-S449 PolarHBondContact O-N 3.17Š| ||
| 448 | S | 30.9 | Very low | 39.4 | Very low | 77 Ų | 77 | 91 Ų | 91 | 54% | 0.538 | 53% | 0.533 | S | S | . | . | trans | -66.9 | 105.5 | 164.3 | 50.8 | 0 | 0 | 0 | 0 | 107.1 | S446 | S446-S448 PolarHBondContact O-N 2.96Å; S446-S448 VanDerWaalsContact O-N 3.15Å | ||
| 449 | S | 27.1 | Very low | 38.1 | Very low | 103 Ų | 103 | 96.3 Ų | 96.3 | 72% | 0.72 | 56% | 0.556 | S | S | * | * | trans | -37.9 | 122.4 | 176.3 | 54.7 | 0 | 0 | 0 | 0 | 112 | E447 G451 | E447-S449 PolarHBondContact O-N 3.17Å; S449-G451 PolarHBondContact O-N 2.71Å; S449-G451 VanDerWaalsContact O-N 3.08Å | ||
| 450 | P | 31.3 | Very low | 36.7 | Very low | 111 Ų | 111 | 103.1 Ų | 103.1 | 72% | 0.721 | 59% | 0.591 | S | S | * | * | trans | -68.1 | 110 | 174 | 27.2 | -29.9 | 0 | 0 | 0 | 107.8 | S452 | P450-S452 PolarHBondContact O-N 3.09Š| ||
| 451 | G | 27.4 | Very low | 35.3 | Very low | 65 Ų | 65 | 103.4 Ų | 103.4 | 67% | 0.67 | 60% | 0.596 | S | S | * | * | trans | -62.1 | 98.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | S449 A453 | S449-G451 PolarHBondContact O-N 2.71Å; S449-G451 VanDerWaalsContact O-N 3.08Å; G451-A453 PolarHBondContact O-N 3.15Å | ||
| 452 | S | 27.3 | Very low | 33.7 | Very low | 133 Ų | 133 | 110 Ų | 110 | 93% | 0.93 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 32.6 | 14.2 | 152.2 | 70.5 | 0 | 0 | 0 | 0 | 122.1 | P450 | P450-S452 PolarHBondContact O-N 3.09Š|
| 453 | A | 25.4 | Very low | 32.5 | Very low | 84 Ų | 84 | 107.2 Ų | 107.2 | 69% | 0.694 | 64% | 0.635 | S | S | * | * | trans | -127.5 | 6.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G451 | G451-A453 PolarHBondContact O-N 3.15Š| ||
| 454 | A | 27.3 | Very low | 31.2 | Very low | 64 Ų | 64 | 111.2 Ų | 111.2 | 53% | 0.529 | 66% | 0.663 | S | S | . | * | trans | -101.3 | 0.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q456 | A454-Q456 PolarHBondContact O-N 2.86Š| ||
| 455 | E | 27.7 | Very low | 30.4 | Very low | 199 Ų | 199 | 110.2 Ų | 110.2 | 93% | 0.93 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -10.7 | 176.2 | -81.3 | -175.8 | 171.7 | 0 | 0 | 114.1 | ||
| 456 | Q | 27.5 | Very low | 29.6 | Very low | 177 Ų | 177 | 115.1 Ų | 115.1 | 83% | 0.827 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -6.2 | -170.9 | -74 | -172.3 | -13.8 | 0 | 0 | 117.5 | A454 | A454-Q456 PolarHBondContact O-N 2.86Š|
| 457 | N | 26.7 | Very low | 29.2 | Very low | 139 Ų | 139 | 117.5 Ų | 117.5 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | trans | -131.9 | 55 | -175.4 | -71.3 | -29 | 0 | 0 | 0 | 113.5 | ||||
| 458 | L | 26.5 | Very low | 29.1 | Very low | 129 Ų | 129 | 115 Ų | 115 | 68% | 0.675 | 68% | 0.676 | S | S | * | * | trans | -95.1 | -7 | 177.4 | -124.7 | 94.3 | 0 | 0 | 0 | 114.9 | ||||
| 459 | E | 31.4 | Very low | 29.1 | Very low | 181 Ų | 181 | 119.1 Ų | 119.1 | 85% | 0.846 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -89 | -26.6 | -170.2 | -65.9 | -164 | 150.9 | 0 | 0 | 115.4 | ||
| 460 | D | 30.6 | Very low | 29.5 | Very low | 165 Ų | 165 | 117 Ų | 117 | 88% | 0.882 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -108.1 | 26.4 | -164.9 | -72 | -27.8 | 0 | 0 | 0 | 117.3 | ||
| 461 | A | 28.5 | Very low | 29.7 | Very low | 44 Ų | 44 | 114.2 Ų | 114.2 | 36% | 0.364 | 65% | 0.651 | S | S | . | * | trans | -113.7 | 105.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T409 | T409-A461 HydrophobicContact CG2-CB 4.16Š| ||
| 462 | D | 29.7 | Very low | 30.1 | Very low | 172 Ų | 172 | 115.8 Ų | 115.8 | 92% | 0.92 | 64% | 0.644 | S | S | * | * | trans | -79 | 115.6 | 169.2 | -80.3 | -34.9 | 0 | 0 | 0 | 111.5 | ||||
| 463 | G | 29.2 | Very low | 30.8 | Very low | 43 Ų | 43 | 111.9 Ų | 111.9 | 44% | 0.443 | 61% | 0.614 | S | S | . | * | S | Bend | trans | 166.8 | 153.5 | 170 | 0 | 0 | 0 | 0 | 0 | 114.6 | C465 K466 | G463-C465 PolarHBondContact O-N 3.27Å; G463-K466 PolarHBondContact O-N 3.34Å |
| 464 | P | 29.5 | Very low | 31.6 | Very low | 119 Ų | 119 | 108.4 Ų | 108.4 | 77% | 0.773 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -65 | -12.3 | -172.9 | 23.8 | -31.7 | 0 | 0 | 0 | 114.3 | K466 H467 | P464-K466 PolarHBondContact O-N 2.84Å; P464-H467 PolarHBondContact O-N 2.68Å; P464-H467 PolarHBondContact O-ND1 3.27Å |
| 465 | C | 32.7 | Very low | 32.3 | Very low | 64 Ų | 64 | 106.6 Ų | 106.6 | 43% | 0.432 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -77.3 | 2.7 | 175.3 | -62 | 0 | 0 | 0 | 0 | 114.6 | G463 H467 | G463-C465 PolarHBondContact O-N 3.27Å; C465-H467 PolarHBondContact O-N 3.1Å; C465-H467 VanDerWaalsContact O-N 3.1Å |
| 466 | K | 28.6 | Very low | 33.3 | Very low | 143 Ų | 143 | 104.3 Ų | 104.3 | 62% | 0.622 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -56.8 | -20.7 | 164.3 | -144.4 | 178.6 | -170 | 173.2 | 0 | 111.7 | G463 P464 H468 | G463-K466 PolarHBondContact O-N 3.34Å; P464-K466 PolarHBondContact O-N 2.84Å; K466-H468 PolarHBondContact O-N 3.41Å |
| 467 | H | 33.4 | Very low | 34.3 | Very low | 96 Ų | 96 | 98.5 Ų | 98.5 | 44% | 0.444 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -96.2 | 71.6 | 179.2 | -53.9 | 79.5 | 0 | 0 | 0 | 108.7 | P464 C465 L469 | P464-H467 PolarHBondContact O-N 2.68Å; P464-H467 PolarHBondContact O-ND1 3.27Å; C465-H467 PolarHBondContact O-N 3.1Å; C465-H467 VanDerWaalsContact O-N 3.1Å; H467-L469 PolarHBondContact O-N 2.93Å |
| 468 | H | 33 | Very low | 35.4 | Very low | 108 Ų | 108 | 95.5 Ų | 95.5 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | trans | -43.2 | 128.1 | 168.5 | -69.9 | -73.9 | 0 | 0 | 0 | 109 | K466 Y470 | K466-H468 PolarHBondContact O-N 3.41Å; H468-Y470 VanDerWaalsContact O-CD2 3.28Å; H468-Y470 WeakPolarHBondContact O-CD2 3.46Å; H468-Y470 PolarHBondContact O-N 2.93Å | ||
| 469 | L | 30.4 | Very low | 37.1 | Very low | 163 Ų | 163 | 90.7 Ų | 90.7 | 85% | 0.853 | 50% | 0.504 | S | S | * | . | trans | -52.5 | 98.8 | 160 | -104.4 | 114 | 0 | 0 | 0 | 105.7 | H467 S471 | H467-L469 PolarHBondContact O-N 2.93Å; L469-S471 PolarHBondContact O-N 2.67Å; L469-S471 VanDerWaalsContact O-N 3.11Å | ||
| 470 | Y | 35.4 | Very low | 38.3 | Very low | 59 Ų | 59 | 84.7 Ų | 84.7 | 23% | 0.231 | 48% | 0.481 | C | S | . | . | trans | -58.4 | 123.1 | -179.4 | -68.6 | -83.9 | 0 | 0 | 0 | 107.1 | H468 L472 V506 R508 | H468-Y470 VanDerWaalsContact O-CD2 3.28Å; H468-Y470 WeakPolarHBondContact O-CD2 3.46Å; H468-Y470 PolarHBondContact O-N 2.93Å; Y470-L472 PolarHBondContact O-N 2.87Å; Y470-V506 HydrophobicContact CD1-CG2 3.92Å; Y470-V506 HydrophobicContact CD2-CG2 4.47Å; Y470-V506 HydrophobicContact CG-CB 4.32Å; Y470-V506 HydrophobicContact CG-CG2 3.82Å; Y470-R508 HydrophobicContact CE2-CB 4.23Å; Y470-R508 PolarHBondContact OH-NH1 3.12Å | ||
| 471 | S | 36.4 | Very low | 39.7 | Very low | 52 Ų | 52 | 77.3 Ų | 77.3 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | trans | -56.3 | 119.4 | -158.6 | 54 | 0 | 0 | 0 | 0 | 112.8 | L469 T473 | L469-S471 PolarHBondContact O-N 2.67Å; L469-S471 VanDerWaalsContact O-N 3.11Å; S471-T473 PolarHBondContact O-N 2.87Å | ||
| 472 | L | 36 | Very low | 41 | Very low | 98 Ų | 98 | 81 Ų | 81 | 51% | 0.513 | 45% | 0.451 | S | S | . | . | trans | -58.9 | 100 | 140.3 | -81.8 | 150.2 | 0 | 0 | 0 | 105.2 | Y470 P474 F501 L503 | Y470-L472 PolarHBondContact O-N 2.87Å; L472-P474 WeakPolarHBondContact O-CD 3.49Å; L472-F501 HydrophobicContact CD2-CD1 3.7Å; L472-F501 HydrophobicContact CD2-CE1 4.32Å; L472-L503 HydrophobicContact CD2-CD2 4.08Å | ||
| 473 | T | 41 | Very low | 42.4 | Very low | 50 Ų | 50 | 74.3 Ų | 74.3 | 31% | 0.307 | 42% | 0.417 | S | S | . | . | trans | -90.1 | 87.1 | 165.1 | 33.5 | 0 | 0 | 0 | 0 | 106.6 | S471 G475 I504 | S471-T473 PolarHBondContact O-N 2.87Å; T473-G475 PolarHBondContact O-N 3.1Å; T473-I504 WeakPolarHBondContact OG1-CD1 3.39Å | ||
| 474 | P | 42.3 | Very low | 43.8 | Very low | 12 Ų | 12 | 73.9 Ų | 73.9 | 8% | 0.078 | 41% | 0.406 | C | S | . | . | trans | -53.8 | 134.8 | 162.2 | 26.7 | -33 | 0 | 0 | 0 | 106.4 | L443 A445 L472 | L443-P474 HydrophobicContact CD2-CG 4.23Å; A445-P474 HydrophobicContact CB-CG 3.44Å; A445-P474 VanDerWaalsContact CB-CG 3.44Å; L472-P474 WeakPolarHBondContact O-CD 3.49Å | ||
| 475 | G | 42.6 | Very low | 45.2 | Very low | 26 Ų | 26 | 69.1 Ų | 69.1 | 27% | 0.268 | 38% | 0.375 | S | S | . | . | trans | -59.1 | 178.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T473 A477 | T473-G475 PolarHBondContact O-N 3.1Å; G475-A477 PolarHBondContact O-N 2.64Å; G475-A477 VanDerWaalsContact O-O 3.08Å | ||
| 476 | D | 48.4 | Very low | 46.4 | Very low | 150 Ų | 150 | 70 Ų | 70 | 80% | 0.802 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -57.1 | -12.5 | 175.1 | -74.6 | -46.5 | 0 | 0 | 0 | 113.9 | ||
| 477 | A | 47.9 | Very low | 47.5 | Very low | 56 Ų | 56 | 69.1 Ų | 69.1 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -75.6 | 141.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G475 H479 | G475-A477 PolarHBondContact O-N 2.64Å; G475-A477 VanDerWaalsContact O-O 3.08Å; A477-H479 PolarHBondContact O-CD2 2.91Å; A477-H479 PolarHBondContact O-N 3.28Å |
| 478 | E | 50.8 | Low | 48.4 | Very low | 76 Ų | 76 | 67.1 Ų | 67.1 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | trans | -79.1 | 117.5 | 177.1 | -65.4 | 177.9 | 169.6 | 0 | 0 | 109.3 | R421 Y442 R444 | R421-E478 WeakPolarHBondContact CD-OE1 3.35Å; R421-E478 IonicContact CZ-OE1 3.57Å; R421-E478 IonicContact NE-OE1 3.45Å; R421-E478 IonicContact NH1-OE1 2.83Å; R421-E478 PolarHBondContact NH1-OE1 2.86Å; Y442-E478 HydrophobicContact CD1-CB 4.4Å; R444-E478 IonicContact NH1-OE1 3.87Å | ||
| 479 | H | 61 | Low | 49.5 | Very low | 28 Ų | 28 | 65.7 Ų | 65.7 | 13% | 0.13 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129.8 | -178.6 | -65.6 | -78.4 | 0 | 0 | 0 | 111.2 | L443 A477 D500 F501 | L443-H479 PolarHBondContact N-O 3.41Å; A477-H479 PolarHBondContact O-CD2 2.91Å; A477-H479 PolarHBondContact O-N 3.28Å; H479-D500 PolarHBondContact CE1-O 3.36Å; H479-D500 PolarHBondContact ND1-O 3.42Å; H479-F501 HydrophobicContact CB-CD2 4.4Å; H479-F501 HydrophobicContact CB-CE1 4.48Å; H479-F501 HydrophobicContact CB-CE2 3.81Å; H479-F501 HydrophobicContact CB-CZ 3.85Å |
| 480 | P | 57 | Low | 50.9 | Low | 54 Ų | 54 | 59 Ų | 59 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 132.1 | 176.6 | 29.4 | -32.7 | 0 | 0 | 0 | 110.6 | Y442 | Y442-P480 HydrophobicContact CD1-CB 4.28Å; Y442-P480 HydrophobicContact CE1-CB 4.01Å |
| 481 | V | 59.5 | Low | 52.1 | Low | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.1 | 170.7 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | F441 L443 V483 F501 | F441-V481 HydrophobicContact CD2-CB 4.29Å; F441-V481 HydrophobicContact CE2-CB 3.91Å; F441-V481 HydrophobicContact CE2-CG1 4.28Å; F441-V481 HydrophobicContact CE2-CG2 4.35Å; F441-V481 HydrophobicContact CZ-CB 4.1Å; F441-V481 HydrophobicContact CZ-CG1 4.01Å; F441-V481 PolarHBondContact N-O 3.01Å; F441-V481 PolarHBondContact O-N 3.44Å; L443-V481 HydrophobicContact CB-CG2 4.14Å; L443-V481 HydrophobicContact CD1-CG2 4.05Å; V481-V483 HydrophobicContact CG1-CG2 3.88Å; V481-F501 HydrophobicContact CG2-CE2 3.62Å; V481-F501 HydrophobicContact CG2-CZ 3.32Å |
| 482 | E | 55.6 | Low | 53.2 | Low | 120 Ų | 120 | 57.2 Ų | 57.2 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.1 | 168.8 | -71.3 | -170.3 | 163.5 | 0 | 0 | 109.7 | C497 | E482-C497 PolarHBondContact N-O 3.21Å; E482-C497 PolarHBondContact O-N 3.22Å; E482-C497 VanDerWaalsContact O-N 3.12Å |
| 483 | V | 60.3 | Low | 54.8 | Low | 33 Ų | 33 | 53.2 Ų | 53.2 | 20% | 0.2 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 118.9 | 174.2 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | C439 F441 V481 | C439-V483 HydrophobicContact CB-CB 4.42Å; C439-V483 PolarHBondContact N-O 2.8Å; C439-V483 PolarHBondContact O-N 3.43Å; F441-V483 HydrophobicContact CE1-CG2 4.2Å; F441-V483 HydrophobicContact CZ-CG2 4.38Å; V481-V483 HydrophobicContact CG1-CG2 3.88Å |
| 484 | V | 58.5 | Low | 55.8 | Low | 34 Ų | 34 | 53.4 Ų | 53.4 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 113.9 | 173.7 | -170.8 | 0 | 0 | 0 | 0 | 108.1 | L438 Q486 D495 | L438-V484 HydrophobicContact CD1-CB 4.48Å; L438-V484 HydrophobicContact CD1-CG1 4.28Å; L438-V484 HydrophobicContact CD1-CG2 3.77Å; V484-Q486 HydrophobicContact CG1-CG 4.23Å; V484-D495 HydrophobicContact CB-CB 4.49Å; V484-D495 PolarHBondContact N-O 2.74Å; V484-D495 PolarHBondContact O-N 3.11Å |
| 485 | C | 59.6 | Low | 57 | Low | 19 Ų | 19 | 55.9 Ų | 55.9 | 13% | 0.128 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 123.7 | 173.1 | -63 | 0 | 0 | 0 | 0 | 110 | L437 S493 | L437-C485 HydrophobicContact CB-CB 4.28Å; L437-C485 PolarHBondContact N-O 3.49Å; L437-C485 PolarHBondContact O-N 3.22Å; C485-S493 WeakPolarHBondContact CA-O 3.4Å |
| 486 | Q | 56 | Low | 58.2 | Low | 83 Ų | 83 | 55.4 Ų | 55.4 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.1 | 176.3 | -56.5 | -178 | -1.1 | 0 | 0 | 110.2 | K436 V484 S493 | K436-Q486 HydrophobicContact CG-CG 4.29Å; V484-Q486 HydrophobicContact CG1-CG 4.23Å; Q486-S493 PolarHBondContact N-O 3.23Å; Q486-S493 PolarHBondContact O-N 3.32Å; Q486-S493 VanDerWaalsContact O-N 3.16Å |
| 487 | W | 52.6 | Low | 58.9 | Low | 123 Ų | 123 | 50.5 Ų | 50.5 | 47% | 0.466 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 114 | -179 | -61.7 | 70.2 | 0 | 0 | 0 | 109.7 | V433 R434 S435 V492 | V433-W487 VanDerWaalsContact CG1-O 3.3Å; V433-W487 WeakPolarHBondContact CG1-O 3.08Å; R434-W487 PolarHBondContact N-O 3.14Å; S435-W487 PolarHBondContact N-O 3.06Å; S435-W487 PolarHBondContact O-N 3.47Å; W487-V492 HydrophobicContact CE3-CG2 4.05Å; W487-V492 HydrophobicContact CZ3-CG2 4.21Å |
| 488 | S | 52.2 | Low | 59.7 | Low | 54 Ų | 54 | 48.5 Ų | 48.5 | 38% | 0.378 | 27% | 0.274 | S | S | . | . | trans | -117.7 | 176.4 | 170.1 | 76.8 | 0 | 0 | 0 | 0 | 110.6 | G490 L491 | S488-G490 PolarHBondContact O-N 3.35Å; S488-L491 PolarHBondContact N-O 3.13Å; S488-L491 WeakPolarHBondContact OG-CB 3.47Å; S488-L491 PolarHBondContact OG-N 3.06Å | ||
| 489 | A | 55.6 | Low | 60.3 | Low | 78 Ų | 78 | 46.5 Ų | 46.5 | 65% | 0.645 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -66.5 | 12.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 490 | G | 60 | Low | 60.3 | Low | 22 Ų | 22 | 49.4 Ų | 49.4 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -173.1 | 5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S488 K544 | S488-G490 PolarHBondContact O-N 3.35Å; G490-K544 PolarHBondContact O-N 3Å |
| 491 | L | 60.1 | Low | 60.4 | Low | 60 Ų | 60 | 47.3 Ų | 47.3 | 31% | 0.314 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.3 | 178.7 | -179.3 | 74.8 | 0 | 0 | 0 | 109.9 | S488 K544 M546 | S488-L491 PolarHBondContact N-O 3.13Å; S488-L491 WeakPolarHBondContact OG-CB 3.47Å; S488-L491 PolarHBondContact OG-N 3.06Å; L491-K544 WeakPolarHBondContact CA-O 3.35Å; L491-K544 HydrophobicContact CD1-CB 3.81Å; L491-K544 HydrophobicContact CD1-CD 3.91Å; L491-K544 HydrophobicContact CD1-CG 3.59Å; L491-M546 HydrophobicContact CD1-CG 3.94Å |
| 492 | V | 61.5 | Low | 60.1 | Low | 14 Ų | 14 | 51.4 Ų | 51.4 | 9% | 0.085 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 111.6 | 163.2 | -179.6 | 0 | 0 | 0 | 0 | 106.7 | W487 I494 L543 K544 V545 M546 | W487-V492 HydrophobicContact CE3-CG2 4.05Å; W487-V492 HydrophobicContact CZ3-CG2 4.21Å; V492-I494 HydrophobicContact CG1-CD1 4.49Å; V492-I494 HydrophobicContact CG1-CG1 4.24Å; V492-L543 HydrophobicContact CG2-CD1 4.44Å; V492-L543 HydrophobicContact CG2-CD2 4.29Å; V492-L543 HydrophobicContact CG2-CG 4.48Å; V492-K544 PolarHBondContact N-O 2.96Å; V492-V545 HydrophobicContact CB-CG2 4.41Å; V492-V545 CarbonylContact O-C 3.55Å; V492-V545 WeakPolarHBondContact O-CA 3.48Å; V492-M546 PolarHBondContact O-N 3.28Å |
| 493 | S | 67.9 | Low | 60 | Low | 15 Ų | 15 | 47.3 Ų | 47.3 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 130.5 | 170.3 | 65.2 | 0 | 0 | 0 | 0 | 110.5 | C485 Q486 M546 | C485-S493 WeakPolarHBondContact CA-O 3.4Å; Q486-S493 PolarHBondContact N-O 3.23Å; Q486-S493 PolarHBondContact O-N 3.32Å; Q486-S493 VanDerWaalsContact O-N 3.16Å; S493-M546 CarbonylContact C-O 3.17Å; S493-M546 WeakPolarHBondContact CA-O 3.34Å |
| 494 | I | 63.7 | Low | 59.6 | Low | 53 Ų | 53 | 48.4 Ų | 48.4 | 27% | 0.272 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 102.5 | 174.6 | -55.7 | 177.2 | 0 | 0 | 0 | 106.6 | V492 M546 C547 K548 | V492-I494 HydrophobicContact CG1-CD1 4.49Å; V492-I494 HydrophobicContact CG1-CG1 4.24Å; I494-M546 PolarHBondContact N-O 3.25Å; I494-C547 CarbonylContact O-C 3.55Å; I494-C547 WeakPolarHBondContact O-CA 3.35Å; I494-K548 PolarHBondContact O-N 2.8Å |
| 495 | D | 67.3 | Low | 59.1 | Low | 65 Ų | 65 | 48.8 Ų | 48.8 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 118.4 | 172.4 | -72.5 | -14.4 | 0 | 0 | 0 | 108.1 | V484 K548 | V484-D495 HydrophobicContact CB-CB 4.49Å; V484-D495 PolarHBondContact N-O 2.74Å; V484-D495 PolarHBondContact O-N 3.11Å; D495-K548 WeakPolarHBondContact CA-O 3.49Å; D495-K548 VanDerWaalsContact OD1-CB 3.24Å; D495-K548 WeakPolarHBondContact OD1-CB 3.39Å |
| 496 | C | 66.5 | Low | 58.5 | Low | 16 Ų | 16 | 48.4 Ų | 48.4 | 11% | 0.108 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.5 | 175.2 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | K548 F549 N550 | C496-K548 PolarHBondContact N-O 3.23Å; C496-F549 HydrophobicContact CB-CD1 3.55Å; C496-F549 HydrophobicContact CB-CE1 3.63Å; C496-F549 HydrophobicContact CB-CG 4.35Å; C496-F549 HydrophobicContact CB-CZ 4.48Å; C496-F549 WeakPolarHBondContact O-CA 3.32Å; C496-N550 PolarHBondContact O-N 2.91Å |
| 497 | C | 64.5 | Low | 58 | Low | 47 Ų | 47 | 48.2 Ų | 48.2 | 32% | 0.318 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 116.4 | 171.2 | -90.4 | 0 | 0 | 0 | 0 | 108.8 | E482 N550 | E482-C497 PolarHBondContact N-O 3.21Å; E482-C497 PolarHBondContact O-N 3.22Å; E482-C497 VanDerWaalsContact O-N 3.12Å; C497-N550 PolarHBondContact SG-ND2 2.79Å; C497-N550 VanDerWaalsContact SG-ND2 3.37Å |
| 498 | A | 63.3 | Low | 57.6 | Low | 13 Ų | 13 | 47.1 Ų | 47.1 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | F501 N550 I552 | A498-F501 HydrophobicContact CB-CD2 3.56Å; A498-F501 HydrophobicContact CB-CE2 3.9Å; A498-F501 HydrophobicContact CB-CG 4.28Å; A498-N550 PolarHBondContact N-O 2.98Å; A498-N550 VanDerWaalsContact N-O 3.08Å; A498-I552 PolarHBondContact O-N 2.96Å; A498-I552 VanDerWaalsContact O-N 3.1Å |
| 499 | S | 64.6 | Low | 57 | Low | 34 Ų | 34 | 49.3 Ų | 49.3 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 139.6 | 174.6 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | F501 I552 | S499-F501 VanDerWaalsContact C-N 3.27Å; S499-F501 WeakPolarHBondContact O-CD2 2.6Å; S499-F501 PolarHBondContact O-N 2.93Å; S499-I552 WeakPolarHBondContact CA-O 3.43Å |
| 500 | D | 59.6 | Low | 56.2 | Low | 90 Ų | 90 | 50.3 Ų | 50.3 | 48% | 0.481 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 60.3 | 26 | 174.5 | -55.3 | -44.4 | 0 | 0 | 0 | 115.9 | H479 I552 H553 | H479-D500 PolarHBondContact CE1-O 3.36Å; H479-D500 PolarHBondContact ND1-O 3.42Å; D500-I552 PolarHBondContact N-O 2.97Å; D500-H553 WeakPolarHBondContact OD1-CB 3.5Å |
| 501 | F | 59.3 | Low | 55.3 | Low | 9 Ų | 9 | 53.9 Ų | 53.9 | 4% | 0.039 | 28% | 0.278 | C | S | . | . | trans | -77.6 | 147.2 | 176.7 | -89 | -95.6 | 0 | 0 | 0 | 113 | L472 H479 V481 A498 S499 C554 Q555 | L472-F501 HydrophobicContact CD2-CD1 3.7Å; L472-F501 HydrophobicContact CD2-CE1 4.32Å; H479-F501 HydrophobicContact CB-CD2 4.4Å; H479-F501 HydrophobicContact CB-CE1 4.48Å; H479-F501 HydrophobicContact CB-CE2 3.81Å; H479-F501 HydrophobicContact CB-CZ 3.85Å; V481-F501 HydrophobicContact CG2-CE2 3.62Å; V481-F501 HydrophobicContact CG2-CZ 3.32Å; A498-F501 HydrophobicContact CB-CD2 3.56Å; A498-F501 HydrophobicContact CB-CE2 3.9Å; A498-F501 HydrophobicContact CB-CG 4.28Å; S499-F501 VanDerWaalsContact C-N 3.27Å; S499-F501 WeakPolarHBondContact O-CD2 2.6Å; S499-F501 PolarHBondContact O-N 2.93Å; F501-C554 CarbonylContact O-C 3.58Å; F501-C554 WeakPolarHBondContact O-CA 3.35Å; F501-C554 WeakPolarHBondContact O-CB 3.42Å; F501-Q555 PolarHBondContact O-N 3.23Å | ||
| 502 | R | 53.8 | Low | 54.4 | Low | 98 Ų | 98 | 53 Ų | 53 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 118 | 162 | -80.9 | -178.8 | 178.5 | 163 | 3.7 | 110.3 | Q555 H557 | R502-Q555 CarbonylContact C-O 3.44Å; R502-Q555 WeakPolarHBondContact CA-O 3.46Å; R502-Q555 HydrophobicContact CG-CB 3.95Å; R502-H557 WeakPolarHBondContact CD-NE2 3.4Å |
| 503 | L | 52.9 | Low | 53.4 | Low | 33 Ų | 33 | 54.6 Ų | 54.6 | 17% | 0.173 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.1 | 175.2 | -79.5 | 156.3 | 0 | 0 | 0 | 109.2 | L472 L551 C554 Q555 L556 H557 | L472-L503 HydrophobicContact CD2-CD2 4.08Å; L503-L551 HydrophobicContact CD1-CD1 3.43Å; L503-L551 VanDerWaalsContact CD1-CD1 3.43Å; L503-L551 HydrophobicContact CD1-CD2 3.74Å; L503-L551 HydrophobicContact CD1-CG 4.25Å; L503-C554 HydrophobicContact CD1-CB 4.21Å; L503-Q555 PolarHBondContact N-O 3.39Å; L503-L556 HydrophobicContact CB-CD1 3.98Å; L503-L556 CarbonylContact O-C 3.51Å; L503-L556 WeakPolarHBondContact O-CA 3.39Å; L503-H557 PolarHBondContact O-N 2.95Å |
| 504 | I | 52.2 | Low | 52.1 | Low | 57 Ų | 57 | 56.7 Ų | 56.7 | 29% | 0.292 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 106.4 | 170.7 | -56.8 | 174.9 | 0 | 0 | 0 | 107.8 | T473 V506 H557 | T473-I504 WeakPolarHBondContact OG1-CD1 3.39Å; I504-V506 HydrophobicContact CG2-CG2 4.21Å; I504-V506 PolarHBondContact O-N 3.14Å; I504-H557 HydrophobicContact CG1-CB 4.21Å |
| 505 | C | 48.5 | Very low | 51.1 | Low | 41 Ų | 41 | 59 Ų | 59 | 28% | 0.277 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 100.8 | -179.7 | -160 | 0 | 0 | 0 | 0 | 109.5 | L556 H557 | C505-L556 HydrophobicContact CB-CD1 3.69Å; C505-L556 HydrophobicContact CB-CG 4.29Å; C505-H557 PolarHBondContact N-O 3.49Å |
| 506 | V | 46.8 | Very low | 49.7 | Very low | 12 Ų | 12 | 63 Ų | 63 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | trans | -92.9 | 140.3 | 169 | -158.3 | 0 | 0 | 0 | 0 | 107.4 | Y470 I504 R508 W509 | Y470-V506 HydrophobicContact CD1-CG2 3.92Å; Y470-V506 HydrophobicContact CD2-CG2 4.47Å; Y470-V506 HydrophobicContact CG-CB 4.32Å; Y470-V506 HydrophobicContact CG-CG2 3.82Å; I504-V506 HydrophobicContact CG2-CG2 4.21Å; I504-V506 PolarHBondContact O-N 3.14Å; V506-R508 PolarHBondContact O-N 2.91Å; V506-W509 PolarHBondContact O-N 3.43Å | ||
| 507 | P | 44.2 | Very low | 48.3 | Very low | 79 Ų | 79 | 63.6 Ų | 63.6 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -22.3 | -174.8 | -29.5 | 37.1 | 0 | 0 | 0 | 115.1 | W509 Y675 | P507-W509 PolarHBondContact O-N 2.71Å; P507-Y675 HydrophobicContact CG-CE2 4.32Å; P507-Y675 WeakPolarHBondContact CG-OH 3.37Å |
| 508 | R | 44.4 | Very low | 47.1 | Very low | 99 Ų | 99 | 65.2 Ų | 65.2 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -8.9 | 178.9 | -70.5 | 179 | 168.6 | 167.5 | -5.2 | 115.3 | Y470 V506 L510 E511 A512 N684 | Y470-R508 HydrophobicContact CE2-CB 4.23Å; Y470-R508 PolarHBondContact OH-NH1 3.12Å; V506-R508 PolarHBondContact O-N 2.91Å; R508-L510 VanDerWaalsContact C-N 3.34Å; R508-L510 PolarHBondContact O-N 3.2Å; R508-E511 PolarHBondContact O-N 3.01Å; R508-A512 WeakPolarHBondContact O-CB 3.11Å; R508-A512 PolarHBondContact O-N 2.82Å; R508-N684 PolarHBondContact NH2-ND2 3.31Å |
| 509 | W | 39.2 | Very low | 46 | Very low | 100 Ų | 100 | 67 Ų | 67 | 38% | 0.379 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | -174.1 | 117.5 | -71.9 | 0 | 0 | 0 | 112.7 | V506 P507 E511 A512 F513 F578 | V506-W509 PolarHBondContact O-N 3.43Å; P507-W509 PolarHBondContact O-N 2.71Å; W509-E511 PolarHBondContact O-N 2.72Å; W509-A512 PolarHBondContact O-N 3.24Å; W509-F513 WeakPolarHBondContact O-CB 3.49Å; W509-F513 PolarHBondContact O-N 3.3Å; W509-F578 HydrophobicContact CZ2-CE1 4.44Å |
| 510 | L | 39.8 | Very low | 44.7 | Very low | 99 Ų | 99 | 68.3 Ų | 68.3 | 52% | 0.518 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.8 | -38.4 | -174.9 | -159.8 | 82.1 | 0 | 0 | 0 | 110.5 | R508 N514 | R508-L510 VanDerWaalsContact C-N 3.34Å; R508-L510 PolarHBondContact O-N 3.2Å; L510-N514 WeakPolarHBondContact O-CB 3.28Å; L510-N514 PolarHBondContact O-N 3.35Å |
| 511 | E | 41.5 | Very low | 43.5 | Very low | 97 Ų | 97 | 68.8 Ų | 68.8 | 45% | 0.453 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 173.4 | -165.1 | -165.5 | 162 | 0 | 0 | 111.4 | R508 W509 N514 K515 | R508-E511 PolarHBondContact O-N 3.01Å; W509-E511 PolarHBondContact O-N 2.72Å; E511-N514 PolarHBondContact O-N 3.29Å; E511-K515 HydrophobicContact CG-CD 4.4Å; E511-K515 WeakPolarHBondContact O-CB 3.48Å; E511-K515 WeakPolarHBondContact O-CG 3.43Å; E511-K515 PolarHBondContact O-N 3.01Å; E511-K515 WeakPolarHBondContact OE1-CE 3.49Å; E511-K515 IonicContact OE1-NZ 3.52Å; E511-K515 PolarHBondContact OE1-NZ 2.82Å |
| 512 | A | 40.2 | Very low | 42.3 | Very low | 43 Ų | 43 | 76.6 Ų | 76.6 | 36% | 0.355 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R508 W509 K515 Y516 | R508-A512 WeakPolarHBondContact O-CB 3.11Å; R508-A512 PolarHBondContact O-N 2.82Å; W509-A512 PolarHBondContact O-N 3.24Å; A512-K515 PolarHBondContact O-N 3.39Å; A512-Y516 VanDerWaalsContact O-CB 3.25Å; A512-Y516 WeakPolarHBondContact O-CB 3.45Å; A512-Y516 PolarHBondContact O-N 2.74Å |
| 513 | F | 40.1 | Very low | 41.1 | Very low | 46 Ų | 46 | 79 Ų | 79 | 20% | 0.202 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 175.1 | -175.5 | -96.6 | 0 | 0 | 0 | 111.2 | W509 Y516 M517 F549 L589 | W509-F513 WeakPolarHBondContact O-CB 3.49Å; W509-F513 PolarHBondContact O-N 3.3Å; F513-Y516 PolarHBondContact O-N 3.14Å; F513-M517 HydrophobicContact CD1-CG 4.25Å; F513-M517 HydrophobicContact CE1-CG 3.87Å; F513-M517 HydrophobicContact CZ-CG 4.03Å; F513-M517 HydrophobicContact CZ-SD 4.36Å; F513-M517 WeakPolarHBondContact O-CB 3.15Å; F513-M517 WeakPolarHBondContact O-CG 3.35Å; F513-M517 PolarHBondContact O-N 3.39Å; F513-F549 HydrophobicContact CE2-CE2 4.47Å; F513-L589 HydrophobicContact CD1-CD2 4.41Å; F513-L589 HydrophobicContact CE1-CD2 3.79Å |
| 514 | N | 41 | Very low | 40 | Very low | 60 Ų | 60 | 86.6 Ų | 86.6 | 32% | 0.321 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 173.8 | -81.5 | -18.3 | 0 | 0 | 0 | 112 | L510 E511 Y516 M517 L518 L589 | L510-N514 WeakPolarHBondContact O-CB 3.28Å; L510-N514 PolarHBondContact O-N 3.35Å; E511-N514 PolarHBondContact O-N 3.29Å; N514-Y516 VanDerWaalsContact C-N 3.3Å; N514-Y516 PolarHBondContact O-N 2.87Å; N514-M517 PolarHBondContact O-N 2.61Å; N514-L518 WeakPolarHBondContact O-CB 3.2Å; N514-L518 WeakPolarHBondContact O-CD1 3.3Å; N514-L518 VanDerWaalsContact O-CG 3.23Å; N514-L518 WeakPolarHBondContact O-CG 3.43Å; N514-L518 PolarHBondContact O-N 3.12Å; N514-L589 VanDerWaalsContact OD1-CD1 3.29Å; N514-L589 WeakPolarHBondContact OD1-CD1 3.44Å |
| 515 | K | 42.2 | Very low | 38.9 | Very low | 100 Ų | 100 | 89.7 Ų | 89.7 | 44% | 0.435 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 175.6 | -81.1 | 173.9 | 170.9 | 166.2 | 0 | 112.1 | E511 A512 A519 | E511-K515 HydrophobicContact CG-CD 4.4Å; E511-K515 WeakPolarHBondContact O-CB 3.48Å; E511-K515 WeakPolarHBondContact O-CG 3.43Å; E511-K515 PolarHBondContact O-N 3.01Å; E511-K515 WeakPolarHBondContact OE1-CE 3.49Å; E511-K515 IonicContact OE1-NZ 3.52Å; E511-K515 PolarHBondContact OE1-NZ 2.82Å; A512-K515 PolarHBondContact O-N 3.39Å; K515-A519 WeakPolarHBondContact O-CB 3.49Å; K515-A519 PolarHBondContact O-N 3.4Å |
| 516 | Y | 39.7 | Very low | 37.8 | Very low | 149 Ų | 149 | 92.4 Ų | 92.4 | 58% | 0.584 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69.3 | -46.3 | 177.6 | -179.8 | -94.4 | 0 | 0 | 0 | 112 | A512 F513 N514 L518 A519 S520 | A512-Y516 VanDerWaalsContact O-CB 3.25Å; A512-Y516 WeakPolarHBondContact O-CB 3.45Å; A512-Y516 PolarHBondContact O-N 2.74Å; F513-Y516 PolarHBondContact O-N 3.14Å; N514-Y516 VanDerWaalsContact C-N 3.3Å; N514-Y516 PolarHBondContact O-N 2.87Å; Y516-L518 VanDerWaalsContact C-N 3.27Å; Y516-L518 PolarHBondContact O-N 2.94Å; Y516-A519 PolarHBondContact O-N 2.79Å; Y516-S520 WeakPolarHBondContact O-CB 3.42Å; Y516-S520 PolarHBondContact O-N 2.79Å; Y516-S520 PolarHBondContact O-OG 2.92Å |
| 517 | M | 36.6 | Very low | 36.8 | Very low | 30 Ų | 30 | 96.1 Ų | 96.1 | 15% | 0.148 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -60 | -39.7 | 174.9 | -75 | -64.4 | -66.1 | 0 | 0 | 111.2 | F513 N514 S520 L521 | F513-M517 HydrophobicContact CD1-CG 4.25Å; F513-M517 HydrophobicContact CE1-CG 3.87Å; F513-M517 HydrophobicContact CZ-CG 4.03Å; F513-M517 HydrophobicContact CZ-SD 4.36Å; F513-M517 WeakPolarHBondContact O-CB 3.15Å; F513-M517 WeakPolarHBondContact O-CG 3.35Å; F513-M517 PolarHBondContact O-N 3.39Å; N514-M517 PolarHBondContact O-N 2.61Å; M517-S520 PolarHBondContact O-OG 3.5Å; M517-L521 WeakPolarHBondContact O-CD1 3.5Å; M517-L521 PolarHBondContact O-N 3Å |
| 518 | L | 39.7 | Very low | 36 | Very low | 80 Ų | 80 | 98.4 Ų | 98.4 | 42% | 0.419 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.1 | -47.8 | 173.6 | -70.3 | 166.8 | 0 | 0 | 0 | 111.8 | N514 Y516 S520 L521 W522 | N514-L518 WeakPolarHBondContact O-CB 3.2Å; N514-L518 WeakPolarHBondContact O-CD1 3.3Å; N514-L518 VanDerWaalsContact O-CG 3.23Å; N514-L518 WeakPolarHBondContact O-CG 3.43Å; N514-L518 PolarHBondContact O-N 3.12Å; Y516-L518 VanDerWaalsContact C-N 3.27Å; Y516-L518 PolarHBondContact O-N 2.94Å; L518-S520 PolarHBondContact O-N 2.85Å; L518-L521 PolarHBondContact O-N 2.9Å; L518-W522 PolarHBondContact O-N 2.87Å |
| 519 | A | 39.6 | Very low | 35.3 | Very low | 50 Ų | 50 | 98.8 Ų | 98.8 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.8 | -35.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K515 Y516 L521 W522 | K515-A519 WeakPolarHBondContact O-CB 3.49Å; K515-A519 PolarHBondContact O-N 3.4Å; Y516-A519 PolarHBondContact O-N 2.79Å; A519-L521 VanDerWaalsContact C-N 3.29Å; A519-L521 PolarHBondContact O-N 2.88Å; A519-W522 PolarHBondContact O-N 2.89Å; A519-W522 VanDerWaalsContact O-N 3.17Å |
| 520 | S | 37.5 | Very low | 34.6 | Very low | 62 Ų | 62 | 99.7 Ų | 99.7 | 43% | 0.434 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72 | -21.9 | 178.4 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | Y516 M517 L518 | Y516-S520 WeakPolarHBondContact O-CB 3.42Å; Y516-S520 PolarHBondContact O-N 2.79Å; Y516-S520 PolarHBondContact O-OG 2.92Å; M517-S520 PolarHBondContact O-OG 3.5Å; L518-S520 PolarHBondContact O-N 2.85Å |
| 521 | L | 35.1 | Very low | 33.9 | Very low | 100 Ų | 100 | 103.1 Ų | 103.1 | 52% | 0.524 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -82.1 | -18.3 | 169.3 | -75.5 | 164.4 | 0 | 0 | 0 | 113.3 | M517 L518 A519 | M517-L521 WeakPolarHBondContact O-CD1 3.5Å; M517-L521 PolarHBondContact O-N 3Å; L518-L521 PolarHBondContact O-N 2.9Å; A519-L521 VanDerWaalsContact C-N 3.29Å; A519-L521 PolarHBondContact O-N 2.88Å |
| 522 | W | 33.6 | Very low | 33.1 | Very low | 174 Ų | 174 | 108.3 Ų | 108.3 | 66% | 0.659 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -94.7 | -5.1 | -175.5 | -83.9 | 62.2 | 0 | 0 | 0 | 115.2 | L518 A519 E524 | L518-W522 PolarHBondContact O-N 2.87Å; A519-W522 PolarHBondContact O-N 2.89Å; A519-W522 VanDerWaalsContact O-N 3.17Å; W522-E524 VanDerWaalsContact C-N 3.31Å; W522-E524 PolarHBondContact O-N 3.18Å; W522-E524 VanDerWaalsContact O-N 3.16Å |
| 523 | L | 28.5 | Very low | 32.4 | Very low | 147 Ų | 147 | 113.4 Ų | 113.4 | 77% | 0.77 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 13.2 | -166.2 | -126.2 | 134.1 | 0 | 0 | 0 | 116.6 | ||
| 524 | E | 30.3 | Very low | 31.8 | Very low | 194 Ų | 194 | 120.9 Ų | 120.9 | 91% | 0.907 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | -0.5 | 172 | -83.3 | -168.2 | 173 | 0 | 0 | 116.3 | W522 | W522-E524 VanDerWaalsContact C-N 3.31Å; W522-E524 PolarHBondContact O-N 3.18Å; W522-E524 VanDerWaalsContact O-N 3.16Å |
| 525 | T | 27.5 | Very low | 31.1 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 74% | 0.742 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -109.9 | -4.1 | -178.5 | 53.2 | 0 | 0 | 0 | 0 | 115.9 | ||
| 526 | A | 26.3 | Very low | 30.2 | Very low | 98 Ų | 98 | 121 Ų | 121 | 81% | 0.81 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -94.9 | 4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 527 | A | 26.3 | Very low | 29.5 | Very low | 90 Ų | 90 | 121.7 Ų | 121.7 | 74% | 0.744 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -147.2 | 63 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 528 | V | 26.5 | Very low | 29 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -143.6 | 138.9 | 151.3 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 529 | P | 29.1 | Very low | 28.6 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | trans | -76.2 | 131.2 | -173.2 | -5.4 | 24.1 | 0 | 0 | 0 | 113.2 | E531 | P529-E531 PolarHBondContact O-N 3.5Š| ||
| 530 | S | 25.3 | Very low | 28.4 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 30.7 | 9.1 | 145.1 | 62.5 | 0 | 0 | 0 | 0 | 125.5 | ||
| 531 | E | 25.5 | Very low | 28.7 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -137 | 36.5 | -178 | -73.2 | -169.9 | 168.9 | 0 | 0 | 117.2 | P529 | P529-E531 PolarHBondContact O-N 3.5Š| ||
| 532 | F | 24.3 | Very low | 29.3 | Very low | 205 Ų | 205 | 135.7 Ų | 135.7 | 90% | 0.899 | 77% | 0.771 | S | S | * | * | trans | -120.8 | 97.1 | 165.7 | -81.8 | -80.5 | 0 | 0 | 0 | 112.2 | ||||
| 533 | D | 26.7 | Very low | 30.1 | Very low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | trans | -61.5 | 128.1 | 168.5 | -80.9 | -36.5 | 0 | 0 | 0 | 112.2 | A535 | D533-A535 VanDerWaalsContact C-N 3.27Å; D533-A535 PolarHBondContact O-N 3.34Å | ||
| 534 | E | 26.5 | Very low | 31.5 | Very low | 202 Ų | 202 | 129.2 Ų | 129.2 | 94% | 0.944 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 35.5 | 7.9 | 146.5 | -65.1 | -166.9 | 158.1 | 0 | 0 | 123.4 | G536 | E534-G536 PolarHBondContact O-N 3.34Š|
| 535 | A | 26.6 | Very low | 32.9 | Very low | 99 Ų | 99 | 121 Ų | 121 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | -93.3 | 73 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D533 | D533-A535 VanDerWaalsContact C-N 3.27Å; D533-A535 PolarHBondContact O-N 3.34Å | ||
| 536 | G | 23.8 | Very low | 34.8 | Very low | 64 Ų | 64 | 118.1 Ų | 118.1 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | trans | 56.6 | 75.5 | 143.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | E534 | E534-G536 PolarHBondContact O-N 3.34Š| ||
| 537 | L | 24.5 | Very low | 36.5 | Very low | 164 Ų | 164 | 114 Ų | 114 | 86% | 0.859 | 65% | 0.652 | S | S | * | * | trans | -99 | 68.4 | 142.2 | -119.6 | 92.5 | 0 | 0 | 0 | 109 | T539 | L537-T539 VanDerWaalsContact C-N 3.27Å; L537-T539 HydrophobicContact CD2-CG2 4.34Å; L537-T539 PolarHBondContact O-N 3.45Å; L537-T539 VanDerWaalsContact O-N 3.09Å | ||
| 538 | R | 24.9 | Very low | 38.6 | Very low | 234 Ų | 234 | 112.8 Ų | 112.8 | 88% | 0.883 | 63% | 0.63 | S | S | * | * | trans | -62.1 | 103.9 | 144.9 | -70.3 | -178.3 | 179.1 | -177.6 | -0.6 | 104.2 | A540 | R538-A540 PolarHBondContact O-N 3.21Š| ||
| 539 | T | 31.5 | Very low | 40.4 | Very low | 118 Ų | 118 | 110.3 Ų | 110.3 | 72% | 0.724 | 61% | 0.609 | S | S | * | * | trans | -61.2 | 96.1 | 161.4 | 46.5 | 0 | 0 | 0 | 0 | 105.5 | L537 D541 | L537-T539 VanDerWaalsContact C-N 3.27Å; L537-T539 HydrophobicContact CD2-CG2 4.34Å; L537-T539 PolarHBondContact O-N 3.45Å; L537-T539 VanDerWaalsContact O-N 3.09Å; T539-D541 PolarHBondContact O-N 3.14Å | ||
| 540 | A | 36.8 | Very low | 42.4 | Very low | 81 Ų | 81 | 106.6 Ų | 106.6 | 67% | 0.669 | 58% | 0.584 | S | S | * | * | trans | -55.9 | 122.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | R538 | R538-A540 PolarHBondContact O-N 3.21Š| ||
| 541 | D | 42.9 | Very low | 44.5 | Very low | 139 Ų | 139 | 101.8 Ų | 101.8 | 74% | 0.743 | 55% | 0.548 | S | S | * | . | S | Bend | trans | 64.8 | 122.7 | 172.4 | -52.6 | -31.7 | 0 | 0 | 0 | 116.2 | T539 L543 | T539-D541 PolarHBondContact O-N 3.14Å; D541-L543 PolarHBondContact O-N 3.38Å; D541-L543 VanDerWaalsContact O-N 3.1Å |
| 542 | G | 48.5 | Very low | 46.4 | Very low | 44 Ų | 44 | 97.4 Ų | 97.4 | 45% | 0.454 | 53% | 0.53 | S | S | . | . | trans | -47.8 | 113.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | K544 | G542-K544 PolarHBondContact O-N 3.04Å; G542-K544 VanDerWaalsContact O-N 3.09Å | ||
| 543 | L | 49.7 | Very low | 48.4 | Very low | 97 Ų | 97 | 93.2 Ų | 93.2 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | trans | -67.9 | 107.4 | 171 | -164 | 92.1 | 0 | 0 | 0 | 108.3 | V492 D541 V545 | V492-L543 HydrophobicContact CG2-CD1 4.44Å; V492-L543 HydrophobicContact CG2-CD2 4.29Å; V492-L543 HydrophobicContact CG2-CG 4.48Å; D541-L543 PolarHBondContact O-N 3.38Å; D541-L543 VanDerWaalsContact O-N 3.1Å; L543-V545 HydrophobicContact CD2-CG2 4Å | ||
| 544 | K | 58.6 | Low | 50.3 | Low | 87 Ų | 87 | 86 Ų | 86 | 38% | 0.378 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 118.9 | 173.5 | 177.8 | 165.7 | -178.8 | 178.5 | 0 | 109 | G490 L491 V492 G542 M546 C582 V583 | G490-K544 PolarHBondContact O-N 3Å; L491-K544 WeakPolarHBondContact CA-O 3.35Å; L491-K544 HydrophobicContact CD1-CB 3.81Å; L491-K544 HydrophobicContact CD1-CD 3.91Å; L491-K544 HydrophobicContact CD1-CG 3.59Å; V492-K544 PolarHBondContact N-O 2.96Å; G542-K544 PolarHBondContact O-N 3.04Å; G542-K544 VanDerWaalsContact O-N 3.09Å; K544-M546 HydrophobicContact CD-CG 4.39Å; K544-M546 HydrophobicContact CD-SD 4.39Å; K544-M546 WeakPolarHBondContact CE-SD 3.24Å; K544-M546 HydrophobicContact CG-CG 3.99Å; K544-M546 HydrophobicContact CG-SD 4.3Å; K544-C582 WeakPolarHBondContact CA-O 3.47Å; K544-V583 HydrophobicContact CD-CG2 3.79Å; K544-V583 HydrophobicContact CG-CG2 3.8Å |
| 545 | V | 59.1 | Low | 52.1 | Low | 22 Ų | 22 | 78.8 Ų | 78.8 | 13% | 0.133 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.5 | 172.5 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | V492 L543 A581 C582 | V492-V545 HydrophobicContact CB-CG2 4.41Å; V492-V545 CarbonylContact O-C 3.55Å; V492-V545 WeakPolarHBondContact O-CA 3.48Å; L543-V545 HydrophobicContact CD2-CG2 4Å; V545-A581 CarbonylContact O-C 3.59Å; V545-A581 VanDerWaalsContact O-CA 3.32Å; V545-A581 WeakPolarHBondContact O-CA 3.44Å; V545-C582 HydrophobicContact CB-CB 4.36Å; V545-C582 PolarHBondContact N-O 3.28Å; V545-C582 PolarHBondContact O-N 3.32Å |
| 546 | M | 66.3 | Low | 53.8 | Low | 61 Ų | 61 | 75.9 Ų | 75.9 | 30% | 0.3 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 119.9 | 176.5 | -65 | -73.3 | -60.4 | 0 | 0 | 108.6 | L491 V492 S493 I494 K544 A581 | L491-M546 HydrophobicContact CD1-CG 3.94Å; V492-M546 PolarHBondContact O-N 3.28Å; S493-M546 CarbonylContact C-O 3.17Å; S493-M546 WeakPolarHBondContact CA-O 3.34Å; I494-M546 PolarHBondContact N-O 3.25Å; K544-M546 HydrophobicContact CD-CG 4.39Å; K544-M546 HydrophobicContact CD-SD 4.39Å; K544-M546 WeakPolarHBondContact CE-SD 3.24Å; K544-M546 HydrophobicContact CG-CG 3.99Å; K544-M546 HydrophobicContact CG-SD 4.3Å; M546-A581 HydrophobicContact CE-CB 4.18Å; M546-A581 HydrophobicContact SD-CB 3.32Å; M546-A581 WeakPolarHBondContact SD-CB 3.48Å |
| 547 | C | 62.3 | Low | 55.6 | Low | 11 Ų | 11 | 73.7 Ų | 73.7 | 7% | 0.074 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.1 | 170.6 | -72.1 | 0 | 0 | 0 | 0 | 109 | I494 F549 R579 G580 | I494-C547 CarbonylContact O-C 3.55Å; I494-C547 WeakPolarHBondContact O-CA 3.35Å; C547-F549 HydrophobicContact CB-CE2 4.29Å; C547-R579 CarbonylContact O-C 3.6Å; C547-R579 WeakPolarHBondContact O-CA 3.41Å; C547-G580 PolarHBondContact N-O 3.41Å; C547-G580 PolarHBondContact O-N 3.33Å |
| 548 | K | 70.5 | Confident | 57.3 | Low | 64 Ų | 64 | 68.6 Ų | 68.6 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118 | 173 | -175.8 | 179.1 | 176.4 | -170.6 | 0 | 109.1 | I494 D495 C496 N550 F578 R579 | I494-K548 PolarHBondContact O-N 2.8Å; D495-K548 WeakPolarHBondContact CA-O 3.49Å; D495-K548 VanDerWaalsContact OD1-CB 3.24Å; D495-K548 WeakPolarHBondContact OD1-CB 3.39Å; C496-K548 PolarHBondContact N-O 3.23Å; K548-N550 WeakPolarHBondContact CE-OD1 3.34Å; K548-F578 CarbonylContact C-O 3.6Å; K548-F578 WeakPolarHBondContact CA-O 3.32Å; K548-R579 HydrophobicContact CG-CG 4.11Å |
| 549 | F | 65 | Low | 58.8 | Low | 76 Ų | 76 | 58 Ų | 58 | 33% | 0.333 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 112.6 | 171.1 | -72 | -90.4 | 0 | 0 | 0 | 108.7 | C496 F513 C547 S577 F578 | C496-F549 HydrophobicContact CB-CD1 3.55Å; C496-F549 HydrophobicContact CB-CE1 3.63Å; C496-F549 HydrophobicContact CB-CG 4.35Å; C496-F549 HydrophobicContact CB-CZ 4.48Å; C496-F549 WeakPolarHBondContact O-CA 3.32Å; F513-F549 HydrophobicContact CE2-CE2 4.47Å; C547-F549 HydrophobicContact CB-CE2 4.29Å; F549-S577 CarbonylContact O-C 3.54Å; F549-S577 VanDerWaalsContact O-CA 3.29Å; F549-S577 WeakPolarHBondContact O-CA 3.4Å; F549-F578 HydrophobicContact CB-CB 4.3Å; F549-F578 PolarHBondContact N-O 3.43Å; F549-F578 PolarHBondContact O-N 3.43Å |
| 550 | N | 71.6 | Confident | 59.7 | Low | 28 Ų | 28 | 53.4 Ų | 53.4 | 15% | 0.15 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125.4 | 173.3 | -58.4 | -44.2 | 0 | 0 | 0 | 109.1 | C496 C497 A498 K548 S577 | C496-N550 PolarHBondContact O-N 2.91Å; C497-N550 PolarHBondContact SG-ND2 2.79Å; C497-N550 VanDerWaalsContact SG-ND2 3.37Å; A498-N550 PolarHBondContact N-O 2.98Å; A498-N550 VanDerWaalsContact N-O 3.08Å; K548-N550 WeakPolarHBondContact CE-OD1 3.34Å; N550-S577 VanDerWaalsContact OD1-CB 3.26Å; N550-S577 WeakPolarHBondContact OD1-CB 3.49Å |
| 551 | L | 67.8 | Low | 60.2 | Low | 19 Ų | 19 | 51.3 Ų | 51.3 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 117.8 | 170.9 | -60.9 | -175.1 | 0 | 0 | 0 | 108.3 | L503 C554 S575 G576 F578 | L503-L551 HydrophobicContact CD1-CD1 3.43Å; L503-L551 VanDerWaalsContact CD1-CD1 3.43Å; L503-L551 HydrophobicContact CD1-CD2 3.74Å; L503-L551 HydrophobicContact CD1-CG 4.25Å; L551-C554 HydrophobicContact CB-CB 4.12Å; L551-C554 HydrophobicContact CD1-CB 4.49Å; L551-C554 HydrophobicContact CD2-CB 4.36Å; L551-S575 WeakPolarHBondContact O-CA 3.29Å; L551-G576 PolarHBondContact N-O 3.15Å; L551-G576 PolarHBondContact O-N 2.91Å; L551-F578 HydrophobicContact CD1-CD2 4.26Å; L551-F578 HydrophobicContact CD1-CE2 3.63Å; L551-F578 HydrophobicContact CG-CD2 4.49Å; L551-F578 HydrophobicContact CG-CE2 4.33Å |
| 552 | I | 67.4 | Low | 60.3 | Low | 80 Ų | 80 | 47 Ų | 47 | 41% | 0.41 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 115.6 | 176.4 | -55.3 | 174.7 | 0 | 0 | 0 | 106.9 | A498 S499 D500 C554 | A498-I552 PolarHBondContact O-N 2.96Å; A498-I552 VanDerWaalsContact O-N 3.1Å; S499-I552 WeakPolarHBondContact CA-O 3.43Å; D500-I552 PolarHBondContact N-O 2.97Å; I552-C554 PolarHBondContact O-N 3.27Å |
| 553 | H | 65.3 | Low | 59.8 | Low | 116 Ų | 116 | 52.4 Ų | 52.4 | 54% | 0.537 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.4 | 30.5 | -179.3 | -55.9 | 129.1 | 0 | 0 | 0 | 115.6 | D500 S575 | D500-H553 WeakPolarHBondContact OD1-CB 3.5Å; H553-S575 PolarHBondContact N-OG 3.06Å |
| 554 | C | 66 | Low | 59.6 | Low | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 147 | -178.4 | -65 | 0 | 0 | 0 | 0 | 111.7 | F501 L503 L551 I552 K573 V574 | F501-C554 CarbonylContact O-C 3.58Å; F501-C554 WeakPolarHBondContact O-CA 3.35Å; F501-C554 WeakPolarHBondContact O-CB 3.42Å; L503-C554 HydrophobicContact CD1-CB 4.21Å; L551-C554 HydrophobicContact CB-CB 4.12Å; L551-C554 HydrophobicContact CD1-CB 4.49Å; L551-C554 HydrophobicContact CD2-CB 4.36Å; I552-C554 PolarHBondContact O-N 3.27Å; C554-K573 CarbonylContact O-C 3.56Å; C554-K573 WeakPolarHBondContact O-CA 3.29Å; C554-V574 PolarHBondContact N-O 3.08Å; C554-V574 VanDerWaalsContact N-O 3.09Å; C554-V574 PolarHBondContact O-N 3.03Å |
| 555 | Q | 64.6 | Low | 58.7 | Low | 50 Ų | 50 | 53.5 Ų | 53.5 | 23% | 0.234 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 114.4 | 174.3 | -68.9 | -177.1 | -9.8 | 0 | 0 | 109.7 | F501 R502 L503 A572 F599 | F501-Q555 PolarHBondContact O-N 3.23Å; R502-Q555 CarbonylContact C-O 3.44Å; R502-Q555 WeakPolarHBondContact CA-O 3.46Å; R502-Q555 HydrophobicContact CG-CB 3.95Å; L503-Q555 PolarHBondContact N-O 3.39Å; Q555-A572 CarbonylContact C-O 3.53Å; Q555-A572 WeakPolarHBondContact CA-O 3.16Å; Q555-F599 HydrophobicContact CG-CZ 4.37Å |
| 556 | L | 63.4 | Low | 58 | Low | 39 Ų | 39 | 54 Ų | 54 | 20% | 0.204 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 116.5 | 173.5 | -172.7 | 75.6 | 0 | 0 | 0 | 109.9 | L503 C505 I558 L571 A572 V574 | L503-L556 HydrophobicContact CB-CD1 3.98Å; L503-L556 CarbonylContact O-C 3.51Å; L503-L556 WeakPolarHBondContact O-CA 3.39Å; C505-L556 HydrophobicContact CB-CD1 3.69Å; C505-L556 HydrophobicContact CB-CG 4.29Å; L556-I558 HydrophobicContact CD2-CD1 4.24Å; L556-I558 HydrophobicContact CD2-CG1 4.08Å; L556-I558 HydrophobicContact CG-CG1 4.25Å; L556-L571 CarbonylContact O-C 3.57Å; L556-L571 WeakPolarHBondContact O-CA 3.37Å; L556-A572 HydrophobicContact CB-CB 4.27Å; L556-A572 PolarHBondContact N-O 2.89Å; L556-A572 PolarHBondContact O-N 3.23Å; L556-V574 HydrophobicContact CB-CG2 3.61Å; L556-V574 HydrophobicContact CD2-CG2 3.99Å; L556-V574 HydrophobicContact CG-CG2 4.39Å |
| 557 | H | 61.2 | Low | 57.2 | Low | 18 Ų | 18 | 51.9 Ų | 51.9 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 111.2 | 172.2 | -68.2 | -131.6 | 0 | 0 | 0 | 108.8 | R502 L503 I504 C505 I570 L571 | R502-H557 WeakPolarHBondContact CD-NE2 3.4Å; L503-H557 PolarHBondContact O-N 2.95Å; I504-H557 HydrophobicContact CG1-CB 4.21Å; C505-H557 PolarHBondContact N-O 3.49Å; H557-I570 WeakPolarHBondContact CA-O 3.26Å; H557-L571 HydrophobicContact CB-CD2 4.12Å; H557-L571 WeakPolarHBondContact CD2-CD2 3.32Å; H557-L571 WeakPolarHBondContact CE1-CD2 3.5Å; H557-L571 WeakPolarHBondContact ND1-CD2 3.36Å; H557-L571 WeakPolarHBondContact NE2-CD2 3.46Å |
| 558 | I | 60.4 | Low | 56.9 | Low | 57 Ų | 57 | 52.3 Ų | 52.3 | 29% | 0.292 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 100.4 | 173.1 | -52.1 | 172.9 | 0 | 0 | 0 | 106.6 | L556 T569 I570 F671 | L556-I558 HydrophobicContact CD2-CD1 4.24Å; L556-I558 HydrophobicContact CD2-CG1 4.08Å; L556-I558 HydrophobicContact CG-CG1 4.25Å; I558-T569 WeakPolarHBondContact O-CA 3.46Å; I558-I570 HydrophobicContact CB-CB 4.48Å; I558-I570 PolarHBondContact N-O 3Å; I558-I570 PolarHBondContact O-N 3.07Å; I558-F671 HydrophobicContact CG2-CZ 4.06Å |
| 559 | A | 55.6 | Low | 56.4 | Low | 11 Ų | 11 | 50.4 Ų | 50.4 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 138.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T569 | A559-T569 HydrophobicContact CB-CG2 3.52Å |
| 560 | G | 51.7 | Low | 56.4 | Low | 21 Ų | 21 | 47 Ų | 47 | 22% | 0.216 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -69.4 | -33.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A568 | G560-A568 PolarHBondContact N-O 2.85Š|
| 561 | N | 46.4 | Very low | 56.1 | Low | 37 Ų | 37 | 45.8 Ų | 45.8 | 20% | 0.198 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -132.7 | 148.4 | -177.7 | -144.6 | -23.3 | 0 | 0 | 0 | 111.6 | L563 S567 E678 | N561-L563 VanDerWaalsContact C-N 3.33Å; N561-L563 PolarHBondContact O-N 3.44Å; N561-S567 PolarHBondContact O-OG 3.31Å; N561-E678 PolarHBondContact ND2-OE1 3.32Å; N561-E678 PolarHBondContact ND2-OE2 3.41Å |
| 562 | S | 44.4 | Very low | 56 | Low | 48 Ų | 48 | 44.9 Ų | 44.9 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -79.1 | 0.4 | -160 | 65.7 | 0 | 0 | 0 | 0 | 116.6 | ||
| 563 | L | 38.7 | Very low | 56 | Low | 159 Ų | 159 | 45.5 Ų | 45.5 | 83% | 0.832 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -168.5 | 2.8 | 175.7 | -101.1 | 141 | 0 | 0 | 0 | 116.5 | N561 | N561-L563 VanDerWaalsContact C-N 3.33Å; N561-L563 PolarHBondContact O-N 3.44Å |
| 564 | D | 44.6 | Very low | 55.9 | Low | 101 Ų | 101 | 40.2 Ų | 40.2 | 54% | 0.54 | 23% | 0.233 | S | C | . | . | trans | -86.5 | 122.8 | 178.1 | -104.6 | -17.3 | 0 | 0 | 0 | 111.2 | S566 S567 | D564-S566 PolarHBondContact O-N 3Å; D564-S567 PolarHBondContact O-N 3.19Å; D564-S567 PolarHBondContact O-OG 3.05Å | ||
| 565 | S | 41.1 | Very low | 56 | Low | 105 Ų | 105 | 41.3 Ų | 41.3 | 73% | 0.734 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -11.5 | 173.3 | 61.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 566 | S | 44.8 | Very low | 56.2 | Low | 33 Ų | 33 | 39.3 Ų | 39.3 | 23% | 0.231 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -8.7 | 171.7 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | D564 Y604 | D564-S566 PolarHBondContact O-N 3Å; S566-Y604 CarbonylContact O-C 3.43Å; S566-Y604 WeakPolarHBondContact O-CA 3.45Å; S566-Y604 VanDerWaalsContact O-CB 3.29Å; S566-Y604 WeakPolarHBondContact O-CB 3.33Å; S566-Y604 WeakPolarHBondContact O-CD2 3.48Å; S566-Y604 WeakPolarHBondContact O-CE2 3.35Å; S566-Y604 VanDerWaalsContact O-O 3.13Å |
| 567 | S | 48.4 | Very low | 56.4 | Low | 16 Ų | 16 | 37.9 Ų | 37.9 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -77.6 | 136.4 | -179.2 | 64.5 | 0 | 0 | 0 | 0 | 112.4 | N561 D564 T569 | N561-S567 PolarHBondContact O-OG 3.31Å; D564-S567 PolarHBondContact O-N 3.19Å; D564-S567 PolarHBondContact O-OG 3.05Å; S567-T569 PolarHBondContact O-N 3.49Å |
| 568 | A | 55.4 | Low | 56.4 | Low | 21 Ų | 21 | 40 Ų | 40 | 17% | 0.174 | 24% | 0.236 | C | C | . | . | trans | -62 | 131.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G560 R602 F671 | G560-A568 PolarHBondContact N-O 2.85Å; A568-R602 VanDerWaalsContact CA-O 3.26Å; A568-R602 WeakPolarHBondContact CA-O 3.44Å; A568-F671 HydrophobicContact CB-CD2 4Å; A568-F671 HydrophobicContact CB-CE2 4.38Å | ||
| 569 | T | 60 | Low | 56.6 | Low | 23 Ų | 23 | 42.5 Ų | 42.5 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.7 | 179.5 | 27.5 | 0 | 0 | 0 | 0 | 110.8 | I558 A559 S567 C601 R602 | I558-T569 WeakPolarHBondContact O-CA 3.46Å; A559-T569 HydrophobicContact CB-CG2 3.52Å; S567-T569 PolarHBondContact O-N 3.49Å; T569-C601 WeakPolarHBondContact O-CA 3.48Å; T569-R602 PolarHBondContact N-O 2.84Å; T569-R602 PolarHBondContact O-N 2.76Å; T569-R602 WeakPolarHBondContact OG1-CB 3.48Å |
| 570 | I | 64.8 | Low | 57 | Low | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130 | 169.9 | -63 | 177.9 | 0 | 0 | 0 | 109 | H557 I558 L598 L668 F671 | H557-I570 WeakPolarHBondContact CA-O 3.26Å; I558-I570 HydrophobicContact CB-CB 4.48Å; I558-I570 PolarHBondContact N-O 3Å; I558-I570 PolarHBondContact O-N 3.07Å; I570-L598 HydrophobicContact CG2-CD2 3.52Å; I570-L668 HydrophobicContact CD1-CD2 3.85Å; I570-F671 HydrophobicContact CD1-CB 4.21Å; I570-F671 HydrophobicContact CD1-CD1 3.44Å; I570-F671 VanDerWaalsContact CD1-CD1 3.44Å; I570-F671 HydrophobicContact CD1-CD2 3.69Å; I570-F671 HydrophobicContact CD1-CE1 3.59Å; I570-F671 HydrophobicContact CD1-CE2 3.83Å; I570-F671 HydrophobicContact CD1-CG 3.49Å; I570-F671 VanDerWaalsContact CD1-CG 3.49Å; I570-F671 HydrophobicContact CD1-CZ 3.78Å; I570-F671 HydrophobicContact CG1-CD1 4.39Å; I570-F671 HydrophobicContact CG1-CD2 3.79Å; I570-F671 HydrophobicContact CG1-CE1 4.34Å; I570-F671 HydrophobicContact CG1-CE2 3.72Å; I570-F671 HydrophobicContact CG1-CG 4.13Å; I570-F671 HydrophobicContact CG1-CZ 4Å |
| 571 | L | 66.1 | Low | 57.5 | Low | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 124.6 | 178.4 | -60.5 | 172 | 0 | 0 | 0 | 110 | L556 H557 F599 E600 | L556-L571 CarbonylContact O-C 3.57Å; L556-L571 WeakPolarHBondContact O-CA 3.37Å; H557-L571 HydrophobicContact CB-CD2 4.12Å; H557-L571 WeakPolarHBondContact CD2-CD2 3.32Å; H557-L571 WeakPolarHBondContact CE1-CD2 3.5Å; H557-L571 WeakPolarHBondContact ND1-CD2 3.36Å; H557-L571 WeakPolarHBondContact NE2-CD2 3.46Å; L571-F599 HydrophobicContact CB-CE1 3.97Å; L571-F599 HydrophobicContact CB-CE2 4.28Å; L571-F599 HydrophobicContact CB-CZ 3.78Å; L571-F599 WeakPolarHBondContact O-CD1 3.4Å; L571-F599 PolarHBondContact O-N 3.46Å; L571-F599 VanDerWaalsContact O-N 3.08Å; L571-E600 HydrophobicContact CB-CB 3.93Å; L571-E600 HydrophobicContact CD1-CB 3.68Å; L571-E600 HydrophobicContact CD1-CG 4.49Å; L571-E600 WeakPolarHBondContact CD1-OE2 3.37Å; L571-E600 HydrophobicContact CG-CB 4.2Å; L571-E600 PolarHBondContact N-O 2.91Å; L571-E600 PolarHBondContact O-N 3.33Å |
| 572 | A | 65.6 | Low | 58.1 | Low | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 140.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q555 L556 V574 V596 Q597 L598 F599 | Q555-A572 CarbonylContact C-O 3.53Å; Q555-A572 WeakPolarHBondContact CA-O 3.16Å; L556-A572 HydrophobicContact CB-CB 4.27Å; L556-A572 PolarHBondContact N-O 2.89Å; L556-A572 PolarHBondContact O-N 3.23Å; A572-V574 HydrophobicContact CB-CG2 4.21Å; A572-V596 HydrophobicContact CB-CG1 3.67Å; A572-Q597 CarbonylContact C-O 3.6Å; A572-Q597 WeakPolarHBondContact CA-O 3.3Å; A572-L598 HydrophobicContact CB-CD2 3.78Å; A572-F599 VanDerWaalsContact C-CE1 3.49Å |
| 573 | K | 68 | Low | 58.8 | Low | 94 Ų | 94 | 41 Ų | 41 | 41% | 0.409 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 122.2 | 164.3 | -90.1 | -178.8 | -179 | -177.6 | 0 | 107.7 | C554 V596 Q597 F599 | C554-K573 CarbonylContact O-C 3.56Å; C554-K573 WeakPolarHBondContact O-CA 3.29Å; K573-V596 CarbonylContact O-C 3.57Å; K573-V596 WeakPolarHBondContact O-CA 3.43Å; K573-Q597 HydrophobicContact CB-CB 4.39Å; K573-Q597 PolarHBondContact N-O 2.88Å; K573-Q597 PolarHBondContact O-N 3.06Å; K573-F599 HydrophobicContact CB-CD1 4.28Å; K573-F599 HydrophobicContact CB-CE1 4.22Å; K573-F599 HydrophobicContact CG-CD1 4.04Å; K573-F599 HydrophobicContact CG-CE1 3.69Å; K573-F599 HydrophobicContact CG-CZ 4.39Å |
| 574 | V | 63 | Low | 59.9 | Low | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.3 | -176.6 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | C554 L556 A572 L593 V596 | C554-V574 PolarHBondContact N-O 3.08Å; C554-V574 VanDerWaalsContact N-O 3.09Å; C554-V574 PolarHBondContact O-N 3.03Å; L556-V574 HydrophobicContact CB-CG2 3.61Å; L556-V574 HydrophobicContact CD2-CG2 3.99Å; L556-V574 HydrophobicContact CG-CG2 4.39Å; A572-V574 HydrophobicContact CB-CG2 4.21Å; V574-L593 HydrophobicContact CG1-CD2 3.4Å; V574-V596 HydrophobicContact CG1-CG2 4.29Å; V574-V596 HydrophobicContact CG2-CG1 4.11Å; V574-V596 HydrophobicContact CG2-CG2 4.15Å |
| 575 | S | 67.1 | Low | 60.2 | Low | 24 Ų | 24 | 40.2 Ų | 40.2 | 17% | 0.168 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.8 | 162.6 | -58.2 | 0 | 0 | 0 | 0 | 108.6 | L551 H553 D594 S595 | L551-S575 WeakPolarHBondContact O-CA 3.29Å; H553-S575 PolarHBondContact N-OG 3.06Å; S575-D594 PolarHBondContact O-N 3.2Å; S575-S595 PolarHBondContact N-O 3.37Å; S575-S595 PolarHBondContact O-N 3.49Å |
| 576 | G | 69.9 | Low | 60.8 | Low | 7 Ų | 7 | 38.1 Ų | 38.1 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171 | -175.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L551 L592 | L551-G576 PolarHBondContact N-O 3.15Å; L551-G576 PolarHBondContact O-N 2.91Å; G576-L592 CarbonylContact C-O 3.52Å; G576-L592 WeakPolarHBondContact CA-O 3.49Å |
| 577 | S | 67.9 | Low | 61.1 | Low | 10 Ų | 10 | 38.2 Ų | 38.2 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 135.9 | 176.7 | 67.6 | 0 | 0 | 0 | 0 | 111.7 | F549 N550 L592 | F549-S577 CarbonylContact O-C 3.54Å; F549-S577 VanDerWaalsContact O-CA 3.29Å; F549-S577 WeakPolarHBondContact O-CA 3.4Å; N550-S577 VanDerWaalsContact OD1-CB 3.26Å; N550-S577 WeakPolarHBondContact OD1-CB 3.49Å; S577-L592 PolarHBondContact N-O 3.2Å; S577-L592 PolarHBondContact O-N 3.29Å |
| 578 | F | 61.7 | Low | 61.5 | Low | 63 Ų | 63 | 39.8 Ų | 39.8 | 28% | 0.276 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.5 | 166.4 | -65 | -84.9 | 0 | 0 | 0 | 108.3 | W509 K548 F549 L551 A591 | W509-F578 HydrophobicContact CZ2-CE1 4.44Å; K548-F578 CarbonylContact C-O 3.6Å; K548-F578 WeakPolarHBondContact CA-O 3.32Å; F549-F578 HydrophobicContact CB-CB 4.3Å; F549-F578 PolarHBondContact N-O 3.43Å; F549-F578 PolarHBondContact O-N 3.43Å; L551-F578 HydrophobicContact CD1-CD2 4.26Å; L551-F578 HydrophobicContact CD1-CE2 3.63Å; L551-F578 HydrophobicContact CG-CD2 4.49Å; L551-F578 HydrophobicContact CG-CE2 4.33Å; F578-A591 HydrophobicContact CD1-CB 3.77Å; F578-A591 HydrophobicContact CE1-CB 3.71Å |
| 579 | R | 63.7 | Low | 61.3 | Low | 108 Ų | 108 | 41.1 Ų | 41.1 | 41% | 0.408 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 113.7 | 178 | -63.5 | -178.9 | -168.3 | -176.5 | 3.5 | 108.9 | C547 K548 N590 | C547-R579 CarbonylContact O-C 3.6Å; C547-R579 WeakPolarHBondContact O-CA 3.41Å; K548-R579 HydrophobicContact CG-CG 4.11Å; R579-N590 HydrophobicContact CB-CB 4.41Å; R579-N590 PolarHBondContact N-O 3.13Å; R579-N590 PolarHBondContact O-N 3.31Å |
| 580 | G | 63 | Low | 61.2 | Low | 6 Ų | 6 | 43.1 Ų | 43.1 | 6% | 0.062 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | C547 T588 | C547-G580 PolarHBondContact N-O 3.41Å; C547-G580 PolarHBondContact O-N 3.33Å; G580-T588 WeakPolarHBondContact CA-O 3.49Å |
| 581 | A | 63.5 | Low | 60.8 | Low | 14 Ų | 14 | 44.1 Ų | 44.1 | 12% | 0.116 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V545 M546 V587 T588 | V545-A581 CarbonylContact O-C 3.59Å; V545-A581 VanDerWaalsContact O-CA 3.32Å; V545-A581 WeakPolarHBondContact O-CA 3.44Å; M546-A581 HydrophobicContact CE-CB 4.18Å; M546-A581 HydrophobicContact SD-CB 3.32Å; M546-A581 WeakPolarHBondContact SD-CB 3.48Å; A581-V587 WeakPolarHBondContact O-CA 3.49Å; A581-T588 WeakPolarHBondContact CB-OG1 3.29Å; A581-T588 PolarHBondContact N-O 2.75Å; A581-T588 PolarHBondContact O-N 3.37Å; A581-T588 PolarHBondContact O-OG1 2.96Å |
| 582 | C | 59.1 | Low | 60.5 | Low | 10 Ų | 10 | 46.2 Ų | 46.2 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 117.1 | 166.5 | -172.2 | 0 | 0 | 0 | 0 | 108.3 | K544 V545 V586 | K544-C582 WeakPolarHBondContact CA-O 3.47Å; V545-C582 HydrophobicContact CB-CB 4.36Å; V545-C582 PolarHBondContact N-O 3.28Å; V545-C582 PolarHBondContact O-N 3.32Å; C582-V586 WeakPolarHBondContact CA-O 3.47Å |
| 583 | V | 59.4 | Low | 60.2 | Low | 55 Ų | 55 | 48 Ų | 48 | 33% | 0.333 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 117.6 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | K544 D585 V586 | K544-V583 HydrophobicContact CD-CG2 3.79Å; K544-V583 HydrophobicContact CG-CG2 3.8Å; V583-D585 VanDerWaalsContact C-N 3.34Å; V583-D585 PolarHBondContact O-N 3.34Å; V583-V586 PolarHBondContact N-O 3.48Å; V583-V586 WeakPolarHBondContact O-CB 3.48Å; V583-V586 PolarHBondContact O-N 2.86Å |
| 584 | N | 61.2 | Low | 59.8 | Low | 115 Ų | 115 | 48.9 Ų | 48.9 | 62% | 0.615 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 50.9 | 177.9 | -56.9 | -20.1 | 0 | 0 | 0 | 112.7 | V586 | N584-V586 PolarHBondContact O-N 3.4Å; N584-V586 VanDerWaalsContact O-N 3.09Å |
| 585 | D | 51.7 | Low | 59.6 | Low | 129 Ų | 129 | 50.5 Ų | 50.5 | 69% | 0.69 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 9.7 | -177.9 | -57 | -39.9 | 0 | 0 | 0 | 116.1 | V583 | V583-D585 VanDerWaalsContact C-N 3.34Å; V583-D585 PolarHBondContact O-N 3.34Å |
| 586 | V | 53.1 | Low | 59.3 | Low | 62 Ų | 62 | 50.2 Ų | 50.2 | 38% | 0.376 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 111.6 | 169.8 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | C582 V583 N584 T588 | C582-V586 WeakPolarHBondContact CA-O 3.47Å; V583-V586 PolarHBondContact N-O 3.48Å; V583-V586 WeakPolarHBondContact O-CB 3.48Å; V583-V586 PolarHBondContact O-N 2.86Å; N584-V586 PolarHBondContact O-N 3.4Å; N584-V586 VanDerWaalsContact O-N 3.09Å; V586-T588 HydrophobicContact CG1-CG2 4.39Å |
| 587 | V | 51.3 | Low | 58.8 | Low | 34 Ų | 34 | 54.6 Ų | 54.6 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 124.3 | 172.6 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | A581 L589 | A581-V587 WeakPolarHBondContact O-CA 3.49Å; V587-L589 HydrophobicContact CG1-CD2 4.49Å; V587-L589 HydrophobicContact CG1-CG 4.22Å |
| 588 | T | 55.8 | Low | 58.7 | Low | 50 Ų | 50 | 55.4 Ų | 55.4 | 31% | 0.307 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 132.5 | 169.4 | 51.8 | 0 | 0 | 0 | 0 | 108.9 | G580 A581 V586 | G580-T588 WeakPolarHBondContact CA-O 3.49Å; A581-T588 WeakPolarHBondContact CB-OG1 3.29Å; A581-T588 PolarHBondContact N-O 2.75Å; A581-T588 PolarHBondContact O-N 3.37Å; A581-T588 PolarHBondContact O-OG1 2.96Å; V586-T588 HydrophobicContact CG1-CG2 4.39Å |
| 589 | L | 51.6 | Low | 58.7 | Low | 48 Ų | 48 | 54.3 Ų | 54.3 | 25% | 0.251 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 104.6 | 178.3 | -67.4 | 170.2 | 0 | 0 | 0 | 108 | F513 N514 V587 | F513-L589 HydrophobicContact CD1-CD2 4.41Å; F513-L589 HydrophobicContact CE1-CD2 3.79Å; N514-L589 VanDerWaalsContact OD1-CD1 3.29Å; N514-L589 WeakPolarHBondContact OD1-CD1 3.44Å; V587-L589 HydrophobicContact CG1-CD2 4.49Å; V587-L589 HydrophobicContact CG1-CG 4.22Å |
| 590 | N | 57.9 | Low | 58.9 | Low | 66 Ų | 66 | 51 Ų | 51 | 35% | 0.353 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 111.6 | 175.9 | -62.9 | -5.8 | 0 | 0 | 0 | 108 | R579 | R579-N590 HydrophobicContact CB-CB 4.41Å; R579-N590 PolarHBondContact N-O 3.13Å; R579-N590 PolarHBondContact O-N 3.31Å |
| 591 | A | 56.4 | Low | 59 | Low | 25 Ų | 25 | 51 Ų | 51 | 21% | 0.207 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 130.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | F578 | F578-A591 HydrophobicContact CD1-CB 3.77Å; F578-A591 HydrophobicContact CE1-CB 3.71Å |
| 592 | L | 60.3 | Low | 58.9 | Low | 47 Ų | 47 | 53.6 Ų | 53.6 | 25% | 0.246 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 108.2 | 169.4 | -74.6 | 163.7 | 0 | 0 | 0 | 106.3 | G576 S577 T622 | G576-L592 CarbonylContact C-O 3.52Å; G576-L592 WeakPolarHBondContact CA-O 3.49Å; S577-L592 PolarHBondContact N-O 3.2Å; S577-L592 PolarHBondContact O-N 3.29Å; L592-T622 HydrophobicContact CD2-CG2 3.61Å |
| 593 | L | 59.3 | Low | 58.7 | Low | 38 Ų | 38 | 54.2 Ų | 54.2 | 20% | 0.199 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.7 | 173.9 | -67 | 166.5 | 0 | 0 | 0 | 107.5 | V574 V596 | V574-L593 HydrophobicContact CG1-CD2 3.4Å; L593-V596 HydrophobicContact CB-CG2 4.32Å; L593-V596 HydrophobicContact CD1-CG2 4.12Å; L593-V596 HydrophobicContact CD2-CG2 4.17Å; L593-V596 HydrophobicContact CG-CG2 4.45Å |
| 594 | D | 60.2 | Low | 58.4 | Low | 111 Ų | 111 | 58.2 Ų | 58.2 | 59% | 0.594 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -33.4 | 178.4 | -64.1 | -36.7 | 0 | 0 | 0 | 110.4 | S575 | S575-D594 PolarHBondContact O-N 3.2Å |
| 595 | S | 58.5 | Low | 57.8 | Low | 38 Ų | 38 | 60.4 Ų | 60.4 | 27% | 0.266 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 144 | 173.3 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | S575 | S575-S595 PolarHBondContact N-O 3.37Å; S575-S595 PolarHBondContact O-N 3.49Å |
| 596 | V | 58.9 | Low | 57.6 | Low | 19 Ų | 19 | 57.4 Ų | 57.4 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 103 | 169.9 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | A572 K573 V574 L593 F617 | A572-V596 HydrophobicContact CB-CG1 3.67Å; K573-V596 CarbonylContact O-C 3.57Å; K573-V596 WeakPolarHBondContact O-CA 3.43Å; V574-V596 HydrophobicContact CG1-CG2 4.29Å; V574-V596 HydrophobicContact CG2-CG1 4.11Å; V574-V596 HydrophobicContact CG2-CG2 4.15Å; L593-V596 HydrophobicContact CB-CG2 4.32Å; L593-V596 HydrophobicContact CD1-CG2 4.12Å; L593-V596 HydrophobicContact CD2-CG2 4.17Å; L593-V596 HydrophobicContact CG-CG2 4.45Å; V596-F617 CarbonylContact C-O 3.51Å; V596-F617 HydrophobicContact CB-CD1 3.58Å; V596-F617 HydrophobicContact CB-CE1 3.84Å; V596-F617 HydrophobicContact CG1-CD1 4.33Å; V596-F617 HydrophobicContact CG2-CD1 4.33Å; V596-F617 HydrophobicContact CG2-CE1 4.13Å; V596-F617 PolarHBondContact N-O 3.43Å; V596-F617 CarbonylContact O-C 3.54Å; V596-F617 WeakPolarHBondContact O-CB 3.4Å; V596-F617 WeakPolarHBondContact O-CD1 3.5Å |
| 597 | Q | 60.6 | Low | 57.3 | Low | 99 Ų | 99 | 57.5 Ų | 57.5 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 110.8 | 176.4 | -67.6 | 179 | -7.5 | 0 | 0 | 109 | A572 K573 F599 | A572-Q597 CarbonylContact C-O 3.6Å; A572-Q597 WeakPolarHBondContact CA-O 3.3Å; K573-Q597 HydrophobicContact CB-CB 4.39Å; K573-Q597 PolarHBondContact N-O 2.88Å; K573-Q597 PolarHBondContact O-N 3.06Å; Q597-F599 WeakPolarHBondContact O-CD1 3.13Å; Q597-F599 PolarHBondContact O-N 3.28Å |
| 598 | L | 65.1 | Low | 57.2 | Low | 27 Ų | 27 | 60.2 Ų | 60.2 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 114.9 | 168.9 | -61.7 | 167.3 | 0 | 0 | 0 | 107.2 | I570 A572 | I570-L598 HydrophobicContact CG2-CD2 3.52Å; A572-L598 HydrophobicContact CB-CD2 3.78Å |
| 599 | F | 62.7 | Low | 56.8 | Low | 40 Ų | 40 | 62.6 Ų | 62.6 | 18% | 0.175 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | -25.2 | -174.4 | 65.9 | -82.3 | 0 | 0 | 0 | 113.3 | Q555 L571 A572 K573 Q597 Q612 I613 | Q555-F599 HydrophobicContact CG-CZ 4.37Å; L571-F599 HydrophobicContact CB-CE1 3.97Å; L571-F599 HydrophobicContact CB-CE2 4.28Å; L571-F599 HydrophobicContact CB-CZ 3.78Å; L571-F599 WeakPolarHBondContact O-CD1 3.4Å; L571-F599 PolarHBondContact O-N 3.46Å; L571-F599 VanDerWaalsContact O-N 3.08Å; A572-F599 VanDerWaalsContact C-CE1 3.49Å; K573-F599 HydrophobicContact CB-CD1 4.28Å; K573-F599 HydrophobicContact CB-CE1 4.22Å; K573-F599 HydrophobicContact CG-CD1 4.04Å; K573-F599 HydrophobicContact CG-CE1 3.69Å; K573-F599 HydrophobicContact CG-CZ 4.39Å; Q597-F599 WeakPolarHBondContact O-CD1 3.13Å; Q597-F599 PolarHBondContact O-N 3.28Å; F599-Q612 CarbonylContact O-C 3.56Å; F599-Q612 VanDerWaalsContact O-CA 3.23Å; F599-Q612 WeakPolarHBondContact O-CA 3.48Å; F599-I613 PolarHBondContact O-N 2.81Å |
| 600 | E | 68.3 | Low | 56.9 | Low | 39 Ų | 39 | 63.8 Ų | 63.8 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 142.4 | -178.3 | -72.9 | 170.4 | -159.9 | 0 | 0 | 112.4 | L571 V610 I611 | L571-E600 HydrophobicContact CB-CB 3.93Å; L571-E600 HydrophobicContact CD1-CB 3.68Å; L571-E600 HydrophobicContact CD1-CG 4.49Å; L571-E600 WeakPolarHBondContact CD1-OE2 3.37Å; L571-E600 HydrophobicContact CG-CB 4.2Å; L571-E600 PolarHBondContact N-O 2.91Å; L571-E600 PolarHBondContact O-N 3.33Å; E600-V610 HydrophobicContact CB-CG1 4.01Å; E600-V610 HydrophobicContact CG-CG1 3.31Å; E600-V610 WeakPolarHBondContact OE2-CG1 3.5Å; E600-I611 CarbonylContact C-O 3.58Å; E600-I611 VanDerWaalsContact CA-O 3.29Å; E600-I611 WeakPolarHBondContact CA-O 3.44Å |
| 601 | C | 64.3 | Low | 56.9 | Low | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.3 | 165.7 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | T569 I611 I613 I667 | T569-C601 WeakPolarHBondContact O-CA 3.48Å; C601-I611 PolarHBondContact N-O 2.83Å; C601-I611 WeakPolarHBondContact O-CB 3.38Å; C601-I611 PolarHBondContact O-N 3.07Å; C601-I613 HydrophobicContact CB-CD1 3.76Å; C601-I613 HydrophobicContact CB-CG1 4.27Å; C601-I667 HydrophobicContact CB-CG2 4.07Å |
| 602 | R | 62.2 | Low | 57.1 | Low | 67 Ų | 67 | 66.6 Ų | 66.6 | 25% | 0.253 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 112.6 | 174.2 | -66.1 | -176.7 | -174 | 175.6 | 0.5 | 108.7 | A568 T569 | A568-R602 VanDerWaalsContact CA-O 3.26Å; A568-R602 WeakPolarHBondContact CA-O 3.44Å; T569-R602 PolarHBondContact N-O 2.84Å; T569-R602 PolarHBondContact O-N 2.76Å; T569-R602 WeakPolarHBondContact OG1-CB 3.48Å |
| 603 | P | 54.8 | Low | 57.1 | Low | 24 Ų | 24 | 64.7 Ų | 64.7 | 16% | 0.156 | 33% | 0.33 | C | S | . | . | trans | -75.9 | 153.6 | -174.9 | 26.9 | -29.5 | 0 | 0 | 0 | 112.7 | L605 D606 R609 I611 F819 | P603-L605 VanDerWaalsContact C-N 3.27Å; P603-L605 PolarHBondContact O-N 2.96Å; P603-D606 PolarHBondContact O-N 2.73Å; P603-R609 WeakPolarHBondContact CD-O 3.37Å; P603-I611 HydrophobicContact CG-CD1 4.06Å; P603-F819 HydrophobicContact CB-CE1 4.48Å; P603-F819 HydrophobicContact CB-CZ 4.48Å; P603-F819 HydrophobicContact CG-CE1 3.83Å; P603-F819 HydrophobicContact CG-CZ 4.23Å | ||
| 604 | Y | 52.5 | Low | 57.1 | Low | 138 Ų | 138 | 67.2 Ų | 67.2 | 54% | 0.541 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -36.5 | -175.5 | 174.6 | -80.7 | 0 | 0 | 0 | 114.5 | S566 | S566-Y604 CarbonylContact O-C 3.43Å; S566-Y604 WeakPolarHBondContact O-CA 3.45Å; S566-Y604 VanDerWaalsContact O-CB 3.29Å; S566-Y604 WeakPolarHBondContact O-CB 3.33Å; S566-Y604 WeakPolarHBondContact O-CD2 3.48Å; S566-Y604 WeakPolarHBondContact O-CE2 3.35Å; S566-Y604 VanDerWaalsContact O-O 3.13Å |
| 605 | L | 49.2 | Very low | 56.9 | Low | 162 Ų | 162 | 62.2 Ų | 62.2 | 85% | 0.848 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -22.3 | -170 | -73.2 | 163.6 | 0 | 0 | 0 | 114.2 | P603 | P603-L605 VanDerWaalsContact C-N 3.27Å; P603-L605 PolarHBondContact O-N 2.96Å |
| 606 | D | 46.5 | Very low | 56.5 | Low | 65 Ų | 65 | 63 Ų | 63 | 35% | 0.348 | 33% | 0.334 | S | S | . | . | trans | -159.5 | 95.4 | -179.7 | -172.1 | -3.2 | 0 | 0 | 0 | 111.4 | P603 S608 R609 | P603-D606 PolarHBondContact O-N 2.73Å; D606-S608 PolarHBondContact O-N 2.79Å; D606-S608 VanDerWaalsContact O-N 3.09Å; D606-S608 WeakPolarHBondContact OD1-CB 3.37Å; D606-S608 PolarHBondContact OD1-N 2.8Å; D606-S608 VanDerWaalsContact OD1-N 3.13Å; D606-S608 PolarHBondContact OD1-OG 2.77Å; D606-S608 PolarHBondContact OD2-OG 2.91Å; D606-R609 PolarHBondContact O-N 2.94Å | ||
| 607 | P | 46 | Very low | 55.9 | Low | 64 Ų | 64 | 64 Ų | 64 | 42% | 0.416 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -6.6 | -178.6 | 25.2 | -33 | 0 | 0 | 0 | 114.2 | R609 | P607-R609 PolarHBondContact O-N 3.08Š|
| 608 | S | 49.2 | Very low | 55.3 | Low | 92 Ų | 92 | 62.4 Ų | 62.4 | 64% | 0.643 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -15.5 | 174.9 | 73.4 | 0 | 0 | 0 | 0 | 113.3 | D606 | D606-S608 PolarHBondContact O-N 2.79Å; D606-S608 VanDerWaalsContact O-N 3.09Å; D606-S608 WeakPolarHBondContact OD1-CB 3.37Å; D606-S608 PolarHBondContact OD1-N 2.8Å; D606-S608 VanDerWaalsContact OD1-N 3.13Å; D606-S608 PolarHBondContact OD1-OG 2.77Å; D606-S608 PolarHBondContact OD2-OG 2.91Å |
| 609 | R | 47.3 | Very low | 54.5 | Low | 100 Ų | 100 | 61.2 Ų | 61.2 | 38% | 0.377 | 33% | 0.33 | S | S | . | . | trans | -96.8 | 125.5 | -179.8 | -74.4 | -178.6 | 170.4 | -174.4 | -14.1 | 112.1 | P603 D606 P607 F819 | P603-R609 WeakPolarHBondContact CD-O 3.37Å; D606-R609 PolarHBondContact O-N 2.94Å; P607-R609 PolarHBondContact O-N 3.08Å; R609-F819 VanDerWaalsContact NH1-C 3.26Å; R609-F819 PolarHBondContact NH1-O 3.28Å; R609-F819 PolarHBondContact NH2-O 2.6Å | ||
| 610 | V | 53.6 | Low | 53.7 | Low | 72 Ų | 72 | 62.3 Ų | 62.3 | 44% | 0.436 | 34% | 0.34 | S | S | . | . | trans | -102.5 | 111.9 | 178.3 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | E600 | E600-V610 HydrophobicContact CB-CG1 4.01Å; E600-V610 HydrophobicContact CG-CG1 3.31Å; E600-V610 WeakPolarHBondContact OE2-CG1 3.5Å | ||
| 611 | I | 58.2 | Low | 52.7 | Low | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 113 | 175.2 | -54.1 | 177.9 | 0 | 0 | 0 | 108 | E600 C601 P603 I613 I667 I818 F819 | E600-I611 CarbonylContact C-O 3.58Å; E600-I611 VanDerWaalsContact CA-O 3.29Å; E600-I611 WeakPolarHBondContact CA-O 3.44Å; C601-I611 PolarHBondContact N-O 2.83Å; C601-I611 WeakPolarHBondContact O-CB 3.38Å; C601-I611 PolarHBondContact O-N 3.07Å; P603-I611 HydrophobicContact CG-CD1 4.06Å; I611-I613 PolarHBondContact O-N 2.82Å; I611-I667 HydrophobicContact CG2-CD1 3.89Å; I611-I818 HydrophobicContact CB-CG2 4.32Å; I611-I818 HydrophobicContact CD1-CG2 4.06Å; I611-I818 HydrophobicContact CG1-CG2 3.72Å; I611-I818 HydrophobicContact CG2-CD1 4.35Å; I611-I818 HydrophobicContact CG2-CG2 3.94Å; I611-F819 HydrophobicContact CD1-CE1 4.05Å; I611-F819 HydrophobicContact CD1-CZ 3.79Å |
| 612 | Q | 61 | Low | 51.9 | Low | 142 Ų | 142 | 65.3 Ų | 65.3 | 66% | 0.664 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 128.2 | 174.5 | -76.2 | -167.1 | -15.8 | 0 | 0 | 110.9 | F599 | F599-Q612 CarbonylContact O-C 3.56Å; F599-Q612 VanDerWaalsContact O-CA 3.23Å; F599-Q612 WeakPolarHBondContact O-CA 3.48Å |
| 613 | I | 60.4 | Low | 51.2 | Low | 8 Ų | 8 | 64.1 Ų | 64.1 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | trans | -97.6 | 130.9 | 170.6 | -59.2 | 177.6 | 0 | 0 | 0 | 107 | F599 C601 I611 N615 D664 | F599-I613 PolarHBondContact O-N 2.81Å; C601-I613 HydrophobicContact CB-CD1 3.76Å; C601-I613 HydrophobicContact CB-CG1 4.27Å; I611-I613 PolarHBondContact O-N 2.82Å; I613-N615 HydrophobicContact CG2-CB 3.82Å; I613-N615 PolarHBondContact O-N 2.98Å; I613-D664 HydrophobicContact CG2-CB 4.14Å | ||
| 614 | S | 58.5 | Low | 50.8 | Low | 91 Ų | 91 | 65.4 Ų | 65.4 | 64% | 0.636 | 37% | 0.37 | S | S | * | . | trans | -79.7 | 5.4 | -173.7 | 68.7 | 0 | 0 | 0 | 0 | 115.1 | D664 | S614-D664 PolarHBondContact OG-OD2 2.99Š| ||
| 615 | N | 55.9 | Low | 50.4 | Low | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.032 | 36% | 0.356 | C | S | . | . | trans | -84 | 127.6 | -159.8 | -162.8 | -1.2 | 0 | 0 | 0 | 113 | I613 R659 L660 | I613-N615 HydrophobicContact CG2-CB 3.82Å; I613-N615 PolarHBondContact O-N 2.98Å; N615-R659 PolarHBondContact OD1-N 3.2Å; N615-R659 PolarHBondContact OD1-O 2.87Å; N615-L660 HydrophobicContact CB-CD2 4.48Å; N615-L660 WeakPolarHBondContact ND2-CD2 3.47Å | ||
| 616 | A | 51.3 | Low | 50.2 | Low | 55 Ų | 55 | 59.9 Ų | 59.9 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | trans | -99.4 | 103.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 617 | F | 47.1 | Very low | 49.9 | Very low | 40 Ų | 40 | 60.2 Ų | 60.2 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -104.1 | 127.7 | 174.8 | 169.3 | -72.2 | 0 | 0 | 0 | 109.5 | V596 A619 L656 L658 | V596-F617 CarbonylContact C-O 3.51Å; V596-F617 HydrophobicContact CB-CD1 3.58Å; V596-F617 HydrophobicContact CB-CE1 3.84Å; V596-F617 HydrophobicContact CG1-CD1 4.33Å; V596-F617 HydrophobicContact CG2-CD1 4.33Å; V596-F617 HydrophobicContact CG2-CE1 4.13Å; V596-F617 PolarHBondContact N-O 3.43Å; V596-F617 CarbonylContact O-C 3.54Å; V596-F617 WeakPolarHBondContact O-CB 3.4Å; V596-F617 WeakPolarHBondContact O-CD1 3.5Å; F617-A619 HydrophobicContact CD1-CB 4.31Å; F617-A619 HydrophobicContact CE1-CB 3.45Å; F617-A619 VanDerWaalsContact CE1-CB 3.45Å; F617-A619 HydrophobicContact CE2-CB 4.2Å; F617-A619 HydrophobicContact CZ-CB 3.38Å; F617-L656 HydrophobicContact CE2-CD1 3.91Å; F617-L656 HydrophobicContact CE2-CD2 4.19Å; F617-L656 HydrophobicContact CE2-CG 4.22Å; F617-L656 HydrophobicContact CZ-CD1 4.1Å; F617-L658 HydrophobicContact CD2-CD2 3.78Å; F617-L658 HydrophobicContact CD2-CG 4.24Å; F617-L658 HydrophobicContact CE2-CD2 4.4Å |
| 618 | S | 47 | Very low | 49.7 | Very low | 64 Ų | 64 | 60.4 Ų | 60.4 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 125.6 | 168.9 | 57.4 | 0 | 0 | 0 | 0 | 107.1 | ||
| 619 | A | 48.1 | Very low | 49 | Very low | 3 Ų | 3 | 60.5 Ų | 60.5 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 125.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | F617 L621 L656 | F617-A619 HydrophobicContact CD1-CB 4.31Å; F617-A619 HydrophobicContact CE1-CB 3.45Å; F617-A619 VanDerWaalsContact CE1-CB 3.45Å; F617-A619 HydrophobicContact CE2-CB 4.2Å; F617-A619 HydrophobicContact CZ-CB 3.38Å; A619-L621 PolarHBondContact O-N 2.96Å; A619-L656 HydrophobicContact CB-CD1 3.74Å; A619-L656 HydrophobicContact CB-CG 4.19Å |
| 620 | T | 45.2 | Very low | 48.4 | Very low | 63 Ų | 63 | 63 Ų | 63 | 39% | 0.387 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 89 | 163.4 | 22.7 | 0 | 0 | 0 | 0 | 108.1 | D654 | T620-D654 PolarHBondContact OG1-O 2.74Å |
| 621 | L | 49.3 | Very low | 47.5 | Very low | 55 Ų | 55 | 64.7 Ų | 64.7 | 29% | 0.288 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 125 | 169 | -124.2 | 101.6 | 0 | 0 | 0 | 108.1 | A619 I651 | A619-L621 PolarHBondContact O-N 2.96Å; L621-I651 HydrophobicContact CD2-CG2 3.73Å; L621-I651 HydrophobicContact CG-CG2 4.05Å |
| 622 | T | 47.2 | Very low | 46.1 | Very low | 53 Ų | 53 | 72.5 Ų | 72.5 | 33% | 0.325 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 114.7 | 163.3 | 55.6 | 0 | 0 | 0 | 0 | 108.7 | L592 F652 | L592-T622 HydrophobicContact CD2-CG2 3.61Å; T622-F652 PolarHBondContact N-O 2.83Å; T622-F652 PolarHBondContact O-N 3.26Å; T622-F652 WeakPolarHBondContact OG1-CB 3.28Å |
| 623 | S | 46.7 | Very low | 44.5 | Very low | 41 Ų | 41 | 75.9 Ų | 75.9 | 29% | 0.287 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 134.5 | 167.6 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | ||
| 624 | S | 46.5 | Very low | 42.9 | Very low | 51 Ų | 51 | 80.9 Ų | 80.9 | 36% | 0.357 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.3 | 170.1 | 77.5 | 0 | 0 | 0 | 0 | 108.7 | T650 | S624-T650 PolarHBondContact N-O 2.82Å; S624-T650 PolarHBondContact O-N 3.13Å; S624-T650 PolarHBondContact OG-OG1 3.45Å |
| 625 | G | 44.7 | Very low | 41.5 | Very low | 25 Ų | 25 | 82.4 Ų | 82.4 | 26% | 0.258 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 626 | K | 44 | Very low | 40.2 | Very low | 159 Ų | 159 | 87.3 Ų | 87.3 | 69% | 0.691 | 51% | 0.511 | S | S | * | . | trans | -107.6 | 123.1 | 169.9 | -74.8 | 178.2 | 179.9 | 172.2 | 0 | 108.2 | ||||
| 627 | L | 40.6 | Very low | 39.1 | Very low | 73 Ų | 73 | 93.1 Ų | 93.1 | 38% | 0.382 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 123.6 | 168.6 | -150.9 | 77.3 | 0 | 0 | 0 | 108.5 | L647 | L627-L647 HydrophobicContact CD1-CD2 3.76Å; L627-L647 HydrophobicContact CD1-CG 4.37Å |
| 628 | P | 41.1 | Very low | 38.3 | Very low | 67 Ų | 67 | 98.7 Ų | 98.7 | 44% | 0.435 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 145.1 | 175.3 | -15.6 | 28.2 | 0 | 0 | 0 | 111.8 | L630 | P628-L630 PolarHBondContact O-N 3.45Š|
| 629 | S | 36.3 | Very low | 37.4 | Very low | 95 Ų | 95 | 101.9 Ų | 101.9 | 66% | 0.664 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 130.9 | 167.7 | 53.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 630 | L | 34 | Very low | 36.4 | Very low | 152 Ų | 152 | 107 Ų | 107 | 80% | 0.796 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 128.6 | -179.1 | -128.8 | 103.4 | 0 | 0 | 0 | 110.2 | P628 | P628-L630 PolarHBondContact O-N 3.45Š|
| 631 | P | 34.1 | Very low | 35.6 | Very low | 108 Ų | 108 | 109.1 Ų | 109.1 | 70% | 0.701 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 141 | 179.4 | 26.6 | -31.3 | 0 | 0 | 0 | 110.6 | K633 | P631-K633 PolarHBondContact O-N 2.81Š|
| 632 | E | 29.6 | Very low | 34.6 | Very low | 172 Ų | 172 | 115.2 Ų | 115.2 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | trans | -42.2 | 125.8 | 171.5 | -69.1 | 176.1 | 158.7 | 0 | 0 | 110.2 | T634 | E632-T634 PolarHBondContact O-N 2.85Š| ||
| 633 | K | 27.9 | Very low | 33.7 | Very low | 212 Ų | 212 | 121.3 Ų | 121.3 | 92% | 0.922 | 67% | 0.671 | S | S | * | * | trans | -60 | 83.2 | 171.8 | -83.8 | -179.1 | 175 | 175.9 | 0 | 109 | P631 | P631-K633 PolarHBondContact O-N 2.81Š| ||
| 634 | T | 26.2 | Very low | 32.7 | Very low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.693 | 69% | 0.692 | S | S | * | * | trans | -86.4 | 111.4 | 164.9 | 43.6 | 0 | 0 | 0 | 0 | 106.9 | E632 S636 | E632-T634 PolarHBondContact O-N 2.85Å; T634-S636 PolarHBondContact O-N 2.8Å | ||
| 635 | S | 27.8 | Very low | 31.9 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | trans | -67.3 | 92.6 | 177.8 | 51.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 636 | S | 29.4 | Very low | 31.4 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | -160.5 | 148.9 | 158.7 | 56.6 | 0 | 0 | 0 | 0 | 112 | T634 | T634-S636 PolarHBondContact O-N 2.8Š| ||
| 637 | E | 28.2 | Very low | 31.1 | Very low | 177 Ų | 177 | 132 Ų | 132 | 83% | 0.827 | 72% | 0.72 | S | S | * | * | trans | -73.7 | 153.7 | -159.8 | -64.5 | 160 | 141.1 | 0 | 0 | 115.2 | ||||
| 638 | N | 31.4 | Very low | 31.2 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 84% | 0.84 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 79.8 | 7.1 | 146 | -78.4 | -11.1 | 0 | 0 | 0 | 124.3 | ||
| 639 | D | 27.5 | Very low | 31.5 | Very low | 131 Ų | 131 | 130 Ų | 130 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | -121.3 | 43 | 175.3 | -97.5 | -19 | 0 | 0 | 0 | 114.6 | S641 | D639-S641 VanDerWaalsContact C-N 3.28Å; D639-S641 PolarHBondContact O-N 3.02Å | ||
| 640 | S | 27.1 | Very low | 32.4 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -8.6 | -175.9 | 53.4 | 0 | 0 | 0 | 0 | 115.8 | ||
| 641 | S | 27.9 | Very low | 33.5 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -6.7 | -176.4 | 61.2 | 0 | 0 | 0 | 0 | 115.4 | D639 | D639-S641 VanDerWaalsContact C-N 3.28Å; D639-S641 PolarHBondContact O-N 3.02Å |
| 642 | K | 27.5 | Very low | 34.7 | Very low | 183 Ų | 183 | 119.7 Ų | 119.7 | 80% | 0.796 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -116.1 | 1.6 | -174.7 | -79.2 | -171.8 | 176.4 | -179.9 | 0 | 116.3 | ||
| 643 | K | 28.3 | Very low | 36.2 | Very low | 181 Ų | 181 | 112 Ų | 112 | 79% | 0.787 | 61% | 0.608 | S | S | * | * | trans | -126.7 | 13.4 | -175.6 | -75.1 | -173 | 178.7 | 178.4 | 0 | 116 | T645 | K643-T645 PolarHBondContact O-N 2.76Š| ||
| 644 | L | 26.9 | Very low | 37.8 | Very low | 140 Ų | 140 | 106 Ų | 106 | 73% | 0.733 | 59% | 0.586 | S | S | * | * | trans | -74.9 | 79.7 | 160.1 | -83.6 | 154.6 | 0 | 0 | 0 | 108 | E646 | L644-E646 PolarHBondContact O-N 3.41Š| ||
| 645 | T | 30.1 | Very low | 39.4 | Very low | 100 Ų | 100 | 105.1 Ų | 105.1 | 61% | 0.613 | 58% | 0.577 | S | S | * | * | trans | -57.9 | 112.5 | 174.8 | 41.2 | 0 | 0 | 0 | 0 | 110.8 | K643 L647 | K643-T645 PolarHBondContact O-N 2.76Å; T645-L647 PolarHBondContact O-N 2.86Å | ||
| 646 | E | 34 | Very low | 41 | Very low | 167 Ų | 167 | 100 Ų | 100 | 78% | 0.78 | 54% | 0.54 | S | S | * | . | trans | 27.8 | 84 | 145 | -65.4 | 175.4 | -179 | 0 | 0 | 115.9 | L644 S648 | L644-E646 PolarHBondContact O-N 3.41Å; E646-S648 PolarHBondContact O-N 2.91Å | ||
| 647 | L | 36.5 | Very low | 42.6 | Very low | 93 Ų | 93 | 96.2 Ų | 96.2 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | trans | -66.9 | 86 | 146.9 | -95.6 | 149.8 | 0 | 0 | 0 | 107.2 | L627 T645 S649 | L627-L647 HydrophobicContact CD1-CD2 3.76Å; L627-L647 HydrophobicContact CD1-CG 4.37Å; T645-L647 PolarHBondContact O-N 2.86Å; L647-S649 PolarHBondContact O-N 2.78Å | ||
| 648 | S | 42.9 | Very low | 44.3 | Very low | 68 Ų | 68 | 89.4 Ų | 89.4 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | trans | -80.7 | 114.1 | 169.1 | 58.1 | 0 | 0 | 0 | 0 | 108.8 | E646 | E646-S648 PolarHBondContact O-N 2.91Š| ||
| 649 | S | 48.1 | Very low | 45.9 | Very low | 29 Ų | 29 | 88.6 Ų | 88.6 | 20% | 0.203 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 113.4 | 167.4 | 49 | 0 | 0 | 0 | 0 | 107.9 | L647 L692 N693 | L647-S649 PolarHBondContact O-N 2.78Å; S649-L692 WeakPolarHBondContact OG-CD2 3.33Å; S649-N693 PolarHBondContact O-N 2.9Å |
| 650 | T | 54.8 | Low | 47.7 | Very low | 28 Ų | 28 | 82.9 Ų | 82.9 | 17% | 0.172 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133.1 | 167.9 | 41.1 | 0 | 0 | 0 | 0 | 109.1 | S624 F652 N693 | S624-T650 PolarHBondContact N-O 2.82Å; S624-T650 PolarHBondContact O-N 3.13Å; S624-T650 PolarHBondContact OG-OG1 3.45Å; T650-F652 HydrophobicContact CG2-CE2 4.43Å; T650-F652 WeakPolarHBondContact OG1-CE2 3.3Å; T650-N693 WeakPolarHBondContact CA-O 2.89Å; T650-N693 HydrophobicContact CG2-CB 3.83Å |
| 651 | I | 57 | Low | 49.7 | Very low | 41 Ų | 41 | 78.7 Ų | 78.7 | 21% | 0.21 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 110.8 | 168.8 | -61 | 174.1 | 0 | 0 | 0 | 106.2 | L621 L692 N693 I694 E695 | L621-I651 HydrophobicContact CD2-CG2 3.73Å; L621-I651 HydrophobicContact CG-CG2 4.05Å; I651-L692 HydrophobicContact CD1-CD2 3.92Å; I651-L692 HydrophobicContact CG1-CD2 4.34Å; I651-N693 PolarHBondContact N-O 2.82Å; I651-I694 WeakPolarHBondContact O-CA 3.14Å; I651-E695 PolarHBondContact O-N 3.39Å |
| 652 | F | 59.9 | Low | 51.6 | Low | 71 Ų | 71 | 74.2 Ų | 74.2 | 31% | 0.311 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 133.4 | 170.2 | -63.1 | -92.7 | 0 | 0 | 0 | 109 | T622 T650 E695 | T622-F652 PolarHBondContact N-O 2.83Å; T622-F652 PolarHBondContact O-N 3.26Å; T622-F652 WeakPolarHBondContact OG1-CB 3.28Å; T650-F652 HydrophobicContact CG2-CE2 4.43Å; T650-F652 WeakPolarHBondContact OG1-CE2 3.3Å; F652-E695 HydrophobicContact CD1-CB 3.91Å; F652-E695 HydrophobicContact CE1-CB 4.26Å; F652-E695 VanDerWaalsContact CE1-CD 3.48Å; F652-E695 HydrophobicContact CE1-CG 4.38Å; F652-E695 WeakPolarHBondContact CE1-OE2 3.45Å |
| 653 | C | 60.1 | Low | 53.5 | Low | 9 Ų | 9 | 66.4 Ų | 66.4 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 106.6 | 179 | -169.8 | 0 | 0 | 0 | 0 | 110.6 | L656 E695 I696 D697 | C653-L656 VanDerWaalsContact SG-CD1 3.53Å; C653-E695 PolarHBondContact N-O 2.68Å; C653-I696 HydrophobicContact CB-CG1 4.45Å; C653-D697 PolarHBondContact O-N 3.26Å |
| 654 | D | 61.8 | Low | 55.5 | Low | 87 Ų | 87 | 58.1 Ų | 58.1 | 47% | 0.465 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.4 | 173.5 | -67.9 | -12.3 | 0 | 0 | 0 | 110 | T620 | T620-D654 PolarHBondContact OG1-O 2.74Å |
| 655 | D | 59.6 | Low | 57.4 | Low | 95 Ų | 95 | 54 Ų | 54 | 51% | 0.508 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.6 | 62.2 | 170.6 | -76.7 | -17.2 | 0 | 0 | 0 | 116.6 | Q698 | D655-Q698 PolarHBondContact OD1-OE1 3.36Å; D655-Q698 VanDerWaalsContact OD1-OE1 3.13Å |
| 656 | L | 62 | Low | 59.3 | Low | 16 Ų | 16 | 50.6 Ų | 50.6 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 125.7 | 175.5 | -159.8 | 140.8 | 0 | 0 | 0 | 111.8 | F617 A619 C653 L658 Q698 F699 S700 | F617-L656 HydrophobicContact CE2-CD1 3.91Å; F617-L656 HydrophobicContact CE2-CD2 4.19Å; F617-L656 HydrophobicContact CE2-CG 4.22Å; F617-L656 HydrophobicContact CZ-CD1 4.1Å; A619-L656 HydrophobicContact CB-CD1 3.74Å; A619-L656 HydrophobicContact CB-CG 4.19Å; C653-L656 VanDerWaalsContact SG-CD1 3.53Å; L656-L658 HydrophobicContact CD2-CD1 3.57Å; L656-L658 HydrophobicContact CD2-CG 3.75Å; L656-Q698 PolarHBondContact N-O 3.46Å; L656-F699 HydrophobicContact CB-CD2 4.01Å; L656-F699 HydrophobicContact CD2-CD2 3.36Å; L656-F699 HydrophobicContact CD2-CE2 3.4Å; L656-F699 VanDerWaalsContact CD2-CE2 3.4Å; L656-F699 HydrophobicContact CG-CD2 4.17Å; L656-F699 CarbonylContact O-C 3.56Å; L656-F699 WeakPolarHBondContact O-CA 3.31Å; L656-S700 PolarHBondContact O-N 2.93Å; L656-S700 PolarHBondContact O-OG 3.09Å |
| 657 | C | 62.7 | Low | 60.8 | Low | 30 Ų | 30 | 43.1 Ų | 43.1 | 20% | 0.203 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120 | 174.8 | -169.5 | 0 | 0 | 0 | 0 | 111.1 | S700 | C657-S700 WeakPolarHBondContact CA-OG 3.39Å; C657-S700 WeakPolarHBondContact CB-OG 3.36Å; C657-S700 PolarHBondContact SG-OG 2.83Å |
| 658 | L | 63.9 | Low | 62.2 | Low | 33 Ų | 33 | 39.7 Ų | 39.7 | 17% | 0.173 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.2 | 174.9 | -81.7 | 152.2 | 0 | 0 | 0 | 109.6 | F617 L656 L660 F699 S700 V701 V702 | F617-L658 HydrophobicContact CD2-CD2 3.78Å; F617-L658 HydrophobicContact CD2-CG 4.24Å; F617-L658 HydrophobicContact CE2-CD2 4.4Å; L656-L658 HydrophobicContact CD2-CD1 3.57Å; L656-L658 HydrophobicContact CD2-CG 3.75Å; L658-L660 HydrophobicContact CB-CD1 4.5Å; L658-F699 HydrophobicContact CD1-CE2 3.48Å; L658-F699 VanDerWaalsContact CD1-CE2 3.48Å; L658-F699 HydrophobicContact CD1-CZ 3.66Å; L658-S700 PolarHBondContact N-O 3.02Å; L658-V701 HydrophobicContact CB-CG2 4.39Å; L658-V701 HydrophobicContact CD1-CG2 4.4Å; L658-V702 PolarHBondContact O-N 2.83Å |
| 659 | R | 65 | Low | 63.2 | Low | 140 Ų | 140 | 39.3 Ų | 39.3 | 53% | 0.528 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 100.1 | 176.6 | -65.4 | -176.4 | 178.9 | -179 | 0.7 | 110.2 | N615 V702 V704 | N615-R659 PolarHBondContact OD1-N 3.2Å; N615-R659 PolarHBondContact OD1-O 2.87Å; R659-V702 CarbonylContact C-O 3.45Å; R659-V702 WeakPolarHBondContact CA-O 3.15Å; R659-V702 HydrophobicContact CG-CB 4.04Å; R659-V702 HydrophobicContact CG-CG1 4.45Å; R659-V702 HydrophobicContact CG-CG2 4.44Å; R659-V704 HydrophobicContact CB-CG2 4.18Å |
| 660 | L | 64.5 | Low | 63.9 | Low | 12 Ų | 12 | 41.3 Ų | 41.3 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.3 | -171 | -71.7 | 165.5 | 0 | 0 | 0 | 112 | N615 L658 D664 L665 L668 V702 F703 V704 | N615-L660 HydrophobicContact CB-CD2 4.48Å; N615-L660 WeakPolarHBondContact ND2-CD2 3.47Å; L658-L660 HydrophobicContact CB-CD1 4.5Å; L660-D664 HydrophobicContact CD2-CB 3.97Å; L660-L665 HydrophobicContact CD1-CD1 4.21Å; L660-L668 HydrophobicContact CD2-CD1 3.62Å; L660-V702 PolarHBondContact N-O 2.9Å; L660-F703 CarbonylContact O-C 3.57Å; L660-F703 WeakPolarHBondContact O-CA 3.41Å; L660-V704 PolarHBondContact O-N 2.93Å |
| 661 | S | 70.1 | Confident | 64.2 | Low | 21 Ų | 21 | 40.7 Ų | 40.7 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | trans | -80.2 | 159.2 | 160.2 | 75.3 | 0 | 0 | 0 | 0 | 111.6 | C663 D664 L665 V704 | S661-C663 PolarHBondContact O-N 2.81Å; S661-D664 WeakPolarHBondContact CB-OD2 3.4Å; S661-D664 PolarHBondContact N-OD2 3.5Å; S661-D664 PolarHBondContact O-N 3.29Å; S661-D664 VanDerWaalsContact O-N 3.15Å; S661-D664 WeakPolarHBondContact OG-CB 3.37Å; S661-D664 PolarHBondContact OG-N 2.89Å; S661-D664 PolarHBondContact OG-OD2 3.34Å; S661-L665 PolarHBondContact O-N 2.81Å; S661-V704 WeakPolarHBondContact CA-O 3.22Å; S661-V704 WeakPolarHBondContact CB-O 3.32Å | ||
| 662 | L | 67.9 | Low | 64.3 | Low | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.073 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.7 | -33.4 | 174.4 | -81.1 | 159.8 | 0 | 0 | 0 | 111.9 | L666 W800 W804 A811 | L662-L666 WeakPolarHBondContact O-CG 3.46Å; L662-L666 PolarHBondContact O-N 2.84Å; L662-W800 HydrophobicContact CD1-CH2 4.15Å; L662-W804 HydrophobicContact CD1-CH2 4.47Å; L662-W804 HydrophobicContact CD1-CZ3 4.08Å; L662-W804 HydrophobicContact CD2-CH2 3.83Å; L662-W804 HydrophobicContact CD2-CZ3 4.25Å; L662-A811 HydrophobicContact CB-CB 4.19Å |
| 663 | C | 68.3 | Low | 64.1 | Low | 19 Ų | 19 | 47.6 Ų | 47.6 | 13% | 0.128 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.2 | -45.4 | 173.8 | -170.9 | 0 | 0 | 0 | 0 | 111.3 | S661 L665 L666 I667 | S661-C663 PolarHBondContact O-N 2.81Å; C663-L665 VanDerWaalsContact C-N 3.32Å; C663-L665 PolarHBondContact O-N 3.05Å; C663-L666 PolarHBondContact O-N 2.78Å; C663-I667 WeakPolarHBondContact O-CG1 3.33Å; C663-I667 PolarHBondContact O-N 2.83Å; C663-I667 VanDerWaalsContact O-N 3.14Å |
| 664 | D | 69.8 | Low | 63.8 | Low | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62 | -40 | 177.2 | -63 | -38.4 | 0 | 0 | 0 | 111.5 | I613 S614 L660 S661 I667 L668 | I613-D664 HydrophobicContact CG2-CB 4.14Å; S614-D664 PolarHBondContact OG-OD2 2.99Å; L660-D664 HydrophobicContact CD2-CB 3.97Å; S661-D664 WeakPolarHBondContact CB-OD2 3.4Å; S661-D664 PolarHBondContact N-OD2 3.5Å; S661-D664 PolarHBondContact O-N 3.29Å; S661-D664 VanDerWaalsContact O-N 3.15Å; S661-D664 WeakPolarHBondContact OG-CB 3.37Å; S661-D664 PolarHBondContact OG-N 2.89Å; S661-D664 PolarHBondContact OG-OD2 3.34Å; D664-I667 PolarHBondContact O-N 2.96Å; D664-L668 WeakPolarHBondContact O-CG 3.37Å; D664-L668 PolarHBondContact O-N 3.12Å |
| 665 | L | 67.4 | Low | 63.2 | Low | 55 Ų | 55 | 48.3 Ų | 48.3 | 29% | 0.288 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 176 | -171.7 | 85.9 | 0 | 0 | 0 | 111.8 | L660 S661 C663 L668 V669 F703 | L660-L665 HydrophobicContact CD1-CD1 4.21Å; S661-L665 PolarHBondContact O-N 2.81Å; C663-L665 VanDerWaalsContact C-N 3.32Å; C663-L665 PolarHBondContact O-N 3.05Å; L665-L668 PolarHBondContact O-N 2.84Å; L665-V669 HydrophobicContact CG-CG2 4.45Å; L665-V669 VanDerWaalsContact O-CG2 3.3Å; L665-V669 WeakPolarHBondContact O-CG2 3.07Å; L665-V669 PolarHBondContact O-N 2.78Å; L665-F703 HydrophobicContact CD1-CE1 4.43Å; L665-F703 HydrophobicContact CD2-CE1 4.3Å |
| 666 | L | 68.3 | Low | 62.8 | Low | 27 Ų | 27 | 45.7 Ų | 45.7 | 14% | 0.141 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 178.3 | -75.4 | 171.4 | 0 | 0 | 0 | 111.9 | L662 C663 L668 V669 D670 W808 A811 | L662-L666 WeakPolarHBondContact O-CG 3.46Å; L662-L666 PolarHBondContact O-N 2.84Å; C663-L666 PolarHBondContact O-N 2.78Å; L666-L668 VanDerWaalsContact C-N 3.33Å; L666-L668 PolarHBondContact O-N 3.05Å; L666-V669 PolarHBondContact O-N 3.46Å; L666-D670 PolarHBondContact O-N 3.45Å; L666-D670 VanDerWaalsContact O-N 3.15Å; L666-W808 HydrophobicContact CD2-CH2 3.53Å; L666-W808 HydrophobicContact CD2-CZ2 3.81Å; L666-W808 HydrophobicContact CD2-CZ3 4.23Å; L666-W808 HydrophobicContact CG-CH2 4.45Å; L666-A811 HydrophobicContact CD1-CB 4.38Å |
| 667 | I | 66.2 | Low | 62.2 | Low | 11 Ų | 11 | 51.9 Ų | 51.9 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 176.3 | -65.4 | 163.7 | 0 | 0 | 0 | 110.5 | C601 I611 C663 D664 F671 Y815 | C601-I667 HydrophobicContact CB-CG2 4.07Å; I611-I667 HydrophobicContact CG2-CD1 3.89Å; C663-I667 WeakPolarHBondContact O-CG1 3.33Å; C663-I667 PolarHBondContact O-N 2.83Å; C663-I667 VanDerWaalsContact O-N 3.14Å; D664-I667 PolarHBondContact O-N 2.96Å; I667-F671 WeakPolarHBondContact O-CB 3.49Å; I667-F671 PolarHBondContact O-N 2.79Å; I667-Y815 HydrophobicContact CG1-CD2 3.76Å; I667-Y815 HydrophobicContact CG1-CE2 3.8Å |
| 668 | L | 65.3 | Low | 61.5 | Low | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 179.5 | -71.4 | 172.7 | 0 | 0 | 0 | 112.7 | I570 L660 D664 L665 L666 D670 F671 F672 | I570-L668 HydrophobicContact CD1-CD2 3.85Å; L660-L668 HydrophobicContact CD2-CD1 3.62Å; D664-L668 WeakPolarHBondContact O-CG 3.37Å; D664-L668 PolarHBondContact O-N 3.12Å; L665-L668 PolarHBondContact O-N 2.84Å; L666-L668 VanDerWaalsContact C-N 3.33Å; L666-L668 PolarHBondContact O-N 3.05Å; L668-D670 PolarHBondContact O-N 3.46Å; L668-F671 WeakPolarHBondContact O-CB 3.43Å; L668-F671 PolarHBondContact O-N 3.02Å; L668-F672 HydrophobicContact CB-CD2 4.41Å; L668-F672 HydrophobicContact CB-CE2 4.3Å; L668-F672 HydrophobicContact CD2-CE2 4.39Å; L668-F672 WeakPolarHBondContact O-CD2 3.5Å; L668-F672 PolarHBondContact O-N 2.89Å |
| 669 | V | 65 | Low | 60.5 | Low | 60 Ų | 60 | 54.3 Ų | 54.3 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 178.8 | 167.8 | 0 | 0 | 0 | 0 | 111.3 | L665 L666 F672 K673 | L665-V669 HydrophobicContact CG-CG2 4.45Å; L665-V669 VanDerWaalsContact O-CG2 3.3Å; L665-V669 WeakPolarHBondContact O-CG2 3.07Å; L665-V669 PolarHBondContact O-N 2.78Å; L666-V669 PolarHBondContact O-N 3.46Å; V669-F672 PolarHBondContact O-N 2.98Å; V669-K673 HydrophobicContact CG1-CD 4.23Å; V669-K673 WeakPolarHBondContact O-CB 3.35Å; V669-K673 WeakPolarHBondContact O-CG 3.37Å; V669-K673 PolarHBondContact O-N 3.35Å |
| 670 | D | 61.2 | Low | 59.5 | Low | 71 Ų | 71 | 52.3 Ų | 52.3 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.2 | -37.2 | 177.8 | -79.7 | -8.8 | 0 | 0 | 0 | 111.6 | L666 L668 K673 A674 Y815 | L666-D670 PolarHBondContact O-N 3.45Å; L666-D670 VanDerWaalsContact O-N 3.15Å; L668-D670 PolarHBondContact O-N 3.46Å; D670-K673 PolarHBondContact O-N 3.17Å; D670-A674 WeakPolarHBondContact O-CB 3.33Å; D670-A674 PolarHBondContact O-N 3.37Å; D670-Y815 PolarHBondContact OD2-OH 2.78Å |
| 671 | F | 61.5 | Low | 58.7 | Low | 15 Ų | 15 | 55.7 Ų | 55.7 | 7% | 0.066 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 172.2 | 175.6 | -93.7 | 0 | 0 | 0 | 111.9 | I558 A568 I570 I667 L668 K673 A674 Y675 | I558-F671 HydrophobicContact CG2-CZ 4.06Å; A568-F671 HydrophobicContact CB-CD2 4Å; A568-F671 HydrophobicContact CB-CE2 4.38Å; I570-F671 HydrophobicContact CD1-CB 4.21Å; I570-F671 HydrophobicContact CD1-CD1 3.44Å; I570-F671 VanDerWaalsContact CD1-CD1 3.44Å; I570-F671 HydrophobicContact CD1-CD2 3.69Å; I570-F671 HydrophobicContact CD1-CE1 3.59Å; I570-F671 HydrophobicContact CD1-CE2 3.83Å; I570-F671 HydrophobicContact CD1-CG 3.49Å; I570-F671 VanDerWaalsContact CD1-CG 3.49Å; I570-F671 HydrophobicContact CD1-CZ 3.78Å; I570-F671 HydrophobicContact CG1-CD1 4.39Å; I570-F671 HydrophobicContact CG1-CD2 3.79Å; I570-F671 HydrophobicContact CG1-CE1 4.34Å; I570-F671 HydrophobicContact CG1-CE2 3.72Å; I570-F671 HydrophobicContact CG1-CG 4.13Å; I570-F671 HydrophobicContact CG1-CZ 4Å; I667-F671 WeakPolarHBondContact O-CB 3.49Å; I667-F671 PolarHBondContact O-N 2.79Å; L668-F671 WeakPolarHBondContact O-CB 3.43Å; L668-F671 PolarHBondContact O-N 3.02Å; F671-K673 PolarHBondContact O-N 2.92Å; F671-A674 PolarHBondContact O-N 2.96Å; F671-Y675 VanDerWaalsContact O-CB 3.27Å; F671-Y675 WeakPolarHBondContact O-CB 3.17Å; F671-Y675 PolarHBondContact O-N 3.22Å |
| 672 | F | 59 | Low | 57.2 | Low | 131 Ų | 131 | 61.3 Ų | 61.3 | 58% | 0.575 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.9 | -31.9 | -179.2 | -74.2 | -61.8 | 0 | 0 | 0 | 113.2 | L668 V669 G676 | L668-F672 HydrophobicContact CB-CD2 4.41Å; L668-F672 HydrophobicContact CB-CE2 4.3Å; L668-F672 HydrophobicContact CD2-CE2 4.39Å; L668-F672 WeakPolarHBondContact O-CD2 3.5Å; L668-F672 PolarHBondContact O-N 2.89Å; V669-F672 PolarHBondContact O-N 2.98Å; F672-G676 PolarHBondContact O-N 3.03Å |
| 673 | K | 56.5 | Low | 55.7 | Low | 125 Ų | 125 | 64.5 Ų | 64.5 | 54% | 0.543 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.7 | -49.2 | 171.9 | -78.8 | 176.6 | -176.3 | 169 | 0 | 111.8 | V669 D670 F671 Y675 G676 E677 | V669-K673 HydrophobicContact CG1-CD 4.23Å; V669-K673 WeakPolarHBondContact O-CB 3.35Å; V669-K673 WeakPolarHBondContact O-CG 3.37Å; V669-K673 PolarHBondContact O-N 3.35Å; D670-K673 PolarHBondContact O-N 3.17Å; F671-K673 PolarHBondContact O-N 2.92Å; K673-Y675 VanDerWaalsContact C-N 3.27Å; K673-Y675 PolarHBondContact O-N 3.25Å; K673-G676 PolarHBondContact O-N 3.15Å; K673-E677 PolarHBondContact O-N 2.97Å |
| 674 | A | 53.5 | Low | 54.1 | Low | 52 Ų | 52 | 68.3 Ų | 68.3 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | D670 F671 E678 | D670-A674 WeakPolarHBondContact O-CB 3.33Å; D670-A674 PolarHBondContact O-N 3.37Å; F671-A674 PolarHBondContact O-N 2.96Å; A674-E678 PolarHBondContact O-N 3.47Å |
| 675 | Y | 50 | Low | 52.4 | Low | 60 Ų | 60 | 77.2 Ų | 77.2 | 24% | 0.235 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 174.8 | -172.4 | -91 | 0 | 0 | 0 | 112.6 | P507 F671 K673 V679 | P507-Y675 HydrophobicContact CG-CE2 4.32Å; P507-Y675 WeakPolarHBondContact CG-OH 3.37Å; F671-Y675 VanDerWaalsContact O-CB 3.27Å; F671-Y675 WeakPolarHBondContact O-CB 3.17Å; F671-Y675 PolarHBondContact O-N 3.22Å; K673-Y675 VanDerWaalsContact C-N 3.27Å; K673-Y675 PolarHBondContact O-N 3.25Å; Y675-V679 HydrophobicContact CD1-CG2 4.26Å; Y675-V679 HydrophobicContact CE1-CG2 3.92Å; Y675-V679 WeakPolarHBondContact O-CG2 3.24Å; Y675-V679 PolarHBondContact O-N 3.38Å |
| 676 | G | 50.2 | Low | 50.9 | Low | 40 Ų | 40 | 82.1 Ų | 82.1 | 41% | 0.412 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F672 K673 S680 | F672-G676 PolarHBondContact O-N 3.03Å; K673-G676 PolarHBondContact O-N 3.15Å; G676-S680 PolarHBondContact O-N 2.99Å |
| 677 | E | 49.9 | Very low | 49.3 | Very low | 145 Ų | 145 | 85.5 Ų | 85.5 | 68% | 0.678 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.7 | -42 | 177.3 | -73.9 | -175.7 | 169.8 | 0 | 0 | 111.8 | K673 S680 S681 | K673-E677 PolarHBondContact O-N 2.97Å; E677-S680 PolarHBondContact O-N 3.1Å; E677-S680 PolarHBondContact O-OG 3.29Å; E677-S681 PolarHBondContact O-N 2.64Å |
| 678 | E | 47.4 | Very low | 47.9 | Very low | 64 Ų | 64 | 86.8 Ų | 86.8 | 30% | 0.299 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.9 | -40.9 | 178.1 | -78.9 | -166.6 | 147.4 | 0 | 0 | 113.1 | N561 A674 S680 S681 Y682 | N561-E678 PolarHBondContact ND2-OE1 3.32Å; N561-E678 PolarHBondContact ND2-OE2 3.41Å; A674-E678 PolarHBondContact O-N 3.47Å; E678-S680 PolarHBondContact O-N 3.17Å; E678-S681 PolarHBondContact O-N 3.3Å; E678-S681 PolarHBondContact O-OG 3.5Å; E678-Y682 PolarHBondContact O-N 3.01Å |
| 679 | V | 43.2 | Very low | 46.7 | Very low | 51 Ų | 51 | 93.2 Ų | 93.2 | 31% | 0.309 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.5 | -32.7 | 177.3 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | Y675 S681 Y682 W686 | Y675-V679 HydrophobicContact CD1-CG2 4.26Å; Y675-V679 HydrophobicContact CE1-CG2 3.92Å; Y675-V679 WeakPolarHBondContact O-CG2 3.24Å; Y675-V679 PolarHBondContact O-N 3.38Å; V679-S681 VanDerWaalsContact C-N 3.32Å; V679-S681 PolarHBondContact O-N 3.41Å; V679-Y682 VanDerWaalsContact O-O 3.05Å; V679-W686 HydrophobicContact CG1-CH2 4.47Å; V679-W686 HydrophobicContact CG1-CZ3 4.27Å |
| 680 | S | 45.3 | Very low | 45.6 | Very low | 98 Ų | 98 | 92.2 Ų | 92.2 | 69% | 0.685 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71.2 | -25 | 176.6 | 76.3 | 0 | 0 | 0 | 0 | 113.9 | G676 E677 E678 | G676-S680 PolarHBondContact O-N 2.99Å; E677-S680 PolarHBondContact O-N 3.1Å; E677-S680 PolarHBondContact O-OG 3.29Å; E678-S680 PolarHBondContact O-N 3.17Å |
| 681 | S | 45.8 | Very low | 45 | Very low | 83 Ų | 83 | 91 Ų | 91 | 58% | 0.58 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -79.3 | -30.8 | -177.6 | 72.5 | 0 | 0 | 0 | 0 | 113.2 | E677 E678 V679 | E677-S681 PolarHBondContact O-N 2.64Å; E678-S681 PolarHBondContact O-N 3.3Å; E678-S681 PolarHBondContact O-OG 3.5Å; V679-S681 VanDerWaalsContact C-N 3.32Å; V679-S681 PolarHBondContact O-N 3.41Å |
| 682 | Y | 38.9 | Very low | 44.8 | Very low | 139 Ų | 139 | 92.6 Ų | 92.6 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -89.1 | 112.4 | 170.4 | -72.7 | -84.3 | 0 | 0 | 0 | 108.2 | E678 V679 N684 | E678-Y682 PolarHBondContact O-N 3.01Å; V679-Y682 VanDerWaalsContact O-O 3.05Å; Y682-N684 PolarHBondContact O-N 3.06Å |
| 683 | G | 37.4 | Very low | 45 | Very low | 81 Ų | 81 | 89.6 Ų | 89.6 | 84% | 0.835 | 49% | 0.489 | S | S | * | . | trans | -62.4 | 28.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | R685 | G683-R685 PolarHBondContact O-N 2.99Š| ||
| 684 | N | 34 | Very low | 45.4 | Very low | 99 Ų | 99 | 85.7 Ų | 85.7 | 53% | 0.529 | 47% | 0.474 | S | S | . | . | trans | -80.5 | 110.2 | 176.1 | -73.7 | -34.3 | 0 | 0 | 0 | 109.9 | R508 Y682 W686 | R508-N684 PolarHBondContact NH2-ND2 3.31Å; Y682-N684 PolarHBondContact O-N 3.06Å; N684-W686 PolarHBondContact O-N 3.03Å | ||
| 685 | R | 34.5 | Very low | 46.1 | Very low | 194 Ų | 194 | 86.5 Ų | 86.5 | 73% | 0.732 | 47% | 0.468 | S | S | * | . | trans | -46.7 | 120.7 | 166 | -55.2 | 179.2 | 179.8 | 172.9 | -2.7 | 108.3 | G683 T688 | G683-R685 PolarHBondContact O-N 2.99Å; R685-T688 HydrophobicContact CB-CG2 4.33Å | ||
| 686 | W | 34.9 | Very low | 47 | Very low | 157 Ų | 157 | 85 Ų | 85 | 60% | 0.595 | 46% | 0.464 | S | S | * | . | trans | -46 | 151.9 | 147 | -107.7 | -68.1 | 0 | 0 | 0 | 107.3 | V679 N684 T688 | V679-W686 HydrophobicContact CG1-CH2 4.47Å; V679-W686 HydrophobicContact CG1-CZ3 4.27Å; N684-W686 PolarHBondContact O-N 3.03Å; W686-T688 WeakPolarHBondContact O-CA 3.46Å; W686-T688 WeakPolarHBondContact O-CB 3.39Å; W686-T688 WeakPolarHBondContact O-CG2 3.41Å; W686-T688 PolarHBondContact O-N 3.39Å; W686-T688 PolarHBondContact O-OG1 3.23Å | ||
| 687 | P | 35.6 | Very low | 47.9 | Very low | 98 Ų | 98 | 87.4 Ų | 87.4 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | trans | -57.2 | 97.5 | 167.7 | -17 | 30.5 | 0 | 0 | 0 | 107.5 | E689 | P687-E689 PolarHBondContact O-N 3.11Š| ||
| 688 | T | 37.1 | Very low | 48.8 | Very low | 39 Ų | 39 | 84.4 Ų | 84.4 | 24% | 0.239 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 15.9 | -156.7 | 29.4 | 0 | 0 | 0 | 0 | 113.7 | R685 W686 Q725 | R685-T688 HydrophobicContact CB-CG2 4.33Å; W686-T688 WeakPolarHBondContact O-CA 3.46Å; W686-T688 WeakPolarHBondContact O-CB 3.39Å; W686-T688 WeakPolarHBondContact O-CG2 3.41Å; W686-T688 PolarHBondContact O-N 3.39Å; W686-T688 PolarHBondContact O-OG1 3.23Å; T688-Q725 HydrophobicContact CG2-CB 4.05Å; T688-Q725 HydrophobicContact CG2-CG 3.76Å; T688-Q725 PolarHBondContact OG1-OE1 3.2Å |
| 689 | E | 40 | Very low | 50 | Low | 155 Ų | 155 | 84.1 Ų | 84.1 | 72% | 0.724 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.4 | 6.3 | -177.9 | -67.5 | -177.5 | 170.8 | 0 | 0 | 113.2 | P687 A691 | P687-E689 PolarHBondContact O-N 3.11Å; E689-A691 PolarHBondContact O-N 3.46Å |
| 690 | C | 41.4 | Very low | 51.3 | Low | 39 Ų | 39 | 82.2 Ų | 82.2 | 26% | 0.264 | 44% | 0.441 | S | S | . | . | trans | -84.3 | 105.7 | 176.8 | -63 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 691 | A | 49.2 | Very low | 52.4 | Low | 45 Ų | 45 | 78.6 Ų | 78.6 | 37% | 0.372 | 41% | 0.414 | S | S | . | . | trans | -69.1 | 125.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | E689 | E689-A691 PolarHBondContact O-N 3.46Š| ||
| 692 | L | 56.9 | Low | 53.5 | Low | 50 Ų | 50 | 75 Ų | 75 | 26% | 0.262 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114.2 | 177.1 | -82.9 | 154.4 | 0 | 0 | 0 | 108.2 | S649 I651 V721 | S649-L692 WeakPolarHBondContact OG-CD2 3.33Å; I651-L692 HydrophobicContact CD1-CD2 3.92Å; I651-L692 HydrophobicContact CG1-CD2 4.34Å; L692-V721 HydrophobicContact CB-CB 4.29Å; L692-V721 PolarHBondContact N-O 2.75Å; L692-V721 VanDerWaalsContact N-O 3.11Å; L692-V721 PolarHBondContact O-N 2.69Å |
| 693 | N | 63.2 | Low | 54.9 | Low | 68 Ų | 68 | 70.6 Ų | 70.6 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 121.4 | 166.6 | -75.9 | -3.8 | 0 | 0 | 0 | 107.7 | S649 T650 I651 | S649-N693 PolarHBondContact O-N 2.9Å; T650-N693 WeakPolarHBondContact CA-O 2.89Å; T650-N693 HydrophobicContact CG2-CB 3.83Å; I651-N693 PolarHBondContact N-O 2.82Å |
| 694 | I | 65 | Low | 56.1 | Low | 43 Ų | 43 | 68.7 Ų | 68.7 | 22% | 0.221 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 116.2 | 176.6 | -52.9 | 175.3 | 0 | 0 | 0 | 106.8 | I651 I696 L719 V721 | I651-I694 WeakPolarHBondContact O-CA 3.14Å; I694-I696 HydrophobicContact CG2-CD1 4.05Å; I694-I696 HydrophobicContact CG2-CG1 3.8Å; I694-L719 HydrophobicContact CB-CB 4.31Å; I694-L719 PolarHBondContact N-O 2.93Å; I694-L719 PolarHBondContact O-N 3.5Å; I694-V721 HydrophobicContact CD1-CG2 3.86Å; I694-V721 HydrophobicContact CG1-CG2 4.45Å |
| 695 | E | 68.9 | Low | 57.2 | Low | 68 Ų | 68 | 67.8 Ų | 67.8 | 32% | 0.318 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122 | 174.3 | -66.6 | -178.9 | -148.4 | 0 | 0 | 108 | I651 F652 C653 A717 E718 | I651-E695 PolarHBondContact O-N 3.39Å; F652-E695 HydrophobicContact CD1-CB 3.91Å; F652-E695 HydrophobicContact CE1-CB 4.26Å; F652-E695 VanDerWaalsContact CE1-CD 3.48Å; F652-E695 HydrophobicContact CE1-CG 4.38Å; F652-E695 WeakPolarHBondContact CE1-OE2 3.45Å; C653-E695 PolarHBondContact N-O 2.68Å; E695-A717 WeakPolarHBondContact CA-O 3.09Å; E695-E718 HydrophobicContact CG-CG 4.43Å |
| 696 | I | 67.9 | Low | 58.1 | Low | 28 Ų | 28 | 65.2 Ų | 65.2 | 14% | 0.144 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 111 | -177.6 | -56.4 | 174.5 | 0 | 0 | 0 | 107.2 | C653 I694 F699 A717 L719 | C653-I696 HydrophobicContact CB-CG1 4.45Å; I694-I696 HydrophobicContact CG2-CD1 4.05Å; I694-I696 HydrophobicContact CG2-CG1 3.8Å; I696-F699 HydrophobicContact CG2-CB 3.59Å; I696-A717 HydrophobicContact CB-CB 3.98Å; I696-A717 PolarHBondContact N-O 3.07Å; I696-A717 PolarHBondContact O-N 3.23Å; I696-L719 HydrophobicContact CD1-CD1 4.33Å |
| 697 | D | 69.1 | Low | 59.1 | Low | 92 Ų | 92 | 62.4 Ų | 62.4 | 49% | 0.492 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -51.9 | 178.1 | -159.5 | 22.8 | 0 | 0 | 0 | 109.9 | C653 A715 D716 | C653-D697 PolarHBondContact O-N 3.26Å; D697-A715 WeakPolarHBondContact O-CA 3.35Å; D697-D716 PolarHBondContact O-N 2.97Å |
| 698 | Q | 69.2 | Low | 59.9 | Low | 81 Ų | 81 | 59.7 Ų | 59.7 | 38% | 0.379 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 131.1 | 173.8 | -167.1 | 174.7 | 16.7 | 0 | 0 | 111.9 | D655 L656 | D655-Q698 PolarHBondContact OD1-OE1 3.36Å; D655-Q698 VanDerWaalsContact OD1-OE1 3.13Å; L656-Q698 PolarHBondContact N-O 3.46Å |
| 699 | F | 71.5 | Confident | 61.2 | Low | 58 Ų | 58 | 59 Ų | 59 | 25% | 0.254 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 127.6 | 172.7 | 170.5 | -90.4 | 0 | 0 | 0 | 110 | L656 L658 I696 V701 Y713 V714 | L656-F699 HydrophobicContact CB-CD2 4.01Å; L656-F699 HydrophobicContact CD2-CD2 3.36Å; L656-F699 HydrophobicContact CD2-CE2 3.4Å; L656-F699 VanDerWaalsContact CD2-CE2 3.4Å; L656-F699 HydrophobicContact CG-CD2 4.17Å; L656-F699 CarbonylContact O-C 3.56Å; L656-F699 WeakPolarHBondContact O-CA 3.31Å; L658-F699 HydrophobicContact CD1-CE2 3.48Å; L658-F699 VanDerWaalsContact CD1-CE2 3.48Å; L658-F699 HydrophobicContact CD1-CZ 3.66Å; I696-F699 HydrophobicContact CG2-CB 3.59Å; F699-V701 HydrophobicContact CD1-CG2 4.26Å; F699-V701 HydrophobicContact CE1-CG2 3.29Å; F699-V701 HydrophobicContact CZ-CG2 3.44Å; F699-V701 VanDerWaalsContact CZ-CG2 3.44Å; F699-Y713 CarbonylContact O-C 3.57Å; F699-Y713 VanDerWaalsContact O-CA 3.24Å; F699-Y713 WeakPolarHBondContact O-CA 3.28Å; F699-V714 HydrophobicContact CB-CB 4.31Å; F699-V714 HydrophobicContact CD1-CB 4.21Å; F699-V714 HydrophobicContact CD1-CG2 4.25Å; F699-V714 PolarHBondContact N-O 2.82Å; F699-V714 PolarHBondContact O-N 3.06Å |
| 700 | S | 71.1 | Confident | 62.7 | Low | 12 Ų | 12 | 53 Ų | 53 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 133.5 | -179.2 | 59.7 | 0 | 0 | 0 | 0 | 112 | L656 C657 L658 F712 | L656-S700 PolarHBondContact O-N 2.93Å; L656-S700 PolarHBondContact O-OG 3.09Å; C657-S700 WeakPolarHBondContact CA-OG 3.39Å; C657-S700 WeakPolarHBondContact CB-OG 3.36Å; C657-S700 PolarHBondContact SG-OG 2.83Å; L658-S700 PolarHBondContact N-O 3.02Å; S700-F712 CarbonylContact C-O 3.56Å; S700-F712 VanDerWaalsContact CA-O 3.26Å; S700-F712 WeakPolarHBondContact CA-O 3.28Å |
| 701 | V | 68.8 | Low | 64.3 | Low | 22 Ų | 22 | 51.8 Ų | 51.8 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 113.8 | 171.9 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | L658 F699 F703 N711 F712 | L658-V701 HydrophobicContact CB-CG2 4.39Å; L658-V701 HydrophobicContact CD1-CG2 4.4Å; F699-V701 HydrophobicContact CD1-CG2 4.26Å; F699-V701 HydrophobicContact CE1-CG2 3.29Å; F699-V701 HydrophobicContact CZ-CG2 3.44Å; F699-V701 VanDerWaalsContact CZ-CG2 3.44Å; V701-F703 HydrophobicContact CG1-CD2 4.45Å; V701-F703 HydrophobicContact CG1-CE2 4Å; V701-F703 HydrophobicContact CG1-CZ 4.14Å; V701-N711 WeakPolarHBondContact O-CA 2.88Å; V701-N711 PolarHBondContact O-OD1 2.94Å; V701-F712 PolarHBondContact N-O 2.76Å; V701-F712 PolarHBondContact O-N 3.44Å |
| 702 | V | 68.9 | Low | 65.6 | Low | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 112.8 | -176.2 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | L658 R659 L660 V704 V708 N711 | L658-V702 PolarHBondContact O-N 2.83Å; R659-V702 CarbonylContact C-O 3.45Å; R659-V702 WeakPolarHBondContact CA-O 3.15Å; R659-V702 HydrophobicContact CG-CB 4.04Å; R659-V702 HydrophobicContact CG-CG1 4.45Å; R659-V702 HydrophobicContact CG-CG2 4.44Å; L660-V702 PolarHBondContact N-O 2.9Å; V702-V704 HydrophobicContact CG1-CG2 3.84Å; V702-V708 HydrophobicContact CG1-CB 4.26Å; V702-V708 HydrophobicContact CG1-CG1 3.18Å; V702-V708 HydrophobicContact CG1-CG2 4.05Å; V702-N711 WeakPolarHBondContact CG2-OD1 3.47Å |
| 703 | F | 67.7 | Low | 66.5 | Low | 46 Ų | 46 | 52.2 Ų | 52.2 | 20% | 0.202 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 120.2 | 174.9 | -72.4 | -79.1 | 0 | 0 | 0 | 110.4 | L660 L665 V701 V709 M710 F712 | L660-F703 CarbonylContact O-C 3.57Å; L660-F703 WeakPolarHBondContact O-CA 3.41Å; L665-F703 HydrophobicContact CD1-CE1 4.43Å; L665-F703 HydrophobicContact CD2-CE1 4.3Å; V701-F703 HydrophobicContact CG1-CD2 4.45Å; V701-F703 HydrophobicContact CG1-CE2 4Å; V701-F703 HydrophobicContact CG1-CZ 4.14Å; F703-V709 PolarHBondContact O-N 2.67Å; F703-M710 PolarHBondContact N-O 2.61Å; F703-F712 AromaticContact CD2-CD2 3.93Å; F703-F712 HydrophobicContact CD2-CD2 3.93Å; F703-F712 AromaticContact CD2-CE2 3.75Å; F703-F712 HydrophobicContact CD2-CE2 3.75Å; F703-F712 AromaticContact CE2-CD2 3.66Å; F703-F712 HydrophobicContact CE2-CD2 3.66Å; F703-F712 AromaticContact CE2-CE2 3.54Å; F703-F712 HydrophobicContact CE2-CE2 3.54Å |
| 704 | V | 62.5 | Low | 67 | Low | 41 Ų | 41 | 50.5 Ų | 50.5 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125.3 | -173.2 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | R659 L660 S661 V702 V708 | R659-V704 HydrophobicContact CB-CG2 4.18Å; L660-V704 PolarHBondContact O-N 2.93Å; S661-V704 WeakPolarHBondContact CA-O 3.22Å; S661-V704 WeakPolarHBondContact CB-O 3.32Å; V702-V704 HydrophobicContact CG1-CG2 3.84Å; V704-V708 HydrophobicContact CG2-CG2 4.42Å |
| 705 | E | 58 | Low | 67.4 | Low | 79 Ų | 79 | 49.3 Ų | 49.3 | 37% | 0.369 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -114.6 | -82.1 | 163.8 | -76.8 | -169.9 | 161.1 | 0 | 0 | 110 | K707 Y807 | E705-K707 PolarHBondContact N-O 3.22Å; E705-Y807 WeakPolarHBondContact OE2-CE1 3.49Å |
| 706 | T | 53.2 | Low | 67.5 | Low | 140 Ų | 140 | 49.5 Ų | 49.5 | 86% | 0.859 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -105.3 | -31.7 | 173.5 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 707 | K | 55.3 | Low | 67.7 | Low | 98 Ų | 98 | 48.3 Ų | 48.3 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -135.7 | 162.6 | 168.6 | -75.4 | -167.3 | 164 | -152.5 | 0 | 106.7 | E705 Y744 D749 | E705-K707 PolarHBondContact N-O 3.22Å; K707-Y744 HydrophobicContact CB-CE1 4.1Å; K707-Y744 HydrophobicContact CD-CE1 3.83Å; K707-Y744 PolarHBondContact NZ-OH 3.3Å; K707-D749 IonicContact NZ-OD1 3.81Å; K707-D749 IonicContact NZ-OD2 3.54Å; K707-D749 PolarHBondContact NZ-OD2 3.46Å; K707-D749 VanDerWaalsContact NZ-OD2 3.08Å |
| 708 | V | 52.9 | Low | 68 | Low | 41 Ų | 41 | 48.9 Ų | 48.9 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 139.1 | 174.6 | -167.6 | 0 | 0 | 0 | 0 | 109.7 | V702 V704 Y744 W751 | V702-V708 HydrophobicContact CG1-CB 4.26Å; V702-V708 HydrophobicContact CG1-CG1 3.18Å; V702-V708 HydrophobicContact CG1-CG2 4.05Å; V704-V708 HydrophobicContact CG2-CG2 4.42Å; V708-Y744 VanDerWaalsContact O-CB 3.24Å; V708-Y744 WeakPolarHBondContact O-CB 3.48Å; V708-Y744 WeakPolarHBondContact O-CD1 3.45Å; V708-Y744 VanDerWaalsContact O-CG 3.26Å; V708-W751 HydrophobicContact CB-CH2 3.95Å; V708-W751 HydrophobicContact CB-CZ2 3.87Å; V708-W751 HydrophobicContact CG1-CH2 3.09Å; V708-W751 HydrophobicContact CG1-CZ2 3.34Å; V708-W751 HydrophobicContact CG1-CZ3 4.22Å; V708-W751 HydrophobicContact CG2-CZ2 4.41Å |
| 709 | V | 64.7 | Low | 68 | Low | 24 Ų | 24 | 46.8 Ų | 46.8 | 15% | 0.145 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -53.4 | -178.4 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | F703 F743 Y744 W800 | F703-V709 PolarHBondContact O-N 2.67Å; V709-F743 HydrophobicContact CG1-CE2 4.42Å; V709-Y744 PolarHBondContact O-N 3.41Å; V709-W800 HydrophobicContact CB-CZ2 4.25Å; V709-W800 HydrophobicContact CG1-CH2 4.08Å; V709-W800 HydrophobicContact CG1-CZ2 3.65Å; V709-W800 HydrophobicContact CG2-CZ2 4.03Å |
| 710 | M | 71 | Confident | 67.9 | Low | 31 Ų | 31 | 45.5 Ų | 45.5 | 15% | 0.153 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 145.9 | 179.4 | -81.7 | -158.3 | -70.6 | 0 | 0 | 110.5 | F703 F712 D742 F743 L754 | F703-M710 PolarHBondContact N-O 2.61Å; M710-F712 HydrophobicContact CB-CE2 3.97Å; M710-F712 HydrophobicContact CB-CZ 4.43Å; M710-F712 HydrophobicContact CE-CE2 4.11Å; M710-F712 HydrophobicContact CE-CZ 3.77Å; M710-F712 HydrophobicContact SD-CE2 4.41Å; M710-F712 HydrophobicContact SD-CZ 3.95Å; M710-D742 WeakPolarHBondContact CA-O 3.47Å; M710-F743 HydrophobicContact CG-CD2 3.72Å; M710-F743 HydrophobicContact CG-CE2 4.33Å; M710-F743 HydrophobicContact SD-CD2 4.24Å; M710-L754 HydrophobicContact SD-CD2 4.14Å |
| 711 | N | 76 | Confident | 67.6 | Low | 12 Ų | 12 | 45.7 Ų | 45.7 | 6% | 0.064 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.5 | 169 | -158.4 | -4.4 | 0 | 0 | 0 | 108.8 | V701 V702 Y713 S741 D742 W751 | V701-N711 WeakPolarHBondContact O-CA 2.88Å; V701-N711 PolarHBondContact O-OD1 2.94Å; V702-N711 WeakPolarHBondContact CG2-OD1 3.47Å; N711-Y713 HydrophobicContact CB-CE1 4.46Å; N711-Y713 HydrophobicContact CB-CE2 3.76Å; N711-Y713 WeakPolarHBondContact ND2-CE1 3.27Å; N711-Y713 PolarHBondContact ND2-OH 3.02Å; N711-S741 VanDerWaalsContact O-CA 3.26Å; N711-S741 WeakPolarHBondContact O-CA 3.15Å; N711-S741 PolarHBondContact O-OG 3.09Å; N711-D742 PolarHBondContact N-O 2.95Å; N711-D742 PolarHBondContact O-N 3.33Å; N711-W751 HydrophobicContact CB-CE3 4.4Å; N711-W751 HydrophobicContact CB-CH2 3.48Å; N711-W751 VanDerWaalsContact CB-CH2 3.48Å; N711-W751 HydrophobicContact CB-CZ2 4.1Å; N711-W751 HydrophobicContact CB-CZ3 3.7Å |
| 712 | F | 75.8 | Confident | 67.3 | Low | 70 Ų | 70 | 51.6 Ų | 51.6 | 31% | 0.307 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.4 | 172.2 | -66.3 | -84.3 | 0 | 0 | 0 | 108.1 | S700 V701 F703 M710 | S700-F712 CarbonylContact C-O 3.56Å; S700-F712 VanDerWaalsContact CA-O 3.26Å; S700-F712 WeakPolarHBondContact CA-O 3.28Å; V701-F712 PolarHBondContact N-O 2.76Å; V701-F712 PolarHBondContact O-N 3.44Å; F703-F712 AromaticContact CD2-CD2 3.93Å; F703-F712 HydrophobicContact CD2-CD2 3.93Å; F703-F712 AromaticContact CD2-CE2 3.75Å; F703-F712 HydrophobicContact CD2-CE2 3.75Å; F703-F712 AromaticContact CE2-CD2 3.66Å; F703-F712 HydrophobicContact CE2-CD2 3.66Å; F703-F712 AromaticContact CE2-CE2 3.54Å; F703-F712 HydrophobicContact CE2-CE2 3.54Å; M710-F712 HydrophobicContact CB-CE2 3.97Å; M710-F712 HydrophobicContact CB-CZ 4.43Å; M710-F712 HydrophobicContact CE-CE2 4.11Å; M710-F712 HydrophobicContact CE-CZ 3.77Å; M710-F712 HydrophobicContact SD-CE2 4.41Å; M710-F712 HydrophobicContact SD-CZ 3.95Å |
| 713 | Y | 76.2 | Confident | 66.6 | Low | 34 Ų | 34 | 55.5 Ų | 55.5 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139 | 177.1 | -37.2 | -108.8 | 0 | 0 | 0 | 110.4 | F699 N711 L740 D742 | F699-Y713 CarbonylContact O-C 3.57Å; F699-Y713 VanDerWaalsContact O-CA 3.24Å; F699-Y713 WeakPolarHBondContact O-CA 3.28Å; N711-Y713 HydrophobicContact CB-CE1 4.46Å; N711-Y713 HydrophobicContact CB-CE2 3.76Å; N711-Y713 WeakPolarHBondContact ND2-CE1 3.27Å; N711-Y713 PolarHBondContact ND2-OH 3.02Å; Y713-L740 HydrophobicContact CD2-CB 3.88Å; Y713-L740 HydrophobicContact CG-CB 4.37Å; Y713-L740 PolarHBondContact N-O 3.37Å; Y713-L740 PolarHBondContact O-N 3.12Å; Y713-D742 HydrophobicContact CE2-CB 4.1Å; Y713-D742 WeakPolarHBondContact CE2-OD2 3.25Å; Y713-D742 VanDerWaalsContact CZ-OD2 3.27Å; Y713-D742 PolarHBondContact OH-OD2 3.41Å |
| 714 | V | 73.1 | Confident | 65.9 | Low | 32 Ų | 32 | 56.1 Ų | 56.1 | 19% | 0.194 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 116.7 | 165.9 | 177.6 | 0 | 0 | 0 | 0 | 105.6 | F699 A717 F737 K738 L739 | F699-V714 HydrophobicContact CB-CB 4.31Å; F699-V714 HydrophobicContact CD1-CB 4.21Å; F699-V714 HydrophobicContact CD1-CG2 4.25Å; F699-V714 PolarHBondContact N-O 2.82Å; F699-V714 PolarHBondContact O-N 3.06Å; V714-A717 HydrophobicContact CG1-CB 3.72Å; V714-F737 HydrophobicContact CG1-CB 3.87Å; V714-F737 HydrophobicContact CG1-CD2 3.98Å; V714-F737 HydrophobicContact CG1-CG 4.17Å; V714-K738 WeakPolarHBondContact CA-O 3.47Å; V714-L739 HydrophobicContact CG2-CD1 4.16Å |
| 715 | A | 72.9 | Confident | 65 | Low | 18 Ų | 18 | 59 Ų | 59 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 157 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D697 A717 K738 | D697-A715 WeakPolarHBondContact O-CA 3.35Å; A715-A717 VanDerWaalsContact C-N 3.31Å; A715-A717 PolarHBondContact O-N 3.42Å; A715-K738 PolarHBondContact N-O 3.47Å; A715-K738 PolarHBondContact O-N 3.4Å |
| 716 | D | 72.5 | Confident | 64.4 | Low | 73 Ų | 73 | 62.7 Ų | 62.7 | 39% | 0.39 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.2 | 47.5 | 179.2 | -54 | -35.9 | 0 | 0 | 0 | 112.1 | D697 K738 | D697-D716 PolarHBondContact O-N 2.97Å; D716-K738 WeakPolarHBondContact OD2-CD 3.41Å; D716-K738 VanDerWaalsContact OD2-CE 3.31Å; D716-K738 WeakPolarHBondContact OD2-CE 3.26Å; D716-K738 IonicContact OD2-NZ 3.73Å; D716-K738 PolarHBondContact OD2-NZ 3.09Å |
| 717 | A | 72.4 | Confident | 63.9 | Low | 3 Ų | 3 | 67.8 Ų | 67.8 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112 | E695 I696 V714 A715 H736 F737 | E695-A717 WeakPolarHBondContact CA-O 3.09Å; I696-A717 HydrophobicContact CB-CB 3.98Å; I696-A717 PolarHBondContact N-O 3.07Å; I696-A717 PolarHBondContact O-N 3.23Å; V714-A717 HydrophobicContact CG1-CB 3.72Å; A715-A717 VanDerWaalsContact C-N 3.31Å; A715-A717 PolarHBondContact O-N 3.42Å; A717-H736 WeakPolarHBondContact CA-O 3.23Å; A717-F737 HydrophobicContact CB-CB 3.74Å |
| 718 | E | 74.5 | Confident | 63.5 | Low | 104 Ų | 104 | 68.8 Ų | 68.8 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 115.3 | 167.4 | -65 | -176.3 | -173.9 | 0 | 0 | 109.1 | E695 G735 H736 | E695-E718 HydrophobicContact CG-CG 4.43Å; E718-G735 WeakPolarHBondContact O-CA 3.38Å; E718-H736 VanDerWaalsContact CD-CE1 3.44Å; E718-H736 PolarHBondContact N-O 3.49Å; E718-H736 PolarHBondContact O-N 2.95Å; E718-H736 IonicContact OE2-CE1 3.56Å; E718-H736 PolarHBondContact OE2-CE1 3.3Å; E718-H736 IonicContact OE2-NE2 3.54Å |
| 719 | L | 69.7 | Low | 63.3 | Low | 36 Ų | 36 | 69.9 Ų | 69.9 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122 | -178.3 | -59.6 | 170.1 | 0 | 0 | 0 | 110.4 | I694 I696 V733 C734 | I694-L719 HydrophobicContact CB-CB 4.31Å; I694-L719 PolarHBondContact N-O 2.93Å; I694-L719 PolarHBondContact O-N 3.5Å; I696-L719 HydrophobicContact CD1-CD1 4.33Å; L719-V733 HydrophobicContact CB-CG1 4.36Å; L719-V733 HydrophobicContact CD2-CG1 3.98Å; L719-C734 CarbonylContact C-O 3.59Å; L719-C734 WeakPolarHBondContact CA-O 3.31Å |
| 720 | D | 69.6 | Low | 62.6 | Low | 32 Ų | 32 | 70.2 Ų | 70.2 | 17% | 0.171 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 110.6 | 168.2 | -177.7 | -0.8 | 0 | 0 | 0 | 108.6 | R722 C734 | D720-R722 VanDerWaalsContact OD1-CG 3.27Å; D720-R722 WeakPolarHBondContact OD1-CG 3.27Å; D720-R722 IonicContact OD1-NE 2.76Å; D720-R722 PolarHBondContact OD1-NE 2.47Å; D720-R722 IonicContact OD2-CZ 3.6Å; D720-R722 IonicContact OD2-NE 3.33Å; D720-R722 PolarHBondContact OD2-NE 3.49Å; D720-R722 IonicContact OD2-NH2 3.56Å; D720-R722 PolarHBondContact OD2-NH2 3.11Å; D720-C734 PolarHBondContact N-O 3.15Å; D720-C734 PolarHBondContact O-N 3.19Å |
| 721 | V | 64.3 | Low | 61.9 | Low | 16 Ų | 16 | 70.1 Ų | 70.1 | 10% | 0.097 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 108.4 | 179.1 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | L692 I694 Y723 L731 V733 | L692-V721 HydrophobicContact CB-CB 4.29Å; L692-V721 PolarHBondContact N-O 2.75Å; L692-V721 VanDerWaalsContact N-O 3.11Å; L692-V721 PolarHBondContact O-N 2.69Å; I694-V721 HydrophobicContact CD1-CG2 3.86Å; I694-V721 HydrophobicContact CG1-CG2 4.45Å; V721-Y723 HydrophobicContact CG1-CD2 4.35Å; V721-Y723 HydrophobicContact CG1-CE2 4.02Å; V721-L731 HydrophobicContact CG1-CD1 3.67Å; V721-V733 HydrophobicContact CG1-CG2 4.41Å; V721-V733 HydrophobicContact CG2-CG1 4.29Å; V721-V733 HydrophobicContact CG2-CG2 4.26Å |
| 722 | R | 61.7 | Low | 61.1 | Low | 145 Ų | 145 | 71.4 Ų | 71.4 | 55% | 0.547 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.8 | 177 | -58 | -172.5 | -169.2 | 174.6 | 2.5 | 111 | D720 N732 | D720-R722 VanDerWaalsContact OD1-CG 3.27Å; D720-R722 WeakPolarHBondContact OD1-CG 3.27Å; D720-R722 IonicContact OD1-NE 2.76Å; D720-R722 PolarHBondContact OD1-NE 2.47Å; D720-R722 IonicContact OD2-CZ 3.6Å; D720-R722 IonicContact OD2-NE 3.33Å; D720-R722 PolarHBondContact OD2-NE 3.49Å; D720-R722 IonicContact OD2-NH2 3.56Å; D720-R722 PolarHBondContact OD2-NH2 3.11Å; R722-N732 PolarHBondContact N-O 2.85Å; R722-N732 PolarHBondContact O-N 3.48Å |
| 723 | Y | 55.1 | Low | 60.6 | Low | 91 Ų | 91 | 69 Ų | 69 | 36% | 0.357 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 116.5 | 166 | -80 | -91.7 | 0 | 0 | 0 | 109 | V721 L731 | V721-Y723 HydrophobicContact CG1-CD2 4.35Å; V721-Y723 HydrophobicContact CG1-CE2 4.02Å; Y723-L731 HydrophobicContact CD1-CD1 4.31Å; Y723-L731 HydrophobicContact CD2-CD1 4.08Å; Y723-L731 HydrophobicContact CE1-CD1 3.83Å; Y723-L731 HydrophobicContact CE2-CD1 3.57Å; Y723-L731 HydrophobicContact CG-CD1 4.43Å; Y723-L731 VanDerWaalsContact CZ-CD1 3.44Å |
| 724 | A | 53.3 | Low | 60.2 | Low | 59 Ų | 59 | 69.4 Ų | 69.4 | 49% | 0.488 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | V730 | A724-V730 PolarHBondContact N-O 2.84Å |
| 725 | Q | 42.3 | Very low | 60.4 | Low | 102 Ų | 102 | 68.6 Ų | 68.6 | 48% | 0.477 | 34% | 0.34 | S | S | . | . | trans | -98 | 3.1 | 177.6 | -141.4 | -170.1 | 19.2 | 0 | 0 | 113.9 | T688 R727 | T688-Q725 HydrophobicContact CG2-CB 4.05Å; T688-Q725 HydrophobicContact CG2-CG 3.76Å; T688-Q725 PolarHBondContact OG1-OE1 3.2Å; Q725-R727 PolarHBondContact O-N 3.43Å | ||
| 726 | D | 45.7 | Very low | 60.7 | Low | 155 Ų | 155 | 71.4 Ų | 71.4 | 83% | 0.829 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -71.3 | 81.9 | -176.4 | -132.2 | 1.8 | 0 | 0 | 0 | 110.3 | R728 | D726-R728 PolarHBondContact O-N 3.06Š|
| 727 | R | 43.5 | Very low | 61.1 | Low | 247 Ų | 247 | 69.3 Ų | 69.3 | 93% | 0.932 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 58.3 | -3.1 | -179.7 | -58.6 | -172.6 | 179.2 | -167.1 | -0.5 | 118.1 | Q725 | Q725-R727 PolarHBondContact O-N 3.43Š|
| 728 | R | 45.6 | Very low | 61.5 | Low | 120 Ų | 120 | 72 Ų | 72 | 45% | 0.453 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -133.3 | 117.6 | 176.5 | -58.6 | -177 | -177 | 172.9 | 3.8 | 108.4 | D726 V730 | D726-R728 PolarHBondContact O-N 3.06Å; R728-V730 HydrophobicContact CB-CG2 3.63Å; R728-V730 PolarHBondContact O-N 3.15Å |
| 729 | S | 49.4 | Very low | 61.8 | Low | 63 Ų | 63 | 69.1 Ų | 69.1 | 44% | 0.441 | 34% | 0.336 | S | S | . | . | trans | -68.7 | 75.8 | 172.9 | 53.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 730 | V | 50.2 | Low | 62.4 | Low | 31 Ų | 31 | 69.4 Ų | 69.4 | 19% | 0.188 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 118.6 | -179 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | A724 R728 L766 T767 | A724-V730 PolarHBondContact N-O 2.84Å; R728-V730 HydrophobicContact CB-CG2 3.63Å; R728-V730 PolarHBondContact O-N 3.15Å; V730-L766 HydrophobicContact CG1-CD2 3.93Å; V730-T767 WeakPolarHBondContact CA-O 3.26Å |
| 731 | L | 56.1 | Low | 63 | Low | 30 Ų | 30 | 67.9 Ų | 67.9 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.7 | 164.6 | 178.6 | 65 | 0 | 0 | 0 | 107.8 | V721 Y723 V733 L765 L766 T767 | V721-L731 HydrophobicContact CG1-CD1 3.67Å; Y723-L731 HydrophobicContact CD1-CD1 4.31Å; Y723-L731 HydrophobicContact CD2-CD1 4.08Å; Y723-L731 HydrophobicContact CE1-CD1 3.83Å; Y723-L731 HydrophobicContact CE2-CD1 3.57Å; Y723-L731 HydrophobicContact CG-CD1 4.43Å; Y723-L731 VanDerWaalsContact CZ-CD1 3.44Å; L731-V733 HydrophobicContact CD1-CG2 4.39Å; L731-V733 HydrophobicContact CD2-CG2 4.33Å; L731-V733 HydrophobicContact CG-CG2 4.13Å; L731-L765 VanDerWaalsContact O-O 3.1Å; L731-L766 WeakPolarHBondContact O-CA 3.37Å; L731-T767 PolarHBondContact N-O 2.89Å; L731-T767 VanDerWaalsContact N-O 3.12Å; L731-T767 PolarHBondContact O-N 3.01Å; L731-T767 VanDerWaalsContact O-N 3.08Å |
| 732 | N | 59.4 | Low | 63.8 | Low | 39 Ų | 39 | 68.8 Ų | 68.8 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.3 | 171.5 | -165.9 | 20.2 | 0 | 0 | 0 | 109 | R722 L765 L766 | R722-N732 PolarHBondContact N-O 2.85Å; R722-N732 PolarHBondContact O-N 3.48Å; N732-L765 WeakPolarHBondContact CA-O 3.29Å; N732-L766 HydrophobicContact CB-CD2 4Å; N732-L766 VanDerWaalsContact OD1-CD2 3.29Å; N732-L766 WeakPolarHBondContact OD1-CD2 3.38Å |
| 733 | V | 65 | Low | 64.5 | Low | 20 Ų | 20 | 62.2 Ų | 62.2 | 12% | 0.121 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 114.5 | 170.3 | -174.8 | 0 | 0 | 0 | 0 | 107.4 | L719 V721 L731 L764 L765 | L719-V733 HydrophobicContact CB-CG1 4.36Å; L719-V733 HydrophobicContact CD2-CG1 3.98Å; V721-V733 HydrophobicContact CG1-CG2 4.41Å; V721-V733 HydrophobicContact CG2-CG1 4.29Å; V721-V733 HydrophobicContact CG2-CG2 4.26Å; L731-V733 HydrophobicContact CD1-CG2 4.39Å; L731-V733 HydrophobicContact CD2-CG2 4.33Å; L731-V733 HydrophobicContact CG-CG2 4.13Å; V733-L764 WeakPolarHBondContact O-CA 3.15Å; V733-L765 HydrophobicContact CB-CB 4.15Å; V733-L765 HydrophobicContact CG2-CD2 4.26Å; V733-L765 PolarHBondContact N-O 2.78Å; V733-L765 VanDerWaalsContact N-O 3.08Å; V733-L765 PolarHBondContact O-N 2.74Å |
| 734 | C | 68.6 | Low | 65.4 | Low | 42 Ų | 42 | 58.9 Ų | 58.9 | 28% | 0.284 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 137.5 | 175.7 | -66.3 | 0 | 0 | 0 | 0 | 109.2 | L719 D720 L763 | L719-C734 CarbonylContact C-O 3.59Å; L719-C734 WeakPolarHBondContact CA-O 3.31Å; D720-C734 PolarHBondContact N-O 3.15Å; D720-C734 PolarHBondContact O-N 3.19Å; C734-L763 VanDerWaalsContact CA-O 3.28Å; C734-L763 WeakPolarHBondContact CA-O 3.42Å |
| 735 | G | 75.9 | Confident | 66.1 | Low | 14 Ų | 14 | 56.2 Ų | 56.2 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.4 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E718 L763 | E718-G735 WeakPolarHBondContact O-CA 3.38Å; G735-L763 PolarHBondContact N-O 3.49Å; G735-L763 PolarHBondContact O-N 3.49Å |
| 736 | H | 80.1 | Confident | 67 | Low | 78 Ų | 78 | 54.1 Ų | 54.1 | 36% | 0.361 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 148.1 | 173.5 | 60.7 | -90.6 | 0 | 0 | 0 | 109.4 | A717 E718 I760 R761 | A717-H736 WeakPolarHBondContact CA-O 3.23Å; E718-H736 VanDerWaalsContact CD-CE1 3.44Å; E718-H736 PolarHBondContact N-O 3.49Å; E718-H736 PolarHBondContact O-N 2.95Å; E718-H736 IonicContact OE2-CE1 3.56Å; E718-H736 PolarHBondContact OE2-CE1 3.3Å; E718-H736 IonicContact OE2-NE2 3.54Å; H736-I760 VanDerWaalsContact CA-O 3.27Å; H736-I760 WeakPolarHBondContact CA-O 3.18Å; H736-I760 WeakPolarHBondContact CB-O 3.29Å; H736-R761 WeakPolarHBondContact CB-O 3.46Å |
| 737 | F | 81.6 | Confident | 67.6 | Low | 29 Ų | 29 | 52.9 Ų | 52.9 | 13% | 0.127 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 162.1 | 176.7 | 63.5 | -83.5 | 0 | 0 | 0 | 111.1 | V714 A717 L739 I760 L763 | V714-F737 HydrophobicContact CG1-CB 3.87Å; V714-F737 HydrophobicContact CG1-CD2 3.98Å; V714-F737 HydrophobicContact CG1-CG 4.17Å; A717-F737 HydrophobicContact CB-CB 3.74Å; F737-L739 HydrophobicContact CD2-CB 4.38Å; F737-L739 HydrophobicContact CE2-CB 4.07Å; F737-L739 HydrophobicContact CE2-CD1 4.49Å; F737-I760 HydrophobicContact CD1-CB 4.37Å; F737-I760 HydrophobicContact CE1-CB 4.04Å; F737-I760 HydrophobicContact CE1-CD1 3.94Å; F737-I760 HydrophobicContact CE1-CG2 4.11Å; F737-I760 HydrophobicContact CE2-CD1 3.74Å; F737-I760 HydrophobicContact CZ-CB 4.2Å; F737-I760 HydrophobicContact CZ-CD1 3.29Å; F737-I760 HydrophobicContact CZ-CG1 4.25Å; F737-I760 PolarHBondContact N-O 2.79Å; F737-I760 VanDerWaalsContact N-O 3.13Å; F737-I760 PolarHBondContact O-N 2.85Å; F737-L763 HydrophobicContact CE1-CB 3.97Å; F737-L763 HydrophobicContact CE1-CD2 3.76Å; F737-L763 HydrophobicContact CE1-CG 4.29Å |
| 738 | K | 79.8 | Confident | 68.3 | Low | 58 Ų | 58 | 44.5 Ų | 44.5 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 121.2 | 170.5 | -59.4 | -172.9 | -179.3 | 151 | 0 | 109.8 | V714 A715 D716 E759 | V714-K738 WeakPolarHBondContact CA-O 3.47Å; A715-K738 PolarHBondContact N-O 3.47Å; A715-K738 PolarHBondContact O-N 3.4Å; D716-K738 WeakPolarHBondContact OD2-CD 3.41Å; D716-K738 VanDerWaalsContact OD2-CE 3.31Å; D716-K738 WeakPolarHBondContact OD2-CE 3.26Å; D716-K738 IonicContact OD2-NZ 3.73Å; D716-K738 PolarHBondContact OD2-NZ 3.09Å; K738-E759 HydrophobicContact CD-CG 4.44Å; K738-E759 WeakPolarHBondContact CE-OE1 3.01Å; K738-E759 HydrophobicContact CG-CG 4.16Å |
| 739 | L | 80.4 | Confident | 69 | Low | 45 Ų | 45 | 43.7 Ų | 43.7 | 24% | 0.236 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.5 | 172.4 | -171.4 | 73.8 | 0 | 0 | 0 | 110.1 | V714 F737 M758 | V714-L739 HydrophobicContact CG2-CD1 4.16Å; F737-L739 HydrophobicContact CD2-CB 4.38Å; F737-L739 HydrophobicContact CE2-CB 4.07Å; F737-L739 HydrophobicContact CE2-CD1 4.49Å; L739-M758 HydrophobicContact CB-CB 4.37Å; L739-M758 HydrophobicContact CB-CE 4.01Å; L739-M758 HydrophobicContact CD2-CE 3.45Å; L739-M758 VanDerWaalsContact CD2-CE 3.45Å; L739-M758 HydrophobicContact CG-CE 4.36Å; L739-M758 PolarHBondContact N-O 3.36Å; L739-M758 PolarHBondContact O-N 3.23Å |
| 740 | L | 82.9 | Confident | 69.5 | Low | 41 Ų | 41 | 41.2 Ų | 41.2 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 150.6 | 175.8 | -55.6 | 154.4 | 0 | 0 | 0 | 108.4 | Y713 V755 E756 E757 | Y713-L740 HydrophobicContact CD2-CB 3.88Å; Y713-L740 HydrophobicContact CG-CB 4.37Å; Y713-L740 PolarHBondContact N-O 3.37Å; Y713-L740 PolarHBondContact O-N 3.12Å; L740-V755 WeakPolarHBondContact CA-O 3.2Å; L740-E756 WeakPolarHBondContact CD2-O 3.23Å; L740-E757 HydrophobicContact CD2-CB 4.35Å; L740-E757 HydrophobicContact CD2-CG 4.43Å |
| 741 | S | 82.7 | Confident | 70.5 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 130.8 | 172.6 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | N711 L754 V755 | N711-S741 VanDerWaalsContact O-CA 3.26Å; N711-S741 WeakPolarHBondContact O-CA 3.15Å; N711-S741 PolarHBondContact O-OG 3.09Å; S741-L754 WeakPolarHBondContact O-CA 3.4Å; S741-L754 WeakPolarHBondContact O-CB 3.28Å; S741-L754 PolarHBondContact O-N 2.96Å; S741-V755 PolarHBondContact N-O 3.43Å; S741-V755 PolarHBondContact O-N 2.77Å |
| 742 | D | 80.6 | Confident | 71.4 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 19% | 0.187 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 143.4 | 173.3 | -62.6 | -31.9 | 0 | 0 | 0 | 110.1 | M710 N711 Y713 W751 E752 | M710-D742 WeakPolarHBondContact CA-O 3.47Å; N711-D742 PolarHBondContact N-O 2.95Å; N711-D742 PolarHBondContact O-N 3.33Å; Y713-D742 HydrophobicContact CE2-CB 4.1Å; Y713-D742 WeakPolarHBondContact CE2-OD2 3.25Å; Y713-D742 VanDerWaalsContact CZ-OD2 3.27Å; Y713-D742 PolarHBondContact OH-OD2 3.41Å; D742-W751 HydrophobicContact CB-CB 4.15Å; D742-W751 HydrophobicContact CB-CD2 4.22Å; D742-W751 HydrophobicContact CB-CE3 3.59Å; D742-W751 HydrophobicContact CB-CG 4.5Å; D742-W751 HydrophobicContact CB-CZ3 4.22Å; D742-W751 WeakPolarHBondContact O-CZ3 3.25Å; D742-E752 CarbonylContact C-O 3.59Å; D742-E752 WeakPolarHBondContact CA-O 3.46Å |
| 743 | F | 77.3 | Confident | 72.1 | Confident | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.1 | 173 | -174.1 | -92.2 | 0 | 0 | 0 | 109.4 | V709 M710 N745 E752 T793 Q796 | V709-F743 HydrophobicContact CG1-CE2 4.42Å; M710-F743 HydrophobicContact CG-CD2 3.72Å; M710-F743 HydrophobicContact CG-CE2 4.33Å; M710-F743 HydrophobicContact SD-CD2 4.24Å; F743-N745 PolarHBondContact O-N 2.79Å; F743-E752 PolarHBondContact N-O 3.34Å; F743-E752 PolarHBondContact O-N 2.87Å; F743-T793 HydrophobicContact CB-CG2 4.2Å; F743-T793 HydrophobicContact CD1-CG2 3.94Å; F743-T793 HydrophobicContact CD2-CG2 3.89Å; F743-T793 HydrophobicContact CE1-CG2 4.33Å; F743-T793 HydrophobicContact CE2-CG2 4.29Å; F743-T793 HydrophobicContact CG-CG2 3.71Å; F743-T793 HydrophobicContact CZ-CG2 4.5Å; F743-Q796 HydrophobicContact CE1-CB 4.2Å; F743-Q796 HydrophobicContact CE1-CG 4.46Å; F743-Q796 VanDerWaalsContact CE1-OE1 3.29Å; F743-Q796 HydrophobicContact CZ-CB 3.68Å; F743-Q796 HydrophobicContact CZ-CG 4.31Å; F743-Q796 VanDerWaalsContact CZ-OE1 3.23Å |
| 744 | Y | 74 | Confident | 72.8 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 8% | 0.082 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 119.8 | 179.6 | 175.5 | -97.3 | 0 | 0 | 0 | 110.2 | K707 V708 V709 P746 D749 W751 | K707-Y744 HydrophobicContact CB-CE1 4.1Å; K707-Y744 HydrophobicContact CD-CE1 3.83Å; K707-Y744 PolarHBondContact NZ-OH 3.3Å; V708-Y744 VanDerWaalsContact O-CB 3.24Å; V708-Y744 WeakPolarHBondContact O-CB 3.48Å; V708-Y744 WeakPolarHBondContact O-CD1 3.45Å; V708-Y744 VanDerWaalsContact O-CG 3.26Å; V709-Y744 PolarHBondContact O-N 3.41Å; Y744-P746 HydrophobicContact CE1-CB 4.09Å; Y744-P746 VanDerWaalsContact O-CD 3.3Å; Y744-P746 WeakPolarHBondContact O-CD 3.38Å; Y744-D749 WeakPolarHBondContact CE2-OD1 3.35Å; Y744-D749 PolarHBondContact OH-OD1 2.85Å; Y744-D749 PolarHBondContact OH-OD2 2.82Å; Y744-W751 HydrophobicContact CD2-CD2 4.39Å |
| 745 | N | 66.5 | Low | 73.4 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.011 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 106.7 | 176.9 | -170.7 | -18.9 | 0 | 0 | 0 | 110.3 | F743 N747 F748 D749 A750 E752 | F743-N745 PolarHBondContact O-N 2.79Å; N745-N747 PolarHBondContact O-N 2.82Å; N745-N747 VanDerWaalsContact O-N 3.15Å; N745-N747 WeakPolarHBondContact OD1-CB 3.5Å; N745-N747 PolarHBondContact OD1-N 2.6Å; N745-N747 VanDerWaalsContact OD1-N 3.11Å; N745-F748 HydrophobicContact CB-CD2 4.36Å; N745-F748 WeakPolarHBondContact ND2-CD2 3.5Å; N745-F748 PolarHBondContact O-N 3.3Å; N745-D749 PolarHBondContact O-N 3.43Å; N745-A750 PolarHBondContact N-O 2.81Å; N745-A750 PolarHBondContact O-N 2.64Å; N745-E752 HydrophobicContact CB-CG 3.99Å; N745-E752 VanDerWaalsContact CB-OE2 3.29Å; N745-E752 WeakPolarHBondContact CB-OE2 3.07Å; N745-E752 PolarHBondContact ND2-OE2 3.3Å |
| 746 | P | 61.2 | Low | 73.4 | Confident | 58 Ų | 58 | 39.7 Ų | 39.7 | 38% | 0.377 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.6 | -176 | 28.9 | -35.6 | 0 | 0 | 0 | 113.5 | Y744 F748 | Y744-P746 HydrophobicContact CE1-CB 4.09Å; Y744-P746 VanDerWaalsContact O-CD 3.3Å; Y744-P746 WeakPolarHBondContact O-CD 3.38Å; P746-F748 VanDerWaalsContact C-N 3.34Å |
| 747 | N | 59.7 | Low | 73.1 | Confident | 130 Ų | 130 | 39.1 Ų | 39.1 | 70% | 0.695 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -30.3 | 177.7 | -63.8 | -28.9 | 0 | 0 | 0 | 112.2 | N745 | N745-N747 PolarHBondContact O-N 2.82Å; N745-N747 VanDerWaalsContact O-N 3.15Å; N745-N747 WeakPolarHBondContact OD1-CB 3.5Å; N745-N747 PolarHBondContact OD1-N 2.6Å; N745-N747 VanDerWaalsContact OD1-N 3.11Å |
| 748 | F | 58.2 | Low | 72.9 | Confident | 70 Ų | 70 | 38.9 Ų | 38.9 | 31% | 0.307 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -4.6 | -179.1 | -57.9 | -64.3 | 0 | 0 | 0 | 113.1 | N745 P746 A750 L2125 T2126 | N745-F748 HydrophobicContact CB-CD2 4.36Å; N745-F748 WeakPolarHBondContact ND2-CD2 3.5Å; N745-F748 PolarHBondContact O-N 3.3Å; P746-F748 VanDerWaalsContact C-N 3.34Å; F748-A750 HydrophobicContact CB-CB 4.38Å; F748-A750 PolarHBondContact O-N 2.99Å; F748-L2125 HydrophobicContact CD1-CB 3.86Å; F748-L2125 HydrophobicContact CE1-CB 3.9Å; F748-T2126 HydrophobicContact CB-CG2 3.93Å; F748-T2126 HydrophobicContact CD2-CG2 4.24Å; F748-T2126 HydrophobicContact CG-CG2 4.3Å |
| 749 | D | 58.6 | Low | 72.8 | Confident | 103 Ų | 103 | 38.2 Ų | 38.2 | 55% | 0.551 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 41.6 | -172.9 | -147 | -32 | 0 | 0 | 0 | 112.6 | K707 Y744 N745 | K707-D749 IonicContact NZ-OD1 3.81Å; K707-D749 IonicContact NZ-OD2 3.54Å; K707-D749 PolarHBondContact NZ-OD2 3.46Å; K707-D749 VanDerWaalsContact NZ-OD2 3.08Å; Y744-D749 WeakPolarHBondContact CE2-OD1 3.35Å; Y744-D749 PolarHBondContact OH-OD1 2.85Å; Y744-D749 PolarHBondContact OH-OD2 2.82Å; N745-D749 PolarHBondContact O-N 3.43Å |
| 750 | A | 61.7 | Low | 72.7 | Confident | 12 Ų | 12 | 36.7 Ų | 36.7 | 10% | 0.099 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 158.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N745 F748 T2126 | N745-A750 PolarHBondContact N-O 2.81Å; N745-A750 PolarHBondContact O-N 2.64Å; F748-A750 HydrophobicContact CB-CB 4.38Å; F748-A750 PolarHBondContact O-N 2.99Å; A750-T2126 HydrophobicContact CB-CG2 3.5Å |
| 751 | W | 71.1 | Confident | 72.4 | Confident | 85 Ų | 85 | 41.6 Ų | 41.6 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 136.4 | 177.1 | -67.4 | 105.1 | 0 | 0 | 0 | 111.5 | V708 N711 D742 Y744 | V708-W751 HydrophobicContact CB-CH2 3.95Å; V708-W751 HydrophobicContact CB-CZ2 3.87Å; V708-W751 HydrophobicContact CG1-CH2 3.09Å; V708-W751 HydrophobicContact CG1-CZ2 3.34Å; V708-W751 HydrophobicContact CG1-CZ3 4.22Å; V708-W751 HydrophobicContact CG2-CZ2 4.41Å; N711-W751 HydrophobicContact CB-CE3 4.4Å; N711-W751 HydrophobicContact CB-CH2 3.48Å; N711-W751 VanDerWaalsContact CB-CH2 3.48Å; N711-W751 HydrophobicContact CB-CZ2 4.1Å; N711-W751 HydrophobicContact CB-CZ3 3.7Å; D742-W751 HydrophobicContact CB-CB 4.15Å; D742-W751 HydrophobicContact CB-CD2 4.22Å; D742-W751 HydrophobicContact CB-CE3 3.59Å; D742-W751 HydrophobicContact CB-CG 4.5Å; D742-W751 HydrophobicContact CB-CZ3 4.22Å; D742-W751 WeakPolarHBondContact O-CZ3 3.25Å; Y744-W751 HydrophobicContact CD2-CD2 4.39Å |
| 752 | E | 73.8 | Confident | 72.1 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.2 | 173.4 | -58.9 | -170.8 | 128.2 | 0 | 0 | 109.7 | D742 F743 N745 M790 T2126 | D742-E752 CarbonylContact C-O 3.59Å; D742-E752 WeakPolarHBondContact CA-O 3.46Å; F743-E752 PolarHBondContact N-O 3.34Å; F743-E752 PolarHBondContact O-N 2.87Å; N745-E752 HydrophobicContact CB-CG 3.99Å; N745-E752 VanDerWaalsContact CB-OE2 3.29Å; N745-E752 WeakPolarHBondContact CB-OE2 3.07Å; N745-E752 PolarHBondContact ND2-OE2 3.3Å; E752-M790 HydrophobicContact CB-CE 3.37Å; E752-M790 HydrophobicContact CB-SD 3.69Å; E752-M790 VanDerWaalsContact CD-SD 3.56Å; E752-M790 HydrophobicContact CG-CE 4.37Å; E752-M790 HydrophobicContact CG-SD 4.19Å; E752-T2126 HydrophobicContact CG-CG2 3.89Å |
| 753 | P | 74.4 | Confident | 72 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 134.2 | -175.5 | 28.1 | -33.5 | 0 | 0 | 0 | 112 | E756 M790 V2127 | P753-E756 HydrophobicContact CB-CG 3.57Å; P753-E756 HydrophobicContact CG-CG 4.09Å; P753-M790 WeakPolarHBondContact O-CE 3.2Å; P753-V2127 WeakPolarHBondContact CD-O 3.39Å |
| 754 | L | 80.8 | Confident | 72 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -51.2 | 169.6 | 178.4 | 68.9 | 0 | 0 | 0 | 110.6 | M710 S741 F787 T788 T793 | M710-L754 HydrophobicContact SD-CD2 4.14Å; S741-L754 WeakPolarHBondContact O-CA 3.4Å; S741-L754 WeakPolarHBondContact O-CB 3.28Å; S741-L754 PolarHBondContact O-N 2.96Å; L754-F787 WeakPolarHBondContact O-CA 3.21Å; L754-T788 PolarHBondContact O-N 2.88Å; L754-T793 HydrophobicContact CD1-CG2 4.3Å |
| 755 | V | 79.7 | Confident | 72.1 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 105.5 | 172.6 | -176.1 | 0 | 0 | 0 | 0 | 106.9 | L740 S741 M758 F787 | L740-V755 WeakPolarHBondContact CA-O 3.2Å; S741-V755 PolarHBondContact N-O 3.43Å; S741-V755 PolarHBondContact O-N 2.77Å; V755-M758 HydrophobicContact CG1-CB 3.99Å; V755-F787 HydrophobicContact CG1-CE1 4.27Å; V755-F787 HydrophobicContact CG2-CD1 3.81Å; V755-F787 HydrophobicContact CG2-CE1 3.64Å |
| 756 | E | 75.4 | Confident | 72.3 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -39.5 | -170.4 | -77.5 | -172.2 | -150.7 | 0 | 0 | 113.5 | L740 P753 E786 T788 R2118 K2129 Y2130 | L740-E756 WeakPolarHBondContact CD2-O 3.23Å; P753-E756 HydrophobicContact CB-CG 3.57Å; P753-E756 HydrophobicContact CG-CG 4.09Å; E756-E786 HydrophobicContact CB-CB 4.13Å; E756-E786 PolarHBondContact N-O 3.07Å; E756-T788 PolarHBondContact OE1-OG1 3.36Å; E756-R2118 IonicContact OE1-CZ 3.57Å; E756-R2118 IonicContact OE1-NH1 3.84Å; E756-R2118 PolarHBondContact OE1-NH1 2.7Å; E756-R2118 IonicContact OE1-NH2 2.67Å; E756-R2118 PolarHBondContact OE1-NH2 3.41Å; E756-R2118 IonicContact OE2-NH2 3.79Å; E756-K2129 HydrophobicContact CB-CG 4.26Å; E756-K2129 HydrophobicContact CG-CG 4.23Å; E756-K2129 VanDerWaalsContact O-CE 3.27Å; E756-K2129 WeakPolarHBondContact O-CE 3.3Å; E756-K2129 PolarHBondContact O-NZ 2.94Å; E756-K2129 WeakPolarHBondContact OE2-CG 3.49Å; E756-Y2130 WeakPolarHBondContact OE2-CB 3.44Å; E756-Y2130 PolarHBondContact OE2-N 2.8Å |
| 757 | E | 74.3 | Confident | 72.5 | Confident | 67 Ų | 67 | 46.1 Ų | 46.1 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | 117.6 | 171.7 | -158.3 | 158.5 | 173.1 | 0 | 0 | 108.9 | L740 E759 S785 E786 K2129 | L740-E757 HydrophobicContact CD2-CB 4.35Å; L740-E757 HydrophobicContact CD2-CG 4.43Å; E757-E759 HydrophobicContact CG-CG 4.36Å; E757-S785 WeakPolarHBondContact O-CA 3.45Å; E757-E786 PolarHBondContact O-N 2.84Å; E757-K2129 IonicContact OE2-NZ 2.97Å; E757-K2129 PolarHBondContact OE2-NZ 3.06Å |
| 758 | M | 77.8 | Confident | 73 | Confident | 24 Ų | 24 | 40.8 Ų | 40.8 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 99.6 | 170.8 | -175.2 | 176.3 | 80.7 | 0 | 0 | 108.6 | L739 V755 I760 F787 I1722 | L739-M758 HydrophobicContact CB-CB 4.37Å; L739-M758 HydrophobicContact CB-CE 4.01Å; L739-M758 HydrophobicContact CD2-CE 3.45Å; L739-M758 VanDerWaalsContact CD2-CE 3.45Å; L739-M758 HydrophobicContact CG-CE 4.36Å; L739-M758 PolarHBondContact N-O 3.36Å; L739-M758 PolarHBondContact O-N 3.23Å; V755-M758 HydrophobicContact CG1-CB 3.99Å; M758-I760 HydrophobicContact CE-CD1 3.74Å; M758-I760 HydrophobicContact CE-CG1 4.24Å; M758-F787 HydrophobicContact SD-CZ 4.21Å; M758-I1722 HydrophobicContact SD-CD1 4.4Å |
| 759 | E | 78 | Confident | 73.1 | Confident | 43 Ų | 43 | 42.8 Ų | 42.8 | 20% | 0.201 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 116.6 | 176.5 | -62 | -173.4 | 143.3 | 0 | 0 | 110 | K738 E757 G780 S781 N783 | K738-E759 HydrophobicContact CD-CG 4.44Å; K738-E759 WeakPolarHBondContact CE-OE1 3.01Å; K738-E759 HydrophobicContact CG-CG 4.16Å; E757-E759 HydrophobicContact CG-CG 4.36Å; E759-G780 CarbonylContact O-C 3.55Å; E759-G780 WeakPolarHBondContact O-CA 3.49Å; E759-S781 WeakPolarHBondContact CB-OG 3.41Å; E759-S781 PolarHBondContact O-N 2.78Å; E759-S781 VanDerWaalsContact OE2-CB 3.22Å; E759-S781 WeakPolarHBondContact OE2-CB 3.36Å; E759-S781 PolarHBondContact OE2-OG 2.77Å; E759-N783 PolarHBondContact OE2-ND2 2.71Å |
| 760 | I | 78.6 | Confident | 73.2 | Confident | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 111.6 | 170.3 | -66 | 170.5 | 0 | 0 | 0 | 107.4 | H736 F737 M758 L763 A778 | H736-I760 VanDerWaalsContact CA-O 3.27Å; H736-I760 WeakPolarHBondContact CA-O 3.18Å; H736-I760 WeakPolarHBondContact CB-O 3.29Å; F737-I760 HydrophobicContact CD1-CB 4.37Å; F737-I760 HydrophobicContact CE1-CB 4.04Å; F737-I760 HydrophobicContact CE1-CD1 3.94Å; F737-I760 HydrophobicContact CE1-CG2 4.11Å; F737-I760 HydrophobicContact CE2-CD1 3.74Å; F737-I760 HydrophobicContact CZ-CB 4.2Å; F737-I760 HydrophobicContact CZ-CD1 3.29Å; F737-I760 HydrophobicContact CZ-CG1 4.25Å; F737-I760 PolarHBondContact N-O 2.79Å; F737-I760 VanDerWaalsContact N-O 3.13Å; F737-I760 PolarHBondContact O-N 2.85Å; M758-I760 HydrophobicContact CE-CD1 3.74Å; M758-I760 HydrophobicContact CE-CG1 4.24Å; I760-L763 HydrophobicContact CG2-CB 4.1Å; I760-A778 HydrophobicContact CG2-CB 4.21Å |
| 761 | R | 75.9 | Confident | 73.2 | Confident | 145 Ų | 145 | 48 Ų | 48 | 55% | 0.547 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -40.8 | -180 | -79.3 | -170.8 | 174.8 | -171 | -1.4 | 112.6 | H736 F779 | H736-R761 WeakPolarHBondContact CB-O 3.46Å; R761-F779 PolarHBondContact N-O 2.8Å |
| 762 | N | 76.1 | Confident | 72.9 | Confident | 87 Ų | 87 | 54.1 Ų | 54.1 | 47% | 0.465 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 102.9 | -178.1 | -71.3 | -26.1 | 0 | 0 | 0 | 108.4 | A778 F779 | N762-A778 WeakPolarHBondContact O-CA 3.41Å; N762-F779 HydrophobicContact CB-CB 4.33Å; N762-F779 HydrophobicContact CB-CD2 3.98Å; N762-F779 PolarHBondContact O-N 3.26Å |
| 763 | L | 78.9 | Confident | 72.6 | Confident | 32 Ų | 32 | 55 Ų | 55 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 132 | 161.6 | 179.5 | 72.6 | 0 | 0 | 0 | 108.5 | C734 G735 F737 I760 I776 A778 | C734-L763 VanDerWaalsContact CA-O 3.28Å; C734-L763 WeakPolarHBondContact CA-O 3.42Å; G735-L763 PolarHBondContact N-O 3.49Å; G735-L763 PolarHBondContact O-N 3.49Å; F737-L763 HydrophobicContact CE1-CB 3.97Å; F737-L763 HydrophobicContact CE1-CD2 3.76Å; F737-L763 HydrophobicContact CE1-CG 4.29Å; I760-L763 HydrophobicContact CG2-CB 4.1Å; L763-I776 HydrophobicContact CD1-CG2 4.1Å; L763-A778 HydrophobicContact CD1-CB 4.2Å |
| 764 | L | 78.3 | Confident | 72.5 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 106.4 | 168.7 | 178.7 | 122.6 | 0 | 0 | 0 | 108.2 | V733 L766 L777 Q1705 | V733-L764 WeakPolarHBondContact O-CA 3.15Å; L764-L766 HydrophobicContact CD2-CD1 3.58Å; L764-L766 HydrophobicContact CD2-CG 3.7Å; L764-L766 HydrophobicContact CG-CD1 4.47Å; L764-L766 HydrophobicContact CG-CG 4.13Å; L764-L777 HydrophobicContact CB-CB 4.27Å; L764-L777 HydrophobicContact CB-CD2 4.41Å; L764-L777 HydrophobicContact CD2-CB 4.24Å; L764-L777 HydrophobicContact CD2-CD2 4.3Å; L764-L777 PolarHBondContact N-O 2.75Å; L764-L777 PolarHBondContact O-N 3.18Å; L764-Q1705 VanDerWaalsContact CD1-NE2 3.31Å; L764-Q1705 HydrophobicContact CD2-CG 4.31Å |
| 765 | L | 74.2 | Confident | 72.4 | Confident | 43 Ų | 43 | 56 Ų | 56 | 23% | 0.225 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 111.3 | 173.6 | 177.1 | 71 | 0 | 0 | 0 | 108.5 | L731 N732 V733 T774 I776 | L731-L765 VanDerWaalsContact O-O 3.1Å; N732-L765 WeakPolarHBondContact CA-O 3.29Å; V733-L765 HydrophobicContact CB-CB 4.15Å; V733-L765 HydrophobicContact CG2-CD2 4.26Å; V733-L765 PolarHBondContact N-O 2.78Å; V733-L765 VanDerWaalsContact N-O 3.08Å; V733-L765 PolarHBondContact O-N 2.74Å; L765-T774 HydrophobicContact CD1-CG2 3.57Å; L765-I776 HydrophobicContact CD1-CD1 4.28Å; L765-I776 HydrophobicContact CD1-CG1 3.71Å |
| 766 | L | 72.6 | Confident | 72.4 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 15% | 0.147 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 112.1 | 173.9 | -67.5 | 172.7 | 0 | 0 | 0 | 109.2 | V730 L731 N732 L764 N775 | V730-L766 HydrophobicContact CG1-CD2 3.93Å; L731-L766 WeakPolarHBondContact O-CA 3.37Å; N732-L766 HydrophobicContact CB-CD2 4Å; N732-L766 VanDerWaalsContact OD1-CD2 3.29Å; N732-L766 WeakPolarHBondContact OD1-CD2 3.38Å; L764-L766 HydrophobicContact CD2-CD1 3.58Å; L764-L766 HydrophobicContact CD2-CG 3.7Å; L764-L766 HydrophobicContact CG-CD1 4.47Å; L764-L766 HydrophobicContact CG-CG 4.13Å; L766-N775 HydrophobicContact CB-CB 4.29Å; L766-N775 PolarHBondContact N-O 2.76Å; L766-N775 PolarHBondContact O-N 2.79Å |
| 767 | T | 64.7 | Low | 72.6 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119 | 174.6 | -54.1 | 0 | 0 | 0 | 0 | 109.8 | V730 L731 | V730-T767 WeakPolarHBondContact CA-O 3.26Å; L731-T767 PolarHBondContact N-O 2.89Å; L731-T767 VanDerWaalsContact N-O 3.12Å; L731-T767 PolarHBondContact O-N 3.01Å; L731-T767 VanDerWaalsContact O-N 3.08Å |
| 768 | D | 69.2 | Low | 73 | Confident | 18 Ų | 18 | 54 Ų | 54 | 10% | 0.096 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 101.1 | 172 | -180 | -11.4 | 0 | 0 | 0 | 108.7 | A770 R771 R772 C773 | D768-A770 VanDerWaalsContact C-N 3.28Å; D768-A770 PolarHBondContact O-N 2.79Å; D768-A770 WeakPolarHBondContact OD1-CB 3.48Å; D768-A770 PolarHBondContact OD1-N 2.97Å; D768-R771 HydrophobicContact CB-CB 4.46Å; D768-R771 PolarHBondContact O-N 2.73Å; D768-R771 PolarHBondContact OD1-N 2.93Å; D768-R771 WeakPolarHBondContact OD2-CD 3.48Å; D768-R771 WeakPolarHBondContact OD2-CG 3.46Å; D768-R771 IonicContact OD2-NE 3.28Å; D768-R772 PolarHBondContact O-N 3.43Å; D768-R772 VanDerWaalsContact O-N 3.07Å; D768-C773 PolarHBondContact N-O 2.78Å; D768-C773 PolarHBondContact O-N 3.45Å |
| 769 | H | 61.1 | Low | 73.1 | Confident | 113 Ų | 113 | 54.1 Ų | 54.1 | 52% | 0.523 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -32.5 | -178.8 | -67.8 | -75 | 0 | 0 | 0 | 112.9 | R771 R772 | H769-R771 VanDerWaalsContact C-N 3.28Å; H769-R771 PolarHBondContact O-N 3.24Å; H769-R772 PolarHBondContact O-N 3.4Å |
| 770 | A | 60.8 | Low | 72.9 | Confident | 85 Ų | 85 | 52.5 Ų | 52.5 | 70% | 0.702 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -30.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D768 | D768-A770 VanDerWaalsContact C-N 3.28Å; D768-A770 PolarHBondContact O-N 2.79Å; D768-A770 WeakPolarHBondContact OD1-CB 3.48Å; D768-A770 PolarHBondContact OD1-N 2.97Å |
| 771 | R | 61.1 | Low | 72.7 | Confident | 139 Ų | 139 | 51.9 Ų | 51.9 | 53% | 0.525 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -4.7 | 178 | -68.5 | -175.3 | 176.5 | 177.7 | -0.3 | 114.3 | D768 H769 C773 | D768-R771 HydrophobicContact CB-CB 4.46Å; D768-R771 PolarHBondContact O-N 2.73Å; D768-R771 PolarHBondContact OD1-N 2.93Å; D768-R771 WeakPolarHBondContact OD2-CD 3.48Å; D768-R771 WeakPolarHBondContact OD2-CG 3.46Å; D768-R771 IonicContact OD2-NE 3.28Å; H769-R771 VanDerWaalsContact C-N 3.28Å; H769-R771 PolarHBondContact O-N 3.24Å; R771-C773 HydrophobicContact CB-CB 4.43Å; R771-C773 PolarHBondContact O-N 3.14Å |
| 772 | R | 64.2 | Low | 72 | Confident | 213 Ų | 213 | 48.1 Ų | 48.1 | 80% | 0.804 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 41.3 | -170.7 | -62.4 | -176.6 | 173.8 | -175.5 | -3.9 | 112.2 | D768 H769 | D768-R772 PolarHBondContact O-N 3.43Å; D768-R772 VanDerWaalsContact O-N 3.07Å; H769-R772 PolarHBondContact O-N 3.4Å |
| 773 | C | 67.8 | Low | 71.4 | Confident | 19 Ų | 19 | 48.8 Ų | 48.8 | 13% | 0.128 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 132 | 178.9 | 66.7 | 0 | 0 | 0 | 0 | 111.7 | D768 R771 G1714 I1715 | D768-C773 PolarHBondContact N-O 2.78Å; D768-C773 PolarHBondContact O-N 3.45Å; R771-C773 HydrophobicContact CB-CB 4.43Å; R771-C773 PolarHBondContact O-N 3.14Å; C773-G1714 WeakPolarHBondContact CB-O 3.45Å; C773-I1715 WeakPolarHBondContact CA-O 3.23Å |
| 774 | T | 73.2 | Confident | 70.5 | Confident | 39 Ų | 39 | 48.8 Ų | 48.8 | 24% | 0.239 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126.1 | 174.1 | -56 | 0 | 0 | 0 | 0 | 109.3 | L765 I776 I1715 L1716 S1717 | L765-T774 HydrophobicContact CD1-CG2 3.57Å; T774-I776 HydrophobicContact CG2-CG1 4.22Å; T774-I1715 PolarHBondContact N-O 2.97Å; T774-L1716 HydrophobicContact CG2-CD1 4.13Å; T774-L1716 WeakPolarHBondContact O-CA 3.21Å; T774-S1717 PolarHBondContact O-N 2.76Å |
| 775 | N | 77.7 | Confident | 70.3 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 11% | 0.107 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.5 | 175.9 | -67.6 | -33.4 | 0 | 0 | 0 | 108.8 | L766 L1708 S1717 | L766-N775 HydrophobicContact CB-CB 4.29Å; L766-N775 PolarHBondContact N-O 2.76Å; L766-N775 PolarHBondContact O-N 2.79Å; N775-L1708 HydrophobicContact CB-CD1 4.48Å; N775-L1708 HydrophobicContact CB-CD2 4.03Å; N775-S1717 CarbonylContact C-O 3.6Å; N775-S1717 WeakPolarHBondContact CA-O 3.28Å; N775-S1717 VanDerWaalsContact OD1-CB 3.27Å; N775-S1717 WeakPolarHBondContact OD1-CB 3.27Å |
| 776 | I | 81.3 | Confident | 70.6 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 121 | 176.9 | -52.2 | -176.3 | 0 | 0 | 0 | 107.5 | L763 L765 T774 L1716 S1717 C1718 C1719 F1720 | L763-I776 HydrophobicContact CD1-CG2 4.1Å; L765-I776 HydrophobicContact CD1-CD1 4.28Å; L765-I776 HydrophobicContact CD1-CG1 3.71Å; T774-I776 HydrophobicContact CG2-CG1 4.22Å; I776-L1716 HydrophobicContact CD1-CD1 4.2Å; I776-L1716 HydrophobicContact CG1-CD1 4.37Å; I776-S1717 PolarHBondContact N-O 3.46Å; I776-C1718 HydrophobicContact CB-CB 4.29Å; I776-C1718 CarbonylContact O-C 3.45Å; I776-C1718 WeakPolarHBondContact O-CA 3.05Å; I776-C1719 PolarHBondContact O-N 2.8Å; I776-F1720 HydrophobicContact CG2-CZ 4.36Å |
| 777 | L | 79.9 | Confident | 71.2 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122 | 172.6 | -172.8 | 96.2 | 0 | 0 | 0 | 107.3 | L764 F779 L1701 H1704 L1708 C1719 | L764-L777 HydrophobicContact CB-CB 4.27Å; L764-L777 HydrophobicContact CB-CD2 4.41Å; L764-L777 HydrophobicContact CD2-CB 4.24Å; L764-L777 HydrophobicContact CD2-CD2 4.3Å; L764-L777 PolarHBondContact N-O 2.75Å; L764-L777 PolarHBondContact O-N 3.18Å; L777-F779 HydrophobicContact CD1-CE2 4.36Å; L777-F779 HydrophobicContact CD1-CZ 4.26Å; L777-F779 HydrophobicContact CD2-CD2 4.22Å; L777-F779 HydrophobicContact CD2-CE2 3.31Å; L777-F779 HydrophobicContact CD2-CZ 3.91Å; L777-F779 HydrophobicContact CG-CD2 4.43Å; L777-F779 HydrophobicContact CG-CE2 3.72Å; L777-F779 HydrophobicContact CG-CZ 4.1Å; L777-L1701 HydrophobicContact CD2-CD1 3.55Å; L777-H1704 HydrophobicContact CD1-CB 3.83Å; L777-H1704 HydrophobicContact CD2-CB 4.46Å; L777-L1708 HydrophobicContact CB-CD1 4.2Å; L777-L1708 HydrophobicContact CD1-CD1 3.96Å; L777-C1719 WeakPolarHBondContact CA-O 3.08Å; L777-C1719 HydrophobicContact CD1-CB 3.98Å |
| 778 | A | 81.1 | Confident | 72.1 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 127.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I760 N762 L763 C1719 F1720 H1721 | I760-A778 HydrophobicContact CG2-CB 4.21Å; N762-A778 WeakPolarHBondContact O-CA 3.41Å; L763-A778 HydrophobicContact CD1-CB 4.2Å; A778-C1719 PolarHBondContact N-O 2.86Å; A778-F1720 HydrophobicContact CB-CD1 3.61Å; A778-F1720 HydrophobicContact CB-CE1 3.82Å; A778-F1720 WeakPolarHBondContact O-CA 2.77Å; A778-H1721 PolarHBondContact O-N 2.82Å |
| 779 | F | 80.4 | Confident | 72.7 | Confident | 26 Ų | 26 | 50.1 Ų | 50.1 | 11% | 0.114 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.9 | 172.9 | -62.5 | -82.4 | 0 | 0 | 0 | 110 | R761 N762 L777 F1700 L1701 H1721 | R761-F779 PolarHBondContact N-O 2.8Å; N762-F779 HydrophobicContact CB-CB 4.33Å; N762-F779 HydrophobicContact CB-CD2 3.98Å; N762-F779 PolarHBondContact O-N 3.26Å; L777-F779 HydrophobicContact CD1-CE2 4.36Å; L777-F779 HydrophobicContact CD1-CZ 4.26Å; L777-F779 HydrophobicContact CD2-CD2 4.22Å; L777-F779 HydrophobicContact CD2-CE2 3.31Å; L777-F779 HydrophobicContact CD2-CZ 3.91Å; L777-F779 HydrophobicContact CG-CD2 4.43Å; L777-F779 HydrophobicContact CG-CE2 3.72Å; L777-F779 HydrophobicContact CG-CZ 4.1Å; F779-F1700 AromaticContact CE1-CD1 3.99Å; F779-F1700 HydrophobicContact CE1-CD1 3.99Å; F779-F1700 AromaticContact CE1-CE1 3.95Å; F779-F1700 HydrophobicContact CE1-CE1 3.95Å; F779-F1700 HydrophobicContact CZ-CD1 4.21Å; F779-F1700 HydrophobicContact CZ-CE1 4.47Å; F779-L1701 HydrophobicContact CD2-CD1 4.41Å; F779-L1701 HydrophobicContact CE2-CD1 3.63Å; F779-L1701 HydrophobicContact CZ-CD1 4.46Å; F779-H1721 WeakPolarHBondContact CA-O 3.3Å; F779-H1721 HydrophobicContact CD1-CB 3.85Å; F779-H1721 HydrophobicContact CE1-CB 4.07Å |
| 780 | G | 73.7 | Confident | 73.6 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 9% | 0.093 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 161.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E759 H1721 | E759-G780 CarbonylContact O-C 3.55Å; E759-G780 WeakPolarHBondContact O-CA 3.49Å; G780-H1721 PolarHBondContact N-O 2.81Å |
| 781 | S | 74.4 | Confident | 74.5 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | trans | -73.4 | 159.2 | 169.9 | 93.6 | 0 | 0 | 0 | 0 | 111.4 | E759 N783 P1723 | E759-S781 WeakPolarHBondContact CB-OG 3.41Å; E759-S781 PolarHBondContact O-N 2.78Å; E759-S781 VanDerWaalsContact OE2-CB 3.22Å; E759-S781 WeakPolarHBondContact OE2-CB 3.36Å; E759-S781 PolarHBondContact OE2-OG 2.77Å; S781-N783 PolarHBondContact O-N 3.45Å; S781-N783 WeakPolarHBondContact OG-CB 3.29Å; S781-N783 PolarHBondContact OG-N 2.78Å; S781-P1723 WeakPolarHBondContact O-CD 3.19Å; S781-P1723 WeakPolarHBondContact O-CG 3.33Å | ||
| 782 | P | 60.8 | Low | 74.9 | Confident | 65 Ų | 65 | 35.2 Ų | 35.2 | 42% | 0.422 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -68.1 | -13.6 | 174.6 | 25.7 | -31.8 | 0 | 0 | 0 | 113.4 | N1724 | P782-N1724 PolarHBondContact O-ND2 3.47Š|
| 783 | N | 65.2 | Low | 75.2 | Confident | 101 Ų | 101 | 25.1 Ų | 25.1 | 54% | 0.54 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -69.7 | 143.6 | 171.6 | -63.1 | -22.8 | 0 | 0 | 0 | 109.1 | E759 S781 S785 | E759-N783 PolarHBondContact OE2-ND2 2.71Å; S781-N783 PolarHBondContact O-N 3.45Å; S781-N783 WeakPolarHBondContact OG-CB 3.29Å; S781-N783 PolarHBondContact OG-N 2.78Å; N783-S785 PolarHBondContact O-N 2.8Å |
| 784 | A | 59 | Low | 75.4 | Confident | 33 Ų | 33 | 26.1 Ų | 26.1 | 27% | 0.273 | 15% | 0.147 | S | C | . | . | trans | -65.9 | 122.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | E786 N1724 | A784-E786 PolarHBondContact O-N 3.35Å; A784-N1724 WeakPolarHBondContact CA-O 3.34Å; A784-N1724 HydrophobicContact CB-CB 3.98Å | ||
| 785 | S | 74.2 | Confident | 75.1 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 115.7 | 168.7 | -58.1 | 0 | 0 | 0 | 0 | 108.4 | E757 N783 N1724 I1725 G1726 | E757-S785 WeakPolarHBondContact O-CA 3.45Å; N783-S785 PolarHBondContact O-N 2.8Å; S785-N1724 PolarHBondContact N-O 2.96Å; S785-I1725 CarbonylContact O-C 3.58Å; S785-I1725 WeakPolarHBondContact O-CA 3.25Å; S785-G1726 PolarHBondContact O-N 3.18Å |
| 786 | E | 81.2 | Confident | 74.6 | Confident | 31 Ų | 31 | 28.9 Ų | 28.9 | 15% | 0.145 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 126.8 | -172.3 | -64.6 | -165.7 | 170.5 | 0 | 0 | 112.3 | E756 E757 A784 G1726 R2115 | E756-E786 HydrophobicContact CB-CB 4.13Å; E756-E786 PolarHBondContact N-O 3.07Å; E757-E786 PolarHBondContact O-N 2.84Å; A784-E786 PolarHBondContact O-N 3.35Å; E786-G1726 WeakPolarHBondContact CA-O 3.2Å; E786-R2115 IonicContact OE1-NH1 3.99Å; E786-R2115 PolarHBondContact OE1-NH1 2.76Å; E786-R2115 IonicContact OE2-CZ 3.76Å; E786-R2115 IonicContact OE2-NH1 3.8Å; E786-R2115 PolarHBondContact OE2-NH1 3.18Å |
| 787 | F | 85.1 | Confident | 73.9 | Confident | 58 Ų | 58 | 30 Ų | 30 | 25% | 0.254 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.1 | 173 | -64.8 | -95.1 | 0 | 0 | 0 | 109.6 | L754 V755 M758 I1725 G1726 V1727 S1728 | L754-F787 WeakPolarHBondContact O-CA 3.21Å; V755-F787 HydrophobicContact CG1-CE1 4.27Å; V755-F787 HydrophobicContact CG2-CD1 3.81Å; V755-F787 HydrophobicContact CG2-CE1 3.64Å; M758-F787 HydrophobicContact SD-CZ 4.21Å; F787-I1725 HydrophobicContact CD2-CG2 3.67Å; F787-I1725 HydrophobicContact CE2-CG2 3.73Å; F787-G1726 PolarHBondContact N-O 2.9Å; F787-V1727 HydrophobicContact CB-CG2 4.4Å; F787-V1727 CarbonylContact O-C 3.49Å; F787-V1727 WeakPolarHBondContact O-CA 3.33Å; F787-S1728 PolarHBondContact O-N 3.42Å |
| 788 | T | 82 | Confident | 73.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 113 | 177.4 | -69.9 | 0 | 0 | 0 | 0 | 109.6 | L754 E756 M790 V1730 R2118 V2127 | L754-T788 PolarHBondContact O-N 2.88Å; E756-T788 PolarHBondContact OE1-OG1 3.36Å; T788-M790 HydrophobicContact CG2-CG 3.97Å; T788-M790 HydrophobicContact CG2-SD 4.41Å; T788-V1730 HydrophobicContact CG2-CG2 4.07Å; T788-R2118 PolarHBondContact OG1-NH2 3.2Å; T788-V2127 HydrophobicContact CG2-CG1 4.4Å |
| 789 | L | 82.9 | Confident | 72.3 | Confident | 55 Ų | 55 | 37.1 Ų | 37.1 | 29% | 0.288 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 104 | 178.6 | -72.5 | 169.3 | 0 | 0 | 0 | 109.6 | L794 V1727 S1728 I1729 V1730 | L789-L794 HydrophobicContact CD2-CD2 4.41Å; L789-V1727 HydrophobicContact CD1-CG1 3.67Å; L789-V1727 HydrophobicContact CG-CG1 4.31Å; L789-S1728 PolarHBondContact N-O 3.43Å; L789-I1729 WeakPolarHBondContact O-CA 3.42Å; L789-V1730 PolarHBondContact O-N 2.79Å |
| 790 | M | 80.6 | Confident | 71.3 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 147.8 | 178.3 | -58.9 | 164 | -76.5 | 0 | 0 | 111 | E752 P753 T788 S792 T793 L794 V1730 V2127 | E752-M790 HydrophobicContact CB-CE 3.37Å; E752-M790 HydrophobicContact CB-SD 3.69Å; E752-M790 VanDerWaalsContact CD-SD 3.56Å; E752-M790 HydrophobicContact CG-CE 4.37Å; E752-M790 HydrophobicContact CG-SD 4.19Å; P753-M790 WeakPolarHBondContact O-CE 3.2Å; T788-M790 HydrophobicContact CG2-CG 3.97Å; T788-M790 HydrophobicContact CG2-SD 4.41Å; M790-S792 PolarHBondContact O-N 2.78Å; M790-T793 VanDerWaalsContact CE-OG1 3.24Å; M790-T793 WeakPolarHBondContact CE-OG1 3.44Å; M790-T793 PolarHBondContact O-N 3Å; M790-T793 VanDerWaalsContact O-N 3.15Å; M790-L794 PolarHBondContact O-N 2.82Å; M790-V1730 CarbonylContact C-O 3.57Å; M790-V1730 WeakPolarHBondContact CA-O 3.17Å; M790-V1730 HydrophobicContact CG-CB 4.05Å; M790-V2127 HydrophobicContact CG-CG2 4.41Å; M790-V2127 HydrophobicContact SD-CB 3.99Å; M790-V2127 HydrophobicContact SD-CG2 3.85Å |
| 791 | E | 78.9 | Confident | 70.6 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.028 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.7 | -36.2 | 175.3 | -171.2 | 177.5 | 170.9 | 0 | 0 | 112.1 | R795 V1730 E1732 L1837 | E791-R795 WeakPolarHBondContact O-CG 3.43Å; E791-R795 PolarHBondContact O-N 3.34Å; E791-R795 VanDerWaalsContact O-N 3.08Å; E791-R795 IonicContact OE1-CZ 3.46Å; E791-R795 IonicContact OE1-NE 3.89Å; E791-R795 IonicContact OE1-NH2 3.97Å; E791-R795 PolarHBondContact OE1-NH2 3.24Å; E791-V1730 PolarHBondContact N-O 2.8Å; E791-E1732 HydrophobicContact CB-CG 4.21Å; E791-E1732 HydrophobicContact CG-CG 4.02Å; E791-E1732 PolarHBondContact OE2-N 2.75Å; E791-L1837 HydrophobicContact CB-CD1 3.99Å; E791-L1837 HydrophobicContact CG-CD1 4.28Å; E791-L1837 HydrophobicContact CG-CG 4.38Å |
| 792 | S | 70.3 | Confident | 69.8 | Low | 17 Ų | 17 | 53.3 Ų | 53.3 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 173.4 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | M790 R795 Q796 | M790-S792 PolarHBondContact O-N 2.78Å; S792-R795 PolarHBondContact O-N 3.02Å; S792-Q796 WeakPolarHBondContact O-CG 3.39Å; S792-Q796 PolarHBondContact O-N 2.86Å |
| 793 | T | 68.9 | Low | 69.7 | Low | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 178.8 | -41.1 | 0 | 0 | 0 | 0 | 111.2 | F743 L754 M790 R795 Q796 L797 | F743-T793 HydrophobicContact CB-CG2 4.2Å; F743-T793 HydrophobicContact CD1-CG2 3.94Å; F743-T793 HydrophobicContact CD2-CG2 3.89Å; F743-T793 HydrophobicContact CE1-CG2 4.33Å; F743-T793 HydrophobicContact CE2-CG2 4.29Å; F743-T793 HydrophobicContact CG-CG2 3.71Å; F743-T793 HydrophobicContact CZ-CG2 4.5Å; L754-T793 HydrophobicContact CD1-CG2 4.3Å; M790-T793 VanDerWaalsContact CE-OG1 3.24Å; M790-T793 WeakPolarHBondContact CE-OG1 3.44Å; M790-T793 PolarHBondContact O-N 3Å; M790-T793 VanDerWaalsContact O-N 3.15Å; T793-R795 PolarHBondContact O-N 3.03Å; T793-Q796 PolarHBondContact O-N 3.21Å; T793-L797 HydrophobicContact CG2-CD1 3.93Å; T793-L797 HydrophobicContact CG2-CG 4.25Å; T793-L797 VanDerWaalsContact O-CB 3.29Å; T793-L797 WeakPolarHBondContact O-CB 3.47Å; T793-L797 VanDerWaalsContact O-CG 3.31Å; T793-L797 WeakPolarHBondContact O-CG 3.4Å; T793-L797 PolarHBondContact O-N 3.43Å |
| 794 | L | 72.1 | Confident | 69.4 | Low | 40 Ų | 40 | 54.1 Ų | 54.1 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 177.7 | -75.9 | 171.5 | 0 | 0 | 0 | 112.2 | L789 M790 Q796 L797 L798 | L789-L794 HydrophobicContact CD2-CD2 4.41Å; M790-L794 PolarHBondContact O-N 2.82Å; L794-Q796 VanDerWaalsContact C-N 3.34Å; L794-Q796 PolarHBondContact O-N 2.94Å; L794-L797 PolarHBondContact O-N 3.14Å; L794-L798 WeakPolarHBondContact O-CB 3.13Å; L794-L798 WeakPolarHBondContact O-CD1 3.13Å; L794-L798 VanDerWaalsContact O-CG 3.32Å; L794-L798 WeakPolarHBondContact O-CG 3.41Å; L794-L798 PolarHBondContact O-N 3.21Å |
| 795 | R | 68.3 | Low | 69.4 | Low | 76 Ų | 76 | 56 Ų | 56 | 29% | 0.287 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 176 | -73.7 | -177.2 | -163.7 | 179 | 10.2 | 111.9 | E791 S792 T793 Q799 E1732 | E791-R795 WeakPolarHBondContact O-CG 3.43Å; E791-R795 PolarHBondContact O-N 3.34Å; E791-R795 VanDerWaalsContact O-N 3.08Å; E791-R795 IonicContact OE1-CZ 3.46Å; E791-R795 IonicContact OE1-NE 3.89Å; E791-R795 IonicContact OE1-NH2 3.97Å; E791-R795 PolarHBondContact OE1-NH2 3.24Å; S792-R795 PolarHBondContact O-N 3.02Å; T793-R795 PolarHBondContact O-N 3.03Å; R795-Q799 WeakPolarHBondContact O-CB 3.45Å; R795-Q799 VanDerWaalsContact O-CG 3.25Å; R795-Q799 WeakPolarHBondContact O-CG 2.89Å; R795-Q799 PolarHBondContact O-N 3.4Å; R795-E1732 VanDerWaalsContact CZ-CD 3.48Å; R795-E1732 IonicContact CZ-OE1 3.39Å; R795-E1732 IonicContact CZ-OE2 3.35Å; R795-E1732 IonicContact NE-OE1 2.67Å; R795-E1732 IonicContact NH1-OE1 2.8Å; R795-E1732 PolarHBondContact NH1-OE1 2.99Å; R795-E1732 IonicContact NH1-OE2 3.93Å; R795-E1732 IonicContact NH2-OE1 3.11Å; R795-E1732 PolarHBondContact NH2-OE1 3.11Å; R795-E1732 IonicContact NH2-OE2 3.73Å; R795-E1732 PolarHBondContact NH2-OE2 2.86Å |
| 796 | Q | 66.8 | Low | 68.8 | Low | 42 Ų | 42 | 61.3 Ų | 61.3 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.4 | -42.9 | 178.5 | -72.8 | -177.9 | 60.9 | 0 | 0 | 111.6 | F743 S792 T793 L794 L798 Q799 W800 | F743-Q796 HydrophobicContact CE1-CB 4.2Å; F743-Q796 HydrophobicContact CE1-CG 4.46Å; F743-Q796 VanDerWaalsContact CE1-OE1 3.29Å; F743-Q796 HydrophobicContact CZ-CB 3.68Å; F743-Q796 HydrophobicContact CZ-CG 4.31Å; F743-Q796 VanDerWaalsContact CZ-OE1 3.23Å; S792-Q796 WeakPolarHBondContact O-CG 3.39Å; S792-Q796 PolarHBondContact O-N 2.86Å; T793-Q796 PolarHBondContact O-N 3.21Å; L794-Q796 VanDerWaalsContact C-N 3.34Å; L794-Q796 PolarHBondContact O-N 2.94Å; Q796-L798 VanDerWaalsContact C-N 3.35Å; Q796-L798 PolarHBondContact O-N 3.26Å; Q796-Q799 CarbonylContact O-C 3.52Å; Q796-Q799 PolarHBondContact O-N 2.67Å; Q796-W800 VanDerWaalsContact O-CB 3.26Å; Q796-W800 WeakPolarHBondContact O-CB 3.27Å; Q796-W800 PolarHBondContact O-N 3.25Å |
| 797 | L | 65.4 | Low | 67.7 | Low | 63 Ų | 63 | 62.2 Ų | 62.2 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 174.4 | -76.5 | 173.3 | 0 | 0 | 0 | 112.3 | T793 L794 W800 Y801 | T793-L797 HydrophobicContact CG2-CD1 3.93Å; T793-L797 HydrophobicContact CG2-CG 4.25Å; T793-L797 VanDerWaalsContact O-CB 3.29Å; T793-L797 WeakPolarHBondContact O-CB 3.47Å; T793-L797 VanDerWaalsContact O-CG 3.31Å; T793-L797 WeakPolarHBondContact O-CG 3.4Å; T793-L797 PolarHBondContact O-N 3.43Å; L794-L797 PolarHBondContact O-N 3.14Å; L797-W800 CarbonylContact O-C 3.59Å; L797-W800 WeakPolarHBondContact O-CB 3.42Å; L797-W800 PolarHBondContact O-N 3.17Å; L797-Y801 WeakPolarHBondContact O-CB 3.32Å; L797-Y801 PolarHBondContact O-N 3.47Å |
| 798 | L | 64.7 | Low | 66.5 | Low | 60 Ų | 60 | 64.7 Ų | 64.7 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.3 | -45.2 | 173.4 | -79.4 | 162.8 | 0 | 0 | 0 | 111.7 | L794 Q796 W800 Y801 E802 W1843 | L794-L798 WeakPolarHBondContact O-CB 3.13Å; L794-L798 WeakPolarHBondContact O-CD1 3.13Å; L794-L798 VanDerWaalsContact O-CG 3.32Å; L794-L798 WeakPolarHBondContact O-CG 3.41Å; L794-L798 PolarHBondContact O-N 3.21Å; Q796-L798 VanDerWaalsContact C-N 3.35Å; Q796-L798 PolarHBondContact O-N 3.26Å; L798-W800 PolarHBondContact O-N 2.86Å; L798-Y801 PolarHBondContact O-N 3.28Å; L798-E802 WeakPolarHBondContact O-CG 3.21Å; L798-E802 PolarHBondContact O-N 3.28Å; L798-W1843 HydrophobicContact CD1-CD2 3.76Å; L798-W1843 HydrophobicContact CD1-CE3 3.41Å; L798-W1843 VanDerWaalsContact CD1-CE3 3.41Å; L798-W1843 HydrophobicContact CD1-CG 4.47Å; L798-W1843 HydrophobicContact CD1-CH2 4.08Å; L798-W1843 HydrophobicContact CD1-CZ2 4.35Å; L798-W1843 HydrophobicContact CD1-CZ3 3.61Å |
| 799 | Q | 62.3 | Low | 65.5 | Low | 94 Ų | 94 | 71 Ų | 71 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60 | -38.1 | 171.9 | -74.4 | 177.1 | 25.6 | 0 | 0 | 111.2 | R795 Q796 R803 | R795-Q799 WeakPolarHBondContact O-CB 3.45Å; R795-Q799 VanDerWaalsContact O-CG 3.25Å; R795-Q799 WeakPolarHBondContact O-CG 2.89Å; R795-Q799 PolarHBondContact O-N 3.4Å; Q796-Q799 CarbonylContact O-C 3.52Å; Q796-Q799 PolarHBondContact O-N 2.67Å; Q799-R803 WeakPolarHBondContact O-CB 3.36Å; Q799-R803 WeakPolarHBondContact O-CG 3.17Å; Q799-R803 PolarHBondContact O-N 2.83Å |
| 800 | W | 59.9 | Low | 64.6 | Low | 52 Ų | 52 | 72.7 Ų | 72.7 | 20% | 0.197 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 174.7 | -113 | 54.4 | 0 | 0 | 0 | 110.8 | L662 V709 Q796 L797 L798 R803 W804 | L662-W800 HydrophobicContact CD1-CH2 4.15Å; V709-W800 HydrophobicContact CB-CZ2 4.25Å; V709-W800 HydrophobicContact CG1-CH2 4.08Å; V709-W800 HydrophobicContact CG1-CZ2 3.65Å; V709-W800 HydrophobicContact CG2-CZ2 4.03Å; Q796-W800 VanDerWaalsContact O-CB 3.26Å; Q796-W800 WeakPolarHBondContact O-CB 3.27Å; Q796-W800 PolarHBondContact O-N 3.25Å; L797-W800 CarbonylContact O-C 3.59Å; L797-W800 WeakPolarHBondContact O-CB 3.42Å; L797-W800 PolarHBondContact O-N 3.17Å; L798-W800 PolarHBondContact O-N 2.86Å; W800-R803 CarbonylContact O-C 3.56Å; W800-R803 PolarHBondContact O-N 2.83Å; W800-W804 AromaticContact CE3-CE3 3.76Å; W800-W804 HydrophobicContact CE3-CE3 3.76Å; W800-W804 AromaticContact CE3-CZ3 3.82Å; W800-W804 HydrophobicContact CE3-CZ3 3.82Å; W800-W804 HydrophobicContact CH2-CE3 4.49Å; W800-W804 AromaticContact CH2-CZ3 3.88Å; W800-W804 HydrophobicContact CH2-CZ3 3.88Å; W800-W804 AromaticContact CZ3-CE3 3.75Å; W800-W804 HydrophobicContact CZ3-CE3 3.75Å; W800-W804 HydrophobicContact CZ3-CH2 4.35Å; W800-W804 AromaticContact CZ3-CZ3 3.29Å; W800-W804 HydrophobicContact CZ3-CZ3 3.29Å; W800-W804 WeakPolarHBondContact O-CA 3Å; W800-W804 WeakPolarHBondContact O-CB 3.44Å; W800-W804 PolarHBondContact O-N 3.01Å |
| 801 | Y | 59.2 | Low | 63.6 | Low | 181 Ų | 181 | 73 Ų | 73 | 71% | 0.71 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | 178.6 | 179.9 | -97 | 0 | 0 | 0 | 112 | L797 L798 R803 W804 P805 | L797-Y801 WeakPolarHBondContact O-CB 3.32Å; L797-Y801 PolarHBondContact O-N 3.47Å; L798-Y801 PolarHBondContact O-N 3.28Å; Y801-R803 VanDerWaalsContact C-N 3.34Å; Y801-W804 PolarHBondContact O-N 2.89Å; Y801-P805 VanDerWaalsContact O-CD 3.3Å; Y801-P805 WeakPolarHBondContact O-CD 3.28Å |
| 802 | E | 57.1 | Low | 62.7 | Low | 144 Ų | 144 | 73.8 Ų | 73.8 | 67% | 0.673 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.4 | -37.7 | 175.8 | -72.9 | -174.5 | 167.7 | 0 | 0 | 112.1 | L798 | L798-E802 WeakPolarHBondContact O-CG 3.21Å; L798-E802 PolarHBondContact O-N 3.28Å |
| 803 | R | 58.9 | Low | 62.3 | Low | 88 Ų | 88 | 77.3 Ų | 77.3 | 33% | 0.332 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -86.5 | -10.8 | 175.4 | -65.9 | 176.3 | -174.5 | 171.3 | 7.6 | 112.8 | Q799 W800 Y801 P805 Q806 Y807 | Q799-R803 WeakPolarHBondContact O-CB 3.36Å; Q799-R803 WeakPolarHBondContact O-CG 3.17Å; Q799-R803 PolarHBondContact O-N 2.83Å; W800-R803 CarbonylContact O-C 3.56Å; W800-R803 PolarHBondContact O-N 2.83Å; Y801-R803 VanDerWaalsContact C-N 3.34Å; R803-P805 VanDerWaalsContact C-N 3.34Å; R803-Q806 CarbonylContact O-C 3.5Å; R803-Q806 VanDerWaalsContact O-CA 3.25Å; R803-Q806 WeakPolarHBondContact O-CA 3.33Å; R803-Q806 VanDerWaalsContact O-CB 3.29Å; R803-Q806 WeakPolarHBondContact O-CB 3.45Å; R803-Q806 PolarHBondContact O-N 3.01Å; R803-Y807 HydrophobicContact CB-CD2 3.34Å; R803-Y807 HydrophobicContact CB-CE2 3.27Å; R803-Y807 HydrophobicContact CB-CG 4.5Å; R803-Y807 HydrophobicContact CG-CE2 4.05Å; R803-Y807 PolarHBondContact NH1-OH 2.77Å; R803-Y807 WeakPolarHBondContact O-CD2 3.38Å; R803-Y807 PolarHBondContact O-N 3.3Å |
| 804 | W | 59.8 | Low | 61.7 | Low | 94 Ų | 94 | 80 Ų | 80 | 36% | 0.356 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | -170.8 | 178.4 | -98.8 | 0 | 0 | 0 | 110.7 | L662 W800 Y801 Q806 Y807 W808 | L662-W804 HydrophobicContact CD1-CH2 4.47Å; L662-W804 HydrophobicContact CD1-CZ3 4.08Å; L662-W804 HydrophobicContact CD2-CH2 3.83Å; L662-W804 HydrophobicContact CD2-CZ3 4.25Å; W800-W804 AromaticContact CE3-CE3 3.76Å; W800-W804 HydrophobicContact CE3-CE3 3.76Å; W800-W804 AromaticContact CE3-CZ3 3.82Å; W800-W804 HydrophobicContact CE3-CZ3 3.82Å; W800-W804 HydrophobicContact CH2-CE3 4.49Å; W800-W804 AromaticContact CH2-CZ3 3.88Å; W800-W804 HydrophobicContact CH2-CZ3 3.88Å; W800-W804 AromaticContact CZ3-CE3 3.75Å; W800-W804 HydrophobicContact CZ3-CE3 3.75Å; W800-W804 HydrophobicContact CZ3-CH2 4.35Å; W800-W804 AromaticContact CZ3-CZ3 3.29Å; W800-W804 HydrophobicContact CZ3-CZ3 3.29Å; W800-W804 WeakPolarHBondContact O-CA 3Å; W800-W804 WeakPolarHBondContact O-CB 3.44Å; W800-W804 PolarHBondContact O-N 3.01Å; Y801-W804 PolarHBondContact O-N 2.89Å; W804-Q806 VanDerWaalsContact C-N 3.29Å; W804-Q806 PolarHBondContact O-N 2.93Å; W804-Y807 PolarHBondContact O-N 3.47Å; W804-W808 AromaticContact CZ2-CE3 3.9Å; W804-W808 HydrophobicContact CZ2-CE3 3.9Å; W804-W808 HydrophobicContact CZ2-CZ3 4.25Å; W804-W808 WeakPolarHBondContact O-CA 3.41Å; W804-W808 WeakPolarHBondContact O-CB 3.24Å; W804-W808 PolarHBondContact O-N 3.04Å |
| 805 | P | 59.2 | Low | 61.2 | Low | 74 Ų | 74 | 81.3 Ų | 81.3 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.3 | -39.5 | 169.8 | -22.7 | 33.8 | 0 | 0 | 0 | 112.4 | Y801 R803 E809 | Y801-P805 VanDerWaalsContact O-CD 3.3Å; Y801-P805 WeakPolarHBondContact O-CD 3.28Å; R803-P805 VanDerWaalsContact C-N 3.34Å; P805-E809 WeakPolarHBondContact O-CA 3.3Å; P805-E809 WeakPolarHBondContact O-CB 3.17Å; P805-E809 VanDerWaalsContact O-CG 3.28Å; P805-E809 WeakPolarHBondContact O-CG 3.27Å; P805-E809 PolarHBondContact O-N 2.89Å |
| 806 | Q | 61.2 | Low | 60.6 | Low | 112 Ų | 112 | 86.3 Ų | 86.3 | 52% | 0.523 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.5 | -35.9 | 175.9 | -75.9 | -177.5 | -18.6 | 0 | 0 | 113.4 | R803 W804 N810 | R803-Q806 CarbonylContact O-C 3.5Å; R803-Q806 VanDerWaalsContact O-CA 3.25Å; R803-Q806 WeakPolarHBondContact O-CA 3.33Å; R803-Q806 VanDerWaalsContact O-CB 3.29Å; R803-Q806 WeakPolarHBondContact O-CB 3.45Å; R803-Q806 PolarHBondContact O-N 3.01Å; W804-Q806 VanDerWaalsContact C-N 3.29Å; W804-Q806 PolarHBondContact O-N 2.93Å; Q806-N810 WeakPolarHBondContact O-CA 3.41Å; Q806-N810 WeakPolarHBondContact O-CB 3.3Å; Q806-N810 PolarHBondContact O-N 3.16Å; Q806-N810 PolarHBondContact O-ND2 2.9Å; Q806-N810 PolarHBondContact O-OD1 2.85Å |
| 807 | Y | 58.1 | Low | 60 | Low | 49 Ų | 49 | 87.4 Ų | 87.4 | 19% | 0.192 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -71.4 | -41.9 | 175 | -81.5 | -68.9 | 0 | 0 | 0 | 109.9 | E705 R803 W804 N810 A811 | E705-Y807 WeakPolarHBondContact OE2-CE1 3.49Å; R803-Y807 HydrophobicContact CB-CD2 3.34Å; R803-Y807 HydrophobicContact CB-CE2 3.27Å; R803-Y807 HydrophobicContact CB-CG 4.5Å; R803-Y807 HydrophobicContact CG-CE2 4.05Å; R803-Y807 PolarHBondContact NH1-OH 2.77Å; R803-Y807 WeakPolarHBondContact O-CD2 3.38Å; R803-Y807 PolarHBondContact O-N 3.3Å; W804-Y807 PolarHBondContact O-N 3.47Å; Y807-N810 PolarHBondContact O-N 2.84Å; Y807-A811 WeakPolarHBondContact O-CA 3.11Å; Y807-A811 WeakPolarHBondContact O-CB 3.44Å; Y807-A811 PolarHBondContact O-N 3.19Å |
| 808 | W | 59.9 | Low | 59.4 | Low | 111 Ų | 111 | 87.9 Ų | 87.9 | 42% | 0.42 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66 | -42.9 | 172.5 | -171.5 | -91.7 | 0 | 0 | 0 | 110.6 | L666 W804 S812 | L666-W808 HydrophobicContact CD2-CH2 3.53Å; L666-W808 HydrophobicContact CD2-CZ2 3.81Å; L666-W808 HydrophobicContact CD2-CZ3 4.23Å; L666-W808 HydrophobicContact CG-CH2 4.45Å; W804-W808 AromaticContact CZ2-CE3 3.9Å; W804-W808 HydrophobicContact CZ2-CE3 3.9Å; W804-W808 HydrophobicContact CZ2-CZ3 4.25Å; W804-W808 WeakPolarHBondContact O-CA 3.41Å; W804-W808 WeakPolarHBondContact O-CB 3.24Å; W804-W808 PolarHBondContact O-N 3.04Å; W808-S812 WeakPolarHBondContact O-CA 3.38Å; W808-S812 WeakPolarHBondContact O-CB 3.41Å; W808-S812 PolarHBondContact O-N 3.3Å; W808-S812 PolarHBondContact O-OG 2.82Å |
| 809 | E | 61.7 | Low | 58.6 | Low | 131 Ų | 131 | 87.5 Ų | 87.5 | 61% | 0.612 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.1 | -40.2 | 173.8 | -87.1 | 179 | 163.3 | 0 | 0 | 111 | P805 S812 H813 | P805-E809 WeakPolarHBondContact O-CA 3.3Å; P805-E809 WeakPolarHBondContact O-CB 3.17Å; P805-E809 VanDerWaalsContact O-CG 3.28Å; P805-E809 WeakPolarHBondContact O-CG 3.27Å; P805-E809 PolarHBondContact O-N 2.89Å; E809-S812 CarbonylContact O-C 3.6Å; E809-S812 PolarHBondContact O-N 3.45Å; E809-H813 VanDerWaalsContact O-CA 3.24Å; E809-H813 WeakPolarHBondContact O-CA 3.46Å; E809-H813 WeakPolarHBondContact O-CB 3.02Å; E809-H813 PolarHBondContact O-N 2.84Å |
| 810 | N | 63 | Low | 57.6 | Low | 91 Ų | 91 | 87.8 Ų | 87.8 | 49% | 0.487 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -72.1 | -40.5 | 177.5 | -73.8 | -14.6 | 0 | 0 | 0 | 111.2 | Q806 Y807 S812 H813 C814 | Q806-N810 WeakPolarHBondContact O-CA 3.41Å; Q806-N810 WeakPolarHBondContact O-CB 3.3Å; Q806-N810 PolarHBondContact O-N 3.16Å; Q806-N810 PolarHBondContact O-ND2 2.9Å; Q806-N810 PolarHBondContact O-OD1 2.85Å; Y807-N810 PolarHBondContact O-N 2.84Å; N810-S812 VanDerWaalsContact C-N 3.33Å; N810-H813 CarbonylContact O-C 3.49Å; N810-H813 PolarHBondContact O-N 3.48Å; N810-C814 WeakPolarHBondContact O-CA 3.36Å; N810-C814 WeakPolarHBondContact O-CB 3.15Å; N810-C814 PolarHBondContact O-N 2.99Å; N810-C814 PolarHBondContact O-SG 3.13Å |
| 811 | A | 59.8 | Low | 56.6 | Low | 9 Ų | 9 | 91.6 Ų | 91.6 | 7% | 0.074 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | L662 L666 Y807 H813 Y815 | L662-A811 HydrophobicContact CB-CB 4.19Å; L666-A811 HydrophobicContact CD1-CB 4.38Å; Y807-A811 WeakPolarHBondContact O-CA 3.11Å; Y807-A811 WeakPolarHBondContact O-CB 3.44Å; Y807-A811 PolarHBondContact O-N 3.19Å; A811-H813 VanDerWaalsContact C-N 3.32Å; A811-Y815 WeakPolarHBondContact O-CA 2.94Å; A811-Y815 WeakPolarHBondContact O-CB 3.49Å; A811-Y815 PolarHBondContact O-N 2.75Å |
| 812 | S | 60.4 | Low | 55.4 | Low | 21 Ų | 21 | 88.6 Ų | 88.6 | 15% | 0.147 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67.9 | -31.7 | 171.4 | -63.5 | 0 | 0 | 0 | 0 | 112 | W808 E809 N810 R816 | W808-S812 WeakPolarHBondContact O-CA 3.38Å; W808-S812 WeakPolarHBondContact O-CB 3.41Å; W808-S812 PolarHBondContact O-N 3.3Å; W808-S812 PolarHBondContact O-OG 2.82Å; E809-S812 CarbonylContact O-C 3.6Å; E809-S812 PolarHBondContact O-N 3.45Å; N810-S812 VanDerWaalsContact C-N 3.33Å; S812-R816 VanDerWaalsContact O-CB 3.32Å; S812-R816 WeakPolarHBondContact O-CB 3.36Å; S812-R816 WeakPolarHBondContact O-CD 3.41Å; S812-R816 WeakPolarHBondContact O-CG 3.16Å; S812-R816 PolarHBondContact O-N 3.09Å |
| 813 | H | 61.2 | Low | 54.4 | Low | 91 Ų | 91 | 87.5 Ų | 87.5 | 42% | 0.421 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -80.4 | -50.7 | -177.7 | -172.9 | -98 | 0 | 0 | 0 | 108.8 | E809 N810 A811 Y815 R816 E817 | E809-H813 VanDerWaalsContact O-CA 3.24Å; E809-H813 WeakPolarHBondContact O-CA 3.46Å; E809-H813 WeakPolarHBondContact O-CB 3.02Å; E809-H813 PolarHBondContact O-N 2.84Å; N810-H813 CarbonylContact O-C 3.49Å; N810-H813 PolarHBondContact O-N 3.48Å; A811-H813 VanDerWaalsContact C-N 3.32Å; H813-Y815 VanDerWaalsContact C-N 3.29Å; H813-Y815 PolarHBondContact O-N 2.73Å; H813-R816 CarbonylContact O-C 3.6Å; H813-R816 WeakPolarHBondContact O-CA 3.36Å; H813-R816 VanDerWaalsContact O-CB 3.3Å; H813-R816 WeakPolarHBondContact O-CB 3.38Å; H813-R816 PolarHBondContact O-N 2.95Å; H813-E817 WeakPolarHBondContact CE1-CG 3.48Å; H813-E817 IonicContact CE1-OE1 3.6Å; H813-E817 PolarHBondContact CE1-OE1 3.19Å; H813-E817 IonicContact CE1-OE2 3.04Å; H813-E817 PolarHBondContact CE1-OE2 2.94Å; H813-E817 VanDerWaalsContact CE1-OE2 3.29Å; H813-E817 WeakPolarHBondContact ND1-CG 3.32Å; H813-E817 IonicContact ND1-OE1 2.92Å; H813-E817 IonicContact ND1-OE2 2.96Å; H813-E817 PolarHBondContact ND1-OE2 2.9Å; H813-E817 WeakPolarHBondContact O-CA 3.48Å; H813-E817 WeakPolarHBondContact O-CB 3.47Å; H813-E817 PolarHBondContact O-N 3.19Å |
| 814 | C | 56.5 | Low | 53.9 | Low | 57 Ų | 57 | 87.4 Ų | 87.4 | 39% | 0.385 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -52.1 | -47.1 | 165.7 | -69.7 | 0 | 0 | 0 | 0 | 110.4 | N810 R816 E817 I818 | N810-C814 WeakPolarHBondContact O-CA 3.36Å; N810-C814 WeakPolarHBondContact O-CB 3.15Å; N810-C814 PolarHBondContact O-N 2.99Å; N810-C814 PolarHBondContact O-SG 3.13Å; C814-R816 PolarHBondContact O-N 3.37Å; C814-E817 PolarHBondContact O-N 3.12Å; C814-I818 VanDerWaalsContact O-CB 3.29Å; C814-I818 WeakPolarHBondContact O-CB 3.38Å; C814-I818 WeakPolarHBondContact O-CD1 3.35Å; C814-I818 WeakPolarHBondContact O-CG1 3.5Å; C814-I818 PolarHBondContact O-N 3.08Å |
| 815 | Y | 61.2 | Low | 54.2 | Low | 67 Ų | 67 | 83.3 Ų | 83.3 | 26% | 0.263 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -55.5 | -39.6 | 170.7 | 173.6 | -105.7 | 0 | 0 | 0 | 111.5 | I667 D670 A811 H813 F819 | I667-Y815 HydrophobicContact CG1-CD2 3.76Å; I667-Y815 HydrophobicContact CG1-CE2 3.8Å; D670-Y815 PolarHBondContact OD2-OH 2.78Å; A811-Y815 WeakPolarHBondContact O-CA 2.94Å; A811-Y815 WeakPolarHBondContact O-CB 3.49Å; A811-Y815 PolarHBondContact O-N 2.75Å; H813-Y815 VanDerWaalsContact C-N 3.29Å; H813-Y815 PolarHBondContact O-N 2.73Å; Y815-F819 WeakPolarHBondContact O-CD2 3.5Å; Y815-F819 WeakPolarHBondContact O-CE2 3.11Å |
| 816 | R | 57.1 | Low | 55.1 | Low | 181 Ų | 181 | 81.6 Ų | 81.6 | 68% | 0.683 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -78.4 | -22.4 | 172.7 | -71.1 | 168.2 | -165.5 | -154.2 | 6.2 | 115 | S812 H813 C814 F819 | S812-R816 VanDerWaalsContact O-CB 3.32Å; S812-R816 WeakPolarHBondContact O-CB 3.36Å; S812-R816 WeakPolarHBondContact O-CD 3.41Å; S812-R816 WeakPolarHBondContact O-CG 3.16Å; S812-R816 PolarHBondContact O-N 3.09Å; H813-R816 CarbonylContact O-C 3.6Å; H813-R816 WeakPolarHBondContact O-CA 3.36Å; H813-R816 VanDerWaalsContact O-CB 3.3Å; H813-R816 WeakPolarHBondContact O-CB 3.38Å; H813-R816 PolarHBondContact O-N 2.95Å; C814-R816 PolarHBondContact O-N 3.37Å; R816-F819 WeakPolarHBondContact O-CB 3.32Å |
| 817 | E | 53.4 | Low | 56.2 | Low | 66 Ų | 66 | 76.3 Ų | 76.3 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -102.8 | -24.5 | -168.9 | -107 | -165.7 | 156.4 | 0 | 0 | 112.2 | H813 C814 F819 T820 | H813-E817 WeakPolarHBondContact CE1-CG 3.48Å; H813-E817 IonicContact CE1-OE1 3.6Å; H813-E817 PolarHBondContact CE1-OE1 3.19Å; H813-E817 IonicContact CE1-OE2 3.04Å; H813-E817 PolarHBondContact CE1-OE2 2.94Å; H813-E817 VanDerWaalsContact CE1-OE2 3.29Å; H813-E817 WeakPolarHBondContact ND1-CG 3.32Å; H813-E817 IonicContact ND1-OE1 2.92Å; H813-E817 IonicContact ND1-OE2 2.96Å; H813-E817 PolarHBondContact ND1-OE2 2.9Å; H813-E817 WeakPolarHBondContact O-CA 3.48Å; H813-E817 WeakPolarHBondContact O-CB 3.47Å; H813-E817 PolarHBondContact O-N 3.19Å; C814-E817 PolarHBondContact O-N 3.12Å; E817-F819 CarbonylContact O-C 3.58Å; E817-F819 PolarHBondContact O-N 3.17Å; E817-T820 WeakPolarHBondContact CA-OG1 3.36Å; E817-T820 WeakPolarHBondContact O-CA 3.32Å; E817-T820 PolarHBondContact O-N 3.08Å; E817-T820 PolarHBondContact O-OG1 3.11Å |
| 818 | I | 52.1 | Low | 57.6 | Low | 72 Ų | 72 | 78 Ų | 78 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -21.8 | 160.5 | -75.4 | 164 | 0 | 0 | 0 | 109.2 | I611 C814 | I611-I818 HydrophobicContact CB-CG2 4.32Å; I611-I818 HydrophobicContact CD1-CG2 4.06Å; I611-I818 HydrophobicContact CG1-CG2 3.72Å; I611-I818 HydrophobicContact CG2-CD1 4.35Å; I611-I818 HydrophobicContact CG2-CG2 3.94Å; C814-I818 VanDerWaalsContact O-CB 3.29Å; C814-I818 WeakPolarHBondContact O-CB 3.38Å; C814-I818 WeakPolarHBondContact O-CD1 3.35Å; C814-I818 WeakPolarHBondContact O-CG1 3.5Å; C814-I818 PolarHBondContact O-N 3.08Å |
| 819 | F | 47.9 | Very low | 59 | Low | 53 Ų | 53 | 72.7 Ų | 72.7 | 23% | 0.232 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 14.1 | 169.9 | -58.7 | -68.6 | 0 | 0 | 0 | 116.3 | P603 R609 I611 Y815 R816 E817 | P603-F819 HydrophobicContact CB-CE1 4.48Å; P603-F819 HydrophobicContact CB-CZ 4.48Å; P603-F819 HydrophobicContact CG-CE1 3.83Å; P603-F819 HydrophobicContact CG-CZ 4.23Å; R609-F819 VanDerWaalsContact NH1-C 3.26Å; R609-F819 PolarHBondContact NH1-O 3.28Å; R609-F819 PolarHBondContact NH2-O 2.6Å; I611-F819 HydrophobicContact CD1-CE1 4.05Å; I611-F819 HydrophobicContact CD1-CZ 3.79Å; Y815-F819 WeakPolarHBondContact O-CD2 3.5Å; Y815-F819 WeakPolarHBondContact O-CE2 3.11Å; R816-F819 WeakPolarHBondContact O-CB 3.32Å; E817-F819 CarbonylContact O-C 3.58Å; E817-F819 PolarHBondContact O-N 3.17Å |
| 820 | T | 41.8 | Very low | 60.3 | Low | 99 Ų | 99 | 69.5 Ų | 69.5 | 61% | 0.607 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.5 | 1.9 | -172.7 | 56.5 | 0 | 0 | 0 | 0 | 122.1 | E817 | E817-T820 WeakPolarHBondContact CA-OG1 3.36Å; E817-T820 WeakPolarHBondContact O-CA 3.32Å; E817-T820 PolarHBondContact O-N 3.08Å; E817-T820 PolarHBondContact O-OG1 3.11Å |
| 821 | L | 39.8 | Very low | 61.6 | Low | 133 Ų | 133 | 65.2 Ų | 65.2 | 70% | 0.696 | 35% | 0.349 | S | S | * | . | trans | -92.4 | 156.8 | -164.5 | -75.7 | 159.8 | 0 | 0 | 0 | 120.4 | ||||
| 822 | P | 33.8 | Very low | 62.8 | Low | 117 Ų | 117 | 68.6 Ų | 68.6 | 76% | 0.76 | 36% | 0.362 | S | S | * | . | trans | -121.7 | 176.9 | 176.9 | 34 | -15 | 0 | 0 | 0 | 118.5 | ||||
| 823 | T | 35.7 | Very low | 63.9 | Low | 122 Ų | 122 | 67.6 Ų | 67.6 | 75% | 0.748 | 36% | 0.355 | S | S | * | . | trans | -122.8 | 37.6 | -151 | 50.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 824 | A | 48.7 | Very low | 64.7 | Low | 85 Ų | 85 | 65.1 Ų | 65.1 | 70% | 0.702 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 155.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | S937 | A824-S937 WeakPolarHBondContact O-CB 3.44Å |
| 825 | A | 65.4 | Low | 65.9 | Low | 9 Ų | 9 | 63.5 Ų | 63.5 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 166 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | Y866 V868 S937 | A825-Y866 HydrophobicContact CB-CE1 4.46Å; A825-Y866 HydrophobicContact CB-CE2 4.1Å; A825-Y866 PolarHBondContact N-O 3.03Å; A825-Y866 PolarHBondContact O-N 3.48Å; A825-Y866 VanDerWaalsContact O-N 3.11Å; A825-V868 HydrophobicContact CB-CG2 3.41Å; A825-V868 VanDerWaalsContact CB-CG2 3.41Å; A825-S937 CarbonylContact C-O 3.51Å; A825-S937 WeakPolarHBondContact CA-O 3.37Å |
| 826 | C | 78.8 | Confident | 67.1 | Low | 38 Ų | 38 | 63.2 Ų | 63.2 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 156 | -173.1 | -73.1 | 0 | 0 | 0 | 0 | 113.1 | L863 L864 S937 L938 H939 | C826-L863 HydrophobicContact CB-CD1 4.32Å; C826-L864 CarbonylContact C-O 3.51Å; C826-S937 PolarHBondContact N-O 3.3Å; C826-L938 HydrophobicContact CB-CD1 3.95Å; C826-L938 VanDerWaalsContact O-CA 3.3Å; C826-L938 WeakPolarHBondContact O-CA 3.42Å; C826-H939 PolarHBondContact O-N 2.97Å |
| 827 | C | 83.9 | Confident | 68.6 | Low | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 130 | 171.7 | -178 | 0 | 0 | 0 | 0 | 112.1 | M841 L863 L864 Y866 H939 | C827-M841 HydrophobicContact CB-CE 3.22Å; C827-M841 WeakPolarHBondContact SG-CE 3.22Å; C827-L863 CarbonylContact O-C 3.54Å; C827-L863 WeakPolarHBondContact O-CA 3.37Å; C827-L864 PolarHBondContact N-O 3.42Å; C827-L864 PolarHBondContact O-N 3.38Å; C827-Y866 HydrophobicContact CB-CE1 4.16Å; C827-H939 CarbonylContact C-O 3.6Å; C827-H939 WeakPolarHBondContact CA-O 3.3Å; C827-H939 HydrophobicContact CB-CB 4.17Å; C827-H939 PolarHBondContact SG-O 2.86Å; C827-H939 VanDerWaalsContact SG-O 3.38Å |
| 828 | R | 88.1 | Confident | 70.2 | Confident | 84 Ų | 84 | 55.4 Ų | 55.4 | 32% | 0.317 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 128.5 | 176.7 | -168.5 | -175.7 | -59.5 | 126 | -2.9 | 110.5 | V862 L863 E934 L938 H939 S940 V941 | R828-V862 CarbonylContact C-O 3.6Å; R828-V862 WeakPolarHBondContact CA-O 3.27Å; R828-L863 HydrophobicContact CB-CD1 3.91Å; R828-L863 HydrophobicContact CG-CD1 4.39Å; R828-E934 IonicContact CZ-OE2 2.68Å; R828-E934 IonicContact NH1-OE1 3.59Å; R828-E934 IonicContact NH1-OE2 2.72Å; R828-E934 PolarHBondContact NH1-OE2 3.17Å; R828-L938 HydrophobicContact CB-CD1 4.45Å; R828-H939 PolarHBondContact N-O 3.33Å; R828-S940 PolarHBondContact NH1-OG 3.45Å; R828-S940 CarbonylContact O-C 3.51Å; R828-S940 WeakPolarHBondContact O-CA 3.38Å; R828-V941 PolarHBondContact O-N 3.47Å |
| 829 | I | 88.8 | Confident | 72 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.4 | -178.4 | -56.2 | 151.7 | 0 | 0 | 0 | 109.4 | V839 N861 V862 L864 L880 V941 I943 | I829-V839 HydrophobicContact CD1-CB 4.03Å; I829-V839 HydrophobicContact CD1-CG1 4.14Å; I829-V839 HydrophobicContact CD1-CG2 4.33Å; I829-V839 HydrophobicContact CG2-CG1 4.08Å; I829-N861 CarbonylContact O-C 3.56Å; I829-N861 WeakPolarHBondContact O-CA 3.18Å; I829-V862 PolarHBondContact N-O 2.7Å; I829-V862 PolarHBondContact O-N 2.58Å; I829-L864 HydrophobicContact CD1-CD1 3.47Å; I829-L864 VanDerWaalsContact CD1-CD1 3.47Å; I829-L864 HydrophobicContact CD1-CG 4.06Å; I829-L880 HydrophobicContact CD1-CD1 3.4Å; I829-L880 VanDerWaalsContact CD1-CD1 3.4Å; I829-L880 HydrophobicContact CD1-CD2 4.19Å; I829-L880 HydrophobicContact CD1-CG 4.45Å; I829-L880 HydrophobicContact CG1-CD1 4.16Å; I829-L880 HydrophobicContact CG1-CD2 4.04Å; I829-L880 HydrophobicContact CG2-CD2 4.44Å; I829-V941 CarbonylContact C-O 3.49Å; I829-V941 WeakPolarHBondContact CA-O 3.48Å; I829-I943 HydrophobicContact CG2-CD1 4.12Å |
| 830 | K | 88.7 | Confident | 74 | Confident | 64 Ų | 64 | 49.5 Ų | 49.5 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116.1 | 177.2 | -172.9 | 167.5 | -168.4 | 169.1 | 0 | 110.8 | K832 N861 V941 V942 I943 | K830-K832 HydrophobicContact CG-CG 4.31Å; K830-N861 WeakPolarHBondContact CB-OD1 3.2Å; K830-N861 VanDerWaalsContact CD-OD1 3.28Å; K830-N861 WeakPolarHBondContact CD-OD1 3.33Å; K830-N861 WeakPolarHBondContact CG-OD1 3.42Å; K830-V941 PolarHBondContact N-O 3.1Å; K830-V942 HydrophobicContact CB-CG1 4.48Å; K830-V942 HydrophobicContact CB-CG2 4.19Å; K830-I943 PolarHBondContact O-N 2.81Å |
| 831 | N | 90.2 | Very high | 76.1 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 111.9 | 177.7 | 176.7 | 6.4 | 0 | 0 | 0 | 110.8 | C833 I835 L837 A856 E859 E860 | N831-C833 WeakPolarHBondContact OD1-CB 3.27Å; N831-C833 PolarHBondContact OD1-N 3.29Å; N831-I835 PolarHBondContact ND2-O 3.12Å; N831-L837 HydrophobicContact CB-CD1 4.39Å; N831-L837 PolarHBondContact ND2-N 3.28Å; N831-L837 WeakPolarHBondContact OD1-CD1 3.47Å; N831-A856 HydrophobicContact CB-CB 4.29Å; N831-A856 PolarHBondContact ND2-O 2.56Å; N831-E859 VanDerWaalsContact O-CA 3.27Å; N831-E859 WeakPolarHBondContact O-CA 3.43Å; N831-E859 PolarHBondContact O-N 2.79Å; N831-E860 PolarHBondContact N-O 3.17Å |
| 832 | K | 85 | Confident | 78 | Confident | 80 Ų | 80 | 40.7 Ų | 40.7 | 35% | 0.348 | 24% | 0.236 | S | C | . | . | trans | -109.7 | 13.4 | 173.2 | -61.8 | -167 | 170.3 | -172.2 | 0 | 113.6 | K830 G834 V942 I943 P945 | K830-K832 HydrophobicContact CG-CG 4.31Å; K832-G834 VanDerWaalsContact C-N 3.3Å; K832-G834 PolarHBondContact O-N 3.07Å; K832-V942 HydrophobicContact CD-CG1 4.15Å; K832-V942 HydrophobicContact CG-CG1 4.35Å; K832-I943 WeakPolarHBondContact CA-O 3.44Å; K832-I943 WeakPolarHBondContact CB-O 2.94Å; K832-I943 PolarHBondContact N-O 3.38Å; K832-P945 VanDerWaalsContact O-CD 3.26Å; K832-P945 WeakPolarHBondContact O-CD 3.29Å | ||
| 833 | C | 83.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -77.3 | -11.1 | -171.4 | -73.2 | 0 | 0 | 0 | 0 | 114.9 | N831 I835 L837 I943 L986 | N831-C833 WeakPolarHBondContact OD1-CB 3.27Å; N831-C833 PolarHBondContact OD1-N 3.29Å; C833-I835 HydrophobicContact CB-CG1 4.28Å; C833-I835 PolarHBondContact O-N 3.27Å; C833-L837 HydrophobicContact CB-CD1 4.27Å; C833-I943 VanDerWaalsContact SG-CG2 3.58Å; C833-L986 HydrophobicContact CB-CD1 3.55Å; C833-L986 HydrophobicContact CB-CG 4.1Å; C833-L986 PolarHBondContact O-N 3.24Å |
| 834 | G | 78 | Confident | 81.5 | Confident | 39 Ų | 39 | 40.2 Ų | 40.2 | 40% | 0.402 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 80.8 | -8.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | K832 P858 | K832-G834 VanDerWaalsContact C-N 3.3Å; K832-G834 PolarHBondContact O-N 3.07Å; G834-P858 WeakPolarHBondContact O-CG 3.07Å |
| 835 | I | 83.2 | Confident | 82.5 | Confident | 23 Ų | 23 | 38.6 Ų | 38.6 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -120.3 | 150.2 | 174.2 | 56 | 167.9 | 0 | 0 | 0 | 110.2 | N831 C833 A884 V907 L986 | N831-I835 PolarHBondContact ND2-O 3.12Å; C833-I835 HydrophobicContact CB-CG1 4.28Å; C833-I835 PolarHBondContact O-N 3.27Å; I835-A884 HydrophobicContact CD1-CB 4.4Å; I835-V907 HydrophobicContact CD1-CG1 4.19Å; I835-V907 HydrophobicContact CD1-CG2 4.29Å; I835-L986 HydrophobicContact CD1-CB 4.5Å; I835-L986 HydrophobicContact CD1-CD1 3.92Å; I835-L986 HydrophobicContact CG1-CD1 4.13Å |
| 836 | P | 85.2 | Confident | 82.8 | Confident | 61 Ų | 61 | 40.1 Ų | 40.1 | 40% | 0.396 | 22% | 0.216 | S | C | . | . | trans | -62.7 | 137.2 | 174.4 | 25.5 | -32.8 | 0 | 0 | 0 | 110.9 | A856 | P836-A856 WeakPolarHBondContact CA-O 3.25Š| ||
| 837 | L | 87.8 | Confident | 82.7 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.2 | 178 | -68 | 176.2 | 0 | 0 | 0 | 109.4 | N831 C833 A856 L905 I943 | N831-L837 HydrophobicContact CB-CD1 4.39Å; N831-L837 PolarHBondContact ND2-N 3.28Å; N831-L837 WeakPolarHBondContact OD1-CD1 3.47Å; C833-L837 HydrophobicContact CB-CD1 4.27Å; L837-A856 PolarHBondContact N-O 3.42Å; L837-A856 WeakPolarHBondContact O-CA 3.24Å; L837-A856 WeakPolarHBondContact O-CB 3.48Å; L837-A856 PolarHBondContact O-N 3.05Å; L837-L905 HydrophobicContact CD2-CD2 3.84Å; L837-I943 HydrophobicContact CD1-CB 4.46Å; L837-I943 HydrophobicContact CD1-CD1 4.18Å; L837-I943 HydrophobicContact CD1-CG2 4.14Å |
| 838 | W | 88.1 | Confident | 82.3 | Confident | 82 Ų | 82 | 49 Ų | 49 | 31% | 0.311 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 125.5 | 171.1 | -64.6 | 82.8 | 0 | 0 | 0 | 109.2 | W853 V854 C855 L882 K883 P886 | W838-W853 HydrophobicContact CB-CE3 3.84Å; W838-W853 HydrophobicContact CB-CZ3 4.35Å; W838-W853 HydrophobicContact CE3-CB 4.01Å; W838-W853 WeakPolarHBondContact O-CZ3 3.28Å; W838-V854 CarbonylContact C-O 3.51Å; W838-V854 WeakPolarHBondContact CA-O 3.3Å; W838-C855 HydrophobicContact CD2-CB 3.99Å; W838-C855 HydrophobicContact CE3-CB 3.84Å; W838-C855 HydrophobicContact CH2-CB 3.95Å; W838-C855 HydrophobicContact CZ2-CB 4.05Å; W838-C855 HydrophobicContact CZ3-CB 3.84Å; W838-L882 CarbonylContact O-C 3.59Å; W838-L882 VanDerWaalsContact O-CA 3.32Å; W838-L882 WeakPolarHBondContact O-CA 3.38Å; W838-K883 HydrophobicContact CB-CB 4.19Å; W838-K883 PolarHBondContact N-O 3.31Å; W838-K883 PolarHBondContact O-N 3.45Å; W838-P886 HydrophobicContact CZ2-CG 4.11Å |
| 839 | V | 90.8 | Very high | 81.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.6 | -173.8 | -82.6 | 0 | 0 | 0 | 0 | 111.5 | I829 V854 A856 V862 L880 N881 L882 | I829-V839 HydrophobicContact CD1-CB 4.03Å; I829-V839 HydrophobicContact CD1-CG1 4.14Å; I829-V839 HydrophobicContact CD1-CG2 4.33Å; I829-V839 HydrophobicContact CG2-CG1 4.08Å; V839-V854 HydrophobicContact CG2-CB 4.32Å; V839-V854 WeakPolarHBondContact CG2-O 3.19Å; V839-V854 PolarHBondContact N-O 2.73Å; V839-V854 PolarHBondContact O-N 3.41Å; V839-A856 HydrophobicContact CG2-CB 3.77Å; V839-V862 HydrophobicContact CG2-CG1 4.44Å; V839-L880 HydrophobicContact CB-CD1 4.25Å; V839-L880 HydrophobicContact CG1-CD1 4.21Å; V839-N881 VanDerWaalsContact CA-O 3.32Å; V839-N881 WeakPolarHBondContact CA-O 3.39Å; V839-L882 HydrophobicContact CG1-CD2 3.24Å |
| 840 | A | 88.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 145.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V848 W853 N881 | A840-V848 HydrophobicContact CB-CG1 3.47Å; A840-V848 VanDerWaalsContact CB-CG1 3.47Å; A840-V848 HydrophobicContact CB-CG2 4.38Å; A840-W853 HydrophobicContact CB-CD2 4.1Å; A840-W853 HydrophobicContact CB-CE3 3.98Å; A840-W853 HydrophobicContact CB-CZ3 4.33Å; A840-N881 PolarHBondContact N-O 2.99Å; A840-N881 VanDerWaalsContact N-O 3.11Å; A840-N881 PolarHBondContact O-N 2.91Å |
| 841 | M | 85.1 | Confident | 80.7 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132.4 | 177.9 | -165.4 | 68.9 | 78.4 | 0 | 0 | 111.1 | C827 L864 Y866 H878 L880 T895 | C827-M841 HydrophobicContact CB-CE 3.22Å; C827-M841 WeakPolarHBondContact SG-CE 3.22Å; M841-L864 HydrophobicContact CB-CB 4.18Å; M841-L864 HydrophobicContact CB-CD1 3.96Å; M841-Y866 HydrophobicContact CG-CD1 4.11Å; M841-Y866 HydrophobicContact CG-CG 4.43Å; M841-H878 HydrophobicContact SD-CB 4.33Å; M841-L880 HydrophobicContact SD-CB 4.39Å; M841-T895 HydrophobicContact CE-CG2 3.74Å; M841-T895 HydrophobicContact SD-CG2 3.87Å |
| 842 | Q | 79.4 | Confident | 80.3 | Confident | 29 Ų | 29 | 62.5 Ų | 62.5 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 168.8 | 177 | -139.1 | 152 | -26.3 | 0 | 0 | 113.2 | A846 K847 H878 E879 | Q842-A846 HydrophobicContact CG-CB 4.06Å; Q842-K847 PolarHBondContact NE2-O 3.46Å; Q842-H878 CarbonylContact O-C 3.56Å; Q842-H878 WeakPolarHBondContact O-CA 3.19Å; Q842-E879 PolarHBondContact N-O 3.4Å; Q842-E879 VanDerWaalsContact N-O 3.15Å; Q842-E879 PolarHBondContact O-N 2.92Å |
| 843 | N | 74.4 | Confident | 80.3 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 144.1 | 173.3 | -60.9 | 4.9 | 0 | 0 | 0 | 110.4 | G845 A846 V876 F877 H878 | N843-G845 PolarHBondContact O-N 2.81Å; N843-A846 HydrophobicContact CB-CB 4.44Å; N843-A846 VanDerWaalsContact O-CB 3.31Å; N843-A846 WeakPolarHBondContact O-CB 3.09Å; N843-A846 PolarHBondContact O-N 3.01Å; N843-V876 HydrophobicContact CB-CG1 3.84Å; N843-V876 VanDerWaalsContact CG-CG1 3.45Å; N843-V876 WeakPolarHBondContact ND2-CG1 3.38Å; N843-F877 CarbonylContact C-O 3.41Å; N843-H878 PolarHBondContact OD1-NE2 3.3Å |
| 844 | Y | 69.7 | Low | 80.5 | Confident | 155 Ų | 155 | 63 Ų | 63 | 61% | 0.608 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 126.5 | 178.2 | -179.7 | -90.5 | 0 | 0 | 0 | 110.9 | A846 F877 E879 | Y844-A846 VanDerWaalsContact C-N 3.3Å; Y844-A846 PolarHBondContact O-N 3.27Å; Y844-F877 VanDerWaalsContact CB-O 3.27Å; Y844-F877 WeakPolarHBondContact CB-O 3.31Å; Y844-F877 PolarHBondContact N-O 3.38Å; Y844-E879 HydrophobicContact CD2-CG 3.61Å; Y844-E879 WeakPolarHBondContact CD2-OE1 3.29Å; Y844-E879 HydrophobicContact CE2-CG 4.49Å; Y844-E879 WeakPolarHBondContact CE2-OE1 3.4Å; Y844-E879 HydrophobicContact CG-CG 4.31Å |
| 845 | G | 68.6 | Low | 81 | Confident | 52 Ų | 52 | 63.2 Ų | 63.2 | 54% | 0.536 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -12 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | N843 | N843-G845 PolarHBondContact O-N 2.81Š|
| 846 | A | 72.4 | Confident | 81.1 | Confident | 40 Ų | 40 | 62.1 Ų | 62.1 | 33% | 0.331 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -73 | 144.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q842 N843 Y844 | Q842-A846 HydrophobicContact CG-CB 4.06Å; N843-A846 HydrophobicContact CB-CB 4.44Å; N843-A846 VanDerWaalsContact O-CB 3.31Å; N843-A846 WeakPolarHBondContact O-CB 3.09Å; N843-A846 PolarHBondContact O-N 3.01Å; Y844-A846 VanDerWaalsContact C-N 3.3Å; Y844-A846 PolarHBondContact O-N 3.27Å |
| 847 | K | 75.9 | Confident | 81.2 | Confident | 198 Ų | 198 | 65.5 Ų | 65.5 | 86% | 0.861 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 133.8 | 171.4 | -80.8 | -175.1 | 176.5 | 179.1 | 0 | 110.4 | Q842 A849 | Q842-K847 PolarHBondContact NE2-O 3.46Å; K847-A849 PolarHBondContact O-N 3.07Å |
| 848 | V | 76.3 | Confident | 80.9 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 16% | 0.164 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 120 | 174.5 | -170.7 | 0 | 0 | 0 | 0 | 110.2 | A840 K852 W853 N881 | A840-V848 HydrophobicContact CB-CG1 3.47Å; A840-V848 VanDerWaalsContact CB-CG1 3.47Å; A840-V848 HydrophobicContact CB-CG2 4.38Å; V848-K852 HydrophobicContact CG1-CB 4.04Å; V848-W853 HydrophobicContact CB-CZ2 3.86Å; V848-W853 HydrophobicContact CG1-CD2 4.12Å; V848-W853 HydrophobicContact CG1-CG 4.24Å; V848-W853 HydrophobicContact CG1-CZ2 4Å; V848-W853 VanDerWaalsContact CG1-NE1 3.3Å; V848-W853 HydrophobicContact CG2-CZ2 4.05Å; V848-N881 HydrophobicContact CG2-CB 4.11Å; V848-N881 WeakPolarHBondContact CG2-ND2 3.29Å |
| 849 | A | 78.8 | Confident | 80.5 | Confident | 43 Ų | 43 | 69.6 Ų | 69.6 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 144.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | K847 D851 K852 | K847-A849 PolarHBondContact O-N 3.07Å; A849-D851 WeakPolarHBondContact CB-OD1 3.46Å; A849-D851 PolarHBondContact O-N 3.07Å; A849-D851 VanDerWaalsContact O-N 3.12Å; A849-K852 HydrophobicContact CB-CG 4.49Å; A849-K852 PolarHBondContact O-N 2.78Å |
| 850 | D | 75.1 | Confident | 80.1 | Confident | 149 Ų | 149 | 73.4 Ų | 73.4 | 80% | 0.797 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -61.4 | -24.6 | -171.4 | -74.6 | -27.9 | 0 | 0 | 0 | 113.3 | ||
| 851 | D | 78.6 | Confident | 79.7 | Confident | 136 Ų | 136 | 77.8 Ų | 77.8 | 73% | 0.727 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -77.3 | -18.8 | 177.2 | 64.4 | -29.4 | 0 | 0 | 0 | 114.3 | A849 | A849-D851 WeakPolarHBondContact CB-OD1 3.46Å; A849-D851 PolarHBondContact O-N 3.07Å; A849-D851 VanDerWaalsContact O-N 3.12Å |
| 852 | K | 80.4 | Confident | 79.8 | Confident | 104 Ų | 104 | 77.5 Ų | 77.5 | 45% | 0.452 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -85.4 | -9.8 | -178.7 | -70.8 | -167.5 | 176.1 | -175.2 | 0 | 114.6 | V848 A849 V854 | V848-K852 HydrophobicContact CG1-CB 4.04Å; A849-K852 HydrophobicContact CB-CG 4.49Å; A849-K852 PolarHBondContact O-N 2.78Å; K852-V854 PolarHBondContact O-N 2.77Å |
| 853 | W | 85.5 | Confident | 80.1 | Confident | 33 Ų | 33 | 80.9 Ų | 80.9 | 13% | 0.125 | 43% | 0.425 | C | S | . | . | trans | -76.1 | 117.8 | 179.9 | -71.8 | 96.9 | 0 | 0 | 0 | 111.3 | W838 A840 V848 N881 K883 P890 | W838-W853 HydrophobicContact CB-CE3 3.84Å; W838-W853 HydrophobicContact CB-CZ3 4.35Å; W838-W853 HydrophobicContact CE3-CB 4.01Å; W838-W853 WeakPolarHBondContact O-CZ3 3.28Å; A840-W853 HydrophobicContact CB-CD2 4.1Å; A840-W853 HydrophobicContact CB-CE3 3.98Å; A840-W853 HydrophobicContact CB-CZ3 4.33Å; V848-W853 HydrophobicContact CB-CZ2 3.86Å; V848-W853 HydrophobicContact CG1-CD2 4.12Å; V848-W853 HydrophobicContact CG1-CG 4.24Å; V848-W853 HydrophobicContact CG1-CZ2 4Å; V848-W853 VanDerWaalsContact CG1-NE1 3.3Å; V848-W853 HydrophobicContact CG2-CZ2 4.05Å; W853-N881 HydrophobicContact CH2-CB 3.63Å; W853-N881 HydrophobicContact CZ2-CB 4.37Å; W853-N881 HydrophobicContact CZ3-CB 4.14Å; W853-K883 HydrophobicContact CH2-CD 3.71Å; W853-K883 HydrophobicContact CH2-CG 3.74Å; W853-K883 HydrophobicContact CZ2-CD 3.92Å; W853-K883 HydrophobicContact CZ2-CG 4.43Å; W853-K883 HydrophobicContact CZ3-CB 4.4Å; W853-K883 HydrophobicContact CZ3-CD 4.03Å; W853-K883 HydrophobicContact CZ3-CG 3.93Å; W853-P890 HydrophobicContact CH2-CB 3.83Å; W853-P890 HydrophobicContact CZ2-CB 4.3Å | ||
| 854 | V | 87.3 | Confident | 80.5 | Confident | 58 Ų | 58 | 78.5 Ų | 78.5 | 35% | 0.352 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.9 | 174.6 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | W838 V839 K852 A856 V862 L864 | W838-V854 CarbonylContact C-O 3.51Å; W838-V854 WeakPolarHBondContact CA-O 3.3Å; V839-V854 HydrophobicContact CG2-CB 4.32Å; V839-V854 WeakPolarHBondContact CG2-O 3.19Å; V839-V854 PolarHBondContact N-O 2.73Å; V839-V854 PolarHBondContact O-N 3.41Å; K852-V854 PolarHBondContact O-N 2.77Å; V854-A856 PolarHBondContact O-N 2.75Å; V854-V862 HydrophobicContact CB-CG1 4.35Å; V854-V862 HydrophobicContact CG1-CG1 3.77Å; V854-V862 HydrophobicContact CG1-CG2 4.47Å; V854-L864 HydrophobicContact CG2-CD2 3.98Å |
| 855 | C | 88.7 | Confident | 80.8 | Confident | 43 Ų | 43 | 75.8 Ų | 75.8 | 29% | 0.291 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 107.4 | 174.7 | -173.7 | 0 | 0 | 0 | 0 | 109.8 | W838 | W838-C855 HydrophobicContact CD2-CB 3.99Å; W838-C855 HydrophobicContact CE3-CB 3.84Å; W838-C855 HydrophobicContact CH2-CB 3.95Å; W838-C855 HydrophobicContact CZ2-CB 4.05Å; W838-C855 HydrophobicContact CZ3-CB 3.84Å |
| 856 | A | 86.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 108.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | N831 P836 L837 V839 V854 V862 | N831-A856 HydrophobicContact CB-CB 4.29Å; N831-A856 PolarHBondContact ND2-O 2.56Å; P836-A856 WeakPolarHBondContact CA-O 3.25Å; L837-A856 PolarHBondContact N-O 3.42Å; L837-A856 WeakPolarHBondContact O-CA 3.24Å; L837-A856 WeakPolarHBondContact O-CB 3.48Å; L837-A856 PolarHBondContact O-N 3.05Å; V839-A856 HydrophobicContact CG2-CB 3.77Å; V854-A856 PolarHBondContact O-N 2.75Å; A856-V862 HydrophobicContact CB-CG2 3.68Å |
| 857 | K | 87 | Confident | 80.3 | Confident | 132 Ų | 132 | 76.7 Ų | 76.7 | 57% | 0.574 | 41% | 0.407 | S | S | * | . | trans | -67.9 | 158.8 | 176.2 | -62 | 174.7 | -176.7 | 172.9 | 0 | 110.8 | E859 E860 | K857-E859 PolarHBondContact O-N 3.28Å; K857-E860 HydrophobicContact CB-CB 4.15Å; K857-E860 WeakPolarHBondContact CB-OE2 3.34Å; K857-E860 WeakPolarHBondContact CG-OE2 3.12Å; K857-E860 PolarHBondContact N-OE2 3.24Å; K857-E860 VanDerWaalsContact O-CB 3.23Å; K857-E860 WeakPolarHBondContact O-CB 3.11Å; K857-E860 PolarHBondContact O-N 2.66Å | ||
| 858 | P | 81.4 | Confident | 79.2 | Confident | 56 Ų | 56 | 69.2 Ų | 69.2 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 133.4 | 173.8 | -23.8 | 33.5 | 0 | 0 | 0 | 111.8 | G834 E860 | G834-P858 WeakPolarHBondContact O-CG 3.07Å; P858-E860 PolarHBondContact O-N 2.85Å |
| 859 | E | 79.7 | Confident | 77.7 | Confident | 114 Ų | 114 | 74 Ų | 74 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 8.1 | -174.6 | -63.8 | -66.1 | 157 | 0 | 0 | 116.2 | N831 K857 | N831-E859 VanDerWaalsContact O-CA 3.27Å; N831-E859 WeakPolarHBondContact O-CA 3.43Å; N831-E859 PolarHBondContact O-N 2.79Å; K857-E859 PolarHBondContact O-N 3.28Å |
| 860 | E | 81.8 | Confident | 76.1 | Confident | 80 Ų | 80 | 80.7 Ų | 80.7 | 37% | 0.374 | 42% | 0.42 | S | S | . | . | trans | -80.8 | 142.9 | 173.7 | -167.5 | 173 | -162.8 | 0 | 0 | 111.7 | N831 K857 P858 V862 | N831-E860 PolarHBondContact N-O 3.17Å; K857-E860 HydrophobicContact CB-CB 4.15Å; K857-E860 WeakPolarHBondContact CB-OE2 3.34Å; K857-E860 WeakPolarHBondContact CG-OE2 3.12Å; K857-E860 PolarHBondContact N-OE2 3.24Å; K857-E860 VanDerWaalsContact O-CB 3.23Å; K857-E860 WeakPolarHBondContact O-CB 3.11Å; K857-E860 PolarHBondContact O-N 2.66Å; P858-E860 PolarHBondContact O-N 2.85Å; E860-V862 HydrophobicContact CG-CG2 4.3Å | ||
| 861 | N | 81.3 | Confident | 74.5 | Confident | 92 Ų | 92 | 82.2 Ų | 82.2 | 49% | 0.492 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 113.2 | 170.6 | -72.7 | -25.2 | 0 | 0 | 0 | 109.1 | I829 K830 | I829-N861 CarbonylContact O-C 3.56Å; I829-N861 WeakPolarHBondContact O-CA 3.18Å; K830-N861 WeakPolarHBondContact CB-OD1 3.2Å; K830-N861 VanDerWaalsContact CD-OD1 3.28Å; K830-N861 WeakPolarHBondContact CD-OD1 3.33Å; K830-N861 WeakPolarHBondContact CG-OD1 3.42Å |
| 862 | V | 87.2 | Confident | 72.4 | Confident | 13 Ų | 13 | 83.1 Ų | 83.1 | 8% | 0.079 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 134.2 | 177.8 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | R828 I829 V839 V854 A856 E860 L864 | R828-V862 CarbonylContact C-O 3.6Å; R828-V862 WeakPolarHBondContact CA-O 3.27Å; I829-V862 PolarHBondContact N-O 2.7Å; I829-V862 PolarHBondContact O-N 2.58Å; V839-V862 HydrophobicContact CG2-CG1 4.44Å; V854-V862 HydrophobicContact CB-CG1 4.35Å; V854-V862 HydrophobicContact CG1-CG1 3.77Å; V854-V862 HydrophobicContact CG1-CG2 4.47Å; A856-V862 HydrophobicContact CB-CG2 3.68Å; E860-V862 HydrophobicContact CG-CG2 4.3Å; V862-L864 HydrophobicContact CG1-CD2 4.12Å; V862-L864 HydrophobicContact CG1-CG 4.33Å |
| 863 | L | 86.2 | Confident | 70.6 | Confident | 101 Ų | 101 | 88.8 Ų | 88.8 | 53% | 0.529 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 127.2 | 176 | -165.7 | 78.7 | 0 | 0 | 0 | 109.8 | C826 C827 R828 L938 | C826-L863 HydrophobicContact CB-CD1 4.32Å; C827-L863 CarbonylContact O-C 3.54Å; C827-L863 WeakPolarHBondContact O-CA 3.37Å; R828-L863 HydrophobicContact CB-CD1 3.91Å; R828-L863 HydrophobicContact CG-CD1 4.39Å; L863-L938 HydrophobicContact CD1-CD1 3.9Å |
| 864 | L | 83.3 | Confident | 68.4 | Low | 22 Ų | 22 | 95 Ų | 95 | 12% | 0.115 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 119.2 | 177.4 | -60.7 | 178.8 | 0 | 0 | 0 | 109.5 | C826 C827 I829 M841 V854 V862 L880 | C826-L864 CarbonylContact C-O 3.51Å; C827-L864 PolarHBondContact N-O 3.42Å; C827-L864 PolarHBondContact O-N 3.38Å; I829-L864 HydrophobicContact CD1-CD1 3.47Å; I829-L864 VanDerWaalsContact CD1-CD1 3.47Å; I829-L864 HydrophobicContact CD1-CG 4.06Å; M841-L864 HydrophobicContact CB-CB 4.18Å; M841-L864 HydrophobicContact CB-CD1 3.96Å; V854-L864 HydrophobicContact CG2-CD2 3.98Å; V862-L864 HydrophobicContact CG1-CD2 4.12Å; V862-L864 HydrophobicContact CG1-CG 4.33Å; L864-L880 HydrophobicContact CD1-CD1 4.46Å |
| 865 | S | 75.9 | Confident | 66.4 | Low | 98 Ų | 98 | 97.4 Ų | 97.4 | 69% | 0.685 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 144.3 | 175.4 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 866 | Y | 67.4 | Low | 64.5 | Low | 34 Ų | 34 | 98.7 Ų | 98.7 | 13% | 0.133 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 150.3 | 176 | 63.4 | -86.9 | 0 | 0 | 0 | 110.8 | A825 C827 M841 V868 H878 H939 | A825-Y866 HydrophobicContact CB-CE1 4.46Å; A825-Y866 HydrophobicContact CB-CE2 4.1Å; A825-Y866 PolarHBondContact N-O 3.03Å; A825-Y866 PolarHBondContact O-N 3.48Å; A825-Y866 VanDerWaalsContact O-N 3.11Å; C827-Y866 HydrophobicContact CB-CE1 4.16Å; M841-Y866 HydrophobicContact CG-CD1 4.11Å; M841-Y866 HydrophobicContact CG-CG 4.43Å; Y866-V868 HydrophobicContact CD2-CG2 4.39Å; Y866-V868 HydrophobicContact CE2-CG2 3.98Å; Y866-H878 AromaticContact CD2-CD2 3.33Å; Y866-H878 WeakPolarHBondContact CD2-CD2 3.27Å; Y866-H878 AromaticContact CD2-CE1 3.74Å; Y866-H878 AromaticContact CD2-CG 3.79Å; Y866-H878 AromaticContact CD2-NE2 3.29Å; Y866-H878 VanDerWaalsContact CD2-NE2 3.29Å; Y866-H878 WeakPolarHBondContact CD2-NE2 3.48Å; Y866-H878 AromaticContact CE2-CD2 3.98Å; Y866-H878 AromaticContact CE2-CG 3.97Å; Y866-H878 AromaticContact CG-CD2 3.73Å; Y866-H878 AromaticContact CG-NE2 3.98Å; Y866-H939 PolarHBondContact OH-CE1 2.69Å; Y866-H939 PolarHBondContact OH-ND1 3.26Å |
| 867 | S | 63.1 | Low | 63.3 | Low | 78 Ų | 78 | 102.2 Ų | 102.2 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 141.5 | 178.7 | 49.7 | 0 | 0 | 0 | 0 | 111 | H878 | S867-H878 PolarHBondContact O-NE2 2.97Å |
| 868 | V | 51.8 | Low | 62.5 | Low | 40 Ų | 40 | 97.1 Ų | 97.1 | 24% | 0.242 | 49% | 0.485 | C | S | . | . | trans | -109.4 | 96.8 | 172.9 | -174.4 | 0 | 0 | 0 | 0 | 107.4 | A825 Y866 Y870 | A825-V868 HydrophobicContact CB-CG2 3.41Å; A825-V868 VanDerWaalsContact CB-CG2 3.41Å; Y866-V868 HydrophobicContact CD2-CG2 4.39Å; Y866-V868 HydrophobicContact CE2-CG2 3.98Å; V868-Y870 HydrophobicContact CB-CE2 4.16Å; V868-Y870 HydrophobicContact CG1-CD1 4.49Å; V868-Y870 HydrophobicContact CG1-CD2 4Å; V868-Y870 HydrophobicContact CG1-CE1 4.12Å; V868-Y870 HydrophobicContact CG1-CE2 3.57Å; V868-Y870 HydrophobicContact CG1-CG 4.44Å; V868-Y870 PolarHBondContact O-N 3.33Å | ||
| 869 | D | 45.3 | Very low | 62.5 | Low | 128 Ų | 128 | 95.4 Ų | 95.4 | 68% | 0.684 | 47% | 0.472 | S | S | * | . | trans | -82 | 110.6 | 170.7 | -72.4 | -42.2 | 0 | 0 | 0 | 108.6 | F871 | D869-F871 PolarHBondContact O-N 3.45Š| ||
| 870 | Y | 45.3 | Very low | 62.8 | Low | 184 Ų | 184 | 90 Ų | 90 | 72% | 0.722 | 45% | 0.447 | S | S | * | . | trans | -80.4 | 1.7 | 174.8 | -72.2 | -82.8 | 0 | 0 | 0 | 112.9 | V868 | V868-Y870 HydrophobicContact CB-CE2 4.16Å; V868-Y870 HydrophobicContact CG1-CD1 4.49Å; V868-Y870 HydrophobicContact CG1-CD2 4Å; V868-Y870 HydrophobicContact CG1-CE1 4.12Å; V868-Y870 HydrophobicContact CG1-CE2 3.57Å; V868-Y870 HydrophobicContact CG1-CG 4.44Å; V868-Y870 PolarHBondContact O-N 3.33Å | ||
| 871 | F | 40.6 | Very low | 63.1 | Low | 181 Ų | 181 | 86.5 Ų | 86.5 | 79% | 0.794 | 43% | 0.431 | S | S | * | . | trans | -102.1 | -1.8 | -162.8 | -76.1 | -74.8 | 0 | 0 | 0 | 116.4 | D869 | D869-F871 PolarHBondContact O-N 3.45Š| ||
| 872 | E | 36 | Very low | 63.4 | Low | 155 Ų | 155 | 82.1 Ų | 82.1 | 72% | 0.724 | 41% | 0.408 | S | S | * | . | trans | -118.4 | 132.3 | 178.7 | -69.9 | -172.8 | 164.1 | 0 | 0 | 112.4 | E874 | E872-E874 PolarHBondContact O-N 2.66Å; E872-E874 VanDerWaalsContact O-N 3.09Å | ||
| 873 | K | 42.1 | Very low | 63.4 | Low | 222 Ų | 222 | 83.1 Ų | 83.1 | 97% | 0.965 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -69.7 | 2.6 | -173.2 | -82.3 | -176.9 | 172.2 | -178.5 | 0 | 115 | ||
| 874 | E | 39.9 | Very low | 63.2 | Low | 165 Ų | 165 | 79 Ų | 79 | 77% | 0.771 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -102.1 | 122.6 | 171 | -67.5 | -171.5 | 169.7 | 0 | 0 | 107.6 | E872 V876 | E872-E874 PolarHBondContact O-N 2.66Å; E872-E874 VanDerWaalsContact O-N 3.09Å; E874-V876 VanDerWaalsContact C-N 3.29Å; E874-V876 WeakPolarHBondContact O-CG2 3.26Å; E874-V876 PolarHBondContact O-N 3.3Å |
| 875 | D | 44.6 | Very low | 63.1 | Low | 108 Ų | 108 | 79.2 Ų | 79.2 | 58% | 0.578 | 40% | 0.395 | S | S | * | . | trans | -54.8 | 93.1 | 174.7 | -97.9 | -57 | 0 | 0 | 0 | 109.5 | F877 K896 | D875-F877 HydrophobicContact CB-CD1 4.41Å; D875-F877 HydrophobicContact CB-CD2 4.05Å; D875-F877 HydrophobicContact CB-CE1 3.8Å; D875-F877 HydrophobicContact CB-CE2 3.4Å; D875-F877 HydrophobicContact CB-CZ 3.25Å; D875-F877 WeakPolarHBondContact O-CD2 3.33Å; D875-F877 WeakPolarHBondContact O-CE2 3.35Å; D875-F877 PolarHBondContact O-N 2.97Å; D875-K896 IonicContact OD1-NZ 2.8Å; D875-K896 PolarHBondContact OD1-NZ 3.33Å | ||
| 876 | V | 48.7 | Very low | 62.9 | Low | 70 Ų | 70 | 78 Ų | 78 | 42% | 0.424 | 39% | 0.385 | S | S | . | . | trans | -74.7 | 85 | 173.2 | -173.1 | 0 | 0 | 0 | 0 | 107.3 | N843 E874 H878 | N843-V876 HydrophobicContact CB-CG1 3.84Å; N843-V876 VanDerWaalsContact CG-CG1 3.45Å; N843-V876 WeakPolarHBondContact ND2-CG1 3.38Å; E874-V876 VanDerWaalsContact C-N 3.29Å; E874-V876 WeakPolarHBondContact O-CG2 3.26Å; E874-V876 PolarHBondContact O-N 3.3Å; V876-H878 PolarHBondContact O-ND1 2.71Å | ||
| 877 | F | 60.5 | Low | 63.2 | Low | 73 Ų | 73 | 85.3 Ų | 85.3 | 32% | 0.32 | 42% | 0.42 | S | S | . | . | trans | -67.2 | 142.5 | 173.3 | -53.6 | -78.8 | 0 | 0 | 0 | 109.6 | N843 Y844 D875 K896 | N843-F877 CarbonylContact C-O 3.41Å; Y844-F877 VanDerWaalsContact CB-O 3.27Å; Y844-F877 WeakPolarHBondContact CB-O 3.31Å; Y844-F877 PolarHBondContact N-O 3.38Å; D875-F877 HydrophobicContact CB-CD1 4.41Å; D875-F877 HydrophobicContact CB-CD2 4.05Å; D875-F877 HydrophobicContact CB-CE1 3.8Å; D875-F877 HydrophobicContact CB-CE2 3.4Å; D875-F877 HydrophobicContact CB-CZ 3.25Å; D875-F877 WeakPolarHBondContact O-CD2 3.33Å; D875-F877 WeakPolarHBondContact O-CE2 3.35Å; D875-F877 PolarHBondContact O-N 2.97Å; F877-K896 HydrophobicContact CD1-CD 3.6Å; F877-K896 HydrophobicContact CE1-CD 3.87Å | ||
| 878 | H | 69.9 | Low | 63.7 | Low | 26 Ų | 26 | 82.3 Ų | 82.3 | 12% | 0.12 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 136.4 | 171.8 | -69.8 | 67.8 | 0 | 0 | 0 | 109.7 | M841 Q842 N843 Y866 S867 V876 T895 | M841-H878 HydrophobicContact SD-CB 4.33Å; Q842-H878 CarbonylContact O-C 3.56Å; Q842-H878 WeakPolarHBondContact O-CA 3.19Å; N843-H878 PolarHBondContact OD1-NE2 3.3Å; Y866-H878 AromaticContact CD2-CD2 3.33Å; Y866-H878 WeakPolarHBondContact CD2-CD2 3.27Å; Y866-H878 AromaticContact CD2-CE1 3.74Å; Y866-H878 AromaticContact CD2-CG 3.79Å; Y866-H878 AromaticContact CD2-NE2 3.29Å; Y866-H878 VanDerWaalsContact CD2-NE2 3.29Å; Y866-H878 WeakPolarHBondContact CD2-NE2 3.48Å; Y866-H878 AromaticContact CE2-CD2 3.98Å; Y866-H878 AromaticContact CE2-CG 3.97Å; Y866-H878 AromaticContact CG-CD2 3.73Å; Y866-H878 AromaticContact CG-NE2 3.98Å; S867-H878 PolarHBondContact O-NE2 2.97Å; V876-H878 PolarHBondContact O-ND1 2.71Å; H878-T895 PolarHBondContact O-OG1 3.37Å; H878-T895 VanDerWaalsContact O-OG1 3.04Å |
| 879 | E | 81.7 | Confident | 64.9 | Low | 19 Ų | 19 | 88.5 Ų | 88.5 | 9% | 0.089 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 137.1 | 178.1 | -63.5 | -169.3 | 127.3 | 0 | 0 | 111.2 | Q842 Y844 | Q842-E879 PolarHBondContact N-O 3.4Å; Q842-E879 VanDerWaalsContact N-O 3.15Å; Q842-E879 PolarHBondContact O-N 2.92Å; Y844-E879 HydrophobicContact CD2-CG 3.61Å; Y844-E879 WeakPolarHBondContact CD2-OE1 3.29Å; Y844-E879 HydrophobicContact CE2-CG 4.49Å; Y844-E879 WeakPolarHBondContact CE2-OE1 3.4Å; Y844-E879 HydrophobicContact CG-CG 4.31Å |
| 880 | L | 86.3 | Confident | 66.5 | Low | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 118.9 | 168.5 | 175.6 | 63.9 | 0 | 0 | 0 | 109.3 | I829 V839 M841 L864 L882 V893 T895 V941 | I829-L880 HydrophobicContact CD1-CD1 3.4Å; I829-L880 VanDerWaalsContact CD1-CD1 3.4Å; I829-L880 HydrophobicContact CD1-CD2 4.19Å; I829-L880 HydrophobicContact CD1-CG 4.45Å; I829-L880 HydrophobicContact CG1-CD1 4.16Å; I829-L880 HydrophobicContact CG1-CD2 4.04Å; I829-L880 HydrophobicContact CG2-CD2 4.44Å; V839-L880 HydrophobicContact CB-CD1 4.25Å; V839-L880 HydrophobicContact CG1-CD1 4.21Å; M841-L880 HydrophobicContact SD-CB 4.39Å; L864-L880 HydrophobicContact CD1-CD1 4.46Å; L880-L882 HydrophobicContact CD2-CD2 4.39Å; L880-L882 HydrophobicContact CG-CD2 4.4Å; L880-L882 HydrophobicContact CG-CG 4.38Å; L880-V893 HydrophobicContact CB-CB 4.23Å; L880-V893 PolarHBondContact N-O 3.22Å; L880-V893 PolarHBondContact O-N 3.07Å; L880-T895 HydrophobicContact CB-CG2 3.98Å; L880-V941 HydrophobicContact CD2-CB 4.19Å; L880-V941 HydrophobicContact CD2-CG1 3.89Å; L880-V941 HydrophobicContact CD2-CG2 4.26Å |
| 881 | N | 88.6 | Confident | 68.4 | Low | 7 Ų | 7 | 77.6 Ų | 77.6 | 4% | 0.037 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 135.2 | 176.5 | -65.9 | -80.9 | 0 | 0 | 0 | 110.5 | V839 A840 V848 W853 K892 | V839-N881 VanDerWaalsContact CA-O 3.32Å; V839-N881 WeakPolarHBondContact CA-O 3.39Å; A840-N881 PolarHBondContact N-O 2.99Å; A840-N881 VanDerWaalsContact N-O 3.11Å; A840-N881 PolarHBondContact O-N 2.91Å; V848-N881 HydrophobicContact CG2-CB 4.11Å; V848-N881 WeakPolarHBondContact CG2-ND2 3.29Å; W853-N881 HydrophobicContact CH2-CB 3.63Å; W853-N881 HydrophobicContact CZ2-CB 4.37Å; W853-N881 HydrophobicContact CZ3-CB 4.14Å; N881-K892 WeakPolarHBondContact OD1-CG 3.49Å |
| 882 | L | 88.1 | Confident | 70.5 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 131.7 | -174.2 | -65.7 | 168.7 | 0 | 0 | 0 | 111.8 | W838 V839 L880 P890 L891 V893 I943 | W838-L882 CarbonylContact O-C 3.59Å; W838-L882 VanDerWaalsContact O-CA 3.32Å; W838-L882 WeakPolarHBondContact O-CA 3.38Å; V839-L882 HydrophobicContact CG1-CD2 3.24Å; L880-L882 HydrophobicContact CD2-CD2 4.39Å; L880-L882 HydrophobicContact CG-CD2 4.4Å; L880-L882 HydrophobicContact CG-CG 4.38Å; L882-P890 CarbonylContact O-C 3.36Å; L882-P890 WeakPolarHBondContact O-CA 3.44Å; L882-L891 HydrophobicContact CB-CB 4.23Å; L882-L891 HydrophobicContact CD1-CD2 4.47Å; L882-L891 PolarHBondContact N-O 3.34Å; L882-L891 PolarHBondContact O-N 2.68Å; L882-V893 HydrophobicContact CD1-CG2 3.54Å; L882-V893 HydrophobicContact CG-CG2 4.47Å; L882-I943 HydrophobicContact CD1-CD1 3.57Å; L882-I943 HydrophobicContact CD1-CG1 4.47Å; L882-I943 HydrophobicContact CD2-CD1 3.31Å; L882-I943 HydrophobicContact CG-CD1 4.09Å |
| 883 | K | 86.8 | Confident | 72.6 | Confident | 33 Ų | 33 | 65.8 Ų | 65.8 | 14% | 0.143 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 138.9 | 170.6 | -66.6 | 174.7 | 172.2 | -174.3 | 0 | 111.7 | W838 W853 S885 P886 A888 P890 | W838-K883 HydrophobicContact CB-CB 4.19Å; W838-K883 PolarHBondContact N-O 3.31Å; W838-K883 PolarHBondContact O-N 3.45Å; W853-K883 HydrophobicContact CH2-CD 3.71Å; W853-K883 HydrophobicContact CH2-CG 3.74Å; W853-K883 HydrophobicContact CZ2-CD 3.92Å; W853-K883 HydrophobicContact CZ2-CG 4.43Å; W853-K883 HydrophobicContact CZ3-CB 4.4Å; W853-K883 HydrophobicContact CZ3-CD 4.03Å; W853-K883 HydrophobicContact CZ3-CG 3.93Å; K883-S885 WeakPolarHBondContact CB-O 3.48Å; K883-P886 PolarHBondContact NZ-O 3.48Å; K883-A888 WeakPolarHBondContact CD-O 3.3Å; K883-A888 WeakPolarHBondContact CE-O 3.4Å; K883-P890 HydrophobicContact CD-CB 4.38Å; K883-P890 HydrophobicContact CG-CB 3.84Å |
| 884 | A | 82.3 | Confident | 74.3 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 12% | 0.124 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -77 | -22.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | I835 L905 A906 V907 | I835-A884 HydrophobicContact CD1-CB 4.4Å; A884-L905 HydrophobicContact CB-CD2 4.19Å; A884-L905 HydrophobicContact CB-CG 4.31Å; A884-A906 WeakPolarHBondContact CB-O 3.42Å; A884-V907 HydrophobicContact CB-CG2 4.4Å |
| 885 | S | 79.9 | Confident | 75.8 | Confident | 27 Ų | 27 | 48.6 Ų | 48.6 | 19% | 0.189 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -148.9 | 158.4 | 173.4 | 77.2 | 0 | 0 | 0 | 0 | 110.5 | K883 H887 A888 | K883-S885 WeakPolarHBondContact CB-O 3.48Å; S885-H887 PolarHBondContact O-N 2.92Å; S885-H887 VanDerWaalsContact O-N 3.11Å; S885-A888 WeakPolarHBondContact O-CB 3.4Å; S885-A888 PolarHBondContact O-N 3.25Å; S885-A888 PolarHBondContact OG-N 3.06Å |
| 886 | P | 72.7 | Confident | 76.9 | Confident | 73 Ų | 73 | 49.2 Ų | 49.2 | 47% | 0.474 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -34.7 | -177.8 | -25.4 | 33.9 | 0 | 0 | 0 | 113.6 | W838 K883 | W838-P886 HydrophobicContact CZ2-CG 4.11Å; K883-P886 PolarHBondContact NZ-O 3.48Å |
| 887 | H | 73.2 | Confident | 77.9 | Confident | 186 Ų | 186 | 52.9 Ų | 52.9 | 86% | 0.861 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -2.4 | -178 | -54.5 | -59.4 | 0 | 0 | 0 | 114.3 | S885 | S885-H887 PolarHBondContact O-N 2.92Å; S885-H887 VanDerWaalsContact O-N 3.11Å |
| 888 | A | 73.1 | Confident | 78.4 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -79.5 | 153.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K883 S885 | K883-A888 WeakPolarHBondContact CD-O 3.3Å; K883-A888 WeakPolarHBondContact CE-O 3.4Å; S885-A888 WeakPolarHBondContact O-CB 3.4Å; S885-A888 PolarHBondContact O-N 3.25Å; S885-A888 PolarHBondContact OG-N 3.06Å |
| 889 | E | 77.2 | Confident | 78.6 | Confident | 171 Ų | 171 | 53.9 Ų | 53.9 | 80% | 0.799 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 136.6 | 171.9 | -73.1 | -171.1 | 158.9 | 0 | 0 | 111.1 | ||
| 890 | P | 79.7 | Confident | 78.4 | Confident | 57 Ų | 57 | 55.4 Ų | 55.4 | 37% | 0.37 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 127.2 | -178.3 | 28.8 | -31.5 | 0 | 0 | 0 | 112.6 | W853 L882 K883 | W853-P890 HydrophobicContact CH2-CB 3.83Å; W853-P890 HydrophobicContact CZ2-CB 4.3Å; L882-P890 CarbonylContact O-C 3.36Å; L882-P890 WeakPolarHBondContact O-CA 3.44Å; K883-P890 HydrophobicContact CD-CB 4.38Å; K883-P890 HydrophobicContact CG-CB 3.84Å |
| 891 | L | 84.2 | Confident | 77.8 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 125.1 | 168.4 | 179.9 | 69.1 | 0 | 0 | 0 | 110.2 | L882 K903 P904 L905 I927 | L882-L891 HydrophobicContact CB-CB 4.23Å; L882-L891 HydrophobicContact CD1-CD2 4.47Å; L882-L891 PolarHBondContact N-O 3.34Å; L882-L891 PolarHBondContact O-N 2.68Å; L891-K903 HydrophobicContact CD1-CB 4.19Å; L891-K903 HydrophobicContact CD1-CD 3.79Å; L891-K903 HydrophobicContact CD2-CB 3.89Å; L891-K903 HydrophobicContact CD2-CD 4.38Å; L891-K903 HydrophobicContact CG-CD 4.22Å; L891-P904 WeakPolarHBondContact CD1-O 3.43Å; L891-L905 HydrophobicContact CB-CD1 4.2Å; L891-L905 HydrophobicContact CD2-CD1 4.11Å; L891-I927 HydrophobicContact CD2-CD1 3.66Å; L891-I927 HydrophobicContact CD2-CG1 4.32Å |
| 892 | K | 85.2 | Confident | 77.2 | Confident | 87 Ų | 87 | 57 Ų | 57 | 38% | 0.378 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 132.9 | -177.2 | -51.6 | -170 | 173.6 | -174.1 | 0 | 112.1 | N881 K903 | N881-K892 WeakPolarHBondContact OD1-CG 3.49Å; K892-K903 PolarHBondContact O-NZ 3.18Å |
| 893 | V | 79.7 | Confident | 76.9 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 121.2 | -179.2 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | L880 L882 Y901 C929 V931 | L880-V893 HydrophobicContact CB-CB 4.23Å; L880-V893 PolarHBondContact N-O 3.22Å; L880-V893 PolarHBondContact O-N 3.07Å; L882-V893 HydrophobicContact CD1-CG2 3.54Å; L882-V893 HydrophobicContact CG-CG2 4.47Å; V893-Y901 HydrophobicContact CG1-CE2 4.33Å; V893-Y901 WeakPolarHBondContact CG1-OH 3.39Å; V893-C929 HydrophobicContact CG1-CB 4.47Å; V893-V931 HydrophobicContact CG1-CG2 4.36Å |
| 894 | C | 78.9 | Confident | 76.7 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 123.7 | 179.5 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | R897 Y901 | C894-R897 HydrophobicContact CB-CB 4.34Å; C894-R897 HydrophobicContact CB-CG 4.09Å; C894-Y901 PolarHBondContact O-OH 3.3Å |
| 895 | T | 70.6 | Confident | 76.8 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -23.3 | -177.4 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | M841 H878 L880 R897 V931 | M841-T895 HydrophobicContact CE-CG2 3.74Å; M841-T895 HydrophobicContact SD-CG2 3.87Å; H878-T895 PolarHBondContact O-OG1 3.37Å; H878-T895 VanDerWaalsContact O-OG1 3.04Å; L880-T895 HydrophobicContact CB-CG2 3.98Å; T895-R897 PolarHBondContact O-N 3.44Å; T895-V931 VanDerWaalsContact O-CG1 3.26Å; T895-V931 WeakPolarHBondContact O-CG1 3.23Å |
| 896 | K | 68.3 | Low | 76.9 | Confident | 120 Ų | 120 | 58.9 Ų | 58.9 | 52% | 0.522 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -19.6 | 174.4 | -133.1 | 176.6 | 178 | -176.6 | 0 | 112 | D875 F877 V898 | D875-K896 IonicContact OD1-NZ 2.8Å; D875-K896 PolarHBondContact OD1-NZ 3.33Å; F877-K896 HydrophobicContact CD1-CD 3.6Å; F877-K896 HydrophobicContact CE1-CD 3.87Å; K896-V898 PolarHBondContact O-N 3.37Å |
| 897 | R | 68.9 | Low | 77.2 | Confident | 148 Ų | 148 | 56.2 Ų | 56.2 | 56% | 0.558 | 29% | 0.291 | S | S | * | . | trans | -87.8 | 84.7 | -178.7 | -70.5 | -174.7 | -175.3 | -169.7 | 0.2 | 112 | C894 T895 V931 | C894-R897 HydrophobicContact CB-CB 4.34Å; C894-R897 HydrophobicContact CB-CG 4.09Å; T895-R897 PolarHBondContact O-N 3.44Å; R897-V931 WeakPolarHBondContact O-CB 3.31Å | ||
| 898 | V | 70.7 | Confident | 77.3 | Confident | 91 Ų | 91 | 50.4 Ų | 50.4 | 55% | 0.552 | 27% | 0.27 | S | S | * | . | trans | -65.3 | 129.1 | 175.4 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | K896 V931 V933 | K896-V898 PolarHBondContact O-N 3.37Å; V898-V931 WeakPolarHBondContact CA-O 3.42Å; V898-V931 WeakPolarHBondContact CG1-O 3.44Å; V898-V933 HydrophobicContact CG2-CG2 3.49Å; V898-V933 VanDerWaalsContact CG2-CG2 3.49Å | ||
| 899 | G | 75.4 | Confident | 77.2 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.5 | 176 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | A930 V931 | G899-A930 CarbonylContact O-C 3.51Å; G899-A930 WeakPolarHBondContact O-CA 3.41Å; G899-V931 PolarHBondContact N-O 3.49Å; G899-V931 PolarHBondContact O-N 3.17Å |
| 900 | S | 76.2 | Confident | 77 | Confident | 51 Ų | 51 | 45 Ų | 45 | 36% | 0.357 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130 | 175.4 | -64.3 | 0 | 0 | 0 | 0 | 110.5 | C929 A930 F1044 | S900-C929 WeakPolarHBondContact CA-O 3.34Å; S900-A930 VanDerWaalsContact OG-CB 3.31Å; S900-A930 WeakPolarHBondContact OG-CB 3.43Å; S900-F1044 VanDerWaalsContact O-CD1 3.24Å; S900-F1044 WeakPolarHBondContact O-CD1 3.29Å; S900-F1044 WeakPolarHBondContact O-CE1 3.46Å |
| 901 | Y | 74.4 | Confident | 76.3 | Confident | 37 Ų | 37 | 44.5 Ų | 44.5 | 15% | 0.145 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 156.3 | 179.3 | 45.2 | -91 | 0 | 0 | 0 | 111.6 | V893 C894 K903 K928 C929 V931 | V893-Y901 HydrophobicContact CG1-CE2 4.33Å; V893-Y901 WeakPolarHBondContact CG1-OH 3.39Å; C894-Y901 PolarHBondContact O-OH 3.3Å; Y901-K903 HydrophobicContact CD2-CG 4.14Å; Y901-K903 HydrophobicContact CE2-CG 4.4Å; Y901-K928 WeakPolarHBondContact O-CA 3.4Å; Y901-C929 HydrophobicContact CD2-CB 4.11Å; Y901-C929 HydrophobicContact CE2-CB 3.8Å; Y901-C929 PolarHBondContact N-O 2.88Å; Y901-C929 PolarHBondContact O-N 3.3Å; Y901-V931 HydrophobicContact CE1-CG2 4.25Å |
| 902 | C | 76.6 | Confident | 75.1 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 139 | 175.6 | -82.6 | 0 | 0 | 0 | 0 | 111.8 | I927 F1044 L1055 | C902-I927 CarbonylContact C-O 3.56Å; C902-I927 WeakPolarHBondContact CA-O 3.1Å; C902-F1044 HydrophobicContact CB-CD2 3.99Å; C902-F1044 WeakPolarHBondContact SG-CD2 3.49Å; C902-F1044 WeakPolarHBondContact SG-CE2 3.4Å; C902-L1055 HydrophobicContact CB-CB 4.14Å |
| 903 | K | 80.5 | Confident | 73.5 | Confident | 50 Ų | 50 | 48 Ų | 48 | 22% | 0.217 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 150 | 173.1 | -75.2 | -146.1 | 175 | -163.7 | 0 | 111.8 | L891 K892 Y901 I927 | L891-K903 HydrophobicContact CD1-CB 4.19Å; L891-K903 HydrophobicContact CD1-CD 3.79Å; L891-K903 HydrophobicContact CD2-CB 3.89Å; L891-K903 HydrophobicContact CD2-CD 4.38Å; L891-K903 HydrophobicContact CG-CD 4.22Å; K892-K903 PolarHBondContact O-NZ 3.18Å; Y901-K903 HydrophobicContact CD2-CG 4.14Å; Y901-K903 HydrophobicContact CE2-CG 4.4Å; K903-I927 HydrophobicContact CB-CG1 4.43Å; K903-I927 PolarHBondContact N-O 3Å; K903-I927 WeakPolarHBondContact O-CG1 3.38Å; K903-I927 PolarHBondContact O-N 3.03Å |
| 904 | P | 83.2 | Confident | 72.3 | Confident | 27 Ų | 27 | 52.9 Ų | 52.9 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 126.7 | 173.4 | 27.8 | -28.7 | 0 | 0 | 0 | 110.7 | L891 I924 L1055 | L891-P904 WeakPolarHBondContact CD1-O 3.43Å; P904-I924 HydrophobicContact CB-CG2 3.43Å; P904-I924 VanDerWaalsContact CB-CG2 3.43Å; P904-L1055 HydrophobicContact CB-CD1 3.98Å; P904-L1055 HydrophobicContact CG-CD1 4.23Å |
| 905 | L | 84.9 | Confident | 71.1 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.2 | 171.4 | -175.3 | 69.9 | 0 | 0 | 0 | 109.5 | L837 A884 L891 V907 V925 I927 L986 | L837-L905 HydrophobicContact CD2-CD2 3.84Å; A884-L905 HydrophobicContact CB-CD2 4.19Å; A884-L905 HydrophobicContact CB-CG 4.31Å; L891-L905 HydrophobicContact CB-CD1 4.2Å; L891-L905 HydrophobicContact CD2-CD1 4.11Å; L905-V907 HydrophobicContact CD2-CG2 4.24Å; L905-V907 HydrophobicContact CG-CG2 4.31Å; L905-V907 PolarHBondContact O-N 3.12Å; L905-V925 PolarHBondContact N-O 2.89Å; L905-V925 PolarHBondContact O-N 3.21Å; L905-I927 HydrophobicContact CB-CD1 4.03Å; L905-I927 HydrophobicContact CB-CG1 4.07Å; L905-I927 HydrophobicContact CB-CG2 4Å; L905-I927 HydrophobicContact CD2-CD1 4.34Å; L905-I927 HydrophobicContact CD2-CG2 4.12Å; L905-L986 HydrophobicContact CD2-CD1 4.12Å |
| 906 | A | 82.1 | Confident | 70.2 | Confident | 34 Ų | 34 | 61.6 Ų | 61.6 | 28% | 0.281 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 109.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A884 | A884-A906 WeakPolarHBondContact CB-O 3.42Å |
| 907 | V | 79 | Confident | 69.3 | Low | 18 Ų | 18 | 63.3 Ų | 63.3 | 11% | 0.109 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.6 | 179.1 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | I835 A884 L905 C909 L923 V925 | I835-V907 HydrophobicContact CD1-CG1 4.19Å; I835-V907 HydrophobicContact CD1-CG2 4.29Å; A884-V907 HydrophobicContact CB-CG2 4.4Å; L905-V907 HydrophobicContact CD2-CG2 4.24Å; L905-V907 HydrophobicContact CG-CG2 4.31Å; L905-V907 PolarHBondContact O-N 3.12Å; V907-C909 PolarHBondContact O-N 3.25Å; V907-L923 PolarHBondContact N-O 3.08Å; V907-L923 PolarHBondContact O-N 3.43Å; V907-V925 HydrophobicContact CB-CG2 4.24Å; V907-V925 HydrophobicContact CG2-CB 4.3Å; V907-V925 HydrophobicContact CG2-CG2 3.95Å |
| 908 | P | 74.4 | Confident | 68.7 | Low | 64 Ų | 64 | 60 Ų | 60 | 42% | 0.416 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 132.7 | 177 | 26.1 | -31.4 | 0 | 0 | 0 | 110.8 | ||
| 909 | C | 72 | Confident | 68.1 | Low | 23 Ų | 23 | 61.5 Ų | 61.5 | 16% | 0.155 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 163.4 | 170.9 | 97.2 | 0 | 0 | 0 | 0 | 111.3 | V907 T921 L923 | V907-C909 PolarHBondContact O-N 3.25Å; C909-T921 PolarHBondContact N-O 3.47Å; C909-T921 PolarHBondContact O-N 3.03Å; C909-L923 HydrophobicContact CB-CD1 3.85Å; C909-L923 HydrophobicContact CB-CG 4.45Å; C909-L923 WeakPolarHBondContact SG-CD1 3.47Å |
| 910 | V | 71.3 | Confident | 67.5 | Low | 48 Ų | 48 | 69.1 Ų | 69.1 | 29% | 0.291 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.6 | 178 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | K920 L968 | V910-K920 HydrophobicContact CG2-CG 4.28Å; V910-L968 HydrophobicContact CB-CB 4.44Å; V910-L968 PolarHBondContact O-N 2.9Å; V910-L968 VanDerWaalsContact O-N 3.08Å |
| 911 | V | 65.6 | Low | 67.1 | Low | 47 Ų | 47 | 69.6 Ų | 69.6 | 29% | 0.285 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.8 | 177.4 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | S913 M919 T921 G966 | V911-S913 PolarHBondContact O-N 3.46Å; V911-M919 PolarHBondContact N-O 3.26Å; V911-M919 PolarHBondContact O-N 3.5Å; V911-T921 HydrophobicContact CB-CG2 3.86Å; V911-T921 HydrophobicContact CG2-CG2 3.31Å; V911-G966 VanDerWaalsContact CA-O 3.31Å; V911-G966 WeakPolarHBondContact CA-O 3.32Å |
| 912 | Q | 60.1 | Low | 66.9 | Low | 129 Ų | 129 | 72.2 Ų | 72.2 | 60% | 0.603 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 106.1 | 168.4 | -88.6 | -180 | -14 | 0 | 0 | 109.2 | G966 L968 | Q912-G966 PolarHBondContact N-O 3.14Å; Q912-L968 HydrophobicContact CG-CD1 3.73Å |
| 913 | S | 51.8 | Low | 66.7 | Low | 58 Ų | 58 | 73.7 Ų | 73.7 | 41% | 0.406 | 44% | 0.444 | S | S | . | . | trans | -77.2 | 146.7 | 157.9 | 61.2 | 0 | 0 | 0 | 0 | 108.8 | V911 G915 Q917 | V911-S913 PolarHBondContact O-N 3.46Å; S913-G915 PolarHBondContact O-N 2.63Å; S913-Q917 PolarHBondContact OG-O 3.5Å | ||
| 914 | G | 52.6 | Low | 66.5 | Low | 102 Ų | 102 | 76.4 Ų | 76.4 | 100% | 1.052 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -62 | 27.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 915 | G | 54 | Low | 66.3 | Low | 49 Ų | 49 | 75.3 Ų | 75.3 | 51% | 0.505 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -143 | 150.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | S913 Q917 | S913-G915 PolarHBondContact O-N 2.63Å; G915-Q917 PolarHBondContact O-N 3.48Å |
| 916 | T | 52.8 | Low | 66.2 | Low | 161 Ų | 161 | 76.1 Ų | 76.1 | 99% | 0.988 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -47.9 | 4.7 | -164.9 | 42.5 | 0 | 0 | 0 | 0 | 119.8 | ||
| 917 | Q | 49.2 | Very low | 66.4 | Low | 156 Ų | 156 | 74.6 Ų | 74.6 | 73% | 0.729 | 45% | 0.445 | S | S | * | . | trans | -94.8 | 115.2 | 170.2 | -71.2 | -177.4 | -8.5 | 0 | 0 | 111.2 | S913 G915 M919 | S913-Q917 PolarHBondContact OG-O 3.5Å; G915-Q917 PolarHBondContact O-N 3.48Å; Q917-M919 PolarHBondContact O-N 2.76Å | ||
| 918 | S | 55.4 | Low | 66.8 | Low | 80 Ų | 80 | 75.6 Ų | 75.6 | 56% | 0.559 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 119.8 | 164.7 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 919 | M | 59 | Low | 67.4 | Low | 122 Ų | 122 | 72.5 Ų | 72.5 | 60% | 0.601 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 128.9 | 172.7 | -82.8 | -131.4 | -97.4 | 0 | 0 | 110.3 | V911 Q917 | V911-M919 PolarHBondContact N-O 3.26Å; V911-M919 PolarHBondContact O-N 3.5Å; Q917-M919 PolarHBondContact O-N 2.76Å |
| 920 | K | 62.7 | Low | 68 | Low | 189 Ų | 189 | 71.7 Ų | 71.7 | 82% | 0.822 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 117.8 | 165.3 | -80.1 | -178.7 | 177.7 | 178.2 | 0 | 108.2 | V910 | V910-K920 HydrophobicContact CG2-CG 4.28Å |
| 921 | T | 67 | Low | 68.6 | Low | 60 Ų | 60 | 69.4 Ų | 69.4 | 37% | 0.368 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 157.6 | 176.5 | 167.7 | 0 | 0 | 0 | 0 | 109.5 | C909 V911 | C909-T921 PolarHBondContact N-O 3.47Å; C909-T921 PolarHBondContact O-N 3.03Å; V911-T921 HydrophobicContact CB-CG2 3.86Å; V911-T921 HydrophobicContact CG2-CG2 3.31Å |
| 922 | T | 69.8 | Low | 69.3 | Low | 93 Ų | 93 | 71.2 Ų | 71.2 | 57% | 0.571 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 117.9 | 177.4 | 44.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 923 | L | 73.2 | Confident | 69.8 | Low | 35 Ų | 35 | 68.7 Ų | 68.7 | 18% | 0.183 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 130.4 | 170.9 | -79 | 167.1 | 0 | 0 | 0 | 109.7 | V907 C909 V925 I967 | V907-L923 PolarHBondContact N-O 3.08Å; V907-L923 PolarHBondContact O-N 3.43Å; C909-L923 HydrophobicContact CB-CD1 3.85Å; C909-L923 HydrophobicContact CB-CG 4.45Å; C909-L923 WeakPolarHBondContact SG-CD1 3.47Å; L923-V925 HydrophobicContact CB-CG2 4.37Å; L923-I967 HydrophobicContact CD1-CD1 4.43Å |
| 924 | I | 77.4 | Confident | 70.6 | Confident | 107 Ų | 107 | 70.8 Ų | 70.8 | 55% | 0.549 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 117.5 | 171.7 | -58.7 | 175.8 | 0 | 0 | 0 | 107.9 | P904 | P904-I924 HydrophobicContact CB-CG2 3.43Å; P904-I924 VanDerWaalsContact CB-CG2 3.43Å |
| 925 | V | 78.6 | Confident | 70.9 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.024 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131 | -178.4 | -168.8 | 0 | 0 | 0 | 0 | 109.9 | L905 V907 L923 I927 L986 W989 | L905-V925 PolarHBondContact N-O 2.89Å; L905-V925 PolarHBondContact O-N 3.21Å; V907-V925 HydrophobicContact CB-CG2 4.24Å; V907-V925 HydrophobicContact CG2-CB 4.3Å; V907-V925 HydrophobicContact CG2-CG2 3.95Å; L923-V925 HydrophobicContact CB-CG2 4.37Å; V925-I927 PolarHBondContact O-N 3.1Å; V925-L986 HydrophobicContact CB-CD2 4.36Å; V925-L986 HydrophobicContact CG1-CB 4.38Å; V925-L986 HydrophobicContact CG1-CD2 3.55Å; V925-W989 HydrophobicContact CG1-CB 4.05Å; V925-W989 HydrophobicContact CG1-CD2 4.43Å; V925-W989 HydrophobicContact CG1-CG 3.84Å; V925-W989 HydrophobicContact CG2-CG 4.47Å |
| 926 | P | 82.7 | Confident | 71 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 13% | 0.13 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 130.3 | 174.2 | 22.9 | -29.1 | 0 | 0 | 0 | 112 | A946 L1055 | P926-A946 HydrophobicContact CB-CB 3.82Å; P926-A946 HydrophobicContact CG-CB 3.99Å; P926-A946 VanDerWaalsContact O-CB 3.26Å; P926-A946 WeakPolarHBondContact O-CB 3.17Å; P926-L1055 HydrophobicContact CB-CB 4.14Å; P926-L1055 HydrophobicContact CB-CD1 4.19Å; P926-L1055 HydrophobicContact CB-CD2 4.05Å; P926-L1055 HydrophobicContact CB-CG 4.33Å |
| 927 | I | 86.7 | Confident | 71.5 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 145.9 | 171.7 | 57.9 | 161.7 | 0 | 0 | 0 | 110.7 | L891 C902 K903 L905 V925 I943 L986 | L891-I927 HydrophobicContact CD2-CD1 3.66Å; L891-I927 HydrophobicContact CD2-CG1 4.32Å; C902-I927 CarbonylContact C-O 3.56Å; C902-I927 WeakPolarHBondContact CA-O 3.1Å; K903-I927 HydrophobicContact CB-CG1 4.43Å; K903-I927 PolarHBondContact N-O 3Å; K903-I927 WeakPolarHBondContact O-CG1 3.38Å; K903-I927 PolarHBondContact O-N 3.03Å; L905-I927 HydrophobicContact CB-CD1 4.03Å; L905-I927 HydrophobicContact CB-CG1 4.07Å; L905-I927 HydrophobicContact CB-CG2 4Å; L905-I927 HydrophobicContact CD2-CD1 4.34Å; L905-I927 HydrophobicContact CD2-CG2 4.12Å; V925-I927 PolarHBondContact O-N 3.1Å; I927-I943 HydrophobicContact CD1-CG2 3.86Å; I927-L986 HydrophobicContact CG2-CD1 3.72Å; I927-L986 HydrophobicContact CG2-CD2 3.64Å; I927-L986 HydrophobicContact CG2-CG 4.34Å |
| 928 | K | 86.4 | Confident | 72.8 | Confident | 39 Ų | 39 | 60.5 Ų | 60.5 | 17% | 0.17 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 120.6 | 172.7 | 177.9 | 178.9 | -172.2 | 158.2 | 0 | 109.9 | Y901 I943 S944 F1044 E1057 | Y901-K928 WeakPolarHBondContact O-CA 3.4Å; K928-I943 WeakPolarHBondContact O-CA 3.48Å; K928-S944 PolarHBondContact N-O 3.06Å; K928-S944 PolarHBondContact O-N 2.84Å; K928-S944 PolarHBondContact O-OG 3.42Å; K928-F1044 HydrophobicContact CD-CZ 4.37Å; K928-E1057 VanDerWaalsContact NZ-CD 3.34Å; K928-E1057 IonicContact NZ-OE1 2.66Å; K928-E1057 PolarHBondContact NZ-OE1 2.7Å; K928-E1057 IonicContact NZ-OE2 3.72Å; K928-E1057 PolarHBondContact NZ-OE2 3.38Å |
| 929 | C | 86.3 | Confident | 73.8 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 118.2 | 173.7 | -61.1 | 0 | 0 | 0 | 0 | 108.6 | V893 S900 Y901 | V893-C929 HydrophobicContact CG1-CB 4.47Å; S900-C929 WeakPolarHBondContact CA-O 3.34Å; Y901-C929 HydrophobicContact CD2-CB 4.11Å; Y901-C929 HydrophobicContact CE2-CB 3.8Å; Y901-C929 PolarHBondContact N-O 2.88Å; Y901-C929 PolarHBondContact O-N 3.3Å |
| 930 | A | 84.9 | Confident | 75.1 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 5% | 0.05 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | G899 S900 F932 V941 V942 | G899-A930 CarbonylContact O-C 3.51Å; G899-A930 WeakPolarHBondContact O-CA 3.41Å; S900-A930 VanDerWaalsContact OG-CB 3.31Å; S900-A930 WeakPolarHBondContact OG-CB 3.43Å; A930-F932 HydrophobicContact CB-CE1 4.16Å; A930-F932 HydrophobicContact CB-CE2 3.72Å; A930-F932 HydrophobicContact CB-CZ 3.35Å; A930-F932 WeakPolarHBondContact O-CE2 3.12Å; A930-V941 CarbonylContact O-C 3.58Å; A930-V941 WeakPolarHBondContact O-CA 3.38Å; A930-V942 PolarHBondContact N-O 3.34Å; A930-V942 PolarHBondContact O-N 2.69Å |
| 931 | V | 84.3 | Confident | 76.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.1 | -176.2 | -177.5 | 0 | 0 | 0 | 0 | 109 | V893 T895 R897 V898 G899 Y901 V941 | V893-V931 HydrophobicContact CG1-CG2 4.36Å; T895-V931 VanDerWaalsContact O-CG1 3.26Å; T895-V931 WeakPolarHBondContact O-CG1 3.23Å; R897-V931 WeakPolarHBondContact O-CB 3.31Å; V898-V931 WeakPolarHBondContact CA-O 3.42Å; V898-V931 WeakPolarHBondContact CG1-O 3.44Å; G899-V931 PolarHBondContact N-O 3.49Å; G899-V931 PolarHBondContact O-N 3.17Å; Y901-V931 HydrophobicContact CE1-CG2 4.25Å; V931-V941 HydrophobicContact CG1-CG2 4.31Å; V931-V941 HydrophobicContact CG2-CG1 4.27Å; V931-V941 HydrophobicContact CG2-CG2 4.2Å |
| 932 | F | 79.6 | Confident | 77.4 | Confident | 85 Ų | 85 | 42.7 Ų | 42.7 | 37% | 0.373 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 154.5 | -179.3 | -37.8 | -82.5 | 0 | 0 | 0 | 109.8 | A930 S940 V942 | A930-F932 HydrophobicContact CB-CE1 4.16Å; A930-F932 HydrophobicContact CB-CE2 3.72Å; A930-F932 HydrophobicContact CB-CZ 3.35Å; A930-F932 WeakPolarHBondContact O-CE2 3.12Å; F932-S940 WeakPolarHBondContact CD2-O 3.41Å; F932-S940 PolarHBondContact N-O 3.03Å; F932-S940 PolarHBondContact O-N 2.87Å; F932-V942 HydrophobicContact CD2-CG2 4.46Å; F932-V942 HydrophobicContact CE2-CB 4.21Å; F932-V942 HydrophobicContact CE2-CG2 3.82Å |
| 933 | V | 72.3 | Confident | 78.3 | Confident | 76 Ų | 76 | 38.3 Ų | 38.3 | 46% | 0.461 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.5 | 172.8 | -179.3 | 0 | 0 | 0 | 0 | 108 | V898 G935 | V898-V933 HydrophobicContact CG2-CG2 3.49Å; V898-V933 VanDerWaalsContact CG2-CG2 3.49Å; V933-G935 VanDerWaalsContact CG1-O 3.26Å; V933-G935 WeakPolarHBondContact CG1-O 3.24Å |
| 934 | E | 67.5 | Low | 79 | Confident | 101 Ų | 101 | 37.3 Ų | 37.3 | 47% | 0.472 | 23% | 0.228 | S | C | . | . | trans | -114.6 | 71.3 | 177.6 | -76.5 | 179.9 | -154.7 | 0 | 0 | 110.2 | R828 L938 S940 | R828-E934 IonicContact CZ-OE2 2.68Å; R828-E934 IonicContact NH1-OE1 3.59Å; R828-E934 IonicContact NH1-OE2 2.72Å; R828-E934 PolarHBondContact NH1-OE2 3.17Å; E934-L938 CarbonylContact C-O 3.56Å; E934-L938 HydrophobicContact CB-CD2 3.91Å; E934-L938 HydrophobicContact CB-CG 4.44Å; E934-L938 PolarHBondContact N-O 3.11Å; E934-L938 WeakPolarHBondContact O-CB 3.4Å; E934-S940 PolarHBondContact OE1-OG 3.05Å; E934-S940 PolarHBondContact OE2-OG 2.86Å | ||
| 935 | G | 59.5 | Low | 79.4 | Confident | 50 Ų | 50 | 32.3 Ų | 32.3 | 52% | 0.515 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 92.5 | 177.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | V933 S937 | V933-G935 VanDerWaalsContact CG1-O 3.26Å; V933-G935 WeakPolarHBondContact CG1-O 3.24Å; G935-S937 VanDerWaalsContact C-N 3.3Å; G935-S937 PolarHBondContact O-N 3.41Å |
| 936 | A | 56.1 | Low | 79.6 | Confident | 113 Ų | 113 | 32.3 Ų | 32.3 | 93% | 0.934 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -25.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 937 | S | 64.1 | Low | 79.9 | Confident | 63 Ų | 63 | 32 Ų | 32 | 44% | 0.441 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 6.8 | -173.2 | 59.6 | 0 | 0 | 0 | 0 | 113.8 | A824 A825 C826 G935 | A824-S937 WeakPolarHBondContact O-CB 3.44Å; A825-S937 CarbonylContact C-O 3.51Å; A825-S937 WeakPolarHBondContact CA-O 3.37Å; C826-S937 PolarHBondContact N-O 3.3Å; G935-S937 VanDerWaalsContact C-N 3.3Å; G935-S937 PolarHBondContact O-N 3.41Å |
| 938 | L | 75.2 | Confident | 80 | Confident | 27 Ų | 27 | 33.7 Ų | 33.7 | 14% | 0.141 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 116.8 | -173.4 | -177.1 | 77.8 | 0 | 0 | 0 | 113.2 | C826 R828 L863 E934 | C826-L938 HydrophobicContact CB-CD1 3.95Å; C826-L938 VanDerWaalsContact O-CA 3.3Å; C826-L938 WeakPolarHBondContact O-CA 3.42Å; R828-L938 HydrophobicContact CB-CD1 4.45Å; L863-L938 HydrophobicContact CD1-CD1 3.9Å; E934-L938 CarbonylContact C-O 3.56Å; E934-L938 HydrophobicContact CB-CD2 3.91Å; E934-L938 HydrophobicContact CB-CG 4.44Å; E934-L938 PolarHBondContact N-O 3.11Å; E934-L938 WeakPolarHBondContact O-CB 3.4Å |
| 939 | H | 77.3 | Confident | 80.2 | Confident | 36 Ų | 36 | 31.8 Ų | 31.8 | 17% | 0.167 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 136.6 | 170.2 | -67 | 116.1 | 0 | 0 | 0 | 111.2 | C826 C827 R828 Y866 | C826-H939 PolarHBondContact O-N 2.97Å; C827-H939 CarbonylContact C-O 3.6Å; C827-H939 WeakPolarHBondContact CA-O 3.3Å; C827-H939 HydrophobicContact CB-CB 4.17Å; C827-H939 PolarHBondContact SG-O 2.86Å; C827-H939 VanDerWaalsContact SG-O 3.38Å; R828-H939 PolarHBondContact N-O 3.33Å; Y866-H939 PolarHBondContact OH-CE1 2.69Å; Y866-H939 PolarHBondContact OH-ND1 3.26Å |
| 940 | S | 85.4 | Confident | 80.3 | Confident | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124 | 176.1 | -78.8 | 0 | 0 | 0 | 0 | 110.7 | R828 F932 E934 | R828-S940 PolarHBondContact NH1-OG 3.45Å; R828-S940 CarbonylContact O-C 3.51Å; R828-S940 WeakPolarHBondContact O-CA 3.38Å; F932-S940 WeakPolarHBondContact CD2-O 3.41Å; F932-S940 PolarHBondContact N-O 3.03Å; F932-S940 PolarHBondContact O-N 2.87Å; E934-S940 PolarHBondContact OE1-OG 3.05Å; E934-S940 PolarHBondContact OE2-OG 2.86Å |
| 941 | V | 87.8 | Confident | 80.5 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.7 | 178 | -175.4 | 0 | 0 | 0 | 0 | 110 | R828 I829 K830 L880 A930 V931 I943 | R828-V941 PolarHBondContact O-N 3.47Å; I829-V941 CarbonylContact C-O 3.49Å; I829-V941 WeakPolarHBondContact CA-O 3.48Å; K830-V941 PolarHBondContact N-O 3.1Å; L880-V941 HydrophobicContact CD2-CB 4.19Å; L880-V941 HydrophobicContact CD2-CG1 3.89Å; L880-V941 HydrophobicContact CD2-CG2 4.26Å; A930-V941 CarbonylContact O-C 3.58Å; A930-V941 WeakPolarHBondContact O-CA 3.38Å; V931-V941 HydrophobicContact CG1-CG2 4.31Å; V931-V941 HydrophobicContact CG2-CG1 4.27Å; V931-V941 HydrophobicContact CG2-CG2 4.2Å; V941-I943 HydrophobicContact CG1-CG1 4.2Å |
| 942 | V | 90.1 | Very high | 80.5 | Confident | 34 Ų | 34 | 35 Ų | 35 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.7 | 176.2 | -176.8 | 0 | 0 | 0 | 0 | 109 | K830 K832 A930 F932 | K830-V942 HydrophobicContact CB-CG1 4.48Å; K830-V942 HydrophobicContact CB-CG2 4.19Å; K832-V942 HydrophobicContact CD-CG1 4.15Å; K832-V942 HydrophobicContact CG-CG1 4.35Å; A930-V942 PolarHBondContact N-O 3.34Å; A930-V942 PolarHBondContact O-N 2.69Å; F932-V942 HydrophobicContact CD2-CG2 4.46Å; F932-V942 HydrophobicContact CE2-CB 4.21Å; F932-V942 HydrophobicContact CE2-CG2 3.82Å |
| 943 | I | 89.1 | Confident | 80.7 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124 | -179.3 | -50.3 | 170.5 | 0 | 0 | 0 | 107.7 | I829 K830 K832 C833 L837 L882 I927 K928 V941 | I829-I943 HydrophobicContact CG2-CD1 4.12Å; K830-I943 PolarHBondContact O-N 2.81Å; K832-I943 WeakPolarHBondContact CA-O 3.44Å; K832-I943 WeakPolarHBondContact CB-O 2.94Å; K832-I943 PolarHBondContact N-O 3.38Å; C833-I943 VanDerWaalsContact SG-CG2 3.58Å; L837-I943 HydrophobicContact CD1-CB 4.46Å; L837-I943 HydrophobicContact CD1-CD1 4.18Å; L837-I943 HydrophobicContact CD1-CG2 4.14Å; L882-I943 HydrophobicContact CD1-CD1 3.57Å; L882-I943 HydrophobicContact CD1-CG1 4.47Å; L882-I943 HydrophobicContact CD2-CD1 3.31Å; L882-I943 HydrophobicContact CG-CD1 4.09Å; I927-I943 HydrophobicContact CD1-CG2 3.86Å; K928-I943 WeakPolarHBondContact O-CA 3.48Å; V941-I943 HydrophobicContact CG1-CG1 4.2Å |
| 944 | S | 87.6 | Confident | 80.7 | Confident | 13 Ų | 13 | 30 Ų | 30 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 156.4 | -172.8 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | K928 | K928-S944 PolarHBondContact N-O 3.06Å; K928-S944 PolarHBondContact O-N 2.84Å; K928-S944 PolarHBondContact O-OG 3.42Å |
| 945 | P | 86.6 | Confident | 81.3 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 148.7 | 175 | -15 | 28.1 | 0 | 0 | 0 | 112.4 | K832 V984 L986 | K832-P945 VanDerWaalsContact O-CD 3.26Å; K832-P945 WeakPolarHBondContact O-CD 3.29Å; P945-V984 WeakPolarHBondContact CB-O 3.28Å; P945-V984 WeakPolarHBondContact CG-O 3.38Å; P945-L986 HydrophobicContact CB-CD2 4.11Å |
| 946 | A | 82.4 | Confident | 82.4 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -82.3 | -7.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P926 E1057 H1058 | P926-A946 HydrophobicContact CB-CB 3.82Å; P926-A946 HydrophobicContact CG-CB 3.99Å; P926-A946 VanDerWaalsContact O-CB 3.26Å; P926-A946 WeakPolarHBondContact O-CB 3.17Å; A946-E1057 CarbonylContact O-C 3.49Å; A946-E1057 WeakPolarHBondContact O-CA 3.16Å; A946-E1057 WeakPolarHBondContact O-CG 3.3Å; A946-H1058 PolarHBondContact O-N 3.15Å |
| 947 | L | 88.6 | Confident | 83.8 | Confident | 13 Ų | 13 | 22.8 Ų | 22.8 | 7% | 0.068 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 123.1 | 176.1 | -176.9 | 64.8 | 0 | 0 | 0 | 110.2 | V984 W1009 H1058 I1060 | L947-V984 HydrophobicContact CB-CB 4.27Å; L947-V984 HydrophobicContact CB-CG2 4.48Å; L947-V984 HydrophobicContact CD2-CB 4.06Å; L947-V984 HydrophobicContact CD2-CG1 4.18Å; L947-V984 HydrophobicContact CD2-CG2 4.01Å; L947-V984 HydrophobicContact CG-CB 4.18Å; L947-V984 HydrophobicContact CG-CG2 3.94Å; L947-V984 PolarHBondContact O-N 3.1Å; L947-W1009 HydrophobicContact CD1-CH2 3.98Å; L947-W1009 HydrophobicContact CD1-CZ2 4.28Å; L947-W1009 HydrophobicContact CD1-CZ3 4.13Å; L947-W1009 HydrophobicContact CD2-CH2 4.44Å; L947-W1009 HydrophobicContact CD2-CZ2 4.05Å; L947-H1058 WeakPolarHBondContact CA-O 3.3Å; L947-H1058 HydrophobicContact CD1-CB 3.76Å; L947-I1060 HydrophobicContact CD1-CD1 4.12Å; L947-I1060 HydrophobicContact CD1-CG1 4.35Å |
| 948 | Q | 88.9 | Confident | 84.8 | Confident | 36 Ų | 36 | 21 Ų | 21 | 17% | 0.168 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 143.3 | 179.3 | -66 | -177.9 | 16.5 | 0 | 0 | 111.6 | T981 Y982 E1057 H1058 T1059 I1060 | Q948-T981 HydrophobicContact CB-CG2 3.94Å; Q948-T981 HydrophobicContact CG-CG2 4.39Å; Q948-Y982 WeakPolarHBondContact CA-O 3.33Å; Q948-E1057 PolarHBondContact NE2-OE1 2.84Å; Q948-H1058 PolarHBondContact N-O 3.3Å; Q948-T1059 HydrophobicContact CB-CG2 4.35Å; Q948-T1059 WeakPolarHBondContact O-CA 3.02Å; Q948-I1060 PolarHBondContact O-N 2.8Å |
| 949 | L | 90.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.3 | 171.8 | -59.5 | 179.7 | 0 | 0 | 0 | 108.9 | V959 F961 V976 T981 Y982 V984 I993 I1060 F1062 | L949-V959 HydrophobicContact CD1-CB 4.14Å; L949-V959 HydrophobicContact CD1-CG1 3.91Å; L949-V959 HydrophobicContact CD1-CG2 4.02Å; L949-F961 HydrophobicContact CD1-CE2 4.27Å; L949-F961 HydrophobicContact CD1-CZ 3.62Å; L949-V976 HydrophobicContact CB-CG2 4.37Å; L949-V976 HydrophobicContact CD1-CG2 4.03Å; L949-T981 CarbonylContact O-C 3.46Å; L949-T981 VanDerWaalsContact O-CA 3.22Å; L949-T981 WeakPolarHBondContact O-CA 3.45Å; L949-Y982 HydrophobicContact CD1-CD1 4.48Å; L949-Y982 PolarHBondContact N-O 3.33Å; L949-Y982 PolarHBondContact O-N 2.97Å; L949-V984 HydrophobicContact CD1-CG2 4.11Å; L949-V984 HydrophobicContact CD2-CG2 4.45Å; L949-V984 HydrophobicContact CG-CG2 3.8Å; L949-I993 HydrophobicContact CD2-CD1 4.21Å; L949-I1060 HydrophobicContact CD2-CB 3.87Å; L949-I1060 HydrophobicContact CD2-CD1 3.78Å; L949-I1060 HydrophobicContact CD2-CG1 4.22Å; L949-I1060 HydrophobicContact CD2-CG2 4.47Å; L949-F1062 HydrophobicContact CB-CE2 4.45Å; L949-F1062 HydrophobicContact CD2-CE2 4.3Å; L949-F1062 HydrophobicContact CD2-CZ 4.45Å |
| 950 | H | 89.2 | Confident | 85.8 | Confident | 47 Ų | 47 | 20.1 Ų | 20.1 | 22% | 0.218 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 119 | 176.5 | -170.3 | 61.3 | 0 | 0 | 0 | 110.7 | C952 T981 T1059 I1060 T1061 F1062 | H950-C952 PolarHBondContact CD2-SG 2.92Å; H950-C952 PolarHBondContact NE2-SG 3.37Å; H950-C952 VanDerWaalsContact NE2-SG 3.42Å; H950-T981 HydrophobicContact CB-CG2 4.49Å; H950-T981 PolarHBondContact ND1-OG1 2.87Å; H950-T1059 HydrophobicContact CB-CG2 4.09Å; H950-I1060 PolarHBondContact N-O 2.84Å; H950-T1061 HydrophobicContact CB-CG2 4.08Å; H950-T1061 WeakPolarHBondContact O-CA 3.44Å; H950-F1062 PolarHBondContact O-N 2.91Å |
| 951 | N | 89.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 98.5 | -177.4 | -179.9 | 14.6 | 0 | 0 | 0 | 111.1 | L953 F955 I957 V976 R977 Q979 A980 | N951-L953 VanDerWaalsContact C-N 3.29Å; N951-L953 WeakPolarHBondContact OD1-CB 3.36Å; N951-L953 PolarHBondContact OD1-N 2.98Å; N951-F955 PolarHBondContact ND2-O 2.7Å; N951-I957 HydrophobicContact CB-CD1 4.01Å; N951-I957 HydrophobicContact CB-CG1 4.34Å; N951-V976 HydrophobicContact CB-CB 4.48Å; N951-V976 HydrophobicContact CB-CG1 3.76Å; N951-V976 PolarHBondContact ND2-O 3.06Å; N951-R977 PolarHBondContact ND2-O 3.42Å; N951-Q979 WeakPolarHBondContact O-CA 3.4Å; N951-Q979 PolarHBondContact O-N 3.41Å; N951-A980 PolarHBondContact N-O 3.22Å; N951-A980 VanDerWaalsContact N-O 3.07Å |
| 952 | C | 83.2 | Confident | 85.6 | Confident | 25 Ų | 25 | 22.8 Ų | 22.8 | 17% | 0.169 | 13% | 0.126 | C | C | . | . | trans | -86.5 | 5.3 | 172.3 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | H950 Q979 F1062 L1063 | H950-C952 PolarHBondContact CD2-SG 2.92Å; H950-C952 PolarHBondContact NE2-SG 3.37Å; H950-C952 VanDerWaalsContact NE2-SG 3.42Å; C952-Q979 PolarHBondContact O-NE2 3.02Å; C952-Q979 VanDerWaalsContact O-NE2 3.12Å; C952-F1062 CarbonylContact C-O 3.56Å; C952-F1062 VanDerWaalsContact CA-O 3.27Å; C952-F1062 WeakPolarHBondContact CA-O 3.35Å; C952-F1062 WeakPolarHBondContact CB-O 3.35Å; C952-F1062 PolarHBondContact N-O 2.87Å; C952-L1063 HydrophobicContact CB-CD2 3.85Å; C952-L1063 HydrophobicContact CB-CG 4.38Å | ||
| 953 | L | 83.2 | Confident | 85 | Confident | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -77.5 | 152.9 | 176.9 | -57.7 | 167.8 | 0 | 0 | 0 | 110.5 | N951 F955 I957 Q978 V1035 F1062 L1100 | N951-L953 VanDerWaalsContact C-N 3.29Å; N951-L953 WeakPolarHBondContact OD1-CB 3.36Å; N951-L953 PolarHBondContact OD1-N 2.98Å; L953-F955 HydrophobicContact CB-CD2 4.28Å; L953-F955 HydrophobicContact CB-CE1 4.5Å; L953-F955 HydrophobicContact CB-CE2 3.95Å; L953-F955 HydrophobicContact CB-CZ 4.07Å; L953-F955 HydrophobicContact CD1-CE2 3.77Å; L953-F955 HydrophobicContact CD1-CZ 4.04Å; L953-F955 HydrophobicContact CD2-CZ 4.49Å; L953-F955 HydrophobicContact CG-CE2 4.42Å; L953-F955 HydrophobicContact CG-CZ 4.44Å; L953-F955 PolarHBondContact O-N 2.92Å; L953-F955 VanDerWaalsContact O-N 3.08Å; L953-I957 HydrophobicContact CD1-CG2 3.95Å; L953-Q978 WeakPolarHBondContact O-CB 3.29Å; L953-V1035 HydrophobicContact CD1-CG1 3.9Å; L953-V1035 HydrophobicContact CD1-CG2 4.01Å; L953-V1035 HydrophobicContact CD2-CG1 4.34Å; L953-V1035 HydrophobicContact CD2-CG2 4.5Å; L953-F1062 HydrophobicContact CD1-CB 3.94Å; L953-F1062 HydrophobicContact CG-CB 4.14Å; L953-L1100 HydrophobicContact CD2-CD2 4.28Å |
| 954 | P | 73.8 | Confident | 84.2 | Confident | 54 Ų | 54 | 24.4 Ų | 24.4 | 35% | 0.351 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -79.4 | 18.1 | -177.6 | 37.9 | -41.9 | 0 | 0 | 0 | 113.2 | Q978 P1098 L1100 | P954-Q978 PolarHBondContact O-OE1 3.26Å; P954-Q978 VanDerWaalsContact O-OE1 3.05Å; P954-P1098 HydrophobicContact CB-CG 4Å; P954-P1098 HydrophobicContact CG-CG 3.5Å; P954-P1098 VanDerWaalsContact CG-CG 3.5Å; P954-L1100 HydrophobicContact CG-CD1 3.88Å |
| 955 | F | 79 | Confident | 83.2 | Confident | 42 Ų | 42 | 32 Ų | 32 | 18% | 0.184 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -149.3 | 158.9 | -179.1 | 47.7 | -106.9 | 0 | 0 | 0 | 110.3 | N951 L953 I957 V997 I1033 L1100 | N951-F955 PolarHBondContact ND2-O 2.7Å; L953-F955 HydrophobicContact CB-CD2 4.28Å; L953-F955 HydrophobicContact CB-CE1 4.5Å; L953-F955 HydrophobicContact CB-CE2 3.95Å; L953-F955 HydrophobicContact CB-CZ 4.07Å; L953-F955 HydrophobicContact CD1-CE2 3.77Å; L953-F955 HydrophobicContact CD1-CZ 4.04Å; L953-F955 HydrophobicContact CD2-CZ 4.49Å; L953-F955 HydrophobicContact CG-CE2 4.42Å; L953-F955 HydrophobicContact CG-CZ 4.44Å; L953-F955 PolarHBondContact O-N 2.92Å; L953-F955 VanDerWaalsContact O-N 3.08Å; F955-I957 HydrophobicContact CD2-CG2 4.15Å; F955-I957 HydrophobicContact CE2-CG2 4.04Å; F955-V997 HydrophobicContact CD2-CG1 3.62Å; F955-V997 HydrophobicContact CE1-CG1 4.49Å; F955-V997 HydrophobicContact CE2-CB 4.29Å; F955-V997 HydrophobicContact CE2-CG1 3.29Å; F955-V997 HydrophobicContact CE2-CG2 4.08Å; F955-V997 HydrophobicContact CG-CG1 4.38Å; F955-V997 HydrophobicContact CZ-CG1 3.79Å; F955-I1033 HydrophobicContact CZ-CG2 4.33Å; F955-L1100 HydrophobicContact CD1-CD1 4.29Å; F955-L1100 HydrophobicContact CE1-CD1 3.59Å; F955-L1100 HydrophobicContact CE1-CD2 4Å; F955-L1100 HydrophobicContact CE1-CG 4.42Å; F955-L1100 HydrophobicContact CZ-CD2 4.25Å |
| 956 | N | 83 | Confident | 82.2 | Confident | 71 Ų | 71 | 33.6 Ų | 33.6 | 38% | 0.38 | 20% | 0.197 | S | C | . | . | trans | -71.2 | 139 | 176.7 | -59.6 | -12 | 0 | 0 | 0 | 110 | V976 R977 Q978 | N956-V976 WeakPolarHBondContact CA-O 3.42Å; N956-R977 VanDerWaalsContact OD1-CA 3.3Å; N956-R977 WeakPolarHBondContact OD1-CA 3.42Å; N956-Q978 PolarHBondContact OD1-N 3.43Å | ||
| 957 | I | 84.7 | Confident | 81.5 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 145.1 | 174.2 | 61.4 | 177.9 | 0 | 0 | 0 | 109 | N951 L953 F955 V959 S975 V976 I995 F1062 | N951-I957 HydrophobicContact CB-CD1 4.01Å; N951-I957 HydrophobicContact CB-CG1 4.34Å; L953-I957 HydrophobicContact CD1-CG2 3.95Å; F955-I957 HydrophobicContact CD2-CG2 4.15Å; F955-I957 HydrophobicContact CE2-CG2 4.04Å; I957-V959 HydrophobicContact CD1-CG2 4.01Å; I957-V959 HydrophobicContact CG1-CG2 4.07Å; I957-S975 CarbonylContact O-C 3.54Å; I957-S975 WeakPolarHBondContact O-CA 3.36Å; I957-V976 HydrophobicContact CD1-CB 4.27Å; I957-V976 HydrophobicContact CG1-CB 3.79Å; I957-V976 HydrophobicContact CG1-CG2 4.45Å; I957-V976 PolarHBondContact N-O 2.83Å; I957-V976 PolarHBondContact O-N 3.1Å; I957-I995 HydrophobicContact CB-CG2 3.98Å; I957-I995 HydrophobicContact CG2-CG2 4.24Å; I957-F1062 HydrophobicContact CD1-CD2 3.32Å; I957-F1062 HydrophobicContact CD1-CE2 3.62Å; I957-F1062 HydrophobicContact CD1-CG 3.98Å |
| 958 | T | 86 | Confident | 80.6 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 15% | 0.153 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.9 | 169.2 | -41.3 | 0 | 0 | 0 | 0 | 106.9 | V974 I995 A996 | T958-V974 CarbonylContact C-O 3.59Å; T958-V974 WeakPolarHBondContact CA-O 3.45Å; T958-I995 CarbonylContact O-C 3.43Å; T958-I995 WeakPolarHBondContact O-CA 3.48Å; T958-A996 PolarHBondContact N-O 3.44Å; T958-A996 PolarHBondContact O-N 3.15Å |
| 959 | V | 87.6 | Confident | 80 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.5 | -175.9 | -172.4 | 0 | 0 | 0 | 0 | 106.7 | L949 I957 F961 V974 V976 I993 I995 | L949-V959 HydrophobicContact CD1-CB 4.14Å; L949-V959 HydrophobicContact CD1-CG1 3.91Å; L949-V959 HydrophobicContact CD1-CG2 4.02Å; I957-V959 HydrophobicContact CD1-CG2 4.01Å; I957-V959 HydrophobicContact CG1-CG2 4.07Å; V959-F961 HydrophobicContact CB-CE2 4.22Å; V959-F961 HydrophobicContact CG1-CD2 4.41Å; V959-F961 HydrophobicContact CG1-CE1 4.45Å; V959-F961 HydrophobicContact CG1-CE2 3.91Å; V959-F961 HydrophobicContact CG1-CZ 3.96Å; V959-V974 PolarHBondContact N-O 2.88Å; V959-V974 PolarHBondContact O-N 3.47Å; V959-V976 HydrophobicContact CG2-CG2 3.98Å; V959-I993 HydrophobicContact CG1-CB 4.49Å; V959-I993 HydrophobicContact CG1-CG2 3.31Å; V959-I995 HydrophobicContact CG2-CG1 4.44Å |
| 960 | H | 86.2 | Confident | 79.4 | Confident | 44 Ų | 44 | 46.9 Ų | 46.9 | 20% | 0.204 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 119.2 | 178.3 | -60.7 | -81.2 | 0 | 0 | 0 | 108.2 | D973 I993 S994 A996 | H960-D973 IonicContact CE1-OD1 3.78Å; H960-D973 IonicContact CE1-OD2 3.58Å; H960-D973 PolarHBondContact CE1-OD2 2.95Å; H960-D973 IonicContact CG-OD1 3.21Å; H960-D973 IonicContact ND1-OD1 2.85Å; H960-D973 PolarHBondContact ND1-OD1 3.24Å; H960-D973 IonicContact ND1-OD2 2.7Å; H960-D973 PolarHBondContact ND1-OD2 2.87Å; H960-I993 WeakPolarHBondContact O-CA 3.35Å; H960-S994 WeakPolarHBondContact CB-OG 3.26Å; H960-S994 PolarHBondContact N-O 2.81Å; H960-S994 PolarHBondContact O-N 3.27Å; H960-A996 WeakPolarHBondContact NE2-CB 3.47Å |
| 961 | F | 86.2 | Confident | 79 | Confident | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 114.7 | 176.8 | -66.6 | -86.8 | 0 | 0 | 0 | 109.7 | L949 V959 M972 V974 V984 H988 T992 I993 | L949-F961 HydrophobicContact CD1-CE2 4.27Å; L949-F961 HydrophobicContact CD1-CZ 3.62Å; V959-F961 HydrophobicContact CB-CE2 4.22Å; V959-F961 HydrophobicContact CG1-CD2 4.41Å; V959-F961 HydrophobicContact CG1-CE1 4.45Å; V959-F961 HydrophobicContact CG1-CE2 3.91Å; V959-F961 HydrophobicContact CG1-CZ 3.96Å; F961-M972 HydrophobicContact CB-CB 4.35Å; F961-M972 WeakPolarHBondContact CB-O 3.32Å; F961-M972 PolarHBondContact N-O 2.99Å; F961-M972 PolarHBondContact O-N 3.29Å; F961-M972 VanDerWaalsContact O-N 3.08Å; F961-V974 HydrophobicContact CD2-CG2 4.23Å; F961-V974 HydrophobicContact CE2-CB 4.12Å; F961-V974 HydrophobicContact CE2-CG2 3.87Å; F961-V984 HydrophobicContact CD1-CG1 4.36Å; F961-V984 HydrophobicContact CE1-CG1 3.66Å; F961-V984 HydrophobicContact CE1-CG2 4.04Å; F961-V984 HydrophobicContact CE2-CG1 4.5Å; F961-V984 HydrophobicContact CZ-CB 4.34Å; F961-V984 HydrophobicContact CZ-CG1 3.71Å; F961-V984 HydrophobicContact CZ-CG2 3.67Å; F961-H988 HydrophobicContact CB-CB 4.5Å; F961-H988 HydrophobicContact CD1-CB 4.42Å; F961-H988 HydrophobicContact CG-CB 4.5Å; F961-T992 WeakPolarHBondContact CA-O 3.34Å; F961-I993 HydrophobicContact CD1-CD1 4.35Å; F961-I993 HydrophobicContact CD1-CG1 3.85Å; F961-I993 HydrophobicContact CE1-CD1 3.77Å; F961-I993 HydrophobicContact CE1-CG1 3.79Å |
| 962 | T | 83 | Confident | 78.8 | Confident | 62 Ų | 62 | 51.1 Ų | 51.1 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 118.5 | 174.4 | 33.7 | 0 | 0 | 0 | 0 | 109.5 | S991 T992 | T962-S991 CarbonylContact O-C 3.48Å; T962-S991 VanDerWaalsContact O-CA 3.25Å; T962-S991 WeakPolarHBondContact O-CA 3.5Å; T962-S991 VanDerWaalsContact O-CB 3.26Å; T962-S991 WeakPolarHBondContact O-CB 3.41Å; T962-T992 PolarHBondContact N-O 3.27Å; T962-T992 PolarHBondContact O-N 3.2Å; T962-T992 PolarHBondContact O-OG1 3Å; T962-T992 PolarHBondContact OG1-O 3.01Å; T962-T992 PolarHBondContact OG1-OG1 3.49Å |
| 963 | P | 76.9 | Confident | 78.8 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 20% | 0.195 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 152.5 | 179 | 17.3 | -22.1 | 0 | 0 | 0 | 111.5 | L969 | P963-L969 HydrophobicContact CB-CB 4.19Å; P963-L969 HydrophobicContact CB-CD2 4.48Å; P963-L969 HydrophobicContact CG-CB 4.32Å; P963-L969 VanDerWaalsContact CG-O 3.23Å; P963-L969 WeakPolarHBondContact CG-O 3.35Å |
| 964 | A | 71.4 | Confident | 78.9 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 149.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G966 I967 | A964-G966 PolarHBondContact O-N 3.43Å; A964-I967 HydrophobicContact CB-CD1 4.3Å; A964-I967 PolarHBondContact O-N 3.48Å |
| 965 | D | 67.9 | Low | 79.5 | Confident | 174 Ų | 174 | 56 Ų | 56 | 93% | 0.93 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 130.1 | -178.3 | -73.2 | -34.1 | 0 | 0 | 0 | 112.2 | ||
| 966 | G | 64.6 | Low | 79.9 | Confident | 34 Ų | 34 | 54.1 Ų | 54.1 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -14.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | V911 Q912 A964 | V911-G966 VanDerWaalsContact CA-O 3.31Å; V911-G966 WeakPolarHBondContact CA-O 3.32Å; Q912-G966 PolarHBondContact N-O 3.14Å; A964-G966 PolarHBondContact O-N 3.43Å |
| 967 | I | 68.3 | Low | 80.1 | Confident | 43 Ų | 43 | 59.4 Ų | 59.4 | 22% | 0.221 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -86.8 | 124.2 | 176.3 | -57.1 | 176.1 | 0 | 0 | 0 | 109.8 | L923 A964 L969 | L923-I967 HydrophobicContact CD1-CD1 4.43Å; A964-I967 HydrophobicContact CB-CD1 4.3Å; A964-I967 PolarHBondContact O-N 3.48Å; I967-L969 HydrophobicContact CG2-CB 4.12Å; I967-L969 PolarHBondContact O-N 3.35Å |
| 968 | L | 69.6 | Low | 80.1 | Confident | 107 Ų | 107 | 64.5 Ų | 64.5 | 56% | 0.56 | 35% | 0.353 | S | S | * | . | trans | -80.9 | 82.7 | 177.9 | -135.9 | 123.9 | 0 | 0 | 0 | 110.2 | V910 Q912 | V910-L968 HydrophobicContact CB-CB 4.44Å; V910-L968 PolarHBondContact O-N 2.9Å; V910-L968 VanDerWaalsContact O-N 3.08Å; Q912-L968 HydrophobicContact CG-CD1 3.73Å | ||
| 969 | L | 75.7 | Confident | 79.7 | Confident | 45 Ų | 45 | 69.3 Ų | 69.3 | 24% | 0.236 | 37% | 0.374 | C | S | . | . | trans | -140.1 | 140.1 | 178.7 | -170.2 | 71.5 | 0 | 0 | 0 | 109.6 | P963 I967 Q987 H988 | P963-L969 HydrophobicContact CB-CB 4.19Å; P963-L969 HydrophobicContact CB-CD2 4.48Å; P963-L969 HydrophobicContact CG-CB 4.32Å; P963-L969 VanDerWaalsContact CG-O 3.23Å; P963-L969 WeakPolarHBondContact CG-O 3.35Å; I967-L969 HydrophobicContact CG2-CB 4.12Å; I967-L969 PolarHBondContact O-N 3.35Å; L969-Q987 HydrophobicContact CD1-CB 4.16Å; L969-Q987 HydrophobicContact CD1-CG 4.23Å; L969-Q987 HydrophobicContact CD2-CB 4.01Å; L969-Q987 HydrophobicContact CD2-CG 4.09Å; L969-Q987 WeakPolarHBondContact CD2-O 3.4Å; L969-H988 WeakPolarHBondContact CD2-CE1 3.33Å | ||
| 970 | D | 79.4 | Confident | 79.6 | Confident | 139 Ų | 139 | 70.9 Ų | 70.9 | 74% | 0.743 | 39% | 0.387 | S | S | * | . | trans | -71.4 | 142.3 | 175.5 | -67.8 | -35.5 | 0 | 0 | 0 | 110.7 | H988 | D970-H988 PolarHBondContact O-CE1 3.08Š| ||
| 971 | P | 80.4 | Confident | 79.6 | Confident | 91 Ų | 91 | 72.2 Ų | 72.2 | 59% | 0.591 | 40% | 0.399 | S | S | * | . | trans | -57.3 | 148.5 | 170.9 | -20.3 | 31.1 | 0 | 0 | 0 | 111.9 | ||||
| 972 | M | 84.3 | Confident | 79.6 | Confident | 45 Ų | 45 | 75.4 Ų | 75.4 | 22% | 0.222 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.7 | -177.3 | -177.6 | -168 | -173 | 0 | 0 | 112 | F961 V974 Y982 P985 H988 | F961-M972 HydrophobicContact CB-CB 4.35Å; F961-M972 WeakPolarHBondContact CB-O 3.32Å; F961-M972 PolarHBondContact N-O 2.99Å; F961-M972 PolarHBondContact O-N 3.29Å; F961-M972 VanDerWaalsContact O-N 3.08Å; M972-V974 HydrophobicContact CE-CG2 3.35Å; M972-V974 HydrophobicContact CG-CG2 4.08Å; M972-V974 HydrophobicContact SD-CG2 3.88Å; M972-Y982 WeakPolarHBondContact CE-OH 3.01Å; M972-P985 HydrophobicContact CE-CG 3.83Å; M972-P985 HydrophobicContact SD-CG 3.95Å; M972-H988 VanDerWaalsContact CB-CE1 3.45Å; M972-H988 WeakPolarHBondContact CB-CE1 3.49Å; M972-H988 WeakPolarHBondContact CB-NE2 3.47Å; M972-H988 PolarHBondContact SD-CD2 3.34Å |
| 973 | D | 84 | Confident | 79.7 | Confident | 101 Ų | 101 | 74.4 Ų | 74.4 | 54% | 0.54 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.3 | 175 | -68.7 | -6.2 | 0 | 0 | 0 | 110.4 | H960 | H960-D973 IonicContact CE1-OD1 3.78Å; H960-D973 IonicContact CE1-OD2 3.58Å; H960-D973 PolarHBondContact CE1-OD2 2.95Å; H960-D973 IonicContact CG-OD1 3.21Å; H960-D973 IonicContact ND1-OD1 2.85Å; H960-D973 PolarHBondContact ND1-OD1 3.24Å; H960-D973 IonicContact ND1-OD2 2.7Å; H960-D973 PolarHBondContact ND1-OD2 2.87Å |
| 974 | V | 85.7 | Confident | 80.2 | Confident | 9 Ų | 9 | 73 Ų | 73 | 6% | 0.055 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.4 | -179.9 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | T958 V959 F961 M972 V976 Y982 | T958-V974 CarbonylContact C-O 3.59Å; T958-V974 WeakPolarHBondContact CA-O 3.45Å; V959-V974 PolarHBondContact N-O 2.88Å; V959-V974 PolarHBondContact O-N 3.47Å; F961-V974 HydrophobicContact CD2-CG2 4.23Å; F961-V974 HydrophobicContact CE2-CB 4.12Å; F961-V974 HydrophobicContact CE2-CG2 3.87Å; M972-V974 HydrophobicContact CE-CG2 3.35Å; M972-V974 HydrophobicContact CG-CG2 4.08Å; M972-V974 HydrophobicContact SD-CG2 3.88Å; V974-V976 HydrophobicContact CG1-CG2 4.08Å; V974-Y982 HydrophobicContact CB-CE1 4.18Å; V974-Y982 HydrophobicContact CG1-CD1 3.7Å; V974-Y982 HydrophobicContact CG1-CD2 3.73Å; V974-Y982 HydrophobicContact CG1-CE1 3.52Å; V974-Y982 HydrophobicContact CG1-CE2 3.56Å; V974-Y982 HydrophobicContact CG1-CG 3.8Å; V974-Y982 VanDerWaalsContact CG1-CZ 3.45Å; V974-Y982 HydrophobicContact CG2-CE1 3.78Å |
| 975 | S | 86.2 | Confident | 80.8 | Confident | 73 Ų | 73 | 71.9 Ų | 71.9 | 51% | 0.51 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 112.3 | 167.3 | -167.2 | 0 | 0 | 0 | 0 | 111 | I957 | I957-S975 CarbonylContact O-C 3.54Å; I957-S975 WeakPolarHBondContact O-CA 3.36Å |
| 976 | V | 86.9 | Confident | 81.5 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 115.3 | 173.8 | -171.9 | 0 | 0 | 0 | 0 | 109 | L949 N951 N956 I957 V959 V974 Y982 | L949-V976 HydrophobicContact CB-CG2 4.37Å; L949-V976 HydrophobicContact CD1-CG2 4.03Å; N951-V976 HydrophobicContact CB-CB 4.48Å; N951-V976 HydrophobicContact CB-CG1 3.76Å; N951-V976 PolarHBondContact ND2-O 3.06Å; N956-V976 WeakPolarHBondContact CA-O 3.42Å; I957-V976 HydrophobicContact CD1-CB 4.27Å; I957-V976 HydrophobicContact CG1-CB 3.79Å; I957-V976 HydrophobicContact CG1-CG2 4.45Å; I957-V976 PolarHBondContact N-O 2.83Å; I957-V976 PolarHBondContact O-N 3.1Å; V959-V976 HydrophobicContact CG2-CG2 3.98Å; V974-V976 HydrophobicContact CG1-CG2 4.08Å; V976-Y982 HydrophobicContact CG2-CG 4.28Å |
| 977 | R | 87.7 | Confident | 82.2 | Confident | 183 Ų | 183 | 66.6 Ų | 66.6 | 69% | 0.691 | 35% | 0.348 | S | S | * | . | trans | -64.3 | 154.3 | 179.8 | -66.3 | -177 | -177.3 | 173.8 | 1.1 | 111.6 | N951 N956 A980 | N951-R977 PolarHBondContact ND2-O 3.42Å; N956-R977 VanDerWaalsContact OD1-CA 3.3Å; N956-R977 WeakPolarHBondContact OD1-CA 3.42Å; R977-A980 HydrophobicContact CB-CB 3.91Å; R977-A980 WeakPolarHBondContact O-CB 3.3Å; R977-A980 PolarHBondContact O-N 3.29Å | ||
| 978 | Q | 83.2 | Confident | 83 | Confident | 107 Ų | 107 | 64.8 Ų | 64.8 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 138.8 | 171.8 | 61.5 | 177.3 | -6.7 | 0 | 0 | 111.9 | L953 P954 N956 A980 | L953-Q978 WeakPolarHBondContact O-CB 3.29Å; P954-Q978 PolarHBondContact O-OE1 3.26Å; P954-Q978 VanDerWaalsContact O-OE1 3.05Å; N956-Q978 PolarHBondContact OD1-N 3.43Å; Q978-A980 PolarHBondContact O-N 3.12Å |
| 979 | Q | 78.6 | Confident | 83.4 | Confident | 126 Ų | 126 | 62.3 Ų | 62.3 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 18.3 | -178.1 | -58.7 | -68.9 | -43.8 | 0 | 0 | 114.4 | N951 C952 | N951-Q979 WeakPolarHBondContact O-CA 3.4Å; N951-Q979 PolarHBondContact O-N 3.41Å; C952-Q979 PolarHBondContact O-NE2 3.02Å; C952-Q979 VanDerWaalsContact O-NE2 3.12Å |
| 980 | A | 85.4 | Confident | 83.5 | Confident | 33 Ų | 33 | 65.8 Ų | 65.8 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | trans | -106.3 | 152 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N951 R977 Q978 | N951-A980 PolarHBondContact N-O 3.22Å; N951-A980 VanDerWaalsContact N-O 3.07Å; R977-A980 HydrophobicContact CB-CB 3.91Å; R977-A980 WeakPolarHBondContact O-CB 3.3Å; R977-A980 PolarHBondContact O-N 3.29Å; Q978-A980 PolarHBondContact O-N 3.12Å | ||
| 981 | T | 85.5 | Confident | 83.8 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 45% | 0.448 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.2 | 169.1 | -48 | 0 | 0 | 0 | 0 | 109.1 | Q948 L949 H950 | Q948-T981 HydrophobicContact CB-CG2 3.94Å; Q948-T981 HydrophobicContact CG-CG2 4.39Å; L949-T981 CarbonylContact O-C 3.46Å; L949-T981 VanDerWaalsContact O-CA 3.22Å; L949-T981 WeakPolarHBondContact O-CA 3.45Å; H950-T981 HydrophobicContact CB-CG2 4.49Å; H950-T981 PolarHBondContact ND1-OG1 2.87Å |
| 982 | Y | 86.9 | Confident | 83.9 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 26% | 0.263 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129.7 | 175.2 | -178.1 | -92.8 | 0 | 0 | 0 | 110.1 | Q948 L949 M972 V974 V976 V984 | Q948-Y982 WeakPolarHBondContact CA-O 3.33Å; L949-Y982 HydrophobicContact CD1-CD1 4.48Å; L949-Y982 PolarHBondContact N-O 3.33Å; L949-Y982 PolarHBondContact O-N 2.97Å; M972-Y982 WeakPolarHBondContact CE-OH 3.01Å; V974-Y982 HydrophobicContact CB-CE1 4.18Å; V974-Y982 HydrophobicContact CG1-CD1 3.7Å; V974-Y982 HydrophobicContact CG1-CD2 3.73Å; V974-Y982 HydrophobicContact CG1-CE1 3.52Å; V974-Y982 HydrophobicContact CG1-CE2 3.56Å; V974-Y982 HydrophobicContact CG1-CG 3.8Å; V974-Y982 VanDerWaalsContact CG1-CZ 3.45Å; V974-Y982 HydrophobicContact CG2-CE1 3.78Å; V976-Y982 HydrophobicContact CG2-CG 4.28Å; Y982-V984 HydrophobicContact CD1-CG2 4.44Å |
| 983 | S | 85 | Confident | 84 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 29% | 0.287 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 119.7 | 175.5 | -61.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 984 | V | 87.3 | Confident | 84.1 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 128.3 | -176.3 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | P945 L947 L949 F961 Y982 H988 | P945-V984 WeakPolarHBondContact CB-O 3.28Å; P945-V984 WeakPolarHBondContact CG-O 3.38Å; L947-V984 HydrophobicContact CB-CB 4.27Å; L947-V984 HydrophobicContact CB-CG2 4.48Å; L947-V984 HydrophobicContact CD2-CB 4.06Å; L947-V984 HydrophobicContact CD2-CG1 4.18Å; L947-V984 HydrophobicContact CD2-CG2 4.01Å; L947-V984 HydrophobicContact CG-CB 4.18Å; L947-V984 HydrophobicContact CG-CG2 3.94Å; L947-V984 PolarHBondContact O-N 3.1Å; L949-V984 HydrophobicContact CD1-CG2 4.11Å; L949-V984 HydrophobicContact CD2-CG2 4.45Å; L949-V984 HydrophobicContact CG-CG2 3.8Å; F961-V984 HydrophobicContact CD1-CG1 4.36Å; F961-V984 HydrophobicContact CE1-CG1 3.66Å; F961-V984 HydrophobicContact CE1-CG2 4.04Å; F961-V984 HydrophobicContact CE2-CG1 4.5Å; F961-V984 HydrophobicContact CZ-CB 4.34Å; F961-V984 HydrophobicContact CZ-CG1 3.71Å; F961-V984 HydrophobicContact CZ-CG2 3.67Å; Y982-V984 HydrophobicContact CD1-CG2 4.44Å; V984-H988 HydrophobicContact CG1-CB 3.95Å |
| 985 | P | 84.9 | Confident | 83.9 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 143.7 | 177.6 | -26.8 | 34.9 | 0 | 0 | 0 | 112.5 | M972 Q987 H988 | M972-P985 HydrophobicContact CE-CG 3.83Å; M972-P985 HydrophobicContact SD-CG 3.95Å; P985-Q987 HydrophobicContact CB-CG 4.31Å; P985-Q987 PolarHBondContact O-N 3.48Å; P985-H988 PolarHBondContact O-N 3.17Å |
| 986 | L | 83 | Confident | 83.5 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -56.5 | -31.8 | -172.5 | -71.3 | 174.7 | 0 | 0 | 0 | 114.3 | C833 I835 L905 V925 I927 P945 H988 W989 | C833-L986 HydrophobicContact CB-CD1 3.55Å; C833-L986 HydrophobicContact CB-CG 4.1Å; C833-L986 PolarHBondContact O-N 3.24Å; I835-L986 HydrophobicContact CD1-CB 4.5Å; I835-L986 HydrophobicContact CD1-CD1 3.92Å; I835-L986 HydrophobicContact CG1-CD1 4.13Å; L905-L986 HydrophobicContact CD2-CD1 4.12Å; V925-L986 HydrophobicContact CB-CD2 4.36Å; V925-L986 HydrophobicContact CG1-CB 4.38Å; V925-L986 HydrophobicContact CG1-CD2 3.55Å; I927-L986 HydrophobicContact CG2-CD1 3.72Å; I927-L986 HydrophobicContact CG2-CD2 3.64Å; I927-L986 HydrophobicContact CG2-CG 4.34Å; P945-L986 HydrophobicContact CB-CD2 4.11Å; L986-H988 VanDerWaalsContact C-N 3.26Å; L986-H988 PolarHBondContact O-N 2.87Å; L986-W989 PolarHBondContact O-N 3.06Å |
| 987 | Q | 79.1 | Confident | 82.6 | Confident | 95 Ų | 95 | 49.8 Ų | 49.8 | 44% | 0.444 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -65.3 | -25.5 | 178.5 | 64.9 | -169.2 | 13 | 0 | 0 | 113.7 | L969 P985 | L969-Q987 HydrophobicContact CD1-CB 4.16Å; L969-Q987 HydrophobicContact CD1-CG 4.23Å; L969-Q987 HydrophobicContact CD2-CB 4.01Å; L969-Q987 HydrophobicContact CD2-CG 4.09Å; L969-Q987 WeakPolarHBondContact CD2-O 3.4Å; P985-Q987 HydrophobicContact CB-CG 4.31Å; P985-Q987 PolarHBondContact O-N 3.48Å |
| 988 | H | 83.8 | Confident | 81.4 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -99.1 | 8.7 | -178.2 | -69 | -72.1 | 0 | 0 | 0 | 114.2 | F961 L969 D970 M972 V984 P985 L986 R990 S991 | F961-H988 HydrophobicContact CB-CB 4.5Å; F961-H988 HydrophobicContact CD1-CB 4.42Å; F961-H988 HydrophobicContact CG-CB 4.5Å; L969-H988 WeakPolarHBondContact CD2-CE1 3.33Å; D970-H988 PolarHBondContact O-CE1 3.08Å; M972-H988 VanDerWaalsContact CB-CE1 3.45Å; M972-H988 WeakPolarHBondContact CB-CE1 3.49Å; M972-H988 WeakPolarHBondContact CB-NE2 3.47Å; M972-H988 PolarHBondContact SD-CD2 3.34Å; V984-H988 HydrophobicContact CG1-CB 3.95Å; P985-H988 PolarHBondContact O-N 3.17Å; L986-H988 VanDerWaalsContact C-N 3.26Å; L986-H988 PolarHBondContact O-N 2.87Å; H988-R990 PolarHBondContact O-N 3.06Å; H988-S991 WeakPolarHBondContact CA-OG 3.5Å; H988-S991 PolarHBondContact ND1-OG 3.12Å; H988-S991 VanDerWaalsContact O-CB 3.28Å; H988-S991 WeakPolarHBondContact O-CB 3.48Å; H988-S991 PolarHBondContact O-N 2.66Å; H988-S991 PolarHBondContact O-OG 3.07Å |
| 989 | W | 78.2 | Confident | 79.9 | Confident | 55 Ų | 55 | 41.6 Ų | 41.6 | 21% | 0.208 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -30.5 | -172.2 | 85.8 | -90 | 0 | 0 | 0 | 114.5 | V925 L986 W1009 | V925-W989 HydrophobicContact CG1-CB 4.05Å; V925-W989 HydrophobicContact CG1-CD2 4.43Å; V925-W989 HydrophobicContact CG1-CG 3.84Å; V925-W989 HydrophobicContact CG2-CG 4.47Å; L986-W989 PolarHBondContact O-N 3.06Å; W989-W1009 WeakPolarHBondContact O-CZ2 3.32Å |
| 990 | R | 79.1 | Confident | 78.4 | Confident | 118 Ų | 118 | 42.1 Ų | 42.1 | 45% | 0.445 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 3.4 | 178.5 | -100.3 | 177.4 | -169.9 | 169.5 | 12 | 114.2 | H988 | H988-R990 PolarHBondContact O-N 3.06Š|
| 991 | S | 85.1 | Confident | 76.7 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.028 | 26% | 0.264 | C | S | . | . | trans | -68.6 | 144.2 | -177.6 | -61.9 | 0 | 0 | 0 | 0 | 111.1 | T962 H988 W1009 | T962-S991 CarbonylContact O-C 3.48Å; T962-S991 VanDerWaalsContact O-CA 3.25Å; T962-S991 WeakPolarHBondContact O-CA 3.5Å; T962-S991 VanDerWaalsContact O-CB 3.26Å; T962-S991 WeakPolarHBondContact O-CB 3.41Å; H988-S991 WeakPolarHBondContact CA-OG 3.5Å; H988-S991 PolarHBondContact ND1-OG 3.12Å; H988-S991 VanDerWaalsContact O-CB 3.28Å; H988-S991 WeakPolarHBondContact O-CB 3.48Å; H988-S991 PolarHBondContact O-N 2.66Å; H988-S991 PolarHBondContact O-OG 3.07Å; S991-W1009 PolarHBondContact O-NE1 3.28Å | ||
| 992 | T | 82.3 | Confident | 75.1 | Confident | 70 Ų | 70 | 46.3 Ų | 46.3 | 43% | 0.429 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 148.8 | 166.9 | 47 | 0 | 0 | 0 | 0 | 109.2 | F961 T962 | F961-T992 WeakPolarHBondContact CA-O 3.34Å; T962-T992 PolarHBondContact N-O 3.27Å; T962-T992 PolarHBondContact O-N 3.2Å; T962-T992 PolarHBondContact O-OG1 3Å; T962-T992 PolarHBondContact OG1-O 3.01Å; T962-T992 PolarHBondContact OG1-OG1 3.49Å |
| 993 | I | 87.1 | Confident | 73.8 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.7 | -171.9 | -64.5 | 178.7 | 0 | 0 | 0 | 109.7 | L949 V959 H960 F961 I995 I1007 W1009 I1060 | L949-I993 HydrophobicContact CD2-CD1 4.21Å; V959-I993 HydrophobicContact CG1-CB 4.49Å; V959-I993 HydrophobicContact CG1-CG2 3.31Å; H960-I993 WeakPolarHBondContact O-CA 3.35Å; F961-I993 HydrophobicContact CD1-CD1 4.35Å; F961-I993 HydrophobicContact CD1-CG1 3.85Å; F961-I993 HydrophobicContact CE1-CD1 3.77Å; F961-I993 HydrophobicContact CE1-CG1 3.79Å; I993-I995 HydrophobicContact CG2-CG1 4.32Å; I993-I1007 PolarHBondContact O-N 3.19Å; I993-I1007 VanDerWaalsContact O-O 3.06Å; I993-W1009 HydrophobicContact CD1-CG 4.05Å; I993-I1060 HydrophobicContact CD1-CD1 3.74Å |
| 994 | S | 84.6 | Confident | 73 | Confident | 25 Ų | 25 | 45.9 Ų | 45.9 | 18% | 0.175 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 145.6 | 161.9 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | H960 C1005 | H960-S994 WeakPolarHBondContact CB-OG 3.26Å; H960-S994 PolarHBondContact N-O 2.81Å; H960-S994 PolarHBondContact O-N 3.27Å; S994-C1005 VanDerWaalsContact CA-O 3.31Å; S994-C1005 WeakPolarHBondContact CA-O 3.4Å |
| 995 | I | 82.8 | Confident | 72.4 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132.4 | -175.5 | -59.7 | 179.1 | 0 | 0 | 0 | 110.8 | I957 T958 V959 I993 V997 C1005 I1007 F1062 | I957-I995 HydrophobicContact CB-CG2 3.98Å; I957-I995 HydrophobicContact CG2-CG2 4.24Å; T958-I995 CarbonylContact O-C 3.43Å; T958-I995 WeakPolarHBondContact O-CA 3.48Å; V959-I995 HydrophobicContact CG2-CG1 4.44Å; I993-I995 HydrophobicContact CG2-CG1 4.32Å; I995-V997 HydrophobicContact CG2-CG2 4.45Å; I995-C1005 PolarHBondContact N-O 2.8Å; I995-C1005 PolarHBondContact O-N 3.27Å; I995-C1005 VanDerWaalsContact O-N 3.09Å; I995-I1007 HydrophobicContact CB-CD1 4.44Å; I995-I1007 HydrophobicContact CD1-CD1 3.25Å; I995-I1007 HydrophobicContact CG1-CD1 3.75Å; I995-F1062 HydrophobicContact CD1-CD1 3.63Å; I995-F1062 HydrophobicContact CD1-CE1 3.09Å; I995-F1062 HydrophobicContact CD1-CE2 4.14Å; I995-F1062 HydrophobicContact CD1-CG 4.37Å; I995-F1062 HydrophobicContact CD1-CZ 3.37Å; I995-F1062 HydrophobicContact CG1-CE1 4.47Å; I995-F1062 HydrophobicContact CG1-CZ 4.48Å |
| 996 | A | 76.6 | Confident | 72.2 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 2% | 0.017 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T958 H960 Y1003 | T958-A996 PolarHBondContact N-O 3.44Å; T958-A996 PolarHBondContact O-N 3.15Å; H960-A996 WeakPolarHBondContact NE2-CB 3.47Å; A996-Y1003 VanDerWaalsContact CA-O 3.23Å; A996-Y1003 WeakPolarHBondContact CA-O 3.31Å; A996-Y1003 VanDerWaalsContact CB-O 3.25Å; A996-Y1003 WeakPolarHBondContact CB-O 3.49Å |
| 997 | V | 68.8 | Low | 72.1 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 129.2 | -178.5 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | F955 I995 I1033 | F955-V997 HydrophobicContact CD2-CG1 3.62Å; F955-V997 HydrophobicContact CE1-CG1 4.49Å; F955-V997 HydrophobicContact CE2-CB 4.29Å; F955-V997 HydrophobicContact CE2-CG1 3.29Å; F955-V997 HydrophobicContact CE2-CG2 4.08Å; F955-V997 HydrophobicContact CG-CG1 4.38Å; F955-V997 HydrophobicContact CZ-CG1 3.79Å; I995-V997 HydrophobicContact CG2-CG2 4.45Å; V997-I1033 HydrophobicContact CB-CD1 4.24Å; V997-I1033 HydrophobicContact CG1-CD1 3.71Å |
| 998 | G | 61.2 | Low | 72.4 | Confident | 54 Ų | 54 | 50.1 Ų | 50.1 | 56% | 0.557 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 88 | 21.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | K1000 | G998-K1000 PolarHBondContact O-N 3.33Š|
| 999 | G | 53.5 | Low | 72.5 | Confident | 65 Ų | 65 | 50.6 Ų | 50.6 | 67% | 0.67 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 66.8 | -5.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1000 | K | 46.4 | Very low | 72.7 | Confident | 137 Ų | 137 | 51.4 Ų | 51.4 | 60% | 0.596 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -102.7 | 129.7 | 170 | -64.9 | -178.1 | 178.2 | 179.1 | 0 | 106.6 | G998 Q1002 | G998-K1000 PolarHBondContact O-N 3.33Å; K1000-Q1002 HydrophobicContact CB-CB 4.46Å; K1000-Q1002 HydrophobicContact CB-CG 4.05Å; K1000-Q1002 PolarHBondContact O-N 3.41Å |
| 1001 | S | 50.1 | Low | 72.9 | Confident | 101 Ų | 101 | 51 Ų | 51 | 71% | 0.706 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 23.4 | 173.7 | 49.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1002 | Q | 52.1 | Low | 72.7 | Confident | 92 Ų | 92 | 51.6 Ų | 51.6 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -21.1 | -177.7 | -71.1 | -178 | -0.8 | 0 | 0 | 112.4 | K1000 P1026 M1027 | K1000-Q1002 HydrophobicContact CB-CB 4.46Å; K1000-Q1002 HydrophobicContact CB-CG 4.05Å; K1000-Q1002 PolarHBondContact O-N 3.41Å; Q1002-P1026 CarbonylContact O-C 3.37Å; Q1002-P1026 WeakPolarHBondContact O-CA 3.39Å; Q1002-M1027 PolarHBondContact O-N 2.84Å |
| 1003 | Y | 59.8 | Low | 72.5 | Confident | 36 Ų | 36 | 48.4 Ų | 48.4 | 14% | 0.141 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.2 | 177.9 | -69 | -89.1 | 0 | 0 | 0 | 109.5 | A996 C1024 P1026 K1031 | A996-Y1003 VanDerWaalsContact CA-O 3.23Å; A996-Y1003 WeakPolarHBondContact CA-O 3.31Å; A996-Y1003 VanDerWaalsContact CB-O 3.25Å; A996-Y1003 WeakPolarHBondContact CB-O 3.49Å; Y1003-C1024 HydrophobicContact CD1-CB 4.3Å; Y1003-C1024 WeakPolarHBondContact CD1-O 3.21Å; Y1003-P1026 HydrophobicContact CD1-CB 3.85Å; Y1003-P1026 HydrophobicContact CD1-CG 4.34Å; Y1003-P1026 HydrophobicContact CE1-CB 3.39Å; Y1003-P1026 HydrophobicContact CE1-CG 3.62Å; Y1003-P1026 HydrophobicContact CE2-CB 4.29Å; Y1003-P1026 HydrophobicContact CG-CB 4.48Å; Y1003-K1031 WeakPolarHBondContact CE1-O 3.26Å; Y1003-K1031 VanDerWaalsContact CZ-O 3.29Å; Y1003-K1031 PolarHBondContact OH-O 2.88Å |
| 1004 | S | 67.4 | Low | 72.2 | Confident | 64 Ų | 64 | 55 Ų | 55 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.4 | 171.8 | 166.4 | 0 | 0 | 0 | 0 | 108.3 | R1025 | S1004-R1025 PolarHBondContact N-O 3.06Å |
| 1005 | C | 74.5 | Confident | 71.8 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 98.9 | 172 | -168.4 | 0 | 0 | 0 | 0 | 108.6 | S994 I995 I1007 A1022 C1024 | S994-C1005 VanDerWaalsContact CA-O 3.31Å; S994-C1005 WeakPolarHBondContact CA-O 3.4Å; I995-C1005 PolarHBondContact N-O 2.8Å; I995-C1005 PolarHBondContact O-N 3.27Å; I995-C1005 VanDerWaalsContact O-N 3.09Å; C1005-I1007 PolarHBondContact O-N 3.17Å; C1005-A1022 VanDerWaalsContact SG-CB 3.59Å; C1005-C1024 HydrophobicContact CB-CB 4.24Å; C1005-C1024 WeakPolarHBondContact CB-SG 3.46Å |
| 1006 | P | 79.7 | Confident | 70.9 | Confident | 104 Ų | 104 | 63.4 Ų | 63.4 | 68% | 0.675 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 131.8 | 171.1 | 26.2 | -31.1 | 0 | 0 | 0 | 109.3 | ||
| 1007 | I | 82.4 | Confident | 70.4 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 6% | 0.056 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 111.3 | 180 | -66.6 | 167 | 0 | 0 | 0 | 107.7 | I993 I995 C1005 W1009 I1012 V1037 F1062 | I993-I1007 PolarHBondContact O-N 3.19Å; I993-I1007 VanDerWaalsContact O-O 3.06Å; I995-I1007 HydrophobicContact CB-CD1 4.44Å; I995-I1007 HydrophobicContact CD1-CD1 3.25Å; I995-I1007 HydrophobicContact CG1-CD1 3.75Å; C1005-I1007 PolarHBondContact O-N 3.17Å; I1007-W1009 VanDerWaalsContact C-N 3.28Å; I1007-W1009 HydrophobicContact CG2-CB 4.28Å; I1007-W1009 PolarHBondContact O-N 3.42Å; I1007-I1012 HydrophobicContact CG2-CD1 3.57Å; I1007-V1037 HydrophobicContact CD1-CG2 3.83Å; I1007-V1037 HydrophobicContact CG2-CG1 4.21Å; I1007-F1062 HydrophobicContact CD1-CE1 4.15Å |
| 1008 | D | 84.5 | Confident | 70.9 | Confident | 81 Ų | 81 | 68.1 Ų | 68.1 | 43% | 0.433 | 40% | 0.404 | S | S | . | . | trans | -82.2 | 79.7 | 169.9 | -164 | -17 | 0 | 0 | 0 | 109.8 | Q1010 L1011 I1012 | D1008-Q1010 PolarHBondContact O-N 3.41Å; D1008-Q1010 PolarHBondContact OD1-N 3.04Å; D1008-L1011 HydrophobicContact CB-CB 4.12Å; D1008-L1011 PolarHBondContact O-N 2.99Å; D1008-L1011 PolarHBondContact OD1-N 2.68Å; D1008-I1012 WeakPolarHBondContact O-CG1 3.44Å; D1008-I1012 PolarHBondContact O-N 3.01Å; D1008-I1012 VanDerWaalsContact O-N 3.11Å | ||
| 1009 | W | 85.3 | Confident | 71.7 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 5% | 0.049 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.9 | -25.4 | -175.5 | 73.5 | -90.6 | 0 | 0 | 0 | 113 | L947 W989 S991 I993 I1007 I1012 A1013 H1058 I1060 | L947-W1009 HydrophobicContact CD1-CH2 3.98Å; L947-W1009 HydrophobicContact CD1-CZ2 4.28Å; L947-W1009 HydrophobicContact CD1-CZ3 4.13Å; L947-W1009 HydrophobicContact CD2-CH2 4.44Å; L947-W1009 HydrophobicContact CD2-CZ2 4.05Å; W989-W1009 WeakPolarHBondContact O-CZ2 3.32Å; S991-W1009 PolarHBondContact O-NE1 3.28Å; I993-W1009 HydrophobicContact CD1-CG 4.05Å; I1007-W1009 VanDerWaalsContact C-N 3.28Å; I1007-W1009 HydrophobicContact CG2-CB 4.28Å; I1007-W1009 PolarHBondContact O-N 3.42Å; W1009-I1012 PolarHBondContact O-N 3.37Å; W1009-A1013 WeakPolarHBondContact O-CB 3.44Å; W1009-A1013 PolarHBondContact O-N 3.39Å; W1009-H1058 HydrophobicContact CZ3-CB 4.3Å; W1009-H1058 AromaticContact CZ3-CD2 3.96Å; W1009-I1060 HydrophobicContact CB-CD1 3.61Å; W1009-I1060 HydrophobicContact CB-CG1 4.42Å; W1009-I1060 HydrophobicContact CD2-CD1 3.66Å; W1009-I1060 HydrophobicContact CE3-CD1 3.95Å; W1009-I1060 HydrophobicContact CE3-CG1 4.43Å; W1009-I1060 HydrophobicContact CG-CD1 3.51Å |
| 1010 | Q | 82.6 | Confident | 73 | Confident | 72 Ų | 72 | 70.2 Ų | 70.2 | 34% | 0.336 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.4 | -44.4 | 178.1 | -66.4 | 179.5 | -0.6 | 0 | 0 | 109.6 | D1008 A1013 E1014 | D1008-Q1010 PolarHBondContact O-N 3.41Å; D1008-Q1010 PolarHBondContact OD1-N 3.04Å; Q1010-A1013 WeakPolarHBondContact O-CB 3.45Å; Q1010-A1013 PolarHBondContact O-N 3.26Å; Q1010-E1014 PolarHBondContact O-N 3.33Å |
| 1011 | L | 83.3 | Confident | 74.5 | Confident | 111 Ų | 111 | 68.8 Ų | 68.8 | 58% | 0.581 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.7 | -38.1 | 175.2 | -138 | 151.3 | 0 | 0 | 0 | 112 | D1008 A1013 E1014 A1015 | D1008-L1011 HydrophobicContact CB-CB 4.12Å; D1008-L1011 PolarHBondContact O-N 2.99Å; D1008-L1011 PolarHBondContact OD1-N 2.68Å; L1011-A1013 VanDerWaalsContact C-N 3.35Å; L1011-E1014 PolarHBondContact O-N 2.95Å; L1011-A1015 PolarHBondContact O-N 2.73Å |
| 1012 | I | 81.8 | Confident | 75.7 | Confident | 15 Ų | 15 | 64.5 Ų | 64.5 | 8% | 0.077 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 174.2 | -61.8 | 164.3 | 0 | 0 | 0 | 111.4 | I1007 D1008 W1009 E1014 A1015 S1018 C1020 V1037 V1039 | I1007-I1012 HydrophobicContact CG2-CD1 3.57Å; D1008-I1012 WeakPolarHBondContact O-CG1 3.44Å; D1008-I1012 PolarHBondContact O-N 3.01Å; D1008-I1012 VanDerWaalsContact O-N 3.11Å; W1009-I1012 PolarHBondContact O-N 3.37Å; I1012-E1014 PolarHBondContact O-N 2.8Å; I1012-A1015 PolarHBondContact O-N 2.77Å; I1012-S1018 CarbonylContact O-C 3.53Å; I1012-S1018 VanDerWaalsContact O-CA 3.23Å; I1012-S1018 WeakPolarHBondContact O-CA 3.28Å; I1012-S1018 WeakPolarHBondContact O-CB 3.47Å; I1012-C1020 HydrophobicContact CD1-CB 4.3Å; I1012-C1020 WeakPolarHBondContact CD1-SG 3.37Å; I1012-C1020 HydrophobicContact CG1-CB 4.26Å; I1012-V1037 HydrophobicContact CD1-CB 4.4Å; I1012-V1037 HydrophobicContact CD1-CG1 4.08Å; I1012-V1039 HydrophobicContact CB-CG2 4.12Å; I1012-V1039 HydrophobicContact CG2-CB 4.38Å; I1012-V1039 HydrophobicContact CG2-CG2 3.76Å |
| 1013 | A | 78.9 | Confident | 76.9 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 3% | 0.033 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.4 | -29.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | W1009 Q1010 L1011 V1039 R1041 | W1009-A1013 WeakPolarHBondContact O-CB 3.44Å; W1009-A1013 PolarHBondContact O-N 3.39Å; Q1010-A1013 WeakPolarHBondContact O-CB 3.45Å; Q1010-A1013 PolarHBondContact O-N 3.26Å; L1011-A1013 VanDerWaalsContact C-N 3.35Å; A1013-V1039 HydrophobicContact CB-CB 4.19Å; A1013-V1039 HydrophobicContact CB-CG1 3.71Å; A1013-R1041 VanDerWaalsContact CB-NH2 3.31Å; A1013-R1041 PolarHBondContact O-NE 2.77Å; A1013-R1041 PolarHBondContact O-NH1 2.87Å; A1013-R1041 VanDerWaalsContact O-NH1 3.11Å; A1013-R1041 PolarHBondContact O-NH2 2.96Å |
| 1014 | E | 79.6 | Confident | 77.6 | Confident | 145 Ų | 145 | 62 Ų | 62 | 68% | 0.678 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -84.9 | -19.7 | 177.4 | -66 | 177.9 | 179.5 | 0 | 0 | 113.8 | Q1010 L1011 I1012 R1041 | Q1010-E1014 PolarHBondContact O-N 3.33Å; L1011-E1014 PolarHBondContact O-N 2.95Å; I1012-E1014 PolarHBondContact O-N 2.8Å; E1014-R1041 VanDerWaalsContact CG-NH2 3.26Å |
| 1015 | A | 76 | Confident | 77.7 | Confident | 43 Ų | 43 | 66.8 Ų | 66.8 | 36% | 0.355 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -69.2 | 155.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1011 I1012 P1017 S1018 | L1011-A1015 PolarHBondContact O-N 2.73Å; I1012-A1015 PolarHBondContact O-N 2.77Å; A1015-P1017 CarbonylContact O-C 3.51Å; A1015-S1018 WeakPolarHBondContact O-CA 3.45Å; A1015-S1018 WeakPolarHBondContact O-CB 3.36Å; A1015-S1018 PolarHBondContact O-N 3.16Å |
| 1016 | N | 64.5 | Low | 77.1 | Confident | 164 Ų | 164 | 67.9 Ų | 67.9 | 88% | 0.877 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -133.4 | 107.8 | 176.8 | -147.4 | -0.1 | 0 | 0 | 0 | 111.3 | ||
| 1017 | P | 65.6 | Low | 75.9 | Confident | 73 Ų | 73 | 70.3 Ų | 70.3 | 47% | 0.474 | 36% | 0.359 | S | S | . | . | S | Bend | cis | -68.2 | 148.2 | 0.5 | 27.9 | -33.3 | 0 | 0 | 0 | 112.2 | A1015 R1019 | A1015-P1017 CarbonylContact O-C 3.51Å; P1017-R1019 HydrophobicContact CB-CG 4.08Å; P1017-R1019 HydrophobicContact CG-CG 3.91Å; P1017-R1019 PolarHBondContact O-N 2.75Å |
| 1018 | S | 79.6 | Confident | 74.6 | Confident | 38 Ų | 38 | 79.6 Ų | 79.6 | 27% | 0.266 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -73.7 | 57.9 | -177.3 | 54.7 | 0 | 0 | 0 | 0 | 112.7 | I1012 A1015 V1039 | I1012-S1018 CarbonylContact O-C 3.53Å; I1012-S1018 VanDerWaalsContact O-CA 3.23Å; I1012-S1018 WeakPolarHBondContact O-CA 3.28Å; I1012-S1018 WeakPolarHBondContact O-CB 3.47Å; A1015-S1018 WeakPolarHBondContact O-CA 3.45Å; A1015-S1018 WeakPolarHBondContact O-CB 3.36Å; A1015-S1018 PolarHBondContact O-N 3.16Å; S1018-V1039 WeakPolarHBondContact CB-O 2.91Å; S1018-V1039 PolarHBondContact O-N 2.79Å; S1018-V1039 PolarHBondContact OG-O 2.81Å |
| 1019 | R | 77.9 | Confident | 73.1 | Confident | 120 Ų | 120 | 82.1 Ų | 82.1 | 45% | 0.453 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 151 | -174.7 | 71.5 | -177 | -174.1 | -175.9 | 0.7 | 112.1 | P1017 V1037 A1038 G1160 | P1017-R1019 HydrophobicContact CB-CG 4.08Å; P1017-R1019 HydrophobicContact CG-CG 3.91Å; P1017-R1019 PolarHBondContact O-N 2.75Å; R1019-V1037 CarbonylContact C-O 3.51Å; R1019-V1037 WeakPolarHBondContact CA-O 3.4Å; R1019-A1038 HydrophobicContact CB-CB 4.36Å; R1019-G1160 VanDerWaalsContact NH1-CA 3.28Å |
| 1020 | C | 81.7 | Confident | 71.6 | Confident | 43 Ų | 43 | 83.9 Ų | 83.9 | 29% | 0.291 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 155.8 | 168.1 | 79 | 0 | 0 | 0 | 0 | 111.2 | I1012 V1037 | I1012-C1020 HydrophobicContact CD1-CB 4.3Å; I1012-C1020 WeakPolarHBondContact CD1-SG 3.37Å; I1012-C1020 HydrophobicContact CG1-CB 4.26Å; C1020-V1037 PolarHBondContact N-O 2.84Å; C1020-V1037 PolarHBondContact O-N 3.21Å |
| 1021 | I | 76.7 | Confident | 70.5 | Confident | 107 Ų | 107 | 86.5 Ų | 86.5 | 55% | 0.549 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 120.1 | 167.7 | -59 | 175.3 | 0 | 0 | 0 | 107.2 | M1034 V1065 | I1021-M1034 HydrophobicContact CG2-CE 3.43Å; I1021-M1034 VanDerWaalsContact CG2-CE 3.43Å; I1021-V1065 HydrophobicContact CG2-CG2 4.39Å |
| 1022 | A | 76.6 | Confident | 69.6 | Low | 11 Ų | 11 | 82.4 Ų | 82.4 | 9% | 0.091 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | C1005 V1035 V1037 | C1005-A1022 VanDerWaalsContact SG-CB 3.59Å; A1022-V1035 PolarHBondContact N-O 3.14Å; A1022-V1035 PolarHBondContact O-N 3.42Å; A1022-V1037 HydrophobicContact CB-CG2 4.13Å |
| 1023 | E | 76 | Confident | 69.2 | Low | 73 Ų | 73 | 83 Ų | 83 | 34% | 0.341 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 108.3 | 176.3 | -175.2 | -177.4 | -159.8 | 0 | 0 | 110 | R1025 S1032 M1034 | E1023-R1025 HydrophobicContact CG-CG 4.05Å; E1023-R1025 PolarHBondContact O-N 2.78Å; E1023-R1025 IonicContact OE2-CZ 3.36Å; E1023-R1025 IonicContact OE2-NE 2.92Å; E1023-R1025 PolarHBondContact OE2-NE 3.39Å; E1023-R1025 IonicContact OE2-NH2 2.87Å; E1023-R1025 PolarHBondContact OE2-NH2 3.15Å; E1023-S1032 WeakPolarHBondContact OE1-CB 3.43Å; E1023-S1032 PolarHBondContact OE1-OG 2.69Å; E1023-S1032 VanDerWaalsContact OE1-OG 3.09Å; E1023-M1034 HydrophobicContact CB-CE 4.43Å; E1023-M1034 HydrophobicContact CB-SD 3.7Å; E1023-M1034 HydrophobicContact CG-SD 3.7Å |
| 1024 | C | 74.1 | Confident | 68.9 | Low | 2 Ų | 2 | 85.1 Ų | 85.1 | 1% | 0.014 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 104.1 | 173 | -62.7 | 0 | 0 | 0 | 0 | 109.5 | Y1003 C1005 S1032 I1033 | Y1003-C1024 HydrophobicContact CD1-CB 4.3Å; Y1003-C1024 WeakPolarHBondContact CD1-O 3.21Å; C1005-C1024 HydrophobicContact CB-CB 4.24Å; C1005-C1024 WeakPolarHBondContact CB-SG 3.46Å; C1024-S1032 VanDerWaalsContact O-CA 3.32Å; C1024-S1032 WeakPolarHBondContact O-CA 3.41Å; C1024-I1033 HydrophobicContact CB-CB 4.3Å; C1024-I1033 WeakPolarHBondContact CB-O 3.5Å; C1024-I1033 PolarHBondContact N-O 2.94Å; C1024-I1033 PolarHBondContact O-N 3.23Å; C1024-I1033 VanDerWaalsContact O-N 3.12Å |
| 1025 | R | 69.7 | Low | 68.9 | Low | 165 Ų | 165 | 78.4 Ų | 78.4 | 62% | 0.623 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 139.6 | 178.2 | -65.5 | -176 | -177.6 | 165.7 | 4.3 | 111.5 | S1004 E1023 | S1004-R1025 PolarHBondContact N-O 3.06Å; E1023-R1025 HydrophobicContact CG-CG 4.05Å; E1023-R1025 PolarHBondContact O-N 2.78Å; E1023-R1025 IonicContact OE2-CZ 3.36Å; E1023-R1025 IonicContact OE2-NE 2.92Å; E1023-R1025 PolarHBondContact OE2-NE 3.39Å; E1023-R1025 IonicContact OE2-NH2 2.87Å; E1023-R1025 PolarHBondContact OE2-NH2 3.15Å |
| 1026 | P | 63.2 | Low | 69.3 | Low | 31 Ų | 31 | 76.7 Ų | 76.7 | 20% | 0.201 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 142.4 | 174.1 | 25.5 | -21.9 | 0 | 0 | 0 | 112.3 | Q1002 Y1003 R1028 G1030 | Q1002-P1026 CarbonylContact O-C 3.37Å; Q1002-P1026 WeakPolarHBondContact O-CA 3.39Å; Y1003-P1026 HydrophobicContact CD1-CB 3.85Å; Y1003-P1026 HydrophobicContact CD1-CG 4.34Å; Y1003-P1026 HydrophobicContact CE1-CB 3.39Å; Y1003-P1026 HydrophobicContact CE1-CG 3.62Å; Y1003-P1026 HydrophobicContact CE2-CB 4.29Å; Y1003-P1026 HydrophobicContact CG-CB 4.48Å; P1026-R1028 VanDerWaalsContact C-N 3.26Å; P1026-R1028 VanDerWaalsContact CB-O 3.3Å; P1026-R1028 WeakPolarHBondContact CB-O 3.28Å; P1026-R1028 PolarHBondContact O-N 2.99Å; P1026-G1030 WeakPolarHBondContact CG-O 3.41Å |
| 1027 | M | 54 | Low | 70.3 | Confident | 154 Ų | 154 | 68.9 Ų | 68.9 | 76% | 0.759 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -63.2 | -27.2 | 174 | -82.4 | -87 | -133.3 | 0 | 0 | 113.2 | Q1002 | Q1002-M1027 PolarHBondContact O-N 2.84Š|
| 1028 | R | 54.1 | Low | 71.3 | Confident | 206 Ų | 206 | 65.7 Ų | 65.7 | 78% | 0.777 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -121.7 | 147.1 | 173.8 | -67.4 | -174.4 | 179.6 | -175.4 | 0 | 108.8 | P1026 G1030 | P1026-R1028 VanDerWaalsContact C-N 3.26Å; P1026-R1028 VanDerWaalsContact CB-O 3.3Å; P1026-R1028 WeakPolarHBondContact CB-O 3.28Å; P1026-R1028 PolarHBondContact O-N 2.99Å; R1028-G1030 PolarHBondContact O-N 2.85Å |
| 1029 | S | 53.1 | Low | 71.6 | Confident | 134 Ų | 134 | 63.9 Ų | 63.9 | 94% | 0.937 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -38.3 | 106.2 | -177.9 | 60.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1030 | G | 54.4 | Low | 71.9 | Confident | 50 Ų | 50 | 60.7 Ų | 60.7 | 52% | 0.515 | 32% | 0.317 | S | S | . | . | trans | -163.1 | 173.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1026 R1028 | P1026-G1030 WeakPolarHBondContact CG-O 3.41Å; R1028-G1030 PolarHBondContact O-N 2.85Å | ||
| 1031 | K | 59.5 | Low | 71.8 | Confident | 128 Ų | 128 | 64.1 Ų | 64.1 | 56% | 0.557 | 32% | 0.324 | S | S | * | . | trans | -71.1 | 127.1 | -178.3 | -61.5 | 175 | 180 | 176.6 | 0 | 110.5 | Y1003 | Y1003-K1031 WeakPolarHBondContact CE1-O 3.26Å; Y1003-K1031 VanDerWaalsContact CZ-O 3.29Å; Y1003-K1031 PolarHBondContact OH-O 2.88Å | ||
| 1032 | S | 65.2 | Low | 71.7 | Confident | 24 Ų | 24 | 61.9 Ų | 61.9 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | trans | -71.4 | 148.4 | 166.5 | 53.2 | 0 | 0 | 0 | 0 | 110.8 | E1023 C1024 | E1023-S1032 WeakPolarHBondContact OE1-CB 3.43Å; E1023-S1032 PolarHBondContact OE1-OG 2.69Å; E1023-S1032 VanDerWaalsContact OE1-OG 3.09Å; C1024-S1032 VanDerWaalsContact O-CA 3.32Å; C1024-S1032 WeakPolarHBondContact O-CA 3.41Å | ||
| 1033 | I | 72.1 | Confident | 71.2 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.1 | 176.6 | -59.6 | 172.9 | 0 | 0 | 0 | 107.2 | F955 V997 C1024 V1035 L1100 | F955-I1033 HydrophobicContact CZ-CG2 4.33Å; V997-I1033 HydrophobicContact CB-CD1 4.24Å; V997-I1033 HydrophobicContact CG1-CD1 3.71Å; C1024-I1033 HydrophobicContact CB-CB 4.3Å; C1024-I1033 WeakPolarHBondContact CB-O 3.5Å; C1024-I1033 PolarHBondContact N-O 2.94Å; C1024-I1033 PolarHBondContact O-N 3.23Å; C1024-I1033 VanDerWaalsContact O-N 3.12Å; I1033-V1035 HydrophobicContact CG2-CG2 4.12Å; I1033-L1100 HydrophobicContact CG2-CD2 4.3Å |
| 1034 | M | 73.9 | Confident | 70.4 | Confident | 47 Ų | 47 | 63.4 Ų | 63.4 | 23% | 0.232 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 123.6 | 175.8 | -61.3 | -60.9 | -79 | 0 | 0 | 109.3 | I1021 E1023 V1065 | I1021-M1034 HydrophobicContact CG2-CE 3.43Å; I1021-M1034 VanDerWaalsContact CG2-CE 3.43Å; E1023-M1034 HydrophobicContact CB-CE 4.43Å; E1023-M1034 HydrophobicContact CB-SD 3.7Å; E1023-M1034 HydrophobicContact CG-SD 3.7Å; M1034-V1065 HydrophobicContact CB-CG2 3.83Å |
| 1035 | V | 79.9 | Confident | 69.2 | Low | 5 Ų | 5 | 72.8 Ų | 72.8 | 3% | 0.03 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.5 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | L953 A1022 I1033 V1037 F1062 | L953-V1035 HydrophobicContact CD1-CG1 3.9Å; L953-V1035 HydrophobicContact CD1-CG2 4.01Å; L953-V1035 HydrophobicContact CD2-CG1 4.34Å; L953-V1035 HydrophobicContact CD2-CG2 4.5Å; A1022-V1035 PolarHBondContact N-O 3.14Å; A1022-V1035 PolarHBondContact O-N 3.42Å; I1033-V1035 HydrophobicContact CG2-CG2 4.12Å; V1035-V1037 HydrophobicContact CG1-CG2 4.39Å; V1035-F1062 HydrophobicContact CG1-CB 4.32Å; V1035-F1062 HydrophobicContact CG1-CD1 4.37Å |
| 1036 | S | 82.8 | Confident | 67.9 | Low | 7 Ų | 7 | 66.8 Ų | 66.8 | 5% | 0.049 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 128.3 | 168.7 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | L1063 | S1036-L1063 WeakPolarHBondContact CB-O 3.42Å; S1036-L1063 PolarHBondContact N-O 2.81Å; S1036-L1063 PolarHBondContact O-N 2.85Å |
| 1037 | V | 86.5 | Confident | 66.9 | Low | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.9 | 177.7 | -174.4 | 0 | 0 | 0 | 0 | 107.2 | I1007 I1012 R1019 C1020 A1022 V1035 I1060 F1062 | I1007-V1037 HydrophobicContact CD1-CG2 3.83Å; I1007-V1037 HydrophobicContact CG2-CG1 4.21Å; I1012-V1037 HydrophobicContact CD1-CB 4.4Å; I1012-V1037 HydrophobicContact CD1-CG1 4.08Å; R1019-V1037 CarbonylContact C-O 3.51Å; R1019-V1037 WeakPolarHBondContact CA-O 3.4Å; C1020-V1037 PolarHBondContact N-O 2.84Å; C1020-V1037 PolarHBondContact O-N 3.21Å; A1022-V1037 HydrophobicContact CB-CG2 4.13Å; V1035-V1037 HydrophobicContact CG1-CG2 4.39Å; V1037-I1060 HydrophobicContact CG1-CG2 3.92Å; V1037-F1062 HydrophobicContact CG1-CD1 4.3Å; V1037-F1062 HydrophobicContact CG1-CE1 3.96Å; V1037-F1062 HydrophobicContact CG2-CD1 4.05Å; V1037-F1062 HydrophobicContact CG2-CE1 4.16Å |
| 1038 | A | 86.5 | Confident | 66.3 | Low | 6 Ų | 6 | 73.7 Ų | 73.7 | 5% | 0.05 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | R1019 T1061 L1063 | R1019-A1038 HydrophobicContact CB-CB 4.36Å; A1038-T1061 PolarHBondContact N-O 2.84Å; A1038-T1061 PolarHBondContact O-N 2.81Å; A1038-L1063 HydrophobicContact CB-CD1 4.27Å |
| 1039 | V | 86.9 | Confident | 65.5 | Low | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 118.3 | 175 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | I1012 A1013 S1018 T1059 I1060 | I1012-V1039 HydrophobicContact CB-CG2 4.12Å; I1012-V1039 HydrophobicContact CG2-CB 4.38Å; I1012-V1039 HydrophobicContact CG2-CG2 3.76Å; A1013-V1039 HydrophobicContact CB-CB 4.19Å; A1013-V1039 HydrophobicContact CB-CG1 3.71Å; S1018-V1039 WeakPolarHBondContact CB-O 2.91Å; S1018-V1039 PolarHBondContact O-N 2.79Å; S1018-V1039 PolarHBondContact OG-O 2.81Å; V1039-T1059 WeakPolarHBondContact CA-O 3.34Å; V1039-I1060 HydrophobicContact CG1-CG1 4.49Å; V1039-I1060 HydrophobicContact CG2-CG1 4.19Å; V1039-I1060 HydrophobicContact CG2-CG2 4.36Å |
| 1040 | T | 83.5 | Confident | 64.9 | Low | 53 Ų | 53 | 69 Ų | 69 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 126 | 174.9 | 55.7 | 0 | 0 | 0 | 0 | 109.9 | T1059 | T1040-T1059 PolarHBondContact N-O 2.8Å; T1040-T1059 PolarHBondContact O-N 2.88Å; T1040-T1059 PolarHBondContact OG1-O 2.88Å |
| 1041 | R | 80.5 | Confident | 64.4 | Low | 114 Ų | 114 | 78.1 Ų | 78.1 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 115.2 | 172.9 | -68.2 | -180 | 168.9 | 164.1 | 0.4 | 109.3 | A1013 E1014 H1058 | A1013-R1041 VanDerWaalsContact CB-NH2 3.31Å; A1013-R1041 PolarHBondContact O-NE 2.77Å; A1013-R1041 PolarHBondContact O-NH1 2.87Å; A1013-R1041 VanDerWaalsContact O-NH1 3.11Å; A1013-R1041 PolarHBondContact O-NH2 2.96Å; E1014-R1041 VanDerWaalsContact CG-NH2 3.26Å; R1041-H1058 PolarHBondContact NE-NE2 3.25Å |
| 1042 | T | 73.2 | Confident | 63.6 | Low | 61 Ų | 61 | 76 Ų | 76 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 113.3 | 172.3 | 46 | 0 | 0 | 0 | 0 | 109.4 | E1057 | T1042-E1057 PolarHBondContact N-O 2.86Å; T1042-E1057 PolarHBondContact O-N 3.49Å; T1042-E1057 VanDerWaalsContact O-N 3.11Å; T1042-E1057 WeakPolarHBondContact OG1-CB 3.3Å; T1042-E1057 PolarHBondContact OG1-O 2.78Å |
| 1043 | S | 67.5 | Low | 62.9 | Low | 61 Ų | 61 | 79.7 Ų | 79.7 | 43% | 0.427 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 135.6 | 168.7 | 60.7 | 0 | 0 | 0 | 0 | 109.9 | K1045 | S1043-K1045 PolarHBondContact O-N 2.8Å |
| 1044 | F | 58.7 | Low | 62.1 | Low | 54 Ų | 54 | 85.5 Ų | 85.5 | 24% | 0.237 | 41% | 0.409 | C | S | . | . | trans | -89 | 103.1 | 168.7 | -76 | -85 | 0 | 0 | 0 | 108.5 | S900 C902 K928 G1046 E1057 | S900-F1044 VanDerWaalsContact O-CD1 3.24Å; S900-F1044 WeakPolarHBondContact O-CD1 3.29Å; S900-F1044 WeakPolarHBondContact O-CE1 3.46Å; C902-F1044 HydrophobicContact CB-CD2 3.99Å; C902-F1044 WeakPolarHBondContact SG-CD2 3.49Å; C902-F1044 WeakPolarHBondContact SG-CE2 3.4Å; K928-F1044 HydrophobicContact CD-CZ 4.37Å; F1044-G1046 VanDerWaalsContact C-N 3.28Å; F1044-G1046 PolarHBondContact O-N 2.8Å; F1044-E1057 HydrophobicContact CE2-CB 3.72Å; F1044-E1057 WeakPolarHBondContact CE2-OE2 3.37Å; F1044-E1057 WeakPolarHBondContact CZ-OE2 3.41Å | ||
| 1045 | K | 47.5 | Very low | 61.9 | Low | 200 Ų | 200 | 85.2 Ų | 85.2 | 87% | 0.87 | 41% | 0.408 | S | S | * | . | trans | -75.5 | 81.2 | 170.9 | -68.4 | -171.3 | 175.7 | -170 | 0 | 109.2 | S1043 | S1043-K1045 PolarHBondContact O-N 2.8Š| ||
| 1046 | G | 43.2 | Very low | 61.6 | Low | 39 Ų | 39 | 88.2 Ų | 88.2 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | trans | -106.1 | 113.3 | 164 | 0 | 0 | 0 | 0 | 0 | 108.5 | F1044 W1048 L1049 | F1044-G1046 VanDerWaalsContact C-N 3.28Å; F1044-G1046 PolarHBondContact O-N 2.8Å; G1046-W1048 PolarHBondContact O-N 2.9Å; G1046-L1049 PolarHBondContact O-N 3.12Å | ||
| 1047 | E | 42.8 | Very low | 61.5 | Low | 127 Ų | 127 | 88.5 Ų | 88.5 | 59% | 0.593 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -3.1 | -176.7 | -67.9 | 177.3 | 160.9 | 0 | 0 | 115.5 | Y1050 | E1047-Y1050 VanDerWaalsContact O-CD2 3.3Å; E1047-Y1050 WeakPolarHBondContact O-CD2 3.44Å; E1047-Y1050 VanDerWaalsContact O-CE2 3.31Å; E1047-Y1050 WeakPolarHBondContact O-CE2 3.5Å |
| 1048 | W | 41.5 | Very low | 61.6 | Low | 202 Ų | 202 | 90.1 Ų | 90.1 | 77% | 0.765 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | 3.8 | -168.3 | -51.3 | 92.4 | 0 | 0 | 0 | 114.3 | G1046 Y1050 | G1046-W1048 PolarHBondContact O-N 2.9Å; W1048-Y1050 PolarHBondContact O-N 2.9Å |
| 1049 | L | 36.2 | Very low | 61.6 | Low | 70 Ų | 70 | 91 Ų | 91 | 37% | 0.366 | 43% | 0.434 | S | S | . | . | trans | -97.6 | 59.6 | 174.3 | -78.7 | 157 | 0 | 0 | 0 | 110.2 | G1046 R1051 | G1046-L1049 PolarHBondContact O-N 3.12Å; L1049-R1051 PolarHBondContact O-N 2.85Å | ||
| 1050 | Y | 41.4 | Very low | 61.8 | Low | 173 Ų | 173 | 91 Ų | 91 | 68% | 0.678 | 43% | 0.434 | S | S | * | . | trans | -76.8 | 5.6 | -174.7 | -104 | -83.2 | 0 | 0 | 0 | 115.5 | E1047 W1048 | E1047-Y1050 VanDerWaalsContact O-CD2 3.3Å; E1047-Y1050 WeakPolarHBondContact O-CD2 3.44Å; E1047-Y1050 VanDerWaalsContact O-CE2 3.31Å; E1047-Y1050 WeakPolarHBondContact O-CE2 3.5Å; W1048-Y1050 PolarHBondContact O-N 2.9Å | ||
| 1051 | R | 43.3 | Very low | 62 | Low | 241 Ų | 241 | 89.1 Ų | 89.1 | 91% | 0.909 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -136.3 | -2.5 | -175 | -87.3 | -165.5 | -125.9 | -170.5 | 0.7 | 117.4 | L1049 | L1049-R1051 PolarHBondContact O-N 2.85Š|
| 1052 | D | 42.8 | Very low | 62.3 | Low | 84 Ų | 84 | 83.7 Ų | 83.7 | 45% | 0.449 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -108.1 | 143.8 | 179.5 | -75.5 | -31.2 | 0 | 0 | 0 | 111.5 | M1054 | D1052-M1054 PolarHBondContact O-N 2.86Š|
| 1053 | P | 49.6 | Very low | 62.8 | Low | 101 Ų | 101 | 81.6 Ų | 81.6 | 66% | 0.656 | 39% | 0.388 | S | S | * | . | trans | -53.4 | 138.4 | 177.8 | 21.4 | -32.5 | 0 | 0 | 0 | 110.7 | L1055 | P1053-L1055 WeakPolarHBondContact O-CG 3.18Å; P1053-L1055 PolarHBondContact O-N 2.82Å | ||
| 1054 | M | 57 | Low | 63.5 | Low | 150 Ų | 150 | 78.9 Ų | 78.9 | 74% | 0.739 | 37% | 0.369 | S | S | * | . | trans | -48.5 | 102.3 | -179.9 | -84.8 | -105.4 | 155.9 | 0 | 0 | 111.5 | D1052 F1056 | D1052-M1054 PolarHBondContact O-N 2.86Å; M1054-F1056 HydrophobicContact CB-CE2 3.71Å; M1054-F1056 HydrophobicContact CB-CZ 3.89Å; M1054-F1056 HydrophobicContact CG-CZ 4.49Å; M1054-F1056 WeakPolarHBondContact O-CD2 3.33Å; M1054-F1056 WeakPolarHBondContact O-CE2 3.29Å; M1054-F1056 HydrophobicContact SD-CE1 4.45Å; M1054-F1056 HydrophobicContact SD-CZ 4.08Å | ||
| 1055 | L | 68.3 | Low | 64.4 | Low | 41 Ų | 41 | 78.4 Ų | 78.4 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | trans | -88.9 | 124.7 | 175.8 | -61.9 | 177.3 | 0 | 0 | 0 | 108.9 | C902 P904 P926 P1053 | C902-L1055 HydrophobicContact CB-CB 4.14Å; P904-L1055 HydrophobicContact CB-CD1 3.98Å; P904-L1055 HydrophobicContact CG-CD1 4.23Å; P926-L1055 HydrophobicContact CB-CB 4.14Å; P926-L1055 HydrophobicContact CB-CD1 4.19Å; P926-L1055 HydrophobicContact CB-CD2 4.05Å; P926-L1055 HydrophobicContact CB-CG 4.33Å; P1053-L1055 WeakPolarHBondContact O-CG 3.18Å; P1053-L1055 PolarHBondContact O-N 2.82Å | ||
| 1056 | F | 74.9 | Confident | 65.9 | Low | 69 Ų | 69 | 69 Ų | 69 | 30% | 0.303 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139.9 | 178.6 | -59.2 | -89.3 | 0 | 0 | 0 | 111.2 | M1054 H1058 | M1054-F1056 HydrophobicContact CB-CE2 3.71Å; M1054-F1056 HydrophobicContact CB-CZ 3.89Å; M1054-F1056 HydrophobicContact CG-CZ 4.49Å; M1054-F1056 WeakPolarHBondContact O-CD2 3.33Å; M1054-F1056 WeakPolarHBondContact O-CE2 3.29Å; M1054-F1056 HydrophobicContact SD-CE1 4.45Å; M1054-F1056 HydrophobicContact SD-CZ 4.08Å; F1056-H1058 PolarHBondContact O-ND1 2.82Å |
| 1057 | E | 80.3 | Confident | 67.8 | Low | 12 Ų | 12 | 68.5 Ų | 68.5 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 129.9 | 161 | 170.3 | 175.3 | -157 | 0 | 0 | 108.3 | K928 A946 Q948 T1042 F1044 | K928-E1057 VanDerWaalsContact NZ-CD 3.34Å; K928-E1057 IonicContact NZ-OE1 2.66Å; K928-E1057 PolarHBondContact NZ-OE1 2.7Å; K928-E1057 IonicContact NZ-OE2 3.72Å; K928-E1057 PolarHBondContact NZ-OE2 3.38Å; A946-E1057 CarbonylContact O-C 3.49Å; A946-E1057 WeakPolarHBondContact O-CA 3.16Å; A946-E1057 WeakPolarHBondContact O-CG 3.3Å; Q948-E1057 PolarHBondContact NE2-OE1 2.84Å; T1042-E1057 PolarHBondContact N-O 2.86Å; T1042-E1057 PolarHBondContact O-N 3.49Å; T1042-E1057 VanDerWaalsContact O-N 3.11Å; T1042-E1057 WeakPolarHBondContact OG1-CB 3.3Å; T1042-E1057 PolarHBondContact OG1-O 2.78Å; F1044-E1057 HydrophobicContact CE2-CB 3.72Å; F1044-E1057 WeakPolarHBondContact CE2-OE2 3.37Å; F1044-E1057 WeakPolarHBondContact CZ-OE2 3.41Å |
| 1058 | H | 87.2 | Confident | 69.9 | Low | 35 Ų | 35 | 62.7 Ų | 62.7 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.1 | -179.5 | -69.5 | 81.6 | 0 | 0 | 0 | 108.6 | A946 L947 Q948 W1009 R1041 F1056 | A946-H1058 PolarHBondContact O-N 3.15Å; L947-H1058 WeakPolarHBondContact CA-O 3.3Å; L947-H1058 HydrophobicContact CD1-CB 3.76Å; Q948-H1058 PolarHBondContact N-O 3.3Å; W1009-H1058 HydrophobicContact CZ3-CB 4.3Å; W1009-H1058 AromaticContact CZ3-CD2 3.96Å; R1041-H1058 PolarHBondContact NE-NE2 3.25Å; F1056-H1058 PolarHBondContact O-ND1 2.82Å |
| 1059 | T | 87.5 | Confident | 72.1 | Confident | 24 Ų | 24 | 54 Ų | 54 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 121.3 | 170.2 | -55 | 0 | 0 | 0 | 0 | 109.2 | Q948 H950 V1039 T1040 | Q948-T1059 HydrophobicContact CB-CG2 4.35Å; Q948-T1059 WeakPolarHBondContact O-CA 3.02Å; H950-T1059 HydrophobicContact CB-CG2 4.09Å; V1039-T1059 WeakPolarHBondContact CA-O 3.34Å; T1040-T1059 PolarHBondContact N-O 2.8Å; T1040-T1059 PolarHBondContact O-N 2.88Å; T1040-T1059 PolarHBondContact OG1-O 2.88Å |
| 1060 | I | 90.5 | Very high | 74.7 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 115.6 | 175.4 | -53.2 | 174.4 | 0 | 0 | 0 | 107.7 | L947 Q948 L949 H950 I993 W1009 V1037 V1039 F1062 | L947-I1060 HydrophobicContact CD1-CD1 4.12Å; L947-I1060 HydrophobicContact CD1-CG1 4.35Å; Q948-I1060 PolarHBondContact O-N 2.8Å; L949-I1060 HydrophobicContact CD2-CB 3.87Å; L949-I1060 HydrophobicContact CD2-CD1 3.78Å; L949-I1060 HydrophobicContact CD2-CG1 4.22Å; L949-I1060 HydrophobicContact CD2-CG2 4.47Å; H950-I1060 PolarHBondContact N-O 2.84Å; I993-I1060 HydrophobicContact CD1-CD1 3.74Å; W1009-I1060 HydrophobicContact CB-CD1 3.61Å; W1009-I1060 HydrophobicContact CB-CG1 4.42Å; W1009-I1060 HydrophobicContact CD2-CD1 3.66Å; W1009-I1060 HydrophobicContact CE3-CD1 3.95Å; W1009-I1060 HydrophobicContact CE3-CG1 4.43Å; W1009-I1060 HydrophobicContact CG-CD1 3.51Å; V1037-I1060 HydrophobicContact CG1-CG2 3.92Å; V1039-I1060 HydrophobicContact CG1-CG1 4.49Å; V1039-I1060 HydrophobicContact CG2-CG1 4.19Å; V1039-I1060 HydrophobicContact CG2-CG2 4.36Å; I1060-F1062 HydrophobicContact CB-CZ 4.48Å; I1060-F1062 HydrophobicContact CG2-CE1 3.8Å; I1060-F1062 HydrophobicContact CG2-CE2 4.2Å; I1060-F1062 HydrophobicContact CG2-CZ 3.55Å |
| 1061 | T | 88.4 | Confident | 76.9 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.5 | -173.2 | -24.5 | 0 | 0 | 0 | 0 | 110.1 | H950 A1038 L1063 | H950-T1061 HydrophobicContact CB-CG2 4.08Å; H950-T1061 WeakPolarHBondContact O-CA 3.44Å; A1038-T1061 PolarHBondContact N-O 2.84Å; A1038-T1061 PolarHBondContact O-N 2.81Å; T1061-L1063 HydrophobicContact CG2-CD1 4.48Å; T1061-L1063 HydrophobicContact CG2-CG 4.46Å |
| 1062 | F | 87.5 | Confident | 79 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 116.5 | 177.4 | -56.7 | -67.6 | 0 | 0 | 0 | 110.4 | L949 H950 C952 L953 I957 I995 I1007 V1035 V1037 I1060 | L949-F1062 HydrophobicContact CB-CE2 4.45Å; L949-F1062 HydrophobicContact CD2-CE2 4.3Å; L949-F1062 HydrophobicContact CD2-CZ 4.45Å; H950-F1062 PolarHBondContact O-N 2.91Å; C952-F1062 CarbonylContact C-O 3.56Å; C952-F1062 VanDerWaalsContact CA-O 3.27Å; C952-F1062 WeakPolarHBondContact CA-O 3.35Å; C952-F1062 WeakPolarHBondContact CB-O 3.35Å; C952-F1062 PolarHBondContact N-O 2.87Å; L953-F1062 HydrophobicContact CD1-CB 3.94Å; L953-F1062 HydrophobicContact CG-CB 4.14Å; I957-F1062 HydrophobicContact CD1-CD2 3.32Å; I957-F1062 HydrophobicContact CD1-CE2 3.62Å; I957-F1062 HydrophobicContact CD1-CG 3.98Å; I995-F1062 HydrophobicContact CD1-CD1 3.63Å; I995-F1062 HydrophobicContact CD1-CE1 3.09Å; I995-F1062 HydrophobicContact CD1-CE2 4.14Å; I995-F1062 HydrophobicContact CD1-CG 4.37Å; I995-F1062 HydrophobicContact CD1-CZ 3.37Å; I995-F1062 HydrophobicContact CG1-CE1 4.47Å; I995-F1062 HydrophobicContact CG1-CZ 4.48Å; I1007-F1062 HydrophobicContact CD1-CE1 4.15Å; V1035-F1062 HydrophobicContact CG1-CB 4.32Å; V1035-F1062 HydrophobicContact CG1-CD1 4.37Å; V1037-F1062 HydrophobicContact CG1-CD1 4.3Å; V1037-F1062 HydrophobicContact CG1-CE1 3.96Å; V1037-F1062 HydrophobicContact CG2-CD1 4.05Å; V1037-F1062 HydrophobicContact CG2-CE1 4.16Å; I1060-F1062 HydrophobicContact CB-CZ 4.48Å; I1060-F1062 HydrophobicContact CG2-CE1 3.8Å; I1060-F1062 HydrophobicContact CG2-CE2 4.2Å; I1060-F1062 HydrophobicContact CG2-CZ 3.55Å |
| 1063 | L | 83.3 | Confident | 80.9 | Confident | 16 Ų | 16 | 29.7 Ų | 29.7 | 8% | 0.084 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 149.1 | -172 | -66.6 | 145.1 | 0 | 0 | 0 | 111.5 | C952 S1036 A1038 T1061 L1159 | C952-L1063 HydrophobicContact CB-CD2 3.85Å; C952-L1063 HydrophobicContact CB-CG 4.38Å; S1036-L1063 WeakPolarHBondContact CB-O 3.42Å; S1036-L1063 PolarHBondContact N-O 2.81Å; S1036-L1063 PolarHBondContact O-N 2.85Å; A1038-L1063 HydrophobicContact CB-CD1 4.27Å; T1061-L1063 HydrophobicContact CG2-CD1 4.48Å; T1061-L1063 HydrophobicContact CG2-CG 4.46Å; L1063-L1159 HydrophobicContact CD1-CB 3.87Å; L1063-L1159 HydrophobicContact CD1-CD1 4.17Å; L1063-L1159 HydrophobicContact CD1-CG 4.49Å; L1063-L1159 HydrophobicContact CD2-CD1 4.35Å |
| 1064 | P | 80.8 | Confident | 82.7 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | trans | -67 | 153.4 | 166.8 | 30.6 | -35.5 | 0 | 0 | 0 | 111.2 | L1067 P1098 L1100 C1161 | P1064-L1067 HydrophobicContact CG-CD1 4.28Å; P1064-L1067 HydrophobicContact CG-CD2 3.94Å; P1064-L1067 HydrophobicContact CG-CG 3.9Å; P1064-P1098 HydrophobicContact CB-CB 3.4Å; P1064-P1098 HydrophobicContact CG-CB 3.77Å; P1064-L1100 HydrophobicContact CB-CD2 4.49Å; P1064-C1161 PolarHBondContact O-SG 2.83Å; P1064-C1161 VanDerWaalsContact O-SG 3.38Å | ||
| 1065 | V | 77.7 | Confident | 84.3 | Confident | 44 Ų | 44 | 25.7 Ų | 25.7 | 27% | 0.267 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -71.6 | -37.4 | 179.7 | 178.5 | 0 | 0 | 0 | 0 | 112 | I1021 M1034 F1162 | I1021-V1065 HydrophobicContact CG2-CG2 4.39Å; M1034-V1065 HydrophobicContact CB-CG2 3.83Å; V1065-F1162 PolarHBondContact O-N 2.71Å |
| 1066 | A | 79.9 | Confident | 85.3 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 2% | 0.017 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 147.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1098 L1099 L1127 F1162 | A1066-P1098 WeakPolarHBondContact O-CA 3.45Å; A1066-L1099 HydrophobicContact CB-CB 4.2Å; A1066-L1099 PolarHBondContact O-N 3.36Å; A1066-L1127 HydrophobicContact CB-CD2 3.97Å; A1066-F1162 CarbonylContact C-O 3.36Å; A1066-F1162 WeakPolarHBondContact CA-O 3.3Å; A1066-F1162 HydrophobicContact CB-CB 4.07Å |
| 1067 | L | 83.8 | Confident | 86 | Confident | 29 Ų | 29 | 23.5 Ų | 23.5 | 15% | 0.152 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128 | 179.2 | -80.6 | 164.2 | 0 | 0 | 0 | 109.8 | P1064 P1098 C1161 F1162 E1163 I1164 | P1064-L1067 HydrophobicContact CG-CD1 4.28Å; P1064-L1067 HydrophobicContact CG-CD2 3.94Å; P1064-L1067 HydrophobicContact CG-CG 3.9Å; L1067-P1098 HydrophobicContact CD2-CB 4.19Å; L1067-C1161 WeakPolarHBondContact CD1-SG 2.9Å; L1067-C1161 VanDerWaalsContact CG-SG 3.57Å; L1067-F1162 PolarHBondContact N-O 2.78Å; L1067-E1163 HydrophobicContact CB-CG 4.41Å; L1067-E1163 WeakPolarHBondContact O-CA 3.44Å; L1067-I1164 PolarHBondContact O-N 3.28Å |
| 1068 | F | 87 | Confident | 86.4 | Confident | 5 Ų | 5 | 23 Ų | 23 | 2% | 0.022 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 123.3 | 163.2 | -105 | -82.2 | 0 | 0 | 0 | 108.9 | V1078 V1091 S1096 S1097 L1099 V1110 I1164 | F1068-V1078 HydrophobicContact CD1-CG1 4.33Å; F1068-V1078 HydrophobicContact CD1-CG2 4.22Å; F1068-V1078 HydrophobicContact CD2-CG1 4.24Å; F1068-V1078 HydrophobicContact CE1-CG1 4.07Å; F1068-V1078 HydrophobicContact CE1-CG2 4.5Å; F1068-V1078 HydrophobicContact CE2-CG1 3.97Å; F1068-V1078 HydrophobicContact CG-CG1 4.41Å; F1068-V1078 HydrophobicContact CZ-CG1 3.89Å; F1068-V1091 HydrophobicContact CB-CG2 4.18Å; F1068-S1096 CarbonylContact O-C 3.51Å; F1068-S1096 WeakPolarHBondContact O-CA 3.21Å; F1068-S1096 WeakPolarHBondContact O-CB 3.49Å; F1068-S1097 PolarHBondContact N-O 2.84Å; F1068-S1097 PolarHBondContact O-N 3.32Å; F1068-L1099 HydrophobicContact CD2-CD1 4.44Å; F1068-V1110 HydrophobicContact CE1-CG1 4.37Å; F1068-V1110 HydrophobicContact CE2-CG1 4.49Å; F1068-V1110 HydrophobicContact CE2-CG2 4.35Å; F1068-V1110 HydrophobicContact CZ-CB 4.47Å; F1068-V1110 HydrophobicContact CZ-CG1 3.75Å; F1068-V1110 HydrophobicContact CZ-CG2 3.98Å; F1068-I1164 HydrophobicContact CD1-CB 3.99Å; F1068-I1164 HydrophobicContact CD1-CG2 3.9Å; F1068-I1164 HydrophobicContact CD2-CB 4.5Å; F1068-I1164 HydrophobicContact CD2-CD1 3.94Å; F1068-I1164 HydrophobicContact CE1-CB 3.88Å; F1068-I1164 HydrophobicContact CE1-CD1 4.33Å; F1068-I1164 HydrophobicContact CE1-CG2 3.35Å; F1068-I1164 HydrophobicContact CE2-CB 4.4Å; F1068-I1164 HydrophobicContact CE2-CD1 3.43Å; F1068-I1164 VanDerWaalsContact CE2-CD1 3.43Å; F1068-I1164 HydrophobicContact CE2-CG2 4.45Å; F1068-I1164 HydrophobicContact CG-CB 4.3Å; F1068-I1164 HydrophobicContact CZ-CB 4.08Å; F1068-I1164 HydrophobicContact CZ-CD1 3.64Å; F1068-I1164 HydrophobicContact CZ-CG1 4.46Å; F1068-I1164 HydrophobicContact CZ-CG2 3.67Å |
| 1069 | V | 87.6 | Confident | 86.3 | Confident | 21 Ų | 21 | 24.6 Ų | 24.6 | 13% | 0.127 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.7 | -179 | -174 | 0 | 0 | 0 | 0 | 108.8 | M1071 E1163 I1164 E1165 L1166 | V1069-M1071 HydrophobicContact CG1-CG 4.26Å; V1069-M1071 HydrophobicContact CG1-SD 4.02Å; V1069-E1163 HydrophobicContact CG2-CB 4.46Å; V1069-I1164 PolarHBondContact N-O 2.84Å; V1069-E1165 HydrophobicContact CB-CB 4.48Å; V1069-E1165 HydrophobicContact CB-CG 3.99Å; V1069-E1165 HydrophobicContact CG1-CG 4.37Å; V1069-E1165 HydrophobicContact CG2-CG 4.38Å; V1069-E1165 CarbonylContact O-C 3.48Å; V1069-E1165 VanDerWaalsContact O-CA 3.31Å; V1069-E1165 WeakPolarHBondContact O-CA 3.43Å; V1069-L1166 PolarHBondContact O-N 3.35Å |
| 1070 | N | 90.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 103.2 | -179.3 | 179.7 | 13.9 | 0 | 0 | 0 | 110.4 | L1072 Y1074 A1076 V1091 P1092 G1094 R1095 | N1070-L1072 VanDerWaalsContact C-N 3.3Å; N1070-L1072 WeakPolarHBondContact OD1-CB 3.31Å; N1070-L1072 PolarHBondContact OD1-N 3.47Å; N1070-Y1074 PolarHBondContact ND2-O 2.77Å; N1070-A1076 PolarHBondContact ND2-N 2.65Å; N1070-V1091 HydrophobicContact CB-CB 4.22Å; N1070-V1091 HydrophobicContact CB-CG1 3.7Å; N1070-V1091 PolarHBondContact ND2-O 2.87Å; N1070-V1091 VanDerWaalsContact ND2-O 3.09Å; N1070-P1092 PolarHBondContact ND2-O 3.42Å; N1070-G1094 VanDerWaalsContact O-CA 3.22Å; N1070-G1094 WeakPolarHBondContact O-CA 3.43Å; N1070-G1094 PolarHBondContact O-N 3.46Å; N1070-R1095 PolarHBondContact N-O 3.14Å |
| 1071 | M | 87.1 | Confident | 85.2 | Confident | 28 Ų | 28 | 27.4 Ų | 27.4 | 14% | 0.138 | 14% | 0.138 | C | C | . | . | trans | -94.8 | 17.8 | 175.3 | -53.1 | -70.2 | -73.2 | 0 | 0 | 112.1 | V1069 L1166 R1167 P1275 R1277 | V1069-M1071 HydrophobicContact CG1-CG 4.26Å; V1069-M1071 HydrophobicContact CG1-SD 4.02Å; M1071-L1166 CarbonylContact C-O 3.36Å; M1071-L1166 VanDerWaalsContact CA-O 3.31Å; M1071-L1166 WeakPolarHBondContact CA-O 3.3Å; M1071-L1166 WeakPolarHBondContact CB-O 3.45Å; M1071-L1166 PolarHBondContact N-O 3.37Å; M1071-R1167 HydrophobicContact CB-CG 4.2Å; M1071-R1167 HydrophobicContact CG-CG 4.47Å; M1071-P1275 WeakPolarHBondContact CA-O 3.37Å; M1071-P1275 WeakPolarHBondContact CE-O 3.42Å; M1071-R1277 HydrophobicContact CE-CB 4.34Å | ||
| 1072 | L | 88.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -93.3 | 153.9 | 174.8 | -54.9 | 173.1 | 0 | 0 | 0 | 110.3 | N1070 Y1074 S1093 V1114 V1150 L1166 R1167 L1208 | N1070-L1072 VanDerWaalsContact C-N 3.3Å; N1070-L1072 WeakPolarHBondContact OD1-CB 3.31Å; N1070-L1072 PolarHBondContact OD1-N 3.47Å; L1072-Y1074 PolarHBondContact O-N 2.71Å; L1072-Y1074 VanDerWaalsContact O-N 3.12Å; L1072-S1093 VanDerWaalsContact O-CB 3.28Å; L1072-S1093 WeakPolarHBondContact O-CB 3.46Å; L1072-S1093 PolarHBondContact O-OG 3.4Å; L1072-V1114 HydrophobicContact CD1-CB 4.47Å; L1072-V1114 HydrophobicContact CD1-CG1 3.91Å; L1072-V1114 HydrophobicContact CD1-CG2 3.83Å; L1072-V1150 HydrophobicContact CD1-CG1 3.97Å; L1072-V1150 HydrophobicContact CD1-CG2 4.45Å; L1072-V1150 HydrophobicContact CD2-CG1 4.2Å; L1072-L1166 HydrophobicContact CD1-CB 3.97Å; L1072-L1166 HydrophobicContact CD1-CD1 4.48Å; L1072-L1166 HydrophobicContact CG-CB 4.1Å; L1072-R1167 VanDerWaalsContact CD2-C 3.49Å; L1072-L1208 HydrophobicContact CB-CD1 4.47Å; L1072-L1208 HydrophobicContact CD2-CD1 4.44Å; L1072-L1208 HydrophobicContact CD2-CD2 4.08Å |
| 1073 | P | 82.6 | Confident | 83 | Confident | 29 Ų | 29 | 33.1 Ų | 33.1 | 19% | 0.188 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -70.3 | -3.1 | 179.7 | 25.9 | -32.9 | 0 | 0 | 0 | 115.2 | S1093 V1171 P1206 L1208 | P1073-S1093 VanDerWaalsContact C-OG 3.29Å; P1073-S1093 WeakPolarHBondContact CA-OG 3.17Å; P1073-S1093 PolarHBondContact O-OG 2.79Å; P1073-V1171 HydrophobicContact CG-CG2 4.43Å; P1073-P1206 HydrophobicContact CB-CB 3.95Å; P1073-P1206 HydrophobicContact CB-CG 3.61Å; P1073-P1206 HydrophobicContact CG-CB 4.2Å; P1073-P1206 HydrophobicContact CG-CG 4.3Å; P1073-L1208 HydrophobicContact CG-CD1 4.33Å; P1073-L1208 HydrophobicContact CG-CD2 4.48Å; P1073-L1208 HydrophobicContact CG-CG 4.07Å |
| 1074 | Y | 87.4 | Confident | 82.1 | Confident | 47 Ų | 47 | 36.3 Ų | 36.3 | 18% | 0.184 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -118.7 | 154.2 | -177.8 | -64 | -86.8 | 0 | 0 | 0 | 111.6 | N1070 L1072 V1114 P1206 L1208 | N1070-Y1074 PolarHBondContact ND2-O 2.77Å; L1072-Y1074 PolarHBondContact O-N 2.71Å; L1072-Y1074 VanDerWaalsContact O-N 3.12Å; Y1074-V1114 HydrophobicContact CD2-CG1 4.44Å; Y1074-V1114 HydrophobicContact CG-CG1 4.38Å; Y1074-P1206 WeakPolarHBondContact CE2-O 3.49Å; Y1074-P1206 PolarHBondContact OH-O 2.8Å; Y1074-L1208 HydrophobicContact CD2-CD1 3.6Å; Y1074-L1208 HydrophobicContact CD2-CG 4.31Å; Y1074-L1208 HydrophobicContact CE2-CD1 3.87Å; Y1074-L1208 HydrophobicContact CE2-CG 4.15Å |
| 1075 | H | 89 | Confident | 81.3 | Confident | 119 Ų | 119 | 43.6 Ų | 43.6 | 55% | 0.551 | 23% | 0.232 | S | C | * | . | trans | -63.1 | 134.6 | 168.4 | -56.1 | -87.8 | 0 | 0 | 0 | 110.6 | P1092 G1115 | H1075-P1092 VanDerWaalsContact ND1-CA 3.27Å; H1075-P1092 WeakPolarHBondContact ND1-CA 3.4Å; H1075-P1092 WeakPolarHBondContact ND1-CB 3.47Å; H1075-G1115 PolarHBondContact O-N 2.98Å | ||
| 1076 | A | 89.6 | Confident | 81 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | N1070 T1090 V1091 I1112 T1113 V1114 L1166 | N1070-A1076 PolarHBondContact ND2-N 2.65Å; A1076-T1090 CarbonylContact O-C 3.55Å; A1076-T1090 WeakPolarHBondContact O-CA 3.38Å; A1076-V1091 PolarHBondContact N-O 2.73Å; A1076-V1091 PolarHBondContact O-N 2.95Å; A1076-I1112 HydrophobicContact CB-CG2 4.38Å; A1076-T1113 CarbonylContact C-O 3.48Å; A1076-T1113 WeakPolarHBondContact CA-O 3.4Å; A1076-V1114 HydrophobicContact CB-CG2 4.1Å; A1076-L1166 HydrophobicContact CB-CD1 4.07Å |
| 1077 | I | 90.4 | Very high | 80.6 | Confident | 65 Ų | 65 | 47.5 Ų | 47.5 | 33% | 0.333 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 114.8 | 169.8 | -57.2 | 168 | 0 | 0 | 0 | 107.4 | I1089 T1090 I1112 T1113 | I1077-I1089 CarbonylContact C-O 3.54Å; I1077-I1089 WeakPolarHBondContact CA-O 3.27Å; I1077-T1090 HydrophobicContact CG1-CG2 4.3Å; I1077-I1112 CarbonylContact O-C 3.5Å; I1077-I1112 WeakPolarHBondContact O-CA 2.99Å; I1077-T1113 PolarHBondContact N-O 2.74Å; I1077-T1113 PolarHBondContact O-N 2.95Å |
| 1078 | V | 87.2 | Confident | 80.5 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.5 | -177.5 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | F1068 S1088 I1089 V1091 V1110 F1111 I1112 | F1068-V1078 HydrophobicContact CD1-CG1 4.33Å; F1068-V1078 HydrophobicContact CD1-CG2 4.22Å; F1068-V1078 HydrophobicContact CD2-CG1 4.24Å; F1068-V1078 HydrophobicContact CE1-CG1 4.07Å; F1068-V1078 HydrophobicContact CE1-CG2 4.5Å; F1068-V1078 HydrophobicContact CE2-CG1 3.97Å; F1068-V1078 HydrophobicContact CG-CG1 4.41Å; F1068-V1078 HydrophobicContact CZ-CG1 3.89Å; V1078-S1088 CarbonylContact O-C 3.57Å; V1078-S1088 WeakPolarHBondContact O-CA 3.27Å; V1078-I1089 PolarHBondContact N-O 3.32Å; V1078-I1089 PolarHBondContact O-N 3.45Å; V1078-V1091 HydrophobicContact CG2-CG2 3.97Å; V1078-V1110 HydrophobicContact CG1-CG1 3.48Å; V1078-V1110 VanDerWaalsContact CG1-CG1 3.48Å; V1078-F1111 CarbonylContact C-O 3.46Å; V1078-F1111 WeakPolarHBondContact CA-O 2.97Å; V1078-I1112 HydrophobicContact CG2-CG1 4.49Å |
| 1079 | Q | 85.3 | Confident | 80.2 | Confident | 69 Ų | 69 | 51.2 Ų | 51.2 | 32% | 0.322 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 108.7 | 174.5 | -71.3 | 177.9 | -11.8 | 0 | 0 | 109.4 | T1086 Y1087 V1110 F1111 | Q1079-T1086 HydrophobicContact CB-CG2 4.36Å; Q1079-Y1087 CarbonylContact C-O 3.5Å; Q1079-Y1087 VanDerWaalsContact CA-O 3.27Å; Q1079-Y1087 WeakPolarHBondContact CA-O 3.33Å; Q1079-V1110 WeakPolarHBondContact O-CA 3.34Å; Q1079-F1111 HydrophobicContact CB-CB 4.06Å; Q1079-F1111 PolarHBondContact N-O 3.22Å; Q1079-F1111 PolarHBondContact O-N 3.39Å |
| 1080 | C | 81 | Confident | 80.2 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.4 | 179.5 | -61.3 | 0 | 0 | 0 | 0 | 109.9 | T1086 Y1087 L1099 V1108 S1109 | C1080-T1086 CarbonylContact O-C 3.43Å; C1080-T1086 WeakPolarHBondContact O-CA 3.48Å; C1080-Y1087 PolarHBondContact N-O 3.27Å; C1080-Y1087 PolarHBondContact O-N 3.42Å; C1080-L1099 HydrophobicContact CB-CD1 4.35Å; C1080-V1108 HydrophobicContact CB-CG1 3.7Å; C1080-S1109 CarbonylContact C-O 3.59Å; C1080-S1109 WeakPolarHBondContact CA-O 3.45Å |
| 1081 | Q | 75.1 | Confident | 80.1 | Confident | 83 Ų | 83 | 54.4 Ų | 54.4 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 127.9 | 168.5 | -41.7 | -176.3 | -50.3 | 0 | 0 | 110.5 | R1085 T1086 S1109 | Q1081-R1085 CarbonylContact C-O 3.59Å; Q1081-R1085 VanDerWaalsContact CA-O 3.27Å; Q1081-R1085 WeakPolarHBondContact CA-O 3.42Å; Q1081-T1086 HydrophobicContact CG-CG2 3.94Å; Q1081-T1086 WeakPolarHBondContact CG-OG1 3.47Å; Q1081-T1086 PolarHBondContact NE2-OG1 2.92Å; Q1081-S1109 VanDerWaalsContact CB-OG 3.31Å; Q1081-S1109 WeakPolarHBondContact CB-OG 3.3Å; Q1081-S1109 PolarHBondContact N-O 3.06Å; Q1081-S1109 PolarHBondContact O-N 3.44Å; Q1081-S1109 PolarHBondContact O-OG 3.21Å |
| 1082 | C | 66.9 | Low | 80.1 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 130.3 | 176 | -57.4 | 0 | 0 | 0 | 0 | 108.8 | G1084 R1085 | C1082-G1084 VanDerWaalsContact C-N 3.27Å; C1082-G1084 PolarHBondContact O-N 3.4Å; C1082-R1085 PolarHBondContact N-O 3.44Å; C1082-R1085 PolarHBondContact O-N 3.15Å |
| 1083 | N | 63.2 | Low | 79.9 | Confident | 122 Ų | 122 | 57.4 Ų | 57.4 | 65% | 0.652 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 44.5 | 177.6 | -57.8 | -9.1 | 0 | 0 | 0 | 113.9 | R1085 T1103 | N1083-R1085 VanDerWaalsContact C-N 3.3Å; N1083-R1085 PolarHBondContact O-N 2.77Å; N1083-T1103 PolarHBondContact ND2-O 3.41Å |
| 1084 | G | 62.6 | Low | 79.9 | Confident | 83 Ų | 83 | 57.3 Ų | 57.3 | 86% | 0.856 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 5.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | C1082 | C1082-G1084 VanDerWaalsContact C-N 3.27Å; C1082-G1084 PolarHBondContact O-N 3.4Å |
| 1085 | R | 65.4 | Low | 79.8 | Confident | 156 Ų | 156 | 63.5 Ų | 63.5 | 59% | 0.589 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 136.3 | 176.4 | -67.6 | -176.9 | 175.5 | 174.6 | -0.5 | 111.4 | Q1081 C1082 N1083 Y1087 | Q1081-R1085 CarbonylContact C-O 3.59Å; Q1081-R1085 VanDerWaalsContact CA-O 3.27Å; Q1081-R1085 WeakPolarHBondContact CA-O 3.42Å; C1082-R1085 PolarHBondContact N-O 3.44Å; C1082-R1085 PolarHBondContact O-N 3.15Å; N1083-R1085 VanDerWaalsContact C-N 3.3Å; N1083-R1085 PolarHBondContact O-N 2.77Å; R1085-Y1087 HydrophobicContact CB-CE2 4.24Å |
| 1086 | T | 70.3 | Confident | 79.5 | Confident | 77 Ų | 77 | 60.9 Ų | 60.9 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.2 | 179.5 | -49.7 | 0 | 0 | 0 | 0 | 110.7 | Q1079 C1080 Q1081 | Q1079-T1086 HydrophobicContact CB-CG2 4.36Å; C1080-T1086 CarbonylContact O-C 3.43Å; C1080-T1086 WeakPolarHBondContact O-CA 3.48Å; Q1081-T1086 HydrophobicContact CG-CG2 3.94Å; Q1081-T1086 WeakPolarHBondContact CG-OG1 3.47Å; Q1081-T1086 PolarHBondContact NE2-OG1 2.92Å |
| 1087 | Y | 71.9 | Confident | 79.2 | Confident | 52 Ų | 52 | 62 Ų | 62 | 20% | 0.204 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.6 | 175.5 | -60 | -81.3 | 0 | 0 | 0 | 109.1 | Q1079 C1080 R1085 S1101 | Q1079-Y1087 CarbonylContact C-O 3.5Å; Q1079-Y1087 VanDerWaalsContact CA-O 3.27Å; Q1079-Y1087 WeakPolarHBondContact CA-O 3.33Å; C1080-Y1087 PolarHBondContact N-O 3.27Å; C1080-Y1087 PolarHBondContact O-N 3.42Å; R1085-Y1087 HydrophobicContact CB-CE2 4.24Å; Y1087-S1101 VanDerWaalsContact CE1-OG 3.29Å; Y1087-S1101 WeakPolarHBondContact CE1-OG 3.4Å; Y1087-S1101 WeakPolarHBondContact CE2-OG 3.38Å; Y1087-S1101 VanDerWaalsContact CZ-OG 3.25Å |
| 1088 | S | 81.3 | Confident | 78.6 | Confident | 76 Ų | 76 | 60 Ų | 60 | 53% | 0.531 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.1 | 176.5 | -169.2 | 0 | 0 | 0 | 0 | 109.7 | V1078 | V1078-S1088 CarbonylContact O-C 3.57Å; V1078-S1088 WeakPolarHBondContact O-CA 3.27Å |
| 1089 | I | 81.5 | Confident | 78 | Confident | 35 Ų | 35 | 60.4 Ų | 60.4 | 18% | 0.179 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136.2 | -176.6 | -57.1 | 175.2 | 0 | 0 | 0 | 108.3 | I1077 V1078 V1091 S1097 L1099 | I1077-I1089 CarbonylContact C-O 3.54Å; I1077-I1089 WeakPolarHBondContact CA-O 3.27Å; V1078-I1089 PolarHBondContact N-O 3.32Å; V1078-I1089 PolarHBondContact O-N 3.45Å; I1089-V1091 HydrophobicContact CG2-CG2 4.19Å; I1089-S1097 WeakPolarHBondContact CG2-OG 3.13Å; I1089-L1099 HydrophobicContact CD1-CD1 3.66Å |
| 1090 | T | 86.6 | Confident | 77.1 | Confident | 86 Ų | 86 | 59 Ų | 59 | 53% | 0.528 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.4 | 173 | -53.9 | 0 | 0 | 0 | 0 | 109.3 | A1076 I1077 | A1076-T1090 CarbonylContact O-C 3.55Å; A1076-T1090 WeakPolarHBondContact O-CA 3.38Å; I1077-T1090 HydrophobicContact CG1-CG2 4.3Å |
| 1091 | V | 88.1 | Confident | 76.2 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 110.5 | -179.1 | -166.7 | 0 | 0 | 0 | 0 | 109.3 | F1068 N1070 A1076 V1078 I1089 R1095 | F1068-V1091 HydrophobicContact CB-CG2 4.18Å; N1070-V1091 HydrophobicContact CB-CB 4.22Å; N1070-V1091 HydrophobicContact CB-CG1 3.7Å; N1070-V1091 PolarHBondContact ND2-O 2.87Å; N1070-V1091 VanDerWaalsContact ND2-O 3.09Å; A1076-V1091 PolarHBondContact N-O 2.73Å; A1076-V1091 PolarHBondContact O-N 2.95Å; V1078-V1091 HydrophobicContact CG2-CG2 3.97Å; I1089-V1091 HydrophobicContact CG2-CG2 4.19Å; V1091-R1095 WeakPolarHBondContact CG1-O 3.05Å |
| 1092 | P | 87.4 | Confident | 75.3 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | trans | -62.7 | 155.2 | 179.5 | -20.9 | 31.8 | 0 | 0 | 0 | 113.6 | N1070 H1075 G1094 R1095 | N1070-P1092 PolarHBondContact ND2-O 3.42Å; H1075-P1092 VanDerWaalsContact ND1-CA 3.27Å; H1075-P1092 WeakPolarHBondContact ND1-CA 3.4Å; H1075-P1092 WeakPolarHBondContact ND1-CB 3.47Å; P1092-G1094 PolarHBondContact O-N 3.08Å; P1092-R1095 HydrophobicContact CB-CB 3.97Å; P1092-R1095 HydrophobicContact CB-CG 4Å; P1092-R1095 HydrophobicContact CG-CB 4.32Å; P1092-R1095 PolarHBondContact O-N 3.04Å; P1092-R1095 VanDerWaalsContact O-N 3.11Å | ||
| 1093 | S | 85.2 | Confident | 74.7 | Confident | 41 Ų | 41 | 60.3 Ų | 60.3 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 133.8 | 174.2 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | L1072 P1073 R1095 | L1072-S1093 VanDerWaalsContact O-CB 3.28Å; L1072-S1093 WeakPolarHBondContact O-CB 3.46Å; L1072-S1093 PolarHBondContact O-OG 3.4Å; P1073-S1093 VanDerWaalsContact C-OG 3.29Å; P1073-S1093 WeakPolarHBondContact CA-OG 3.17Å; P1073-S1093 PolarHBondContact O-OG 2.79Å; S1093-R1095 PolarHBondContact O-N 3.28Å |
| 1094 | G | 81.5 | Confident | 74.2 | Confident | 27 Ų | 27 | 57.2 Ų | 57.2 | 28% | 0.278 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 9.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1070 P1092 | N1070-G1094 VanDerWaalsContact O-CA 3.22Å; N1070-G1094 WeakPolarHBondContact O-CA 3.43Å; N1070-G1094 PolarHBondContact O-N 3.46Å; P1092-G1094 PolarHBondContact O-N 3.08Å |
| 1095 | R | 85.8 | Confident | 73.7 | Confident | 177 Ų | 177 | 57.5 Ų | 57.5 | 67% | 0.668 | 34% | 0.343 | S | S | * | . | trans | -119.2 | 169.2 | -178.7 | -65.1 | -67.3 | -170.2 | 157.6 | 1 | 110.7 | N1070 V1091 P1092 S1093 | N1070-R1095 PolarHBondContact N-O 3.14Å; V1091-R1095 WeakPolarHBondContact CG1-O 3.05Å; P1092-R1095 HydrophobicContact CB-CB 3.97Å; P1092-R1095 HydrophobicContact CB-CG 4Å; P1092-R1095 HydrophobicContact CG-CB 4.32Å; P1092-R1095 PolarHBondContact O-N 3.04Å; P1092-R1095 VanDerWaalsContact O-N 3.11Å; S1093-R1095 PolarHBondContact O-N 3.28Å | ||
| 1096 | S | 83.4 | Confident | 73.6 | Confident | 63 Ų | 63 | 50.5 Ų | 50.5 | 44% | 0.441 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 155.1 | 175.2 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | F1068 | F1068-S1096 CarbonylContact O-C 3.51Å; F1068-S1096 WeakPolarHBondContact O-CA 3.21Å; F1068-S1096 WeakPolarHBondContact O-CB 3.49Å |
| 1097 | S | 82.5 | Confident | 73.8 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.2 | 172.8 | -171.8 | 0 | 0 | 0 | 0 | 110.6 | F1068 I1089 | F1068-S1097 PolarHBondContact N-O 2.84Å; F1068-S1097 PolarHBondContact O-N 3.32Å; I1089-S1097 WeakPolarHBondContact CG2-OG 3.13Å |
| 1098 | P | 78.9 | Confident | 74.1 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 15% | 0.149 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 149.6 | -178.9 | 30.1 | -34.3 | 0 | 0 | 0 | 113.2 | P954 P1064 A1066 L1067 L1100 | P954-P1098 HydrophobicContact CB-CG 4Å; P954-P1098 HydrophobicContact CG-CG 3.5Å; P954-P1098 VanDerWaalsContact CG-CG 3.5Å; P1064-P1098 HydrophobicContact CB-CB 3.4Å; P1064-P1098 HydrophobicContact CG-CB 3.77Å; A1066-P1098 WeakPolarHBondContact O-CA 3.45Å; L1067-P1098 HydrophobicContact CD2-CB 4.19Å; P1098-L1100 HydrophobicContact CB-CG 4.36Å; P1098-L1100 HydrophobicContact CG-CD1 4.43Å |
| 1099 | L | 74.7 | Confident | 74.2 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.052 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 98.5 | 174.9 | -155.1 | 87 | 0 | 0 | 0 | 109.2 | A1066 F1068 C1080 I1089 V1102 V1108 L1127 | A1066-L1099 HydrophobicContact CB-CB 4.2Å; A1066-L1099 PolarHBondContact O-N 3.36Å; F1068-L1099 HydrophobicContact CD2-CD1 4.44Å; C1080-L1099 HydrophobicContact CB-CD1 4.35Å; I1089-L1099 HydrophobicContact CD1-CD1 3.66Å; L1099-V1102 HydrophobicContact CD2-CG2 3.33Å; L1099-V1102 HydrophobicContact CG-CG2 3.96Å; L1099-V1108 HydrophobicContact CD2-CG2 4.4Å; L1099-L1127 HydrophobicContact CD2-CD1 4.39Å |
| 1100 | L | 66.5 | Low | 74.5 | Confident | 40 Ų | 40 | 44.8 Ų | 44.8 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | trans | -96.7 | -18.9 | -167.1 | -68.3 | 154.2 | 0 | 0 | 0 | 115 | L953 P954 F955 I1033 P1064 P1098 | L953-L1100 HydrophobicContact CD2-CD2 4.28Å; P954-L1100 HydrophobicContact CG-CD1 3.88Å; F955-L1100 HydrophobicContact CD1-CD1 4.29Å; F955-L1100 HydrophobicContact CE1-CD1 3.59Å; F955-L1100 HydrophobicContact CE1-CD2 4Å; F955-L1100 HydrophobicContact CE1-CG 4.42Å; F955-L1100 HydrophobicContact CZ-CD2 4.25Å; I1033-L1100 HydrophobicContact CG2-CD2 4.3Å; P1064-L1100 HydrophobicContact CB-CD2 4.49Å; P1098-L1100 HydrophobicContact CB-CG 4.36Å; P1098-L1100 HydrophobicContact CG-CD1 4.43Å | ||
| 1101 | S | 61 | Low | 74.6 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | trans | -109.1 | 27.5 | -165.1 | 60.8 | 0 | 0 | 0 | 0 | 114.9 | Y1087 | Y1087-S1101 VanDerWaalsContact CE1-OG 3.29Å; Y1087-S1101 WeakPolarHBondContact CE1-OG 3.4Å; Y1087-S1101 WeakPolarHBondContact CE2-OG 3.38Å; Y1087-S1101 VanDerWaalsContact CZ-OG 3.25Å | ||
| 1102 | V | 57.7 | Low | 74.7 | Confident | 28 Ų | 28 | 43 Ų | 43 | 17% | 0.17 | 27% | 0.269 | C | S | . | . | trans | -93.1 | 106.2 | 178.6 | -172.4 | 0 | 0 | 0 | 0 | 110 | L1099 V1108 L1127 | L1099-V1102 HydrophobicContact CD2-CG2 3.33Å; L1099-V1102 HydrophobicContact CG-CG2 3.96Å; V1102-V1108 HydrophobicContact CG1-CG2 4.24Å; V1102-V1108 HydrophobicContact CG2-CG2 4.21Å; V1102-L1127 HydrophobicContact CB-CD1 4.25Å; V1102-L1127 HydrophobicContact CG1-CD1 3.92Å; V1102-L1127 HydrophobicContact CG2-CD1 4.13Å | ||
| 1103 | T | 52.7 | Low | 74.9 | Confident | 62 Ų | 62 | 42.1 Ų | 42.1 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | trans | -109.8 | 114.4 | 173.3 | 56.1 | 0 | 0 | 0 | 0 | 108.7 | N1083 | N1083-T1103 PolarHBondContact ND2-O 3.41Š| ||
| 1104 | G | 52.8 | Low | 75.1 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 59% | 0.588 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 96.4 | 161.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | G1106 | G1104-G1106 PolarHBondContact O-N 3.41Š|
| 1105 | A | 52.9 | Low | 75.1 | Confident | 89 Ų | 89 | 41 Ų | 41 | 74% | 0.736 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 36.6 | -7.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | I1107 | A1105-I1107 PolarHBondContact O-N 3.05Š|
| 1106 | G | 63.2 | Low | 75 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 8% | 0.082 | 25% | 0.25 | C | S | . | . | S | Bend | trans | 74.8 | -16.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116 | G1104 L1127 | G1104-G1106 PolarHBondContact O-N 3.41Å; G1106-L1127 WeakPolarHBondContact O-CB 3.23Å; G1106-L1127 WeakPolarHBondContact O-CG 3.08Å; G1106-L1127 PolarHBondContact O-N 3.39Å |
| 1107 | I | 74.7 | Confident | 75.3 | Confident | 98 Ų | 98 | 35.5 Ų | 35.5 | 50% | 0.503 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 127.2 | -175.8 | -54.8 | 173.5 | 0 | 0 | 0 | 111.6 | A1105 L1124 V1125 | A1105-I1107 PolarHBondContact O-N 3.05Å; I1107-L1124 HydrophobicContact CG2-CB 4.25Å; I1107-L1124 HydrophobicContact CG2-CD2 4.02Å; I1107-V1125 WeakPolarHBondContact CA-O 3.09Å |
| 1108 | V | 76.9 | Confident | 75.7 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.3 | 179 | -177.9 | 0 | 0 | 0 | 0 | 110 | C1080 L1099 V1102 V1110 L1124 V1125 L1127 | C1080-V1108 HydrophobicContact CB-CG1 3.7Å; L1099-V1108 HydrophobicContact CD2-CG2 4.4Å; V1102-V1108 HydrophobicContact CG1-CG2 4.24Å; V1102-V1108 HydrophobicContact CG2-CG2 4.21Å; V1108-V1110 HydrophobicContact CG1-CG2 3.89Å; V1108-L1124 WeakPolarHBondContact O-CA 3.41Å; V1108-V1125 PolarHBondContact N-O 2.87Å; V1108-V1125 PolarHBondContact O-N 3.31Å; V1108-L1127 HydrophobicContact CG2-CD1 3.75Å; V1108-L1127 HydrophobicContact CG2-CG 4.11Å |
| 1109 | S | 84.2 | Confident | 76.3 | Confident | 21 Ų | 21 | 38.8 Ų | 38.8 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 126.3 | 171.6 | 65.4 | 0 | 0 | 0 | 0 | 110.7 | C1080 Q1081 F1123 | C1080-S1109 CarbonylContact C-O 3.59Å; C1080-S1109 WeakPolarHBondContact CA-O 3.45Å; Q1081-S1109 VanDerWaalsContact CB-OG 3.31Å; Q1081-S1109 WeakPolarHBondContact CB-OG 3.3Å; Q1081-S1109 PolarHBondContact N-O 3.06Å; Q1081-S1109 PolarHBondContact O-N 3.44Å; Q1081-S1109 PolarHBondContact O-OG 3.21Å; S1109-F1123 WeakPolarHBondContact CA-O 3.28Å |
| 1110 | V | 87.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.9 | -169.1 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | F1068 V1078 Q1079 V1108 I1112 P1122 F1123 V1125 | F1068-V1110 HydrophobicContact CE1-CG1 4.37Å; F1068-V1110 HydrophobicContact CE2-CG1 4.49Å; F1068-V1110 HydrophobicContact CE2-CG2 4.35Å; F1068-V1110 HydrophobicContact CZ-CB 4.47Å; F1068-V1110 HydrophobicContact CZ-CG1 3.75Å; F1068-V1110 HydrophobicContact CZ-CG2 3.98Å; V1078-V1110 HydrophobicContact CG1-CG1 3.48Å; V1078-V1110 VanDerWaalsContact CG1-CG1 3.48Å; Q1079-V1110 WeakPolarHBondContact O-CA 3.34Å; V1108-V1110 HydrophobicContact CG1-CG2 3.89Å; V1110-I1112 HydrophobicContact CG1-CD1 4.44Å; V1110-I1112 HydrophobicContact CG1-CG1 3.94Å; V1110-P1122 VanDerWaalsContact O-CA 3.28Å; V1110-P1122 WeakPolarHBondContact O-CA 2.97Å; V1110-F1123 HydrophobicContact CB-CD1 4.42Å; V1110-F1123 HydrophobicContact CB-CD2 4.35Å; V1110-F1123 HydrophobicContact CB-CE1 3.92Å; V1110-F1123 HydrophobicContact CB-CE2 3.86Å; V1110-F1123 HydrophobicContact CB-CZ 3.61Å; V1110-F1123 HydrophobicContact CG1-CE1 3.9Å; V1110-F1123 HydrophobicContact CG1-CE2 4.25Å; V1110-F1123 HydrophobicContact CG1-CZ 3.57Å; V1110-F1123 HydrophobicContact CG2-CE2 4.33Å; V1110-F1123 HydrophobicContact CG2-CZ 4.45Å; V1110-F1123 PolarHBondContact N-O 2.96Å; V1110-F1123 VanDerWaalsContact O-CD1 3.28Å; V1110-F1123 WeakPolarHBondContact O-CD1 3.03Å; V1110-F1123 WeakPolarHBondContact O-CE1 3.32Å; V1110-F1123 PolarHBondContact O-N 2.74Å; V1110-V1125 HydrophobicContact CG2-CG2 4.04Å |
| 1111 | F | 89.9 | Confident | 77.5 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 20% | 0.202 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 140.9 | 164.2 | -80.5 | -87.9 | 0 | 0 | 0 | 109.7 | V1078 Q1079 S1119 P1122 | V1078-F1111 CarbonylContact C-O 3.46Å; V1078-F1111 WeakPolarHBondContact CA-O 2.97Å; Q1079-F1111 HydrophobicContact CB-CB 4.06Å; Q1079-F1111 PolarHBondContact N-O 3.22Å; Q1079-F1111 PolarHBondContact O-N 3.39Å; F1111-S1119 WeakPolarHBondContact CD1-OG 3.46Å; F1111-P1122 HydrophobicContact CD2-CB 3.69Å; F1111-P1122 HydrophobicContact CD2-CG 4.28Å; F1111-P1122 HydrophobicContact CE1-CB 4.31Å; F1111-P1122 HydrophobicContact CE1-CG 4.3Å; F1111-P1122 HydrophobicContact CE2-CB 3.42Å; F1111-P1122 VanDerWaalsContact CE2-CB 3.42Å; F1111-P1122 HydrophobicContact CE2-CG 3.49Å; F1111-P1122 VanDerWaalsContact CE2-CG 3.49Å; F1111-P1122 HydrophobicContact CG-CB 4.26Å; F1111-P1122 HydrophobicContact CZ-CB 3.77Å; F1111-P1122 HydrophobicContact CZ-CG 3.52Å |
| 1112 | I | 90.5 | Very high | 78.6 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.2 | 179.3 | -58 | 175.4 | 0 | 0 | 0 | 109.8 | A1076 I1077 V1078 V1110 V1114 S1119 F1123 L1166 | A1076-I1112 HydrophobicContact CB-CG2 4.38Å; I1077-I1112 CarbonylContact O-C 3.5Å; I1077-I1112 WeakPolarHBondContact O-CA 2.99Å; V1078-I1112 HydrophobicContact CG2-CG1 4.49Å; V1110-I1112 HydrophobicContact CG1-CD1 4.44Å; V1110-I1112 HydrophobicContact CG1-CG1 3.94Å; I1112-V1114 HydrophobicContact CG2-CG2 3.51Å; I1112-S1119 PolarHBondContact N-OG 2.98Å; I1112-S1119 PolarHBondContact O-N 3.02Å; I1112-S1119 PolarHBondContact O-OG 2.75Å; I1112-F1123 HydrophobicContact CD1-CE1 3.51Å; I1112-F1123 HydrophobicContact CD1-CZ 3.48Å; I1112-F1123 VanDerWaalsContact CD1-CZ 3.48Å; I1112-F1123 HydrophobicContact CG1-CE1 3.81Å; I1112-F1123 HydrophobicContact CG1-CZ 4.08Å; I1112-L1166 HydrophobicContact CD1-CD1 3.88Å; I1112-L1166 HydrophobicContact CD1-CD2 3.43Å; I1112-L1166 VanDerWaalsContact CD1-CD2 3.43Å; I1112-L1166 HydrophobicContact CD1-CG 4.29Å; I1112-L1166 HydrophobicContact CG2-CD1 4.16Å |
| 1113 | T | 90.9 | Very high | 80 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 19% | 0.19 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 118.5 | 167.2 | -48.1 | 0 | 0 | 0 | 0 | 108.6 | A1076 I1077 F1117 K1118 | A1076-T1113 CarbonylContact C-O 3.48Å; A1076-T1113 WeakPolarHBondContact CA-O 3.4Å; I1077-T1113 PolarHBondContact N-O 2.74Å; I1077-T1113 PolarHBondContact O-N 2.95Å; T1113-F1117 CarbonylContact C-O 3.57Å; T1113-F1117 WeakPolarHBondContact CA-O 3.14Å; T1113-F1117 VanDerWaalsContact CG2-O 3.25Å; T1113-F1117 WeakPolarHBondContact CG2-O 3.08Å; T1113-K1118 HydrophobicContact CG2-CB 4.4Å |
| 1114 | V | 88.5 | Confident | 81.5 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 111.5 | 180 | -176 | 0 | 0 | 0 | 0 | 108.3 | L1072 Y1074 A1076 I1112 K1116 F1117 L1140 L1208 | L1072-V1114 HydrophobicContact CD1-CB 4.47Å; L1072-V1114 HydrophobicContact CD1-CG1 3.91Å; L1072-V1114 HydrophobicContact CD1-CG2 3.83Å; Y1074-V1114 HydrophobicContact CD2-CG1 4.44Å; Y1074-V1114 HydrophobicContact CG-CG1 4.38Å; A1076-V1114 HydrophobicContact CB-CG2 4.1Å; I1112-V1114 HydrophobicContact CG2-CG2 3.51Å; V1114-K1116 PolarHBondContact O-N 2.79Å; V1114-K1116 VanDerWaalsContact O-N 3.14Å; V1114-F1117 PolarHBondContact N-O 3.5Å; V1114-F1117 WeakPolarHBondContact O-CB 3.47Å; V1114-F1117 WeakPolarHBondContact O-CD2 3.09Å; V1114-F1117 PolarHBondContact O-N 2.87Å; V1114-L1140 HydrophobicContact CB-CD1 4.37Å; V1114-L1140 HydrophobicContact CG2-CD1 4.15Å; V1114-L1208 HydrophobicContact CG1-CD1 4.41Å |
| 1115 | G | 81.9 | Confident | 82.7 | Confident | 45 Ų | 45 | 51.5 Ų | 51.5 | 46% | 0.464 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -118.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1075 | H1075-G1115 PolarHBondContact O-N 2.98Š|
| 1116 | K | 83.1 | Confident | 83.9 | Confident | 116 Ų | 116 | 50.4 Ų | 50.4 | 50% | 0.504 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 3.3 | 176.8 | -62.7 | -178.1 | -174.9 | 172.3 | 0 | 113.9 | V1114 T1195 | V1114-K1116 PolarHBondContact O-N 2.79Å; V1114-K1116 VanDerWaalsContact O-N 3.14Å; K1116-T1195 HydrophobicContact CD-CG2 4.2Å |
| 1117 | F | 91.2 | Very high | 84.3 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 141.2 | -178.4 | -57.8 | -83.4 | 0 | 0 | 0 | 112 | T1113 V1114 L1140 I1141 D1142 L1148 A1192 | T1113-F1117 CarbonylContact C-O 3.57Å; T1113-F1117 WeakPolarHBondContact CA-O 3.14Å; T1113-F1117 VanDerWaalsContact CG2-O 3.25Å; T1113-F1117 WeakPolarHBondContact CG2-O 3.08Å; V1114-F1117 PolarHBondContact N-O 3.5Å; V1114-F1117 WeakPolarHBondContact O-CB 3.47Å; V1114-F1117 WeakPolarHBondContact O-CD2 3.09Å; V1114-F1117 PolarHBondContact O-N 2.87Å; F1117-L1140 HydrophobicContact CB-CB 3.95Å; F1117-L1140 HydrophobicContact CB-CD1 4.16Å; F1117-I1141 CarbonylContact C-O 3.53Å; F1117-I1141 VanDerWaalsContact CA-O 3.26Å; F1117-I1141 WeakPolarHBondContact CA-O 3.47Å; F1117-D1142 HydrophobicContact CD1-CB 3.81Å; F1117-D1142 HydrophobicContact CE1-CB 3.84Å; F1117-L1148 HydrophobicContact CD1-CB 4.17Å; F1117-L1148 HydrophobicContact CD1-CD2 4.03Å; F1117-L1148 HydrophobicContact CD2-CD2 4.04Å; F1117-L1148 HydrophobicContact CE1-CB 4.05Å; F1117-L1148 HydrophobicContact CE1-CD2 3.93Å; F1117-L1148 HydrophobicContact CE2-CD2 3.95Å; F1117-L1148 HydrophobicContact CG-CD2 4.07Å; F1117-L1148 HydrophobicContact CZ-CD2 3.87Å; F1117-A1192 HydrophobicContact CE1-CB 3.69Å; F1117-A1192 HydrophobicContact CZ-CB 4.4Å |
| 1118 | K | 91 | Very high | 84 | Confident | 114 Ų | 114 | 54 Ų | 54 | 50% | 0.496 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 140 | 177.6 | -172.1 | 178.2 | 179.2 | -176.2 | 0 | 111.3 | T1113 L1140 I1141 | T1113-K1118 HydrophobicContact CG2-CB 4.4Å; K1118-L1140 WeakPolarHBondContact O-CA 3.34Å; K1118-I1141 PolarHBondContact N-O 2.74Å; K1118-I1141 VanDerWaalsContact O-CG1 3.26Å; K1118-I1141 WeakPolarHBondContact O-CG1 3.46Å; K1118-I1141 PolarHBondContact O-N 2.74Å |
| 1119 | S | 89.6 | Confident | 83.3 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 131.6 | 173.7 | 60 | 0 | 0 | 0 | 0 | 111.5 | F1111 I1112 | F1111-S1119 WeakPolarHBondContact CD1-OG 3.46Å; I1112-S1119 PolarHBondContact N-OG 2.98Å; I1112-S1119 PolarHBondContact O-N 3.02Å; I1112-S1119 PolarHBondContact O-OG 2.75Å |
| 1120 | L | 81.5 | Confident | 82.1 | Confident | 105 Ų | 105 | 62.3 Ų | 62.3 | 55% | 0.55 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -62 | -44 | 179.3 | -86.6 | 157.3 | 0 | 0 | 0 | 113.4 | I1141 | L1120-I1141 HydrophobicContact CD1-CG2 3.71Å; L1120-I1141 HydrophobicContact CD2-CD1 3.7Å; L1120-I1141 HydrophobicContact CD2-CG1 4.32Å; L1120-I1141 HydrophobicContact CD2-CG2 4.33Å; L1120-I1141 HydrophobicContact CG-CD1 4Å; L1120-I1141 HydrophobicContact CG-CG1 4.07Å; L1120-I1141 HydrophobicContact CG-CG2 3.86Å |
| 1121 | R | 86.2 | Confident | 80.7 | Confident | 184 Ų | 184 | 68.1 Ų | 68.1 | 69% | 0.694 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -135.1 | 154.2 | -176.2 | 62.9 | 178.6 | 179.9 | 158.2 | -0.2 | 110.1 | ||
| 1122 | P | 84.3 | Confident | 79.3 | Confident | 55 Ų | 55 | 69.7 Ų | 69.7 | 36% | 0.357 | 37% | 0.371 | S | S | . | . | trans | -69.7 | 144.4 | 172.8 | 23.8 | -19.2 | 0 | 0 | 0 | 109.7 | V1110 F1111 | V1110-P1122 VanDerWaalsContact O-CA 3.28Å; V1110-P1122 WeakPolarHBondContact O-CA 2.97Å; F1111-P1122 HydrophobicContact CD2-CB 3.69Å; F1111-P1122 HydrophobicContact CD2-CG 4.28Å; F1111-P1122 HydrophobicContact CE1-CB 4.31Å; F1111-P1122 HydrophobicContact CE1-CG 4.3Å; F1111-P1122 HydrophobicContact CE2-CB 3.42Å; F1111-P1122 VanDerWaalsContact CE2-CB 3.42Å; F1111-P1122 HydrophobicContact CE2-CG 3.49Å; F1111-P1122 VanDerWaalsContact CE2-CG 3.49Å; F1111-P1122 HydrophobicContact CG-CB 4.26Å; F1111-P1122 HydrophobicContact CZ-CB 3.77Å; F1111-P1122 HydrophobicContact CZ-CG 3.52Å | ||
| 1123 | F | 85.9 | Confident | 78.3 | Confident | 24 Ų | 24 | 77.4 Ų | 77.4 | 11% | 0.105 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 151.3 | 167.6 | 63 | -86.6 | 0 | 0 | 0 | 109.8 | S1109 V1110 I1112 V1125 F1136 V1138 V1152 | S1109-F1123 WeakPolarHBondContact CA-O 3.28Å; V1110-F1123 HydrophobicContact CB-CD1 4.42Å; V1110-F1123 HydrophobicContact CB-CD2 4.35Å; V1110-F1123 HydrophobicContact CB-CE1 3.92Å; V1110-F1123 HydrophobicContact CB-CE2 3.86Å; V1110-F1123 HydrophobicContact CB-CZ 3.61Å; V1110-F1123 HydrophobicContact CG1-CE1 3.9Å; V1110-F1123 HydrophobicContact CG1-CE2 4.25Å; V1110-F1123 HydrophobicContact CG1-CZ 3.57Å; V1110-F1123 HydrophobicContact CG2-CE2 4.33Å; V1110-F1123 HydrophobicContact CG2-CZ 4.45Å; V1110-F1123 PolarHBondContact N-O 2.96Å; V1110-F1123 VanDerWaalsContact O-CD1 3.28Å; V1110-F1123 WeakPolarHBondContact O-CD1 3.03Å; V1110-F1123 WeakPolarHBondContact O-CE1 3.32Å; V1110-F1123 PolarHBondContact O-N 2.74Å; I1112-F1123 HydrophobicContact CD1-CE1 3.51Å; I1112-F1123 HydrophobicContact CD1-CZ 3.48Å; I1112-F1123 VanDerWaalsContact CD1-CZ 3.48Å; I1112-F1123 HydrophobicContact CG1-CE1 3.81Å; I1112-F1123 HydrophobicContact CG1-CZ 4.08Å; F1123-V1125 HydrophobicContact CD2-CG2 3.72Å; F1123-V1125 HydrophobicContact CE2-CG2 3.44Å; F1123-V1125 VanDerWaalsContact CE2-CG2 3.44Å; F1123-F1136 HydrophobicContact CB-CE2 4.29Å; F1123-F1136 AromaticContact CD2-CE2 3.6Å; F1123-F1136 HydrophobicContact CD2-CE2 3.6Å; F1123-F1136 AromaticContact CD2-CZ 3.67Å; F1123-F1136 HydrophobicContact CD2-CZ 3.67Å; F1123-F1136 HydrophobicContact CE2-CE2 4.14Å; F1123-F1136 HydrophobicContact CE2-CZ 4.02Å; F1123-F1136 HydrophobicContact CG-CE2 4.05Å; F1123-V1138 HydrophobicContact CD1-CG1 4.04Å; F1123-V1138 HydrophobicContact CD1-CG2 3.79Å; F1123-V1138 HydrophobicContact CE1-CG1 4.24Å; F1123-V1138 HydrophobicContact CE1-CG2 4.03Å; F1123-V1138 HydrophobicContact CG-CG2 4.09Å; F1123-V1152 HydrophobicContact CE2-CG1 4.37Å; F1123-V1152 HydrophobicContact CE2-CG2 4.39Å; F1123-V1152 HydrophobicContact CZ-CG2 4.25Å |
| 1124 | L | 84.3 | Confident | 77.7 | Confident | 124 Ų | 124 | 79.9 Ų | 79.9 | 65% | 0.649 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 132 | -177.9 | -64.1 | 172 | 0 | 0 | 0 | 109.9 | I1107 V1108 | I1107-L1124 HydrophobicContact CG2-CB 4.25Å; I1107-L1124 HydrophobicContact CG2-CD2 4.02Å; V1108-L1124 WeakPolarHBondContact O-CA 3.41Å |
| 1125 | V | 79.5 | Confident | 77.3 | Confident | 4 Ų | 4 | 83.6 Ų | 83.6 | 2% | 0.024 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 125 | 173.7 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | I1107 V1108 V1110 F1123 L1127 T1154 F1162 I1164 | I1107-V1125 WeakPolarHBondContact CA-O 3.09Å; V1108-V1125 PolarHBondContact N-O 2.87Å; V1108-V1125 PolarHBondContact O-N 3.31Å; V1110-V1125 HydrophobicContact CG2-CG2 4.04Å; F1123-V1125 HydrophobicContact CD2-CG2 3.72Å; F1123-V1125 HydrophobicContact CE2-CG2 3.44Å; F1123-V1125 VanDerWaalsContact CE2-CG2 3.44Å; V1125-L1127 HydrophobicContact CG1-CD2 4.44Å; V1125-T1154 HydrophobicContact CG1-CG2 4.21Å; V1125-F1162 HydrophobicContact CG1-CE1 3.8Å; V1125-F1162 HydrophobicContact CG1-CZ 4.32Å; V1125-I1164 HydrophobicContact CB-CD1 4.48Å; V1125-I1164 HydrophobicContact CG1-CD1 3.76Å; V1125-I1164 HydrophobicContact CG1-CG1 4.11Å |
| 1126 | N | 77.8 | Confident | 77.5 | Confident | 66 Ų | 66 | 84.1 Ų | 84.1 | 35% | 0.353 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 114.3 | 172.5 | -176.3 | 5.5 | 0 | 0 | 0 | 109.8 | Q1128 F1162 | N1126-Q1128 PolarHBondContact ND2-O 2.82Å; N1126-Q1128 PolarHBondContact O-N 2.67Å; N1126-Q1128 PolarHBondContact OD1-N 3.49Å; N1126-Q1128 PolarHBondContact OD1-O 2.93Å; N1126-F1162 VanDerWaalsContact O-CZ 3.31Å; N1126-F1162 WeakPolarHBondContact O-CZ 3.32Å |
| 1127 | L | 70.5 | Confident | 77.6 | Confident | 28 Ų | 28 | 81.3 Ų | 81.3 | 15% | 0.147 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -76.1 | -7.4 | 177.6 | -58.7 | 178.3 | 0 | 0 | 0 | 113.2 | A1066 L1099 V1102 G1106 V1108 V1125 F1162 I1164 | A1066-L1127 HydrophobicContact CB-CD2 3.97Å; L1099-L1127 HydrophobicContact CD2-CD1 4.39Å; V1102-L1127 HydrophobicContact CB-CD1 4.25Å; V1102-L1127 HydrophobicContact CG1-CD1 3.92Å; V1102-L1127 HydrophobicContact CG2-CD1 4.13Å; G1106-L1127 WeakPolarHBondContact O-CB 3.23Å; G1106-L1127 WeakPolarHBondContact O-CG 3.08Å; G1106-L1127 PolarHBondContact O-N 3.39Å; V1108-L1127 HydrophobicContact CG2-CD1 3.75Å; V1108-L1127 HydrophobicContact CG2-CG 4.11Å; V1125-L1127 HydrophobicContact CG1-CD2 4.44Å; L1127-F1162 HydrophobicContact CD2-CD1 3.42Å; L1127-F1162 VanDerWaalsContact CD2-CD1 3.42Å; L1127-F1162 HydrophobicContact CD2-CE1 3.74Å; L1127-F1162 HydrophobicContact CD2-CG 4.18Å; L1127-I1164 HydrophobicContact CD2-CD1 4.2Å |
| 1128 | Q | 69.7 | Low | 77.6 | Confident | 152 Ų | 152 | 81.2 Ų | 81.2 | 71% | 0.71 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -121.5 | 69.1 | 170.6 | -67.4 | -173.6 | -19.6 | 0 | 0 | 109.4 | N1126 | N1126-Q1128 PolarHBondContact ND2-O 2.82Å; N1126-Q1128 PolarHBondContact O-N 2.67Å; N1126-Q1128 PolarHBondContact OD1-N 3.49Å; N1126-Q1128 PolarHBondContact OD1-O 2.93Å |
| 1129 | P | 60.5 | Low | 77.6 | Confident | 49 Ų | 49 | 77.4 Ų | 77.4 | 32% | 0.318 | 41% | 0.413 | S | S | . | . | trans | -71.4 | 150.8 | -175.9 | 36.9 | -42.9 | 0 | 0 | 0 | 111.5 | E1131 F1162 | P1129-E1131 VanDerWaalsContact CB-O 3.31Å; P1129-E1131 WeakPolarHBondContact CB-O 3.45Å; P1129-E1131 WeakPolarHBondContact CG-O 3.46Å; P1129-F1162 HydrophobicContact CG-CE2 3.72Å | ||
| 1130 | T | 59.4 | Low | 77.7 | Confident | 149 Ų | 149 | 77.4 Ų | 77.4 | 91% | 0.914 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -75.3 | -28.5 | 164.9 | 38.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1131 | E | 57.7 | Low | 78.2 | Confident | 122 Ų | 122 | 73.9 Ų | 73.9 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -105.8 | 140.3 | 179.7 | -69.6 | 179 | 179.8 | 0 | 0 | 112.2 | P1129 K1133 | P1129-E1131 VanDerWaalsContact CB-O 3.31Å; P1129-E1131 WeakPolarHBondContact CB-O 3.45Å; P1129-E1131 WeakPolarHBondContact CG-O 3.46Å; E1131-K1133 VanDerWaalsContact C-N 3.34Å; E1131-K1133 PolarHBondContact O-N 2.87Å |
| 1132 | A | 61.7 | Low | 78.4 | Confident | 79 Ų | 79 | 65.6 Ų | 65.6 | 65% | 0.653 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -70 | -26 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1133 | K | 69.2 | Low | 78.5 | Confident | 168 Ų | 168 | 73.2 Ų | 73.2 | 73% | 0.73 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 124.2 | -179.9 | -69.6 | -179.1 | -176.6 | 167.1 | 0 | 111.5 | E1131 T1154 | E1131-K1133 VanDerWaalsContact C-N 3.34Å; E1131-K1133 PolarHBondContact O-N 2.87Å; K1133-T1154 WeakPolarHBondContact CA-O 3.4Å |
| 1134 | L | 78.4 | Confident | 78.5 | Confident | 83 Ų | 83 | 77.3 Ų | 77.3 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 142.9 | 174.7 | -172.8 | 73.8 | 0 | 0 | 0 | 109.6 | F1136 H1153 T1154 | L1134-F1136 HydrophobicContact CD2-CD1 3.93Å; L1134-F1136 HydrophobicContact CD2-CE1 4.08Å; L1134-F1136 HydrophobicContact CG-CD1 4.16Å; L1134-H1153 WeakPolarHBondContact O-CA 3.47Å; L1134-T1154 WeakPolarHBondContact CB-OG1 3.34Å; L1134-T1154 PolarHBondContact N-O 3.35Å; L1134-T1154 PolarHBondContact O-N 3.16Å |
| 1135 | T | 80.3 | Confident | 78.7 | Confident | 78 Ų | 78 | 77.2 Ų | 77.2 | 48% | 0.479 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 130.1 | 176 | -52.5 | 0 | 0 | 0 | 0 | 110.2 | V1152 H1153 | T1135-V1152 WeakPolarHBondContact CA-O 3.49Å; T1135-H1153 WeakPolarHBondContact CG2-CE1 3.24Å; T1135-H1153 VanDerWaalsContact CG2-ND1 3.29Å; T1135-H1153 WeakPolarHBondContact CG2-ND1 3.34Å; T1135-H1153 PolarHBondContact OG1-CE1 2.82Å; T1135-H1153 VanDerWaalsContact OG1-CE1 3.3Å; T1135-H1153 PolarHBondContact OG1-ND1 2.87Å |
| 1136 | F | 85.9 | Confident | 79.2 | Confident | 57 Ų | 57 | 77.9 Ų | 77.9 | 25% | 0.25 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 155.4 | 175.4 | 57.1 | -88.2 | 0 | 0 | 0 | 111.8 | F1123 L1134 V1138 N1151 V1152 | F1123-F1136 HydrophobicContact CB-CE2 4.29Å; F1123-F1136 AromaticContact CD2-CE2 3.6Å; F1123-F1136 HydrophobicContact CD2-CE2 3.6Å; F1123-F1136 AromaticContact CD2-CZ 3.67Å; F1123-F1136 HydrophobicContact CD2-CZ 3.67Å; F1123-F1136 HydrophobicContact CE2-CE2 4.14Å; F1123-F1136 HydrophobicContact CE2-CZ 4.02Å; F1123-F1136 HydrophobicContact CG-CE2 4.05Å; L1134-F1136 HydrophobicContact CD2-CD1 3.93Å; L1134-F1136 HydrophobicContact CD2-CE1 4.08Å; L1134-F1136 HydrophobicContact CG-CD1 4.16Å; F1136-V1138 HydrophobicContact CD2-CG2 4.01Å; F1136-V1138 HydrophobicContact CE2-CG2 3.77Å; F1136-N1151 WeakPolarHBondContact O-CA 3.13Å; F1136-V1152 HydrophobicContact CD2-CB 4.33Å; F1136-V1152 HydrophobicContact CE1-CB 4.23Å; F1136-V1152 HydrophobicContact CE1-CG1 4.24Å; F1136-V1152 HydrophobicContact CE2-CB 3.83Å; F1136-V1152 HydrophobicContact CE2-CG1 4.32Å; F1136-V1152 HydrophobicContact CE2-CG2 4.09Å; F1136-V1152 HydrophobicContact CZ-CB 3.78Å; F1136-V1152 HydrophobicContact CZ-CG1 3.8Å; F1136-V1152 HydrophobicContact CZ-CG2 4.41Å; F1136-V1152 PolarHBondContact N-O 3.39Å; F1136-V1152 VanDerWaalsContact N-O 3.08Å; F1136-V1152 PolarHBondContact O-N 2.76Å |
| 1137 | A | 86 | Confident | 79.8 | Confident | 56 Ų | 56 | 77.4 Ų | 77.4 | 46% | 0.463 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 135.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1150 | A1137-V1150 CarbonylContact C-O 3.45Å; A1137-V1150 WeakPolarHBondContact CA-O 3.41Å |
| 1138 | V | 89.8 | Confident | 80.8 | Confident | 6 Ų | 6 | 76.3 Ų | 76.3 | 4% | 0.036 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.5 | 176.2 | 176.8 | 0 | 0 | 0 | 0 | 109 | F1123 F1136 L1140 V1150 V1152 | F1123-V1138 HydrophobicContact CD1-CG1 4.04Å; F1123-V1138 HydrophobicContact CD1-CG2 3.79Å; F1123-V1138 HydrophobicContact CE1-CG1 4.24Å; F1123-V1138 HydrophobicContact CE1-CG2 4.03Å; F1123-V1138 HydrophobicContact CG-CG2 4.09Å; F1136-V1138 HydrophobicContact CD2-CG2 4.01Å; F1136-V1138 HydrophobicContact CE2-CG2 3.77Å; V1138-L1140 HydrophobicContact CG1-CD2 4.17Å; V1138-V1150 PolarHBondContact N-O 2.9Å; V1138-V1150 PolarHBondContact O-N 2.7Å; V1138-V1152 HydrophobicContact CB-CG2 4.36Å; V1138-V1152 HydrophobicContact CG2-CG2 3.5Å |
| 1139 | P | 91.2 | Very high | 81.8 | Confident | 33 Ų | 33 | 71 Ų | 71 | 21% | 0.214 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 124.5 | 176.5 | 29.7 | -32.3 | 0 | 0 | 0 | 111 | L1147 | P1139-L1147 HydrophobicContact CB-CD1 3.57Å |
| 1140 | L | 92.3 | Very high | 83.2 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 146.7 | 172.5 | -52.4 | 180 | 0 | 0 | 0 | 110 | V1114 F1117 K1118 V1138 L1148 V1150 | V1114-L1140 HydrophobicContact CB-CD1 4.37Å; V1114-L1140 HydrophobicContact CG2-CD1 4.15Å; F1117-L1140 HydrophobicContact CB-CB 3.95Å; F1117-L1140 HydrophobicContact CB-CD1 4.16Å; K1118-L1140 WeakPolarHBondContact O-CA 3.34Å; V1138-L1140 HydrophobicContact CG1-CD2 4.17Å; L1140-L1148 HydrophobicContact CB-CB 4.49Å; L1140-L1148 HydrophobicContact CD1-CD2 4.49Å; L1140-L1148 PolarHBondContact N-O 3.27Å; L1140-L1148 PolarHBondContact O-N 3.26Å; L1140-V1150 HydrophobicContact CD1-CB 4.24Å; L1140-V1150 HydrophobicContact CD1-CG2 3.57Å; L1140-V1150 HydrophobicContact CG-CG2 4.31Å |
| 1141 | I | 91.6 | Very high | 84.6 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 16% | 0.159 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.4 | 176.6 | 52.8 | 163.4 | 0 | 0 | 0 | 111.2 | F1117 K1118 L1120 R1146 L1147 | F1117-I1141 CarbonylContact C-O 3.53Å; F1117-I1141 VanDerWaalsContact CA-O 3.26Å; F1117-I1141 WeakPolarHBondContact CA-O 3.47Å; K1118-I1141 PolarHBondContact N-O 2.74Å; K1118-I1141 VanDerWaalsContact O-CG1 3.26Å; K1118-I1141 WeakPolarHBondContact O-CG1 3.46Å; K1118-I1141 PolarHBondContact O-N 2.74Å; L1120-I1141 HydrophobicContact CD1-CG2 3.71Å; L1120-I1141 HydrophobicContact CD2-CD1 3.7Å; L1120-I1141 HydrophobicContact CD2-CG1 4.32Å; L1120-I1141 HydrophobicContact CD2-CG2 4.33Å; L1120-I1141 HydrophobicContact CG-CD1 4Å; L1120-I1141 HydrophobicContact CG-CG1 4.07Å; L1120-I1141 HydrophobicContact CG-CG2 3.86Å; I1141-R1146 WeakPolarHBondContact CA-O 3.29Å; I1141-L1147 HydrophobicContact CG2-CD1 4.44Å |
| 1142 | D | 91.1 | Very high | 86 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | trans | -89.2 | -177.6 | 169.9 | 73.4 | 5 | 0 | 0 | 0 | 112.4 | F1117 L1144 Q1145 R1146 G1193 | F1117-D1142 HydrophobicContact CD1-CB 3.81Å; F1117-D1142 HydrophobicContact CE1-CB 3.84Å; D1142-L1144 PolarHBondContact O-N 2.81Å; D1142-L1144 VanDerWaalsContact OD1-C 3.32Å; D1142-L1144 WeakPolarHBondContact OD1-CA 3.35Å; D1142-L1144 PolarHBondContact OD1-N 2.81Å; D1142-Q1145 PolarHBondContact O-N 2.86Å; D1142-Q1145 VanDerWaalsContact O-N 3.16Å; D1142-Q1145 PolarHBondContact OD1-N 2.88Å; D1142-Q1145 VanDerWaalsContact OD1-N 3.14Å; D1142-R1146 PolarHBondContact N-O 2.83Å; D1142-R1146 VanDerWaalsContact N-O 3.15Å; D1142-R1146 PolarHBondContact OD1-N 3.15Å; D1142-R1146 IonicContact OD1-NE 2.96Å; D1142-R1146 IonicContact OD2-CZ 3.52Å; D1142-R1146 IonicContact OD2-NE 3.46Å; D1142-R1146 PolarHBondContact OD2-NE 2.98Å; D1142-R1146 IonicContact OD2-NH2 3.73Å; D1142-R1146 PolarHBondContact OD2-NH2 3.4Å; D1142-G1193 PolarHBondContact OD2-N 2.81Å; D1142-G1193 VanDerWaalsContact OD2-N 3.08Å | ||
| 1143 | R | 85.4 | Confident | 87.3 | Confident | 215 Ų | 215 | 55.5 Ų | 55.5 | 81% | 0.811 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -20.8 | 178.4 | -66.3 | -173.3 | -178.4 | 179.6 | -0.6 | 113.9 | ||
| 1144 | L | 86.7 | Confident | 88 | Confident | 110 Ų | 110 | 48 Ų | 48 | 58% | 0.576 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98 | 14.4 | 179.6 | -62.6 | 178.8 | 0 | 0 | 0 | 112.1 | D1142 R1146 | D1142-L1144 PolarHBondContact O-N 2.81Å; D1142-L1144 VanDerWaalsContact OD1-C 3.32Å; D1142-L1144 WeakPolarHBondContact OD1-CA 3.35Å; D1142-L1144 PolarHBondContact OD1-N 2.81Å; L1144-R1146 VanDerWaalsContact C-N 3.26Å; L1144-R1146 HydrophobicContact CB-CG 4.35Å; L1144-R1146 PolarHBondContact O-N 2.84Å |
| 1145 | Q | 87.8 | Confident | 88.2 | Confident | 123 Ų | 123 | 45.2 Ų | 45.2 | 58% | 0.575 | 23% | 0.229 | S | C | * | . | trans | 57.8 | 36.1 | -179 | -59 | -67.3 | -36 | 0 | 0 | 113 | D1142 | D1142-Q1145 PolarHBondContact O-N 2.86Å; D1142-Q1145 VanDerWaalsContact O-N 3.16Å; D1142-Q1145 PolarHBondContact OD1-N 2.88Å; D1142-Q1145 VanDerWaalsContact OD1-N 3.14Å | ||
| 1146 | R | 90.5 | Very high | 88 | Confident | 18 Ų | 18 | 45.1 Ų | 45.1 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | trans | -97.5 | 140.3 | 172.2 | -59.2 | 178.3 | -63.8 | -170.2 | -0.2 | 110.3 | I1141 D1142 L1144 K1189 E1190 A1191 A1192 Q1194 | I1141-R1146 WeakPolarHBondContact CA-O 3.29Å; D1142-R1146 PolarHBondContact N-O 2.83Å; D1142-R1146 VanDerWaalsContact N-O 3.15Å; D1142-R1146 PolarHBondContact OD1-N 3.15Å; D1142-R1146 IonicContact OD1-NE 2.96Å; D1142-R1146 IonicContact OD2-CZ 3.52Å; D1142-R1146 IonicContact OD2-NE 3.46Å; D1142-R1146 PolarHBondContact OD2-NE 2.98Å; D1142-R1146 IonicContact OD2-NH2 3.73Å; D1142-R1146 PolarHBondContact OD2-NH2 3.4Å; L1144-R1146 VanDerWaalsContact C-N 3.26Å; L1144-R1146 HydrophobicContact CB-CG 4.35Å; L1144-R1146 PolarHBondContact O-N 2.84Å; R1146-K1189 HydrophobicContact CG-CD 4.43Å; R1146-E1190 WeakPolarHBondContact CD-O 3.4Å; R1146-E1190 IonicContact NH1-OE2 3.5Å; R1146-A1191 PolarHBondContact NH1-O 2.79Å; R1146-A1192 HydrophobicContact CB-CB 3.67Å; R1146-Q1194 PolarHBondContact NH1-O 2.8Å; R1146-Q1194 VanDerWaalsContact NH1-O 3.1Å; R1146-Q1194 PolarHBondContact NH2-O 2.88Å | ||
| 1147 | L | 91.1 | Very high | 87.3 | Confident | 56 Ų | 56 | 43.8 Ų | 43.8 | 29% | 0.293 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 136.5 | -170.1 | -176.1 | 66.5 | 0 | 0 | 0 | 112.3 | P1139 I1141 H1149 | P1139-L1147 HydrophobicContact CB-CD1 3.57Å; I1141-L1147 HydrophobicContact CG2-CD1 4.44Å; L1147-H1149 WeakPolarHBondContact CD2-NE2 3.49Å |
| 1148 | L | 91.2 | Very high | 86.4 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129.3 | 171.2 | 178.8 | 76.9 | 0 | 0 | 0 | 109.4 | F1117 L1140 V1150 A1192 L1208 S1210 | F1117-L1148 HydrophobicContact CD1-CB 4.17Å; F1117-L1148 HydrophobicContact CD1-CD2 4.03Å; F1117-L1148 HydrophobicContact CD2-CD2 4.04Å; F1117-L1148 HydrophobicContact CE1-CB 4.05Å; F1117-L1148 HydrophobicContact CE1-CD2 3.93Å; F1117-L1148 HydrophobicContact CE2-CD2 3.95Å; F1117-L1148 HydrophobicContact CG-CD2 4.07Å; F1117-L1148 HydrophobicContact CZ-CD2 3.87Å; L1140-L1148 HydrophobicContact CB-CB 4.49Å; L1140-L1148 HydrophobicContact CD1-CD2 4.49Å; L1140-L1148 PolarHBondContact N-O 3.27Å; L1140-L1148 PolarHBondContact O-N 3.26Å; L1148-V1150 HydrophobicContact CD2-CG2 4.33Å; L1148-A1192 HydrophobicContact CB-CB 4.29Å; L1148-L1208 HydrophobicContact CD1-CB 4.33Å; L1148-L1208 HydrophobicContact CD2-CB 3.98Å; L1148-S1210 WeakPolarHBondContact CA-OG 3.45Å |
| 1149 | H | 89.7 | Confident | 85.2 | Confident | 42 Ų | 42 | 49.9 Ų | 49.9 | 19% | 0.194 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.2 | 175 | -71.6 | -71.3 | 0 | 0 | 0 | 111.7 | L1147 S1210 | L1147-H1149 WeakPolarHBondContact CD2-NE2 3.49Å; H1149-S1210 PolarHBondContact N-OG 3.49Å |
| 1150 | V | 89.4 | Confident | 84 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.9 | 174.1 | 169.9 | 0 | 0 | 0 | 0 | 109.2 | L1072 A1137 V1138 L1140 L1148 R1167 | L1072-V1150 HydrophobicContact CD1-CG1 3.97Å; L1072-V1150 HydrophobicContact CD1-CG2 4.45Å; L1072-V1150 HydrophobicContact CD2-CG1 4.2Å; A1137-V1150 CarbonylContact C-O 3.45Å; A1137-V1150 WeakPolarHBondContact CA-O 3.41Å; V1138-V1150 PolarHBondContact N-O 2.9Å; V1138-V1150 PolarHBondContact O-N 2.7Å; L1140-V1150 HydrophobicContact CD1-CB 4.24Å; L1140-V1150 HydrophobicContact CD1-CG2 3.57Å; L1140-V1150 HydrophobicContact CG-CG2 4.31Å; L1148-V1150 HydrophobicContact CD2-CG2 4.33Å; V1150-R1167 WeakPolarHBondContact CG1-O 3.34Å |
| 1151 | N | 88.6 | Confident | 83.3 | Confident | 28 Ų | 28 | 49.4 Ų | 49.4 | 15% | 0.15 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 139.6 | 177.5 | -65.8 | -19.6 | 0 | 0 | 0 | 111.2 | F1136 R1167 H1169 | F1136-N1151 WeakPolarHBondContact O-CA 3.13Å; N1151-R1167 PolarHBondContact N-O 2.86Å; N1151-R1167 PolarHBondContact O-N 2.85Å; N1151-H1169 PolarHBondContact ND2-CD2 3.48Å; N1151-H1169 PolarHBondContact ND2-NE2 3.44Å |
| 1152 | V | 89 | Confident | 82.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.3 | 170.8 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | F1123 T1135 F1136 V1138 T1154 I1164 E1165 L1166 | F1123-V1152 HydrophobicContact CE2-CG1 4.37Å; F1123-V1152 HydrophobicContact CE2-CG2 4.39Å; F1123-V1152 HydrophobicContact CZ-CG2 4.25Å; T1135-V1152 WeakPolarHBondContact CA-O 3.49Å; F1136-V1152 HydrophobicContact CD2-CB 4.33Å; F1136-V1152 HydrophobicContact CE1-CB 4.23Å; F1136-V1152 HydrophobicContact CE1-CG1 4.24Å; F1136-V1152 HydrophobicContact CE2-CB 3.83Å; F1136-V1152 HydrophobicContact CE2-CG1 4.32Å; F1136-V1152 HydrophobicContact CE2-CG2 4.09Å; F1136-V1152 HydrophobicContact CZ-CB 3.78Å; F1136-V1152 HydrophobicContact CZ-CG1 3.8Å; F1136-V1152 HydrophobicContact CZ-CG2 4.41Å; F1136-V1152 PolarHBondContact N-O 3.39Å; F1136-V1152 VanDerWaalsContact N-O 3.08Å; F1136-V1152 PolarHBondContact O-N 2.76Å; V1138-V1152 HydrophobicContact CB-CG2 4.36Å; V1138-V1152 HydrophobicContact CG2-CG2 3.5Å; V1152-T1154 HydrophobicContact CG1-CG2 4.5Å; V1152-I1164 HydrophobicContact CG1-CG2 3.7Å; V1152-E1165 CarbonylContact C-O 3.58Å; V1152-E1165 WeakPolarHBondContact CA-O 3.19Å; V1152-L1166 HydrophobicContact CG1-CD2 4.44Å; V1152-L1166 HydrophobicContact CG2-CD2 3.74Å |
| 1153 | H | 87.3 | Confident | 82.5 | Confident | 40 Ų | 40 | 50.4 Ų | 50.4 | 19% | 0.185 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 132.9 | 172.7 | -65 | -86.3 | 0 | 0 | 0 | 109.4 | L1134 T1135 E1165 R1167 | L1134-H1153 WeakPolarHBondContact O-CA 3.47Å; T1135-H1153 WeakPolarHBondContact CG2-CE1 3.24Å; T1135-H1153 VanDerWaalsContact CG2-ND1 3.29Å; T1135-H1153 WeakPolarHBondContact CG2-ND1 3.34Å; T1135-H1153 PolarHBondContact OG1-CE1 2.82Å; T1135-H1153 VanDerWaalsContact OG1-CE1 3.3Å; T1135-H1153 PolarHBondContact OG1-ND1 2.87Å; H1153-E1165 HydrophobicContact CB-CB 4.29Å; H1153-E1165 PolarHBondContact N-O 3.22Å; H1153-E1165 PolarHBondContact O-N 3.13Å; H1153-R1167 WeakPolarHBondContact CD2-CD 3.24Å |
| 1154 | T | 85.4 | Confident | 82.6 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 135.2 | 174.3 | 60 | 0 | 0 | 0 | 0 | 110.5 | V1125 K1133 L1134 V1152 F1162 E1163 I1164 | V1125-T1154 HydrophobicContact CG1-CG2 4.21Å; K1133-T1154 WeakPolarHBondContact CA-O 3.4Å; L1134-T1154 WeakPolarHBondContact CB-OG1 3.34Å; L1134-T1154 PolarHBondContact N-O 3.35Å; L1134-T1154 PolarHBondContact O-N 3.16Å; V1152-T1154 HydrophobicContact CG1-CG2 4.5Å; T1154-F1162 HydrophobicContact CG2-CE1 4.22Å; T1154-F1162 HydrophobicContact CG2-CZ 4.11Å; T1154-E1163 WeakPolarHBondContact CA-O 3.16Å; T1154-I1164 HydrophobicContact CG2-CG1 4.3Å; T1154-I1164 HydrophobicContact CG2-CG2 4.35Å |
| 1155 | S | 81.3 | Confident | 82.7 | Confident | 24 Ų | 24 | 36.3 Ų | 36.3 | 17% | 0.168 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 163.3 | 176.8 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | E1163 | S1155-E1163 PolarHBondContact N-O 2.89Å; S1155-E1163 PolarHBondContact O-N 3.46Å |
| 1156 | V | 76.2 | Confident | 82.8 | Confident | 76 Ų | 76 | 30.6 Ų | 30.6 | 46% | 0.461 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.6 | 172.7 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | F1162 | V1156-F1162 HydrophobicContact CG2-CD2 3.93Å; V1156-F1162 HydrophobicContact CG2-CE2 4.4Å |
| 1157 | S | 70.8 | Confident | 82.6 | Confident | 29 Ų | 29 | 33.3 Ų | 33.3 | 20% | 0.203 | 19% | 0.194 | C | C | . | . | trans | -70.1 | 161.3 | 176.4 | 64.4 | 0 | 0 | 0 | 0 | 112.2 | L1159 G1160 C1161 E1163 | S1157-L1159 PolarHBondContact O-N 3.46Å; S1157-G1160 WeakPolarHBondContact O-CA 3.44Å; S1157-G1160 PolarHBondContact O-N 3.02Å; S1157-C1161 WeakPolarHBondContact CB-O 3.49Å; S1157-C1161 PolarHBondContact N-O 3.06Å; S1157-C1161 WeakPolarHBondContact OG-CA 3.44Å; S1157-C1161 WeakPolarHBondContact OG-CB 3.37Å; S1157-C1161 PolarHBondContact OG-N 3.44Å; S1157-C1161 PolarHBondContact OG-O 3.5Å; S1157-E1163 WeakPolarHBondContact CB-OE1 3.47Å | ||
| 1158 | A | 66.9 | Low | 82.2 | Confident | 113 Ų | 113 | 30.9 Ų | 30.9 | 93% | 0.934 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -32.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1160 | A1158-G1160 PolarHBondContact O-N 3.35Š|
| 1159 | L | 65.9 | Low | 82 | Confident | 78 Ų | 78 | 34 Ų | 34 | 41% | 0.408 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -0.3 | 176 | -65.9 | 168.6 | 0 | 0 | 0 | 112.9 | L1063 S1157 | L1063-L1159 HydrophobicContact CD1-CB 3.87Å; L1063-L1159 HydrophobicContact CD1-CD1 4.17Å; L1063-L1159 HydrophobicContact CD1-CG 4.49Å; L1063-L1159 HydrophobicContact CD2-CD1 4.35Å; S1157-L1159 PolarHBondContact O-N 3.46Å |
| 1160 | G | 65.7 | Low | 82 | Confident | 22 Ų | 22 | 33.3 Ų | 33.3 | 23% | 0.227 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 88.9 | 8.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | R1019 S1157 A1158 | R1019-G1160 VanDerWaalsContact NH1-CA 3.28Å; S1157-G1160 WeakPolarHBondContact O-CA 3.44Å; S1157-G1160 PolarHBondContact O-N 3.02Å; A1158-G1160 PolarHBondContact O-N 3.35Å |
| 1161 | C | 77.3 | Confident | 82 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | trans | -78.8 | 133 | 171.7 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | P1064 L1067 S1157 | P1064-C1161 PolarHBondContact O-SG 2.83Å; P1064-C1161 VanDerWaalsContact O-SG 3.38Å; L1067-C1161 WeakPolarHBondContact CD1-SG 2.9Å; L1067-C1161 VanDerWaalsContact CG-SG 3.57Å; S1157-C1161 WeakPolarHBondContact CB-O 3.49Å; S1157-C1161 PolarHBondContact N-O 3.06Å; S1157-C1161 WeakPolarHBondContact OG-CA 3.44Å; S1157-C1161 WeakPolarHBondContact OG-CB 3.37Å; S1157-C1161 PolarHBondContact OG-N 3.44Å; S1157-C1161 PolarHBondContact OG-O 3.5Å | ||
| 1162 | F | 81 | Confident | 82.2 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 121.8 | 175.1 | -169.1 | -96.2 | 0 | 0 | 0 | 110.8 | V1065 A1066 L1067 V1125 N1126 L1127 P1129 T1154 V1156 I1164 | V1065-F1162 PolarHBondContact O-N 2.71Å; A1066-F1162 CarbonylContact C-O 3.36Å; A1066-F1162 WeakPolarHBondContact CA-O 3.3Å; A1066-F1162 HydrophobicContact CB-CB 4.07Å; L1067-F1162 PolarHBondContact N-O 2.78Å; V1125-F1162 HydrophobicContact CG1-CE1 3.8Å; V1125-F1162 HydrophobicContact CG1-CZ 4.32Å; N1126-F1162 VanDerWaalsContact O-CZ 3.31Å; N1126-F1162 WeakPolarHBondContact O-CZ 3.32Å; L1127-F1162 HydrophobicContact CD2-CD1 3.42Å; L1127-F1162 VanDerWaalsContact CD2-CD1 3.42Å; L1127-F1162 HydrophobicContact CD2-CE1 3.74Å; L1127-F1162 HydrophobicContact CD2-CG 4.18Å; P1129-F1162 HydrophobicContact CG-CE2 3.72Å; T1154-F1162 HydrophobicContact CG2-CE1 4.22Å; T1154-F1162 HydrophobicContact CG2-CZ 4.11Å; V1156-F1162 HydrophobicContact CG2-CD2 3.93Å; V1156-F1162 HydrophobicContact CG2-CE2 4.4Å; F1162-I1164 HydrophobicContact CD1-CD1 4.19Å; F1162-I1164 HydrophobicContact CD1-CG1 3.8Å; F1162-I1164 HydrophobicContact CE1-CD1 4.06Å; F1162-I1164 HydrophobicContact CE1-CG1 3.57Å |
| 1163 | E | 85.1 | Confident | 82.2 | Confident | 50 Ų | 50 | 33.5 Ų | 33.5 | 23% | 0.234 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.8 | -176.1 | -68.1 | 178.9 | 176.2 | 0 | 0 | 110.9 | L1067 V1069 T1154 S1155 S1157 | L1067-E1163 HydrophobicContact CB-CG 4.41Å; L1067-E1163 WeakPolarHBondContact O-CA 3.44Å; V1069-E1163 HydrophobicContact CG2-CB 4.46Å; T1154-E1163 WeakPolarHBondContact CA-O 3.16Å; S1155-E1163 PolarHBondContact N-O 2.89Å; S1155-E1163 PolarHBondContact O-N 3.46Å; S1157-E1163 WeakPolarHBondContact CB-OE1 3.47Å |
| 1164 | I | 87.7 | Confident | 82.3 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 102.5 | 176 | -55.4 | 162.6 | 0 | 0 | 0 | 107.6 | L1067 F1068 V1069 V1125 L1127 V1152 T1154 F1162 | L1067-I1164 PolarHBondContact O-N 3.28Å; F1068-I1164 HydrophobicContact CD1-CB 3.99Å; F1068-I1164 HydrophobicContact CD1-CG2 3.9Å; F1068-I1164 HydrophobicContact CD2-CB 4.5Å; F1068-I1164 HydrophobicContact CD2-CD1 3.94Å; F1068-I1164 HydrophobicContact CE1-CB 3.88Å; F1068-I1164 HydrophobicContact CE1-CD1 4.33Å; F1068-I1164 HydrophobicContact CE1-CG2 3.35Å; F1068-I1164 HydrophobicContact CE2-CB 4.4Å; F1068-I1164 HydrophobicContact CE2-CD1 3.43Å; F1068-I1164 VanDerWaalsContact CE2-CD1 3.43Å; F1068-I1164 HydrophobicContact CE2-CG2 4.45Å; F1068-I1164 HydrophobicContact CG-CB 4.3Å; F1068-I1164 HydrophobicContact CZ-CB 4.08Å; F1068-I1164 HydrophobicContact CZ-CD1 3.64Å; F1068-I1164 HydrophobicContact CZ-CG1 4.46Å; F1068-I1164 HydrophobicContact CZ-CG2 3.67Å; V1069-I1164 PolarHBondContact N-O 2.84Å; V1125-I1164 HydrophobicContact CB-CD1 4.48Å; V1125-I1164 HydrophobicContact CG1-CD1 3.76Å; V1125-I1164 HydrophobicContact CG1-CG1 4.11Å; L1127-I1164 HydrophobicContact CD2-CD1 4.2Å; V1152-I1164 HydrophobicContact CG1-CG2 3.7Å; T1154-I1164 HydrophobicContact CG2-CG1 4.3Å; T1154-I1164 HydrophobicContact CG2-CG2 4.35Å; F1162-I1164 HydrophobicContact CD1-CD1 4.19Å; F1162-I1164 HydrophobicContact CD1-CG1 3.8Å; F1162-I1164 HydrophobicContact CE1-CD1 4.06Å; F1162-I1164 HydrophobicContact CE1-CG1 3.57Å |
| 1165 | E | 88.6 | Confident | 82.4 | Confident | 28 Ų | 28 | 37.8 Ų | 37.8 | 13% | 0.131 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.7 | -176.4 | -59.5 | -172.1 | 171.7 | 0 | 0 | 112.6 | V1069 V1152 H1153 R1167 | V1069-E1165 HydrophobicContact CB-CB 4.48Å; V1069-E1165 HydrophobicContact CB-CG 3.99Å; V1069-E1165 HydrophobicContact CG1-CG 4.37Å; V1069-E1165 HydrophobicContact CG2-CG 4.38Å; V1069-E1165 CarbonylContact O-C 3.48Å; V1069-E1165 VanDerWaalsContact O-CA 3.31Å; V1069-E1165 WeakPolarHBondContact O-CA 3.43Å; V1152-E1165 CarbonylContact C-O 3.58Å; V1152-E1165 WeakPolarHBondContact CA-O 3.19Å; H1153-E1165 HydrophobicContact CB-CB 4.29Å; H1153-E1165 PolarHBondContact N-O 3.22Å; H1153-E1165 PolarHBondContact O-N 3.13Å; E1165-R1167 IonicContact OE2-CZ 3.2Å; E1165-R1167 IonicContact OE2-NE 3.66Å; E1165-R1167 PolarHBondContact OE2-NE 2.65Å; E1165-R1167 IonicContact OE2-NH2 3.01Å; E1165-R1167 PolarHBondContact OE2-NH2 2.73Å |
| 1166 | L | 89.9 | Confident | 82.6 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.4 | 171.1 | -55.1 | 179.7 | 0 | 0 | 0 | 110.6 | V1069 M1071 L1072 A1076 I1112 V1152 | V1069-L1166 PolarHBondContact O-N 3.35Å; M1071-L1166 CarbonylContact C-O 3.36Å; M1071-L1166 VanDerWaalsContact CA-O 3.31Å; M1071-L1166 WeakPolarHBondContact CA-O 3.3Å; M1071-L1166 WeakPolarHBondContact CB-O 3.45Å; M1071-L1166 PolarHBondContact N-O 3.37Å; L1072-L1166 HydrophobicContact CD1-CB 3.97Å; L1072-L1166 HydrophobicContact CD1-CD1 4.48Å; L1072-L1166 HydrophobicContact CG-CB 4.1Å; A1076-L1166 HydrophobicContact CB-CD1 4.07Å; I1112-L1166 HydrophobicContact CD1-CD1 3.88Å; I1112-L1166 HydrophobicContact CD1-CD2 3.43Å; I1112-L1166 VanDerWaalsContact CD1-CD2 3.43Å; I1112-L1166 HydrophobicContact CD1-CG 4.29Å; I1112-L1166 HydrophobicContact CG2-CD1 4.16Å; V1152-L1166 HydrophobicContact CG1-CD2 4.44Å; V1152-L1166 HydrophobicContact CG2-CD2 3.74Å |
| 1167 | R | 86.4 | Confident | 82.9 | Confident | 75 Ų | 75 | 38.1 Ų | 38.1 | 28% | 0.283 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 142.3 | -179.1 | -62 | -166.9 | -169.7 | 172.1 | -7.9 | 112.9 | M1071 L1072 V1150 N1151 H1153 E1165 | M1071-R1167 HydrophobicContact CB-CG 4.2Å; M1071-R1167 HydrophobicContact CG-CG 4.47Å; L1072-R1167 VanDerWaalsContact CD2-C 3.49Å; V1150-R1167 WeakPolarHBondContact CG1-O 3.34Å; N1151-R1167 PolarHBondContact N-O 2.86Å; N1151-R1167 PolarHBondContact O-N 2.85Å; H1153-R1167 WeakPolarHBondContact CD2-CD 3.24Å; E1165-R1167 IonicContact OE2-CZ 3.2Å; E1165-R1167 IonicContact OE2-NE 3.66Å; E1165-R1167 PolarHBondContact OE2-NE 2.65Å; E1165-R1167 IonicContact OE2-NH2 3.01Å; E1165-R1167 PolarHBondContact OE2-NH2 2.73Å |
| 1168 | G | 83.5 | Confident | 83.8 | Confident | 5 Ų | 5 | 37 Ų | 37 | 5% | 0.052 | 20% | 0.198 | C | C | . | . | trans | -94.2 | 166.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | C1279 | G1168-C1279 VanDerWaalsContact C-SG 3.57Å; G1168-C1279 PolarHBondContact O-SG 2.99Å | ||
| 1169 | H | 86.2 | Confident | 84.9 | Confident | 70 Ų | 70 | 31.7 Ų | 31.7 | 32% | 0.324 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -87.9 | -59.9 | 172.7 | -69.8 | 133.3 | 0 | 0 | 0 | 111.6 | N1151 L1280 | N1151-H1169 PolarHBondContact ND2-CD2 3.48Å; N1151-H1169 PolarHBondContact ND2-NE2 3.44Å; H1169-L1280 PolarHBondContact O-N 2.87Å |
| 1170 | F | 90.4 | Very high | 86.1 | Confident | 28 Ų | 28 | 28.3 Ų | 28.3 | 12% | 0.123 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143.3 | -175.6 | -53.7 | -78.6 | 0 | 0 | 0 | 110.3 | F1209 F1211 L1242 L1280 I1282 | F1170-F1209 HydrophobicContact CB-CB 4.14Å; F1170-F1209 HydrophobicContact CB-CD1 4.02Å; F1170-F1209 AromaticContact CD2-CD1 3.88Å; F1170-F1209 HydrophobicContact CD2-CD1 3.88Å; F1170-F1209 HydrophobicContact CD2-CE1 4.42Å; F1170-F1209 HydrophobicContact CG-CD1 4.22Å; F1170-F1209 PolarHBondContact N-O 2.93Å; F1170-F1209 PolarHBondContact O-N 2.95Å; F1170-F1211 HydrophobicContact CD2-CE2 4.36Å; F1170-F1211 AromaticContact CE2-CD2 3.73Å; F1170-F1211 HydrophobicContact CE2-CD2 3.73Å; F1170-F1211 AromaticContact CE2-CE2 3.49Å; F1170-F1211 HydrophobicContact CE2-CE2 3.49Å; F1170-F1211 VanDerWaalsContact CE2-CE2 3.49Å; F1170-F1211 HydrophobicContact CZ-CD2 4.35Å; F1170-F1211 AromaticContact CZ-CE2 3.74Å; F1170-F1211 HydrophobicContact CZ-CE2 3.74Å; F1170-L1242 HydrophobicContact CB-CD1 4.39Å; F1170-L1242 HydrophobicContact CD1-CB 4.1Å; F1170-L1242 HydrophobicContact CD1-CD1 3.88Å; F1170-L1242 HydrophobicContact CD2-CD1 4.08Å; F1170-L1242 HydrophobicContact CE1-CB 3.74Å; F1170-L1242 HydrophobicContact CE1-CD1 4.11Å; F1170-L1242 HydrophobicContact CE2-CD1 4.33Å; F1170-L1242 HydrophobicContact CG-CD1 3.85Å; F1170-L1242 HydrophobicContact CZ-CB 4.26Å; F1170-L1242 HydrophobicContact CZ-CD1 4.35Å; F1170-L1280 WeakPolarHBondContact CA-O 3.18Å; F1170-L1280 HydrophobicContact CD1-CB 3.82Å; F1170-L1280 HydrophobicContact CD1-CD1 4.12Å; F1170-L1280 HydrophobicContact CE1-CB 4.23Å; F1170-L1280 HydrophobicContact CE1-CD1 3.65Å; F1170-I1282 HydrophobicContact CB-CD1 3.78Å; F1170-I1282 HydrophobicContact CD1-CD1 3.88Å; F1170-I1282 HydrophobicContact CG-CD1 4.26Å |
| 1171 | V | 89.5 | Confident | 87.5 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.1 | 173.1 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | P1073 P1206 L1207 L1208 M1272 C1279 L1280 L1281 I1282 | P1073-V1171 HydrophobicContact CG-CG2 4.43Å; V1171-P1206 HydrophobicContact CG1-CB 3.51Å; V1171-L1207 CarbonylContact C-O 3.56Å; V1171-L1207 WeakPolarHBondContact CA-O 3.11Å; V1171-L1208 HydrophobicContact CG2-CD2 4.24Å; V1171-M1272 HydrophobicContact CB-CE 3.61Å; V1171-M1272 HydrophobicContact CG1-CE 4.02Å; V1171-M1272 HydrophobicContact CG2-CE 3.68Å; V1171-C1279 HydrophobicContact CG2-CB 4.21Å; V1171-L1280 PolarHBondContact N-O 3.38Å; V1171-L1281 HydrophobicContact CG1-CD1 4.39Å; V1171-I1282 PolarHBondContact O-N 2.73Å |
| 1172 | F | 91.2 | Very high | 88.3 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 2% | 0.022 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 132.5 | 173.9 | -69.7 | -48.9 | 0 | 0 | 0 | 110.4 | I1182 P1206 L1207 F1209 L1242 I1282 F1284 | F1172-I1182 HydrophobicContact CB-CD1 4.16Å; F1172-I1182 HydrophobicContact CD1-CD1 4.19Å; F1172-I1182 HydrophobicContact CD2-CD1 3.34Å; F1172-I1182 HydrophobicContact CD2-CG2 4.48Å; F1172-I1182 HydrophobicContact CE2-CB 4.39Å; F1172-I1182 HydrophobicContact CE2-CD1 3.66Å; F1172-I1182 HydrophobicContact CE2-CG2 3.73Å; F1172-I1182 HydrophobicContact CG-CD1 3.66Å; F1172-I1182 HydrophobicContact CZ-CD1 4.3Å; F1172-I1182 HydrophobicContact CZ-CG2 4.16Å; F1172-P1206 CarbonylContact O-C 3.56Å; F1172-P1206 WeakPolarHBondContact O-CA 3.01Å; F1172-L1207 HydrophobicContact CB-CB 4.22Å; F1172-L1207 HydrophobicContact CD2-CD2 4.33Å; F1172-L1207 PolarHBondContact N-O 2.98Å; F1172-L1207 PolarHBondContact O-N 2.76Å; F1172-F1209 HydrophobicContact CD2-CB 3.6Å; F1172-F1209 HydrophobicContact CD2-CD2 4.26Å; F1172-F1209 AromaticContact CD2-CG 3.98Å; F1172-F1209 HydrophobicContact CD2-CG 3.98Å; F1172-F1209 HydrophobicContact CE2-CB 3.41Å; F1172-F1209 VanDerWaalsContact CE2-CB 3.41Å; F1172-F1209 AromaticContact CE2-CD1 3.76Å; F1172-F1209 HydrophobicContact CE2-CD1 3.76Å; F1172-F1209 AromaticContact CE2-CD2 3.48Å; F1172-F1209 HydrophobicContact CE2-CD2 3.48Å; F1172-F1209 VanDerWaalsContact CE2-CD2 3.48Å; F1172-F1209 HydrophobicContact CE2-CE1 4.41Å; F1172-F1209 HydrophobicContact CE2-CE2 4.15Å; F1172-F1209 AromaticContact CE2-CG 3.25Å; F1172-F1209 HydrophobicContact CE2-CG 3.25Å; F1172-F1209 HydrophobicContact CZ-CB 4.19Å; F1172-F1209 AromaticContact CZ-CD1 3.88Å; F1172-F1209 HydrophobicContact CZ-CD1 3.88Å; F1172-F1209 HydrophobicContact CZ-CD2 4.33Å; F1172-F1209 HydrophobicContact CZ-CE1 4.36Å; F1172-F1209 AromaticContact CZ-CG 3.87Å; F1172-F1209 HydrophobicContact CZ-CG 3.87Å; F1172-L1242 HydrophobicContact CE1-CD1 4.28Å; F1172-L1242 HydrophobicContact CE1-CD2 3.87Å; F1172-L1242 HydrophobicContact CZ-CD1 3.86Å; F1172-L1242 HydrophobicContact CZ-CD2 4Å; F1172-I1282 CarbonylContact C-O 3.57Å; F1172-I1282 WeakPolarHBondContact CA-O 3.17Å; F1172-I1282 HydrophobicContact CD1-CB 3.47Å; F1172-I1282 VanDerWaalsContact CD1-CB 3.47Å; F1172-I1282 HydrophobicContact CD1-CD1 4.02Å; F1172-I1282 HydrophobicContact CD1-CG1 4.17Å; F1172-I1282 HydrophobicContact CD1-CG2 3.63Å; F1172-I1282 HydrophobicContact CE1-CB 3.64Å; F1172-I1282 HydrophobicContact CE1-CD1 3.73Å; F1172-I1282 HydrophobicContact CE1-CG1 3.89Å; F1172-I1282 HydrophobicContact CE1-CG2 3.64Å; F1172-F1284 HydrophobicContact CB-CE2 3.97Å; F1172-F1284 AromaticContact CD1-CE2 3.46Å; F1172-F1284 HydrophobicContact CD1-CE2 3.46Å; F1172-F1284 VanDerWaalsContact CD1-CE2 3.46Å; F1172-F1284 AromaticContact CD1-CZ 3.57Å; F1172-F1284 HydrophobicContact CD1-CZ 3.57Å; F1172-F1284 HydrophobicContact CE1-CE2 4.16Å; F1172-F1284 AromaticContact CE1-CZ 3.78Å; F1172-F1284 HydrophobicContact CE1-CZ 3.78Å; F1172-F1284 AromaticContact CG-CE2 3.81Å; F1172-F1284 HydrophobicContact CG-CE2 3.81Å; F1172-F1284 HydrophobicContact CG-CZ 4.27Å |
| 1173 | I | 89.7 | Confident | 88.8 | Confident | 30 Ų | 30 | 28.7 Ų | 28.7 | 15% | 0.154 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.7 | 167.9 | -62.7 | -175.2 | 0 | 0 | 0 | 107.7 | R1175 P1206 L1281 I1282 I1283 F1284 | I1173-R1175 HydrophobicContact CG2-CG 3.87Å; I1173-P1206 HydrophobicContact CG1-CB 4.35Å; I1173-L1281 HydrophobicContact CB-CD1 4.32Å; I1173-L1281 HydrophobicContact CD1-CD1 3.44Å; I1173-L1281 VanDerWaalsContact CD1-CD1 3.44Å; I1173-L1281 HydrophobicContact CD1-CD2 4.46Å; I1173-L1281 HydrophobicContact CG1-CD1 3.59Å; I1173-I1282 PolarHBondContact N-O 2.57Å; I1173-I1283 WeakPolarHBondContact O-CA 3.28Å; I1173-F1284 PolarHBondContact O-N 3.31Å |
| 1174 | N | 90.1 | Very high | 89.2 | Confident | 16 Ų | 16 | 26.4 Ų | 26.4 | 9% | 0.086 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 106.7 | 177 | 177.3 | 9.7 | 0 | 0 | 0 | 110.2 | T1176 L1178 I1180 E1204 | N1174-T1176 WeakPolarHBondContact OD1-CB 3.29Å; N1174-T1176 PolarHBondContact OD1-N 2.72Å; N1174-T1176 PolarHBondContact OD1-OG1 3.13Å; N1174-L1178 PolarHBondContact ND2-O 2.92Å; N1174-I1180 WeakPolarHBondContact OD1-CD1 3.16Å; N1174-E1204 WeakPolarHBondContact O-CA 3.39Å |
| 1175 | R | 86.8 | Confident | 89.3 | Confident | 124 Ų | 124 | 28.9 Ų | 28.9 | 47% | 0.468 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 30.5 | 172.7 | -58.1 | -172.2 | 176.5 | 172.2 | -1.1 | 111.8 | I1173 I1283 F1284 M1320 | I1173-R1175 HydrophobicContact CG2-CG 3.87Å; R1175-I1283 HydrophobicContact CG-CG2 4.13Å; R1175-F1284 CarbonylContact C-O 3.5Å; R1175-F1284 VanDerWaalsContact CA-O 3.29Å; R1175-F1284 WeakPolarHBondContact CA-O 3.34Å; R1175-F1284 WeakPolarHBondContact CB-O 3.41Å; R1175-F1284 PolarHBondContact N-O 3.09Å; R1175-M1320 WeakPolarHBondContact O-CE 3.47Å; R1175-M1320 VanDerWaalsContact O-SD 3.39Å |
| 1176 | T | 85 | Confident | 89.1 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -92.3 | -14.3 | 177.3 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | N1174 L1178 I1180 I1265 F1284 H1322 | N1174-T1176 WeakPolarHBondContact OD1-CB 3.29Å; N1174-T1176 PolarHBondContact OD1-N 2.72Å; N1174-T1176 PolarHBondContact OD1-OG1 3.13Å; T1176-L1178 PolarHBondContact O-N 3.19Å; T1176-L1178 WeakPolarHBondContact OG1-CB 3.43Å; T1176-L1178 PolarHBondContact OG1-N 2.91Å; T1176-L1178 VanDerWaalsContact OG1-N 3.12Å; T1176-I1180 HydrophobicContact CG2-CD1 3.69Å; T1176-I1180 VanDerWaalsContact OG1-CD1 3.31Å; T1176-I1180 WeakPolarHBondContact OG1-CD1 3.45Å; T1176-I1265 HydrophobicContact CG2-CD1 4.28Å; T1176-I1265 HydrophobicContact CG2-CG1 4.36Å; T1176-I1265 HydrophobicContact CG2-CG2 4Å; T1176-F1284 HydrophobicContact CG2-CB 3.79Å; T1176-H1322 PolarHBondContact O-CE1 3.42Å; T1176-H1322 PolarHBondContact O-NE2 3.32Å |
| 1177 | N | 83.6 | Confident | 89 | Confident | 107 Ų | 107 | 31.7 Ų | 31.7 | 57% | 0.572 | 17% | 0.165 | S | C | * | . | S | Bend | trans | 57.9 | 22.5 | -167.6 | -149.4 | 17.5 | 0 | 0 | 0 | 114.2 | M1320 | N1177-M1320 HydrophobicContact CB-SD 3.99Š|
| 1178 | L | 88.3 | Confident | 88.9 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -111.1 | 151 | 173.3 | -57.3 | 171.1 | 0 | 0 | 0 | 110.3 | N1174 T1176 I1180 A1202 I1224 F1228 Y1263 | N1174-L1178 PolarHBondContact ND2-O 2.92Å; T1176-L1178 PolarHBondContact O-N 3.19Å; T1176-L1178 WeakPolarHBondContact OG1-CB 3.43Å; T1176-L1178 PolarHBondContact OG1-N 2.91Å; T1176-L1178 VanDerWaalsContact OG1-N 3.12Å; L1178-I1180 HydrophobicContact CB-CG1 4.36Å; L1178-I1180 PolarHBondContact O-N 2.93Å; L1178-I1180 VanDerWaalsContact O-N 3.14Å; L1178-A1202 WeakPolarHBondContact O-CB 3.19Å; L1178-I1224 HydrophobicContact CD1-CD1 4.27Å; L1178-F1228 HydrophobicContact CD2-CE1 3.87Å; L1178-F1228 HydrophobicContact CD2-CZ 4.03Å; L1178-Y1263 HydrophobicContact CD1-CD1 3.47Å; L1178-Y1263 VanDerWaalsContact CD1-CD1 3.47Å; L1178-Y1263 HydrophobicContact CD1-CE1 4.11Å; L1178-Y1263 HydrophobicContact CD1-CG 3.71Å; L1178-Y1263 HydrophobicContact CD2-CD1 3.96Å; L1178-Y1263 HydrophobicContact CD2-CE1 3.71Å; L1178-Y1263 HydrophobicContact CG-CD1 4.37Å |
| 1179 | A | 91.3 | Very high | 89 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -70.9 | 102.6 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y1198 I1224 G1225 F1228 | A1179-Y1198 WeakPolarHBondContact CB-O 3.38Å; A1179-I1224 CarbonylContact O-C 3.35Å; A1179-I1224 VanDerWaalsContact O-CA 3.27Å; A1179-I1224 WeakPolarHBondContact O-CA 3.32Å; A1179-G1225 PolarHBondContact O-N 2.79Å; A1179-F1228 HydrophobicContact CB-CB 3.64Å; A1179-F1228 HydrophobicContact CB-CD2 3.52Å; A1179-F1228 HydrophobicContact CB-CE2 4.33Å; A1179-F1228 HydrophobicContact CB-CG 3.67Å | ||
| 1180 | I | 91.9 | Very high | 89.2 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129.8 | -179 | -61.5 | 177.1 | 0 | 0 | 0 | 110.1 | N1174 T1176 L1178 I1182 M1222 R1223 I1265 F1284 | N1174-I1180 WeakPolarHBondContact OD1-CD1 3.16Å; T1176-I1180 HydrophobicContact CG2-CD1 3.69Å; T1176-I1180 VanDerWaalsContact OG1-CD1 3.31Å; T1176-I1180 WeakPolarHBondContact OG1-CD1 3.45Å; L1178-I1180 HydrophobicContact CB-CG1 4.36Å; L1178-I1180 PolarHBondContact O-N 2.93Å; L1178-I1180 VanDerWaalsContact O-N 3.14Å; I1180-I1182 HydrophobicContact CG2-CG1 4.04Å; I1180-M1222 HydrophobicContact CG2-CB 3.95Å; I1180-M1222 HydrophobicContact CG2-SD 4.27Å; I1180-R1223 WeakPolarHBondContact CA-O 3.26Å; I1180-I1265 HydrophobicContact CD1-CD1 3.59Å; I1180-I1265 HydrophobicContact CG1-CD1 4.24Å; I1180-F1284 HydrophobicContact CD1-CB 4.19Å; I1180-F1284 HydrophobicContact CD1-CG 4.48Å |
| 1181 | I | 93.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.1 | 173.1 | -56.3 | -55.9 | 0 | 0 | 0 | 108.7 | E1190 E1199 M1222 R1223 W1236 | I1181-E1190 HydrophobicContact CG2-CG 4.22Å; I1181-E1190 WeakPolarHBondContact CG2-OE1 3.46Å; I1181-E1199 HydrophobicContact CD1-CG 4.28Å; I1181-M1222 CarbonylContact O-C 3.49Å; I1181-M1222 WeakPolarHBondContact O-CA 3.41Å; I1181-M1222 WeakPolarHBondContact O-CB 3.4Å; I1181-R1223 HydrophobicContact CB-CG 3.89Å; I1181-R1223 HydrophobicContact CG2-CG 4.36Å; I1181-R1223 PolarHBondContact N-O 3.08Å; I1181-R1223 PolarHBondContact O-N 3.38Å; I1181-W1236 HydrophobicContact CB-CH2 4.49Å; I1181-W1236 HydrophobicContact CG2-CH2 3.68Å; I1181-W1236 HydrophobicContact CG2-CZ2 4.46Å; I1181-W1236 HydrophobicContact CG2-CZ3 4.38Å |
| 1182 | I | 93.2 | Very high | 89.3 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 148.1 | -178 | -53.2 | 166.2 | 0 | 0 | 0 | 110.6 | F1172 I1180 A1191 Q1194 C1220 M1222 F1284 | F1172-I1182 HydrophobicContact CB-CD1 4.16Å; F1172-I1182 HydrophobicContact CD1-CD1 4.19Å; F1172-I1182 HydrophobicContact CD2-CD1 3.34Å; F1172-I1182 HydrophobicContact CD2-CG2 4.48Å; F1172-I1182 HydrophobicContact CE2-CB 4.39Å; F1172-I1182 HydrophobicContact CE2-CD1 3.66Å; F1172-I1182 HydrophobicContact CE2-CG2 3.73Å; F1172-I1182 HydrophobicContact CG-CD1 3.66Å; F1172-I1182 HydrophobicContact CZ-CD1 4.3Å; F1172-I1182 HydrophobicContact CZ-CG2 4.16Å; I1180-I1182 HydrophobicContact CG2-CG1 4.04Å; I1182-A1191 WeakPolarHBondContact O-CB 3.24Å; I1182-A1191 PolarHBondContact O-N 3.27Å; I1182-Q1194 VanDerWaalsContact N-NE2 3.11Å; I1182-Q1194 VanDerWaalsContact N-OE1 3.09Å; I1182-Q1194 PolarHBondContact O-NE2 2.93Å; I1182-Q1194 PolarHBondContact O-OE1 3.3Å; I1182-C1220 HydrophobicContact CG2-CB 4.27Å; I1182-M1222 HydrophobicContact CG1-CB 4.38Å; I1182-F1284 HydrophobicContact CD1-CD2 4.43Å; I1182-F1284 HydrophobicContact CD1-CE2 3.39Å; I1182-F1284 HydrophobicContact CD1-CZ 3.75Å; I1182-F1284 HydrophobicContact CG1-CE2 4.43Å |
| 1183 | K | 92.6 | Very high | 89.1 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 149 | -179.8 | 174 | 173.3 | 172.8 | 178.9 | 0 | 111.4 | V1187 D1188 C1220 C1221 W1236 | K1183-V1187 WeakPolarHBondContact CE-O 3.33Å; K1183-V1187 PolarHBondContact NZ-O 2.82Å; K1183-D1188 WeakPolarHBondContact CE-O 3.36Å; K1183-D1188 VanDerWaalsContact NZ-C 3.32Å; K1183-D1188 PolarHBondContact NZ-O 3.02Å; K1183-C1220 CarbonylContact O-C 3.41Å; K1183-C1220 WeakPolarHBondContact O-CA 3.16Å; K1183-C1221 PolarHBondContact N-O 3.35Å; K1183-C1221 PolarHBondContact O-N 3.14Å; K1183-W1236 HydrophobicContact CB-CE3 4.28Å; K1183-W1236 HydrophobicContact CB-CH2 3.34Å; K1183-W1236 HydrophobicContact CB-CZ2 4.05Å; K1183-W1236 HydrophobicContact CB-CZ3 3.48Å; K1183-W1236 VanDerWaalsContact CB-CZ3 3.48Å; K1183-W1236 HydrophobicContact CD-CH2 3.93Å; K1183-W1236 HydrophobicContact CD-CZ2 3.72Å; K1183-W1236 HydrophobicContact CG-CH2 4.27Å |
| 1184 | Q | 93.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 135.8 | 169.9 | 177.9 | 175.2 | 1.6 | 0 | 0 | 110.2 | G1186 V1187 F1211 S1212 D1213 P1217 | Q1184-G1186 PolarHBondContact O-N 3.02Å; Q1184-V1187 HydrophobicContact CB-CB 4.34Å; Q1184-V1187 HydrophobicContact CB-CG2 4.01Å; Q1184-V1187 HydrophobicContact CG-CG2 3.88Å; Q1184-V1187 PolarHBondContact O-N 2.92Å; Q1184-F1211 HydrophobicContact CB-CD1 4.36Å; Q1184-F1211 HydrophobicContact CG-CD1 3.82Å; Q1184-F1211 HydrophobicContact CG-CE1 4.44Å; Q1184-S1212 PolarHBondContact OE1-OG 2.76Å; Q1184-D1213 PolarHBondContact NE2-O 3.28Å; Q1184-P1217 PolarHBondContact NE2-O 3.28Å |
| 1185 | L | 89.7 | Confident | 88.8 | Confident | 53 Ų | 53 | 40.2 Ų | 40.2 | 28% | 0.277 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 132.3 | 175.4 | -178.1 | 68.2 | 0 | 0 | 0 | 110.7 | V1187 P1217 R1219 H1239 | L1185-V1187 VanDerWaalsContact C-N 3.31Å; L1185-V1187 PolarHBondContact O-N 3.15Å; L1185-P1217 HydrophobicContact CD2-CB 4.09Å; L1185-P1217 HydrophobicContact CD2-CG 4.43Å; L1185-R1219 HydrophobicContact CB-CB 4.28Å; L1185-R1219 HydrophobicContact CD2-CB 4.31Å; L1185-R1219 PolarHBondContact N-O 3.44Å; L1185-H1239 HydrophobicContact CD1-CB 4.43Å; L1185-H1239 HydrophobicContact CD2-CB 3.89Å; L1185-H1239 VanDerWaalsContact CD2-CD2 3.47Å; L1185-H1239 WeakPolarHBondContact CD2-CD2 3.47Å |
| 1186 | G | 84.3 | Confident | 88.7 | Confident | 66 Ų | 66 | 39.3 Ų | 39.3 | 68% | 0.68 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -8.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q1184 | Q1184-G1186 PolarHBondContact O-N 3.02Š|
| 1187 | V | 88.4 | Confident | 88.7 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | trans | -92.9 | 148.9 | 171.5 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | K1183 Q1184 L1185 K1189 D1213 A1216 | K1183-V1187 WeakPolarHBondContact CE-O 3.33Å; K1183-V1187 PolarHBondContact NZ-O 2.82Å; Q1184-V1187 HydrophobicContact CB-CB 4.34Å; Q1184-V1187 HydrophobicContact CB-CG2 4.01Å; Q1184-V1187 HydrophobicContact CG-CG2 3.88Å; Q1184-V1187 PolarHBondContact O-N 2.92Å; L1185-V1187 VanDerWaalsContact C-N 3.31Å; L1185-V1187 PolarHBondContact O-N 3.15Å; V1187-K1189 HydrophobicContact CG1-CB 4.44Å; V1187-D1213 HydrophobicContact CG2-CB 3.89Å; V1187-A1216 HydrophobicContact CG2-CB 4.08Å | ||
| 1188 | D | 83.1 | Confident | 88.9 | Confident | 153 Ų | 153 | 37 Ų | 37 | 82% | 0.818 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -83.3 | -33.4 | 178 | -74.2 | -30.6 | 0 | 0 | 0 | 113.3 | K1183 | K1183-D1188 WeakPolarHBondContact CE-O 3.36Å; K1183-D1188 VanDerWaalsContact NZ-C 3.32Å; K1183-D1188 PolarHBondContact NZ-O 3.02Å |
| 1189 | K | 87 | Confident | 88.9 | Confident | 128 Ų | 128 | 37.5 Ų | 37.5 | 56% | 0.557 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -80.8 | 147.9 | -178.4 | -61.3 | -178.8 | -179.6 | -179.9 | 0 | 111.8 | R1146 V1187 | R1146-K1189 HydrophobicContact CG-CD 4.43Å; V1187-K1189 HydrophobicContact CG1-CB 4.44Å |
| 1190 | E | 90 | Very high | 88.8 | Confident | 53 Ų | 53 | 42.7 Ų | 42.7 | 25% | 0.248 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 165.4 | 170.2 | -60.7 | -179.5 | 166.6 | 0 | 0 | 111.9 | R1146 I1181 R1223 W1236 | R1146-E1190 WeakPolarHBondContact CD-O 3.4Å; R1146-E1190 IonicContact NH1-OE2 3.5Å; I1181-E1190 HydrophobicContact CG2-CG 4.22Å; I1181-E1190 WeakPolarHBondContact CG2-OE1 3.46Å; E1190-R1223 IonicContact OE1-CZ 3.7Å; E1190-R1223 IonicContact OE1-NE 2.77Å; E1190-R1223 IonicContact OE1-NH2 2.73Å; E1190-R1223 PolarHBondContact OE1-NH2 2.8Å; E1190-W1236 HydrophobicContact CG-CH2 4.36Å; E1190-W1236 HydrophobicContact CG-CZ2 4.4Å |
| 1191 | A | 91 | Very high | 88.6 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 142.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | R1146 I1182 F1209 | R1146-A1191 PolarHBondContact NH1-O 2.79Å; I1182-A1191 WeakPolarHBondContact O-CB 3.24Å; I1182-A1191 PolarHBondContact O-N 3.27Å; A1191-F1209 HydrophobicContact CB-CD2 3.71Å; A1191-F1209 HydrophobicContact CB-CE2 3.73Å |
| 1192 | A | 90 | Very high | 88.1 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 7% | 0.066 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 146 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1117 R1146 L1148 | F1117-A1192 HydrophobicContact CE1-CB 3.69Å; F1117-A1192 HydrophobicContact CZ-CB 4.4Å; R1146-A1192 HydrophobicContact CB-CB 3.67Å; L1148-A1192 HydrophobicContact CB-CB 4.29Å |
| 1193 | G | 87.7 | Confident | 87.6 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -19.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | D1142 T1195 | D1142-G1193 PolarHBondContact OD2-N 2.81Å; D1142-G1193 VanDerWaalsContact OD2-N 3.08Å; G1193-T1195 PolarHBondContact O-N 2.99Å |
| 1194 | Q | 89.7 | Confident | 87.1 | Confident | 5 Ų | 5 | 55 Ų | 55 | 2% | 0.023 | 30% | 0.295 | C | S | . | . | trans | -75.8 | 103 | 175.2 | -72.2 | 169.8 | -151.4 | 0 | 0 | 110.6 | R1146 I1182 Y1198 L1207 | R1146-Q1194 PolarHBondContact NH1-O 2.8Å; R1146-Q1194 VanDerWaalsContact NH1-O 3.1Å; R1146-Q1194 PolarHBondContact NH2-O 2.88Å; I1182-Q1194 VanDerWaalsContact N-NE2 3.11Å; I1182-Q1194 VanDerWaalsContact N-OE1 3.09Å; I1182-Q1194 PolarHBondContact O-NE2 2.93Å; I1182-Q1194 PolarHBondContact O-OE1 3.3Å; Q1194-Y1198 HydrophobicContact CB-CG 4.4Å; Q1194-Y1198 HydrophobicContact CG-CD1 4.11Å; Q1194-Y1198 HydrophobicContact CG-CE1 4.48Å; Q1194-Y1198 HydrophobicContact CG-CG 4.35Å; Q1194-L1207 HydrophobicContact CG-CD2 3.84Å | ||
| 1195 | T | 84.7 | Confident | 86.7 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 26% | 0.258 | 32% | 0.321 | S | S | . | . | trans | -90 | 173.9 | 176.8 | 55.2 | 0 | 0 | 0 | 0 | 112 | K1116 G1193 A1197 Y1198 | K1116-T1195 HydrophobicContact CD-CG2 4.2Å; G1193-T1195 PolarHBondContact O-N 2.99Å; T1195-A1197 PolarHBondContact O-N 3.21Å; T1195-Y1198 WeakPolarHBondContact O-CB 3.49Å; T1195-Y1198 PolarHBondContact O-N 2.88Å | ||
| 1196 | D | 83.4 | Confident | 86.6 | Confident | 105 Ų | 105 | 60.1 Ų | 60.1 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -31 | 176.8 | -73.9 | -51 | 0 | 0 | 0 | 115.4 | Y1198 E1199 R1227 | D1196-Y1198 VanDerWaalsContact C-N 3.28Å; D1196-Y1198 PolarHBondContact O-N 3.23Å; D1196-E1199 WeakPolarHBondContact O-CB 3.39Å; D1196-E1199 PolarHBondContact O-N 3.25Å; D1196-E1199 VanDerWaalsContact O-N 3.12Å; D1196-R1227 VanDerWaalsContact CG-NH2 3.33Å; D1196-R1227 PolarHBondContact O-NH2 2.72Å; D1196-R1227 IonicContact OD1-CZ 3.1Å; D1196-R1227 IonicContact OD1-NH1 3.57Å; D1196-R1227 IonicContact OD1-NH2 2.71Å; D1196-R1227 PolarHBondContact OD1-NH2 3Å |
| 1197 | A | 85.5 | Confident | 86.9 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 24% | 0.24 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -28.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1195 E1199 E1200 R1201 | T1195-A1197 PolarHBondContact O-N 3.21Å; A1197-E1199 PolarHBondContact O-N 3.23Å; A1197-E1200 PolarHBondContact O-N 3.49Å; A1197-R1201 PolarHBondContact O-N 3.3Å |
| 1198 | Y | 87.7 | Confident | 87 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.9 | -19.3 | 175.8 | -83.4 | -109 | 0 | 0 | 0 | 112.2 | A1179 Q1194 T1195 D1196 H1203 L1207 | A1179-Y1198 WeakPolarHBondContact CB-O 3.38Å; Q1194-Y1198 HydrophobicContact CB-CG 4.4Å; Q1194-Y1198 HydrophobicContact CG-CD1 4.11Å; Q1194-Y1198 HydrophobicContact CG-CE1 4.48Å; Q1194-Y1198 HydrophobicContact CG-CG 4.35Å; T1195-Y1198 WeakPolarHBondContact O-CB 3.49Å; T1195-Y1198 PolarHBondContact O-N 2.88Å; D1196-Y1198 VanDerWaalsContact C-N 3.28Å; D1196-Y1198 PolarHBondContact O-N 3.23Å; Y1198-H1203 HydrophobicContact CD1-CB 4.24Å; Y1198-H1203 HydrophobicContact CE1-CB 3.81Å; Y1198-H1203 HydrophobicContact CE2-CB 4.41Å; Y1198-L1207 HydrophobicContact CE1-CD2 4.45Å |
| 1199 | E | 89.6 | Confident | 87.4 | Confident | 18 Ų | 18 | 49.4 Ų | 49.4 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -79.1 | -24.8 | 173.5 | -65.1 | -77.8 | 173.4 | 0 | 0 | 112.2 | I1181 D1196 A1197 R1223 G1225 L1226 R1227 F1228 | I1181-E1199 HydrophobicContact CD1-CG 4.28Å; D1196-E1199 WeakPolarHBondContact O-CB 3.39Å; D1196-E1199 PolarHBondContact O-N 3.25Å; D1196-E1199 VanDerWaalsContact O-N 3.12Å; A1197-E1199 PolarHBondContact O-N 3.23Å; E1199-R1223 IonicContact OE1-CZ 2.7Å; E1199-R1223 IonicContact OE1-NH1 3.03Å; E1199-R1223 PolarHBondContact OE1-NH1 3.48Å; E1199-R1223 IonicContact OE1-NH2 3.21Å; E1199-R1223 PolarHBondContact OE1-NH2 3.22Å; E1199-R1223 IonicContact OE2-CZ 3.61Å; E1199-R1223 IonicContact OE2-NH1 3.89Å; E1199-R1223 PolarHBondContact OE2-NH1 3.43Å; E1199-R1223 IonicContact OE2-NH2 3Å; E1199-G1225 WeakPolarHBondContact OE2-CA 3.17Å; E1199-L1226 PolarHBondContact OE2-N 3.22Å; E1199-R1227 HydrophobicContact CB-CB 4.15Å; E1199-R1227 HydrophobicContact CB-CG 4.48Å; E1199-R1227 CarbonylContact O-C 3.58Å; E1199-R1227 VanDerWaalsContact O-C 3.23Å; E1199-R1227 PolarHBondContact O-N 2.85Å; E1199-F1228 PolarHBondContact O-N 2.66Å |
| 1200 | E | 87.9 | Confident | 87.6 | Confident | 108 Ų | 108 | 43.6 Ų | 43.6 | 51% | 0.505 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -95.7 | -32.3 | -170.8 | -68.5 | 168.7 | -166.2 | 0 | 0 | 112.9 | A1197 R1227 | A1197-E1200 PolarHBondContact O-N 3.49Å; E1200-R1227 HydrophobicContact CG-CB 3.86Å; E1200-R1227 IonicContact OE1-NE 3.23Å |
| 1201 | R | 87.2 | Confident | 87.6 | Confident | 152 Ų | 152 | 42 Ų | 42 | 57% | 0.574 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -148.6 | 159.5 | -174.4 | 66.7 | 179.6 | -176.2 | 178 | -1.3 | 113.5 | A1197 H1203 | A1197-R1201 PolarHBondContact O-N 3.3Å; R1201-H1203 PolarHBondContact NE-NE2 2.79Å; R1201-H1203 PolarHBondContact NH2-CE1 3.45Å |
| 1202 | A | 84.8 | Confident | 87.3 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 19% | 0.19 | 22% | 0.224 | C | C | . | . | trans | -68.7 | 135.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1178 | L1178-A1202 WeakPolarHBondContact O-CB 3.19Š| ||
| 1203 | H | 82.3 | Confident | 87.1 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 10% | 0.102 | 24% | 0.238 | C | C | . | . | trans | -121.1 | 109.7 | 178.3 | -89.1 | -88.6 | 0 | 0 | 0 | 109.4 | Y1198 R1201 E1205 | Y1198-H1203 HydrophobicContact CD1-CB 4.24Å; Y1198-H1203 HydrophobicContact CE1-CB 3.81Å; Y1198-H1203 HydrophobicContact CE2-CB 4.41Å; R1201-H1203 PolarHBondContact NE-NE2 2.79Å; R1201-H1203 PolarHBondContact NH2-CE1 3.45Å; H1203-E1205 VanDerWaalsContact C-N 3.28Å | ||
| 1204 | E | 82.3 | Confident | 86.7 | Confident | 115 Ų | 115 | 52.2 Ų | 52.2 | 54% | 0.537 | 27% | 0.266 | S | S | . | . | trans | -81.2 | -8.6 | 178.1 | -56.5 | -159.5 | 144 | 0 | 0 | 113.4 | N1174 | N1174-E1204 WeakPolarHBondContact O-CA 3.39Š| ||
| 1205 | E | 84.9 | Confident | 86.3 | Confident | 123 Ų | 123 | 60.9 Ų | 60.9 | 58% | 0.575 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -64.7 | 139.9 | 179 | -67.8 | 178.8 | -171.7 | 0 | 0 | 111.5 | H1203 L1207 | H1203-E1205 VanDerWaalsContact C-N 3.28Å; E1205-L1207 PolarHBondContact O-N 2.93Å; E1205-L1207 VanDerWaalsContact O-N 3.13Å |
| 1206 | P | 88.2 | Confident | 86.2 | Confident | 39 Ų | 39 | 59.5 Ų | 59.5 | 25% | 0.253 | 30% | 0.299 | S | S | . | . | trans | -63.9 | 112.3 | -175.6 | 24.1 | -34.2 | 0 | 0 | 0 | 112.4 | P1073 Y1074 V1171 F1172 I1173 | P1073-P1206 HydrophobicContact CB-CB 3.95Å; P1073-P1206 HydrophobicContact CB-CG 3.61Å; P1073-P1206 HydrophobicContact CG-CB 4.2Å; P1073-P1206 HydrophobicContact CG-CG 4.3Å; Y1074-P1206 WeakPolarHBondContact CE2-O 3.49Å; Y1074-P1206 PolarHBondContact OH-O 2.8Å; V1171-P1206 HydrophobicContact CG1-CB 3.51Å; F1172-P1206 CarbonylContact O-C 3.56Å; F1172-P1206 WeakPolarHBondContact O-CA 3.01Å; I1173-P1206 HydrophobicContact CG1-CB 4.35Å | ||
| 1207 | L | 90.4 | Very high | 86.1 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 123.5 | 176.7 | 175.1 | 68.8 | 0 | 0 | 0 | 110.3 | V1171 F1172 Q1194 Y1198 E1205 | V1171-L1207 CarbonylContact C-O 3.56Å; V1171-L1207 WeakPolarHBondContact CA-O 3.11Å; F1172-L1207 HydrophobicContact CB-CB 4.22Å; F1172-L1207 HydrophobicContact CD2-CD2 4.33Å; F1172-L1207 PolarHBondContact N-O 2.98Å; F1172-L1207 PolarHBondContact O-N 2.76Å; Q1194-L1207 HydrophobicContact CG-CD2 3.84Å; Y1198-L1207 HydrophobicContact CE1-CD2 4.45Å; E1205-L1207 PolarHBondContact O-N 2.93Å; E1205-L1207 VanDerWaalsContact O-N 3.13Å |
| 1208 | L | 89.9 | Confident | 86 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 130.4 | 172.3 | -87.1 | 160.1 | 0 | 0 | 0 | 110.2 | L1072 P1073 Y1074 V1114 L1148 V1171 | L1072-L1208 HydrophobicContact CB-CD1 4.47Å; L1072-L1208 HydrophobicContact CD2-CD1 4.44Å; L1072-L1208 HydrophobicContact CD2-CD2 4.08Å; P1073-L1208 HydrophobicContact CG-CD1 4.33Å; P1073-L1208 HydrophobicContact CG-CD2 4.48Å; P1073-L1208 HydrophobicContact CG-CG 4.07Å; Y1074-L1208 HydrophobicContact CD2-CD1 3.6Å; Y1074-L1208 HydrophobicContact CD2-CG 4.31Å; Y1074-L1208 HydrophobicContact CE2-CD1 3.87Å; Y1074-L1208 HydrophobicContact CE2-CG 4.15Å; V1114-L1208 HydrophobicContact CG1-CD1 4.41Å; L1148-L1208 HydrophobicContact CD1-CB 4.33Å; L1148-L1208 HydrophobicContact CD2-CB 3.98Å; V1171-L1208 HydrophobicContact CG2-CD2 4.24Å |
| 1209 | F | 91.4 | Very high | 86 | Confident | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 143.4 | 177.9 | 179.6 | -95.8 | 0 | 0 | 0 | 111.7 | F1170 F1172 A1191 F1211 C1220 L1242 | F1170-F1209 HydrophobicContact CB-CB 4.14Å; F1170-F1209 HydrophobicContact CB-CD1 4.02Å; F1170-F1209 AromaticContact CD2-CD1 3.88Å; F1170-F1209 HydrophobicContact CD2-CD1 3.88Å; F1170-F1209 HydrophobicContact CD2-CE1 4.42Å; F1170-F1209 HydrophobicContact CG-CD1 4.22Å; F1170-F1209 PolarHBondContact N-O 2.93Å; F1170-F1209 PolarHBondContact O-N 2.95Å; F1172-F1209 HydrophobicContact CD2-CB 3.6Å; F1172-F1209 HydrophobicContact CD2-CD2 4.26Å; F1172-F1209 AromaticContact CD2-CG 3.98Å; F1172-F1209 HydrophobicContact CD2-CG 3.98Å; F1172-F1209 HydrophobicContact CE2-CB 3.41Å; F1172-F1209 VanDerWaalsContact CE2-CB 3.41Å; F1172-F1209 AromaticContact CE2-CD1 3.76Å; F1172-F1209 HydrophobicContact CE2-CD1 3.76Å; F1172-F1209 AromaticContact CE2-CD2 3.48Å; F1172-F1209 HydrophobicContact CE2-CD2 3.48Å; F1172-F1209 VanDerWaalsContact CE2-CD2 3.48Å; F1172-F1209 HydrophobicContact CE2-CE1 4.41Å; F1172-F1209 HydrophobicContact CE2-CE2 4.15Å; F1172-F1209 AromaticContact CE2-CG 3.25Å; F1172-F1209 HydrophobicContact CE2-CG 3.25Å; F1172-F1209 HydrophobicContact CZ-CB 4.19Å; F1172-F1209 AromaticContact CZ-CD1 3.88Å; F1172-F1209 HydrophobicContact CZ-CD1 3.88Å; F1172-F1209 HydrophobicContact CZ-CD2 4.33Å; F1172-F1209 HydrophobicContact CZ-CE1 4.36Å; F1172-F1209 AromaticContact CZ-CG 3.87Å; F1172-F1209 HydrophobicContact CZ-CG 3.87Å; A1191-F1209 HydrophobicContact CB-CD2 3.71Å; A1191-F1209 HydrophobicContact CB-CE2 3.73Å; F1209-F1211 AromaticContact CE1-CD1 3.81Å; F1209-F1211 HydrophobicContact CE1-CD1 3.81Å; F1209-F1211 HydrophobicContact CE1-CD2 4.45Å; F1209-F1211 AromaticContact CE1-CE1 3.74Å; F1209-F1211 HydrophobicContact CE1-CE1 3.74Å; F1209-F1211 HydrophobicContact CE1-CE2 4.39Å; F1209-F1211 HydrophobicContact CE1-CG 4.19Å; F1209-F1211 HydrophobicContact CE1-CZ 4.06Å; F1209-F1211 AromaticContact CZ-CD1 3.88Å; F1209-F1211 HydrophobicContact CZ-CD1 3.88Å; F1209-F1211 AromaticContact CZ-CE1 3.98Å; F1209-F1211 HydrophobicContact CZ-CE1 3.98Å; F1209-C1220 VanDerWaalsContact CZ-SG 3.52Å; F1209-L1242 HydrophobicContact CD1-CD1 3.74Å; F1209-L1242 HydrophobicContact CE1-CD1 3.59Å |
| 1210 | S | 90.3 | Very high | 86 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 5% | 0.049 | 31% | 0.308 | C | S | . | . | trans | -143.8 | 150.5 | 165.7 | 66.7 | 0 | 0 | 0 | 0 | 108.2 | L1148 H1149 S1212 | L1148-S1210 WeakPolarHBondContact CA-OG 3.45Å; H1149-S1210 PolarHBondContact N-OG 3.49Å; S1210-S1212 PolarHBondContact O-N 3.26Å | ||
| 1211 | F | 90.5 | Very high | 86.3 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | trans | -64.9 | 119.3 | 165.5 | -61.5 | -70.3 | 0 | 0 | 0 | 108.8 | F1170 Q1184 F1209 D1213 Q1218 L1242 | F1170-F1211 HydrophobicContact CD2-CE2 4.36Å; F1170-F1211 AromaticContact CE2-CD2 3.73Å; F1170-F1211 HydrophobicContact CE2-CD2 3.73Å; F1170-F1211 AromaticContact CE2-CE2 3.49Å; F1170-F1211 HydrophobicContact CE2-CE2 3.49Å; F1170-F1211 VanDerWaalsContact CE2-CE2 3.49Å; F1170-F1211 HydrophobicContact CZ-CD2 4.35Å; F1170-F1211 AromaticContact CZ-CE2 3.74Å; F1170-F1211 HydrophobicContact CZ-CE2 3.74Å; Q1184-F1211 HydrophobicContact CB-CD1 4.36Å; Q1184-F1211 HydrophobicContact CG-CD1 3.82Å; Q1184-F1211 HydrophobicContact CG-CE1 4.44Å; F1209-F1211 AromaticContact CE1-CD1 3.81Å; F1209-F1211 HydrophobicContact CE1-CD1 3.81Å; F1209-F1211 HydrophobicContact CE1-CD2 4.45Å; F1209-F1211 AromaticContact CE1-CE1 3.74Å; F1209-F1211 HydrophobicContact CE1-CE1 3.74Å; F1209-F1211 HydrophobicContact CE1-CE2 4.39Å; F1209-F1211 HydrophobicContact CE1-CG 4.19Å; F1209-F1211 HydrophobicContact CE1-CZ 4.06Å; F1209-F1211 AromaticContact CZ-CD1 3.88Å; F1209-F1211 HydrophobicContact CZ-CD1 3.88Å; F1209-F1211 AromaticContact CZ-CE1 3.98Å; F1209-F1211 HydrophobicContact CZ-CE1 3.98Å; F1211-D1213 VanDerWaalsContact C-N 3.34Å; F1211-Q1218 HydrophobicContact CD2-CB 4.3Å; F1211-Q1218 VanDerWaalsContact CE1-C 3.42Å; F1211-Q1218 HydrophobicContact CE1-CB 4.36Å; F1211-Q1218 HydrophobicContact CE2-CB 4.07Å; F1211-Q1218 VanDerWaalsContact CZ-C 3.48Å; F1211-Q1218 HydrophobicContact CZ-CB 4.09Å; F1211-Q1218 WeakPolarHBondContact CZ-O 3.46Å; F1211-L1242 HydrophobicContact CE1-CD1 4.39Å; F1211-L1242 HydrophobicContact CE2-CD1 4.17Å; F1211-L1242 HydrophobicContact CZ-CB 4.33Å; F1211-L1242 HydrophobicContact CZ-CD1 3.69Å; F1211-L1242 HydrophobicContact CZ-CG 3.96Å | ||
| 1212 | S | 85 | Confident | 86.5 | Confident | 43 Ų | 43 | 51 Ų | 51 | 30% | 0.301 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -76.5 | -28.6 | -176.6 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | Q1184 S1210 | Q1184-S1212 PolarHBondContact OE1-OG 2.76Å; S1210-S1212 PolarHBondContact O-N 3.26Å |
| 1213 | D | 86 | Confident | 87 | Confident | 66 Ų | 66 | 50.6 Ų | 50.6 | 35% | 0.353 | 26% | 0.255 | S | S | . | . | trans | -118.9 | 120.2 | 176.4 | -172.3 | -14.4 | 0 | 0 | 0 | 108.5 | Q1184 V1187 F1211 E1215 A1216 Q1218 | Q1184-D1213 PolarHBondContact NE2-O 3.28Å; V1187-D1213 HydrophobicContact CG2-CB 3.89Å; F1211-D1213 VanDerWaalsContact C-N 3.34Å; D1213-E1215 VanDerWaalsContact C-N 3.34Å; D1213-E1215 WeakPolarHBondContact OD1-CB 3.4Å; D1213-E1215 PolarHBondContact OD1-N 2.82Å; D1213-A1216 HydrophobicContact CB-CB 3.88Å; D1213-A1216 PolarHBondContact OD1-N 3.4Å; D1213-Q1218 PolarHBondContact O-NE2 2.97Å | ||
| 1214 | L | 80.1 | Confident | 87.4 | Confident | 136 Ų | 136 | 49.6 Ų | 49.6 | 71% | 0.712 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -81.2 | -18.1 | -179.9 | -66.2 | 172.6 | 0 | 0 | 0 | 112.1 | Q1218 | L1214-Q1218 PolarHBondContact O-NE2 3.3Š|
| 1215 | E | 81.2 | Confident | 87.8 | Confident | 188 Ų | 188 | 44.1 Ų | 44.1 | 88% | 0.879 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -86.1 | -28.5 | 177.7 | -59.8 | -175.5 | 170.5 | 0 | 0 | 111.6 | D1213 | D1213-E1215 VanDerWaalsContact C-N 3.34Å; D1213-E1215 WeakPolarHBondContact OD1-CB 3.4Å; D1213-E1215 PolarHBondContact OD1-N 2.82Å |
| 1216 | A | 81.8 | Confident | 88 | Confident | 12 Ų | 12 | 42 Ų | 42 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -69.9 | 156.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1187 D1213 Q1218 | V1187-A1216 HydrophobicContact CG2-CB 4.08Å; D1213-A1216 HydrophobicContact CB-CB 3.88Å; D1213-A1216 PolarHBondContact OD1-N 3.4Å; A1216-Q1218 PolarHBondContact O-N 3.43Å; A1216-Q1218 PolarHBondContact O-NE2 3Å |
| 1217 | P | 80.2 | Confident | 88 | Confident | 68 Ų | 68 | 45.5 Ų | 45.5 | 44% | 0.442 | 23% | 0.225 | S | C | . | . | trans | -54.4 | 127.4 | 176.9 | -25 | 33.7 | 0 | 0 | 0 | 112 | Q1184 L1185 R1219 | Q1184-P1217 PolarHBondContact NE2-O 3.28Å; L1185-P1217 HydrophobicContact CD2-CB 4.09Å; L1185-P1217 HydrophobicContact CD2-CG 4.43Å; P1217-R1219 PolarHBondContact O-N 3.47Å | ||
| 1218 | Q | 84.2 | Confident | 87.7 | Confident | 72 Ų | 72 | 47.4 Ų | 47.4 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -77.6 | 55 | -178.8 | -55.3 | -65.1 | -62.8 | 0 | 0 | 111.4 | F1211 D1213 L1214 A1216 | F1211-Q1218 HydrophobicContact CD2-CB 4.3Å; F1211-Q1218 VanDerWaalsContact CE1-C 3.42Å; F1211-Q1218 HydrophobicContact CE1-CB 4.36Å; F1211-Q1218 HydrophobicContact CE2-CB 4.07Å; F1211-Q1218 VanDerWaalsContact CZ-C 3.48Å; F1211-Q1218 HydrophobicContact CZ-CB 4.09Å; F1211-Q1218 WeakPolarHBondContact CZ-O 3.46Å; D1213-Q1218 PolarHBondContact O-NE2 2.97Å; L1214-Q1218 PolarHBondContact O-NE2 3.3Å; A1216-Q1218 PolarHBondContact O-N 3.43Å; A1216-Q1218 PolarHBondContact O-NE2 3Å |
| 1219 | R | 88.2 | Confident | 87.2 | Confident | 108 Ų | 108 | 50 Ų | 50 | 41% | 0.408 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 153.8 | -178.7 | -63.3 | -170.7 | 178.1 | -163.6 | 0 | 110.2 | L1185 P1217 H1239 F1240 | L1185-R1219 HydrophobicContact CB-CB 4.28Å; L1185-R1219 HydrophobicContact CD2-CB 4.31Å; L1185-R1219 PolarHBondContact N-O 3.44Å; P1217-R1219 PolarHBondContact O-N 3.47Å; R1219-H1239 HydrophobicContact CB-CB 4.24Å; R1219-H1239 PolarHBondContact NH1-CE1 2.88Å; R1219-H1239 PolarHBondContact NH1-ND1 2.8Å; R1219-F1240 WeakPolarHBondContact CA-O 3.36Å |
| 1220 | C | 90.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 150.4 | -178.4 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | I1182 K1183 F1209 H1239 F1240 | I1182-C1220 HydrophobicContact CG2-CB 4.27Å; K1183-C1220 CarbonylContact O-C 3.41Å; K1183-C1220 WeakPolarHBondContact O-CA 3.16Å; F1209-C1220 VanDerWaalsContact CZ-SG 3.52Å; C1220-H1239 CarbonylContact O-C 3.48Å; C1220-H1239 VanDerWaalsContact O-CA 3.23Å; C1220-H1239 WeakPolarHBondContact O-CA 3.44Å; C1220-F1240 HydrophobicContact CB-CE1 4.07Å; C1220-F1240 HydrophobicContact CB-CE2 4.07Å; C1220-F1240 HydrophobicContact CB-CZ 3.75Å; C1220-F1240 PolarHBondContact N-O 3.37Å; C1220-F1240 WeakPolarHBondContact O-CD1 3.25Å; C1220-F1240 WeakPolarHBondContact O-CE1 3.2Å; C1220-F1240 PolarHBondContact O-N 3.23Å |
| 1221 | C | 92.8 | Very high | 86.6 | Confident | 13 Ų | 13 | 55 Ų | 55 | 9% | 0.088 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 154.6 | 165.9 | -65 | 0 | 0 | 0 | 0 | 108.5 | K1183 W1236 S1237 | K1183-C1221 PolarHBondContact N-O 3.35Å; K1183-C1221 PolarHBondContact O-N 3.14Å; C1221-W1236 HydrophobicContact CB-CB 4.44Å; C1221-W1236 HydrophobicContact CB-CE3 3.92Å; C1221-S1237 PolarHBondContact SG-O 2.72Å |
| 1222 | M | 92.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 156.9 | 174.4 | 51.4 | 163.5 | 127.6 | 0 | 0 | 112.1 | I1180 I1181 I1182 S1237 F1240 R1249 L1251 I1265 I1267 F1284 | I1180-M1222 HydrophobicContact CG2-CB 3.95Å; I1180-M1222 HydrophobicContact CG2-SD 4.27Å; I1181-M1222 CarbonylContact O-C 3.49Å; I1181-M1222 WeakPolarHBondContact O-CA 3.41Å; I1181-M1222 WeakPolarHBondContact O-CB 3.4Å; I1182-M1222 HydrophobicContact CG1-CB 4.38Å; M1222-S1237 PolarHBondContact N-OG 3.29Å; M1222-S1237 VanDerWaalsContact N-OG 3.12Å; M1222-S1237 VanDerWaalsContact O-CB 3.26Å; M1222-S1237 WeakPolarHBondContact O-CB 3.49Å; M1222-S1237 PolarHBondContact O-N 2.72Å; M1222-S1237 PolarHBondContact O-OG 2.83Å; M1222-F1240 HydrophobicContact CE-CD1 4.28Å; M1222-F1240 HydrophobicContact CE-CE1 3.55Å; M1222-F1240 HydrophobicContact CE-CZ 3.75Å; M1222-F1240 HydrophobicContact CG-CE1 4.01Å; M1222-R1249 HydrophobicContact CE-CB 4.12Å; M1222-R1249 HydrophobicContact CE-CG 4.32Å; M1222-L1251 HydrophobicContact CG-CD2 3.96Å; M1222-L1251 WeakPolarHBondContact O-CD2 3.17Å; M1222-L1251 HydrophobicContact SD-CD1 4.24Å; M1222-L1251 HydrophobicContact SD-CD2 4.34Å; M1222-I1265 HydrophobicContact CE-CG2 4.19Å; M1222-I1265 HydrophobicContact SD-CD1 3.95Å; M1222-I1265 HydrophobicContact SD-CG2 4.23Å; M1222-I1267 HydrophobicContact CE-CD1 3.39Å; M1222-I1267 HydrophobicContact CE-CG1 3.8Å; M1222-F1284 HydrophobicContact CE-CD1 3.78Å; M1222-F1284 HydrophobicContact CE-CE1 3.56Å; M1222-F1284 HydrophobicContact SD-CD1 4.36Å; M1222-F1284 HydrophobicContact SD-CE1 4.33Å |
| 1223 | R | 93.7 | Very high | 86.6 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 6% | 0.057 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 167.4 | 173.8 | 67.5 | 171.2 | 176.7 | 80.4 | -2 | 110.7 | I1180 I1181 E1190 E1199 W1236 | I1180-R1223 WeakPolarHBondContact CA-O 3.26Å; I1181-R1223 HydrophobicContact CB-CG 3.89Å; I1181-R1223 HydrophobicContact CG2-CG 4.36Å; I1181-R1223 PolarHBondContact N-O 3.08Å; I1181-R1223 PolarHBondContact O-N 3.38Å; E1190-R1223 IonicContact OE1-CZ 3.7Å; E1190-R1223 IonicContact OE1-NE 2.77Å; E1190-R1223 IonicContact OE1-NH2 2.73Å; E1190-R1223 PolarHBondContact OE1-NH2 2.8Å; E1199-R1223 IonicContact OE1-CZ 2.7Å; E1199-R1223 IonicContact OE1-NH1 3.03Å; E1199-R1223 PolarHBondContact OE1-NH1 3.48Å; E1199-R1223 IonicContact OE1-NH2 3.21Å; E1199-R1223 PolarHBondContact OE1-NH2 3.22Å; E1199-R1223 IonicContact OE2-CZ 3.61Å; E1199-R1223 IonicContact OE2-NH1 3.89Å; E1199-R1223 PolarHBondContact OE2-NH1 3.43Å; E1199-R1223 IonicContact OE2-NH2 3Å; R1223-W1236 HydrophobicContact CB-CD2 4.22Å; R1223-W1236 HydrophobicContact CB-CE3 4.04Å; R1223-W1236 HydrophobicContact CB-CZ3 4.41Å; R1223-W1236 HydrophobicContact CG-CD2 4.12Å; R1223-W1236 HydrophobicContact CG-CE3 3.96Å; R1223-W1236 HydrophobicContact CG-CH2 4.01Å; R1223-W1236 HydrophobicContact CG-CZ2 4.16Å; R1223-W1236 HydrophobicContact CG-CZ3 3.91Å |
| 1224 | I | 91.3 | Very high | 86.8 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 149.5 | 169.3 | -74.4 | 168.9 | 0 | 0 | 0 | 110.4 | L1178 A1179 F1228 V1231 A1234 L1251 V1253 Y1263 | L1178-I1224 HydrophobicContact CD1-CD1 4.27Å; A1179-I1224 CarbonylContact O-C 3.35Å; A1179-I1224 VanDerWaalsContact O-CA 3.27Å; A1179-I1224 WeakPolarHBondContact O-CA 3.32Å; I1224-F1228 HydrophobicContact CG2-CB 4.37Å; I1224-F1228 HydrophobicContact CG2-CD1 4.07Å; I1224-V1231 HydrophobicContact CG2-CG2 4.38Å; I1224-A1234 WeakPolarHBondContact O-CB 3.37Å; I1224-L1251 HydrophobicContact CD1-CB 4.14Å; I1224-L1251 HydrophobicContact CD1-CD1 4.27Å; I1224-L1251 HydrophobicContact CG1-CB 4.37Å; I1224-L1251 HydrophobicContact CG1-CD1 3.78Å; I1224-V1253 HydrophobicContact CB-CG2 3.76Å; I1224-V1253 HydrophobicContact CD1-CG2 3.47Å; I1224-V1253 VanDerWaalsContact CD1-CG2 3.47Å; I1224-V1253 HydrophobicContact CG1-CG2 4.1Å; I1224-V1253 HydrophobicContact CG2-CG2 4.13Å; I1224-Y1263 HydrophobicContact CD1-CD2 3.05Å; I1224-Y1263 HydrophobicContact CD1-CE2 3.48Å; I1224-Y1263 VanDerWaalsContact CD1-CE2 3.48Å; I1224-Y1263 HydrophobicContact CD1-CG 3.66Å |
| 1225 | G | 91 | Very high | 87.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -62.1 | 134.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | A1179 E1199 R1227 F1228 | A1179-G1225 PolarHBondContact O-N 2.79Å; E1199-G1225 WeakPolarHBondContact OE2-CA 3.17Å; G1225-R1227 VanDerWaalsContact C-N 3.26Å; G1225-R1227 PolarHBondContact O-N 2.89Å; G1225-F1228 WeakPolarHBondContact O-CB 3.46Å; G1225-F1228 PolarHBondContact O-N 2.85Å | ||
| 1226 | L | 88.6 | Confident | 87.8 | Confident | 78 Ų | 78 | 52 Ų | 52 | 41% | 0.408 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -22.1 | -178.7 | -68.2 | 170.5 | 0 | 0 | 0 | 112.5 | E1199 V1231 A1234 | E1199-L1226 PolarHBondContact OE2-N 3.22Å; L1226-V1231 HydrophobicContact CD2-CG1 4.31Å; L1226-A1234 HydrophobicContact CD2-CB 3.86Å |
| 1227 | R | 87.9 | Confident | 88.1 | Confident | 113 Ų | 113 | 51.7 Ų | 51.7 | 43% | 0.426 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 9.3 | 176.9 | -64.9 | -169.5 | -69.8 | -99.7 | -4.9 | 113.2 | D1196 E1199 E1200 G1225 G1229 | D1196-R1227 VanDerWaalsContact CG-NH2 3.33Å; D1196-R1227 PolarHBondContact O-NH2 2.72Å; D1196-R1227 IonicContact OD1-CZ 3.1Å; D1196-R1227 IonicContact OD1-NH1 3.57Å; D1196-R1227 IonicContact OD1-NH2 2.71Å; D1196-R1227 PolarHBondContact OD1-NH2 3Å; E1199-R1227 HydrophobicContact CB-CB 4.15Å; E1199-R1227 HydrophobicContact CB-CG 4.48Å; E1199-R1227 CarbonylContact O-C 3.58Å; E1199-R1227 VanDerWaalsContact O-C 3.23Å; E1199-R1227 PolarHBondContact O-N 2.85Å; E1200-R1227 HydrophobicContact CG-CB 3.86Å; E1200-R1227 IonicContact OE1-NE 3.23Å; G1225-R1227 VanDerWaalsContact C-N 3.26Å; G1225-R1227 PolarHBondContact O-N 2.89Å; R1227-G1229 PolarHBondContact O-N 2.66Å |
| 1228 | F | 84.6 | Confident | 88.5 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -87.4 | 101.5 | -179.2 | 179.6 | -102.3 | 0 | 0 | 0 | 110 | L1178 A1179 E1199 I1224 G1225 V1231 | L1178-F1228 HydrophobicContact CD2-CE1 3.87Å; L1178-F1228 HydrophobicContact CD2-CZ 4.03Å; A1179-F1228 HydrophobicContact CB-CB 3.64Å; A1179-F1228 HydrophobicContact CB-CD2 3.52Å; A1179-F1228 HydrophobicContact CB-CE2 4.33Å; A1179-F1228 HydrophobicContact CB-CG 3.67Å; E1199-F1228 PolarHBondContact O-N 2.66Å; I1224-F1228 HydrophobicContact CG2-CB 4.37Å; I1224-F1228 HydrophobicContact CG2-CD1 4.07Å; G1225-F1228 WeakPolarHBondContact O-CB 3.46Å; G1225-F1228 PolarHBondContact O-N 2.85Å; F1228-V1231 WeakPolarHBondContact O-CG2 3.35Å |
| 1229 | G | 80.6 | Confident | 88.5 | Confident | 58 Ų | 58 | 54.4 Ų | 54.4 | 60% | 0.598 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 65 | -140.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1227 V1231 | R1227-G1229 PolarHBondContact O-N 2.66Å; G1229-V1231 VanDerWaalsContact C-N 3.33Å; G1229-V1231 PolarHBondContact O-N 3.02Å |
| 1230 | N | 82.5 | Confident | 88.4 | Confident | 106 Ų | 106 | 49.3 Ų | 49.3 | 57% | 0.567 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -96.2 | 39.1 | -173.6 | -59.5 | -2.9 | 0 | 0 | 0 | 112.4 | L1255 Q1256 | N1230-L1255 CarbonylContact O-C 3.56Å; N1230-L1255 VanDerWaalsContact O-CA 3.22Å; N1230-L1255 WeakPolarHBondContact O-CA 3.34Å; N1230-L1255 WeakPolarHBondContact O-CD2 3.39Å; N1230-Q1256 PolarHBondContact O-N 3.4Å |
| 1231 | V | 85.5 | Confident | 88.1 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 128.2 | -179.4 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | I1224 L1226 F1228 G1229 A1234 V1253 L1255 | I1224-V1231 HydrophobicContact CG2-CG2 4.38Å; L1226-V1231 HydrophobicContact CD2-CG1 4.31Å; F1228-V1231 WeakPolarHBondContact O-CG2 3.35Å; G1229-V1231 VanDerWaalsContact C-N 3.33Å; G1229-V1231 PolarHBondContact O-N 3.02Å; V1231-A1234 HydrophobicContact CG1-CB 4.13Å; V1231-V1253 HydrophobicContact CB-CG1 4.2Å; V1231-V1253 HydrophobicContact CG1-CG1 3.85Å; V1231-V1253 HydrophobicContact CG2-CG1 3.47Å; V1231-V1253 VanDerWaalsContact CG2-CG1 3.47Å; V1231-L1255 HydrophobicContact CG2-CD2 4.04Å |
| 1232 | Q | 86.8 | Confident | 87.7 | Confident | 100 Ų | 100 | 52 Ų | 52 | 47% | 0.467 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -49.5 | 172.1 | -174.2 | -177.9 | -8.8 | 0 | 0 | 110.6 | V1254 L1255 Q1256 | Q1232-V1254 WeakPolarHBondContact CA-O 3.43Å; Q1232-V1254 WeakPolarHBondContact CB-O 3.41Å; Q1232-V1254 PolarHBondContact N-O 3.31Å; Q1232-L1255 PolarHBondContact OE1-O 2.83Å; Q1232-Q1256 HydrophobicContact CB-CG 4.3Å |
| 1233 | E | 89.5 | Confident | 87 | Confident | 118 Ų | 118 | 56.8 Ų | 56.8 | 55% | 0.551 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 142.5 | 178 | -63 | -177.6 | 174.8 | 0 | 0 | 111.5 | V1254 | E1233-V1254 HydrophobicContact CB-CB 4.06Å; E1233-V1254 HydrophobicContact CB-CG2 4.19Å; E1233-V1254 PolarHBondContact N-O 3.46Å; E1233-V1254 PolarHBondContact O-N 2.96Å |
| 1234 | A | 90.5 | Very high | 85.9 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | trans | -137.2 | 91.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I1224 L1226 V1231 | I1224-A1234 WeakPolarHBondContact O-CB 3.37Å; L1226-A1234 HydrophobicContact CD2-CB 3.86Å; V1231-A1234 HydrophobicContact CG1-CB 4.13Å | ||
| 1235 | P | 90.4 | Very high | 84.9 | Confident | 62 Ų | 62 | 64.4 Ų | 64.4 | 40% | 0.403 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 152.7 | 175.5 | 23.5 | -35.1 | 0 | 0 | 0 | 113 | P1252 | P1235-P1252 VanDerWaalsContact CD-O 3.28Å; P1235-P1252 WeakPolarHBondContact CD-O 3.37Å; P1235-P1252 HydrophobicContact CG-CB 3.82Å; P1235-P1252 HydrophobicContact CG-CG 3.78Å |
| 1236 | W | 90.4 | Very high | 84 | Confident | 94 Ų | 94 | 68.9 Ų | 68.9 | 36% | 0.356 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 140.5 | 172.7 | -69.6 | 96.5 | 0 | 0 | 0 | 111.1 | I1181 K1183 E1190 C1221 R1223 | I1181-W1236 HydrophobicContact CB-CH2 4.49Å; I1181-W1236 HydrophobicContact CG2-CH2 3.68Å; I1181-W1236 HydrophobicContact CG2-CZ2 4.46Å; I1181-W1236 HydrophobicContact CG2-CZ3 4.38Å; K1183-W1236 HydrophobicContact CB-CE3 4.28Å; K1183-W1236 HydrophobicContact CB-CH2 3.34Å; K1183-W1236 HydrophobicContact CB-CZ2 4.05Å; K1183-W1236 HydrophobicContact CB-CZ3 3.48Å; K1183-W1236 VanDerWaalsContact CB-CZ3 3.48Å; K1183-W1236 HydrophobicContact CD-CH2 3.93Å; K1183-W1236 HydrophobicContact CD-CZ2 3.72Å; K1183-W1236 HydrophobicContact CG-CH2 4.27Å; E1190-W1236 HydrophobicContact CG-CH2 4.36Å; E1190-W1236 HydrophobicContact CG-CZ2 4.4Å; C1221-W1236 HydrophobicContact CB-CB 4.44Å; C1221-W1236 HydrophobicContact CB-CE3 3.92Å; R1223-W1236 HydrophobicContact CB-CD2 4.22Å; R1223-W1236 HydrophobicContact CB-CE3 4.04Å; R1223-W1236 HydrophobicContact CB-CZ3 4.41Å; R1223-W1236 HydrophobicContact CG-CD2 4.12Å; R1223-W1236 HydrophobicContact CG-CE3 3.96Å; R1223-W1236 HydrophobicContact CG-CH2 4.01Å; R1223-W1236 HydrophobicContact CG-CZ2 4.16Å; R1223-W1236 HydrophobicContact CG-CZ3 3.91Å |
| 1237 | S | 89.5 | Confident | 83.3 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 5% | 0.049 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 162.7 | 174.1 | 79.2 | 0 | 0 | 0 | 0 | 112.5 | C1221 M1222 | C1221-S1237 PolarHBondContact SG-O 2.72Å; M1222-S1237 PolarHBondContact N-OG 3.29Å; M1222-S1237 VanDerWaalsContact N-OG 3.12Å; M1222-S1237 VanDerWaalsContact O-CB 3.26Å; M1222-S1237 WeakPolarHBondContact O-CB 3.49Å; M1222-S1237 PolarHBondContact O-N 2.72Å; M1222-S1237 PolarHBondContact O-OG 2.83Å |
| 1238 | D | 87.2 | Confident | 83.1 | Confident | 124 Ų | 124 | 64.5 Ų | 64.5 | 66% | 0.663 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 143.7 | 161.2 | -68.2 | -34.3 | 0 | 0 | 0 | 111.4 | R1249 | D1238-R1249 VanDerWaalsContact O-CD 3.27Å; D1238-R1249 WeakPolarHBondContact O-CD 3.22Å; D1238-R1249 PolarHBondContact O-NE 3.2Å |
| 1239 | H | 84.8 | Confident | 83.2 | Confident | 73 Ų | 73 | 65.3 Ų | 65.3 | 34% | 0.338 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 150.3 | -177.3 | 58.5 | 47.9 | 0 | 0 | 0 | 112.3 | L1185 R1219 C1220 R1249 | L1185-H1239 HydrophobicContact CD1-CB 4.43Å; L1185-H1239 HydrophobicContact CD2-CB 3.89Å; L1185-H1239 VanDerWaalsContact CD2-CD2 3.47Å; L1185-H1239 WeakPolarHBondContact CD2-CD2 3.47Å; R1219-H1239 HydrophobicContact CB-CB 4.24Å; R1219-H1239 PolarHBondContact NH1-CE1 2.88Å; R1219-H1239 PolarHBondContact NH1-ND1 2.8Å; C1220-H1239 CarbonylContact O-C 3.48Å; C1220-H1239 VanDerWaalsContact O-CA 3.23Å; C1220-H1239 WeakPolarHBondContact O-CA 3.44Å; H1239-R1249 PolarHBondContact O-NE 2.76Å; H1239-R1249 PolarHBondContact O-NH2 2.79Å |
| 1240 | F | 85.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 0% | 0.004 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 146 | 174 | 61.1 | -82.8 | 0 | 0 | 0 | 111.6 | R1219 C1220 M1222 L1242 R1249 I1267 F1284 | R1219-F1240 WeakPolarHBondContact CA-O 3.36Å; C1220-F1240 HydrophobicContact CB-CE1 4.07Å; C1220-F1240 HydrophobicContact CB-CE2 4.07Å; C1220-F1240 HydrophobicContact CB-CZ 3.75Å; C1220-F1240 PolarHBondContact N-O 3.37Å; C1220-F1240 WeakPolarHBondContact O-CD1 3.25Å; C1220-F1240 WeakPolarHBondContact O-CE1 3.2Å; C1220-F1240 PolarHBondContact O-N 3.23Å; M1222-F1240 HydrophobicContact CE-CD1 4.28Å; M1222-F1240 HydrophobicContact CE-CE1 3.55Å; M1222-F1240 HydrophobicContact CE-CZ 3.75Å; M1222-F1240 HydrophobicContact CG-CE1 4.01Å; F1240-L1242 HydrophobicContact CD2-CD2 4.19Å; F1240-L1242 HydrophobicContact CE2-CD2 3.7Å; F1240-R1249 HydrophobicContact CD1-CG 4.04Å; F1240-I1267 HydrophobicContact CB-CD1 4.45Å; F1240-I1267 HydrophobicContact CD1-CD1 3.95Å; F1240-I1267 HydrophobicContact CD2-CD1 3.71Å; F1240-I1267 HydrophobicContact CE1-CD1 4.12Å; F1240-I1267 HydrophobicContact CE2-CD1 3.86Å; F1240-I1267 HydrophobicContact CE2-CG2 4.32Å; F1240-I1267 HydrophobicContact CG-CD1 3.76Å; F1240-I1267 HydrophobicContact CZ-CD1 4.07Å; F1240-F1284 HydrophobicContact CE2-CE1 4.29Å; F1240-F1284 AromaticContact CZ-CE1 3.98Å; F1240-F1284 HydrophobicContact CZ-CE1 3.98Å; F1240-F1284 HydrophobicContact CZ-CZ 4.26Å |
| 1241 | P | 84.3 | Confident | 83.8 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 38% | 0.383 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 150.3 | 177.1 | 33.7 | -34.8 | 0 | 0 | 0 | 111.9 | V1243 | P1241-V1243 VanDerWaalsContact C-N 3.31Å; P1241-V1243 HydrophobicContact CB-CG2 4.21Å; P1241-V1243 PolarHBondContact O-N 3.27Å |
| 1242 | L | 84.2 | Confident | 83.8 | Confident | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | trans | -91.4 | 57.5 | 176.1 | -59.6 | -174.3 | 0 | 0 | 0 | 112.1 | F1170 F1172 F1209 F1211 F1240 I1282 | F1170-L1242 HydrophobicContact CB-CD1 4.39Å; F1170-L1242 HydrophobicContact CD1-CB 4.1Å; F1170-L1242 HydrophobicContact CD1-CD1 3.88Å; F1170-L1242 HydrophobicContact CD2-CD1 4.08Å; F1170-L1242 HydrophobicContact CE1-CB 3.74Å; F1170-L1242 HydrophobicContact CE1-CD1 4.11Å; F1170-L1242 HydrophobicContact CE2-CD1 4.33Å; F1170-L1242 HydrophobicContact CG-CD1 3.85Å; F1170-L1242 HydrophobicContact CZ-CB 4.26Å; F1170-L1242 HydrophobicContact CZ-CD1 4.35Å; F1172-L1242 HydrophobicContact CE1-CD1 4.28Å; F1172-L1242 HydrophobicContact CE1-CD2 3.87Å; F1172-L1242 HydrophobicContact CZ-CD1 3.86Å; F1172-L1242 HydrophobicContact CZ-CD2 4Å; F1209-L1242 HydrophobicContact CD1-CD1 3.74Å; F1209-L1242 HydrophobicContact CE1-CD1 3.59Å; F1211-L1242 HydrophobicContact CE1-CD1 4.39Å; F1211-L1242 HydrophobicContact CE2-CD1 4.17Å; F1211-L1242 HydrophobicContact CZ-CB 4.33Å; F1211-L1242 HydrophobicContact CZ-CD1 3.69Å; F1211-L1242 HydrophobicContact CZ-CG 3.96Å; F1240-L1242 HydrophobicContact CD2-CD2 4.19Å; F1240-L1242 HydrophobicContact CE2-CD2 3.7Å; L1242-I1282 HydrophobicContact CD2-CD1 4.5Å; L1242-I1282 HydrophobicContact CD2-CG1 4.26Å | ||
| 1243 | V | 77.7 | Confident | 83.8 | Confident | 101 Ų | 101 | 58.3 Ų | 58.3 | 61% | 0.612 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -111.6 | 148.1 | 179.3 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | P1241 G1245 I1269 | P1241-V1243 VanDerWaalsContact C-N 3.31Å; P1241-V1243 HydrophobicContact CB-CG2 4.21Å; P1241-V1243 PolarHBondContact O-N 3.27Å; V1243-G1245 PolarHBondContact O-N 3.2Å; V1243-I1269 WeakPolarHBondContact O-CB 3.39Å; V1243-I1269 WeakPolarHBondContact O-CD1 3.23Å |
| 1244 | K | 70.7 | Confident | 83.6 | Confident | 140 Ų | 140 | 54.4 Ų | 54.4 | 61% | 0.609 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -50.9 | 127 | 178.8 | -69.8 | -177.4 | -179.6 | 178 | 0 | 111.4 | L1280 | K1244-L1280 HydrophobicContact CG-CD2 3.98Š|
| 1245 | G | 71.1 | Confident | 83.3 | Confident | 36 Ų | 36 | 54.7 Ų | 54.7 | 37% | 0.371 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.5 | -176.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1243 I1269 | V1243-G1245 PolarHBondContact O-N 3.2Å; G1245-I1269 PolarHBondContact N-O 3.36Å; G1245-I1269 PolarHBondContact O-N 3.23Å |
| 1246 | I | 70.8 | Confident | 82.9 | Confident | 94 Ų | 94 | 57.7 Ų | 57.7 | 48% | 0.482 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.7 | 179.3 | -59.3 | 165.6 | 0 | 0 | 0 | 107.9 | F1248 I1267 A1377 | I1246-F1248 HydrophobicContact CG2-CE2 3.92Å; I1246-F1248 HydrophobicContact CG2-CZ 3.81Å; I1246-I1267 WeakPolarHBondContact CA-O 3.36Å; I1246-A1377 HydrophobicContact CG2-CB 3.79Å |
| 1247 | A | 75.5 | Confident | 82.3 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 25% | 0.248 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 168.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1267 | A1247-I1267 HydrophobicContact CB-CB 4.2Å; A1247-I1267 HydrophobicContact CB-CD1 4.33Å; A1247-I1267 PolarHBondContact N-O 3.25Å; A1247-I1267 PolarHBondContact O-N 3.2Å |
| 1248 | F | 83.3 | Confident | 81.6 | Confident | 68 Ų | 68 | 62.3 Ų | 62.3 | 30% | 0.298 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 141.6 | -178.4 | -61.1 | -77.3 | 0 | 0 | 0 | 110.6 | I1246 I1265 A1377 | I1246-F1248 HydrophobicContact CG2-CE2 3.92Å; I1246-F1248 HydrophobicContact CG2-CZ 3.81Å; F1248-I1265 CarbonylContact C-O 3.52Å; F1248-I1265 WeakPolarHBondContact CA-O 3.36Å; F1248-A1377 HydrophobicContact CD1-CB 4.32Å; F1248-A1377 HydrophobicContact CE1-CB 3.47Å; F1248-A1377 VanDerWaalsContact CE1-CB 3.47Å; F1248-A1377 WeakPolarHBondContact CE1-O 3.49Å; F1248-A1377 HydrophobicContact CZ-CB 3.79Å |
| 1249 | R | 86.6 | Confident | 81.1 | Confident | 66 Ų | 66 | 59.1 Ų | 59.1 | 25% | 0.249 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 142.3 | 172.9 | -71.7 | -65.3 | 174.3 | -109.3 | 12.2 | 111.5 | M1222 D1238 H1239 F1240 I1265 I1267 | M1222-R1249 HydrophobicContact CE-CB 4.12Å; M1222-R1249 HydrophobicContact CE-CG 4.32Å; D1238-R1249 VanDerWaalsContact O-CD 3.27Å; D1238-R1249 WeakPolarHBondContact O-CD 3.22Å; D1238-R1249 PolarHBondContact O-NE 3.2Å; H1239-R1249 PolarHBondContact O-NE 2.76Å; H1239-R1249 PolarHBondContact O-NH2 2.79Å; F1240-R1249 HydrophobicContact CD1-CG 4.04Å; R1249-I1265 PolarHBondContact N-O 3.18Å; R1249-I1265 PolarHBondContact O-N 3.23Å; R1249-I1267 HydrophobicContact CB-CD1 4.48Å; R1249-I1267 HydrophobicContact CG-CD1 3.93Å |
| 1250 | D | 86.7 | Confident | 80.7 | Confident | 82 Ų | 82 | 60.1 Ų | 60.1 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129.7 | 176.6 | -68.6 | -0.9 | 0 | 0 | 0 | 108.1 | P1252 V1262 H1264 | D1250-P1252 WeakPolarHBondContact O-CD 3.14Å; D1250-V1262 HydrophobicContact CB-CG1 3.72Å; D1250-H1264 VanDerWaalsContact CG-ND1 3.3Å; D1250-H1264 IonicContact OD1-CE1 3.29Å; D1250-H1264 IonicContact OD1-CG 2.61Å; D1250-H1264 IonicContact OD1-ND1 2.83Å; D1250-H1264 PolarHBondContact OD1-ND1 2.97Å; D1250-H1264 IonicContact OD2-CE1 3.69Å; D1250-H1264 IonicContact OD2-ND1 2.88Å |
| 1251 | L | 89.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 99.9 | 177.6 | -65 | -164 | 0 | 0 | 0 | 110.1 | M1222 I1224 V1262 Y1263 I1265 | M1222-L1251 HydrophobicContact CG-CD2 3.96Å; M1222-L1251 WeakPolarHBondContact O-CD2 3.17Å; M1222-L1251 HydrophobicContact SD-CD1 4.24Å; M1222-L1251 HydrophobicContact SD-CD2 4.34Å; I1224-L1251 HydrophobicContact CD1-CB 4.14Å; I1224-L1251 HydrophobicContact CD1-CD1 4.27Å; I1224-L1251 HydrophobicContact CG1-CB 4.37Å; I1224-L1251 HydrophobicContact CG1-CD1 3.78Å; L1251-V1262 CarbonylContact O-C 3.6Å; L1251-V1262 WeakPolarHBondContact O-CA 3.22Å; L1251-Y1263 PolarHBondContact N-O 3.33Å; L1251-Y1263 PolarHBondContact O-N 3.18Å; L1251-I1265 HydrophobicContact CD1-CD1 3.23Å; L1251-I1265 HydrophobicContact CD1-CG1 4.29Å; L1251-I1265 HydrophobicContact CG-CD1 3.77Å; L1251-I1265 HydrophobicContact CG-CG1 4.36Å |
| 1252 | P | 85.4 | Confident | 80.2 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 143.8 | 173.8 | 2.9 | 11.8 | 0 | 0 | 0 | 110.6 | P1235 D1250 K1261 V1262 | P1235-P1252 VanDerWaalsContact CD-O 3.28Å; P1235-P1252 WeakPolarHBondContact CD-O 3.37Å; P1235-P1252 HydrophobicContact CG-CB 3.82Å; P1235-P1252 HydrophobicContact CG-CG 3.78Å; D1250-P1252 WeakPolarHBondContact O-CD 3.14Å; P1252-K1261 CarbonylContact C-O 3.41Å; P1252-K1261 WeakPolarHBondContact CA-O 3.1Å; P1252-V1262 HydrophobicContact CB-CG2 4.49Å |
| 1253 | V | 87 | Confident | 80.2 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 129.8 | 179.8 | 173.3 | 0 | 0 | 0 | 0 | 108.9 | I1224 V1231 L1255 V1260 K1261 Y1263 | I1224-V1253 HydrophobicContact CB-CG2 3.76Å; I1224-V1253 HydrophobicContact CD1-CG2 3.47Å; I1224-V1253 VanDerWaalsContact CD1-CG2 3.47Å; I1224-V1253 HydrophobicContact CG1-CG2 4.1Å; I1224-V1253 HydrophobicContact CG2-CG2 4.13Å; V1231-V1253 HydrophobicContact CB-CG1 4.2Å; V1231-V1253 HydrophobicContact CG1-CG1 3.85Å; V1231-V1253 HydrophobicContact CG2-CG1 3.47Å; V1231-V1253 VanDerWaalsContact CG2-CG1 3.47Å; V1253-L1255 HydrophobicContact CG1-CD2 4.14Å; V1253-V1260 CarbonylContact O-C 3.55Å; V1253-V1260 WeakPolarHBondContact O-CA 3.14Å; V1253-K1261 PolarHBondContact N-O 3.05Å; V1253-K1261 PolarHBondContact O-N 3.09Å; V1253-Y1263 HydrophobicContact CB-CE2 4.43Å; V1253-Y1263 HydrophobicContact CG2-CD2 4.19Å; V1253-Y1263 HydrophobicContact CG2-CE2 4.15Å |
| 1254 | V | 84.7 | Confident | 80.6 | Confident | 36 Ų | 36 | 61.1 Ų | 61.1 | 22% | 0.218 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 121.1 | 171.1 | -171.3 | 0 | 0 | 0 | 0 | 107.7 | Q1232 E1233 V1260 | Q1232-V1254 WeakPolarHBondContact CA-O 3.43Å; Q1232-V1254 WeakPolarHBondContact CB-O 3.41Å; Q1232-V1254 PolarHBondContact N-O 3.31Å; E1233-V1254 HydrophobicContact CB-CB 4.06Å; E1233-V1254 HydrophobicContact CB-CG2 4.19Å; E1233-V1254 PolarHBondContact N-O 3.46Å; E1233-V1254 PolarHBondContact O-N 2.96Å; V1254-V1260 HydrophobicContact CG2-CG2 4.32Å |
| 1255 | L | 83.7 | Confident | 81.4 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 161 | 177.6 | -65.3 | 175.3 | 0 | 0 | 0 | 110.9 | N1230 V1231 Q1232 V1253 D1257 S1258 T1259 K1261 | N1230-L1255 CarbonylContact O-C 3.56Å; N1230-L1255 VanDerWaalsContact O-CA 3.22Å; N1230-L1255 WeakPolarHBondContact O-CA 3.34Å; N1230-L1255 WeakPolarHBondContact O-CD2 3.39Å; V1231-L1255 HydrophobicContact CG2-CD2 4.04Å; Q1232-L1255 PolarHBondContact OE1-O 2.83Å; V1253-L1255 HydrophobicContact CG1-CD2 4.14Å; L1255-D1257 WeakPolarHBondContact CB-OD1 3.33Å; L1255-D1257 PolarHBondContact O-N 2.59Å; L1255-S1258 WeakPolarHBondContact O-CA 3.29Å; L1255-S1258 PolarHBondContact O-N 3.01Å; L1255-T1259 WeakPolarHBondContact CD1-OG1 3.5Å; L1255-T1259 PolarHBondContact N-O 3.1Å; L1255-K1261 HydrophobicContact CD1-CD 3.77Å; L1255-K1261 HydrophobicContact CD1-CG 4.1Å |
| 1256 | Q | 82 | Confident | 82.2 | Confident | 126 Ų | 126 | 52.8 Ų | 52.8 | 59% | 0.589 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.8 | -178.4 | -72.4 | 176.4 | 1.4 | 0 | 0 | 114.3 | N1230 Q1232 S1258 | N1230-Q1256 PolarHBondContact O-N 3.4Å; Q1232-Q1256 HydrophobicContact CB-CG 4.3Å; Q1256-S1258 PolarHBondContact O-N 3.2Å |
| 1257 | D | 77.5 | Confident | 83 | Confident | 103 Ų | 103 | 48.3 Ų | 48.3 | 55% | 0.551 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 12.8 | 171.6 | 55.6 | 3.6 | 0 | 0 | 0 | 112.6 | L1255 T1259 | L1255-D1257 WeakPolarHBondContact CB-OD1 3.33Å; L1255-D1257 PolarHBondContact O-N 2.59Å; D1257-T1259 HydrophobicContact CB-CG2 4.42Å; D1257-T1259 VanDerWaalsContact CG-OG1 3.31Å; D1257-T1259 PolarHBondContact O-N 3.09Å; D1257-T1259 WeakPolarHBondContact OD1-CB 3.33Å; D1257-T1259 PolarHBondContact OD1-N 2.76Å; D1257-T1259 PolarHBondContact OD1-OG1 2.99Å; D1257-T1259 PolarHBondContact OD2-OG1 3.01Å |
| 1258 | S | 76.6 | Confident | 83.4 | Confident | 94 Ų | 94 | 48.9 Ų | 48.9 | 66% | 0.657 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 62 | 14.8 | -175.3 | -51.4 | 0 | 0 | 0 | 0 | 114.1 | L1255 Q1256 | L1255-S1258 WeakPolarHBondContact O-CA 3.29Å; L1255-S1258 PolarHBondContact O-N 3.01Å; Q1256-S1258 PolarHBondContact O-N 3.2Å |
| 1259 | T | 76.1 | Confident | 83.5 | Confident | 58 Ų | 58 | 46.1 Ų | 46.1 | 36% | 0.356 | 25% | 0.247 | S | C | . | . | trans | -85.4 | 139.3 | 176.6 | 66.9 | 0 | 0 | 0 | 0 | 111.3 | L1255 D1257 | L1255-T1259 WeakPolarHBondContact CD1-OG1 3.5Å; L1255-T1259 PolarHBondContact N-O 3.1Å; D1257-T1259 HydrophobicContact CB-CG2 4.42Å; D1257-T1259 VanDerWaalsContact CG-OG1 3.31Å; D1257-T1259 PolarHBondContact O-N 3.09Å; D1257-T1259 WeakPolarHBondContact OD1-CB 3.33Å; D1257-T1259 PolarHBondContact OD1-N 2.76Å; D1257-T1259 PolarHBondContact OD1-OG1 2.99Å; D1257-T1259 PolarHBondContact OD2-OG1 3.01Å | ||
| 1260 | V | 76.5 | Confident | 83.2 | Confident | 93 Ų | 93 | 47.3 Ų | 47.3 | 56% | 0.564 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.4 | 178.6 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | V1253 V1254 | V1253-V1260 CarbonylContact O-C 3.55Å; V1253-V1260 WeakPolarHBondContact O-CA 3.14Å; V1254-V1260 HydrophobicContact CG2-CG2 4.32Å |
| 1261 | K | 77.2 | Confident | 82.8 | Confident | 85 Ų | 85 | 45.5 Ų | 45.5 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 148.6 | 171.7 | -71.5 | -172 | -178.1 | 172.4 | 0 | 110.4 | P1252 V1253 L1255 Y1263 | P1252-K1261 CarbonylContact C-O 3.41Å; P1252-K1261 WeakPolarHBondContact CA-O 3.1Å; V1253-K1261 PolarHBondContact N-O 3.05Å; V1253-K1261 PolarHBondContact O-N 3.09Å; L1255-K1261 HydrophobicContact CD1-CD 3.77Å; L1255-K1261 HydrophobicContact CD1-CG 4.1Å; K1261-Y1263 HydrophobicContact CB-CE2 4.24Å |
| 1262 | V | 81.9 | Confident | 82.1 | Confident | 24 Ų | 24 | 47.3 Ų | 47.3 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 127.3 | 176.9 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | D1250 L1251 P1252 P1326 | D1250-V1262 HydrophobicContact CB-CG1 3.72Å; L1251-V1262 CarbonylContact O-C 3.6Å; L1251-V1262 WeakPolarHBondContact O-CA 3.22Å; P1252-V1262 HydrophobicContact CB-CG2 4.49Å; V1262-P1326 HydrophobicContact CB-CB 3.95Å; V1262-P1326 HydrophobicContact CB-CG 3.78Å; V1262-P1326 WeakPolarHBondContact O-CG 3.21Å |
| 1263 | Y | 84.9 | Confident | 81.4 | Confident | 40 Ų | 40 | 54 Ų | 54 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.3 | 178 | -64.8 | -92.4 | 0 | 0 | 0 | 110.4 | L1178 I1224 L1251 V1253 K1261 H1322 | L1178-Y1263 HydrophobicContact CD1-CD1 3.47Å; L1178-Y1263 VanDerWaalsContact CD1-CD1 3.47Å; L1178-Y1263 HydrophobicContact CD1-CE1 4.11Å; L1178-Y1263 HydrophobicContact CD1-CG 3.71Å; L1178-Y1263 HydrophobicContact CD2-CD1 3.96Å; L1178-Y1263 HydrophobicContact CD2-CE1 3.71Å; L1178-Y1263 HydrophobicContact CG-CD1 4.37Å; I1224-Y1263 HydrophobicContact CD1-CD2 3.05Å; I1224-Y1263 HydrophobicContact CD1-CE2 3.48Å; I1224-Y1263 VanDerWaalsContact CD1-CE2 3.48Å; I1224-Y1263 HydrophobicContact CD1-CG 3.66Å; L1251-Y1263 PolarHBondContact N-O 3.33Å; L1251-Y1263 PolarHBondContact O-N 3.18Å; V1253-Y1263 HydrophobicContact CB-CE2 4.43Å; V1253-Y1263 HydrophobicContact CG2-CD2 4.19Å; V1253-Y1263 HydrophobicContact CG2-CE2 4.15Å; K1261-Y1263 HydrophobicContact CB-CE2 4.24Å; Y1263-H1322 HydrophobicContact CD1-CB 4Å; Y1263-H1322 AromaticContact CD1-CG 3.85Å; Y1263-H1322 AromaticContact CD1-ND1 3.8Å; Y1263-H1322 HydrophobicContact CE1-CB 4.14Å |
| 1264 | H | 85.1 | Confident | 80.5 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 20% | 0.204 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 112.4 | 177 | -61.1 | -64.9 | 0 | 0 | 0 | 110.6 | D1250 R1287 P1326 | D1250-H1264 VanDerWaalsContact CG-ND1 3.3Å; D1250-H1264 IonicContact OD1-CE1 3.29Å; D1250-H1264 IonicContact OD1-CG 2.61Å; D1250-H1264 IonicContact OD1-ND1 2.83Å; D1250-H1264 PolarHBondContact OD1-ND1 2.97Å; D1250-H1264 IonicContact OD2-CE1 3.69Å; D1250-H1264 IonicContact OD2-ND1 2.88Å; H1264-R1287 HydrophobicContact CB-CB 3.71Å; H1264-R1287 HydrophobicContact CB-CG 4.15Å; H1264-R1287 WeakPolarHBondContact O-CB 3.47Å; H1264-R1287 PolarHBondContact O-N 2.97Å; H1264-P1326 WeakPolarHBondContact NE2-CB 3.3Å |
| 1265 | I | 87.6 | Confident | 79.5 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.3 | -178 | -60.4 | -172.8 | 0 | 0 | 0 | 110.2 | T1176 I1180 M1222 F1248 R1249 L1251 F1284 | T1176-I1265 HydrophobicContact CG2-CD1 4.28Å; T1176-I1265 HydrophobicContact CG2-CG1 4.36Å; T1176-I1265 HydrophobicContact CG2-CG2 4Å; I1180-I1265 HydrophobicContact CD1-CD1 3.59Å; I1180-I1265 HydrophobicContact CG1-CD1 4.24Å; M1222-I1265 HydrophobicContact CE-CG2 4.19Å; M1222-I1265 HydrophobicContact SD-CD1 3.95Å; M1222-I1265 HydrophobicContact SD-CG2 4.23Å; F1248-I1265 CarbonylContact C-O 3.52Å; F1248-I1265 WeakPolarHBondContact CA-O 3.36Å; R1249-I1265 PolarHBondContact N-O 3.18Å; R1249-I1265 PolarHBondContact O-N 3.23Å; L1251-I1265 HydrophobicContact CD1-CD1 3.23Å; L1251-I1265 HydrophobicContact CD1-CG1 4.29Å; L1251-I1265 HydrophobicContact CG-CD1 3.77Å; L1251-I1265 HydrophobicContact CG-CG1 4.36Å; I1265-F1284 HydrophobicContact CG2-CB 4.05Å; I1265-F1284 HydrophobicContact CG2-CD1 4.16Å |
| 1266 | G | 87.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 137.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1284 T1285 | G1266-F1284 CarbonylContact O-C 3.55Å; G1266-F1284 WeakPolarHBondContact O-CA 3.41Å; G1266-T1285 PolarHBondContact N-O 3.08Å; G1266-T1285 PolarHBondContact O-N 2.9Å; G1266-T1285 PolarHBondContact O-OG1 3.19Å |
| 1267 | I | 88.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 117.3 | 178.5 | -47.9 | 174.7 | 0 | 0 | 0 | 107.2 | M1222 F1240 I1246 A1247 R1249 I1269 I1282 F1284 | M1222-I1267 HydrophobicContact CE-CD1 3.39Å; M1222-I1267 HydrophobicContact CE-CG1 3.8Å; F1240-I1267 HydrophobicContact CB-CD1 4.45Å; F1240-I1267 HydrophobicContact CD1-CD1 3.95Å; F1240-I1267 HydrophobicContact CD2-CD1 3.71Å; F1240-I1267 HydrophobicContact CE1-CD1 4.12Å; F1240-I1267 HydrophobicContact CE2-CD1 3.86Å; F1240-I1267 HydrophobicContact CE2-CG2 4.32Å; F1240-I1267 HydrophobicContact CG-CD1 3.76Å; F1240-I1267 HydrophobicContact CZ-CD1 4.07Å; I1246-I1267 WeakPolarHBondContact CA-O 3.36Å; A1247-I1267 HydrophobicContact CB-CB 4.2Å; A1247-I1267 HydrophobicContact CB-CD1 4.33Å; A1247-I1267 PolarHBondContact N-O 3.25Å; A1247-I1267 PolarHBondContact O-N 3.2Å; R1249-I1267 HydrophobicContact CB-CD1 4.48Å; R1249-I1267 HydrophobicContact CG-CD1 3.93Å; I1267-I1269 HydrophobicContact CG2-CD1 4.19Å; I1267-I1269 HydrophobicContact CG2-CG1 4.05Å; I1267-I1282 HydrophobicContact CG2-CG2 3.86Å; I1267-F1284 HydrophobicContact CD1-CE1 4.48Å; I1267-F1284 HydrophobicContact CG1-CD1 4.07Å; I1267-F1284 HydrophobicContact CG1-CE1 4.2Å; I1267-F1284 HydrophobicContact CG2-CD1 4.32Å; I1267-F1284 HydrophobicContact CG2-CE1 4.07Å |
| 1268 | N | 85.1 | Confident | 77.9 | Confident | 42 Ų | 42 | 58.8 Ų | 58.8 | 23% | 0.225 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.1 | 174.8 | -169 | 15.3 | 0 | 0 | 0 | 110 | I1282 I1283 | N1268-I1282 WeakPolarHBondContact O-CA 3.41Å; N1268-I1283 PolarHBondContact N-O 2.97Å; N1268-I1283 PolarHBondContact O-N 3.43Å |
| 1269 | I | 83.9 | Confident | 78 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 5% | 0.051 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 114.5 | -175.1 | -57.5 | 171.9 | 0 | 0 | 0 | 109.5 | V1243 G1245 I1267 L1281 I1282 | V1243-I1269 WeakPolarHBondContact O-CB 3.39Å; V1243-I1269 WeakPolarHBondContact O-CD1 3.23Å; G1245-I1269 PolarHBondContact N-O 3.36Å; G1245-I1269 PolarHBondContact O-N 3.23Å; I1267-I1269 HydrophobicContact CG2-CD1 4.19Å; I1267-I1269 HydrophobicContact CG2-CG1 4.05Å; I1269-L1281 WeakPolarHBondContact CA-O 3.39Å; I1269-I1282 HydrophobicContact CB-CG1 4.44Å; I1269-I1282 HydrophobicContact CD1-CG1 4.4Å; I1269-I1282 HydrophobicContact CG1-CB 4.35Å; I1269-I1282 HydrophobicContact CG1-CG1 3.85Å; I1269-I1282 HydrophobicContact CG1-CG2 4.05Å; I1269-I1282 HydrophobicContact CG2-CG1 4.08Å |
| 1270 | E | 81.2 | Confident | 78.4 | Confident | 90 Ų | 90 | 53.5 Ų | 53.5 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 165.6 | -179.7 | 63.7 | 177.3 | -179.6 | 0 | 0 | 112.4 | L1280 L1281 | E1270-L1280 CarbonylContact O-C 3.59Å; E1270-L1280 WeakPolarHBondContact O-CA 3.34Å; E1270-L1281 HydrophobicContact CG-CB 4.17Å; E1270-L1281 HydrophobicContact CG-CD2 4.34Å; E1270-L1281 HydrophobicContact CG-CG 4.45Å; E1270-L1281 PolarHBondContact N-O 2.92Å; E1270-L1281 PolarHBondContact O-N 3.34Å |
| 1271 | A | 78.5 | Confident | 79 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1280 | A1271-L1280 HydrophobicContact CB-CD2 4.24Å |
| 1272 | M | 72.9 | Confident | 79.6 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 19% | 0.187 | 25% | 0.251 | C | S | . | . | trans | -70 | 141 | -177.1 | -146.1 | -177.1 | -58.1 | 0 | 0 | 111.6 | V1171 C1276 C1279 L1281 | V1171-M1272 HydrophobicContact CB-CE 3.61Å; V1171-M1272 HydrophobicContact CG1-CE 4.02Å; V1171-M1272 HydrophobicContact CG2-CE 3.68Å; M1272-C1276 HydrophobicContact CE-CB 4.37Å; M1272-C1276 HydrophobicContact CG-CB 4.36Å; M1272-C1276 HydrophobicContact SD-CB 3.23Å; M1272-C1276 WeakPolarHBondContact SD-CB 3.22Å; M1272-C1279 WeakPolarHBondContact CB-O 3.4Å; M1272-C1279 HydrophobicContact CE-CB 4.13Å; M1272-C1279 PolarHBondContact N-O 2.96Å; M1272-L1281 HydrophobicContact CB-CB 4.39Å; M1272-L1281 HydrophobicContact CE-CB 4.03Å; M1272-L1281 HydrophobicContact CE-CD1 4.16Å; M1272-L1281 HydrophobicContact CG-CB 4.4Å | ||
| 1273 | K | 72.7 | Confident | 79.9 | Confident | 189 Ų | 189 | 45.2 Ų | 45.2 | 82% | 0.822 | 25% | 0.247 | S | C | * | . | trans | -114.4 | 154.9 | 176.6 | -64.4 | 177.9 | -177.3 | 172.9 | 0 | 110 | ||||
| 1274 | G | 66.9 | Low | 80.3 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 49% | 0.485 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 88 | -145.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | C1276 R1277 | G1274-C1276 PolarHBondContact O-N 3.47Å; G1274-R1277 VanDerWaalsContact O-CB 3.27Å; G1274-R1277 WeakPolarHBondContact O-CB 3.46Å; G1274-R1277 PolarHBondContact O-N 3.37Å |
| 1275 | P | 64.8 | Low | 80.4 | Confident | 80 Ų | 80 | 42 Ų | 42 | 52% | 0.519 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -4.6 | -171.3 | 24.1 | -32.7 | 0 | 0 | 0 | 115.5 | M1071 | M1071-P1275 WeakPolarHBondContact CA-O 3.37Å; M1071-P1275 WeakPolarHBondContact CE-O 3.42Å |
| 1276 | C | 68.8 | Low | 80.3 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 9% | 0.088 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 28.5 | 174.4 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | M1272 G1274 G1278 | M1272-C1276 HydrophobicContact CE-CB 4.37Å; M1272-C1276 HydrophobicContact CG-CB 4.36Å; M1272-C1276 HydrophobicContact SD-CB 3.23Å; M1272-C1276 WeakPolarHBondContact SD-CB 3.22Å; G1274-C1276 PolarHBondContact O-N 3.47Å; C1276-G1278 PolarHBondContact O-N 3.01Å |
| 1277 | R | 70.5 | Confident | 80.2 | Confident | 185 Ų | 185 | 44 Ų | 44 | 70% | 0.698 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 132.7 | 179.4 | -177.7 | -179.9 | -179.2 | -175 | -0.5 | 110.9 | M1071 G1274 | M1071-R1277 HydrophobicContact CE-CB 4.34Å; G1274-R1277 VanDerWaalsContact O-CB 3.27Å; G1274-R1277 WeakPolarHBondContact O-CB 3.46Å; G1274-R1277 PolarHBondContact O-N 3.37Å |
| 1278 | G | 68.4 | Low | 80.1 | Confident | 57 Ų | 57 | 44.8 Ų | 44.8 | 59% | 0.588 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 112.8 | -20.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | C1276 | C1276-G1278 PolarHBondContact O-N 3.01Š|
| 1279 | C | 79.4 | Confident | 80.3 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -84.2 | 149.5 | 173.6 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | G1168 V1171 M1272 | G1168-C1279 VanDerWaalsContact C-SG 3.57Å; G1168-C1279 PolarHBondContact O-SG 2.99Å; V1171-C1279 HydrophobicContact CG2-CB 4.21Å; M1272-C1279 WeakPolarHBondContact CB-O 3.4Å; M1272-C1279 HydrophobicContact CE-CB 4.13Å; M1272-C1279 PolarHBondContact N-O 2.96Å |
| 1280 | L | 84.6 | Confident | 80.6 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 127.1 | 163.6 | -74 | 170.8 | 0 | 0 | 0 | 109.3 | H1169 F1170 V1171 K1244 E1270 A1271 | H1169-L1280 PolarHBondContact O-N 2.87Å; F1170-L1280 WeakPolarHBondContact CA-O 3.18Å; F1170-L1280 HydrophobicContact CD1-CB 3.82Å; F1170-L1280 HydrophobicContact CD1-CD1 4.12Å; F1170-L1280 HydrophobicContact CE1-CB 4.23Å; F1170-L1280 HydrophobicContact CE1-CD1 3.65Å; V1171-L1280 PolarHBondContact N-O 3.38Å; K1244-L1280 HydrophobicContact CG-CD2 3.98Å; E1270-L1280 CarbonylContact O-C 3.59Å; E1270-L1280 WeakPolarHBondContact O-CA 3.34Å; A1271-L1280 HydrophobicContact CB-CD2 4.24Å |
| 1281 | L | 88.9 | Confident | 81 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 123.9 | 175.2 | 175.3 | 59.9 | 0 | 0 | 0 | 108.7 | V1171 I1173 I1269 E1270 M1272 I1283 | V1171-L1281 HydrophobicContact CG1-CD1 4.39Å; I1173-L1281 HydrophobicContact CB-CD1 4.32Å; I1173-L1281 HydrophobicContact CD1-CD1 3.44Å; I1173-L1281 VanDerWaalsContact CD1-CD1 3.44Å; I1173-L1281 HydrophobicContact CD1-CD2 4.46Å; I1173-L1281 HydrophobicContact CG1-CD1 3.59Å; I1269-L1281 WeakPolarHBondContact CA-O 3.39Å; E1270-L1281 HydrophobicContact CG-CB 4.17Å; E1270-L1281 HydrophobicContact CG-CD2 4.34Å; E1270-L1281 HydrophobicContact CG-CG 4.45Å; E1270-L1281 PolarHBondContact N-O 2.92Å; E1270-L1281 PolarHBondContact O-N 3.34Å; M1272-L1281 HydrophobicContact CB-CB 4.39Å; M1272-L1281 HydrophobicContact CE-CB 4.03Å; M1272-L1281 HydrophobicContact CE-CD1 4.16Å; M1272-L1281 HydrophobicContact CG-CB 4.4Å; L1281-I1283 HydrophobicContact CD1-CG1 4.22Å; L1281-I1283 HydrophobicContact CD2-CD1 3.89Å; L1281-I1283 HydrophobicContact CD2-CG1 4.04Å; L1281-I1283 HydrophobicContact CG-CD1 4.2Å; L1281-I1283 HydrophobicContact CG-CG1 3.79Å |
| 1282 | I | 90 | Very high | 81.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 116.2 | 176.6 | -58.5 | 100.6 | 0 | 0 | 0 | 108 | F1170 V1171 F1172 I1173 L1242 I1267 N1268 I1269 F1284 | F1170-I1282 HydrophobicContact CB-CD1 3.78Å; F1170-I1282 HydrophobicContact CD1-CD1 3.88Å; F1170-I1282 HydrophobicContact CG-CD1 4.26Å; V1171-I1282 PolarHBondContact O-N 2.73Å; F1172-I1282 CarbonylContact C-O 3.57Å; F1172-I1282 WeakPolarHBondContact CA-O 3.17Å; F1172-I1282 HydrophobicContact CD1-CB 3.47Å; F1172-I1282 VanDerWaalsContact CD1-CB 3.47Å; F1172-I1282 HydrophobicContact CD1-CD1 4.02Å; F1172-I1282 HydrophobicContact CD1-CG1 4.17Å; F1172-I1282 HydrophobicContact CD1-CG2 3.63Å; F1172-I1282 HydrophobicContact CE1-CB 3.64Å; F1172-I1282 HydrophobicContact CE1-CD1 3.73Å; F1172-I1282 HydrophobicContact CE1-CG1 3.89Å; F1172-I1282 HydrophobicContact CE1-CG2 3.64Å; I1173-I1282 PolarHBondContact N-O 2.57Å; L1242-I1282 HydrophobicContact CD2-CD1 4.5Å; L1242-I1282 HydrophobicContact CD2-CG1 4.26Å; I1267-I1282 HydrophobicContact CG2-CG2 3.86Å; N1268-I1282 WeakPolarHBondContact O-CA 3.41Å; I1269-I1282 HydrophobicContact CB-CG1 4.44Å; I1269-I1282 HydrophobicContact CD1-CG1 4.4Å; I1269-I1282 HydrophobicContact CG1-CB 4.35Å; I1269-I1282 HydrophobicContact CG1-CG1 3.85Å; I1269-I1282 HydrophobicContact CG1-CG2 4.05Å; I1269-I1282 HydrophobicContact CG2-CG1 4.08Å; I1282-F1284 HydrophobicContact CG2-CE1 3.99Å; I1282-F1284 HydrophobicContact CG2-CE2 4.37Å; I1282-F1284 HydrophobicContact CG2-CZ 3.87Å |
| 1283 | I | 89.4 | Confident | 82.3 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.062 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 117.7 | -177 | -49 | 178.4 | 0 | 0 | 0 | 107.9 | I1173 R1175 N1268 L1281 T1285 | I1173-I1283 WeakPolarHBondContact O-CA 3.28Å; R1175-I1283 HydrophobicContact CG-CG2 4.13Å; N1268-I1283 PolarHBondContact N-O 2.97Å; N1268-I1283 PolarHBondContact O-N 3.43Å; L1281-I1283 HydrophobicContact CD1-CG1 4.22Å; L1281-I1283 HydrophobicContact CD2-CD1 3.89Å; L1281-I1283 HydrophobicContact CD2-CG1 4.04Å; L1281-I1283 HydrophobicContact CG-CD1 4.2Å; L1281-I1283 HydrophobicContact CG-CG1 3.79Å; I1283-T1285 HydrophobicContact CG2-CG2 3.81Å |
| 1284 | F | 91.6 | Very high | 83 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.8 | 168.4 | -56.2 | -65.9 | 0 | 0 | 0 | 108.8 | F1172 I1173 R1175 T1176 I1180 I1182 M1222 F1240 I1265 G1266 I1267 I1282 | F1172-F1284 HydrophobicContact CB-CE2 3.97Å; F1172-F1284 AromaticContact CD1-CE2 3.46Å; F1172-F1284 HydrophobicContact CD1-CE2 3.46Å; F1172-F1284 VanDerWaalsContact CD1-CE2 3.46Å; F1172-F1284 AromaticContact CD1-CZ 3.57Å; F1172-F1284 HydrophobicContact CD1-CZ 3.57Å; F1172-F1284 HydrophobicContact CE1-CE2 4.16Å; F1172-F1284 AromaticContact CE1-CZ 3.78Å; F1172-F1284 HydrophobicContact CE1-CZ 3.78Å; F1172-F1284 AromaticContact CG-CE2 3.81Å; F1172-F1284 HydrophobicContact CG-CE2 3.81Å; F1172-F1284 HydrophobicContact CG-CZ 4.27Å; I1173-F1284 PolarHBondContact O-N 3.31Å; R1175-F1284 CarbonylContact C-O 3.5Å; R1175-F1284 VanDerWaalsContact CA-O 3.29Å; R1175-F1284 WeakPolarHBondContact CA-O 3.34Å; R1175-F1284 WeakPolarHBondContact CB-O 3.41Å; R1175-F1284 PolarHBondContact N-O 3.09Å; T1176-F1284 HydrophobicContact CG2-CB 3.79Å; I1180-F1284 HydrophobicContact CD1-CB 4.19Å; I1180-F1284 HydrophobicContact CD1-CG 4.48Å; I1182-F1284 HydrophobicContact CD1-CD2 4.43Å; I1182-F1284 HydrophobicContact CD1-CE2 3.39Å; I1182-F1284 HydrophobicContact CD1-CZ 3.75Å; I1182-F1284 HydrophobicContact CG1-CE2 4.43Å; M1222-F1284 HydrophobicContact CE-CD1 3.78Å; M1222-F1284 HydrophobicContact CE-CE1 3.56Å; M1222-F1284 HydrophobicContact SD-CD1 4.36Å; M1222-F1284 HydrophobicContact SD-CE1 4.33Å; F1240-F1284 HydrophobicContact CE2-CE1 4.29Å; F1240-F1284 AromaticContact CZ-CE1 3.98Å; F1240-F1284 HydrophobicContact CZ-CE1 3.98Å; F1240-F1284 HydrophobicContact CZ-CZ 4.26Å; I1265-F1284 HydrophobicContact CG2-CB 4.05Å; I1265-F1284 HydrophobicContact CG2-CD1 4.16Å; G1266-F1284 CarbonylContact O-C 3.55Å; G1266-F1284 WeakPolarHBondContact O-CA 3.41Å; I1267-F1284 HydrophobicContact CD1-CE1 4.48Å; I1267-F1284 HydrophobicContact CG1-CD1 4.07Å; I1267-F1284 HydrophobicContact CG1-CE1 4.2Å; I1267-F1284 HydrophobicContact CG2-CD1 4.32Å; I1267-F1284 HydrophobicContact CG2-CE1 4.07Å; I1282-F1284 HydrophobicContact CG2-CE1 3.99Å; I1282-F1284 HydrophobicContact CG2-CE2 4.37Å; I1282-F1284 HydrophobicContact CG2-CZ 3.87Å |
| 1285 | T | 88 | Confident | 83.8 | Confident | 14 Ų | 14 | 34.3 Ų | 34.3 | 9% | 0.086 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 153 | -178.7 | 58.8 | 0 | 0 | 0 | 0 | 110.6 | G1266 I1283 M1378 | G1266-T1285 PolarHBondContact N-O 3.08Å; G1266-T1285 PolarHBondContact O-N 2.9Å; G1266-T1285 PolarHBondContact O-OG1 3.19Å; I1283-T1285 HydrophobicContact CG2-CG2 3.81Å; T1285-M1378 HydrophobicContact CG2-CE 3.86Å |
| 1286 | C | 85.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 154.8 | 164.5 | 63.5 | 0 | 0 | 0 | 0 | 110.4 | Y1288 M1320 | C1286-Y1288 PolarHBondContact SG-O 3.47Å; C1286-M1320 HydrophobicContact CB-CB 4.31Å; C1286-M1320 HydrophobicContact CB-SD 4.49Å |
| 1287 | R | 84.6 | Confident | 85.8 | Confident | 44 Ų | 44 | 34.3 Ų | 34.3 | 17% | 0.166 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -71.1 | -31.6 | 178 | -172.9 | 59 | 165 | 143.8 | -2.4 | 113 | H1264 A1377 Y1379 | H1264-R1287 HydrophobicContact CB-CB 3.71Å; H1264-R1287 HydrophobicContact CB-CG 4.15Å; H1264-R1287 WeakPolarHBondContact O-CB 3.47Å; H1264-R1287 PolarHBondContact O-N 2.97Å; R1287-A1377 PolarHBondContact NH1-O 2.98Å; R1287-Y1379 HydrophobicContact CG-CD2 4.33Å; R1287-Y1379 PolarHBondContact O-N 3.26Å |
| 1288 | Y | 87.3 | Confident | 86.7 | Confident | 16 Ų | 16 | 25.5 Ų | 25.5 | 6% | 0.063 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 126.9 | -178.6 | -53.7 | -87.3 | 0 | 0 | 0 | 110.9 | C1286 W1321 L1323 V1348 Y1379 | C1286-Y1288 PolarHBondContact SG-O 3.47Å; Y1288-W1321 HydrophobicContact CG-CE3 4.39Å; Y1288-W1321 PolarHBondContact O-N 3.04Å; Y1288-L1323 HydrophobicContact CD2-CD1 4.32Å; Y1288-L1323 HydrophobicContact CD2-CG 4.24Å; Y1288-L1323 HydrophobicContact CE2-CD1 3.54Å; Y1288-L1323 HydrophobicContact CE2-CG 3.95Å; Y1288-V1348 HydrophobicContact CD1-CB 4.43Å; Y1288-V1348 HydrophobicContact CE1-CB 4.33Å; Y1288-Y1379 WeakPolarHBondContact CA-O 3.39Å; Y1288-Y1379 HydrophobicContact CD1-CD2 4.09Å; Y1288-Y1379 HydrophobicContact CD1-CG 4.32Å; Y1288-Y1379 AromaticContact CE1-CD2 3.66Å; Y1288-Y1379 HydrophobicContact CE1-CD2 3.66Å; Y1288-Y1379 HydrophobicContact CE1-CE2 4.37Å; Y1288-Y1379 HydrophobicContact CE1-CG 4.2Å |
| 1289 | L | 88.9 | Confident | 87.7 | Confident | 22 Ų | 22 | 25 Ų | 25 | 12% | 0.115 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.6 | 172 | 176.3 | 70.7 | 0 | 0 | 0 | 108.6 | V1291 M1320 M1378 Y1379 R1380 V1381 | L1289-V1291 HydrophobicContact CD2-CG2 4.04Å; L1289-V1291 HydrophobicContact CG-CG2 4Å; L1289-M1320 HydrophobicContact CD1-CG 4.2Å; L1289-M1378 HydrophobicContact CB-CE 4.34Å; L1289-M1378 HydrophobicContact CB-CG 3.8Å; L1289-M1378 HydrophobicContact CB-SD 3.32Å; L1289-M1378 WeakPolarHBondContact CB-SD 3.43Å; L1289-M1378 HydrophobicContact CD2-CE 4.45Å; L1289-M1378 HydrophobicContact CD2-SD 3.47Å; L1289-M1378 WeakPolarHBondContact CD2-SD 3.33Å; L1289-M1378 HydrophobicContact CG-SD 3.99Å; L1289-Y1379 PolarHBondContact N-O 3.08Å; L1289-R1380 HydrophobicContact CD2-CG 4.4Å; L1289-R1380 WeakPolarHBondContact O-CA 3.07Å; L1289-V1381 PolarHBondContact O-N 3.21Å |
| 1290 | L | 90.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 128.4 | 176 | -51.5 | -177 | 0 | 0 | 0 | 108.3 | V1300 L1311 V1313 S1318 S1319 W1321 M1332 V1381 F1383 | L1290-V1300 HydrophobicContact CD1-CB 4.18Å; L1290-V1300 HydrophobicContact CD1-CG1 3.98Å; L1290-V1300 HydrophobicContact CD1-CG2 4.04Å; L1290-L1311 HydrophobicContact CD1-CD2 3.84Å; L1290-V1313 HydrophobicContact CB-CG2 4.23Å; L1290-V1313 HydrophobicContact CD1-CG2 4.16Å; L1290-S1318 CarbonylContact O-C 3.5Å; L1290-S1318 WeakPolarHBondContact O-CA 3.23Å; L1290-S1318 WeakPolarHBondContact O-CB 3.45Å; L1290-S1319 PolarHBondContact N-O 2.85Å; L1290-S1319 PolarHBondContact O-N 2.88Å; L1290-W1321 HydrophobicContact CD1-CB 3.75Å; L1290-W1321 HydrophobicContact CD1-CD2 4.28Å; L1290-W1321 HydrophobicContact CD1-CG 3.91Å; L1290-W1321 HydrophobicContact CD2-CB 4.36Å; L1290-W1321 HydrophobicContact CD2-CE3 4.39Å; L1290-W1321 HydrophobicContact CG-CB 3.8Å; L1290-W1321 HydrophobicContact CG-CG 4.41Å; L1290-M1332 HydrophobicContact CD1-CE 4.36Å; L1290-M1332 HydrophobicContact CD2-CE 3.51Å; L1290-V1381 WeakPolarHBondContact CA-O 3.45Å; L1290-V1381 HydrophobicContact CD2-CB 3.88Å; L1290-V1381 HydrophobicContact CD2-CG1 4.46Å; L1290-V1381 HydrophobicContact CD2-CG2 4.12Å; L1290-F1383 HydrophobicContact CB-CE2 4.23Å; L1290-F1383 HydrophobicContact CD2-CE2 4.4Å |
| 1291 | V | 89.8 | Confident | 88.3 | Confident | 22 Ų | 22 | 25.1 Ų | 25.1 | 13% | 0.133 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 116.8 | 179.2 | -175.5 | 0 | 0 | 0 | 0 | 107.8 | L1289 E1293 R1380 V1381 K1382 F1383 | L1289-V1291 HydrophobicContact CD2-CG2 4.04Å; L1289-V1291 HydrophobicContact CG-CG2 4Å; V1291-E1293 HydrophobicContact CG1-CG 4.03Å; V1291-R1380 HydrophobicContact CG2-CG 3.82Å; V1291-V1381 PolarHBondContact N-O 2.85Å; V1291-K1382 HydrophobicContact CB-CG 4.2Å; V1291-K1382 CarbonylContact O-C 3.28Å; V1291-K1382 WeakPolarHBondContact O-CA 3.32Å; V1291-F1383 PolarHBondContact O-N 3.33Å |
| 1292 | N | 92.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 105.5 | 175.5 | -176.9 | 5.1 | 0 | 0 | 0 | 108.7 | S1294 Y1296 I1298 V1313 S1314 H1316 G1317 | N1292-S1294 WeakPolarHBondContact OD1-CA 3.34Å; N1292-S1294 VanDerWaalsContact OD1-CB 3.31Å; N1292-S1294 WeakPolarHBondContact OD1-CB 3.23Å; N1292-S1294 PolarHBondContact OD1-N 2.58Å; N1292-S1294 PolarHBondContact OD1-O 2.98Å; N1292-S1294 PolarHBondContact OD1-OG 2.87Å; N1292-Y1296 PolarHBondContact ND2-O 3.12Å; N1292-I1298 HydrophobicContact CB-CD1 4.1Å; N1292-I1298 VanDerWaalsContact CG-CD1 3.41Å; N1292-I1298 WeakPolarHBondContact ND2-CG1 3.35Å; N1292-I1298 VanDerWaalsContact OD1-CD1 3.3Å; N1292-I1298 WeakPolarHBondContact OD1-CD1 3.29Å; N1292-V1313 HydrophobicContact CB-CB 4.38Å; N1292-V1313 HydrophobicContact CB-CG1 3.63Å; N1292-V1313 PolarHBondContact ND2-O 2.81Å; N1292-S1314 WeakPolarHBondContact CB-O 3.38Å; N1292-S1314 PolarHBondContact ND2-O 3.09Å; N1292-S1314 VanDerWaalsContact ND2-O 3.16Å; N1292-H1316 CarbonylContact O-C 3.58Å; N1292-H1316 VanDerWaalsContact O-C 3.23Å; N1292-H1316 WeakPolarHBondContact O-CA 3.42Å; N1292-H1316 PolarHBondContact O-N 2.84Å; N1292-G1317 PolarHBondContact N-O 3.02Å; N1292-G1317 PolarHBondContact O-N 2.88Å |
| 1293 | E | 86 | Confident | 87.3 | Confident | 90 Ų | 90 | 25.6 Ų | 25.6 | 42% | 0.421 | 13% | 0.128 | S | C | . | . | trans | -98 | 5.3 | 170.8 | -62.9 | -177.9 | -177.3 | 0 | 0 | 111.6 | V1291 H1316 K1382 F1383 | V1291-E1293 HydrophobicContact CG1-CG 4.03Å; E1293-H1316 PolarHBondContact O-CE1 2.82Å; E1293-K1382 IonicContact OE1-NZ 3.51Å; E1293-K1382 PolarHBondContact OE1-NZ 2.76Å; E1293-F1383 CarbonylContact C-O 3.6Å; E1293-F1383 WeakPolarHBondContact CA-O 3.22Å; E1293-F1383 WeakPolarHBondContact CB-O 3.07Å; E1293-F1383 PolarHBondContact N-O 2.71Å | ||
| 1294 | S | 86.3 | Confident | 86.2 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -85.1 | 169.8 | 175.2 | 86.9 | 0 | 0 | 0 | 0 | 111.9 | N1292 Y1296 H1316 F1383 | N1292-S1294 WeakPolarHBondContact OD1-CA 3.34Å; N1292-S1294 VanDerWaalsContact OD1-CB 3.31Å; N1292-S1294 WeakPolarHBondContact OD1-CB 3.23Å; N1292-S1294 PolarHBondContact OD1-N 2.58Å; N1292-S1294 PolarHBondContact OD1-O 2.98Å; N1292-S1294 PolarHBondContact OD1-OG 2.87Å; S1294-Y1296 VanDerWaalsContact C-N 3.34Å; S1294-Y1296 PolarHBondContact OG-N 2.88Å; S1294-Y1296 PolarHBondContact OG-O 3.37Å; S1294-H1316 PolarHBondContact O-N 2.89Å; S1294-F1383 PolarHBondContact N-O 2.95Å |
| 1295 | V | 84.9 | Confident | 84.4 | Confident | 103 Ų | 103 | 33.3 Ų | 33.3 | 62% | 0.624 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -85 | -8.1 | 177.1 | -66 | 0 | 0 | 0 | 0 | 113.4 | P1315 | V1295-P1315 WeakPolarHBondContact O-CG 3.39Š|
| 1296 | Y | 86.5 | Confident | 82.8 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 16% | 0.157 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -96.1 | 150.1 | -174.9 | -53.7 | -73 | 0 | 0 | 0 | 110.8 | N1292 S1294 L1336 H1366 | N1292-Y1296 PolarHBondContact ND2-O 3.12Å; S1294-Y1296 VanDerWaalsContact C-N 3.34Å; S1294-Y1296 PolarHBondContact OG-N 2.88Å; S1294-Y1296 PolarHBondContact OG-O 3.37Å; Y1296-L1336 VanDerWaalsContact CB-CD2 3.41Å; Y1296-L1336 HydrophobicContact CD2-CD1 4.28Å; Y1296-L1336 HydrophobicContact CD2-CD2 3.94Å; Y1296-L1336 HydrophobicContact CG-CD1 4.34Å; Y1296-L1336 HydrophobicContact CG-CD2 3.86Å; Y1296-L1336 HydrophobicContact CG-CG 4.46Å; Y1296-H1366 AromaticContact CZ-ND1 3.68Å; Y1296-H1366 PolarHBondContact OH-ND1 2.87Å; Y1296-H1366 VanDerWaalsContact OH-ND1 3.15Å |
| 1297 | D | 88.1 | Confident | 81.4 | Confident | 54 Ų | 54 | 41 Ų | 41 | 29% | 0.289 | 21% | 0.207 | S | C | . | . | trans | -64.1 | 144.8 | 160.5 | -88.3 | -65.4 | 0 | 0 | 0 | 108.8 | F1299 Q1312 S1314 P1315 L1336 | D1297-F1299 HydrophobicContact CB-CE2 4.49Å; D1297-Q1312 PolarHBondContact OD1-NE2 2.83Å; D1297-S1314 WeakPolarHBondContact OD1-CA 3.3Å; D1297-P1315 WeakPolarHBondContact OD1-CD 3.27Å; D1297-L1336 CarbonylContact C-O 3.47Å; D1297-L1336 CarbonylContact O-C 2.79Å; D1297-L1336 VanDerWaalsContact O-C 3.3Å; D1297-L1336 WeakPolarHBondContact O-CA 3.34Å | ||
| 1298 | I | 89.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 116.7 | -179.3 | -62.6 | -177.8 | 0 | 0 | 0 | 109.2 | N1292 V1300 Q1312 V1313 I1334 L1336 L1368 F1383 | N1292-I1298 HydrophobicContact CB-CD1 4.1Å; N1292-I1298 VanDerWaalsContact CG-CD1 3.41Å; N1292-I1298 WeakPolarHBondContact ND2-CG1 3.35Å; N1292-I1298 VanDerWaalsContact OD1-CD1 3.3Å; N1292-I1298 WeakPolarHBondContact OD1-CD1 3.29Å; I1298-V1300 HydrophobicContact CG2-CG2 3.79Å; I1298-Q1312 CarbonylContact O-C 3.54Å; I1298-V1313 HydrophobicContact CB-CB 4.42Å; I1298-V1313 PolarHBondContact N-O 3.1Å; I1298-V1313 PolarHBondContact O-N 2.81Å; I1298-I1334 HydrophobicContact CG2-CG2 3.45Å; I1298-I1334 VanDerWaalsContact CG2-CG2 3.45Å; I1298-L1336 HydrophobicContact CD1-CD2 4.49Å; I1298-L1336 HydrophobicContact CG1-CD2 3.87Å; I1298-L1368 HydrophobicContact CD1-CD1 4.38Å; I1298-L1368 HydrophobicContact CD1-CD2 4.21Å; I1298-F1383 HydrophobicContact CD1-CB 3.49Å; I1298-F1383 VanDerWaalsContact CD1-CB 3.49Å; I1298-F1383 HydrophobicContact CD1-CD2 3.95Å; I1298-F1383 HydrophobicContact CD1-CG 3.75Å |
| 1299 | F | 90.1 | Very high | 79.5 | Confident | 46 Ų | 46 | 48.4 Ų | 48.4 | 20% | 0.202 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.8 | 171.5 | -59.8 | -84.4 | 0 | 0 | 0 | 109.9 | D1297 I1310 L1311 Q1312 I1334 K1335 W1342 | D1297-F1299 HydrophobicContact CB-CE2 4.49Å; F1299-I1310 HydrophobicContact CB-CG2 3.9Å; F1299-I1310 HydrophobicContact CD1-CG2 3.9Å; F1299-I1310 HydrophobicContact CG-CG2 4.37Å; F1299-L1311 CarbonylContact C-O 3.59Å; F1299-L1311 WeakPolarHBondContact CA-O 3.44Å; F1299-Q1312 HydrophobicContact CD1-CB 3.95Å; F1299-Q1312 HydrophobicContact CD1-CG 4.08Å; F1299-Q1312 HydrophobicContact CE1-CB 3.87Å; F1299-Q1312 HydrophobicContact CE1-CG 3.7Å; F1299-Q1312 HydrophobicContact CZ-CG 4.17Å; F1299-I1334 CarbonylContact O-C 3.29Å; F1299-I1334 VanDerWaalsContact O-CA 3.27Å; F1299-I1334 WeakPolarHBondContact O-CA 3.08Å; F1299-K1335 HydrophobicContact CB-CB 4.26Å; F1299-K1335 PolarHBondContact N-O 2.74Å; F1299-K1335 PolarHBondContact O-N 2.79Å; F1299-W1342 HydrophobicContact CB-CH2 3.78Å; F1299-W1342 HydrophobicContact CB-CZ3 4.31Å; F1299-W1342 WeakPolarHBondContact O-CZ3 3.37Å |
| 1300 | V | 89.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 134.3 | -174.2 | -177.4 | 0 | 0 | 0 | 0 | 110 | L1290 I1298 L1311 V1313 W1321 M1332 I1334 | L1290-V1300 HydrophobicContact CD1-CB 4.18Å; L1290-V1300 HydrophobicContact CD1-CG1 3.98Å; L1290-V1300 HydrophobicContact CD1-CG2 4.04Å; I1298-V1300 HydrophobicContact CG2-CG2 3.79Å; V1300-L1311 PolarHBondContact N-O 2.78Å; V1300-L1311 PolarHBondContact O-N 3.24Å; V1300-V1313 HydrophobicContact CG2-CG2 4.38Å; V1300-W1321 HydrophobicContact CG1-CZ2 4.23Å; V1300-M1332 HydrophobicContact CG1-CE 3.79Å; V1300-M1332 HydrophobicContact CG1-CG 3.56Å; V1300-M1332 HydrophobicContact CG1-SD 3.66Å; V1300-I1334 HydrophobicContact CG2-CG1 4.35Å |
| 1301 | R | 87.1 | Confident | 78.9 | Confident | 45 Ų | 45 | 53.9 Ų | 53.9 | 17% | 0.17 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 158.3 | 173.2 | 71.2 | -178.4 | -176.6 | 159.2 | 0.7 | 111.8 | D1306 S1333 W1342 | R1301-D1306 IonicContact NH1-OD1 2.93Å; R1301-D1306 PolarHBondContact NH1-OD1 3.01Å; R1301-D1306 VanDerWaalsContact NH1-OD1 3.12Å; R1301-S1333 WeakPolarHBondContact CG-OG 3.31Å; R1301-S1333 PolarHBondContact N-O 2.86Å; R1301-S1333 PolarHBondContact NE-OG 3.42Å; R1301-S1333 VanDerWaalsContact NE-OG 3.09Å; R1301-S1333 PolarHBondContact O-N 2.95Å; R1301-W1342 HydrophobicContact CB-CH2 4.33Å; R1301-W1342 HydrophobicContact CB-CZ3 4.33Å; R1301-W1342 HydrophobicContact CG-CE3 4.07Å; R1301-W1342 HydrophobicContact CG-CH2 4.08Å; R1301-W1342 HydrophobicContact CG-CZ3 3.77Å |
| 1302 | Q | 85.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 119.6 | 168.8 | -169.2 | 177.1 | 8.1 | 0 | 0 | 108.5 | T1304 W1321 F1325 P1329 L1331 | Q1302-T1304 VanDerWaalsContact C-N 3.27Å; Q1302-T1304 PolarHBondContact O-N 3.24Å; Q1302-W1321 HydrophobicContact CB-CZ2 4.25Å; Q1302-F1325 PolarHBondContact NE2-O 2.99Å; Q1302-F1325 PolarHBondContact OE1-O 2.77Å; Q1302-P1329 PolarHBondContact NE2-O 2.78Å; Q1302-P1329 VanDerWaalsContact NE2-O 3.16Å; Q1302-L1331 VanDerWaalsContact CA-O 3.3Å; Q1302-L1331 WeakPolarHBondContact CA-O 3.38Å; Q1302-L1331 WeakPolarHBondContact CG-O 3.33Å |
| 1303 | S | 73.1 | Confident | 78.6 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -13.1 | -165 | 57 | 0 | 0 | 0 | 0 | 115.5 | K1305 L1331 E1345 | S1303-K1305 VanDerWaalsContact C-N 3.28Å; S1303-K1305 PolarHBondContact O-N 2.84Å; S1303-L1331 PolarHBondContact N-O 2.85Å; S1303-L1331 VanDerWaalsContact N-O 3.12Å; S1303-L1331 WeakPolarHBondContact OG-CB 3.4Å; S1303-E1345 WeakPolarHBondContact CB-OE2 3.34Å; S1303-E1345 VanDerWaalsContact OG-CB 3.22Å; S1303-E1345 WeakPolarHBondContact OG-CB 3.11Å; S1303-E1345 PolarHBondContact OG-OE2 2.79Å |
| 1304 | T | 64.8 | Low | 78.8 | Confident | 45 Ų | 45 | 56.1 Ų | 56.1 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -10.7 | -165.7 | 47.5 | 0 | 0 | 0 | 0 | 115.3 | Q1302 L1328 L1331 | Q1302-T1304 VanDerWaalsContact C-N 3.27Å; Q1302-T1304 PolarHBondContact O-N 3.24Å; T1304-L1328 HydrophobicContact CG2-CB 4.31Å; T1304-L1328 WeakPolarHBondContact OG1-CD1 3.5Å; T1304-L1331 HydrophobicContact CG2-CB 4.36Å; T1304-L1331 HydrophobicContact CG2-CD1 3.81Å |
| 1305 | K | 55 | Low | 78.9 | Confident | 131 Ų | 131 | 58.3 Ų | 58.3 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -150.7 | 143.6 | 170.1 | -71.1 | -169.7 | 176.6 | -176.9 | 0 | 110.2 | S1303 T1307 | S1303-K1305 VanDerWaalsContact C-N 3.28Å; S1303-K1305 PolarHBondContact O-N 2.84Å; K1305-T1307 VanDerWaalsContact C-N 3.33Å; K1305-T1307 HydrophobicContact CB-CG2 3.57Å; K1305-T1307 PolarHBondContact O-N 2.82Å; K1305-T1307 PolarHBondContact O-OG1 3.14Å |
| 1306 | D | 53.4 | Low | 78.8 | Confident | 151 Ų | 151 | 60 Ų | 60 | 81% | 0.807 | 31% | 0.313 | S | S | * | . | trans | -60.8 | 101 | 164 | -95.8 | -23.8 | 0 | 0 | 0 | 107.8 | R1301 | R1301-D1306 IonicContact NH1-OD1 2.93Å; R1301-D1306 PolarHBondContact NH1-OD1 3.01Å; R1301-D1306 VanDerWaalsContact NH1-OD1 3.12Å | ||
| 1307 | T | 57 | Low | 78.8 | Confident | 25 Ų | 25 | 59.2 Ų | 59.2 | 15% | 0.153 | 32% | 0.318 | C | S | . | . | trans | -131.8 | 136.1 | -172.3 | 45.9 | 0 | 0 | 0 | 0 | 107.6 | K1305 S1309 F1325 | K1305-T1307 VanDerWaalsContact C-N 3.33Å; K1305-T1307 HydrophobicContact CB-CG2 3.57Å; K1305-T1307 PolarHBondContact O-N 2.82Å; K1305-T1307 PolarHBondContact O-OG1 3.14Å; T1307-S1309 PolarHBondContact O-N 3.12Å; T1307-S1309 VanDerWaalsContact O-N 3.09Å; T1307-S1309 PolarHBondContact OG1-OG 2.52Å; T1307-F1325 HydrophobicContact CG2-CE2 3.56Å; T1307-F1325 HydrophobicContact CG2-CZ 3.86Å | ||
| 1308 | D | 61.4 | Low | 78.7 | Confident | 169 Ų | 169 | 60.4 Ų | 60.4 | 90% | 0.904 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -70.6 | 1.1 | 177.7 | -64.8 | -31 | 0 | 0 | 0 | 112.9 | I1310 | D1308-I1310 VanDerWaalsContact C-N 3.32Å; D1308-I1310 PolarHBondContact O-N 3.48Å |
| 1309 | S | 71 | Confident | 78.4 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 32% | 0.315 | 34% | 0.339 | S | S | . | . | trans | -80.3 | 75.4 | -179.5 | 59.4 | 0 | 0 | 0 | 0 | 112 | T1307 | T1307-S1309 PolarHBondContact O-N 3.12Å; T1307-S1309 VanDerWaalsContact O-N 3.09Å; T1307-S1309 PolarHBondContact OG1-OG 2.52Å | ||
| 1310 | I | 79.8 | Confident | 78 | Confident | 86 Ų | 86 | 62.6 Ų | 62.6 | 44% | 0.441 | 35% | 0.345 | S | S | . | . | trans | -97.1 | 131.9 | 176.5 | -60.8 | 165.3 | 0 | 0 | 0 | 109.8 | F1299 D1308 W1342 | F1299-I1310 HydrophobicContact CB-CG2 3.9Å; F1299-I1310 HydrophobicContact CD1-CG2 3.9Å; F1299-I1310 HydrophobicContact CG-CG2 4.37Å; D1308-I1310 VanDerWaalsContact C-N 3.32Å; D1308-I1310 PolarHBondContact O-N 3.48Å; I1310-W1342 HydrophobicContact CD1-CH2 4.42Å; I1310-W1342 HydrophobicContact CD1-CZ2 3.92Å; I1310-W1342 HydrophobicContact CG1-CH2 4.25Å; I1310-W1342 HydrophobicContact CG1-CZ2 4.2Å; I1310-W1342 HydrophobicContact CG2-CH2 4.02Å; I1310-W1342 HydrophobicContact CG2-CZ2 4.5Å | ||
| 1311 | L | 85.4 | Confident | 77.7 | Confident | 51 Ų | 51 | 63 Ų | 63 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 124.7 | 172.9 | -179.4 | 71.2 | 0 | 0 | 0 | 109.9 | L1290 F1299 V1300 V1313 W1321 | L1290-L1311 HydrophobicContact CD1-CD2 3.84Å; F1299-L1311 CarbonylContact C-O 3.59Å; F1299-L1311 WeakPolarHBondContact CA-O 3.44Å; V1300-L1311 PolarHBondContact N-O 2.78Å; V1300-L1311 PolarHBondContact O-N 3.24Å; L1311-V1313 HydrophobicContact CD2-CG2 4.41Å; L1311-V1313 HydrophobicContact CG-CG2 4.48Å; L1311-W1321 HydrophobicContact CD2-CB 4.13Å; L1311-W1321 HydrophobicContact CD2-CG 4.11Å |
| 1312 | Q | 87.8 | Confident | 77.2 | Confident | 96 Ų | 96 | 63.1 Ų | 63.1 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133.3 | 171.6 | -174.1 | -178.8 | -7.2 | 0 | 0 | 110.8 | D1297 I1298 F1299 | D1297-Q1312 PolarHBondContact OD1-NE2 2.83Å; I1298-Q1312 CarbonylContact O-C 3.54Å; F1299-Q1312 HydrophobicContact CD1-CB 3.95Å; F1299-Q1312 HydrophobicContact CD1-CG 4.08Å; F1299-Q1312 HydrophobicContact CE1-CB 3.87Å; F1299-Q1312 HydrophobicContact CE1-CG 3.7Å; F1299-Q1312 HydrophobicContact CZ-CG 4.17Å |
| 1313 | V | 89 | Confident | 76.6 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 105.3 | 175.3 | -168.3 | 0 | 0 | 0 | 0 | 108.7 | L1290 N1292 I1298 V1300 L1311 | L1290-V1313 HydrophobicContact CB-CG2 4.23Å; L1290-V1313 HydrophobicContact CD1-CG2 4.16Å; N1292-V1313 HydrophobicContact CB-CB 4.38Å; N1292-V1313 HydrophobicContact CB-CG1 3.63Å; N1292-V1313 PolarHBondContact ND2-O 2.81Å; I1298-V1313 HydrophobicContact CB-CB 4.42Å; I1298-V1313 PolarHBondContact N-O 3.1Å; I1298-V1313 PolarHBondContact O-N 2.81Å; V1300-V1313 HydrophobicContact CG2-CG2 4.38Å; L1311-V1313 HydrophobicContact CD2-CG2 4.41Å; L1311-V1313 HydrophobicContact CG-CG2 4.48Å |
| 1314 | S | 90.1 | Very high | 76.4 | Confident | 64 Ų | 64 | 64 Ų | 64 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | trans | -63.2 | 156.5 | -177 | -51.1 | 0 | 0 | 0 | 0 | 113.5 | N1292 D1297 H1316 G1317 | N1292-S1314 WeakPolarHBondContact CB-O 3.38Å; N1292-S1314 PolarHBondContact ND2-O 3.09Å; N1292-S1314 VanDerWaalsContact ND2-O 3.16Å; D1297-S1314 WeakPolarHBondContact OD1-CA 3.3Å; S1314-H1316 PolarHBondContact O-N 2.95Å; S1314-G1317 WeakPolarHBondContact O-CA 3.17Å; S1314-G1317 PolarHBondContact O-N 2.93Å | ||
| 1315 | P | 87.8 | Confident | 76.7 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 32% | 0.318 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 136 | 176.1 | -23.2 | 29.5 | 0 | 0 | 0 | 112.1 | V1295 D1297 G1317 | V1295-P1315 WeakPolarHBondContact O-CG 3.39Å; D1297-P1315 WeakPolarHBondContact OD1-CD 3.27Å; P1315-G1317 PolarHBondContact O-N 3.42Å |
| 1316 | H | 83.7 | Confident | 77.3 | Confident | 138 Ų | 138 | 60.3 Ų | 60.3 | 64% | 0.639 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 12.8 | -174.9 | -55.8 | -53.6 | 0 | 0 | 0 | 115 | N1292 E1293 S1294 S1314 | N1292-H1316 CarbonylContact O-C 3.58Å; N1292-H1316 VanDerWaalsContact O-C 3.23Å; N1292-H1316 WeakPolarHBondContact O-CA 3.42Å; N1292-H1316 PolarHBondContact O-N 2.84Å; E1293-H1316 PolarHBondContact O-CE1 2.82Å; S1294-H1316 PolarHBondContact O-N 2.89Å; S1314-H1316 PolarHBondContact O-N 2.95Å |
| 1317 | G | 86.7 | Confident | 78.1 | Confident | 24 Ų | 24 | 60 Ų | 60 | 25% | 0.247 | 33% | 0.333 | C | S | . | . | trans | -96 | 172 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N1292 S1314 P1315 | N1292-G1317 PolarHBondContact N-O 3.02Å; N1292-G1317 PolarHBondContact O-N 2.88Å; S1314-G1317 WeakPolarHBondContact O-CA 3.17Å; S1314-G1317 PolarHBondContact O-N 2.93Å; P1315-G1317 PolarHBondContact O-N 3.42Å | ||
| 1318 | S | 85.2 | Confident | 79 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 141.7 | 171.5 | 66.6 | 0 | 0 | 0 | 0 | 110.6 | L1290 | L1290-S1318 CarbonylContact O-C 3.5Å; L1290-S1318 WeakPolarHBondContact O-CA 3.23Å; L1290-S1318 WeakPolarHBondContact O-CB 3.45Å |
| 1319 | S | 84.5 | Confident | 79.8 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 20% | 0.203 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.4 | -178.9 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | L1290 | L1290-S1319 PolarHBondContact N-O 2.85Å; L1290-S1319 PolarHBondContact O-N 2.88Å |
| 1320 | M | 81.4 | Confident | 80.4 | Confident | 63 Ų | 63 | 55.5 Ų | 55.5 | 31% | 0.31 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 128.2 | 171.9 | -63.7 | -176.7 | -176.6 | 0 | 0 | 108.9 | R1175 N1177 C1286 L1289 | R1175-M1320 WeakPolarHBondContact O-CE 3.47Å; R1175-M1320 VanDerWaalsContact O-SD 3.39Å; N1177-M1320 HydrophobicContact CB-SD 3.99Å; C1286-M1320 HydrophobicContact CB-CB 4.31Å; C1286-M1320 HydrophobicContact CB-SD 4.49Å; L1289-M1320 HydrophobicContact CD1-CG 4.2Å |
| 1321 | W | 81.7 | Confident | 80.8 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 4% | 0.038 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 109.1 | -179 | -168.7 | 48.7 | 0 | 0 | 0 | 110.2 | Y1288 L1290 V1300 Q1302 L1311 L1323 M1332 V1348 | Y1288-W1321 HydrophobicContact CG-CE3 4.39Å; Y1288-W1321 PolarHBondContact O-N 3.04Å; L1290-W1321 HydrophobicContact CD1-CB 3.75Å; L1290-W1321 HydrophobicContact CD1-CD2 4.28Å; L1290-W1321 HydrophobicContact CD1-CG 3.91Å; L1290-W1321 HydrophobicContact CD2-CB 4.36Å; L1290-W1321 HydrophobicContact CD2-CE3 4.39Å; L1290-W1321 HydrophobicContact CG-CB 3.8Å; L1290-W1321 HydrophobicContact CG-CG 4.41Å; V1300-W1321 HydrophobicContact CG1-CZ2 4.23Å; Q1302-W1321 HydrophobicContact CB-CZ2 4.25Å; L1311-W1321 HydrophobicContact CD2-CB 4.13Å; L1311-W1321 HydrophobicContact CD2-CG 4.11Å; W1321-L1323 HydrophobicContact CE3-CD2 4.23Å; W1321-L1323 HydrophobicContact CH2-CD2 3.63Å; W1321-L1323 HydrophobicContact CZ2-CD2 4.16Å; W1321-L1323 HydrophobicContact CZ3-CD2 3.62Å; W1321-M1332 HydrophobicContact CD2-CE 4.19Å; W1321-M1332 HydrophobicContact CE3-CE 3.48Å; W1321-M1332 VanDerWaalsContact CE3-CE 3.48Å; W1321-M1332 HydrophobicContact CH2-CB 4.18Å; W1321-M1332 HydrophobicContact CH2-CE 3.67Å; W1321-M1332 HydrophobicContact CH2-CG 4.28Å; W1321-M1332 HydrophobicContact CZ2-CE 4.34Å; W1321-M1332 HydrophobicContact CZ3-CE 3.22Å; W1321-V1348 HydrophobicContact CZ3-CG2 3.89Å |
| 1322 | H | 77 | Confident | 80.9 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 21% | 0.213 | 28% | 0.281 | C | S | . | . | trans | -91.5 | 122.6 | 168.3 | -64.3 | -71.1 | 0 | 0 | 0 | 107.1 | T1176 Y1263 P1324 | T1176-H1322 PolarHBondContact O-CE1 3.42Å; T1176-H1322 PolarHBondContact O-NE2 3.32Å; Y1263-H1322 HydrophobicContact CD1-CB 4Å; Y1263-H1322 AromaticContact CD1-CG 3.85Å; Y1263-H1322 AromaticContact CD1-ND1 3.8Å; Y1263-H1322 HydrophobicContact CE1-CB 4.14Å; H1322-P1324 VanDerWaalsContact O-CD 3.3Å; H1322-P1324 WeakPolarHBondContact O-CD 3.39Å; H1322-P1324 VanDerWaalsContact O-N 3.14Å | ||
| 1323 | L | 73.4 | Confident | 81 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 7% | 0.073 | 26% | 0.26 | C | S | . | . | trans | -56.2 | 119.6 | -179.6 | -74.8 | 166.9 | 0 | 0 | 0 | 109.3 | Y1288 W1321 F1325 P1330 | Y1288-L1323 HydrophobicContact CD2-CD1 4.32Å; Y1288-L1323 HydrophobicContact CD2-CG 4.24Å; Y1288-L1323 HydrophobicContact CE2-CD1 3.54Å; Y1288-L1323 HydrophobicContact CE2-CG 3.95Å; W1321-L1323 HydrophobicContact CE3-CD2 4.23Å; W1321-L1323 HydrophobicContact CH2-CD2 3.63Å; W1321-L1323 HydrophobicContact CZ2-CD2 4.16Å; W1321-L1323 HydrophobicContact CZ3-CD2 3.62Å; L1323-F1325 PolarHBondContact O-N 3.45Å; L1323-P1330 HydrophobicContact CD1-CB 3.96Å; L1323-P1330 HydrophobicContact CD2-CB 4.23Å | ||
| 1324 | P | 67.6 | Low | 81 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -59.4 | -35.6 | -179.6 | -22.8 | 32 | 0 | 0 | 0 | 112.3 | H1322 | H1322-P1324 VanDerWaalsContact O-CD 3.3Å; H1322-P1324 WeakPolarHBondContact O-CD 3.39Å; H1322-P1324 VanDerWaalsContact O-N 3.14Å |
| 1325 | F | 72.8 | Confident | 80.9 | Confident | 78 Ų | 78 | 44.2 Ų | 44.2 | 34% | 0.342 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -126.7 | 85.1 | 178.7 | -53.3 | -76.3 | 0 | 0 | 0 | 110 | Q1302 T1307 L1323 N1327 L1328 | Q1302-F1325 PolarHBondContact NE2-O 2.99Å; Q1302-F1325 PolarHBondContact OE1-O 2.77Å; T1307-F1325 HydrophobicContact CG2-CE2 3.56Å; T1307-F1325 HydrophobicContact CG2-CZ 3.86Å; L1323-F1325 PolarHBondContact O-N 3.45Å; F1325-N1327 PolarHBondContact O-N 2.91Å; F1325-L1328 HydrophobicContact CB-CB 4.33Å; F1325-L1328 HydrophobicContact CB-CD1 3.65Å; F1325-L1328 HydrophobicContact CB-CG 4.02Å; F1325-L1328 HydrophobicContact CG-CD1 4.2Å; F1325-L1328 WeakPolarHBondContact O-CB 3.27Å; F1325-L1328 PolarHBondContact O-N 3.47Å |
| 1326 | P | 67 | Low | 80.7 | Confident | 22 Ų | 22 | 42 Ų | 42 | 14% | 0.143 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -26.2 | -172.8 | -16 | 28.3 | 0 | 0 | 0 | 113.7 | V1262 H1264 L1328 | V1262-P1326 HydrophobicContact CB-CB 3.95Å; V1262-P1326 HydrophobicContact CB-CG 3.78Å; V1262-P1326 WeakPolarHBondContact O-CG 3.21Å; H1264-P1326 WeakPolarHBondContact NE2-CB 3.3Å; P1326-L1328 PolarHBondContact O-N 2.88Å |
| 1327 | N | 70.6 | Confident | 80.1 | Confident | 143 Ų | 143 | 40.1 Ų | 40.1 | 77% | 0.765 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -10.7 | 177.3 | -62.8 | -13.9 | 0 | 0 | 0 | 112.8 | F1325 | F1325-N1327 PolarHBondContact O-N 2.91Š|
| 1328 | L | 76.2 | Confident | 79 | Confident | 55 Ų | 55 | 46.6 Ų | 46.6 | 29% | 0.288 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -96.3 | 150.9 | 175.2 | -61.7 | 176.3 | 0 | 0 | 0 | 109.4 | T1304 F1325 P1326 | T1304-L1328 HydrophobicContact CG2-CB 4.31Å; T1304-L1328 WeakPolarHBondContact OG1-CD1 3.5Å; F1325-L1328 HydrophobicContact CB-CB 4.33Å; F1325-L1328 HydrophobicContact CB-CD1 3.65Å; F1325-L1328 HydrophobicContact CB-CG 4.02Å; F1325-L1328 HydrophobicContact CG-CD1 4.2Å; F1325-L1328 WeakPolarHBondContact O-CB 3.27Å; F1325-L1328 PolarHBondContact O-N 3.47Å; P1326-L1328 PolarHBondContact O-N 2.88Å |
| 1329 | P | 78.1 | Confident | 78.3 | Confident | 72 Ų | 72 | 48.6 Ų | 48.6 | 47% | 0.468 | 25% | 0.247 | S | C | . | . | trans | -50.9 | 143.9 | 174.4 | -26.7 | 34.9 | 0 | 0 | 0 | 111.6 | Q1302 L1331 | Q1302-P1329 PolarHBondContact NE2-O 2.78Å; Q1302-P1329 VanDerWaalsContact NE2-O 3.16Å; P1329-L1331 HydrophobicContact CB-CD1 4Å; P1329-L1331 HydrophobicContact CB-CG 4.02Å; P1329-L1331 PolarHBondContact O-N 2.76Å | ||
| 1330 | P | 82.6 | Confident | 78.1 | Confident | 19 Ų | 19 | 47.6 Ų | 47.6 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | trans | -77.2 | 69.1 | -178.4 | 34.2 | -37 | 0 | 0 | 0 | 110.1 | L1323 L1347 V1348 D1349 | L1323-P1330 HydrophobicContact CD1-CB 3.96Å; L1323-P1330 HydrophobicContact CD2-CB 4.23Å; P1330-L1347 HydrophobicContact CG-CD2 4.43Å; P1330-V1348 HydrophobicContact CB-CG2 4.23Å; P1330-V1348 WeakPolarHBondContact O-CG2 3.31Å; P1330-V1348 PolarHBondContact O-N 2.76Å; P1330-D1349 HydrophobicContact CG-CB 4.04Å | ||
| 1331 | L | 87.4 | Confident | 78.3 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.4 | 179.2 | -66.9 | 166.9 | 0 | 0 | 0 | 109.8 | Q1302 S1303 T1304 P1329 E1345 F1346 L1347 L1433 | Q1302-L1331 VanDerWaalsContact CA-O 3.3Å; Q1302-L1331 WeakPolarHBondContact CA-O 3.38Å; Q1302-L1331 WeakPolarHBondContact CG-O 3.33Å; S1303-L1331 PolarHBondContact N-O 2.85Å; S1303-L1331 VanDerWaalsContact N-O 3.12Å; S1303-L1331 WeakPolarHBondContact OG-CB 3.4Å; T1304-L1331 HydrophobicContact CG2-CB 4.36Å; T1304-L1331 HydrophobicContact CG2-CD1 3.81Å; P1329-L1331 HydrophobicContact CB-CD1 4Å; P1329-L1331 HydrophobicContact CB-CG 4.02Å; P1329-L1331 PolarHBondContact O-N 2.76Å; L1331-E1345 HydrophobicContact CB-CB 4.34Å; L1331-F1346 WeakPolarHBondContact CA-O 3.49Å; L1331-L1347 HydrophobicContact CD2-CD2 3.69Å; L1331-L1347 HydrophobicContact CD2-CG 3.86Å; L1331-L1347 HydrophobicContact CG-CD2 4.32Å; L1331-L1433 HydrophobicContact CD2-CD1 3.58Å |
| 1332 | M | 89.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 139.3 | -175 | -174.5 | -179.1 | -72.8 | 0 | 0 | 110.9 | L1290 V1300 W1321 I1334 E1345 F1346 V1348 F1383 | L1290-M1332 HydrophobicContact CD1-CE 4.36Å; L1290-M1332 HydrophobicContact CD2-CE 3.51Å; V1300-M1332 HydrophobicContact CG1-CE 3.79Å; V1300-M1332 HydrophobicContact CG1-CG 3.56Å; V1300-M1332 HydrophobicContact CG1-SD 3.66Å; W1321-M1332 HydrophobicContact CD2-CE 4.19Å; W1321-M1332 HydrophobicContact CE3-CE 3.48Å; W1321-M1332 VanDerWaalsContact CE3-CE 3.48Å; W1321-M1332 HydrophobicContact CH2-CB 4.18Å; W1321-M1332 HydrophobicContact CH2-CE 3.67Å; W1321-M1332 HydrophobicContact CH2-CG 4.28Å; W1321-M1332 HydrophobicContact CZ2-CE 4.34Å; W1321-M1332 HydrophobicContact CZ3-CE 3.22Å; M1332-I1334 HydrophobicContact CG-CD1 4.46Å; M1332-I1334 HydrophobicContact CG-CG1 4.1Å; M1332-I1334 HydrophobicContact SD-CD1 3.91Å; M1332-I1334 HydrophobicContact SD-CG1 4.12Å; M1332-E1345 WeakPolarHBondContact O-CA 3.08Å; M1332-F1346 HydrophobicContact CB-CE1 4.25Å; M1332-F1346 HydrophobicContact CB-CE2 4.17Å; M1332-F1346 HydrophobicContact CB-CZ 4Å; M1332-F1346 HydrophobicContact CG-CE1 4.32Å; M1332-F1346 HydrophobicContact CG-CZ 4.01Å; M1332-F1346 PolarHBondContact N-O 2.78Å; M1332-F1346 WeakPolarHBondContact O-CD1 3.47Å; M1332-F1346 PolarHBondContact O-N 3.26Å; M1332-F1346 VanDerWaalsContact O-N 3.09Å; M1332-F1346 HydrophobicContact SD-CE1 4.49Å; M1332-F1346 HydrophobicContact SD-CE2 4.17Å; M1332-F1346 HydrophobicContact SD-CZ 3.68Å; M1332-V1348 HydrophobicContact CB-CG1 4.47Å; M1332-V1348 HydrophobicContact CB-CG2 4.12Å; M1332-V1348 HydrophobicContact CE-CG1 3.71Å; M1332-V1348 HydrophobicContact CE-CG2 4.16Å; M1332-V1348 HydrophobicContact SD-CG1 4.17Å; M1332-F1383 HydrophobicContact SD-CZ 3.97Å |
| 1333 | S | 89 | Confident | 79.1 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 147.1 | 166.1 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | R1301 T1343 | R1301-S1333 WeakPolarHBondContact CG-OG 3.31Å; R1301-S1333 PolarHBondContact N-O 2.86Å; R1301-S1333 PolarHBondContact NE-OG 3.42Å; R1301-S1333 VanDerWaalsContact NE-OG 3.09Å; R1301-S1333 PolarHBondContact O-N 2.95Å; S1333-T1343 VanDerWaalsContact CB-O 3.27Å; S1333-T1343 WeakPolarHBondContact CB-O 3.39Å |
| 1334 | I | 89.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.4 | -167.7 | -60.8 | -179 | 0 | 0 | 0 | 111.2 | I1298 F1299 V1300 M1332 T1343 F1346 L1356 F1383 | I1298-I1334 HydrophobicContact CG2-CG2 3.45Å; I1298-I1334 VanDerWaalsContact CG2-CG2 3.45Å; F1299-I1334 CarbonylContact O-C 3.29Å; F1299-I1334 VanDerWaalsContact O-CA 3.27Å; F1299-I1334 WeakPolarHBondContact O-CA 3.08Å; V1300-I1334 HydrophobicContact CG2-CG1 4.35Å; M1332-I1334 HydrophobicContact CG-CD1 4.46Å; M1332-I1334 HydrophobicContact CG-CG1 4.1Å; M1332-I1334 HydrophobicContact SD-CD1 3.91Å; M1332-I1334 HydrophobicContact SD-CG1 4.12Å; I1334-T1343 PolarHBondContact N-OG1 2.78Å; I1334-T1343 WeakPolarHBondContact O-CG2 3.4Å; I1334-T1343 PolarHBondContact O-N 3.16Å; I1334-T1343 PolarHBondContact O-OG1 3.44Å; I1334-F1346 HydrophobicContact CD1-CE1 3.8Å; I1334-F1346 HydrophobicContact CD1-CZ 3.69Å; I1334-F1346 HydrophobicContact CG1-CE1 4.14Å; I1334-F1346 HydrophobicContact CG1-CZ 4.38Å; I1334-L1356 HydrophobicContact CD1-CD1 4.06Å; I1334-F1383 HydrophobicContact CD1-CD1 4.02Å; I1334-F1383 HydrophobicContact CD1-CE1 3.16Å; I1334-F1383 HydrophobicContact CD1-CZ 3.48Å; I1334-F1383 VanDerWaalsContact CD1-CZ 3.48Å |
| 1335 | K | 88.4 | Confident | 80.6 | Confident | 39 Ų | 39 | 54 Ų | 54 | 17% | 0.17 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 141.9 | 173.3 | 178.2 | 175.5 | 169.2 | 149.5 | 0 | 109.7 | F1299 E1337 E1338 T1340 W1342 | F1299-K1335 HydrophobicContact CB-CB 4.26Å; F1299-K1335 PolarHBondContact N-O 2.74Å; F1299-K1335 PolarHBondContact O-N 2.79Å; K1335-E1337 WeakPolarHBondContact CE-O 3.47Å; K1335-E1338 WeakPolarHBondContact CE-O 3.42Å; K1335-E1338 PolarHBondContact NZ-O 3.32Å; K1335-T1340 VanDerWaalsContact CD-O 3.28Å; K1335-T1340 WeakPolarHBondContact CD-O 3.36Å; K1335-T1340 WeakPolarHBondContact CE-O 2.9Å; K1335-T1340 VanDerWaalsContact CG-OG1 3.24Å; K1335-T1340 WeakPolarHBondContact CG-OG1 3.35Å; K1335-T1340 PolarHBondContact NZ-O 3.44Å; K1335-W1342 HydrophobicContact CB-CD2 3.82Å; K1335-W1342 HydrophobicContact CB-CE3 3.63Å; K1335-W1342 HydrophobicContact CB-CG 4.48Å; K1335-W1342 HydrophobicContact CB-CH2 4.09Å; K1335-W1342 HydrophobicContact CB-CZ2 4.26Å; K1335-W1342 HydrophobicContact CB-CZ3 3.78Å; K1335-W1342 HydrophobicContact CD-CD2 4.22Å; K1335-W1342 HydrophobicContact CD-CG 4.49Å; K1335-W1342 HydrophobicContact CD-CZ2 4.21Å |
| 1336 | L | 83.3 | Confident | 81.3 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -92.2 | -51.7 | -175.6 | -70 | 164.3 | 0 | 0 | 0 | 112.4 | Y1296 D1297 I1298 T1340 L1358 H1366 L1368 | Y1296-L1336 VanDerWaalsContact CB-CD2 3.41Å; Y1296-L1336 HydrophobicContact CD2-CD1 4.28Å; Y1296-L1336 HydrophobicContact CD2-CD2 3.94Å; Y1296-L1336 HydrophobicContact CG-CD1 4.34Å; Y1296-L1336 HydrophobicContact CG-CD2 3.86Å; Y1296-L1336 HydrophobicContact CG-CG 4.46Å; D1297-L1336 CarbonylContact C-O 3.47Å; D1297-L1336 CarbonylContact O-C 2.79Å; D1297-L1336 VanDerWaalsContact O-C 3.3Å; D1297-L1336 WeakPolarHBondContact O-CA 3.34Å; I1298-L1336 HydrophobicContact CD1-CD2 4.49Å; I1298-L1336 HydrophobicContact CG1-CD2 3.87Å; L1336-T1340 HydrophobicContact CB-CG2 4.42Å; L1336-T1340 PolarHBondContact N-OG1 3.29Å; L1336-T1340 VanDerWaalsContact N-OG1 3.08Å; L1336-L1358 HydrophobicContact CD1-CB 4.04Å; L1336-L1358 HydrophobicContact CD1-CD1 3.95Å; L1336-L1358 HydrophobicContact CD1-CD2 3.92Å; L1336-L1358 HydrophobicContact CD1-CG 4.18Å; L1336-L1358 HydrophobicContact CG-CD2 3.82Å; L1336-H1366 HydrophobicContact CD1-CB 3.83Å; L1336-L1368 HydrophobicContact CD2-CD1 3.97Å |
| 1337 | E | 70.7 | Confident | 82.2 | Confident | 100 Ų | 100 | 50.8 Ų | 50.8 | 47% | 0.467 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -135.9 | 166.6 | -178.8 | -65.2 | -174.9 | 175.9 | 0 | 0 | 110.4 | K1335 F1339 T1340 | K1335-E1337 WeakPolarHBondContact CE-O 3.47Å; E1337-F1339 PolarHBondContact O-N 2.83Å; E1337-T1340 PolarHBondContact N-OG1 2.84Å; E1337-T1340 VanDerWaalsContact N-OG1 3.08Å; E1337-T1340 PolarHBondContact O-N 2.93Å; E1337-T1340 PolarHBondContact O-OG1 3.37Å |
| 1338 | E | 64.4 | Low | 82.8 | Confident | 159 Ų | 159 | 44 Ų | 44 | 74% | 0.743 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -29.8 | 179.6 | -70.5 | -166.6 | 162.5 | 0 | 0 | 113.3 | K1335 | K1335-E1338 WeakPolarHBondContact CE-O 3.42Å; K1335-E1338 PolarHBondContact NZ-O 3.32Å |
| 1339 | F | 69.2 | Low | 83 | Confident | 121 Ų | 121 | 44.3 Ų | 44.3 | 53% | 0.531 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -2.3 | -178.4 | -56.8 | -64.5 | 0 | 0 | 0 | 115.5 | E1337 G1360 D1361 | E1337-F1339 PolarHBondContact O-N 2.83Å; F1339-G1360 WeakPolarHBondContact O-CA 3.19Å; F1339-D1361 WeakPolarHBondContact CB-OD1 3.49Å; F1339-D1361 VanDerWaalsContact CD1-OD2 3.25Å; F1339-D1361 WeakPolarHBondContact CD1-OD2 3.5Å; F1339-D1361 PolarHBondContact O-N 3.25Å |
| 1340 | T | 81.4 | Confident | 82.9 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 5% | 0.049 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -95.7 | 148.7 | 175.7 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | K1335 L1336 E1337 R1359 | K1335-T1340 VanDerWaalsContact CD-O 3.28Å; K1335-T1340 WeakPolarHBondContact CD-O 3.36Å; K1335-T1340 WeakPolarHBondContact CE-O 2.9Å; K1335-T1340 VanDerWaalsContact CG-OG1 3.24Å; K1335-T1340 WeakPolarHBondContact CG-OG1 3.35Å; K1335-T1340 PolarHBondContact NZ-O 3.44Å; L1336-T1340 HydrophobicContact CB-CG2 4.42Å; L1336-T1340 PolarHBondContact N-OG1 3.29Å; L1336-T1340 VanDerWaalsContact N-OG1 3.08Å; E1337-T1340 PolarHBondContact N-OG1 2.84Å; E1337-T1340 VanDerWaalsContact N-OG1 3.08Å; E1337-T1340 PolarHBondContact O-N 2.93Å; E1337-T1340 PolarHBondContact O-OG1 3.37Å; T1340-R1359 WeakPolarHBondContact CA-O 3.02Å |
| 1341 | Y | 85.8 | Confident | 82.4 | Confident | 100 Ų | 100 | 50.4 Ų | 50.4 | 39% | 0.392 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -78 | 154.3 | 170.7 | -62.9 | -78.1 | 0 | 0 | 0 | 110.8 | R1359 H1414 | Y1341-R1359 HydrophobicContact CD2-CB 4.35Å; Y1341-R1359 WeakPolarHBondContact CD2-O 3.47Å; Y1341-R1359 PolarHBondContact N-O 2.74Å; Y1341-H1414 HydrophobicContact CD1-CB 4.26Å; Y1341-H1414 AromaticContact CD1-CD2 3.81Å; Y1341-H1414 AromaticContact CD1-CG 3.84Å; Y1341-H1414 HydrophobicContact CD2-CB 3.94Å; Y1341-H1414 AromaticContact CD2-CD2 3.7Å; Y1341-H1414 HydrophobicContact CE1-CB 4Å; Y1341-H1414 HydrophobicContact CE2-CB 3.65Å; Y1341-H1414 HydrophobicContact CG-CB 4.24Å; Y1341-H1414 AromaticContact CG-CD2 3.41Å; Y1341-H1414 VanDerWaalsContact CG-CD2 3.41Å; Y1341-H1414 AromaticContact CG-CG 3.84Å; Y1341-H1414 AromaticContact CG-NE2 3.96Å |
| 1342 | W | 86.6 | Confident | 81.6 | Confident | 61 Ų | 61 | 50.8 Ų | 50.8 | 23% | 0.231 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 133.5 | 172.8 | -73.3 | 100.9 | 0 | 0 | 0 | 110.2 | F1299 R1301 I1310 K1335 | F1299-W1342 HydrophobicContact CB-CH2 3.78Å; F1299-W1342 HydrophobicContact CB-CZ3 4.31Å; F1299-W1342 WeakPolarHBondContact O-CZ3 3.37Å; R1301-W1342 HydrophobicContact CB-CH2 4.33Å; R1301-W1342 HydrophobicContact CB-CZ3 4.33Å; R1301-W1342 HydrophobicContact CG-CE3 4.07Å; R1301-W1342 HydrophobicContact CG-CH2 4.08Å; R1301-W1342 HydrophobicContact CG-CZ3 3.77Å; I1310-W1342 HydrophobicContact CD1-CH2 4.42Å; I1310-W1342 HydrophobicContact CD1-CZ2 3.92Å; I1310-W1342 HydrophobicContact CG1-CH2 4.25Å; I1310-W1342 HydrophobicContact CG1-CZ2 4.2Å; I1310-W1342 HydrophobicContact CG2-CH2 4.02Å; I1310-W1342 HydrophobicContact CG2-CZ2 4.5Å; K1335-W1342 HydrophobicContact CB-CD2 3.82Å; K1335-W1342 HydrophobicContact CB-CE3 3.63Å; K1335-W1342 HydrophobicContact CB-CG 4.48Å; K1335-W1342 HydrophobicContact CB-CH2 4.09Å; K1335-W1342 HydrophobicContact CB-CZ2 4.26Å; K1335-W1342 HydrophobicContact CB-CZ3 3.78Å; K1335-W1342 HydrophobicContact CD-CD2 4.22Å; K1335-W1342 HydrophobicContact CD-CG 4.49Å; K1335-W1342 HydrophobicContact CD-CZ2 4.21Å |
| 1343 | T | 88.1 | Confident | 80.9 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 8% | 0.08 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 156.3 | 171.3 | 66.9 | 0 | 0 | 0 | 0 | 110.9 | S1333 I1334 L1358 | S1333-T1343 VanDerWaalsContact CB-O 3.27Å; S1333-T1343 WeakPolarHBondContact CB-O 3.39Å; I1334-T1343 PolarHBondContact N-OG1 2.78Å; I1334-T1343 WeakPolarHBondContact O-CG2 3.4Å; I1334-T1343 PolarHBondContact O-N 3.16Å; I1334-T1343 PolarHBondContact O-OG1 3.44Å; T1343-L1358 HydrophobicContact CG2-CD2 3.52Å; T1343-L1358 HydrophobicContact CG2-CG 3.69Å |
| 1344 | E | 87 | Confident | 80.4 | Confident | 55 Ų | 55 | 52.3 Ų | 52.3 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -63.9 | 165.4 | 165.3 | -68.3 | -76.9 | 112.9 | 0 | 0 | 111.3 | D1430 R1434 | E1344-D1430 WeakPolarHBondContact CB-O 3.34Å; E1344-R1434 IonicContact OE2-CZ 3Å; E1344-R1434 IonicContact OE2-NE 2.59Å; E1344-R1434 IonicContact OE2-NH2 2.67Å; E1344-R1434 PolarHBondContact OE2-NH2 3.36Å |
| 1345 | E | 85.7 | Confident | 80.1 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 32% | 0.318 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -79 | 144.7 | -171 | 58.1 | -176 | -163.2 | 0 | 0 | 114.7 | S1303 L1331 M1332 L1433 | S1303-E1345 WeakPolarHBondContact CB-OE2 3.34Å; S1303-E1345 VanDerWaalsContact OG-CB 3.22Å; S1303-E1345 WeakPolarHBondContact OG-CB 3.11Å; S1303-E1345 PolarHBondContact OG-OE2 2.79Å; L1331-E1345 HydrophobicContact CB-CB 4.34Å; M1332-E1345 WeakPolarHBondContact O-CA 3.08Å; E1345-L1433 HydrophobicContact CG-CD1 4.25Å; E1345-L1433 WeakPolarHBondContact O-CD1 3.49Å |
| 1346 | F | 87.4 | Confident | 79.9 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 156.3 | 172.7 | 66.6 | -92 | 0 | 0 | 0 | 112.7 | L1331 M1332 I1334 V1348 F1354 L1356 V1370 | L1331-F1346 WeakPolarHBondContact CA-O 3.49Å; M1332-F1346 HydrophobicContact CB-CE1 4.25Å; M1332-F1346 HydrophobicContact CB-CE2 4.17Å; M1332-F1346 HydrophobicContact CB-CZ 4Å; M1332-F1346 HydrophobicContact CG-CE1 4.32Å; M1332-F1346 HydrophobicContact CG-CZ 4.01Å; M1332-F1346 PolarHBondContact N-O 2.78Å; M1332-F1346 WeakPolarHBondContact O-CD1 3.47Å; M1332-F1346 PolarHBondContact O-N 3.26Å; M1332-F1346 VanDerWaalsContact O-N 3.09Å; M1332-F1346 HydrophobicContact SD-CE1 4.49Å; M1332-F1346 HydrophobicContact SD-CE2 4.17Å; M1332-F1346 HydrophobicContact SD-CZ 3.68Å; I1334-F1346 HydrophobicContact CD1-CE1 3.8Å; I1334-F1346 HydrophobicContact CD1-CZ 3.69Å; I1334-F1346 HydrophobicContact CG1-CE1 4.14Å; I1334-F1346 HydrophobicContact CG1-CZ 4.38Å; F1346-V1348 HydrophobicContact CD2-CG1 4.43Å; F1346-V1348 HydrophobicContact CE2-CG1 3.84Å; F1346-F1354 HydrophobicContact CB-CZ 4.1Å; F1346-F1354 HydrophobicContact CD1-CE2 4.43Å; F1346-F1354 HydrophobicContact CD1-CZ 4.31Å; F1346-F1354 HydrophobicContact CD2-CE1 4.31Å; F1346-F1354 HydrophobicContact CD2-CE2 4.36Å; F1346-F1354 AromaticContact CD2-CZ 3.48Å; F1346-F1354 HydrophobicContact CD2-CZ 3.48Å; F1346-F1354 VanDerWaalsContact CD2-CZ 3.48Å; F1346-F1354 AromaticContact CE2-CZ 3.85Å; F1346-F1354 HydrophobicContact CE2-CZ 3.85Å; F1346-F1354 HydrophobicContact CG-CE2 4.19Å; F1346-F1354 AromaticContact CG-CZ 3.71Å; F1346-F1354 HydrophobicContact CG-CZ 3.71Å; F1346-F1354 HydrophobicContact CZ-CZ 4.41Å; F1346-L1356 HydrophobicContact CD1-CD1 4.44Å; F1346-L1356 HydrophobicContact CD1-CD2 4.27Å; F1346-L1356 HydrophobicContact CE1-CD1 3.79Å; F1346-L1356 HydrophobicContact CE1-CD2 4.42Å; F1346-L1356 HydrophobicContact CZ-CD1 4.33Å; F1346-V1370 HydrophobicContact CE2-CG1 4.24Å; F1346-V1370 HydrophobicContact CZ-CG1 4.42Å |
| 1347 | L | 86.5 | Confident | 79.8 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 132.4 | -178.7 | -76.8 | 166.6 | 0 | 0 | 0 | 112 | P1330 L1331 L1433 | P1330-L1347 HydrophobicContact CG-CD2 4.43Å; L1331-L1347 HydrophobicContact CD2-CD2 3.69Å; L1331-L1347 HydrophobicContact CD2-CG 3.86Å; L1331-L1347 HydrophobicContact CG-CD2 4.32Å; L1347-L1433 HydrophobicContact CD1-CD2 4.01Å; L1347-L1433 HydrophobicContact CG-CD2 4.19Å |
| 1348 | V | 83.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -101.8 | -2.4 | -179.3 | -102.1 | 0 | 0 | 0 | 0 | 115 | Y1288 W1321 P1330 M1332 F1346 I1372 V1381 | Y1288-V1348 HydrophobicContact CD1-CB 4.43Å; Y1288-V1348 HydrophobicContact CE1-CB 4.33Å; W1321-V1348 HydrophobicContact CZ3-CG2 3.89Å; P1330-V1348 HydrophobicContact CB-CG2 4.23Å; P1330-V1348 WeakPolarHBondContact O-CG2 3.31Å; P1330-V1348 PolarHBondContact O-N 2.76Å; M1332-V1348 HydrophobicContact CB-CG1 4.47Å; M1332-V1348 HydrophobicContact CB-CG2 4.12Å; M1332-V1348 HydrophobicContact CE-CG1 3.71Å; M1332-V1348 HydrophobicContact CE-CG2 4.16Å; M1332-V1348 HydrophobicContact SD-CG1 4.17Å; F1346-V1348 HydrophobicContact CD2-CG1 4.43Å; F1346-V1348 HydrophobicContact CE2-CG1 3.84Å; V1348-I1372 HydrophobicContact CG1-CD1 4.15Å; V1348-V1381 HydrophobicContact CB-CG2 4.4Å; V1348-V1381 HydrophobicContact CG1-CG1 4.17Å; V1348-V1381 HydrophobicContact CG1-CG2 3.62Å |
| 1349 | D | 78.5 | Confident | 81.3 | Confident | 61 Ų | 61 | 41.9 Ų | 41.9 | 33% | 0.326 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -94.3 | 1.1 | 177.7 | 68.8 | -18.1 | 0 | 0 | 0 | 113.9 | P1330 Y1379 | P1330-D1349 HydrophobicContact CG-CB 4.04Å; D1349-Y1379 HydrophobicContact CB-CE2 4.31Å; D1349-Y1379 WeakPolarHBondContact O-CE1 3.26Å; D1349-Y1379 PolarHBondContact O-OH 3.15Å |
| 1350 | R | 77.7 | Confident | 81.7 | Confident | 147 Ų | 147 | 36.5 Ų | 36.5 | 56% | 0.555 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -104.6 | 130.4 | 176.6 | -68 | -169.1 | 176.6 | -169 | 0.8 | 111.6 | T1352 I1372 | R1350-T1352 PolarHBondContact O-N 3.27Å; R1350-I1372 WeakPolarHBondContact O-CB 3.48Å; R1350-I1372 WeakPolarHBondContact O-CG2 3.05Å |
| 1351 | L | 71.2 | Confident | 81.1 | Confident | 73 Ų | 73 | 39.5 Ų | 39.5 | 38% | 0.382 | 19% | 0.186 | S | C | . | . | trans | -73.1 | 109.3 | 174.9 | -56.9 | 176.5 | 0 | 0 | 0 | 109.9 | I1372 L1374 Y1379 | L1351-I1372 WeakPolarHBondContact CA-O 3.29Å; L1351-L1374 HydrophobicContact CD1-CB 4.46Å; L1351-L1374 HydrophobicContact CD2-CB 3.83Å; L1351-Y1379 HydrophobicContact CD2-CD1 4.24Å; L1351-Y1379 HydrophobicContact CD2-CE1 4.09Å | ||
| 1352 | T | 71.3 | Confident | 80.2 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 17% | 0.166 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 164.3 | -178.2 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | R1350 F1354 I1372 W1432 | R1350-T1352 PolarHBondContact O-N 3.27Å; T1352-F1354 HydrophobicContact CG2-CD1 3.67Å; T1352-F1354 HydrophobicContact CG2-CE1 3.69Å; T1352-I1372 HydrophobicContact CG2-CD1 4.09Å; T1352-I1372 PolarHBondContact O-N 2.99Å; T1352-W1432 HydrophobicContact CG2-CH2 4.38Å; T1352-W1432 HydrophobicContact CG2-CZ2 4.33Å |
| 1353 | S | 74.4 | Confident | 79.2 | Confident | 15 Ų | 15 | 44 Ų | 44 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144.4 | 157.7 | 75.1 | 0 | 0 | 0 | 0 | 110.8 | V1370 Q1923 | S1353-V1370 CarbonylContact C-O 3.56Å; S1353-V1370 WeakPolarHBondContact CA-O 3.16Å; S1353-V1370 WeakPolarHBondContact CB-O 3.18Å; S1353-Q1923 PolarHBondContact O-NE2 2.76Å; S1353-Q1923 PolarHBondContact OG-NE2 2.66Å; S1353-Q1923 PolarHBondContact OG-OE1 3.3Å; S1353-Q1923 VanDerWaalsContact OG-OE1 3.12Å |
| 1354 | F | 79 | Confident | 78.3 | Confident | 18 Ų | 18 | 46.7 Ų | 46.7 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 157.1 | -177.9 | 56.8 | -87.9 | 0 | 0 | 0 | 109.2 | F1346 T1352 L1356 V1370 I1372 W1432 | F1346-F1354 HydrophobicContact CB-CZ 4.1Å; F1346-F1354 HydrophobicContact CD1-CE2 4.43Å; F1346-F1354 HydrophobicContact CD1-CZ 4.31Å; F1346-F1354 HydrophobicContact CD2-CE1 4.31Å; F1346-F1354 HydrophobicContact CD2-CE2 4.36Å; F1346-F1354 AromaticContact CD2-CZ 3.48Å; F1346-F1354 HydrophobicContact CD2-CZ 3.48Å; F1346-F1354 VanDerWaalsContact CD2-CZ 3.48Å; F1346-F1354 AromaticContact CE2-CZ 3.85Å; F1346-F1354 HydrophobicContact CE2-CZ 3.85Å; F1346-F1354 HydrophobicContact CG-CE2 4.19Å; F1346-F1354 AromaticContact CG-CZ 3.71Å; F1346-F1354 HydrophobicContact CG-CZ 3.71Å; F1346-F1354 HydrophobicContact CZ-CZ 4.41Å; T1352-F1354 HydrophobicContact CG2-CD1 3.67Å; T1352-F1354 HydrophobicContact CG2-CE1 3.69Å; F1354-L1356 HydrophobicContact CD2-CD2 4.24Å; F1354-L1356 HydrophobicContact CD2-CG 4.3Å; F1354-L1356 HydrophobicContact CE2-CD1 4.5Å; F1354-L1356 HydrophobicContact CE2-CD2 3.7Å; F1354-L1356 HydrophobicContact CE2-CG 3.84Å; F1354-V1370 HydrophobicContact CE1-CB 4.33Å; F1354-V1370 HydrophobicContact CE1-CG1 4.34Å; F1354-V1370 HydrophobicContact CE2-CB 4.09Å; F1354-V1370 HydrophobicContact CE2-CG2 4.05Å; F1354-V1370 HydrophobicContact CZ-CB 3.97Å; F1354-V1370 HydrophobicContact CZ-CG1 4.04Å; F1354-V1370 HydrophobicContact CZ-CG2 4.28Å; F1354-V1370 PolarHBondContact N-O 2.92Å; F1354-V1370 PolarHBondContact O-N 2.76Å; F1354-I1372 HydrophobicContact CE1-CD1 4.3Å; F1354-W1432 HydrophobicContact CD1-CZ2 4.47Å; F1354-W1432 AromaticContact CD2-CD1 3.99Å; F1354-W1432 HydrophobicContact CD2-CG 4.35Å; F1354-W1432 AromaticContact CG-CD1 3.85Å; F1354-W1432 HydrophobicContact CG-CG 4.43Å; F1354-W1432 AromaticContact CG-NE1 3.76Å |
| 1355 | T | 81.5 | Confident | 77.7 | Confident | 25 Ų | 25 | 46 Ų | 46 | 15% | 0.153 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 139.4 | 173.4 | 43 | 0 | 0 | 0 | 0 | 109.8 | L1368 L1369 A1386 P1392 N1428 | T1355-L1368 CarbonylContact C-O 3.5Å; T1355-L1368 WeakPolarHBondContact CA-O 3.4Å; T1355-L1369 HydrophobicContact CG2-CD1 4.12Å; T1355-A1386 HydrophobicContact CG2-CB 3.93Å; T1355-P1392 WeakPolarHBondContact OG1-CG 3.31Å; T1355-N1428 VanDerWaalsContact C-ND2 3.35Å; T1355-N1428 PolarHBondContact O-ND2 2.96Å; T1355-N1428 PolarHBondContact OG1-ND2 2.96Å |
| 1356 | L | 84.7 | Confident | 77.5 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 144.8 | 168.8 | -74.9 | 175.6 | 0 | 0 | 0 | 109.5 | I1334 F1346 F1354 L1358 F1367 L1368 V1370 | I1334-L1356 HydrophobicContact CD1-CD1 4.06Å; F1346-L1356 HydrophobicContact CD1-CD1 4.44Å; F1346-L1356 HydrophobicContact CD1-CD2 4.27Å; F1346-L1356 HydrophobicContact CE1-CD1 3.79Å; F1346-L1356 HydrophobicContact CE1-CD2 4.42Å; F1346-L1356 HydrophobicContact CZ-CD1 4.33Å; F1354-L1356 HydrophobicContact CD2-CD2 4.24Å; F1354-L1356 HydrophobicContact CD2-CG 4.3Å; F1354-L1356 HydrophobicContact CE2-CD1 4.5Å; F1354-L1356 HydrophobicContact CE2-CD2 3.7Å; F1354-L1356 HydrophobicContact CE2-CG 3.84Å; L1356-L1358 HydrophobicContact CB-CD1 4.13Å; L1356-F1367 WeakPolarHBondContact O-CA 3.28Å; L1356-L1368 HydrophobicContact CB-CB 4.42Å; L1356-L1368 PolarHBondContact N-O 3.38Å; L1356-L1368 PolarHBondContact O-N 3.43Å; L1356-V1370 HydrophobicContact CD1-CG2 3.42Å; L1356-V1370 VanDerWaalsContact CD1-CG2 3.42Å; L1356-V1370 HydrophobicContact CG-CG2 3.74Å |
| 1357 | Y | 81 | Confident | 77.4 | Confident | 27 Ų | 27 | 46.2 Ų | 46.2 | 11% | 0.106 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 115.8 | 175.2 | -177.3 | -120.7 | 0 | 0 | 0 | 109 | R1359 A1365 F1367 Y1427 | Y1357-R1359 HydrophobicContact CD1-CG 4.11Å; Y1357-R1359 HydrophobicContact CE1-CG 3.71Å; Y1357-A1365 HydrophobicContact CD2-CB 4.29Å; Y1357-A1365 HydrophobicContact CE2-CB 3.39Å; Y1357-F1367 HydrophobicContact CD2-CD1 4.04Å; Y1357-F1367 AromaticContact CD2-CE1 3.44Å; Y1357-F1367 HydrophobicContact CD2-CE1 3.44Å; Y1357-F1367 VanDerWaalsContact CD2-CE1 3.44Å; Y1357-F1367 HydrophobicContact CD2-CE2 4.47Å; Y1357-F1367 AromaticContact CD2-CZ 3.69Å; Y1357-F1367 HydrophobicContact CD2-CZ 3.69Å; Y1357-F1367 HydrophobicContact CE2-CE1 4.03Å; Y1357-F1367 HydrophobicContact CE2-CE2 4.45Å; Y1357-F1367 AromaticContact CE2-CZ 3.78Å; Y1357-F1367 HydrophobicContact CE2-CZ 3.78Å; Y1357-F1367 HydrophobicContact CG-CE1 4.39Å; Y1357-Y1427 HydrophobicContact CD1-CD2 4.21Å; Y1357-Y1427 HydrophobicContact CD1-CE2 4.19Å; Y1357-Y1427 AromaticContact CE1-CD2 3.83Å; Y1357-Y1427 HydrophobicContact CE1-CD2 3.83Å; Y1357-Y1427 AromaticContact CE1-CE2 3.99Å; Y1357-Y1427 HydrophobicContact CE1-CE2 3.99Å |
| 1358 | L | 84.2 | Confident | 77.4 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.1 | -176.9 | -63.8 | 107.8 | 0 | 0 | 0 | 110 | L1336 T1343 L1356 A1365 H1366 L1368 | L1336-L1358 HydrophobicContact CD1-CB 4.04Å; L1336-L1358 HydrophobicContact CD1-CD1 3.95Å; L1336-L1358 HydrophobicContact CD1-CD2 3.92Å; L1336-L1358 HydrophobicContact CD1-CG 4.18Å; L1336-L1358 HydrophobicContact CG-CD2 3.82Å; T1343-L1358 HydrophobicContact CG2-CD2 3.52Å; T1343-L1358 HydrophobicContact CG2-CG 3.69Å; L1356-L1358 HydrophobicContact CB-CD1 4.13Å; L1358-A1365 CarbonylContact O-C 3.6Å; L1358-A1365 WeakPolarHBondContact O-CA 3.16Å; L1358-H1366 HydrophobicContact CB-CB 4.48Å; L1358-H1366 PolarHBondContact N-O 3.28Å; L1358-H1366 PolarHBondContact O-N 2.81Å; L1358-L1368 HydrophobicContact CD1-CB 3.65Å |
| 1359 | R | 82.4 | Confident | 77.5 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 132.2 | -177.5 | -61.7 | -178.1 | -178.6 | -134.2 | -4.7 | 111.4 | T1340 Y1341 Y1357 H1414 L1415 S1417 D1430 | T1340-R1359 WeakPolarHBondContact CA-O 3.02Å; Y1341-R1359 HydrophobicContact CD2-CB 4.35Å; Y1341-R1359 WeakPolarHBondContact CD2-O 3.47Å; Y1341-R1359 PolarHBondContact N-O 2.74Å; Y1357-R1359 HydrophobicContact CD1-CG 4.11Å; Y1357-R1359 HydrophobicContact CE1-CG 3.71Å; R1359-H1414 WeakPolarHBondContact CD-O 2.97Å; R1359-H1414 PolarHBondContact NH1-O 3.38Å; R1359-L1415 VanDerWaalsContact CZ-C 3.46Å; R1359-L1415 VanDerWaalsContact CZ-O 3.25Å; R1359-L1415 PolarHBondContact NH1-O 2.96Å; R1359-L1415 PolarHBondContact NH2-O 3.5Å; R1359-S1417 PolarHBondContact NH1-OG 2.98Å; R1359-D1430 IonicContact CZ-OD1 2.73Å; R1359-D1430 IonicContact NE-OD1 2.68Å; R1359-D1430 PolarHBondContact NE-OD1 3.17Å; R1359-D1430 IonicContact NH2-OD1 2.99Å; R1359-D1430 PolarHBondContact NH2-OD1 3.09Å; R1359-D1430 IonicContact NH2-OD2 2.78Å |
| 1360 | G | 77.9 | Confident | 77.9 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 9% | 0.093 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -94.3 | 163.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1339 T1364 | F1339-G1360 WeakPolarHBondContact O-CA 3.19Å; G1360-T1364 PolarHBondContact N-O 3.04Å |
| 1361 | D | 69.5 | Low | 78.2 | Confident | 70 Ų | 70 | 37.8 Ų | 37.8 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -35.2 | 171.5 | 57.1 | -2.7 | 0 | 0 | 0 | 113.6 | F1339 C1363 | F1339-D1361 WeakPolarHBondContact CB-OD1 3.49Å; F1339-D1361 VanDerWaalsContact CD1-OD2 3.25Å; F1339-D1361 WeakPolarHBondContact CD1-OD2 3.5Å; F1339-D1361 PolarHBondContact O-N 3.25Å; D1361-C1363 PolarHBondContact O-N 3.08Å; D1361-C1363 VanDerWaalsContact O-N 3.14Å |
| 1362 | N | 67 | Low | 78.9 | Confident | 125 Ų | 125 | 34.5 Ų | 34.5 | 67% | 0.668 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 24.7 | -178.4 | -66.1 | -26.5 | 0 | 0 | 0 | 113.9 | T1364 | N1362-T1364 HydrophobicContact CB-CG2 4.5Å; N1362-T1364 PolarHBondContact O-N 2.96Å; N1362-T1364 VanDerWaalsContact O-N 3.12Å |
| 1363 | C | 64.3 | Low | 79.2 | Confident | 131 Ų | 131 | 36.2 Ų | 36.2 | 89% | 0.885 | 21% | 0.209 | S | C | * | . | S | Bend | trans | 58.4 | 17.7 | -172.9 | -55.8 | 0 | 0 | 0 | 0 | 114.6 | D1361 | D1361-C1363 PolarHBondContact O-N 3.08Å; D1361-C1363 VanDerWaalsContact O-N 3.14Å |
| 1364 | T | 70.1 | Confident | 79.3 | Confident | 69 Ų | 69 | 39.3 Ų | 39.3 | 42% | 0.423 | 22% | 0.223 | S | C | . | . | trans | -83.4 | 142 | 173.2 | 52.4 | 0 | 0 | 0 | 0 | 110.6 | G1360 N1362 | G1360-T1364 PolarHBondContact N-O 3.04Å; N1362-T1364 HydrophobicContact CB-CG2 4.5Å; N1362-T1364 PolarHBondContact O-N 2.96Å; N1362-T1364 VanDerWaalsContact O-N 3.12Å | ||
| 1365 | A | 75.2 | Confident | 78.8 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 34% | 0.339 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y1357 L1358 | Y1357-A1365 HydrophobicContact CD2-CB 4.29Å; Y1357-A1365 HydrophobicContact CE2-CB 3.39Å; L1358-A1365 CarbonylContact O-C 3.6Å; L1358-A1365 WeakPolarHBondContact O-CA 3.16Å |
| 1366 | H | 81.3 | Confident | 78.5 | Confident | 45 Ų | 45 | 41.9 Ų | 41.9 | 21% | 0.208 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 141.3 | -178.2 | -61.2 | -80.1 | 0 | 0 | 0 | 110.8 | Y1296 L1336 L1358 | Y1296-H1366 AromaticContact CZ-ND1 3.68Å; Y1296-H1366 PolarHBondContact OH-ND1 2.87Å; Y1296-H1366 VanDerWaalsContact OH-ND1 3.15Å; L1336-H1366 HydrophobicContact CD1-CB 3.83Å; L1358-H1366 HydrophobicContact CB-CB 4.48Å; L1358-H1366 PolarHBondContact N-O 3.28Å; L1358-H1366 PolarHBondContact O-N 2.81Å |
| 1367 | F | 83.7 | Confident | 78.1 | Confident | 29 Ų | 29 | 41.5 Ų | 41.5 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.1 | 175.7 | -64.7 | -83.8 | 0 | 0 | 0 | 110.9 | L1356 Y1357 A1386 C1426 N1428 | L1356-F1367 WeakPolarHBondContact O-CA 3.28Å; Y1357-F1367 HydrophobicContact CD2-CD1 4.04Å; Y1357-F1367 AromaticContact CD2-CE1 3.44Å; Y1357-F1367 HydrophobicContact CD2-CE1 3.44Å; Y1357-F1367 VanDerWaalsContact CD2-CE1 3.44Å; Y1357-F1367 HydrophobicContact CD2-CE2 4.47Å; Y1357-F1367 AromaticContact CD2-CZ 3.69Å; Y1357-F1367 HydrophobicContact CD2-CZ 3.69Å; Y1357-F1367 HydrophobicContact CE2-CE1 4.03Å; Y1357-F1367 HydrophobicContact CE2-CE2 4.45Å; Y1357-F1367 AromaticContact CE2-CZ 3.78Å; Y1357-F1367 HydrophobicContact CE2-CZ 3.78Å; Y1357-F1367 HydrophobicContact CG-CE1 4.39Å; F1367-A1386 HydrophobicContact CB-CB 3.83Å; F1367-A1386 WeakPolarHBondContact O-CB 3.13Å; F1367-A1386 PolarHBondContact O-N 3.08Å; F1367-C1426 HydrophobicContact CE2-CB 4.06Å; F1367-C1426 HydrophobicContact CZ-CB 3.92Å; F1367-N1428 HydrophobicContact CE1-CB 4.16Å |
| 1368 | L | 86.7 | Confident | 78.2 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.5 | 179.7 | -159.7 | 93.1 | 0 | 0 | 0 | 109.6 | I1298 L1336 T1355 L1356 L1358 F1383 S1384 | I1298-L1368 HydrophobicContact CD1-CD1 4.38Å; I1298-L1368 HydrophobicContact CD1-CD2 4.21Å; L1336-L1368 HydrophobicContact CD2-CD1 3.97Å; T1355-L1368 CarbonylContact C-O 3.5Å; T1355-L1368 WeakPolarHBondContact CA-O 3.4Å; L1356-L1368 HydrophobicContact CB-CB 4.42Å; L1356-L1368 PolarHBondContact N-O 3.38Å; L1356-L1368 PolarHBondContact O-N 3.43Å; L1358-L1368 HydrophobicContact CD1-CB 3.65Å; L1368-F1383 HydrophobicContact CD2-CB 3.92Å; L1368-F1383 HydrophobicContact CD2-CD1 3.63Å; L1368-F1383 HydrophobicContact CD2-CG 4.1Å; L1368-F1383 HydrophobicContact CG-CB 4.4Å; L1368-S1384 CarbonylContact C-O 3.59Å; L1368-S1384 WeakPolarHBondContact CA-O 3.45Å |
| 1369 | L | 86.2 | Confident | 78.3 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 126.5 | 173.4 | 177.5 | 66.3 | 0 | 0 | 0 | 109.3 | T1355 E1371 F1383 S1384 A1386 L1389 | T1355-L1369 HydrophobicContact CG2-CD1 4.12Å; L1369-E1371 HydrophobicContact CD2-CG 4.27Å; L1369-E1371 HydrophobicContact CG-CG 4.19Å; L1369-F1383 WeakPolarHBondContact O-CA 3.45Å; L1369-S1384 PolarHBondContact N-O 3.32Å; L1369-S1384 PolarHBondContact O-N 3.27Å; L1369-A1386 HydrophobicContact CB-CB 4.09Å; L1369-L1389 HydrophobicContact CD2-CD1 4.38Å |
| 1370 | V | 86.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.7 | 173.8 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | F1346 S1353 F1354 L1356 I1372 V1381 K1382 F1383 | F1346-V1370 HydrophobicContact CE2-CG1 4.24Å; F1346-V1370 HydrophobicContact CZ-CG1 4.42Å; S1353-V1370 CarbonylContact C-O 3.56Å; S1353-V1370 WeakPolarHBondContact CA-O 3.16Å; S1353-V1370 WeakPolarHBondContact CB-O 3.18Å; F1354-V1370 HydrophobicContact CE1-CB 4.33Å; F1354-V1370 HydrophobicContact CE1-CG1 4.34Å; F1354-V1370 HydrophobicContact CE2-CB 4.09Å; F1354-V1370 HydrophobicContact CE2-CG2 4.05Å; F1354-V1370 HydrophobicContact CZ-CB 3.97Å; F1354-V1370 HydrophobicContact CZ-CG1 4.04Å; F1354-V1370 HydrophobicContact CZ-CG2 4.28Å; F1354-V1370 PolarHBondContact N-O 2.92Å; F1354-V1370 PolarHBondContact O-N 2.76Å; L1356-V1370 HydrophobicContact CD1-CG2 3.42Å; L1356-V1370 VanDerWaalsContact CD1-CG2 3.42Å; L1356-V1370 HydrophobicContact CG-CG2 3.74Å; V1370-I1372 HydrophobicContact CG1-CG1 4.19Å; V1370-V1381 HydrophobicContact CG1-CG1 3.91Å; V1370-K1382 CarbonylContact C-O 3.45Å; V1370-K1382 VanDerWaalsContact CA-O 3.31Å; V1370-K1382 WeakPolarHBondContact CA-O 3.3Å; V1370-F1383 HydrophobicContact CG1-CD1 4.39Å; V1370-F1383 HydrophobicContact CG1-CE1 4.01Å; V1370-F1383 HydrophobicContact CG2-CD1 3.96Å; V1370-F1383 HydrophobicContact CG2-CE1 3.98Å |
| 1371 | E | 84.4 | Confident | 79.1 | Confident | 45 Ų | 45 | 44.3 Ų | 44.3 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.5 | 172.2 | -55.5 | -172.4 | 140.5 | 0 | 0 | 110.8 | L1369 V1381 K1382 | L1369-E1371 HydrophobicContact CD2-CG 4.27Å; L1369-E1371 HydrophobicContact CG-CG 4.19Å; E1371-V1381 CarbonylContact O-C 3.46Å; E1371-V1381 WeakPolarHBondContact O-CA 3.43Å; E1371-K1382 HydrophobicContact CB-CB 4.29Å; E1371-K1382 PolarHBondContact N-O 2.94Å; E1371-K1382 PolarHBondContact O-N 2.82Å |
| 1372 | I | 85.2 | Confident | 80 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 110 | 178.4 | -56.6 | 166.1 | 0 | 0 | 0 | 108.7 | V1348 R1350 L1351 T1352 F1354 V1370 Y1379 V1381 | V1348-I1372 HydrophobicContact CG1-CD1 4.15Å; R1350-I1372 WeakPolarHBondContact O-CB 3.48Å; R1350-I1372 WeakPolarHBondContact O-CG2 3.05Å; L1351-I1372 WeakPolarHBondContact CA-O 3.29Å; T1352-I1372 HydrophobicContact CG2-CD1 4.09Å; T1352-I1372 PolarHBondContact O-N 2.99Å; F1354-I1372 HydrophobicContact CE1-CD1 4.3Å; V1370-I1372 HydrophobicContact CG1-CG1 4.19Å; I1372-Y1379 HydrophobicContact CG2-CD1 4.15Å; I1372-V1381 HydrophobicContact CG1-CG1 4.17Å; I1372-V1381 HydrophobicContact CG1-CG2 4.34Å |
| 1373 | V | 78.3 | Confident | 81.1 | Confident | 64 Ų | 64 | 37.5 Ų | 37.5 | 39% | 0.388 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 153.4 | 179.1 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | Y1379 R1380 | V1373-Y1379 WeakPolarHBondContact O-CA 3.39Å; V1373-R1380 HydrophobicContact CG2-CB 3.93Å; V1373-R1380 PolarHBondContact N-O 2.89Å; V1373-R1380 PolarHBondContact O-N 2.79Å |
| 1374 | L | 76.1 | Confident | 82.1 | Confident | 79 Ų | 79 | 32.4 Ų | 32.4 | 41% | 0.414 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 117 | 175.9 | -172.2 | 69.9 | 0 | 0 | 0 | 109.5 | L1351 Y1379 | L1351-L1374 HydrophobicContact CD1-CB 4.46Å; L1351-L1374 HydrophobicContact CD2-CB 3.83Å; L1374-Y1379 HydrophobicContact CD1-CD1 4.04Å; L1374-Y1379 HydrophobicContact CD1-CE1 4.06Å; L1374-Y1379 HydrophobicContact CD1-CG 4.32Å |
| 1375 | D | 69.5 | Low | 82.6 | Confident | 81 Ų | 81 | 30.6 Ų | 30.6 | 43% | 0.433 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 98.2 | 174.4 | -171.8 | 9.3 | 0 | 0 | 0 | 109.6 | A1377 M1378 R1380 | D1375-A1377 PolarHBondContact O-N 3.16Å; D1375-A1377 VanDerWaalsContact O-N 3.09Å; D1375-M1378 PolarHBondContact N-O 3.06Å; D1375-M1378 WeakPolarHBondContact O-CB 3.33Å; D1375-M1378 PolarHBondContact O-N 3.34Å; D1375-R1380 IonicContact OD2-CZ 3.28Å; D1375-R1380 IonicContact OD2-NH1 3.7Å; D1375-R1380 PolarHBondContact OD2-NH1 2.93Å; D1375-R1380 IonicContact OD2-NH2 3.77Å; D1375-R1380 PolarHBondContact OD2-NH2 2.86Å |
| 1376 | G | 73.4 | Confident | 82.5 | Confident | 16 Ų | 16 | 28.8 Ų | 28.8 | 17% | 0.165 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -113.3 | -170 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 1377 | A | 78 | Confident | 82.1 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -9.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1246 F1248 R1287 D1375 | I1246-A1377 HydrophobicContact CG2-CB 3.79Å; F1248-A1377 HydrophobicContact CD1-CB 4.32Å; F1248-A1377 HydrophobicContact CE1-CB 3.47Å; F1248-A1377 VanDerWaalsContact CE1-CB 3.47Å; F1248-A1377 WeakPolarHBondContact CE1-O 3.49Å; F1248-A1377 HydrophobicContact CZ-CB 3.79Å; R1287-A1377 PolarHBondContact NH1-O 2.98Å; D1375-A1377 PolarHBondContact O-N 3.16Å; D1375-A1377 VanDerWaalsContact O-N 3.09Å |
| 1378 | M | 83.3 | Confident | 81.4 | Confident | 19 Ų | 19 | 36.5 Ų | 36.5 | 9% | 0.094 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.3 | -169.7 | -179.9 | -169.8 | -70.2 | 0 | 0 | 111.1 | T1285 L1289 D1375 R1380 | T1285-M1378 HydrophobicContact CG2-CE 3.86Å; L1289-M1378 HydrophobicContact CB-CE 4.34Å; L1289-M1378 HydrophobicContact CB-CG 3.8Å; L1289-M1378 HydrophobicContact CB-SD 3.32Å; L1289-M1378 WeakPolarHBondContact CB-SD 3.43Å; L1289-M1378 HydrophobicContact CD2-CE 4.45Å; L1289-M1378 HydrophobicContact CD2-SD 3.47Å; L1289-M1378 WeakPolarHBondContact CD2-SD 3.33Å; L1289-M1378 HydrophobicContact CG-SD 3.99Å; D1375-M1378 PolarHBondContact N-O 3.06Å; D1375-M1378 WeakPolarHBondContact O-CB 3.33Å; D1375-M1378 PolarHBondContact O-N 3.34Å; M1378-R1380 PolarHBondContact O-N 2.95Å |
| 1379 | Y | 85.7 | Confident | 80.6 | Confident | 30 Ų | 30 | 37.6 Ų | 37.6 | 12% | 0.118 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 113.3 | 160.5 | -71.5 | -75.1 | 0 | 0 | 0 | 108.3 | R1287 Y1288 L1289 D1349 L1351 I1372 V1373 L1374 | R1287-Y1379 HydrophobicContact CG-CD2 4.33Å; R1287-Y1379 PolarHBondContact O-N 3.26Å; Y1288-Y1379 WeakPolarHBondContact CA-O 3.39Å; Y1288-Y1379 HydrophobicContact CD1-CD2 4.09Å; Y1288-Y1379 HydrophobicContact CD1-CG 4.32Å; Y1288-Y1379 AromaticContact CE1-CD2 3.66Å; Y1288-Y1379 HydrophobicContact CE1-CD2 3.66Å; Y1288-Y1379 HydrophobicContact CE1-CE2 4.37Å; Y1288-Y1379 HydrophobicContact CE1-CG 4.2Å; L1289-Y1379 PolarHBondContact N-O 3.08Å; D1349-Y1379 HydrophobicContact CB-CE2 4.31Å; D1349-Y1379 WeakPolarHBondContact O-CE1 3.26Å; D1349-Y1379 PolarHBondContact O-OH 3.15Å; L1351-Y1379 HydrophobicContact CD2-CD1 4.24Å; L1351-Y1379 HydrophobicContact CD2-CE1 4.09Å; I1372-Y1379 HydrophobicContact CG2-CD1 4.15Å; V1373-Y1379 WeakPolarHBondContact O-CA 3.39Å; L1374-Y1379 HydrophobicContact CD1-CD1 4.04Å; L1374-Y1379 HydrophobicContact CD1-CE1 4.06Å; L1374-Y1379 HydrophobicContact CD1-CG 4.32Å |
| 1380 | R | 87.1 | Confident | 79.9 | Confident | 66 Ų | 66 | 39.2 Ų | 39.2 | 25% | 0.249 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 113.7 | 171.9 | -176 | 178.6 | -72.2 | 127.2 | 5.3 | 107.9 | L1289 V1291 V1373 D1375 M1378 K1382 | L1289-R1380 HydrophobicContact CD2-CG 4.4Å; L1289-R1380 WeakPolarHBondContact O-CA 3.07Å; V1291-R1380 HydrophobicContact CG2-CG 3.82Å; V1373-R1380 HydrophobicContact CG2-CB 3.93Å; V1373-R1380 PolarHBondContact N-O 2.89Å; V1373-R1380 PolarHBondContact O-N 2.79Å; D1375-R1380 IonicContact OD2-CZ 3.28Å; D1375-R1380 IonicContact OD2-NH1 3.7Å; D1375-R1380 PolarHBondContact OD2-NH1 2.93Å; D1375-R1380 IonicContact OD2-NH2 3.77Å; D1375-R1380 PolarHBondContact OD2-NH2 2.86Å; M1378-R1380 PolarHBondContact O-N 2.95Å; R1380-K1382 HydrophobicContact CG-CG 4.13Å |
| 1381 | V | 89.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 112 | 176.8 | -173.3 | 0 | 0 | 0 | 0 | 107 | L1289 L1290 V1291 V1348 V1370 E1371 I1372 F1383 | L1289-V1381 PolarHBondContact O-N 3.21Å; L1290-V1381 WeakPolarHBondContact CA-O 3.45Å; L1290-V1381 HydrophobicContact CD2-CB 3.88Å; L1290-V1381 HydrophobicContact CD2-CG1 4.46Å; L1290-V1381 HydrophobicContact CD2-CG2 4.12Å; V1291-V1381 PolarHBondContact N-O 2.85Å; V1348-V1381 HydrophobicContact CB-CG2 4.4Å; V1348-V1381 HydrophobicContact CG1-CG1 4.17Å; V1348-V1381 HydrophobicContact CG1-CG2 3.62Å; V1370-V1381 HydrophobicContact CG1-CG1 3.91Å; E1371-V1381 CarbonylContact O-C 3.46Å; E1371-V1381 WeakPolarHBondContact O-CA 3.43Å; I1372-V1381 HydrophobicContact CG1-CG1 4.17Å; I1372-V1381 HydrophobicContact CG1-CG2 4.34Å; V1381-F1383 HydrophobicContact CG1-CE1 3.9Å; V1381-F1383 HydrophobicContact CG1-CE2 4.16Å; V1381-F1383 HydrophobicContact CG1-CZ 3.56Å |
| 1382 | K | 88.4 | Confident | 78.8 | Confident | 52 Ų | 52 | 40 Ų | 40 | 23% | 0.226 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139.4 | 179.9 | -64.5 | -172.2 | 163.5 | -144.9 | 0 | 110.8 | V1291 E1293 V1370 E1371 R1380 | V1291-K1382 HydrophobicContact CB-CG 4.2Å; V1291-K1382 CarbonylContact O-C 3.28Å; V1291-K1382 WeakPolarHBondContact O-CA 3.32Å; E1293-K1382 IonicContact OE1-NZ 3.51Å; E1293-K1382 PolarHBondContact OE1-NZ 2.76Å; V1370-K1382 CarbonylContact C-O 3.45Å; V1370-K1382 VanDerWaalsContact CA-O 3.31Å; V1370-K1382 WeakPolarHBondContact CA-O 3.3Å; E1371-K1382 HydrophobicContact CB-CB 4.29Å; E1371-K1382 PolarHBondContact N-O 2.94Å; E1371-K1382 PolarHBondContact O-N 2.82Å; R1380-K1382 HydrophobicContact CG-CG 4.13Å |
| 1383 | F | 89.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.2 | 175.2 | -57.4 | -66.1 | 0 | 0 | 0 | 109.7 | L1290 V1291 E1293 S1294 I1298 M1332 I1334 L1368 L1369 V1370 V1381 | L1290-F1383 HydrophobicContact CB-CE2 4.23Å; L1290-F1383 HydrophobicContact CD2-CE2 4.4Å; V1291-F1383 PolarHBondContact O-N 3.33Å; E1293-F1383 CarbonylContact C-O 3.6Å; E1293-F1383 WeakPolarHBondContact CA-O 3.22Å; E1293-F1383 WeakPolarHBondContact CB-O 3.07Å; E1293-F1383 PolarHBondContact N-O 2.71Å; S1294-F1383 PolarHBondContact N-O 2.95Å; I1298-F1383 HydrophobicContact CD1-CB 3.49Å; I1298-F1383 VanDerWaalsContact CD1-CB 3.49Å; I1298-F1383 HydrophobicContact CD1-CD2 3.95Å; I1298-F1383 HydrophobicContact CD1-CG 3.75Å; M1332-F1383 HydrophobicContact SD-CZ 3.97Å; I1334-F1383 HydrophobicContact CD1-CD1 4.02Å; I1334-F1383 HydrophobicContact CD1-CE1 3.16Å; I1334-F1383 HydrophobicContact CD1-CZ 3.48Å; I1334-F1383 VanDerWaalsContact CD1-CZ 3.48Å; L1368-F1383 HydrophobicContact CD2-CB 3.92Å; L1368-F1383 HydrophobicContact CD2-CD1 3.63Å; L1368-F1383 HydrophobicContact CD2-CG 4.1Å; L1368-F1383 HydrophobicContact CG-CB 4.4Å; L1369-F1383 WeakPolarHBondContact O-CA 3.45Å; V1370-F1383 HydrophobicContact CG1-CD1 4.39Å; V1370-F1383 HydrophobicContact CG1-CE1 4.01Å; V1370-F1383 HydrophobicContact CG2-CD1 3.96Å; V1370-F1383 HydrophobicContact CG2-CE1 3.98Å; V1381-F1383 HydrophobicContact CG1-CE1 3.9Å; V1381-F1383 HydrophobicContact CG1-CE2 4.16Å; V1381-F1383 HydrophobicContact CG1-CZ 3.56Å |
| 1384 | S | 85.2 | Confident | 79.1 | Confident | 24 Ų | 24 | 38.1 Ų | 38.1 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 159 | 177.5 | 57.8 | 0 | 0 | 0 | 0 | 111.8 | L1368 L1369 | L1368-S1384 CarbonylContact C-O 3.59Å; L1368-S1384 WeakPolarHBondContact CA-O 3.45Å; L1369-S1384 PolarHBondContact N-O 3.32Å; L1369-S1384 PolarHBondContact O-N 3.27Å |
| 1385 | G | 80.1 | Confident | 79.7 | Confident | 31 Ų | 31 | 34.4 Ų | 34.4 | 32% | 0.32 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 132.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1386 | A | 74.1 | Confident | 80.6 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | trans | -106.8 | 4.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1355 F1367 L1369 H1388 L1389 | T1355-A1386 HydrophobicContact CG2-CB 3.93Å; F1367-A1386 HydrophobicContact CB-CB 3.83Å; F1367-A1386 WeakPolarHBondContact O-CB 3.13Å; F1367-A1386 PolarHBondContact O-N 3.08Å; L1369-A1386 HydrophobicContact CB-CB 4.09Å; A1386-H1388 PolarHBondContact O-N 3.21Å; A1386-H1388 VanDerWaalsContact O-N 3.11Å; A1386-L1389 HydrophobicContact CB-CD1 4.33Å; A1386-L1389 WeakPolarHBondContact O-CB 3.48Å; A1386-L1389 PolarHBondContact O-N 2.87Å | ||
| 1387 | D | 72.3 | Confident | 81.4 | Confident | 99 Ų | 99 | 32 Ų | 32 | 53% | 0.529 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.2 | -173.3 | -54.4 | -35.2 | 0 | 0 | 0 | 114.1 | L1389 | D1387-L1389 VanDerWaalsContact C-N 3.3Å; D1387-L1389 PolarHBondContact O-N 3.32Å |
| 1388 | H | 70.1 | Confident | 81.6 | Confident | 136 Ų | 136 | 34 Ų | 34 | 63% | 0.63 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -10.6 | 172.9 | 68 | -22 | 0 | 0 | 0 | 114.8 | A1386 | A1386-H1388 PolarHBondContact O-N 3.21Å; A1386-H1388 VanDerWaalsContact O-N 3.11Å |
| 1389 | L | 69.8 | Low | 81.7 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 13% | 0.126 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -93.1 | 145.7 | -179.2 | -65.7 | 168.8 | 0 | 0 | 0 | 110.1 | L1369 A1386 D1387 L1865 | L1369-L1389 HydrophobicContact CD2-CD1 4.38Å; A1386-L1389 HydrophobicContact CB-CD1 4.33Å; A1386-L1389 WeakPolarHBondContact O-CB 3.48Å; A1386-L1389 PolarHBondContact O-N 2.87Å; D1387-L1389 VanDerWaalsContact C-N 3.3Å; D1387-L1389 PolarHBondContact O-N 3.32Å; L1389-L1865 HydrophobicContact CD1-CD1 3.93Å; L1389-L1865 HydrophobicContact CD2-CD1 3.42Å; L1389-L1865 VanDerWaalsContact CD2-CD1 3.42Å; L1389-L1865 HydrophobicContact CG-CD1 4.32Å |
| 1390 | P | 70 | Confident | 81.5 | Confident | 50 Ų | 50 | 35.6 Ų | 35.6 | 33% | 0.325 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -61.1 | 133.7 | 173.1 | 26.4 | -33.5 | 0 | 0 | 0 | 109.9 | P1658 L1809 | P1390-P1658 HydrophobicContact CB-CG 4.46Å; P1390-P1658 HydrophobicContact CG-CG 3.68Å; P1390-L1809 HydrophobicContact CG-CD2 4.35Å |
| 1391 | P | 73.9 | Confident | 81.2 | Confident | 29 Ų | 29 | 32.4 Ų | 32.4 | 19% | 0.188 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 144.2 | -178 | 25.3 | -34.8 | 0 | 0 | 0 | 110.7 | I1393 T1394 C1426 T1659 | P1391-I1393 VanDerWaalsContact C-N 3.31Å; P1391-I1393 PolarHBondContact O-N 3.05Å; P1391-T1394 HydrophobicContact CB-CG2 4.49Å; P1391-T1394 HydrophobicContact CG-CG2 3.57Å; P1391-C1426 HydrophobicContact CB-CB 3.84Å; P1391-C1426 HydrophobicContact CG-CB 4.06Å; P1391-T1659 WeakPolarHBondContact O-CB 3.42Å; P1391-T1659 WeakPolarHBondContact O-CG2 3.3Å; P1391-T1659 PolarHBondContact O-OG1 2.76Å |
| 1392 | P | 75.6 | Confident | 81 | Confident | 31 Ų | 31 | 34.4 Ų | 34.4 | 20% | 0.201 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -62.5 | -36 | -178.3 | -26.1 | 36.7 | 0 | 0 | 0 | 113.6 | T1355 N1428 T1659 R1660 | T1355-P1392 WeakPolarHBondContact OG1-CG 3.31Å; P1392-N1428 HydrophobicContact CB-CB 4.37Å; P1392-N1428 HydrophobicContact CG-CB 3.98Å; P1392-T1659 WeakPolarHBondContact O-CA 3.36Å; P1392-R1660 PolarHBondContact O-N 3.24Å |
| 1393 | I | 84.2 | Confident | 80.9 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 131.3 | 179 | -54.6 | 166 | 0 | 0 | 0 | 108.3 | P1391 L1395 Y1427 W1429 L1452 R1660 V1662 | P1391-I1393 VanDerWaalsContact C-N 3.31Å; P1391-I1393 PolarHBondContact O-N 3.05Å; I1393-L1395 HydrophobicContact CG2-CG 4.31Å; I1393-Y1427 HydrophobicContact CB-CD1 4.25Å; I1393-Y1427 WeakPolarHBondContact CB-O 3.44Å; I1393-Y1427 HydrophobicContact CD1-CD1 3.83Å; I1393-Y1427 HydrophobicContact CD1-CE1 4.24Å; I1393-Y1427 HydrophobicContact CG2-CD1 4.32Å; I1393-Y1427 PolarHBondContact N-O 2.82Å; I1393-Y1427 PolarHBondContact O-N 3.01Å; I1393-Y1427 VanDerWaalsContact O-O 3.11Å; I1393-W1429 HydrophobicContact CD1-CD2 4.19Å; I1393-W1429 HydrophobicContact CD1-CH2 4.46Å; I1393-W1429 HydrophobicContact CD1-CZ2 4.06Å; I1393-L1452 HydrophobicContact CD1-CD1 3.5Å; I1393-L1452 VanDerWaalsContact CD1-CD1 3.5Å; I1393-L1452 HydrophobicContact CG1-CD1 3.77Å; I1393-L1452 HydrophobicContact CG2-CD1 4.24Å; I1393-R1660 CarbonylContact C-O 3.54Å; I1393-R1660 VanDerWaalsContact CA-O 3.3Å; I1393-R1660 WeakPolarHBondContact CA-O 3.47Å; I1393-V1662 HydrophobicContact CG2-CG2 4.37Å |
| 1394 | T | 85.8 | Confident | 80.8 | Confident | 27 Ų | 27 | 32.7 Ų | 32.7 | 17% | 0.166 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 115.5 | 170.4 | 49.5 | 0 | 0 | 0 | 0 | 109 | P1391 T1659 R1660 Q1661 V1662 | P1391-T1394 HydrophobicContact CB-CG2 4.49Å; P1391-T1394 HydrophobicContact CG-CG2 3.57Å; T1394-T1659 HydrophobicContact CG2-CG2 3.54Å; T1394-T1659 WeakPolarHBondContact OG1-CG2 3.35Å; T1394-R1660 PolarHBondContact N-O 2.89Å; T1394-Q1661 CarbonylContact O-C 3.59Å; T1394-Q1661 VanDerWaalsContact O-CA 3.32Å; T1394-Q1661 WeakPolarHBondContact O-CA 3.47Å; T1394-Q1661 WeakPolarHBondContact OG1-CA 3.34Å; T1394-Q1661 WeakPolarHBondContact OG1-CB 3.37Å; T1394-V1662 PolarHBondContact O-N 3.44Å |
| 1395 | L | 87.7 | Confident | 81.1 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 126.6 | 175.7 | -69.5 | 156.4 | 0 | 0 | 0 | 108 | I1393 F1405 L1419 F1424 A1425 Y1427 L1438 L1440 V1662 | I1393-L1395 HydrophobicContact CG2-CG 4.31Å; L1395-F1405 HydrophobicContact CD1-CB 4.25Å; L1395-F1405 HydrophobicContact CD1-CD1 4.03Å; L1395-F1405 HydrophobicContact CD1-CD2 3.35Å; L1395-F1405 HydrophobicContact CD1-CE1 4.2Å; L1395-F1405 HydrophobicContact CD1-CE2 3.54Å; L1395-F1405 HydrophobicContact CD1-CG 3.61Å; L1395-F1405 HydrophobicContact CD1-CZ 3.96Å; L1395-L1419 HydrophobicContact CB-CD2 3.8Å; L1395-F1424 CarbonylContact O-C 3.53Å; L1395-F1424 WeakPolarHBondContact O-CA 3.48Å; L1395-F1424 WeakPolarHBondContact O-CB 3.38Å; L1395-A1425 PolarHBondContact N-O 3.3Å; L1395-A1425 PolarHBondContact O-N 3.28Å; L1395-Y1427 HydrophobicContact CD1-CD1 4.3Å; L1395-Y1427 HydrophobicContact CD1-CG 4.22Å; L1395-L1438 HydrophobicContact CD2-CD2 3.62Å; L1395-L1440 HydrophobicContact CD2-CD2 4.36Å; L1395-V1662 CarbonylContact C-O 3.58Å; L1395-V1662 WeakPolarHBondContact CA-O 3.44Å; L1395-V1662 HydrophobicContact CD2-CB 3.61Å; L1395-V1662 HydrophobicContact CD2-CG1 3.74Å; L1395-V1662 HydrophobicContact CD2-CG2 4.15Å |
| 1396 | L | 87.9 | Confident | 81.5 | Confident | 45 Ų | 45 | 32.1 Ų | 32.1 | 24% | 0.236 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 117.2 | 176.8 | 177.6 | 70.2 | 0 | 0 | 0 | 108.3 | T1398 F1424 V1662 A1663 I1664 | L1396-T1398 HydrophobicContact CD1-CG2 4.35Å; L1396-T1398 HydrophobicContact CD2-CG2 3.77Å; L1396-T1398 HydrophobicContact CG-CG2 3.77Å; L1396-F1424 HydrophobicContact CD1-CB 3.85Å; L1396-V1662 PolarHBondContact N-O 2.91Å; L1396-A1663 HydrophobicContact CB-CB 4.45Å; L1396-A1663 HydrophobicContact CD2-CB 4.4Å; L1396-A1663 CarbonylContact O-C 3.59Å; L1396-A1663 WeakPolarHBondContact O-CA 3.35Å; L1396-I1664 PolarHBondContact O-N 3.41Å |
| 1397 | N | 90.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 107.1 | 173.4 | -174.5 | 8 | 0 | 0 | 0 | 108.9 | S1399 V1401 L1419 V1420 H1422 E1423 | N1397-S1399 WeakPolarHBondContact OD1-CB 3.08Å; N1397-S1399 PolarHBondContact OD1-N 2.96Å; N1397-S1399 PolarHBondContact OD1-OG 3.42Å; N1397-V1401 PolarHBondContact ND2-O 3.2Å; N1397-L1419 HydrophobicContact CB-CD2 3.61Å; N1397-L1419 HydrophobicContact CB-CG 3.7Å; N1397-L1419 PolarHBondContact ND2-O 3.01Å; N1397-V1420 PolarHBondContact ND2-O 3.45Å; N1397-H1422 CarbonylContact O-C 3.48Å; N1397-H1422 WeakPolarHBondContact O-CA 3.38Å; N1397-H1422 PolarHBondContact O-N 3.3Å; N1397-E1423 PolarHBondContact N-O 3.36Å; N1397-E1423 PolarHBondContact O-N 2.83Å |
| 1398 | T | 82.5 | Confident | 82.9 | Confident | 45 Ų | 45 | 31.4 Ų | 31.4 | 28% | 0.276 | 17% | 0.168 | S | C | . | . | trans | -102.3 | 6 | 173.6 | 63.8 | 0 | 0 | 0 | 0 | 112.6 | L1396 H1422 I1664 Y1665 | L1396-T1398 HydrophobicContact CD1-CG2 4.35Å; L1396-T1398 HydrophobicContact CD2-CG2 3.77Å; L1396-T1398 HydrophobicContact CG-CG2 3.77Å; T1398-H1422 PolarHBondContact O-CE1 3.07Å; T1398-I1664 WeakPolarHBondContact CA-O 3.31Å; T1398-I1664 PolarHBondContact N-O 3.03Å; T1398-I1664 PolarHBondContact OG1-O 2.94Å; T1398-Y1665 HydrophobicContact CG2-CE1 4.4Å; T1398-Y1665 WeakPolarHBondContact OG1-CD1 3.31Å | ||
| 1399 | S | 85.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -87.2 | 164.4 | 176.3 | 78.7 | 0 | 0 | 0 | 0 | 111.2 | N1397 V1401 P1421 L1649 I1664 | N1397-S1399 WeakPolarHBondContact OD1-CB 3.08Å; N1397-S1399 PolarHBondContact OD1-N 2.96Å; N1397-S1399 PolarHBondContact OD1-OG 3.42Å; S1399-V1401 PolarHBondContact O-N 2.81Å; S1399-V1401 PolarHBondContact OG-N 3.43Å; S1399-V1401 PolarHBondContact OG-O 2.95Å; S1399-P1421 WeakPolarHBondContact O-CA 3.36Å; S1399-P1421 WeakPolarHBondContact O-CB 3.49Å; S1399-L1649 VanDerWaalsContact CB-CD2 3.42Å; S1399-I1664 PolarHBondContact N-O 3.21Å |
| 1400 | D | 80.6 | Confident | 83.9 | Confident | 81 Ų | 81 | 26.2 Ų | 26.2 | 43% | 0.433 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -80.9 | 8.7 | 174.7 | -62.9 | -31.4 | 0 | 0 | 0 | 113.2 | H1422 P1644 | D1400-H1422 IonicContact OD1-CD2 3.85Å; D1400-H1422 IonicContact OD1-CE1 3.74Å; D1400-H1422 IonicContact OD1-NE2 2.8Å; D1400-H1422 PolarHBondContact OD1-NE2 3.34Å; D1400-P1644 HydrophobicContact CB-CB 4.03Å; D1400-P1644 WeakPolarHBondContact O-CB 3.3Å; D1400-P1644 WeakPolarHBondContact O-CG 3.42Å |
| 1401 | V | 81.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -116.8 | 131.1 | -171.8 | -174.7 | 0 | 0 | 0 | 0 | 110.7 | N1397 S1399 V1442 F1443 Y1463 P1644 | N1397-V1401 PolarHBondContact ND2-O 3.2Å; S1399-V1401 PolarHBondContact O-N 2.81Å; S1399-V1401 PolarHBondContact OG-N 3.43Å; S1399-V1401 PolarHBondContact OG-O 2.95Å; V1401-V1442 HydrophobicContact CG1-CB 4.43Å; V1401-V1442 HydrophobicContact CG1-CG1 3.54Å; V1401-V1442 HydrophobicContact CG1-CG2 4.04Å; V1401-F1443 HydrophobicContact CG1-CE1 4.45Å; V1401-F1443 HydrophobicContact CG1-CE2 3.77Å; V1401-F1443 HydrophobicContact CG1-CZ 3.69Å; V1401-Y1463 HydrophobicContact CG2-CE1 4.2Å; V1401-Y1463 HydrophobicContact CG2-CE2 4.41Å; V1401-Y1463 WeakPolarHBondContact CG2-OH 3.3Å; V1401-P1644 VanDerWaalsContact CG2-O 3.24Å; V1401-P1644 WeakPolarHBondContact CG2-O 3.38Å |
| 1402 | P | 85.6 | Confident | 84.1 | Confident | 42 Ų | 42 | 28.8 Ų | 28.8 | 27% | 0.273 | 18% | 0.178 | S | C | . | . | trans | -67.1 | 136.2 | 173.6 | 27.1 | -33.3 | 0 | 0 | 0 | 110.9 | T1418 L1419 F1443 | P1402-T1418 HydrophobicContact CB-CG2 3.86Å; P1402-L1419 WeakPolarHBondContact CA-O 3.39Å; P1402-F1443 HydrophobicContact CG-CE1 4.26Å | ||
| 1403 | V | 87.1 | Confident | 84.1 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 117.8 | -177.1 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | L1419 L1440 S1441 V1442 L1649 I1664 | V1403-L1419 PolarHBondContact N-O 3.46Å; V1403-L1419 WeakPolarHBondContact O-CB 3.41Å; V1403-L1419 PolarHBondContact O-N 3.35Å; V1403-L1440 HydrophobicContact CG1-CB 3.86Å; V1403-L1440 HydrophobicContact CG1-CD2 3.96Å; V1403-L1440 HydrophobicContact CG1-CG 4.34Å; V1403-S1441 WeakPolarHBondContact CA-O 3.35Å; V1403-V1442 HydrophobicContact CG2-CG2 3.92Å; V1403-L1649 HydrophobicContact CG2-CD1 4.46Å; V1403-I1664 HydrophobicContact CB-CD1 4.1Å; V1403-I1664 HydrophobicContact CG1-CD1 3.92Å; V1403-I1664 HydrophobicContact CG2-CD1 4.02Å |
| 1404 | T | 88 | Confident | 83.9 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 9% | 0.092 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 132.5 | 173.3 | 28.9 | 0 | 0 | 0 | 0 | 110.8 | S1417 T1418 L1440 S1441 | T1404-S1417 CarbonylContact C-O 3.47Å; T1404-S1417 VanDerWaalsContact CA-O 3.27Å; T1404-S1417 WeakPolarHBondContact CA-O 2.9Å; T1404-T1418 HydrophobicContact CG2-CG2 4.02Å; T1404-T1418 WeakPolarHBondContact CG2-OG1 3.37Å; T1404-L1440 CarbonylContact O-C 3.14Å; T1404-L1440 VanDerWaalsContact O-CA 3.29Å; T1404-L1440 WeakPolarHBondContact O-CA 3.24Å; T1404-S1441 WeakPolarHBondContact CB-OG 3.26Å; T1404-S1441 PolarHBondContact N-O 3.03Å; T1404-S1441 PolarHBondContact O-N 2.69Å; T1404-S1441 WeakPolarHBondContact OG1-CB 3.48Å; T1404-S1441 PolarHBondContact OG1-O 2.95Å; T1404-S1441 PolarHBondContact OG1-OG 2.96Å |
| 1405 | F | 89.6 | Confident | 83.8 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143 | -177.5 | 67.5 | -89.8 | 0 | 0 | 0 | 113.2 | L1395 S1417 L1419 A1425 Y1427 V1439 L1440 | L1395-F1405 HydrophobicContact CD1-CB 4.25Å; L1395-F1405 HydrophobicContact CD1-CD1 4.03Å; L1395-F1405 HydrophobicContact CD1-CD2 3.35Å; L1395-F1405 HydrophobicContact CD1-CE1 4.2Å; L1395-F1405 HydrophobicContact CD1-CE2 3.54Å; L1395-F1405 HydrophobicContact CD1-CG 3.61Å; L1395-F1405 HydrophobicContact CD1-CZ 3.96Å; F1405-S1417 VanDerWaalsContact CD1-O 3.23Å; F1405-S1417 WeakPolarHBondContact CD1-O 3.37Å; F1405-S1417 PolarHBondContact N-O 2.86Å; F1405-S1417 PolarHBondContact O-N 2.86Å; F1405-L1419 HydrophobicContact CD1-CB 3.97Å; F1405-L1419 HydrophobicContact CE1-CB 3.86Å; F1405-A1425 HydrophobicContact CE1-CB 4.24Å; F1405-A1425 HydrophobicContact CZ-CB 3.93Å; F1405-Y1427 HydrophobicContact CD2-CD2 4.22Å; F1405-Y1427 HydrophobicContact CD2-CE2 4.32Å; F1405-Y1427 HydrophobicContact CD2-CG 4.36Å; F1405-Y1427 AromaticContact CE2-CD2 3.65Å; F1405-Y1427 HydrophobicContact CE2-CD2 3.65Å; F1405-Y1427 HydrophobicContact CE2-CE2 4.07Å; F1405-Y1427 AromaticContact CE2-CG 3.97Å; F1405-Y1427 HydrophobicContact CE2-CG 3.97Å; F1405-V1439 VanDerWaalsContact CA-O 3.27Å; F1405-V1439 WeakPolarHBondContact CA-O 3.27Å; F1405-L1440 HydrophobicContact CB-CD2 3.61Å |
| 1406 | Y | 88.8 | Confident | 83.6 | Confident | 35 Ų | 35 | 40.6 Ų | 40.6 | 14% | 0.137 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 158.7 | 177.6 | 58 | -81.6 | 0 | 0 | 0 | 112.4 | L1415 R1416 V1439 | Y1406-L1415 WeakPolarHBondContact CB-O 3.33Å; Y1406-R1416 HydrophobicContact CD1-CG 3.96Å; Y1406-R1416 HydrophobicContact CG-CG 4.02Å; Y1406-V1439 HydrophobicContact CD1-CB 4.3Å; Y1406-V1439 HydrophobicContact CD2-CB 4.21Å; Y1406-V1439 HydrophobicContact CD2-CG2 4.41Å; Y1406-V1439 HydrophobicContact CE1-CB 3.96Å; Y1406-V1439 HydrophobicContact CE1-CG1 3.82Å; Y1406-V1439 HydrophobicContact CE2-CB 3.85Å; Y1406-V1439 HydrophobicContact CE2-CG1 4.15Å; Y1406-V1439 HydrophobicContact CE2-CG2 3.97Å; Y1406-V1439 HydrophobicContact CG-CB 4.41Å; Y1406-V1439 PolarHBondContact N-O 3.08Å; Y1406-V1439 VanDerWaalsContact N-O 3.11Å; Y1406-V1439 PolarHBondContact O-N 2.84Å; Y1406-V1439 WeakPolarHBondContact OH-CG1 2.85Å |
| 1407 | Q | 90.5 | Very high | 83.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 135.2 | 172.1 | -178.5 | 176.9 | 1.2 | 0 | 0 | 111.3 | G1409 C1410 Y1427 W1429 S1431 E1435 | Q1407-G1409 PolarHBondContact O-N 2.81Å; Q1407-C1410 WeakPolarHBondContact O-CB 3.4Å; Q1407-C1410 PolarHBondContact O-N 2.94Å; Q1407-C1410 VanDerWaalsContact O-N 3.12Å; Q1407-Y1427 PolarHBondContact N-OH 3.01Å; Q1407-W1429 HydrophobicContact CB-CE3 3.96Å; Q1407-W1429 HydrophobicContact CB-CZ3 4.29Å; Q1407-W1429 HydrophobicContact CG-CE3 3.62Å; Q1407-W1429 HydrophobicContact CG-CZ3 3.99Å; Q1407-S1431 PolarHBondContact NE2-O 2.65Å; Q1407-S1431 PolarHBondContact OE1-O 2.71Å; Q1407-E1435 PolarHBondContact NE2-O 3.19Å |
| 1408 | K | 85 | Confident | 83.2 | Confident | 87 Ų | 87 | 44 Ų | 44 | 38% | 0.378 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 132.6 | 176.6 | -170.3 | -170.3 | -171.5 | -176 | 0 | 111.6 | C1410 Q1437 V1439 | K1408-C1410 VanDerWaalsContact C-N 3.35Å; K1408-Q1437 HydrophobicContact CB-CB 3.86Å; K1408-Q1437 HydrophobicContact CD-CB 4.04Å; K1408-Q1437 PolarHBondContact N-O 3.02Å; K1408-V1439 HydrophobicContact CB-CG2 3.92Å; K1408-V1439 HydrophobicContact CG-CG2 4.33Å |
| 1409 | G | 79.7 | Confident | 83.4 | Confident | 49 Ų | 49 | 42.2 Ų | 42.2 | 51% | 0.505 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | -18.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1407 S1411 R1434 | Q1407-G1409 PolarHBondContact O-N 2.81Å; G1409-S1411 PolarHBondContact O-N 3.39Å; G1409-R1434 PolarHBondContact O-NH1 3.2Å |
| 1410 | C | 81.5 | Confident | 83.5 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.02 | 26% | 0.264 | C | S | . | . | trans | -79.2 | 107.8 | 172.1 | -60.8 | 0 | 0 | 0 | 0 | 109.2 | Q1407 K1408 L1415 | Q1407-C1410 WeakPolarHBondContact O-CB 3.4Å; Q1407-C1410 PolarHBondContact O-N 2.94Å; Q1407-C1410 VanDerWaalsContact O-N 3.12Å; K1408-C1410 VanDerWaalsContact C-N 3.35Å; C1410-L1415 HydrophobicContact CB-CB 4.3Å; C1410-L1415 HydrophobicContact CB-CD1 3.75Å | ||
| 1411 | S | 69.1 | Low | 83.7 | Confident | 95 Ų | 95 | 43.6 Ų | 43.6 | 66% | 0.664 | 25% | 0.254 | S | S | * | . | trans | -96 | -16.1 | -175.4 | 51.7 | 0 | 0 | 0 | 0 | 114.6 | G1409 | G1409-S1411 PolarHBondContact O-N 3.39Š| ||
| 1412 | A | 79.5 | Confident | 83.8 | Confident | 37 Ų | 37 | 49.3 Ų | 49.3 | 31% | 0.306 | 28% | 0.28 | S | S | . | . | trans | -69.4 | 136.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1414 L1415 | A1412-H1414 VanDerWaalsContact C-N 3.29Å; A1412-H1414 VanDerWaalsContact CB-CE1 3.42Å; A1412-H1414 WeakPolarHBondContact CB-CE1 3.24Å; A1412-H1414 PolarHBondContact O-N 3.15Å; A1412-L1415 HydrophobicContact CB-CD1 4.13Å; A1412-L1415 HydrophobicContact CB-CG 4.25Å; A1412-L1415 WeakPolarHBondContact O-CB 3.47Å; A1412-L1415 PolarHBondContact O-N 3.45Å | ||
| 1413 | D | 75.9 | Confident | 83.9 | Confident | 132 Ų | 132 | 52.4 Ų | 52.4 | 71% | 0.706 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -59.8 | -36.3 | -173.2 | -66.6 | -23.1 | 0 | 0 | 0 | 113.1 | L1415 R1416 | D1413-L1415 PolarHBondContact O-N 2.84Å; D1413-R1416 PolarHBondContact O-N 3.14Å; D1413-R1416 VanDerWaalsContact O-N 3.09Å |
| 1414 | H | 80.5 | Confident | 83.9 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 30% | 0.296 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -67.9 | -15.2 | 177.7 | 69.5 | -85.8 | 0 | 0 | 0 | 114.2 | Y1341 R1359 A1412 R1416 | Y1341-H1414 HydrophobicContact CD1-CB 4.26Å; Y1341-H1414 AromaticContact CD1-CD2 3.81Å; Y1341-H1414 AromaticContact CD1-CG 3.84Å; Y1341-H1414 HydrophobicContact CD2-CB 3.94Å; Y1341-H1414 AromaticContact CD2-CD2 3.7Å; Y1341-H1414 HydrophobicContact CE1-CB 4Å; Y1341-H1414 HydrophobicContact CE2-CB 3.65Å; Y1341-H1414 HydrophobicContact CG-CB 4.24Å; Y1341-H1414 AromaticContact CG-CD2 3.41Å; Y1341-H1414 VanDerWaalsContact CG-CD2 3.41Å; Y1341-H1414 AromaticContact CG-CG 3.84Å; Y1341-H1414 AromaticContact CG-NE2 3.96Å; R1359-H1414 WeakPolarHBondContact CD-O 2.97Å; R1359-H1414 PolarHBondContact NH1-O 3.38Å; A1412-H1414 VanDerWaalsContact C-N 3.29Å; A1412-H1414 VanDerWaalsContact CB-CE1 3.42Å; A1412-H1414 WeakPolarHBondContact CB-CE1 3.24Å; A1412-H1414 PolarHBondContact O-N 3.15Å; H1414-R1416 VanDerWaalsContact C-N 3.33Å |
| 1415 | L | 82.4 | Confident | 83.7 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.068 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -88.4 | 0.3 | 175.1 | -59.2 | 177.2 | 0 | 0 | 0 | 112.5 | R1359 Y1406 C1410 A1412 D1413 D1430 | R1359-L1415 VanDerWaalsContact CZ-C 3.46Å; R1359-L1415 VanDerWaalsContact CZ-O 3.25Å; R1359-L1415 PolarHBondContact NH1-O 2.96Å; R1359-L1415 PolarHBondContact NH2-O 3.5Å; Y1406-L1415 WeakPolarHBondContact CB-O 3.33Å; C1410-L1415 HydrophobicContact CB-CB 4.3Å; C1410-L1415 HydrophobicContact CB-CD1 3.75Å; A1412-L1415 HydrophobicContact CB-CD1 4.13Å; A1412-L1415 HydrophobicContact CB-CG 4.25Å; A1412-L1415 WeakPolarHBondContact O-CB 3.47Å; A1412-L1415 PolarHBondContact O-N 3.45Å; D1413-L1415 PolarHBondContact O-N 2.84Å; L1415-D1430 HydrophobicContact CD2-CB 4.3Å |
| 1416 | R | 83.4 | Confident | 83.5 | Confident | 101 Ų | 101 | 61.2 Ų | 61.2 | 38% | 0.381 | 34% | 0.338 | S | S | . | . | trans | -103 | 130.7 | 173.9 | -58 | -175.1 | -179 | -176.1 | 4.9 | 110.2 | Y1406 D1413 H1414 | Y1406-R1416 HydrophobicContact CD1-CG 3.96Å; Y1406-R1416 HydrophobicContact CG-CG 4.02Å; D1413-R1416 PolarHBondContact O-N 3.14Å; D1413-R1416 VanDerWaalsContact O-N 3.09Å; H1414-R1416 VanDerWaalsContact C-N 3.33Å | ||
| 1417 | S | 84.5 | Confident | 83.4 | Confident | 32 Ų | 32 | 59.6 Ų | 59.6 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 141.9 | 177.3 | -66 | 0 | 0 | 0 | 0 | 110.8 | R1359 T1404 F1405 | R1359-S1417 PolarHBondContact NH1-OG 2.98Å; T1404-S1417 CarbonylContact C-O 3.47Å; T1404-S1417 VanDerWaalsContact CA-O 3.27Å; T1404-S1417 WeakPolarHBondContact CA-O 2.9Å; F1405-S1417 VanDerWaalsContact CD1-O 3.23Å; F1405-S1417 WeakPolarHBondContact CD1-O 3.37Å; F1405-S1417 PolarHBondContact N-O 2.86Å; F1405-S1417 PolarHBondContact O-N 2.86Å |
| 1418 | T | 85.8 | Confident | 83.1 | Confident | 85 Ų | 85 | 60.2 Ų | 60.2 | 52% | 0.521 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 119.1 | 174.8 | -47.7 | 0 | 0 | 0 | 0 | 110.1 | P1402 T1404 | P1402-T1418 HydrophobicContact CB-CG2 3.86Å; T1404-T1418 HydrophobicContact CG2-CG2 4.02Å; T1404-T1418 WeakPolarHBondContact CG2-OG1 3.37Å |
| 1419 | L | 86.5 | Confident | 83.2 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 114.5 | 170.5 | -173.3 | 56.1 | 0 | 0 | 0 | 109.5 | L1395 N1397 P1402 V1403 F1405 E1423 A1425 | L1395-L1419 HydrophobicContact CB-CD2 3.8Å; N1397-L1419 HydrophobicContact CB-CD2 3.61Å; N1397-L1419 HydrophobicContact CB-CG 3.7Å; N1397-L1419 PolarHBondContact ND2-O 3.01Å; P1402-L1419 WeakPolarHBondContact CA-O 3.39Å; V1403-L1419 PolarHBondContact N-O 3.46Å; V1403-L1419 WeakPolarHBondContact O-CB 3.41Å; V1403-L1419 PolarHBondContact O-N 3.35Å; F1405-L1419 HydrophobicContact CD1-CB 3.97Å; F1405-L1419 HydrophobicContact CE1-CB 3.86Å; L1419-E1423 HydrophobicContact CD1-CB 4.21Å; L1419-A1425 HydrophobicContact CD1-CB 3.83Å |
| 1420 | V | 87.6 | Confident | 83.4 | Confident | 75 Ų | 75 | 55.9 Ų | 55.9 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | trans | -66.1 | 150.9 | -179.4 | -170.9 | 0 | 0 | 0 | 0 | 110 | N1397 E1423 | N1397-V1420 PolarHBondContact ND2-O 3.45Å; V1420-E1423 HydrophobicContact CB-CG 4.39Å; V1420-E1423 PolarHBondContact O-N 2.73Å | ||
| 1421 | P | 85.2 | Confident | 83.6 | Confident | 36 Ų | 36 | 55.9 Ų | 55.9 | 23% | 0.234 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 140.6 | 172.7 | -32.5 | 38.9 | 0 | 0 | 0 | 113.6 | S1399 E1423 | S1399-P1421 WeakPolarHBondContact O-CA 3.36Å; S1399-P1421 WeakPolarHBondContact O-CB 3.49Å; P1421-E1423 PolarHBondContact O-N 2.9Å |
| 1422 | H | 83.8 | Confident | 84 | Confident | 120 Ų | 120 | 54.9 Ų | 54.9 | 56% | 0.556 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 18.6 | 178.5 | -57.6 | -68.4 | 0 | 0 | 0 | 116.1 | N1397 T1398 D1400 | N1397-H1422 CarbonylContact O-C 3.48Å; N1397-H1422 WeakPolarHBondContact O-CA 3.38Å; N1397-H1422 PolarHBondContact O-N 3.3Å; T1398-H1422 PolarHBondContact O-CE1 3.07Å; D1400-H1422 IonicContact OD1-CD2 3.85Å; D1400-H1422 IonicContact OD1-CE1 3.74Å; D1400-H1422 IonicContact OD1-NE2 2.8Å; D1400-H1422 PolarHBondContact OD1-NE2 3.34Å |
| 1423 | E | 87.5 | Confident | 84 | Confident | 107 Ų | 107 | 56.3 Ų | 56.3 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | trans | -114.2 | 168.8 | 176.6 | -69.5 | -165 | 159.7 | 0 | 0 | 113.2 | N1397 L1419 V1420 P1421 | N1397-E1423 PolarHBondContact N-O 3.36Å; N1397-E1423 PolarHBondContact O-N 2.83Å; L1419-E1423 HydrophobicContact CD1-CB 4.21Å; V1420-E1423 HydrophobicContact CB-CG 4.39Å; V1420-E1423 PolarHBondContact O-N 2.73Å; P1421-E1423 PolarHBondContact O-N 2.9Å | ||
| 1424 | F | 86.5 | Confident | 84.3 | Confident | 141 Ų | 141 | 55.2 Ų | 55.2 | 62% | 0.618 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 151.2 | 173.8 | 73.5 | -85.8 | 0 | 0 | 0 | 111.8 | L1395 L1396 | L1395-F1424 CarbonylContact O-C 3.53Å; L1395-F1424 WeakPolarHBondContact O-CA 3.48Å; L1395-F1424 WeakPolarHBondContact O-CB 3.38Å; L1396-F1424 HydrophobicContact CD1-CB 3.85Å |
| 1425 | A | 85.1 | Confident | 84.3 | Confident | 21 Ų | 21 | 58 Ų | 58 | 17% | 0.174 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1395 F1405 L1419 | L1395-A1425 PolarHBondContact N-O 3.3Å; L1395-A1425 PolarHBondContact O-N 3.28Å; F1405-A1425 HydrophobicContact CE1-CB 4.24Å; F1405-A1425 HydrophobicContact CZ-CB 3.93Å; L1419-A1425 HydrophobicContact CD1-CB 3.83Å |
| 1426 | C | 84.2 | Confident | 84.3 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 31% | 0.311 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126.2 | 170.2 | -59.3 | 0 | 0 | 0 | 0 | 109.2 | F1367 P1391 | F1367-C1426 HydrophobicContact CE2-CB 4.06Å; F1367-C1426 HydrophobicContact CZ-CB 3.92Å; P1391-C1426 HydrophobicContact CB-CB 3.84Å; P1391-C1426 HydrophobicContact CG-CB 4.06Å |
| 1427 | Y | 86.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 160.3 | -171 | -176.1 | -113.8 | 0 | 0 | 0 | 112.2 | Y1357 I1393 L1395 F1405 Q1407 D1430 L1438 | Y1357-Y1427 HydrophobicContact CD1-CD2 4.21Å; Y1357-Y1427 HydrophobicContact CD1-CE2 4.19Å; Y1357-Y1427 AromaticContact CE1-CD2 3.83Å; Y1357-Y1427 HydrophobicContact CE1-CD2 3.83Å; Y1357-Y1427 AromaticContact CE1-CE2 3.99Å; Y1357-Y1427 HydrophobicContact CE1-CE2 3.99Å; I1393-Y1427 HydrophobicContact CB-CD1 4.25Å; I1393-Y1427 WeakPolarHBondContact CB-O 3.44Å; I1393-Y1427 HydrophobicContact CD1-CD1 3.83Å; I1393-Y1427 HydrophobicContact CD1-CE1 4.24Å; I1393-Y1427 HydrophobicContact CG2-CD1 4.32Å; I1393-Y1427 PolarHBondContact N-O 2.82Å; I1393-Y1427 PolarHBondContact O-N 3.01Å; I1393-Y1427 VanDerWaalsContact O-O 3.11Å; L1395-Y1427 HydrophobicContact CD1-CD1 4.3Å; L1395-Y1427 HydrophobicContact CD1-CG 4.22Å; F1405-Y1427 HydrophobicContact CD2-CD2 4.22Å; F1405-Y1427 HydrophobicContact CD2-CE2 4.32Å; F1405-Y1427 HydrophobicContact CD2-CG 4.36Å; F1405-Y1427 AromaticContact CE2-CD2 3.65Å; F1405-Y1427 HydrophobicContact CE2-CD2 3.65Å; F1405-Y1427 HydrophobicContact CE2-CE2 4.07Å; F1405-Y1427 AromaticContact CE2-CG 3.97Å; F1405-Y1427 HydrophobicContact CE2-CG 3.97Å; Q1407-Y1427 PolarHBondContact N-OH 3.01Å; Y1427-D1430 PolarHBondContact OH-OD2 2.81Å; Y1427-L1438 HydrophobicContact CD1-CD1 4.27Å; Y1427-L1438 HydrophobicContact CE1-CD1 3.71Å |
| 1428 | N | 85.1 | Confident | 84.6 | Confident | 13 Ų | 13 | 58.1 Ų | 58.1 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | trans | -152.5 | 163.5 | 170.1 | -173.9 | 22.7 | 0 | 0 | 0 | 109 | T1355 F1367 P1392 D1430 | T1355-N1428 VanDerWaalsContact C-ND2 3.35Å; T1355-N1428 PolarHBondContact O-ND2 2.96Å; T1355-N1428 PolarHBondContact OG1-ND2 2.96Å; F1367-N1428 HydrophobicContact CE1-CB 4.16Å; P1392-N1428 HydrophobicContact CB-CB 4.37Å; P1392-N1428 HydrophobicContact CG-CB 3.98Å; N1428-D1430 PolarHBondContact O-N 3.2Å | ||
| 1429 | W | 87 | Confident | 84.8 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 13% | 0.125 | 26% | 0.261 | C | S | . | . | trans | -60.4 | 121.6 | -178 | -61.1 | 113.4 | 0 | 0 | 0 | 111.6 | I1393 Q1407 S1431 K1436 Q1437 L1438 L1452 | I1393-W1429 HydrophobicContact CD1-CD2 4.19Å; I1393-W1429 HydrophobicContact CD1-CH2 4.46Å; I1393-W1429 HydrophobicContact CD1-CZ2 4.06Å; Q1407-W1429 HydrophobicContact CB-CE3 3.96Å; Q1407-W1429 HydrophobicContact CB-CZ3 4.29Å; Q1407-W1429 HydrophobicContact CG-CE3 3.62Å; Q1407-W1429 HydrophobicContact CG-CZ3 3.99Å; W1429-S1431 VanDerWaalsContact C-N 3.31Å; W1429-S1431 PolarHBondContact O-N 2.62Å; W1429-K1436 HydrophobicContact CD2-CB 4.19Å; W1429-K1436 HydrophobicContact CD2-CG 4.25Å; W1429-K1436 HydrophobicContact CG-CG 4.29Å; W1429-K1436 HydrophobicContact CH2-CB 4.25Å; W1429-K1436 VanDerWaalsContact CH2-O 3.29Å; W1429-K1436 WeakPolarHBondContact CH2-O 3.29Å; W1429-K1436 VanDerWaalsContact CZ2-C 3.5Å; W1429-K1436 HydrophobicContact CZ2-CB 3.6Å; W1429-K1436 HydrophobicContact CZ2-CG 4.42Å; W1429-K1436 WeakPolarHBondContact CZ2-O 3.18Å; W1429-Q1437 VanDerWaalsContact CZ3-C 3.45Å; W1429-Q1437 WeakPolarHBondContact CZ3-O 3.24Å; W1429-L1438 HydrophobicContact CH2-CB 4.08Å; W1429-L1438 HydrophobicContact CZ3-CB 4.2Å; W1429-L1452 HydrophobicContact CH2-CD1 3.81Å; W1429-L1452 HydrophobicContact CH2-CG 4.16Å; W1429-L1452 HydrophobicContact CZ2-CB 4.37Å; W1429-L1452 HydrophobicContact CZ2-CD1 3.48Å; W1429-L1452 VanDerWaalsContact CZ2-CD1 3.48Å; W1429-L1452 HydrophobicContact CZ2-CG 4Å | ||
| 1430 | D | 84.7 | Confident | 84.9 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -59.9 | -41.5 | 178.5 | -58.1 | -63.4 | 0 | 0 | 0 | 111.2 | E1344 R1359 L1415 Y1427 N1428 | E1344-D1430 WeakPolarHBondContact CB-O 3.34Å; R1359-D1430 IonicContact CZ-OD1 2.73Å; R1359-D1430 IonicContact NE-OD1 2.68Å; R1359-D1430 PolarHBondContact NE-OD1 3.17Å; R1359-D1430 IonicContact NH2-OD1 2.99Å; R1359-D1430 PolarHBondContact NH2-OD1 3.09Å; R1359-D1430 IonicContact NH2-OD2 2.78Å; L1415-D1430 HydrophobicContact CD2-CB 4.3Å; Y1427-D1430 PolarHBondContact OH-OD2 2.81Å; N1428-D1430 PolarHBondContact O-N 3.2Å |
| 1431 | S | 84.7 | Confident | 84.9 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | trans | -117.7 | 110.9 | 177 | 165.7 | 0 | 0 | 0 | 0 | 111.7 | Q1407 W1429 L1433 R1434 | Q1407-S1431 PolarHBondContact NE2-O 2.65Å; Q1407-S1431 PolarHBondContact OE1-O 2.71Å; W1429-S1431 VanDerWaalsContact C-N 3.31Å; W1429-S1431 PolarHBondContact O-N 2.62Å; S1431-L1433 VanDerWaalsContact C-N 3.35Å; S1431-L1433 PolarHBondContact O-N 2.79Å; S1431-R1434 PolarHBondContact O-N 2.71Å; S1431-R1434 WeakPolarHBondContact OG-CB 3.26Å; S1431-R1434 WeakPolarHBondContact OG-CD 3.03Å; S1431-R1434 WeakPolarHBondContact OG-CG 3.43Å; S1431-R1434 PolarHBondContact OG-N 3.33Å | ||
| 1432 | W | 76.9 | Confident | 84.7 | Confident | 74 Ų | 74 | 49 Ų | 49 | 28% | 0.28 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -32 | 179.4 | -173 | 85.8 | 0 | 0 | 0 | 114.1 | T1352 F1354 | T1352-W1432 HydrophobicContact CG2-CH2 4.38Å; T1352-W1432 HydrophobicContact CG2-CZ2 4.33Å; F1354-W1432 HydrophobicContact CD1-CZ2 4.47Å; F1354-W1432 AromaticContact CD2-CD1 3.99Å; F1354-W1432 HydrophobicContact CD2-CG 4.35Å; F1354-W1432 AromaticContact CG-CD1 3.85Å; F1354-W1432 HydrophobicContact CG-CG 4.43Å; F1354-W1432 AromaticContact CG-NE1 3.76Å |
| 1433 | L | 79.5 | Confident | 84.1 | Confident | 68 Ų | 68 | 46.8 Ų | 46.8 | 36% | 0.356 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -17.9 | -177.9 | -71.2 | 173.6 | 0 | 0 | 0 | 114.2 | L1331 E1345 L1347 S1431 | L1331-L1433 HydrophobicContact CD2-CD1 3.58Å; E1345-L1433 HydrophobicContact CG-CD1 4.25Å; E1345-L1433 WeakPolarHBondContact O-CD1 3.49Å; L1347-L1433 HydrophobicContact CD1-CD2 4.01Å; L1347-L1433 HydrophobicContact CG-CD2 4.19Å; S1431-L1433 VanDerWaalsContact C-N 3.35Å; S1431-L1433 PolarHBondContact O-N 2.79Å |
| 1434 | R | 83.3 | Confident | 83.2 | Confident | 109 Ų | 109 | 47 Ų | 47 | 41% | 0.411 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -91.4 | 173.1 | -174.4 | -73.3 | -179.7 | -170.6 | -172.1 | 5.3 | 112 | E1344 G1409 S1431 K1436 | E1344-R1434 IonicContact OE2-CZ 3Å; E1344-R1434 IonicContact OE2-NE 2.59Å; E1344-R1434 IonicContact OE2-NH2 2.67Å; E1344-R1434 PolarHBondContact OE2-NH2 3.36Å; G1409-R1434 PolarHBondContact O-NH1 3.2Å; S1431-R1434 PolarHBondContact O-N 2.71Å; S1431-R1434 WeakPolarHBondContact OG-CB 3.26Å; S1431-R1434 WeakPolarHBondContact OG-CD 3.03Å; S1431-R1434 WeakPolarHBondContact OG-CG 3.43Å; S1431-R1434 PolarHBondContact OG-N 3.33Å; R1434-K1436 PolarHBondContact O-N 3.24Å |
| 1435 | E | 79.2 | Confident | 82.4 | Confident | 123 Ų | 123 | 46 Ų | 46 | 58% | 0.575 | 22% | 0.219 | S | C | * | . | trans | -59.7 | 134.7 | 176.4 | -64.2 | -174.8 | 173.5 | 0 | 0 | 111.6 | Q1407 Q1437 | Q1407-E1435 PolarHBondContact NE2-O 3.19Å; E1435-Q1437 VanDerWaalsContact C-N 3.26Å; E1435-Q1437 PolarHBondContact O-N 3.15Å | ||
| 1436 | K | 83 | Confident | 81.9 | Confident | 105 Ų | 105 | 47.4 Ų | 47.4 | 46% | 0.457 | 23% | 0.225 | S | C | . | . | trans | -84.9 | 61.5 | -178.2 | -66 | -177.5 | -179 | -177.6 | 0 | 111.5 | W1429 R1434 | W1429-K1436 HydrophobicContact CD2-CB 4.19Å; W1429-K1436 HydrophobicContact CD2-CG 4.25Å; W1429-K1436 HydrophobicContact CG-CG 4.29Å; W1429-K1436 HydrophobicContact CH2-CB 4.25Å; W1429-K1436 VanDerWaalsContact CH2-O 3.29Å; W1429-K1436 WeakPolarHBondContact CH2-O 3.29Å; W1429-K1436 VanDerWaalsContact CZ2-C 3.5Å; W1429-K1436 HydrophobicContact CZ2-CB 3.6Å; W1429-K1436 HydrophobicContact CZ2-CG 4.42Å; W1429-K1436 WeakPolarHBondContact CZ2-O 3.18Å; R1434-K1436 PolarHBondContact O-N 3.24Å | ||
| 1437 | Q | 86.8 | Confident | 81.9 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131.7 | 178.1 | -67 | -173.7 | -4.3 | 0 | 0 | 110.8 | K1408 W1429 E1435 F1450 T1451 | K1408-Q1437 HydrophobicContact CB-CB 3.86Å; K1408-Q1437 HydrophobicContact CD-CB 4.04Å; K1408-Q1437 PolarHBondContact N-O 3.02Å; W1429-Q1437 VanDerWaalsContact CZ3-C 3.45Å; W1429-Q1437 WeakPolarHBondContact CZ3-O 3.24Å; E1435-Q1437 VanDerWaalsContact C-N 3.26Å; E1435-Q1437 PolarHBondContact O-N 3.15Å; Q1437-F1450 CarbonylContact C-O 3.57Å; Q1437-F1450 WeakPolarHBondContact CA-O 3.43Å; Q1437-T1451 HydrophobicContact CG-CG2 4.45Å; Q1437-T1451 WeakPolarHBondContact CG-OG1 3.29Å; Q1437-T1451 PolarHBondContact NE2-OG1 2.57Å |
| 1438 | L | 88.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.4 | 178.6 | -172.4 | 70.4 | 0 | 0 | 0 | 109.4 | L1395 Y1427 W1429 L1440 C1449 F1450 V1662 | L1395-L1438 HydrophobicContact CD2-CD2 3.62Å; Y1427-L1438 HydrophobicContact CD1-CD1 4.27Å; Y1427-L1438 HydrophobicContact CE1-CD1 3.71Å; W1429-L1438 HydrophobicContact CH2-CB 4.08Å; W1429-L1438 HydrophobicContact CZ3-CB 4.2Å; L1438-L1440 HydrophobicContact CD2-CD2 4.07Å; L1438-L1440 HydrophobicContact CG-CD2 4.38Å; L1438-C1449 WeakPolarHBondContact O-CA 3.37Å; L1438-F1450 HydrophobicContact CB-CZ 4.4Å; L1438-F1450 HydrophobicContact CD2-CZ 3.95Å; L1438-F1450 PolarHBondContact N-O 2.75Å; L1438-F1450 PolarHBondContact O-N 2.84Å; L1438-V1662 HydrophobicContact CD2-CG2 4.49Å |
| 1439 | V | 88.7 | Confident | 81.7 | Confident | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 128.9 | 172.5 | -172.4 | 0 | 0 | 0 | 0 | 108.5 | F1405 Y1406 K1408 L1448 C1449 | F1405-V1439 VanDerWaalsContact CA-O 3.27Å; F1405-V1439 WeakPolarHBondContact CA-O 3.27Å; Y1406-V1439 HydrophobicContact CD1-CB 4.3Å; Y1406-V1439 HydrophobicContact CD2-CB 4.21Å; Y1406-V1439 HydrophobicContact CD2-CG2 4.41Å; Y1406-V1439 HydrophobicContact CE1-CB 3.96Å; Y1406-V1439 HydrophobicContact CE1-CG1 3.82Å; Y1406-V1439 HydrophobicContact CE2-CB 3.85Å; Y1406-V1439 HydrophobicContact CE2-CG1 4.15Å; Y1406-V1439 HydrophobicContact CE2-CG2 3.97Å; Y1406-V1439 HydrophobicContact CG-CB 4.41Å; Y1406-V1439 PolarHBondContact N-O 3.08Å; Y1406-V1439 VanDerWaalsContact N-O 3.11Å; Y1406-V1439 PolarHBondContact O-N 2.84Å; Y1406-V1439 WeakPolarHBondContact OH-CG1 2.85Å; K1408-V1439 HydrophobicContact CB-CG2 3.92Å; K1408-V1439 HydrophobicContact CG-CG2 4.33Å; V1439-L1448 CarbonylContact C-O 3.52Å; V1439-L1448 WeakPolarHBondContact CA-O 3.36Å; V1439-C1449 HydrophobicContact CG2-CB 4.17Å |
| 1440 | L | 88.9 | Confident | 81.4 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 121.5 | 170.2 | -61.3 | 179.4 | 0 | 0 | 0 | 108.2 | L1395 V1403 T1404 F1405 L1438 S1447 L1448 F1450 F1461 V1651 I1664 | L1395-L1440 HydrophobicContact CD2-CD2 4.36Å; V1403-L1440 HydrophobicContact CG1-CB 3.86Å; V1403-L1440 HydrophobicContact CG1-CD2 3.96Å; V1403-L1440 HydrophobicContact CG1-CG 4.34Å; T1404-L1440 CarbonylContact O-C 3.14Å; T1404-L1440 VanDerWaalsContact O-CA 3.29Å; T1404-L1440 WeakPolarHBondContact O-CA 3.24Å; F1405-L1440 HydrophobicContact CB-CD2 3.61Å; L1438-L1440 HydrophobicContact CD2-CD2 4.07Å; L1438-L1440 HydrophobicContact CG-CD2 4.38Å; L1440-S1447 CarbonylContact O-C 3.57Å; L1440-S1447 VanDerWaalsContact O-CA 3.24Å; L1440-S1447 WeakPolarHBondContact O-CA 3.49Å; L1440-L1448 PolarHBondContact N-O 2.98Å; L1440-L1448 PolarHBondContact O-N 2.88Å; L1440-F1450 HydrophobicContact CD1-CE1 3.6Å; L1440-F1450 HydrophobicContact CD1-CZ 3.95Å; L1440-F1450 HydrophobicContact CG-CE1 3.82Å; L1440-F1450 HydrophobicContact CG-CZ 4.35Å; L1440-F1461 WeakPolarHBondContact O-CZ 3.4Å; L1440-V1651 HydrophobicContact CD1-CG1 3.97Å; L1440-V1651 HydrophobicContact CD1-CG2 3.9Å; L1440-I1664 HydrophobicContact CD1-CD1 3.93Å; L1440-I1664 HydrophobicContact CD1-CG1 4.23Å; L1440-I1664 HydrophobicContact CD2-CD1 4.5Å |
| 1441 | S | 86.8 | Confident | 81.1 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.028 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 149.4 | 170.6 | 52.8 | 0 | 0 | 0 | 0 | 111.9 | V1403 T1404 D1444 V1446 | V1403-S1441 WeakPolarHBondContact CA-O 3.35Å; T1404-S1441 WeakPolarHBondContact CB-OG 3.26Å; T1404-S1441 PolarHBondContact N-O 3.03Å; T1404-S1441 PolarHBondContact O-N 2.69Å; T1404-S1441 WeakPolarHBondContact OG1-CB 3.48Å; T1404-S1441 PolarHBondContact OG1-O 2.95Å; T1404-S1441 PolarHBondContact OG1-OG 2.96Å; S1441-D1444 PolarHBondContact OG-OD1 2.92Å; S1441-V1446 CarbonylContact C-O 3.56Å; S1441-V1446 WeakPolarHBondContact CA-O 3.37Å; S1441-V1446 WeakPolarHBondContact CB-O 3.48Å |
| 1442 | V | 81.6 | Confident | 80.3 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 122.9 | 175.3 | 159.1 | 0 | 0 | 0 | 0 | 107.5 | V1401 V1403 D1444 E1445 V1446 F1461 Y1463 L1649 | V1401-V1442 HydrophobicContact CG1-CB 4.43Å; V1401-V1442 HydrophobicContact CG1-CG1 3.54Å; V1401-V1442 HydrophobicContact CG1-CG2 4.04Å; V1403-V1442 HydrophobicContact CG2-CG2 3.92Å; V1442-D1444 PolarHBondContact O-N 2.89Å; V1442-E1445 PolarHBondContact O-N 2.7Å; V1442-V1446 PolarHBondContact N-O 2.97Å; V1442-F1461 HydrophobicContact CB-CE1 3.88Å; V1442-F1461 HydrophobicContact CB-CZ 4.16Å; V1442-F1461 HydrophobicContact CG2-CD1 4.25Å; V1442-F1461 HydrophobicContact CG2-CE1 3.45Å; V1442-F1461 VanDerWaalsContact CG2-CE1 3.45Å; V1442-F1461 HydrophobicContact CG2-CZ 4.21Å; V1442-Y1463 HydrophobicContact CG1-CD1 4.33Å; V1442-Y1463 HydrophobicContact CG1-CD2 4.21Å; V1442-Y1463 HydrophobicContact CG1-CG 3.94Å; V1442-L1649 HydrophobicContact CG2-CD1 3.8Å |
| 1443 | F | 72.3 | Confident | 79.7 | Confident | 72 Ų | 72 | 53.4 Ų | 53.4 | 32% | 0.316 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 21.8 | -173.8 | -51.3 | -64.9 | 0 | 0 | 0 | 114.8 | V1401 P1402 E1445 Y1463 R1643 | V1401-F1443 HydrophobicContact CG1-CE1 4.45Å; V1401-F1443 HydrophobicContact CG1-CE2 3.77Å; V1401-F1443 HydrophobicContact CG1-CZ 3.69Å; P1402-F1443 HydrophobicContact CG-CE1 4.26Å; F1443-E1445 PolarHBondContact O-N 2.75Å; F1443-Y1463 HydrophobicContact CD2-CD2 4.5Å; F1443-Y1463 HydrophobicContact CE2-CD2 4.11Å; F1443-Y1463 HydrophobicContact CE2-CE2 4.12Å; F1443-R1643 HydrophobicContact CE2-CB 4.42Å; F1443-R1643 HydrophobicContact CE2-CG 4.44Å; F1443-R1643 HydrophobicContact CZ-CB 4.42Å |
| 1444 | D | 66.8 | Low | 78.5 | Confident | 112 Ų | 112 | 53.7 Ų | 53.7 | 60% | 0.599 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 8.4 | -173.4 | -68.3 | -39 | 0 | 0 | 0 | 116.6 | S1441 V1442 | S1441-D1444 PolarHBondContact OG-OD1 2.92Å; V1442-D1444 PolarHBondContact O-N 2.89Å |
| 1445 | E | 70.9 | Confident | 77.2 | Confident | 120 Ų | 120 | 55.3 Ų | 55.3 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -37.8 | 178.5 | -72 | 176.6 | -179.7 | 0 | 0 | 112.4 | V1442 F1443 R1643 | V1442-E1445 PolarHBondContact O-N 2.7Å; F1443-E1445 PolarHBondContact O-N 2.75Å; E1445-R1643 IonicContact OE1-CZ 2.81Å; E1445-R1643 IonicContact OE1-NH1 3.86Å; E1445-R1643 IonicContact OE1-NH2 2.84Å; E1445-R1643 PolarHBondContact OE1-NH2 3.03Å; E1445-R1643 IonicContact OE2-CZ 2.79Å; E1445-R1643 IonicContact OE2-NH1 2.65Å; E1445-R1643 PolarHBondContact OE2-NH1 3.08Å; E1445-R1643 IonicContact OE2-NH2 3.13Å; E1445-R1643 PolarHBondContact OE2-NH2 3.2Å |
| 1446 | V | 74.4 | Confident | 76.2 | Confident | 50 Ų | 50 | 55 Ų | 55 | 30% | 0.303 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 136.5 | -177.6 | -163.1 | 0 | 0 | 0 | 0 | 108.6 | S1441 V1442 F1461 | S1441-V1446 CarbonylContact C-O 3.56Å; S1441-V1446 WeakPolarHBondContact CA-O 3.37Å; S1441-V1446 WeakPolarHBondContact CB-O 3.48Å; V1442-V1446 PolarHBondContact N-O 2.97Å; V1446-F1461 HydrophobicContact CB-CE2 4.1Å; V1446-F1461 HydrophobicContact CB-CZ 4.34Å; V1446-F1461 HydrophobicContact CG1-CD2 4.43Å; V1446-F1461 HydrophobicContact CG1-CE2 3.66Å; V1446-F1461 HydrophobicContact CG1-CZ 4.38Å; V1446-F1461 WeakPolarHBondContact O-CZ 3.48Å |
| 1447 | S | 83.1 | Confident | 75.3 | Confident | 72 Ų | 72 | 50.8 Ų | 50.8 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 132.9 | 177.3 | 65 | 0 | 0 | 0 | 0 | 111.6 | L1440 | L1440-S1447 CarbonylContact O-C 3.57Å; L1440-S1447 VanDerWaalsContact O-CA 3.24Å; L1440-S1447 WeakPolarHBondContact O-CA 3.49Å |
| 1448 | L | 83.8 | Confident | 74.5 | Confident | 31 Ų | 31 | 54.2 Ų | 54.2 | 16% | 0.162 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 126 | 168.1 | 179 | 74.8 | 0 | 0 | 0 | 109.2 | V1439 L1440 F1450 H1459 F1461 V1651 | V1439-L1448 CarbonylContact C-O 3.52Å; V1439-L1448 WeakPolarHBondContact CA-O 3.36Å; L1440-L1448 PolarHBondContact N-O 2.98Å; L1440-L1448 PolarHBondContact O-N 2.88Å; L1448-F1450 HydrophobicContact CD2-CD1 3.8Å; L1448-F1450 HydrophobicContact CD2-CE1 4.03Å; L1448-F1450 HydrophobicContact CG-CD1 3.96Å; L1448-H1459 HydrophobicContact CD1-CB 4.31Å; L1448-H1459 HydrophobicContact CD2-CB 3.73Å; L1448-F1461 HydrophobicContact CB-CD2 3.56Å; L1448-F1461 HydrophobicContact CB-CE2 3.69Å; L1448-F1461 HydrophobicContact CB-CG 4Å; L1448-F1461 HydrophobicContact CB-CZ 4.24Å; L1448-F1461 HydrophobicContact CD2-CB 4.24Å; L1448-F1461 HydrophobicContact CD2-CG 4.48Å; L1448-V1651 HydrophobicContact CD2-CB 4.25Å; L1448-V1651 HydrophobicContact CD2-CG2 3.82Å |
| 1449 | C | 84.9 | Confident | 74 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 37% | 0.365 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127 | 174.9 | 179.7 | 0 | 0 | 0 | 0 | 110 | L1438 V1439 | L1438-C1449 WeakPolarHBondContact O-CA 3.37Å; V1439-C1449 HydrophobicContact CG2-CB 4.17Å |
| 1450 | F | 81.2 | Confident | 73.2 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 4% | 0.039 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 164 | -179.6 | 62 | -81.9 | 0 | 0 | 0 | 112.8 | Q1437 L1438 L1440 L1448 L1452 H1459 V1651 V1653 V1662 | Q1437-F1450 CarbonylContact C-O 3.57Å; Q1437-F1450 WeakPolarHBondContact CA-O 3.43Å; L1438-F1450 HydrophobicContact CB-CZ 4.4Å; L1438-F1450 HydrophobicContact CD2-CZ 3.95Å; L1438-F1450 PolarHBondContact N-O 2.75Å; L1438-F1450 PolarHBondContact O-N 2.84Å; L1440-F1450 HydrophobicContact CD1-CE1 3.6Å; L1440-F1450 HydrophobicContact CD1-CZ 3.95Å; L1440-F1450 HydrophobicContact CG-CE1 3.82Å; L1440-F1450 HydrophobicContact CG-CZ 4.35Å; L1448-F1450 HydrophobicContact CD2-CD1 3.8Å; L1448-F1450 HydrophobicContact CD2-CE1 4.03Å; L1448-F1450 HydrophobicContact CG-CD1 3.96Å; F1450-L1452 HydrophobicContact CD2-CD2 4.34Å; F1450-L1452 HydrophobicContact CE2-CD2 3.73Å; F1450-H1459 WeakPolarHBondContact CB-CD2 3.35Å; F1450-H1459 WeakPolarHBondContact CB-NE2 3.32Å; F1450-H1459 AromaticContact CD2-CD2 3.88Å; F1450-H1459 AromaticContact CG-CD2 3.54Å; F1450-H1459 AromaticContact CG-NE2 3.95Å; F1450-V1651 HydrophobicContact CE1-CG1 4.12Å; F1450-V1651 HydrophobicContact CE2-CG1 4.41Å; F1450-V1651 HydrophobicContact CZ-CG1 3.78Å; F1450-V1653 HydrophobicContact CD2-CG2 4.04Å; F1450-V1653 HydrophobicContact CE2-CG2 3.55Å; F1450-V1653 HydrophobicContact CZ-CG2 4.48Å; F1450-V1662 HydrophobicContact CE2-CG1 4.42Å; F1450-V1662 HydrophobicContact CE2-CG2 4.47Å; F1450-V1662 HydrophobicContact CZ-CG1 3.9Å |
| 1451 | T | 78.1 | Confident | 72.5 | Confident | 44 Ų | 44 | 61.7 Ų | 61.7 | 27% | 0.27 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135.8 | -179.4 | -46.9 | 0 | 0 | 0 | 0 | 109.8 | Q1437 T1453 | Q1437-T1451 HydrophobicContact CG-CG2 4.45Å; Q1437-T1451 WeakPolarHBondContact CG-OG1 3.29Å; Q1437-T1451 PolarHBondContact NE2-OG1 2.57Å; T1451-T1453 HydrophobicContact CG2-CG2 3.83Å; T1451-T1453 VanDerWaalsContact CG2-OG1 3.24Å; T1451-T1453 WeakPolarHBondContact CG2-OG1 3.49Å; T1451-T1453 PolarHBondContact O-N 2.77Å |
| 1452 | L | 68.5 | Low | 71.6 | Confident | 10 Ų | 10 | 66.8 Ų | 66.8 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 1.9 | -179.8 | -63.5 | 177.2 | 0 | 0 | 0 | 114.6 | I1393 W1429 F1450 V1653 R1660 V1662 | I1393-L1452 HydrophobicContact CD1-CD1 3.5Å; I1393-L1452 VanDerWaalsContact CD1-CD1 3.5Å; I1393-L1452 HydrophobicContact CG1-CD1 3.77Å; I1393-L1452 HydrophobicContact CG2-CD1 4.24Å; W1429-L1452 HydrophobicContact CH2-CD1 3.81Å; W1429-L1452 HydrophobicContact CH2-CG 4.16Å; W1429-L1452 HydrophobicContact CZ2-CB 4.37Å; W1429-L1452 HydrophobicContact CZ2-CD1 3.48Å; W1429-L1452 VanDerWaalsContact CZ2-CD1 3.48Å; W1429-L1452 HydrophobicContact CZ2-CG 4Å; F1450-L1452 HydrophobicContact CD2-CD2 4.34Å; F1450-L1452 HydrophobicContact CE2-CD2 3.73Å; L1452-V1653 HydrophobicContact CD2-CG1 3.77Å; L1452-V1653 HydrophobicContact CD2-CG2 4.18Å; L1452-R1660 HydrophobicContact CD1-CB 4.37Å; L1452-V1662 HydrophobicContact CD2-CG2 3.53Å |
| 1453 | T | 63.2 | Low | 71.1 | Confident | 87 Ų | 87 | 67 Ų | 67 | 53% | 0.534 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -17.9 | -172.5 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | T1451 | T1451-T1453 HydrophobicContact CG2-CG2 3.83Å; T1451-T1453 VanDerWaalsContact CG2-OG1 3.24Å; T1451-T1453 WeakPolarHBondContact CG2-OG1 3.49Å; T1451-T1453 PolarHBondContact O-N 2.77Å |
| 1454 | T | 55.1 | Low | 70.7 | Confident | 75 Ų | 75 | 71.6 Ų | 71.6 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -91.6 | 110.4 | 178.6 | 45.6 | 0 | 0 | 0 | 0 | 110.1 | N1456 C1457 | T1454-N1456 PolarHBondContact O-N 2.79Å; T1454-C1457 PolarHBondContact OG1-SG 2.77Å |
| 1455 | E | 56.3 | Low | 70.7 | Confident | 143 Ų | 143 | 67.7 Ų | 67.7 | 67% | 0.668 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 134.5 | 174.4 | -69.4 | -174.8 | 168.9 | 0 | 0 | 111.1 | C1457 | E1455-C1457 PolarHBondContact O-N 2.84Š|
| 1456 | N | 56.9 | Low | 70.7 | Confident | 116 Ų | 116 | 64.7 Ų | 64.7 | 62% | 0.62 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 42.4 | 175.1 | -60.2 | -28.4 | 0 | 0 | 0 | 114.4 | T1454 V1653 | T1454-N1456 PolarHBondContact O-N 2.79Å; N1456-V1653 VanDerWaalsContact CA-O 3.27Å; N1456-V1653 WeakPolarHBondContact CA-O 3.05Å; N1456-V1653 PolarHBondContact N-O 3.44Å |
| 1457 | C | 64.8 | Low | 70.3 | Confident | 17 Ų | 17 | 62.4 Ų | 62.4 | 12% | 0.115 | 33% | 0.325 | C | S | . | . | trans | -81.8 | 143.2 | 168.4 | 62 | 0 | 0 | 0 | 0 | 111.4 | T1454 E1455 V1653 | T1454-C1457 PolarHBondContact OG1-SG 2.77Å; E1455-C1457 PolarHBondContact O-N 2.84Å; C1457-V1653 PolarHBondContact O-N 2.91Å | ||
| 1458 | M | 70.7 | Confident | 69.3 | Low | 114 Ų | 114 | 61 Ų | 61 | 56% | 0.562 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 133.9 | 168.7 | -65.7 | -167.8 | 179.4 | 0 | 0 | 108.5 | V1651 V1652 | M1458-V1651 CarbonylContact C-O 3.56Å; M1458-V1651 WeakPolarHBondContact CA-O 2.95Å; M1458-V1652 HydrophobicContact CE-CG1 4.34Å; M1458-V1652 HydrophobicContact CE-CG2 4.23Å; M1458-V1652 HydrophobicContact CG-CG1 4.41Å; M1458-V1652 HydrophobicContact CG-CG2 4.13Å; M1458-V1652 HydrophobicContact SD-CG2 4.43Å |
| 1459 | H | 76.7 | Confident | 68.3 | Low | 54 Ų | 54 | 60.1 Ų | 60.1 | 25% | 0.25 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 123.3 | 175.9 | -61.9 | -34 | 0 | 0 | 0 | 109.3 | L1448 F1450 V1651 | L1448-H1459 HydrophobicContact CD1-CB 4.31Å; L1448-H1459 HydrophobicContact CD2-CB 3.73Å; F1450-H1459 WeakPolarHBondContact CB-CD2 3.35Å; F1450-H1459 WeakPolarHBondContact CB-NE2 3.32Å; F1450-H1459 AromaticContact CD2-CD2 3.88Å; F1450-H1459 AromaticContact CG-CD2 3.54Å; F1450-H1459 AromaticContact CG-NE2 3.95Å; H1459-V1651 HydrophobicContact CB-CB 4.4Å; H1459-V1651 PolarHBondContact N-O 3.01Å; H1459-V1651 PolarHBondContact O-N 2.8Å |
| 1460 | D | 72.6 | Confident | 67.1 | Low | 104 Ų | 104 | 59.3 Ų | 59.3 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 130.5 | 174.5 | -58.4 | -27.8 | 0 | 0 | 0 | 108.5 | Q1650 | D1460-Q1650 PolarHBondContact OD1-NE2 2.94Å; D1460-Q1650 VanDerWaalsContact OD1-NE2 3.15Å |
| 1461 | F | 73 | Confident | 66 | Low | 7 Ų | 7 | 61.7 Ų | 61.7 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 98.3 | -174.5 | -176.3 | -142.7 | 0 | 0 | 0 | 109.8 | L1440 V1442 V1446 L1448 L1649 | L1440-F1461 WeakPolarHBondContact O-CZ 3.4Å; V1442-F1461 HydrophobicContact CB-CE1 3.88Å; V1442-F1461 HydrophobicContact CB-CZ 4.16Å; V1442-F1461 HydrophobicContact CG2-CD1 4.25Å; V1442-F1461 HydrophobicContact CG2-CE1 3.45Å; V1442-F1461 VanDerWaalsContact CG2-CE1 3.45Å; V1442-F1461 HydrophobicContact CG2-CZ 4.21Å; V1446-F1461 HydrophobicContact CB-CE2 4.1Å; V1446-F1461 HydrophobicContact CB-CZ 4.34Å; V1446-F1461 HydrophobicContact CG1-CD2 4.43Å; V1446-F1461 HydrophobicContact CG1-CE2 3.66Å; V1446-F1461 HydrophobicContact CG1-CZ 4.38Å; V1446-F1461 WeakPolarHBondContact O-CZ 3.48Å; L1448-F1461 HydrophobicContact CB-CD2 3.56Å; L1448-F1461 HydrophobicContact CB-CE2 3.69Å; L1448-F1461 HydrophobicContact CB-CG 4Å; L1448-F1461 HydrophobicContact CB-CZ 4.24Å; L1448-F1461 HydrophobicContact CD2-CB 4.24Å; L1448-F1461 HydrophobicContact CD2-CG 4.48Å; F1461-L1649 HydrophobicContact CB-CB 4.18Å; F1461-L1649 HydrophobicContact CD1-CB 4.29Å; F1461-L1649 HydrophobicContact CD1-CD1 4.03Å; F1461-L1649 PolarHBondContact N-O 2.79Å; F1461-L1649 PolarHBondContact O-N 3.43Å |
| 1462 | L | 68.4 | Low | 64.8 | Low | 111 Ų | 111 | 61 Ų | 61 | 58% | 0.581 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.2 | -176.1 | -163.6 | 80.3 | 0 | 0 | 0 | 110.4 | T1648 | L1462-T1648 HydrophobicContact CD1-CG2 4.26Å; L1462-T1648 WeakPolarHBondContact CD1-OG1 3.43Å |
| 1463 | Y | 72.2 | Confident | 64.1 | Low | 6 Ų | 6 | 61.3 Ų | 61.3 | 2% | 0.024 | 30% | 0.302 | C | S | . | . | trans | -120.1 | 148.4 | 168.6 | 70.4 | -81.8 | 0 | 0 | 0 | 109.6 | V1401 V1442 F1443 K1465 P1644 G1645 S1646 G1647 L1649 | V1401-Y1463 HydrophobicContact CG2-CE1 4.2Å; V1401-Y1463 HydrophobicContact CG2-CE2 4.41Å; V1401-Y1463 WeakPolarHBondContact CG2-OH 3.3Å; V1442-Y1463 HydrophobicContact CG1-CD1 4.33Å; V1442-Y1463 HydrophobicContact CG1-CD2 4.21Å; V1442-Y1463 HydrophobicContact CG1-CG 3.94Å; F1443-Y1463 HydrophobicContact CD2-CD2 4.5Å; F1443-Y1463 HydrophobicContact CE2-CD2 4.11Å; F1443-Y1463 HydrophobicContact CE2-CE2 4.12Å; Y1463-K1465 PolarHBondContact O-N 2.85Å; Y1463-P1644 PolarHBondContact OH-O 2.8Å; Y1463-G1645 WeakPolarHBondContact OH-CA 3.37Å; Y1463-G1645 PolarHBondContact OH-O 2.8Å; Y1463-S1646 PolarHBondContact OH-N 2.88Å; Y1463-G1647 WeakPolarHBondContact CD1-O 3.41Å; Y1463-G1647 VanDerWaalsContact CE1-C 3.47Å; Y1463-G1647 VanDerWaalsContact CZ-CA 3.42Å; Y1463-G1647 PolarHBondContact N-O 3.11Å; Y1463-G1647 PolarHBondContact OH-N 2.99Å; Y1463-L1649 HydrophobicContact CD1-CD1 4.37Å; Y1463-L1649 HydrophobicContact CD1-CG 4.19Å; Y1463-L1649 HydrophobicContact CE1-CD1 4.3Å; Y1463-L1649 HydrophobicContact CE1-CD2 4.3Å; Y1463-L1649 HydrophobicContact CE1-CG 3.9Å | ||
| 1464 | R | 64.2 | Low | 63.5 | Low | 168 Ų | 168 | 64.1 Ų | 64.1 | 63% | 0.634 | 31% | 0.307 | S | S | * | . | trans | -70.4 | 126.7 | -174.6 | -71.8 | -176.5 | -179.6 | 147.3 | 2.3 | 111 | ||||
| 1465 | K | 65 | Low | 63.1 | Low | 29 Ų | 29 | 65.2 Ų | 65.2 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | trans | -120.2 | 97.8 | 176.7 | -172.7 | 178.3 | 179.2 | -179.8 | 0 | 110.3 | Y1463 G1645 | Y1463-K1465 PolarHBondContact O-N 2.85Å; K1465-G1645 WeakPolarHBondContact CD-O 3.45Å; K1465-G1645 VanDerWaalsContact CE-O 3.25Å; K1465-G1645 WeakPolarHBondContact CE-O 3.33Å; K1465-G1645 PolarHBondContact NZ-O 2.8Å | ||
| 1466 | Q | 70.7 | Confident | 62.5 | Low | 58 Ų | 58 | 63.7 Ų | 63.7 | 27% | 0.271 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 142.4 | 174.3 | -62.4 | 176.5 | -13.5 | 0 | 0 | 110.1 | L1533 W1534 V1545 T1642 | Q1466-L1533 HydrophobicContact CB-CD2 4.2Å; Q1466-W1534 CarbonylContact C-O 3.49Å; Q1466-W1534 WeakPolarHBondContact CA-O 3.49Å; Q1466-V1545 HydrophobicContact CG-CG2 4.14Å; Q1466-T1642 WeakPolarHBondContact O-CG2 3.49Å; Q1466-T1642 PolarHBondContact O-OG1 3.39Å |
| 1467 | F | 67.2 | Low | 61.9 | Low | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 162.1 | -176.3 | 55.3 | -93 | 0 | 0 | 0 | 112.1 | I1469 W1534 A1536 L1542 F1594 Q1639 L1640 | F1467-I1469 HydrophobicContact CD2-CG1 4.07Å; F1467-I1469 HydrophobicContact CE2-CD1 4.17Å; F1467-I1469 HydrophobicContact CE2-CG1 3.82Å; F1467-W1534 WeakPolarHBondContact CD1-O 3.44Å; F1467-W1534 HydrophobicContact CD2-CB 4.01Å; F1467-W1534 HydrophobicContact CE2-CB 3.69Å; F1467-W1534 HydrophobicContact CZ-CB 4.1Å; F1467-W1534 PolarHBondContact N-O 2.77Å; F1467-W1534 PolarHBondContact O-N 3.38Å; F1467-A1536 HydrophobicContact CE1-CB 3.87Å; F1467-A1536 HydrophobicContact CZ-CB 4Å; F1467-L1542 HydrophobicContact CE2-CD2 4.31Å; F1467-L1542 HydrophobicContact CZ-CD2 3.73Å; F1467-F1594 AromaticContact CE2-CE2 3.86Å; F1467-F1594 HydrophobicContact CE2-CE2 3.86Å; F1467-F1594 AromaticContact CE2-CZ 3.92Å; F1467-F1594 HydrophobicContact CE2-CZ 3.92Å; F1467-F1594 AromaticContact CZ-CE2 4Å; F1467-F1594 HydrophobicContact CZ-CE2 4Å; F1467-Q1639 HydrophobicContact CB-CG 3.74Å; F1467-Q1639 HydrophobicContact CD1-CG 4.29Å; F1467-Q1639 HydrophobicContact CD2-CG 3.44Å; F1467-Q1639 VanDerWaalsContact CD2-CG 3.44Å; F1467-Q1639 HydrophobicContact CE2-CG 4.03Å; F1467-Q1639 HydrophobicContact CG-CG 3.57Å; F1467-L1640 WeakPolarHBondContact CA-O 3.48Å; F1467-L1640 WeakPolarHBondContact CB-O 3.5Å |
| 1468 | Y | 61.8 | Low | 60.8 | Low | 43 Ų | 43 | 62.2 Ų | 62.2 | 17% | 0.169 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 144 | 171.3 | -59.5 | -87.6 | 0 | 0 | 0 | 110 | I1491 Q1532 L1533 Q1639 L1640 T1642 | Y1468-I1491 HydrophobicContact CD1-CG2 4.42Å; Y1468-I1491 HydrophobicContact CD2-CD1 3.59Å; Y1468-I1491 HydrophobicContact CE2-CD1 3.42Å; Y1468-I1491 VanDerWaalsContact CE2-CD1 3.42Å; Y1468-I1491 HydrophobicContact CG-CD1 4.23Å; Y1468-Q1532 HydrophobicContact CD1-CB 3.93Å; Y1468-Q1532 WeakPolarHBondContact CD1-O 3.39Å; Y1468-Q1532 HydrophobicContact CE1-CB 3.99Å; Y1468-L1533 HydrophobicContact CD1-CD2 4.27Å; Y1468-L1533 HydrophobicContact CD2-CD2 4.24Å; Y1468-L1533 HydrophobicContact CE1-CD2 3.75Å; Y1468-L1533 HydrophobicContact CE1-CG 4.01Å; Y1468-L1533 HydrophobicContact CE2-CD2 3.7Å; Y1468-L1533 VanDerWaalsContact CZ-CD2 3.43Å; Y1468-Q1639 WeakPolarHBondContact O-CA 3.31Å; Y1468-L1640 PolarHBondContact N-O 3.17Å; Y1468-L1640 PolarHBondContact O-N 3.25Å; Y1468-T1642 HydrophobicContact CD2-CG2 4.39Å; Y1468-T1642 HydrophobicContact CE2-CG2 4Å |
| 1469 | I | 62.5 | Low | 59.4 | Low | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 118.4 | 173 | -58.1 | 177.7 | 0 | 0 | 0 | 107.8 | F1467 F1471 W1534 L1542 F1594 V1637 | F1467-I1469 HydrophobicContact CD2-CG1 4.07Å; F1467-I1469 HydrophobicContact CE2-CD1 4.17Å; F1467-I1469 HydrophobicContact CE2-CG1 3.82Å; I1469-F1471 HydrophobicContact CG2-CE1 4.38Å; I1469-F1471 HydrophobicContact CG2-CE2 3.77Å; I1469-F1471 HydrophobicContact CG2-CZ 3.68Å; I1469-W1534 HydrophobicContact CD1-CB 4.05Å; I1469-W1534 HydrophobicContact CD1-CD2 3.7Å; I1469-W1534 HydrophobicContact CD1-CE3 4.27Å; I1469-W1534 HydrophobicContact CD1-CG 3.56Å; I1469-W1534 HydrophobicContact CG1-CB 4.21Å; I1469-W1534 HydrophobicContact CG1-CD2 4.43Å; I1469-W1534 HydrophobicContact CG1-CG 3.84Å; I1469-L1542 HydrophobicContact CD1-CD1 4.3Å; I1469-F1594 HydrophobicContact CD1-CZ 4.17Å; I1469-F1594 HydrophobicContact CG1-CZ 4.16Å; I1469-V1637 HydrophobicContact CG2-CG1 3.7Å |
| 1470 | M | 59.6 | Low | 57.9 | Low | 38 Ų | 38 | 66.2 Ų | 66.2 | 19% | 0.187 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139 | 179.5 | -178 | 174.9 | 72.4 | 0 | 0 | 110.4 | V1482 V1637 Y1638 L1640 | M1470-V1482 HydrophobicContact CE-CG1 4.32Å; M1470-V1482 HydrophobicContact CE-CG2 4.29Å; M1470-V1482 HydrophobicContact SD-CG2 4.11Å; M1470-V1637 CarbonylContact O-C 3.53Å; M1470-V1637 WeakPolarHBondContact O-CA 3.05Å; M1470-Y1638 HydrophobicContact CE-CD2 3.68Å; M1470-Y1638 HydrophobicContact CE-CE2 4.43Å; M1470-Y1638 HydrophobicContact CE-CG 4.02Å; M1470-Y1638 PolarHBondContact N-O 2.95Å; M1470-Y1638 PolarHBondContact O-N 3.02Å; M1470-L1640 HydrophobicContact CB-CD1 4.03Å; M1470-L1640 HydrophobicContact CE-CD1 4.19Å; M1470-L1640 HydrophobicContact SD-CD1 3.82Å |
| 1471 | F | 59.6 | Low | 56.4 | Low | 58 Ų | 58 | 66 Ų | 66 | 25% | 0.254 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.2 | 177.6 | -62.9 | -82.8 | 0 | 0 | 0 | 109 | I1469 L1519 V1613 V1622 V1635 M1636 V1637 | I1469-F1471 HydrophobicContact CG2-CE1 4.38Å; I1469-F1471 HydrophobicContact CG2-CE2 3.77Å; I1469-F1471 HydrophobicContact CG2-CZ 3.68Å; F1471-L1519 HydrophobicContact CD2-CD2 4.4Å; F1471-L1519 HydrophobicContact CE2-CD2 3.3Å; F1471-L1519 HydrophobicContact CZ-CD2 3.46Å; F1471-L1519 VanDerWaalsContact CZ-CD2 3.46Å; F1471-V1613 HydrophobicContact CD1-CG1 4.39Å; F1471-V1613 HydrophobicContact CE1-CG1 4.12Å; F1471-V1622 HydrophobicContact CD1-CG1 4.43Å; F1471-V1622 HydrophobicContact CE1-CG1 4.35Å; F1471-V1635 HydrophobicContact CB-CG1 3.61Å; F1471-V1635 HydrophobicContact CD1-CG1 3.7Å; F1471-V1635 HydrophobicContact CG-CG1 4.13Å; F1471-M1636 CarbonylContact C-O 3.56Å; F1471-M1636 WeakPolarHBondContact CA-O 3.07Å; F1471-V1637 HydrophobicContact CD1-CG1 4.28Å; F1471-V1637 HydrophobicContact CD1-CG2 3.78Å; F1471-V1637 HydrophobicContact CE1-CG1 3.97Å; F1471-V1637 HydrophobicContact CE1-CG2 3.78Å |
| 1472 | E | 52.8 | Low | 55 | Low | 30 Ų | 30 | 68 Ų | 68 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 139.4 | 179 | -159.6 | -172.7 | -166.2 | 0 | 0 | 110.2 | S1478 V1635 M1636 Y1638 | E1472-S1478 WeakPolarHBondContact OE1-CB 3.13Å; E1472-V1635 CarbonylContact O-C 3.5Å; E1472-V1635 WeakPolarHBondContact O-CA 3.36Å; E1472-M1636 HydrophobicContact CB-CB 4.4Å; E1472-M1636 PolarHBondContact N-O 2.78Å; E1472-M1636 PolarHBondContact O-N 2.89Å; E1472-Y1638 HydrophobicContact CB-CD2 4.16Å; E1472-Y1638 HydrophobicContact CB-CE2 3.6Å; E1472-Y1638 HydrophobicContact CG-CE2 4.36Å; E1472-Y1638 WeakPolarHBondContact OE2-CE2 3.48Å; E1472-Y1638 PolarHBondContact OE2-OH 3.1Å |
| 1473 | T | 52.7 | Low | 53.8 | Low | 17 Ų | 17 | 68.9 Ų | 68.9 | 10% | 0.104 | 35% | 0.349 | C | S | . | . | trans | -96.3 | 156.4 | 167.9 | 53.7 | 0 | 0 | 0 | 0 | 109.8 | D1475 Y1618 | T1473-D1475 PolarHBondContact O-N 3.33Å; T1473-Y1618 WeakPolarHBondContact OG1-CE2 3.16Å | ||
| 1474 | K | 50.2 | Low | 52.5 | Low | 145 Ų | 145 | 75 Ų | 75 | 63% | 0.63 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -63.2 | -4 | -172.6 | -85.9 | -174.1 | 174.4 | -177.3 | 0 | 116.1 | S1476 M1636 | K1474-S1476 PolarHBondContact O-N 3.43Å; K1474-M1636 HydrophobicContact CG-CE 4.21Å |
| 1475 | D | 47.4 | Very low | 51.3 | Low | 99 Ų | 99 | 68.9 Ų | 68.9 | 53% | 0.529 | 36% | 0.363 | S | S | . | . | trans | -77.6 | 119.9 | 179.9 | -76.5 | -28.1 | 0 | 0 | 0 | 111.7 | T1473 S1477 S1478 | T1473-D1475 PolarHBondContact O-N 3.33Å; D1475-S1477 PolarHBondContact O-N 2.63Å; D1475-S1478 PolarHBondContact O-N 2.86Å; D1475-S1478 PolarHBondContact O-OG 2.88Å; D1475-S1478 VanDerWaalsContact O-OG 3.1Å | ||
| 1476 | S | 43.1 | Very low | 50.1 | Low | 111 Ų | 111 | 71.3 Ų | 71.3 | 78% | 0.776 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -9.2 | -169 | 57.2 | 0 | 0 | 0 | 0 | 117.3 | K1474 S1478 | K1474-S1476 PolarHBondContact O-N 3.43Å; S1476-S1478 VanDerWaalsContact C-N 3.27Å; S1476-S1478 PolarHBondContact O-N 3.13Å |
| 1477 | S | 45.1 | Very low | 48.6 | Very low | 82 Ų | 82 | 76.9 Ų | 76.9 | 57% | 0.573 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -72 | -18.3 | 178.3 | 45.3 | 0 | 0 | 0 | 0 | 113.9 | D1475 | D1475-S1477 PolarHBondContact O-N 2.63Å |
| 1478 | S | 42.1 | Very low | 47.6 | Very low | 20 Ų | 20 | 80.1 Ų | 80.1 | 14% | 0.14 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -70.8 | -36.9 | -179.1 | -40.6 | 0 | 0 | 0 | 0 | 112.9 | E1472 D1475 S1476 A1480 M1481 V1482 | E1472-S1478 WeakPolarHBondContact OE1-CB 3.13Å; D1475-S1478 PolarHBondContact O-N 2.86Å; D1475-S1478 PolarHBondContact O-OG 2.88Å; D1475-S1478 VanDerWaalsContact O-OG 3.1Å; S1476-S1478 VanDerWaalsContact C-N 3.27Å; S1476-S1478 PolarHBondContact O-N 3.13Å; S1478-A1480 PolarHBondContact O-N 3.17Å; S1478-M1481 PolarHBondContact O-N 2.85Å; S1478-V1482 WeakPolarHBondContact O-CG2 3.25Å; S1478-V1482 PolarHBondContact O-N 2.84Å |
| 1479 | R | 39.7 | Very low | 46.3 | Very low | 180 Ų | 180 | 81.1 Ų | 81.1 | 68% | 0.679 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -68.5 | -33.6 | -169 | -156.6 | 174.2 | -168.6 | 162.7 | 4.5 | 113.6 | M1483 | R1479-M1483 WeakPolarHBondContact O-CG 3.17Å; R1479-M1483 PolarHBondContact O-N 2.83Å |
| 1480 | A | 46 | Very low | 45 | Very low | 72 Ų | 72 | 87.8 Ų | 87.8 | 60% | 0.595 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.8 | -39.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1478 M1483 E1484 | S1478-A1480 PolarHBondContact O-N 3.17Å; A1480-M1483 PolarHBondContact O-N 2.91Å; A1480-E1484 PolarHBondContact O-N 2.89Å |
| 1481 | M | 41.8 | Very low | 43.8 | Very low | 100 Ų | 100 | 89.7 Ų | 89.7 | 49% | 0.493 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.9 | -33.1 | 176.4 | -74.8 | -176.6 | 71.5 | 0 | 0 | 112.7 | S1478 M1483 E1484 A1485 I1495 | S1478-M1481 PolarHBondContact O-N 2.85Å; M1481-M1483 VanDerWaalsContact C-N 3.33Å; M1481-E1484 PolarHBondContact O-N 2.86Å; M1481-A1485 PolarHBondContact O-N 2.93Å; M1481-I1495 HydrophobicContact CE-CD1 3.75Å; M1481-I1495 HydrophobicContact CE-CG2 4.35Å |
| 1482 | V | 43.5 | Very low | 42.5 | Very low | 48 Ų | 48 | 93.8 Ų | 93.8 | 29% | 0.291 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 174.4 | 173 | 0 | 0 | 0 | 0 | 111.3 | M1470 S1478 A1485 A1486 | M1470-V1482 HydrophobicContact CE-CG1 4.32Å; M1470-V1482 HydrophobicContact CE-CG2 4.29Å; M1470-V1482 HydrophobicContact SD-CG2 4.11Å; S1478-V1482 WeakPolarHBondContact O-CG2 3.25Å; S1478-V1482 PolarHBondContact O-N 2.84Å; V1482-A1485 PolarHBondContact O-N 2.86Å; V1482-A1486 WeakPolarHBondContact O-CB 3.16Å; V1482-A1486 PolarHBondContact O-N 3.01Å |
| 1483 | M | 43.5 | Very low | 41.7 | Very low | 130 Ų | 130 | 97.3 Ų | 97.3 | 64% | 0.64 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 174.6 | -72.2 | -73 | -151.4 | 0 | 0 | 111.6 | R1479 A1480 M1481 A1486 E1487 | R1479-M1483 WeakPolarHBondContact O-CG 3.17Å; R1479-M1483 PolarHBondContact O-N 2.83Å; A1480-M1483 PolarHBondContact O-N 2.91Å; M1481-M1483 VanDerWaalsContact C-N 3.33Å; M1483-A1486 PolarHBondContact O-N 2.88Å; M1483-E1487 PolarHBondContact O-N 2.78Å; M1483-E1487 VanDerWaalsContact O-N 3.08Å |
| 1484 | E | 43.6 | Very low | 40.7 | Very low | 134 Ų | 134 | 100.5 Ų | 100.5 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.4 | -34.1 | 178.9 | -159.1 | 175.3 | -164 | 0 | 0 | 112.6 | A1480 M1481 E1487 S1488 | A1480-E1484 PolarHBondContact O-N 2.89Å; M1481-E1484 PolarHBondContact O-N 2.86Å; E1484-E1487 PolarHBondContact O-N 2.95Å; E1484-S1488 WeakPolarHBondContact O-CB 3.29Å; E1484-S1488 PolarHBondContact O-N 2.93Å; E1484-S1488 PolarHBondContact O-OG 2.74Å |
| 1485 | A | 40.4 | Very low | 39.6 | Very low | 39 Ų | 39 | 99.1 Ų | 99.1 | 32% | 0.322 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.2 | -36.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1481 V1482 E1487 S1488 G1489 | M1481-A1485 PolarHBondContact O-N 2.93Å; V1482-A1485 PolarHBondContact O-N 2.86Å; A1485-E1487 VanDerWaalsContact C-N 3.3Å; A1485-S1488 PolarHBondContact O-N 3.37Å; A1485-G1489 PolarHBondContact O-N 2.79Å |
| 1486 | A | 38.5 | Very low | 38.8 | Very low | 81 Ų | 81 | 99.1 Ų | 99.1 | 67% | 0.669 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.4 | -35.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1482 M1483 | V1482-A1486 WeakPolarHBondContact O-CB 3.16Å; V1482-A1486 PolarHBondContact O-N 3.01Å; M1483-A1486 PolarHBondContact O-N 2.88Å |
| 1487 | E | 40.5 | Very low | 38.1 | Very low | 175 Ų | 175 | 100 Ų | 100 | 82% | 0.818 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -75.3 | -34.4 | 175.6 | -74.8 | -175.1 | 171 | 0 | 0 | 113.4 | M1483 E1484 A1485 | M1483-E1487 PolarHBondContact O-N 2.78Å; M1483-E1487 VanDerWaalsContact O-N 3.08Å; E1484-E1487 PolarHBondContact O-N 2.95Å; A1485-E1487 VanDerWaalsContact C-N 3.3Å |
| 1488 | S | 45.1 | Very low | 37.3 | Very low | 70 Ų | 70 | 104.6 Ų | 104.6 | 49% | 0.49 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -87.4 | -8.8 | -176.8 | 55.8 | 0 | 0 | 0 | 0 | 114.9 | E1484 A1485 F1490 | E1484-S1488 WeakPolarHBondContact O-CB 3.29Å; E1484-S1488 PolarHBondContact O-N 2.93Å; E1484-S1488 PolarHBondContact O-OG 2.74Å; A1485-S1488 PolarHBondContact O-N 3.37Å; S1488-F1490 WeakPolarHBondContact O-CD2 3.33Å; S1488-F1490 PolarHBondContact O-N 3.15Å; S1488-F1490 VanDerWaalsContact O-N 3.12Å |
| 1489 | G | 35.1 | Very low | 36.7 | Very low | 64 Ų | 64 | 114.1 Ų | 114.1 | 66% | 0.66 | 59% | 0.589 | S | S | * | * | trans | 69.8 | 4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1485 | A1485-G1489 PolarHBondContact O-N 2.79Š| ||
| 1490 | F | 35.4 | Very low | 36.3 | Very low | 150 Ų | 150 | 110 Ų | 110 | 66% | 0.658 | 58% | 0.584 | S | S | * | * | trans | -107.1 | 96.4 | 178.6 | -76.9 | -83.4 | 0 | 0 | 0 | 110.5 | S1488 F1492 | S1488-F1490 WeakPolarHBondContact O-CD2 3.33Å; S1488-F1490 PolarHBondContact O-N 3.15Å; S1488-F1490 VanDerWaalsContact O-N 3.12Å; F1490-F1492 HydrophobicContact CB-CD2 4.18Å; F1490-F1492 HydrophobicContact CB-CE2 4.36Å; F1490-F1492 HydrophobicContact CD1-CE2 4.12Å; F1490-F1492 PolarHBondContact O-N 2.77Å | ||
| 1491 | I | 34.1 | Very low | 35.5 | Very low | 78 Ų | 78 | 110 Ų | 110 | 40% | 0.4 | 59% | 0.591 | S | S | . | * | trans | -78.4 | 87.8 | 175.4 | -56.4 | 170 | 0 | 0 | 0 | 108.6 | Y1468 | Y1468-I1491 HydrophobicContact CD1-CG2 4.42Å; Y1468-I1491 HydrophobicContact CD2-CD1 3.59Å; Y1468-I1491 HydrophobicContact CE2-CD1 3.42Å; Y1468-I1491 VanDerWaalsContact CE2-CD1 3.42Å; Y1468-I1491 HydrophobicContact CG-CD1 4.23Å | ||
| 1492 | F | 33.2 | Very low | 34.8 | Very low | 144 Ų | 144 | 114.3 Ų | 114.3 | 63% | 0.632 | 61% | 0.607 | S | S | * | * | trans | -98.8 | 112.6 | 165.8 | -81.4 | -81.2 | 0 | 0 | 0 | 109.7 | F1490 T1494 | F1490-F1492 HydrophobicContact CB-CD2 4.18Å; F1490-F1492 HydrophobicContact CB-CE2 4.36Å; F1490-F1492 HydrophobicContact CD1-CE2 4.12Å; F1490-F1492 PolarHBondContact O-N 2.77Å; F1492-T1494 WeakPolarHBondContact CD1-OG1 3.5Å; F1492-T1494 PolarHBondContact O-N 2.91Å; F1492-T1494 VanDerWaalsContact O-N 3.07Å | ||
| 1493 | L | 34.5 | Very low | 34 | Very low | 105 Ų | 105 | 121.6 Ų | 121.6 | 55% | 0.55 | 63% | 0.631 | S | S | . | * | trans | -70.4 | 17.7 | 161.5 | -113.5 | 150.8 | 0 | 0 | 0 | 112.6 | ||||
| 1494 | T | 32 | Very low | 33.1 | Very low | 83 Ų | 83 | 121.3 Ų | 121.3 | 51% | 0.509 | 64% | 0.641 | S | S | . | * | trans | -99.1 | 18 | -167.3 | -36.9 | 0 | 0 | 0 | 0 | 114.2 | F1492 | F1492-T1494 WeakPolarHBondContact CD1-OG1 3.5Å; F1492-T1494 PolarHBondContact O-N 2.91Å; F1492-T1494 VanDerWaalsContact O-N 3.07Å | ||
| 1495 | I | 27.9 | Very low | 32.2 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 60% | 0.6 | 65% | 0.647 | S | S | * | * | trans | -109.8 | 105.8 | 175.7 | -48.9 | -178.9 | 0 | 0 | 0 | 109.2 | M1481 | M1481-I1495 HydrophobicContact CE-CD1 3.75Å; M1481-I1495 HydrophobicContact CE-CG2 4.35Å | ||
| 1496 | M | 29.3 | Very low | 31.6 | Very low | 98 Ų | 98 | 128 Ų | 128 | 48% | 0.483 | 67% | 0.669 | S | S | . | * | S | Bend | trans | 147.8 | 52.7 | 139.1 | -75.9 | -174.2 | 67.1 | 0 | 0 | 113.4 | Y1618 L1619 | M1496-Y1618 HydrophobicContact CE-CD1 3.78Å; M1496-Y1618 HydrophobicContact CE-CE1 3.46Å; M1496-Y1618 VanDerWaalsContact CE-CE1 3.46Å; M1496-Y1618 HydrophobicContact SD-CD1 4.31Å; M1496-Y1618 HydrophobicContact SD-CE1 3.54Å; M1496-Y1618 VanDerWaalsContact SD-CE1 3.54Å; M1496-L1619 HydrophobicContact CB-CD1 4.23Å; M1496-L1619 HydrophobicContact CB-CD2 4.21Å; M1496-L1619 WeakPolarHBondContact O-CD1 3.24Å; M1496-L1619 WeakPolarHBondContact O-CD2 3.29Å; M1496-L1619 WeakPolarHBondContact O-CG 3.39Å |
| 1497 | Y | 29.5 | Very low | 31.1 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 51% | 0.514 | 66% | 0.66 | S | S | . | * | trans | -145.1 | 74.2 | 152.7 | -132.4 | -88.1 | 0 | 0 | 0 | 112 | R1499 T1500 L1619 | Y1497-R1499 VanDerWaalsContact CE1-C 3.45Å; Y1497-R1499 WeakPolarHBondContact CE1-O 3.38Å; Y1497-T1500 VanDerWaalsContact CE1-OG1 3.25Å; Y1497-T1500 WeakPolarHBondContact CE1-OG1 3.37Å; Y1497-T1500 PolarHBondContact OH-OG1 2.89Å; Y1497-L1619 HydrophobicContact CD2-CB 3.69Å; Y1497-L1619 HydrophobicContact CD2-CD1 3.47Å; Y1497-L1619 VanDerWaalsContact CD2-CD1 3.47Å; Y1497-L1619 HydrophobicContact CD2-CD2 3.86Å; Y1497-L1619 HydrophobicContact CD2-CG 3.76Å; Y1497-L1619 HydrophobicContact CE2-CB 3.69Å; Y1497-L1619 HydrophobicContact CE2-CD1 3.67Å; Y1497-L1619 HydrophobicContact CE2-CG 4.11Å | ||
| 1498 | I | 28.2 | Very low | 30.5 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 91% | 0.913 | 66% | 0.661 | S | S | * | * | trans | -89.1 | 1 | 165.4 | -75 | 175.5 | 0 | 0 | 0 | 111.8 | ||||
| 1499 | R | 29.8 | Very low | 29.8 | Very low | 219 Ų | 219 | 125.1 Ų | 125.1 | 83% | 0.826 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -136.9 | 81.9 | 179.7 | -86 | -176.1 | 171.9 | 173.8 | -2.1 | 112 | Y1497 | Y1497-R1499 VanDerWaalsContact CE1-C 3.45Å; Y1497-R1499 WeakPolarHBondContact CE1-O 3.38Å |
| 1500 | T | 31 | Very low | 29.9 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 58% | 0.577 | 66% | 0.661 | S | S | * | * | 164.4 | 120.3 | 118 | 45.7 | 0 | 0 | 0 | 0 | 107.7 | Y1497 F1502 | Y1497-T1500 VanDerWaalsContact CE1-OG1 3.25Å; Y1497-T1500 WeakPolarHBondContact CE1-OG1 3.37Å; Y1497-T1500 PolarHBondContact OH-OG1 2.89Å; T1500-F1502 PolarHBondContact O-N 2.91Å; T1500-F1502 VanDerWaalsContact O-N 3.14Å | |||
| 1501 | G | 28 | Very low | 30 | Very low | 72 Ų | 72 | 128.5 Ų | 128.5 | 74% | 0.742 | 66% | 0.663 | S | S | * | * | trans | -66 | 109.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1502 | F | 27.9 | Very low | 30.2 | Very low | 190 Ų | 190 | 127.2 Ų | 127.2 | 83% | 0.833 | 67% | 0.668 | S | S | * | * | trans | -134.7 | 99.9 | 157.8 | -93.6 | -83.3 | 0 | 0 | 0 | 108.3 | T1500 C1504 | T1500-F1502 PolarHBondContact O-N 2.91Å; T1500-F1502 VanDerWaalsContact O-N 3.14Å; F1502-C1504 PolarHBondContact O-N 2.59Å | ||
| 1503 | Y | 25.8 | Very low | 30.4 | Very low | 201 Ų | 201 | 126.4 Ų | 126.4 | 79% | 0.788 | 67% | 0.671 | S | S | * | * | trans | -65.5 | 118.9 | 167 | -91.7 | -105.4 | 0 | 0 | 0 | 108.9 | ||||
| 1504 | C | 24.3 | Very low | 30.7 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 85% | 0.845 | 66% | 0.655 | S | S | * | * | trans | -110.1 | 86.6 | 163.9 | -87.3 | 0 | 0 | 0 | 0 | 109.6 | F1502 Q1506 | F1502-C1504 PolarHBondContact O-N 2.59Å; C1504-Q1506 PolarHBondContact O-N 2.79Å; C1504-Q1506 VanDerWaalsContact O-N 3.07Å | ||
| 1505 | D | 25.7 | Very low | 31.2 | Very low | 140 Ų | 140 | 124.4 Ų | 124.4 | 75% | 0.749 | 65% | 0.652 | S | S | * | * | trans | -75.3 | 34.2 | -179.8 | -87.8 | -19.6 | 0 | 0 | 0 | 114.8 | ||||
| 1506 | Q | 27.1 | Very low | 31.9 | Very low | 172 Ų | 172 | 119.7 Ų | 119.7 | 80% | 0.804 | 63% | 0.63 | S | S | * | * | trans | -136.2 | 49 | -169.7 | -67.3 | -166.7 | -2.9 | 0 | 0 | 116.5 | C1504 | C1504-Q1506 PolarHBondContact O-N 2.79Å; C1504-Q1506 VanDerWaalsContact O-N 3.07Å | ||
| 1507 | L | 29.1 | Very low | 32.5 | Very low | 89 Ų | 89 | 117.2 Ų | 117.2 | 47% | 0.466 | 62% | 0.618 | S | S | . | * | trans | -141.5 | 43.6 | 172.9 | -88.5 | 166.6 | 0 | 0 | 0 | 114.1 | K1515 | L1507-K1515 HydrophobicContact CD2-CB 3.39Å; L1507-K1515 HydrophobicContact CD2-CD 3.75Å; L1507-K1515 HydrophobicContact CD2-CG 4.21Å | ||
| 1508 | V | 26.8 | Very low | 33.5 | Very low | 141 Ų | 141 | 112 Ų | 112 | 86% | 0.855 | 60% | 0.601 | S | S | * | * | trans | -134.8 | 90.2 | 160.6 | -173.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1509 | S | 31 | Very low | 34.7 | Very low | 36 Ų | 36 | 104.8 Ų | 104.8 | 25% | 0.252 | 56% | 0.564 | S | S | . | * | trans | -91.1 | 136.7 | 160.5 | 44.1 | 0 | 0 | 0 | 0 | 108.4 | E1511 K1515 | S1509-E1511 PolarHBondContact O-N 3.34Å; S1509-E1511 VanDerWaalsContact O-N 3.17Å; S1509-K1515 WeakPolarHBondContact OG-CE 3.28Å; S1509-K1515 PolarHBondContact OG-NZ 2.93Å | ||
| 1510 | P | 37.1 | Very low | 35.5 | Very low | 136 Ų | 136 | 97.6 Ų | 97.6 | 88% | 0.883 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -68.6 | -9.2 | -178.6 | -13.6 | 27.7 | 0 | 0 | 0 | 114 | G1512 | P1510-G1512 PolarHBondContact O-N 3.42Š|
| 1511 | E | 37.4 | Very low | 36.2 | Very low | 150 Ų | 150 | 95.5 Ų | 95.5 | 70% | 0.701 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -69.5 | 112.6 | 169.4 | -67.1 | 177.5 | 172.9 | 0 | 0 | 107.2 | S1509 D1513 | S1509-E1511 PolarHBondContact O-N 3.34Å; S1509-E1511 VanDerWaalsContact O-N 3.17Å; E1511-D1513 PolarHBondContact O-N 3.07Å |
| 1512 | G | 38.5 | Very low | 37 | Very low | 50 Ų | 50 | 94 Ų | 94 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -61.9 | 25.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | P1510 R1581 | P1510-G1512 PolarHBondContact O-N 3.42Å; G1512-R1581 PolarHBondContact O-NH1 3.33Å; G1512-R1581 PolarHBondContact O-NH2 2.91Å |
| 1513 | D | 38.3 | Very low | 37.7 | Very low | 128 Ų | 128 | 87 Ų | 87 | 68% | 0.684 | 49% | 0.493 | S | S | * | . | trans | -80.7 | 108 | 161.8 | -73.6 | -10.6 | 0 | 0 | 0 | 107.6 | E1511 K1515 | E1511-D1513 PolarHBondContact O-N 3.07Å; D1513-K1515 PolarHBondContact O-N 2.88Å | ||
| 1514 | L | 39.8 | Very low | 38.3 | Very low | 40 Ų | 40 | 85.4 Ų | 85.4 | 21% | 0.209 | 49% | 0.491 | C | S | . | . | trans | -57.7 | 93.3 | 168.9 | -126 | 139.9 | 0 | 0 | 0 | 107.1 | S1516 L1517 L1551 R1581 | L1514-S1516 PolarHBondContact O-N 2.98Å; L1514-L1517 HydrophobicContact CD2-CD1 4.46Å; L1514-L1551 HydrophobicContact CD1-CD1 4.27Å; L1514-R1581 HydrophobicContact CD1-CG 4.4Å | ||
| 1515 | K | 42.3 | Very low | 39.2 | Very low | 105 Ų | 105 | 87.8 Ų | 87.8 | 46% | 0.457 | 49% | 0.489 | S | S | . | . | trans | -58.3 | 114.6 | 173.8 | -80.5 | -178 | 174.9 | 167 | 0 | 106 | L1507 S1509 D1513 L1517 | L1507-K1515 HydrophobicContact CD2-CB 3.39Å; L1507-K1515 HydrophobicContact CD2-CD 3.75Å; L1507-K1515 HydrophobicContact CD2-CG 4.21Å; S1509-K1515 WeakPolarHBondContact OG-CE 3.28Å; S1509-K1515 PolarHBondContact OG-NZ 2.93Å; D1513-K1515 PolarHBondContact O-N 2.88Å; K1515-L1517 PolarHBondContact O-N 2.83Å | ||
| 1516 | S | 42.3 | Very low | 39.9 | Very low | 18 Ų | 18 | 86 Ų | 86 | 13% | 0.126 | 48% | 0.48 | C | S | . | . | trans | -16.4 | 89.8 | 168.4 | -163.1 | 0 | 0 | 0 | 0 | 113.5 | L1514 S1518 D1566 F1576 C1578 R1580 | L1514-S1516 PolarHBondContact O-N 2.98Å; S1516-S1518 PolarHBondContact O-N 3.43Å; S1516-D1566 WeakPolarHBondContact CB-OD2 3.28Å; S1516-D1566 WeakPolarHBondContact OG-CB 3.38Å; S1516-D1566 PolarHBondContact OG-OD2 3.11Å; S1516-F1576 WeakPolarHBondContact OG-CE2 3.4Å; S1516-C1578 VanDerWaalsContact OG-CB 3.3Å; S1516-C1578 WeakPolarHBondContact OG-CB 3.15Å; S1516-C1578 PolarHBondContact OG-SG 3.23Å; S1516-R1580 VanDerWaalsContact CB-NH2 3.34Å; S1516-R1580 PolarHBondContact OG-NH2 3.09Å | ||
| 1517 | L | 43.4 | Very low | 40.7 | Very low | 46 Ų | 46 | 83.5 Ų | 83.5 | 24% | 0.241 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 116.3 | 179.1 | -110 | 114 | 0 | 0 | 0 | 107.4 | L1514 K1515 L1519 Y1522 C1578 V1579 | L1514-L1517 HydrophobicContact CD2-CD1 4.46Å; K1515-L1517 PolarHBondContact O-N 2.83Å; L1517-L1519 PolarHBondContact O-N 2.81Å; L1517-Y1522 HydrophobicContact CB-CD2 4.47Å; L1517-Y1522 HydrophobicContact CD2-CD2 4.28Å; L1517-C1578 WeakPolarHBondContact O-CA 3.25Å; L1517-C1578 WeakPolarHBondContact O-CB 3.39Å; L1517-V1579 PolarHBondContact O-N 3.23Å |
| 1518 | S | 50.1 | Low | 41.5 | Very low | 22 Ų | 22 | 83.9 Ų | 83.9 | 15% | 0.154 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 134.8 | 172.5 | -177.4 | 0 | 0 | 0 | 0 | 110 | S1516 S1520 A1521 | S1516-S1518 PolarHBondContact O-N 3.43Å; S1518-S1520 PolarHBondContact O-N 2.88Å; S1518-S1520 VanDerWaalsContact O-N 3.11Å; S1518-S1520 PolarHBondContact OG-OG 2.87Å; S1518-A1521 WeakPolarHBondContact O-CB 3.5Å; S1518-A1521 PolarHBondContact O-N 3.43Å |
| 1519 | L | 52.5 | Low | 42.7 | Very low | 27 Ų | 27 | 81.7 Ų | 81.7 | 14% | 0.141 | 47% | 0.474 | C | S | . | . | G | 310 helix | trans | -56 | -29.7 | -178.7 | -151.2 | 82.3 | 0 | 0 | 0 | 112.8 | F1471 L1517 A1521 Y1522 W1534 L1563 L1577 V1579 | F1471-L1519 HydrophobicContact CD2-CD2 4.4Å; F1471-L1519 HydrophobicContact CE2-CD2 3.3Å; F1471-L1519 HydrophobicContact CZ-CD2 3.46Å; F1471-L1519 VanDerWaalsContact CZ-CD2 3.46Å; L1517-L1519 PolarHBondContact O-N 2.81Å; L1519-A1521 VanDerWaalsContact C-N 3.28Å; L1519-A1521 PolarHBondContact O-N 3.2Å; L1519-Y1522 VanDerWaalsContact O-CB 3.27Å; L1519-Y1522 WeakPolarHBondContact O-CB 3.24Å; L1519-Y1522 PolarHBondContact O-N 3.46Å; L1519-W1534 HydrophobicContact CD1-CH2 4.16Å; L1519-W1534 HydrophobicContact CD1-CZ2 4.06Å; L1519-L1563 HydrophobicContact CD1-CD1 3.61Å; L1519-L1577 HydrophobicContact CB-CB 4.48Å; L1519-L1577 PolarHBondContact N-O 3.4Å; L1519-L1577 VanDerWaalsContact N-O 3.16Å; L1519-V1579 HydrophobicContact CD1-CG2 3.74Å |
| 1520 | S | 47.5 | Very low | 43.8 | Very low | 67 Ų | 67 | 81.9 Ų | 81.9 | 47% | 0.469 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -65.8 | -28.4 | 177.5 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | S1518 Y1522 | S1518-S1520 PolarHBondContact O-N 2.88Å; S1518-S1520 VanDerWaalsContact O-N 3.11Å; S1518-S1520 PolarHBondContact OG-OG 2.87Å; S1520-Y1522 VanDerWaalsContact C-N 3.33Å |
| 1521 | A | 44.5 | Very low | 44.9 | Very low | 51 Ų | 51 | 75.9 Ų | 75.9 | 42% | 0.421 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -80.7 | -14.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | S1518 L1519 G1523 | S1518-A1521 WeakPolarHBondContact O-CB 3.5Å; S1518-A1521 PolarHBondContact O-N 3.43Å; L1519-A1521 VanDerWaalsContact C-N 3.28Å; L1519-A1521 PolarHBondContact O-N 3.2Å; A1521-G1523 VanDerWaalsContact C-N 3.32Å; A1521-G1523 PolarHBondContact O-N 3.49Å |
| 1522 | Y | 44.7 | Very low | 46.1 | Very low | 40 Ų | 40 | 70.9 Ų | 70.9 | 16% | 0.157 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -25.5 | -169.8 | -141.3 | -95.7 | 0 | 0 | 0 | 113.3 | L1517 L1519 S1520 F1524 N1531 Q1547 V1579 | L1517-Y1522 HydrophobicContact CB-CD2 4.47Å; L1517-Y1522 HydrophobicContact CD2-CD2 4.28Å; L1519-Y1522 VanDerWaalsContact O-CB 3.27Å; L1519-Y1522 WeakPolarHBondContact O-CB 3.24Å; L1519-Y1522 PolarHBondContact O-N 3.46Å; S1520-Y1522 VanDerWaalsContact C-N 3.33Å; Y1522-F1524 VanDerWaalsContact C-N 3.35Å; Y1522-F1524 PolarHBondContact O-N 2.74Å; Y1522-N1531 HydrophobicContact CE1-CB 4.28Å; Y1522-Q1547 WeakPolarHBondContact OH-CB 3.14Å; Y1522-Q1547 WeakPolarHBondContact OH-CG 3.4Å; Y1522-Q1547 PolarHBondContact OH-OE1 2.79Å; Y1522-V1579 HydrophobicContact CD2-CB 4.38Å; Y1522-V1579 HydrophobicContact CD2-CG2 3.93Å; Y1522-V1579 HydrophobicContact CE2-CB 3.73Å; Y1522-V1579 HydrophobicContact CE2-CG1 4.05Å; Y1522-V1579 HydrophobicContact CE2-CG2 3.65Å |
| 1523 | G | 43.3 | Very low | 47.5 | Very low | 43 Ų | 43 | 69.7 Ų | 69.7 | 44% | 0.443 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -12 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A1521 | A1521-G1523 VanDerWaalsContact C-N 3.32Å; A1521-G1523 PolarHBondContact O-N 3.49Å |
| 1524 | F | 39.6 | Very low | 49.2 | Very low | 168 Ų | 168 | 64.3 Ų | 64.3 | 74% | 0.737 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -100.7 | -24.3 | -164 | -133.3 | -86.4 | 0 | 0 | 0 | 116.1 | Y1522 | Y1522-F1524 VanDerWaalsContact C-N 3.35Å; Y1522-F1524 PolarHBondContact O-N 2.74Å |
| 1525 | Q | 42.4 | Very low | 50.8 | Low | 174 Ų | 174 | 65.3 Ų | 65.3 | 81% | 0.813 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -110.7 | -15.8 | -166.7 | -78.6 | -168.4 | -8.8 | 0 | 0 | 117.7 | ||
| 1526 | N | 40.8 | Very low | 52.3 | Low | 104 Ų | 104 | 63 Ų | 63 | 56% | 0.556 | 37% | 0.37 | S | S | * | . | trans | -121.8 | 114.7 | 179.5 | -79.5 | -16.9 | 0 | 0 | 0 | 111.6 | D1528 N1531 | N1526-D1528 PolarHBondContact O-N 2.97Å; N1526-D1528 VanDerWaalsContact O-N 3.1Å; N1526-N1531 WeakPolarHBondContact CB-ND2 2.89Å; N1526-N1531 PolarHBondContact ND2-ND2 3.1Å | ||
| 1527 | S | 44.1 | Very low | 53.6 | Low | 118 Ų | 118 | 64 Ų | 64 | 83% | 0.825 | 38% | 0.376 | S | S | * | . | trans | -64.2 | -4.6 | 174.8 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | C1529 | S1527-C1529 PolarHBondContact O-N 3.14Š| ||
| 1528 | D | 45.4 | Very low | 54.6 | Low | 97 Ų | 97 | 68 Ų | 68 | 52% | 0.519 | 40% | 0.403 | S | S | . | . | trans | -77.6 | 106.4 | 177.5 | -69.9 | -21.7 | 0 | 0 | 0 | 110.6 | N1526 A1530 N1531 | N1526-D1528 PolarHBondContact O-N 2.97Å; N1526-D1528 VanDerWaalsContact O-N 3.1Å; D1528-A1530 PolarHBondContact O-N 3.02Å; D1528-N1531 PolarHBondContact O-N 3.24Å | ||
| 1529 | C | 51.3 | Low | 55.3 | Low | 96 Ų | 96 | 72.5 Ų | 72.5 | 65% | 0.649 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -50.9 | -24.2 | 175.7 | -63.2 | 0 | 0 | 0 | 0 | 113.5 | S1527 N1531 Q1532 | S1527-C1529 PolarHBondContact O-N 3.14Å; C1529-N1531 PolarHBondContact O-N 2.91Å; C1529-Q1532 PolarHBondContact O-N 3.32Å |
| 1530 | A | 54 | Low | 56.1 | Low | 40 Ų | 40 | 72.1 Ų | 72.1 | 33% | 0.331 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -62.8 | -26 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D1528 Q1532 L1533 G1546 | D1528-A1530 PolarHBondContact O-N 3.02Å; A1530-Q1532 PolarHBondContact O-N 3.45Å; A1530-L1533 PolarHBondContact O-N 2.85Å; A1530-G1546 WeakPolarHBondContact O-CA 3.28Å; A1530-G1546 PolarHBondContact O-N 3.49Å |
| 1531 | N | 60.3 | Low | 57.7 | Low | 9 Ų | 9 | 70 Ų | 70 | 5% | 0.048 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -71.4 | -10.9 | 178.4 | -68.3 | -29.6 | 0 | 0 | 0 | 113.2 | Y1522 N1526 D1528 C1529 N1544 G1546 Q1547 | Y1522-N1531 HydrophobicContact CE1-CB 4.28Å; N1526-N1531 WeakPolarHBondContact CB-ND2 2.89Å; N1526-N1531 PolarHBondContact ND2-ND2 3.1Å; D1528-N1531 PolarHBondContact O-N 3.24Å; C1529-N1531 PolarHBondContact O-N 2.91Å; N1531-N1544 PolarHBondContact O-ND2 2.95Å; N1531-G1546 VanDerWaalsContact OD1-CA 3.26Å; N1531-G1546 WeakPolarHBondContact OD1-CA 3.22Å; N1531-Q1547 PolarHBondContact OD1-N 2.8Å |
| 1532 | Q | 62.7 | Low | 59.4 | Low | 46 Ų | 46 | 67.7 Ų | 67.7 | 22% | 0.215 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -97.5 | -8.1 | 174.4 | -62.6 | -173.4 | -0.7 | 0 | 0 | 113.2 | Y1468 C1529 A1530 W1534 | Y1468-Q1532 HydrophobicContact CD1-CB 3.93Å; Y1468-Q1532 WeakPolarHBondContact CD1-O 3.39Å; Y1468-Q1532 HydrophobicContact CE1-CB 3.99Å; C1529-Q1532 PolarHBondContact O-N 3.32Å; A1530-Q1532 PolarHBondContact O-N 3.45Å; Q1532-W1534 PolarHBondContact O-NE1 3.43Å |
| 1533 | L | 69.1 | Low | 61.1 | Low | 24 Ų | 24 | 66.1 Ų | 66.1 | 13% | 0.126 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 131.9 | 177.3 | -73.8 | 168.2 | 0 | 0 | 0 | 110.2 | Q1466 Y1468 A1530 V1545 | Q1466-L1533 HydrophobicContact CB-CD2 4.2Å; Y1468-L1533 HydrophobicContact CD1-CD2 4.27Å; Y1468-L1533 HydrophobicContact CD2-CD2 4.24Å; Y1468-L1533 HydrophobicContact CE1-CD2 3.75Å; Y1468-L1533 HydrophobicContact CE1-CG 4.01Å; Y1468-L1533 HydrophobicContact CE2-CD2 3.7Å; Y1468-L1533 VanDerWaalsContact CZ-CD2 3.43Å; A1530-L1533 PolarHBondContact O-N 2.85Å; L1533-V1545 HydrophobicContact CB-CB 3.99Å; L1533-V1545 HydrophobicContact CB-CG2 4.03Å; L1533-V1545 WeakPolarHBondContact O-CB 3.44Å; L1533-V1545 WeakPolarHBondContact O-CG2 3.47Å; L1533-V1545 PolarHBondContact O-N 2.94Å |
| 1534 | W | 73.6 | Confident | 62.8 | Low | 15 Ų | 15 | 64.1 Ų | 64.1 | 6% | 0.057 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 145.4 | 178.6 | -61 | 84.2 | 0 | 0 | 0 | 110.4 | Q1466 F1467 I1469 L1519 Q1532 L1542 V1543 N1544 L1563 V1579 | Q1466-W1534 CarbonylContact C-O 3.49Å; Q1466-W1534 WeakPolarHBondContact CA-O 3.49Å; F1467-W1534 WeakPolarHBondContact CD1-O 3.44Å; F1467-W1534 HydrophobicContact CD2-CB 4.01Å; F1467-W1534 HydrophobicContact CE2-CB 3.69Å; F1467-W1534 HydrophobicContact CZ-CB 4.1Å; F1467-W1534 PolarHBondContact N-O 2.77Å; F1467-W1534 PolarHBondContact O-N 3.38Å; I1469-W1534 HydrophobicContact CD1-CB 4.05Å; I1469-W1534 HydrophobicContact CD1-CD2 3.7Å; I1469-W1534 HydrophobicContact CD1-CE3 4.27Å; I1469-W1534 HydrophobicContact CD1-CG 3.56Å; I1469-W1534 HydrophobicContact CG1-CB 4.21Å; I1469-W1534 HydrophobicContact CG1-CD2 4.43Å; I1469-W1534 HydrophobicContact CG1-CG 3.84Å; L1519-W1534 HydrophobicContact CD1-CH2 4.16Å; L1519-W1534 HydrophobicContact CD1-CZ2 4.06Å; Q1532-W1534 PolarHBondContact O-NE1 3.43Å; W1534-L1542 HydrophobicContact CE3-CB 4.27Å; W1534-V1543 CarbonylContact C-O 3.51Å; W1534-V1543 VanDerWaalsContact CA-O 3.25Å; W1534-V1543 WeakPolarHBondContact CA-O 2.85Å; W1534-N1544 HydrophobicContact CE3-CB 4.14Å; W1534-N1544 HydrophobicContact CH2-CB 4.11Å; W1534-N1544 WeakPolarHBondContact CZ2-ND2 3.39Å; W1534-N1544 HydrophobicContact CZ3-CB 3.86Å; W1534-L1563 HydrophobicContact CH2-CB 4.45Å; W1534-L1563 HydrophobicContact CH2-CD1 3.99Å; W1534-L1563 HydrophobicContact CZ3-CB 3.94Å; W1534-L1563 HydrophobicContact CZ3-CD1 4.32Å; W1534-V1579 HydrophobicContact CH2-CG2 3.83Å |
| 1535 | E | 73.6 | Confident | 64.3 | Low | 61 Ų | 61 | 57.4 Ų | 57.4 | 29% | 0.285 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.5 | 175.1 | -175.7 | 172.3 | -173.4 | 0 | 0 | 108.3 | V1543 V1545 | E1535-V1543 PolarHBondContact N-O 3.12Å; E1535-V1543 PolarHBondContact O-N 2.82Å; E1535-V1545 HydrophobicContact CB-CG2 4.06Å |
| 1536 | A | 73 | Confident | 65.4 | Low | 56 Ų | 56 | 49.2 Ų | 49.2 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 131.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | F1467 L1541 L1542 | F1467-A1536 HydrophobicContact CE1-CB 3.87Å; F1467-A1536 HydrophobicContact CZ-CB 4Å; A1536-L1541 WeakPolarHBondContact CA-O 3Å; A1536-L1542 HydrophobicContact CB-CD2 3.96Å |
| 1537 | T | 69.4 | Low | 66.7 | Low | 41 Ų | 41 | 46 Ų | 46 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | trans | -91.3 | 160.5 | 172.9 | 72.4 | 0 | 0 | 0 | 0 | 111.4 | D1539 G1540 L1541 V1543 | T1537-D1539 PolarHBondContact O-N 2.87Å; T1537-D1539 VanDerWaalsContact O-N 3.16Å; T1537-G1540 PolarHBondContact O-N 3.26Å; T1537-L1541 HydrophobicContact CG2-CB 4.22Å; T1537-L1541 PolarHBondContact N-O 3.41Å; T1537-L1541 VanDerWaalsContact OG1-CB 3.24Å; T1537-L1541 WeakPolarHBondContact OG1-CB 3.14Å; T1537-L1541 PolarHBondContact OG1-N 2.85Å; T1537-L1541 PolarHBondContact OG1-O 3.45Å; T1537-V1543 HydrophobicContact CG2-CG2 3.58Å | ||
| 1538 | T | 63.7 | Low | 68 | Low | 130 Ų | 130 | 40.9 Ų | 40.9 | 80% | 0.798 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24 | 175.8 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | G1540 | T1538-G1540 PolarHBondContact O-N 2.83Š|
| 1539 | D | 66.7 | Low | 69 | Low | 116 Ų | 116 | 41.9 Ų | 41.9 | 62% | 0.62 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 2.6 | -179.5 | -54.4 | -17.4 | 0 | 0 | 0 | 111.9 | T1537 C1591 | T1537-D1539 PolarHBondContact O-N 2.87Å; T1537-D1539 VanDerWaalsContact O-N 3.16Å; D1539-C1591 PolarHBondContact O-SG 3.33Å |
| 1540 | G | 69.2 | Low | 69.8 | Low | 18 Ų | 18 | 41.1 Ų | 41.1 | 19% | 0.186 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 83.3 | 9.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1537 T1538 C1591 W1592 | T1537-G1540 PolarHBondContact O-N 3.26Å; T1538-G1540 PolarHBondContact O-N 2.83Å; G1540-C1591 CarbonylContact O-C 3.58Å; G1540-C1591 WeakPolarHBondContact O-CA 3.49Å; G1540-W1592 PolarHBondContact O-N 3.48Å |
| 1541 | L | 80.4 | Confident | 70.2 | Confident | 23 Ų | 23 | 40 Ų | 40 | 12% | 0.12 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -78.6 | 137.7 | 177.1 | -54 | 166.3 | 0 | 0 | 0 | 109.8 | A1536 T1537 V1562 Q1590 | A1536-L1541 WeakPolarHBondContact CA-O 3Å; T1537-L1541 HydrophobicContact CG2-CB 4.22Å; T1537-L1541 PolarHBondContact N-O 3.41Å; T1537-L1541 VanDerWaalsContact OG1-CB 3.24Å; T1537-L1541 WeakPolarHBondContact OG1-CB 3.14Å; T1537-L1541 PolarHBondContact OG1-N 2.85Å; T1537-L1541 PolarHBondContact OG1-O 3.45Å; L1541-V1562 HydrophobicContact CB-CB 4.49Å; L1541-V1562 HydrophobicContact CB-CG1 3.81Å; L1541-V1562 HydrophobicContact CD1-CG1 4.38Å; L1541-V1562 HydrophobicContact CD2-CG1 4.46Å; L1541-V1562 HydrophobicContact CG-CG1 4.45Å; L1541-Q1590 HydrophobicContact CD2-CB 3.68Å; L1541-Q1590 WeakPolarHBondContact CD2-O 3.46Å |
| 1542 | L | 79.7 | Confident | 70.4 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 101.5 | 172 | -67.5 | 174.4 | 0 | 0 | 0 | 109.3 | F1467 I1469 W1534 A1536 V1562 L1563 W1592 F1594 L1601 | F1467-L1542 HydrophobicContact CE2-CD2 4.31Å; F1467-L1542 HydrophobicContact CZ-CD2 3.73Å; I1469-L1542 HydrophobicContact CD1-CD1 4.3Å; W1534-L1542 HydrophobicContact CE3-CB 4.27Å; A1536-L1542 HydrophobicContact CB-CD2 3.96Å; L1542-V1562 CarbonylContact O-C 3.32Å; L1542-V1562 WeakPolarHBondContact O-CA 3.27Å; L1542-L1563 HydrophobicContact CB-CB 3.92Å; L1542-L1563 HydrophobicContact CB-CD2 4.5Å; L1542-L1563 HydrophobicContact CD1-CD2 3.74Å; L1542-L1563 PolarHBondContact O-N 3.4Å; L1542-W1592 HydrophobicContact CD1-CB 3.61Å; L1542-W1592 HydrophobicContact CD1-CG 3.78Å; L1542-W1592 HydrophobicContact CG-CB 3.96Å; L1542-W1592 HydrophobicContact CG-CG 4.21Å; L1542-F1594 HydrophobicContact CD1-CE2 4.05Å; L1542-F1594 HydrophobicContact CD1-CZ 4.18Å; L1542-F1594 HydrophobicContact CD2-CE2 3.68Å; L1542-F1594 HydrophobicContact CD2-CZ 4.4Å; L1542-L1601 HydrophobicContact CD1-CD1 3.92Å; L1542-L1601 HydrophobicContact CD1-CD2 4.37Å |
| 1543 | V | 80.4 | Confident | 70.3 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 131.1 | -174.7 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | W1534 E1535 T1537 T1548 L1560 V1561 V1562 | W1534-V1543 CarbonylContact C-O 3.51Å; W1534-V1543 VanDerWaalsContact CA-O 3.25Å; W1534-V1543 WeakPolarHBondContact CA-O 2.85Å; E1535-V1543 PolarHBondContact N-O 3.12Å; E1535-V1543 PolarHBondContact O-N 2.82Å; T1537-V1543 HydrophobicContact CG2-CG2 3.58Å; V1543-T1548 HydrophobicContact CG1-CG2 4.31Å; V1543-T1548 VanDerWaalsContact CG1-OG1 3.27Å; V1543-T1548 WeakPolarHBondContact CG1-OG1 3.38Å; V1543-L1560 HydrophobicContact CG1-CD2 4.27Å; V1543-L1560 HydrophobicContact CG2-CB 4.43Å; V1543-L1560 HydrophobicContact CG2-CD1 4.21Å; V1543-V1561 CarbonylContact C-O 3.6Å; V1543-V1561 VanDerWaalsContact CA-O 3.27Å; V1543-V1561 WeakPolarHBondContact CA-O 3.43Å; V1543-V1562 HydrophobicContact CG2-CG1 3.87Å |
| 1544 | N | 79.6 | Confident | 69.8 | Low | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 115.2 | 170.6 | -170.2 | -72.2 | 0 | 0 | 0 | 109.8 | N1531 W1534 G1546 Q1547 T1548 V1561 | N1531-N1544 PolarHBondContact O-ND2 2.95Å; W1534-N1544 HydrophobicContact CE3-CB 4.14Å; W1534-N1544 HydrophobicContact CH2-CB 4.11Å; W1534-N1544 WeakPolarHBondContact CZ2-ND2 3.39Å; W1534-N1544 HydrophobicContact CZ3-CB 3.86Å; N1544-G1546 PolarHBondContact OD1-N 3.23Å; N1544-Q1547 PolarHBondContact OD1-N 2.62Å; N1544-T1548 WeakPolarHBondContact O-CB 3.38Å; N1544-T1548 PolarHBondContact O-N 3Å; N1544-T1548 VanDerWaalsContact O-N 3.08Å; N1544-T1548 PolarHBondContact O-OG1 3.41Å; N1544-V1561 HydrophobicContact CB-CG1 4.34Å; N1544-V1561 PolarHBondContact N-O 2.99Å |
| 1545 | V | 70.9 | Confident | 68.9 | Low | 27 Ų | 27 | 55 Ų | 55 | 16% | 0.164 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.7 | -49.7 | -172.7 | 177.5 | 0 | 0 | 0 | 0 | 111 | Q1466 L1533 E1535 H1549 | Q1466-V1545 HydrophobicContact CG-CG2 4.14Å; L1533-V1545 HydrophobicContact CB-CB 3.99Å; L1533-V1545 HydrophobicContact CB-CG2 4.03Å; L1533-V1545 WeakPolarHBondContact O-CB 3.44Å; L1533-V1545 WeakPolarHBondContact O-CG2 3.47Å; L1533-V1545 PolarHBondContact O-N 2.94Å; E1535-V1545 HydrophobicContact CB-CG2 4.06Å; V1545-H1549 WeakPolarHBondContact O-CB 3.14Å; V1545-H1549 PolarHBondContact O-N 3.22Å |
| 1546 | G | 65.5 | Low | 67.8 | Low | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.9 | -51.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1530 N1531 N1544 T1548 H1549 V1550 | A1530-G1546 WeakPolarHBondContact O-CA 3.28Å; A1530-G1546 PolarHBondContact O-N 3.49Å; N1531-G1546 VanDerWaalsContact OD1-CA 3.26Å; N1531-G1546 WeakPolarHBondContact OD1-CA 3.22Å; N1544-G1546 PolarHBondContact OD1-N 3.23Å; G1546-T1548 PolarHBondContact O-N 3.24Å; G1546-H1549 WeakPolarHBondContact O-CB 3.06Å; G1546-H1549 PolarHBondContact O-N 3.42Å; G1546-V1550 WeakPolarHBondContact O-CG2 3.4Å; G1546-V1550 PolarHBondContact O-N 3.08Å |
| 1547 | Q | 67.8 | Low | 67 | Low | 37 Ų | 37 | 58.1 Ų | 58.1 | 17% | 0.173 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70 | -35.2 | -178.6 | -106.4 | -156.9 | -8.7 | 0 | 0 | 113.5 | Y1522 N1531 N1544 H1549 V1550 L1551 V1561 | Y1522-Q1547 WeakPolarHBondContact OH-CB 3.14Å; Y1522-Q1547 WeakPolarHBondContact OH-CG 3.4Å; Y1522-Q1547 PolarHBondContact OH-OE1 2.79Å; N1531-Q1547 PolarHBondContact OD1-N 2.8Å; N1544-Q1547 PolarHBondContact OD1-N 2.62Å; Q1547-H1549 PolarHBondContact O-N 2.86Å; Q1547-V1550 PolarHBondContact O-N 2.97Å; Q1547-L1551 WeakPolarHBondContact O-CB 3.33Å; Q1547-L1551 PolarHBondContact O-N 3Å; Q1547-V1561 HydrophobicContact CB-CB 4.19Å; Q1547-V1561 HydrophobicContact CB-CG1 4.12Å; Q1547-V1561 HydrophobicContact CB-CG2 4.14Å |
| 1548 | T | 71.5 | Confident | 66.5 | Low | 10 Ų | 10 | 62.5 Ų | 62.5 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 174.1 | -54.6 | 0 | 0 | 0 | 0 | 110.6 | V1543 N1544 G1546 L1551 R1552 L1560 V1561 | V1543-T1548 HydrophobicContact CG1-CG2 4.31Å; V1543-T1548 VanDerWaalsContact CG1-OG1 3.27Å; V1543-T1548 WeakPolarHBondContact CG1-OG1 3.38Å; N1544-T1548 WeakPolarHBondContact O-CB 3.38Å; N1544-T1548 PolarHBondContact O-N 3Å; N1544-T1548 VanDerWaalsContact O-N 3.08Å; N1544-T1548 PolarHBondContact O-OG1 3.41Å; G1546-T1548 PolarHBondContact O-N 3.24Å; T1548-L1551 PolarHBondContact O-N 3.09Å; T1548-R1552 WeakPolarHBondContact O-CB 3.49Å; T1548-R1552 WeakPolarHBondContact O-CG 3.38Å; T1548-R1552 PolarHBondContact O-N 2.87Å; T1548-L1560 HydrophobicContact CG2-CD2 3.68Å; T1548-V1561 PolarHBondContact OG1-N 3.12Å; T1548-V1561 VanDerWaalsContact OG1-N 3.17Å |
| 1549 | H | 67.5 | Low | 66.7 | Low | 118 Ų | 118 | 59 Ų | 59 | 55% | 0.546 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 173.7 | -163 | -88.5 | 0 | 0 | 0 | 112.3 | V1545 G1546 Q1547 R1552 N1553 | V1545-H1549 WeakPolarHBondContact O-CB 3.14Å; V1545-H1549 PolarHBondContact O-N 3.22Å; G1546-H1549 WeakPolarHBondContact O-CB 3.06Å; G1546-H1549 PolarHBondContact O-N 3.42Å; Q1547-H1549 PolarHBondContact O-N 2.86Å; H1549-R1552 PolarHBondContact O-N 2.82Å; H1549-N1553 WeakPolarHBondContact O-CB 3.49Å; H1549-N1553 PolarHBondContact O-N 3.21Å |
| 1550 | V | 66.1 | Low | 67.1 | Low | 80 Ų | 80 | 55.8 Ų | 55.8 | 49% | 0.485 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 174.4 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | G1546 Q1547 N1553 S1554 | G1546-V1550 WeakPolarHBondContact O-CG2 3.4Å; G1546-V1550 PolarHBondContact O-N 3.08Å; Q1547-V1550 PolarHBondContact O-N 2.97Å; V1550-N1553 PolarHBondContact O-N 2.89Å; V1550-S1554 PolarHBondContact O-N 3.03Å; V1550-S1554 VanDerWaalsContact O-N 3.15Å |
| 1551 | L | 64.4 | Low | 67.4 | Low | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 177.3 | -106.9 | 144.1 | 0 | 0 | 0 | 112.4 | L1514 Q1547 T1548 N1553 S1554 V1561 | L1514-L1551 HydrophobicContact CD1-CD1 4.27Å; Q1547-L1551 WeakPolarHBondContact O-CB 3.33Å; Q1547-L1551 PolarHBondContact O-N 3Å; T1548-L1551 PolarHBondContact O-N 3.09Å; L1551-N1553 VanDerWaalsContact C-N 3.28Å; L1551-N1553 PolarHBondContact O-N 3.47Å; L1551-S1554 PolarHBondContact O-N 3.09Å; L1551-S1554 PolarHBondContact O-OG 2.62Å; L1551-V1561 HydrophobicContact CD1-CG2 3.14Å; L1551-V1561 HydrophobicContact CG-CG2 4.48Å |
| 1552 | R | 63.8 | Low | 67.4 | Low | 142 Ų | 142 | 53.9 Ų | 53.9 | 54% | 0.536 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.5 | -39.4 | 173.9 | -80.5 | -175.9 | 174.7 | -175.7 | 0.1 | 112.2 | T1548 H1549 S1554 G1555 | T1548-R1552 WeakPolarHBondContact O-CB 3.49Å; T1548-R1552 WeakPolarHBondContact O-CG 3.38Å; T1548-R1552 PolarHBondContact O-N 2.87Å; H1549-R1552 PolarHBondContact O-N 2.82Å; R1552-S1554 VanDerWaalsContact C-N 3.26Å; R1552-S1554 PolarHBondContact O-N 3.19Å; R1552-G1555 PolarHBondContact O-N 3.12Å |
| 1553 | N | 60.6 | Low | 67.4 | Low | 125 Ų | 125 | 53.8 Ų | 53.8 | 67% | 0.668 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -69.4 | -21.2 | 176.2 | -79.1 | -4.5 | 0 | 0 | 0 | 113.4 | H1549 V1550 L1551 G1555 | H1549-N1553 WeakPolarHBondContact O-CB 3.49Å; H1549-N1553 PolarHBondContact O-N 3.21Å; V1550-N1553 PolarHBondContact O-N 2.89Å; L1551-N1553 VanDerWaalsContact C-N 3.28Å; L1551-N1553 PolarHBondContact O-N 3.47Å; N1553-G1555 PolarHBondContact O-N 3.02Å |
| 1554 | S | 58.4 | Low | 67.4 | Low | 71 Ų | 71 | 53.4 Ų | 53.4 | 50% | 0.497 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 3.8 | 176.3 | 72.3 | 0 | 0 | 0 | 0 | 114.7 | V1550 L1551 R1552 I1556 | V1550-S1554 PolarHBondContact O-N 3.03Å; V1550-S1554 VanDerWaalsContact O-N 3.15Å; L1551-S1554 PolarHBondContact O-N 3.09Å; L1551-S1554 PolarHBondContact O-OG 2.62Å; R1552-S1554 VanDerWaalsContact C-N 3.26Å; R1552-S1554 PolarHBondContact O-N 3.19Å; S1554-I1556 VanDerWaalsContact C-N 3.33Å; S1554-I1556 PolarHBondContact O-N 2.91Å |
| 1555 | G | 54.6 | Low | 67.1 | Low | 70 Ų | 70 | 53.7 Ų | 53.7 | 72% | 0.722 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 3.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1552 N1553 | R1552-G1555 PolarHBondContact O-N 3.12Å; N1553-G1555 PolarHBondContact O-N 3.02Å |
| 1556 | I | 50.6 | Low | 66.9 | Low | 81 Ų | 81 | 53.1 Ų | 53.1 | 42% | 0.415 | 30% | 0.301 | S | S | . | . | trans | -91.1 | 126.2 | 176.7 | -57.5 | 169.4 | 0 | 0 | 0 | 108.6 | S1554 | S1554-I1556 VanDerWaalsContact C-N 3.33Å; S1554-I1556 PolarHBondContact O-N 2.91Å | ||
| 1557 | S | 56.5 | Low | 66.6 | Low | 102 Ų | 102 | 59.7 Ų | 59.7 | 71% | 0.713 | 33% | 0.325 | S | S | * | . | trans | -70.3 | 137.7 | -171.4 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | D1559 | S1557-D1559 PolarHBondContact O-N 2.79Š| ||
| 1558 | N | 59.1 | Low | 65.8 | Low | 133 Ų | 133 | 66.7 Ų | 66.7 | 71% | 0.711 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 48.4 | 3.5 | 164.7 | -88.3 | -0.6 | 0 | 0 | 0 | 121 | L1560 | N1558-L1560 PolarHBondContact O-N 3.21Å; N1558-L1560 VanDerWaalsContact O-N 3.14Å |
| 1559 | D | 67.2 | Low | 64.5 | Low | 57 Ų | 57 | 68.6 Ų | 68.6 | 31% | 0.305 | 37% | 0.371 | S | S | . | . | trans | -67.9 | 113 | 177.1 | -78.4 | -12.2 | 0 | 0 | 0 | 111.2 | S1557 R1581 | S1557-D1559 PolarHBondContact O-N 2.79Å; D1559-R1581 IonicContact OD2-NE 3.05Å | ||
| 1560 | L | 74.3 | Confident | 63.5 | Low | 49 Ų | 49 | 73.1 Ų | 73.1 | 26% | 0.257 | 39% | 0.39 | S | S | . | . | trans | -82.9 | 141.9 | 171.6 | -63.6 | 174.8 | 0 | 0 | 0 | 109.6 | V1543 T1548 N1558 V1562 R1581 A1582 | V1543-L1560 HydrophobicContact CG1-CD2 4.27Å; V1543-L1560 HydrophobicContact CG2-CB 4.43Å; V1543-L1560 HydrophobicContact CG2-CD1 4.21Å; T1548-L1560 HydrophobicContact CG2-CD2 3.68Å; N1558-L1560 PolarHBondContact O-N 3.21Å; N1558-L1560 VanDerWaalsContact O-N 3.14Å; L1560-V1562 HydrophobicContact CB-CG1 4.28Å; L1560-R1581 CarbonylContact O-C 3.54Å; L1560-R1581 WeakPolarHBondContact O-CA 3.31Å; L1560-A1582 HydrophobicContact CB-CB 3.96Å; L1560-A1582 PolarHBondContact O-N 2.93Å | ||
| 1561 | V | 75.7 | Confident | 62.6 | Low | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.7 | 170 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | V1543 N1544 Q1547 T1548 L1551 V1579 R1580 | V1543-V1561 CarbonylContact C-O 3.6Å; V1543-V1561 VanDerWaalsContact CA-O 3.27Å; V1543-V1561 WeakPolarHBondContact CA-O 3.43Å; N1544-V1561 HydrophobicContact CB-CG1 4.34Å; N1544-V1561 PolarHBondContact N-O 2.99Å; Q1547-V1561 HydrophobicContact CB-CB 4.19Å; Q1547-V1561 HydrophobicContact CB-CG1 4.12Å; Q1547-V1561 HydrophobicContact CB-CG2 4.14Å; T1548-V1561 PolarHBondContact OG1-N 3.12Å; T1548-V1561 VanDerWaalsContact OG1-N 3.17Å; L1551-V1561 HydrophobicContact CD1-CG2 3.14Å; L1551-V1561 HydrophobicContact CG-CG2 4.48Å; V1561-V1579 HydrophobicContact CG1-CG1 3.15Å; V1561-R1580 CarbonylContact C-O 3.56Å |
| 1562 | V | 82 | Confident | 61.7 | Low | 0 Ų | 0 | 85.2 Ų | 85.2 | 0% | 0 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 156.9 | -173 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | L1541 L1542 V1543 L1560 R1580 A1582 Q1590 | L1541-V1562 HydrophobicContact CB-CB 4.49Å; L1541-V1562 HydrophobicContact CB-CG1 3.81Å; L1541-V1562 HydrophobicContact CD1-CG1 4.38Å; L1541-V1562 HydrophobicContact CD2-CG1 4.46Å; L1541-V1562 HydrophobicContact CG-CG1 4.45Å; L1542-V1562 CarbonylContact O-C 3.32Å; L1542-V1562 WeakPolarHBondContact O-CA 3.27Å; V1543-V1562 HydrophobicContact CG2-CG1 3.87Å; L1560-V1562 HydrophobicContact CB-CG1 4.28Å; V1562-R1580 PolarHBondContact N-O 3.04Å; V1562-R1580 PolarHBondContact O-N 2.86Å; V1562-R1580 VanDerWaalsContact O-O 3.06Å; V1562-A1582 HydrophobicContact CG1-CB 3.89Å; V1562-A1582 HydrophobicContact CG2-CB 3.89Å; V1562-Q1590 HydrophobicContact CG2-CB 4.22Å; V1562-Q1590 HydrophobicContact CG2-CG 4.02Å |
| 1563 | L | 79.7 | Confident | 61 | Low | 1 Ų | 1 | 81.6 Ų | 81.6 | 1% | 0.005 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 133.4 | 167.9 | -166.9 | 68.7 | 0 | 0 | 0 | 109.9 | L1519 W1534 L1542 L1577 W1592 L1601 | L1519-L1563 HydrophobicContact CD1-CD1 3.61Å; W1534-L1563 HydrophobicContact CH2-CB 4.45Å; W1534-L1563 HydrophobicContact CH2-CD1 3.99Å; W1534-L1563 HydrophobicContact CZ3-CB 3.94Å; W1534-L1563 HydrophobicContact CZ3-CD1 4.32Å; L1542-L1563 HydrophobicContact CB-CB 3.92Å; L1542-L1563 HydrophobicContact CB-CD2 4.5Å; L1542-L1563 HydrophobicContact CD1-CD2 3.74Å; L1542-L1563 PolarHBondContact O-N 3.4Å; L1563-L1577 HydrophobicContact CD1-CD2 3.83Å; L1563-L1577 HydrophobicContact CD2-CD2 3.74Å; L1563-L1577 HydrophobicContact CG-CD2 3.8Å; L1563-W1592 HydrophobicContact CD2-CD2 4.07Å; L1563-W1592 HydrophobicContact CD2-CG 4.45Å; L1563-W1592 HydrophobicContact CD2-CH2 4.47Å; L1563-W1592 HydrophobicContact CD2-CZ2 4.01Å; L1563-W1592 HydrophobicContact CG-CZ2 3.84Å; L1563-W1592 PolarHBondContact O-NE1 3.13Å; L1563-L1601 HydrophobicContact CD2-CD2 3.85Å |
| 1564 | D | 78.9 | Confident | 60.7 | Low | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 175.6 | -175.6 | -162.6 | -2.2 | 0 | 0 | 0 | 110.4 | C1578 R1580 R1586 T1589 Q1590 | D1564-C1578 CarbonylContact C-O 3.59Å; D1564-C1578 PolarHBondContact N-O 3.43Å; D1564-C1578 PolarHBondContact O-N 2.93Å; D1564-R1580 HydrophobicContact CB-CB 4.03Å; D1564-R1586 IonicContact OD1-NH1 3.51Å; D1564-R1586 PolarHBondContact OD1-NH1 3.32Å; D1564-R1586 IonicContact OD2-CZ 3.72Å; D1564-R1586 IonicContact OD2-NH1 3.57Å; D1564-R1586 PolarHBondContact OD2-NH1 3.48Å; D1564-T1589 VanDerWaalsContact OD1-CB 3.23Å; D1564-T1589 WeakPolarHBondContact OD1-CB 3.47Å; D1564-T1589 PolarHBondContact OD1-OG1 2.75Å; D1564-Q1590 HydrophobicContact CB-CG 3.8Å; D1564-Q1590 WeakPolarHBondContact OD1-CG 3.32Å; D1564-Q1590 WeakPolarHBondContact OD2-CG 3.27Å; D1564-Q1590 PolarHBondContact OD2-NE2 3.4Å |
| 1565 | I | 73.9 | Confident | 60.8 | Low | 6 Ų | 6 | 77.1 Ų | 77.1 | 3% | 0.031 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.7 | 178.3 | -57.7 | 167.8 | 0 | 0 | 0 | 109 | P1575 R1586 W1592 L1603 L1624 | I1565-P1575 HydrophobicContact CG2-CB 3.45Å; I1565-P1575 VanDerWaalsContact CG2-CB 3.45Å; I1565-P1575 HydrophobicContact CG2-CG 3.9Å; I1565-R1586 PolarHBondContact O-NH1 3.5Å; I1565-W1592 HydrophobicContact CD1-CH2 3.84Å; I1565-W1592 HydrophobicContact CD1-CZ2 4.25Å; I1565-W1592 HydrophobicContact CG1-CH2 3.54Å; I1565-W1592 HydrophobicContact CG1-CZ2 3.74Å; I1565-L1603 HydrophobicContact CD1-CB 4.39Å; I1565-L1603 HydrophobicContact CD1-CD1 3.69Å; I1565-L1603 HydrophobicContact CD1-CD2 3.42Å; I1565-L1603 VanDerWaalsContact CD1-CD2 3.42Å; I1565-L1603 HydrophobicContact CD1-CG 4.01Å; I1565-L1624 HydrophobicContact CB-CD1 4.46Å; I1565-L1624 HydrophobicContact CD1-CD1 3.34Å; I1565-L1624 HydrophobicContact CD1-CD2 4.05Å; I1565-L1624 HydrophobicContact CD1-CG 4.31Å; I1565-L1624 HydrophobicContact CG1-CD1 3.46Å; I1565-L1624 VanDerWaalsContact CG1-CD1 3.46Å; I1565-L1624 HydrophobicContact CG2-CD1 4.17Å |
| 1566 | D | 66.4 | Low | 61.2 | Low | 15 Ų | 15 | 76.4 Ų | 76.4 | 8% | 0.08 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 115.6 | 171.6 | -152 | 6.8 | 0 | 0 | 0 | 111.8 | S1516 P1575 F1576 R1580 | S1516-D1566 WeakPolarHBondContact CB-OD2 3.28Å; S1516-D1566 WeakPolarHBondContact OG-CB 3.38Å; S1516-D1566 PolarHBondContact OG-OD2 3.11Å; D1566-P1575 VanDerWaalsContact O-CB 3.29Å; D1566-P1575 WeakPolarHBondContact O-CB 3.26Å; D1566-F1576 HydrophobicContact CB-CD2 3.94Å; D1566-F1576 HydrophobicContact CB-CE1 4.12Å; D1566-F1576 HydrophobicContact CB-CE2 3.43Å; D1566-F1576 VanDerWaalsContact CB-CE2 3.43Å; D1566-F1576 HydrophobicContact CB-CG 4.49Å; D1566-F1576 HydrophobicContact CB-CZ 3.53Å; D1566-F1576 PolarHBondContact N-O 3.21Å; D1566-F1576 VanDerWaalsContact N-O 3.08Å; D1566-F1576 WeakPolarHBondContact OD2-CZ 3.41Å; D1566-R1580 VanDerWaalsContact CG-NH2 3.35Å; D1566-R1580 IonicContact OD1-CZ 4Å; D1566-R1580 IonicContact OD1-NH2 2.96Å; D1566-R1580 PolarHBondContact OD1-NH2 2.86Å; D1566-R1580 IonicContact OD2-NH2 3.76Å |
| 1567 | R | 60.5 | Low | 62.1 | Low | 141 Ų | 141 | 72.6 Ų | 72.6 | 53% | 0.532 | 37% | 0.37 | S | S | . | . | trans | -92.2 | 3.8 | 178.5 | -75.2 | -171.5 | 178.8 | 168.1 | 3.2 | 113.4 | A1569 | R1567-A1569 VanDerWaalsContact C-N 3.3Å; R1567-A1569 PolarHBondContact O-N 3.12Å; R1567-A1569 VanDerWaalsContact O-N 3.14Å | ||
| 1568 | K | 50.2 | Low | 62.7 | Low | 184 Ų | 184 | 67.8 Ų | 67.8 | 80% | 0.8 | 34% | 0.336 | S | S | * | . | trans | -74.4 | 2 | -164 | -88.3 | -169.1 | 177.5 | 179.5 | 0 | 117.4 | K1570 | K1568-K1570 PolarHBondContact O-N 3.07Š| ||
| 1569 | A | 44.7 | Very low | 63.4 | Low | 50 Ų | 50 | 61.4 Ų | 61.4 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | trans | -87.5 | 108.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R1567 D1571 | R1567-A1569 VanDerWaalsContact C-N 3.3Å; R1567-A1569 PolarHBondContact O-N 3.12Å; R1567-A1569 VanDerWaalsContact O-N 3.14Å; A1569-D1571 PolarHBondContact O-N 2.69Å | ||
| 1570 | K | 46.9 | Very low | 63.8 | Low | 213 Ų | 213 | 60.5 Ų | 60.5 | 93% | 0.926 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -68.2 | -13.8 | 168.4 | -85.2 | -176.7 | 174.1 | 179.4 | 0 | 112.8 | K1568 | K1568-K1570 PolarHBondContact O-N 3.07Š|
| 1571 | D | 45.8 | Very low | 64 | Low | 139 Ų | 139 | 61.1 Ų | 61.1 | 74% | 0.743 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -91.3 | 159.3 | 172.1 | -67.3 | -42.7 | 0 | 0 | 0 | 110 | A1569 S1573 | A1569-D1571 PolarHBondContact O-N 2.69Å; D1571-S1573 PolarHBondContact O-N 3.29Å |
| 1572 | Q | 45 | Very low | 63.9 | Low | 210 Ų | 210 | 62.5 Ų | 62.5 | 98% | 0.981 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -60.5 | 36 | -172.9 | -61.4 | 172.8 | -15.6 | 0 | 0 | 115.5 | ||
| 1573 | S | 50.1 | Low | 63.6 | Low | 67 Ų | 67 | 67 Ų | 67 | 47% | 0.469 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 124.3 | 171.1 | 176.8 | 0 | 0 | 0 | 0 | 109.1 | D1571 | D1571-S1573 PolarHBondContact O-N 3.29Š|
| 1574 | E | 54.2 | Low | 63.2 | Low | 61 Ų | 61 | 75.9 Ų | 75.9 | 29% | 0.285 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 142.7 | 166.1 | -65.1 | -169.5 | 153.2 | 0 | 0 | 109.9 | F1623 M1632 | E1574-F1623 HydrophobicContact CB-CB 4.31Å; E1574-M1632 WeakPolarHBondContact OE2-CE 3.27Å |
| 1575 | P | 61.1 | Low | 63 | Low | 41 Ų | 41 | 80.8 Ų | 80.8 | 27% | 0.266 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 138.9 | -171.7 | 33.4 | -36.9 | 0 | 0 | 0 | 111.5 | I1565 D1566 F1623 L1624 | I1565-P1575 HydrophobicContact CG2-CB 3.45Å; I1565-P1575 VanDerWaalsContact CG2-CB 3.45Å; I1565-P1575 HydrophobicContact CG2-CG 3.9Å; D1566-P1575 VanDerWaalsContact O-CB 3.29Å; D1566-P1575 WeakPolarHBondContact O-CB 3.26Å; P1575-F1623 WeakPolarHBondContact O-CA 3.45Å; P1575-L1624 HydrophobicContact CG-CB 4.25Å; P1575-L1624 PolarHBondContact O-N 3.49Å |
| 1576 | F | 62.8 | Low | 63 | Low | 55 Ų | 55 | 82.7 Ų | 82.7 | 24% | 0.241 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 149.9 | -177.4 | 51.2 | -90 | 0 | 0 | 0 | 112.9 | S1516 D1566 C1578 F1623 | S1516-F1576 WeakPolarHBondContact OG-CE2 3.4Å; D1566-F1576 HydrophobicContact CB-CD2 3.94Å; D1566-F1576 HydrophobicContact CB-CE1 4.12Å; D1566-F1576 HydrophobicContact CB-CE2 3.43Å; D1566-F1576 VanDerWaalsContact CB-CE2 3.43Å; D1566-F1576 HydrophobicContact CB-CG 4.49Å; D1566-F1576 HydrophobicContact CB-CZ 3.53Å; D1566-F1576 PolarHBondContact N-O 3.21Å; D1566-F1576 VanDerWaalsContact N-O 3.08Å; D1566-F1576 WeakPolarHBondContact OD2-CZ 3.41Å; F1576-C1578 HydrophobicContact CD2-CB 4.49Å; F1576-F1623 HydrophobicContact CB-CD1 3.9Å; F1576-F1623 HydrophobicContact CB-CE1 4.17Å |
| 1577 | L | 68.5 | Low | 63.3 | Low | 1 Ų | 1 | 84.7 Ų | 84.7 | 1% | 0.005 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 128.6 | 172.5 | -84.5 | 138.5 | 0 | 0 | 0 | 110.8 | L1519 L1563 W1592 V1613 V1622 L1624 | L1519-L1577 HydrophobicContact CB-CB 4.48Å; L1519-L1577 PolarHBondContact N-O 3.4Å; L1519-L1577 VanDerWaalsContact N-O 3.16Å; L1563-L1577 HydrophobicContact CD1-CD2 3.83Å; L1563-L1577 HydrophobicContact CD2-CD2 3.74Å; L1563-L1577 HydrophobicContact CG-CD2 3.8Å; L1577-W1592 HydrophobicContact CD2-CH2 3.27Å; L1577-W1592 HydrophobicContact CD2-CZ2 3.77Å; L1577-W1592 HydrophobicContact CD2-CZ3 3.92Å; L1577-W1592 HydrophobicContact CG-CH2 4.13Å; L1577-V1613 HydrophobicContact CD1-CG1 3.83Å; L1577-V1613 HydrophobicContact CD1-CG2 4.14Å; L1577-V1622 HydrophobicContact CD1-CB 3.88Å; L1577-V1622 HydrophobicContact CD1-CG1 3.56Å; L1577-V1622 PolarHBondContact N-O 2.87Å; L1577-L1624 HydrophobicContact CG-CD1 4.39Å |
| 1578 | C | 70.8 | Confident | 63.7 | Low | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 166.2 | 176.6 | 68 | 0 | 0 | 0 | 0 | 112.5 | S1516 L1517 D1564 F1576 | S1516-C1578 VanDerWaalsContact OG-CB 3.3Å; S1516-C1578 WeakPolarHBondContact OG-CB 3.15Å; S1516-C1578 PolarHBondContact OG-SG 3.23Å; L1517-C1578 WeakPolarHBondContact O-CA 3.25Å; L1517-C1578 WeakPolarHBondContact O-CB 3.39Å; D1564-C1578 CarbonylContact C-O 3.59Å; D1564-C1578 PolarHBondContact N-O 3.43Å; D1564-C1578 PolarHBondContact O-N 2.93Å; F1576-C1578 HydrophobicContact CD2-CB 4.49Å |
| 1579 | V | 72.1 | Confident | 64.9 | Low | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.9 | 174.8 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | L1517 L1519 Y1522 W1534 V1561 | L1517-V1579 PolarHBondContact O-N 3.23Å; L1519-V1579 HydrophobicContact CD1-CG2 3.74Å; Y1522-V1579 HydrophobicContact CD2-CB 4.38Å; Y1522-V1579 HydrophobicContact CD2-CG2 3.93Å; Y1522-V1579 HydrophobicContact CE2-CB 3.73Å; Y1522-V1579 HydrophobicContact CE2-CG1 4.05Å; Y1522-V1579 HydrophobicContact CE2-CG2 3.65Å; W1534-V1579 HydrophobicContact CH2-CG2 3.83Å; V1561-V1579 HydrophobicContact CG1-CG1 3.15Å |
| 1580 | R | 77.1 | Confident | 66.6 | Low | 37 Ų | 37 | 71.8 Ų | 71.8 | 14% | 0.14 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 163 | -174.5 | -163.7 | 171.3 | -67.4 | -178.7 | 4.8 | 111.6 | S1516 V1561 V1562 D1564 D1566 | S1516-R1580 VanDerWaalsContact CB-NH2 3.34Å; S1516-R1580 PolarHBondContact OG-NH2 3.09Å; V1561-R1580 CarbonylContact C-O 3.56Å; V1562-R1580 PolarHBondContact N-O 3.04Å; V1562-R1580 PolarHBondContact O-N 2.86Å; V1562-R1580 VanDerWaalsContact O-O 3.06Å; D1564-R1580 HydrophobicContact CB-CB 4.03Å; D1566-R1580 VanDerWaalsContact CG-NH2 3.35Å; D1566-R1580 IonicContact OD1-CZ 4Å; D1566-R1580 IonicContact OD1-NH2 2.96Å; D1566-R1580 PolarHBondContact OD1-NH2 2.86Å; D1566-R1580 IonicContact OD2-NH2 3.76Å |
| 1581 | R | 76.8 | Confident | 68 | Low | 63 Ų | 63 | 62.6 Ų | 62.6 | 24% | 0.238 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 142.9 | 168.9 | -69.1 | -174 | -176.4 | 140.5 | 5.6 | 110.8 | G1512 L1514 D1559 L1560 E1583 Q1590 | G1512-R1581 PolarHBondContact O-NH1 3.33Å; G1512-R1581 PolarHBondContact O-NH2 2.91Å; L1514-R1581 HydrophobicContact CD1-CG 4.4Å; D1559-R1581 IonicContact OD2-NE 3.05Å; L1560-R1581 CarbonylContact O-C 3.54Å; L1560-R1581 WeakPolarHBondContact O-CA 3.31Å; R1581-E1583 PolarHBondContact O-N 2.82Å; R1581-Q1590 PolarHBondContact O-NE2 3.32Å |
| 1582 | A | 75.4 | Confident | 69.5 | Low | 29 Ų | 29 | 56.5 Ų | 56.5 | 24% | 0.24 | 29% | 0.292 | C | S | . | . | trans | -66.7 | 124.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L1560 V1562 | L1560-A1582 HydrophobicContact CB-CB 3.96Å; L1560-A1582 PolarHBondContact O-N 2.93Å; V1562-A1582 HydrophobicContact CG1-CB 3.89Å; V1562-A1582 HydrophobicContact CG2-CB 3.89Å | ||
| 1583 | E | 75.8 | Confident | 70.7 | Confident | 95 Ų | 95 | 51.5 Ų | 51.5 | 44% | 0.444 | 27% | 0.27 | S | S | . | . | trans | -132.4 | 129.1 | -179.2 | -83 | 179.3 | 178.5 | 0 | 0 | 110.2 | R1581 S1585 R1586 Q1590 | R1581-E1583 PolarHBondContact O-N 2.82Å; E1583-S1585 PolarHBondContact O-N 2.88Å; E1583-R1586 HydrophobicContact CB-CB 4.34Å; E1583-R1586 HydrophobicContact CB-CG 4.24Å; E1583-R1586 PolarHBondContact O-N 3.49Å; E1583-Q1590 PolarHBondContact O-OE1 3.05Å | ||
| 1584 | H | 71.1 | Confident | 71.7 | Confident | 186 Ų | 186 | 50.5 Ų | 50.5 | 86% | 0.861 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -62 | -30.5 | -179.5 | -132.7 | 71.7 | 0 | 0 | 0 | 112.8 | R1586 S1587 | H1584-R1586 PolarHBondContact O-N 3.25Å; H1584-S1587 PolarHBondContact O-N 3.34Å; H1584-S1587 PolarHBondContact O-OG 3.2Å |
| 1585 | S | 74.2 | Confident | 72.1 | Confident | 103 Ų | 103 | 48.7 Ų | 48.7 | 72% | 0.72 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -66.8 | -16.3 | 175.1 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | E1583 | E1583-S1585 PolarHBondContact O-N 2.88Š|
| 1586 | R | 74.2 | Confident | 71.9 | Confident | 46 Ų | 46 | 52.5 Ų | 52.5 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -112.8 | 17.9 | -178.4 | -61.4 | -165.1 | 121.1 | -121.2 | -8.1 | 113.6 | D1564 I1565 E1583 H1584 E1588 T1589 Q1590 | D1564-R1586 IonicContact OD1-NH1 3.51Å; D1564-R1586 PolarHBondContact OD1-NH1 3.32Å; D1564-R1586 IonicContact OD2-CZ 3.72Å; D1564-R1586 IonicContact OD2-NH1 3.57Å; D1564-R1586 PolarHBondContact OD2-NH1 3.48Å; I1565-R1586 PolarHBondContact O-NH1 3.5Å; E1583-R1586 HydrophobicContact CB-CB 4.34Å; E1583-R1586 HydrophobicContact CB-CG 4.24Å; E1583-R1586 PolarHBondContact O-N 3.49Å; H1584-R1586 PolarHBondContact O-N 3.25Å; R1586-E1588 PolarHBondContact O-N 3.4Å; R1586-E1588 VanDerWaalsContact O-N 3.08Å; R1586-T1589 PolarHBondContact O-N 3.02Å; R1586-T1589 PolarHBondContact O-OG1 3.24Å; R1586-Q1590 HydrophobicContact CB-CG 4.07Å; R1586-Q1590 PolarHBondContact O-N 3.02Å |
| 1587 | S | 71.2 | Confident | 71.5 | Confident | 58 Ų | 58 | 59.1 Ų | 59.1 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -52 | -32.4 | 175.4 | 46.7 | 0 | 0 | 0 | 0 | 113.4 | H1584 T1589 C1591 | H1584-S1587 PolarHBondContact O-N 3.34Å; H1584-S1587 PolarHBondContact O-OG 3.2Å; S1587-T1589 PolarHBondContact O-N 2.82Å; S1587-C1591 PolarHBondContact O-N 3.42Å; S1587-C1591 PolarHBondContact O-SG 2.94Å; S1587-C1591 VanDerWaalsContact O-SG 3.38Å |
| 1588 | E | 70.7 | Confident | 71 | Confident | 96 Ų | 96 | 63.1 Ų | 63.1 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.3 | -15.1 | 174.6 | -64.5 | -169 | 165.4 | 0 | 0 | 115 | R1586 L1603 | R1586-E1588 PolarHBondContact O-N 3.4Å; R1586-E1588 VanDerWaalsContact O-N 3.08Å; E1588-L1603 VanDerWaalsContact O-CD2 3.26Å; E1588-L1603 WeakPolarHBondContact O-CD2 3.33Å |
| 1589 | T | 73.9 | Confident | 70.6 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -121.1 | -10.7 | -179.2 | 63.4 | 0 | 0 | 0 | 0 | 114.6 | D1564 R1586 S1587 L1603 | D1564-T1589 VanDerWaalsContact OD1-CB 3.23Å; D1564-T1589 WeakPolarHBondContact OD1-CB 3.47Å; D1564-T1589 PolarHBondContact OD1-OG1 2.75Å; R1586-T1589 PolarHBondContact O-N 3.02Å; R1586-T1589 PolarHBondContact O-OG1 3.24Å; S1587-T1589 PolarHBondContact O-N 2.82Å; T1589-L1603 VanDerWaalsContact C-CD1 3.43Å; T1589-L1603 WeakPolarHBondContact O-CD1 3.45Å |
| 1590 | Q | 82 | Confident | 70.3 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -106.2 | -10.3 | -178.1 | -68 | -174.8 | -16.4 | 0 | 0 | 114.2 | L1541 V1562 D1564 R1581 E1583 R1586 W1592 | L1541-Q1590 HydrophobicContact CD2-CB 3.68Å; L1541-Q1590 WeakPolarHBondContact CD2-O 3.46Å; V1562-Q1590 HydrophobicContact CG2-CB 4.22Å; V1562-Q1590 HydrophobicContact CG2-CG 4.02Å; D1564-Q1590 HydrophobicContact CB-CG 3.8Å; D1564-Q1590 WeakPolarHBondContact OD1-CG 3.32Å; D1564-Q1590 WeakPolarHBondContact OD2-CG 3.27Å; D1564-Q1590 PolarHBondContact OD2-NE2 3.4Å; R1581-Q1590 PolarHBondContact O-NE2 3.32Å; E1583-Q1590 PolarHBondContact O-OE1 3.05Å; R1586-Q1590 HydrophobicContact CB-CG 4.07Å; R1586-Q1590 PolarHBondContact O-N 3.02Å; Q1590-W1592 PolarHBondContact O-NE1 3.21Å |
| 1591 | C | 74.9 | Confident | 69.8 | Low | 20 Ų | 20 | 65.2 Ų | 65.2 | 14% | 0.135 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -91.2 | 124.3 | 177.6 | -68.2 | 0 | 0 | 0 | 0 | 111.6 | D1539 G1540 S1587 L1603 V1604 | D1539-C1591 PolarHBondContact O-SG 3.33Å; G1540-C1591 CarbonylContact O-C 3.58Å; G1540-C1591 WeakPolarHBondContact O-CA 3.49Å; S1587-C1591 PolarHBondContact O-N 3.42Å; S1587-C1591 PolarHBondContact O-SG 2.94Å; S1587-C1591 VanDerWaalsContact O-SG 3.38Å; C1591-L1603 CarbonylContact O-C 3.6Å; C1591-L1603 WeakPolarHBondContact O-CA 3.22Å; C1591-L1603 WeakPolarHBondContact O-CD1 3.32Å; C1591-V1604 HydrophobicContact CB-CB 3.95Å; C1591-V1604 PolarHBondContact O-N 3.01Å |
| 1592 | W | 76.9 | Confident | 69.6 | Low | 11 Ų | 11 | 65 Ų | 65 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 154.2 | -174.3 | -55.6 | 89.4 | 0 | 0 | 0 | 112.3 | G1540 L1542 L1563 I1565 L1577 Q1590 L1601 R1602 L1603 L1624 | G1540-W1592 PolarHBondContact O-N 3.48Å; L1542-W1592 HydrophobicContact CD1-CB 3.61Å; L1542-W1592 HydrophobicContact CD1-CG 3.78Å; L1542-W1592 HydrophobicContact CG-CB 3.96Å; L1542-W1592 HydrophobicContact CG-CG 4.21Å; L1563-W1592 HydrophobicContact CD2-CD2 4.07Å; L1563-W1592 HydrophobicContact CD2-CG 4.45Å; L1563-W1592 HydrophobicContact CD2-CH2 4.47Å; L1563-W1592 HydrophobicContact CD2-CZ2 4.01Å; L1563-W1592 HydrophobicContact CG-CZ2 3.84Å; L1563-W1592 PolarHBondContact O-NE1 3.13Å; I1565-W1592 HydrophobicContact CD1-CH2 3.84Å; I1565-W1592 HydrophobicContact CD1-CZ2 4.25Å; I1565-W1592 HydrophobicContact CG1-CH2 3.54Å; I1565-W1592 HydrophobicContact CG1-CZ2 3.74Å; L1577-W1592 HydrophobicContact CD2-CH2 3.27Å; L1577-W1592 HydrophobicContact CD2-CZ2 3.77Å; L1577-W1592 HydrophobicContact CD2-CZ3 3.92Å; L1577-W1592 HydrophobicContact CG-CH2 4.13Å; Q1590-W1592 PolarHBondContact O-NE1 3.21Å; W1592-L1601 HydrophobicContact CB-CD1 4.08Å; W1592-L1601 HydrophobicContact CD2-CD2 4.29Å; W1592-L1601 HydrophobicContact CD2-CG 4.47Å; W1592-L1601 HydrophobicContact CE3-CD1 4.37Å; W1592-L1601 HydrophobicContact CE3-CD2 3.7Å; W1592-L1601 HydrophobicContact CE3-CG 3.7Å; W1592-L1601 HydrophobicContact CZ3-CD2 4Å; W1592-L1601 HydrophobicContact CZ3-CG 4.27Å; W1592-R1602 CarbonylContact C-O 3.52Å; W1592-R1602 VanDerWaalsContact CA-O 3.31Å; W1592-R1602 WeakPolarHBondContact CA-O 3.47Å; W1592-L1603 HydrophobicContact CD2-CD1 4.22Å; W1592-L1603 HydrophobicContact CE3-CB 4.47Å; W1592-L1603 HydrophobicContact CE3-CD1 4.3Å; W1592-L1603 HydrophobicContact CH2-CD1 4.41Å; W1592-L1603 HydrophobicContact CZ2-CD1 4.29Å; W1592-L1603 HydrophobicContact CZ3-CB 4.48Å; W1592-L1603 HydrophobicContact CZ3-CD1 4.41Å; W1592-L1624 HydrophobicContact CH2-CD1 3.96Å; W1592-L1624 HydrophobicContact CZ3-CD1 4.3Å |
| 1593 | M | 71.8 | Confident | 69.3 | Low | 105 Ų | 105 | 64.8 Ų | 64.8 | 52% | 0.517 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 127.1 | 177.1 | -176.6 | -177.7 | -65.3 | 0 | 0 | 109.7 | R1602 V1604 | M1593-R1602 PolarHBondContact N-O 3.04Å; M1593-R1602 PolarHBondContact O-N 3.43Å; M1593-V1604 HydrophobicContact CB-CG2 3.84Å; M1593-V1604 HydrophobicContact CE-CG2 4.1Å |
| 1594 | F | 69.4 | Low | 68.8 | Low | 47 Ų | 47 | 63.5 Ų | 63.5 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 132.7 | 170.4 | -71.9 | -84.5 | 0 | 0 | 0 | 110 | F1467 I1469 L1542 L1601 V1637 Q1639 | F1467-F1594 AromaticContact CE2-CE2 3.86Å; F1467-F1594 HydrophobicContact CE2-CE2 3.86Å; F1467-F1594 AromaticContact CE2-CZ 3.92Å; F1467-F1594 HydrophobicContact CE2-CZ 3.92Å; F1467-F1594 AromaticContact CZ-CE2 4Å; F1467-F1594 HydrophobicContact CZ-CE2 4Å; I1469-F1594 HydrophobicContact CD1-CZ 4.17Å; I1469-F1594 HydrophobicContact CG1-CZ 4.16Å; L1542-F1594 HydrophobicContact CD1-CE2 4.05Å; L1542-F1594 HydrophobicContact CD1-CZ 4.18Å; L1542-F1594 HydrophobicContact CD2-CE2 3.68Å; L1542-F1594 HydrophobicContact CD2-CZ 4.4Å; F1594-L1601 HydrophobicContact CD1-CD1 3.8Å; F1594-L1601 HydrophobicContact CD2-CD1 4.19Å; F1594-L1601 HydrophobicContact CE1-CD1 3.68Å; F1594-L1601 HydrophobicContact CE2-CD1 4.09Å; F1594-L1601 HydrophobicContact CG-CD1 4.05Å; F1594-L1601 HydrophobicContact CZ-CD1 3.82Å; F1594-V1637 HydrophobicContact CE1-CG1 4.01Å; F1594-Q1639 HydrophobicContact CE1-CB 4.39Å |
| 1595 | C | 63.4 | Low | 68.3 | Low | 22 Ų | 22 | 56 Ų | 56 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 100.8 | 171.2 | -71.7 | 0 | 0 | 0 | 0 | 109 | E1597 E1598 S1599 K1600 R1602 | C1595-E1597 PolarHBondContact O-N 3.32Å; C1595-E1598 HydrophobicContact CB-CB 4.43Å; C1595-E1598 PolarHBondContact O-N 2.97Å; C1595-S1599 PolarHBondContact O-N 3.4Å; C1595-K1600 PolarHBondContact N-O 3.02Å; C1595-K1600 PolarHBondContact O-N 3.1Å; C1595-R1602 VanDerWaalsContact SG-CD 3.57Å; C1595-R1602 PolarHBondContact SG-NH1 2.9Å |
| 1596 | T | 57 | Low | 67.3 | Low | 121 Ų | 121 | 56.1 Ų | 56.1 | 74% | 0.742 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -45 | -176.8 | 44.8 | 0 | 0 | 0 | 0 | 112.7 | E1598 S1599 | T1596-E1598 VanDerWaalsContact C-N 3.27Å; T1596-E1598 PolarHBondContact O-N 3.05Å; T1596-S1599 PolarHBondContact O-N 3.38Å |
| 1597 | E | 54.2 | Low | 66.1 | Low | 194 Ų | 194 | 61 Ų | 61 | 91% | 0.907 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -30.7 | -179.4 | -65.9 | -166.2 | 172.5 | 0 | 0 | 113.6 | C1595 | C1595-E1597 PolarHBondContact O-N 3.32Š|
| 1598 | E | 58.7 | Low | 64.7 | Low | 85 Ų | 85 | 65.7 Ų | 65.7 | 40% | 0.397 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -6.7 | -177.4 | -71.8 | -172.5 | -143.7 | 0 | 0 | 113.9 | C1595 T1596 K1600 R1602 | C1595-E1598 HydrophobicContact CB-CB 4.43Å; C1595-E1598 PolarHBondContact O-N 2.97Å; T1596-E1598 VanDerWaalsContact C-N 3.27Å; T1596-E1598 PolarHBondContact O-N 3.05Å; E1598-K1600 HydrophobicContact CB-CB 4.28Å; E1598-K1600 HydrophobicContact CB-CD 4.08Å; E1598-K1600 HydrophobicContact CB-CG 4.15Å; E1598-K1600 PolarHBondContact O-N 2.78Å; E1598-K1600 WeakPolarHBondContact OE2-CD 3.42Å; E1598-K1600 WeakPolarHBondContact OE2-CE 3.3Å; E1598-K1600 IonicContact OE2-NZ 3.36Å; E1598-K1600 PolarHBondContact OE2-NZ 3.25Å; E1598-R1602 IonicContact OE1-CZ 2.69Å; E1598-R1602 IonicContact OE1-NH2 3.05Å; E1598-R1602 PolarHBondContact OE1-NH2 3.35Å; E1598-R1602 IonicContact OE2-CZ 2.67Å; E1598-R1602 IonicContact OE2-NH2 3.81Å; E1598-R1602 PolarHBondContact OE2-NH2 3.44Å |
| 1599 | S | 62 | Low | 63.6 | Low | 29 Ų | 29 | 66.5 Ų | 66.5 | 20% | 0.203 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 44.2 | -170.1 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | C1595 T1596 M1636 V1637 | C1595-S1599 PolarHBondContact O-N 3.4Å; T1596-S1599 PolarHBondContact O-N 3.38Å; S1599-M1636 CarbonylContact O-C 3.59Å; S1599-M1636 WeakPolarHBondContact O-CA 3.5Å; S1599-V1637 PolarHBondContact O-N 2.78Å |
| 1600 | K | 65.6 | Low | 62.2 | Low | 53 Ų | 53 | 70 Ų | 70 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 144.8 | -178 | -73.4 | 177.6 | -165.2 | 163 | 0 | 111.7 | C1595 E1598 | C1595-K1600 PolarHBondContact N-O 3.02Å; C1595-K1600 PolarHBondContact O-N 3.1Å; E1598-K1600 HydrophobicContact CB-CB 4.28Å; E1598-K1600 HydrophobicContact CB-CD 4.08Å; E1598-K1600 HydrophobicContact CB-CG 4.15Å; E1598-K1600 PolarHBondContact O-N 2.78Å; E1598-K1600 WeakPolarHBondContact OE2-CD 3.42Å; E1598-K1600 WeakPolarHBondContact OE2-CE 3.3Å; E1598-K1600 IonicContact OE2-NZ 3.36Å; E1598-K1600 PolarHBondContact OE2-NZ 3.25Å |
| 1601 | L | 67.3 | Low | 60.8 | Low | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 126.4 | 167.1 | -175.1 | 69.1 | 0 | 0 | 0 | 109.2 | L1542 L1563 W1592 F1594 V1613 V1637 | L1542-L1601 HydrophobicContact CD1-CD1 3.92Å; L1542-L1601 HydrophobicContact CD1-CD2 4.37Å; L1563-L1601 HydrophobicContact CD2-CD2 3.85Å; W1592-L1601 HydrophobicContact CB-CD1 4.08Å; W1592-L1601 HydrophobicContact CD2-CD2 4.29Å; W1592-L1601 HydrophobicContact CD2-CG 4.47Å; W1592-L1601 HydrophobicContact CE3-CD1 4.37Å; W1592-L1601 HydrophobicContact CE3-CD2 3.7Å; W1592-L1601 HydrophobicContact CE3-CG 3.7Å; W1592-L1601 HydrophobicContact CZ3-CD2 4Å; W1592-L1601 HydrophobicContact CZ3-CG 4.27Å; F1594-L1601 HydrophobicContact CD1-CD1 3.8Å; F1594-L1601 HydrophobicContact CD2-CD1 4.19Å; F1594-L1601 HydrophobicContact CE1-CD1 3.68Å; F1594-L1601 HydrophobicContact CE2-CD1 4.09Å; F1594-L1601 HydrophobicContact CG-CD1 4.05Å; F1594-L1601 HydrophobicContact CZ-CD1 3.82Å; L1601-V1613 HydrophobicContact CB-CG2 3.93Å; L1601-V1613 HydrophobicContact CD2-CG2 4.44Å; L1601-V1637 HydrophobicContact CB-CB 4.15Å; L1601-V1637 HydrophobicContact CB-CG1 4.15Å; L1601-V1637 HydrophobicContact CB-CG2 4.02Å |
| 1602 | R | 71.6 | Confident | 59.9 | Low | 59 Ų | 59 | 70.6 Ų | 70.6 | 22% | 0.223 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 142 | -179.2 | -68.6 | -175.4 | 177.1 | 149.4 | -7.1 | 111.1 | W1592 M1593 C1595 E1598 V1610 | W1592-R1602 CarbonylContact C-O 3.52Å; W1592-R1602 VanDerWaalsContact CA-O 3.31Å; W1592-R1602 WeakPolarHBondContact CA-O 3.47Å; M1593-R1602 PolarHBondContact N-O 3.04Å; M1593-R1602 PolarHBondContact O-N 3.43Å; C1595-R1602 VanDerWaalsContact SG-CD 3.57Å; C1595-R1602 PolarHBondContact SG-NH1 2.9Å; E1598-R1602 IonicContact OE1-CZ 2.69Å; E1598-R1602 IonicContact OE1-NH2 3.05Å; E1598-R1602 PolarHBondContact OE1-NH2 3.35Å; E1598-R1602 IonicContact OE2-CZ 2.67Å; E1598-R1602 IonicContact OE2-NH2 3.81Å; E1598-R1602 PolarHBondContact OE2-NH2 3.44Å; R1602-V1610 HydrophobicContact CG-CG1 4.04Å |
| 1603 | L | 69.7 | Low | 59 | Low | 24 Ų | 24 | 70.2 Ų | 70.2 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 130.7 | 169.8 | -173.8 | 75.9 | 0 | 0 | 0 | 110.1 | I1565 E1588 T1589 C1591 W1592 S1605 L1624 | I1565-L1603 HydrophobicContact CD1-CB 4.39Å; I1565-L1603 HydrophobicContact CD1-CD1 3.69Å; I1565-L1603 HydrophobicContact CD1-CD2 3.42Å; I1565-L1603 VanDerWaalsContact CD1-CD2 3.42Å; I1565-L1603 HydrophobicContact CD1-CG 4.01Å; E1588-L1603 VanDerWaalsContact O-CD2 3.26Å; E1588-L1603 WeakPolarHBondContact O-CD2 3.33Å; T1589-L1603 VanDerWaalsContact C-CD1 3.43Å; T1589-L1603 WeakPolarHBondContact O-CD1 3.45Å; C1591-L1603 CarbonylContact O-C 3.6Å; C1591-L1603 WeakPolarHBondContact O-CA 3.22Å; C1591-L1603 WeakPolarHBondContact O-CD1 3.32Å; W1592-L1603 HydrophobicContact CD2-CD1 4.22Å; W1592-L1603 HydrophobicContact CE3-CB 4.47Å; W1592-L1603 HydrophobicContact CE3-CD1 4.3Å; W1592-L1603 HydrophobicContact CH2-CD1 4.41Å; W1592-L1603 HydrophobicContact CZ2-CD1 4.29Å; W1592-L1603 HydrophobicContact CZ3-CB 4.48Å; W1592-L1603 HydrophobicContact CZ3-CD1 4.41Å; L1603-S1605 PolarHBondContact O-N 3.22Å; L1603-S1605 VanDerWaalsContact O-N 3.13Å; L1603-L1624 HydrophobicContact CB-CD2 4.31Å |
| 1604 | V | 64.6 | Low | 58.2 | Low | 68 Ų | 68 | 65.5 Ų | 65.5 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | trans | -83 | 85.3 | 176.9 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | C1591 M1593 | C1591-V1604 HydrophobicContact CB-CB 3.95Å; C1591-V1604 PolarHBondContact O-N 3.01Å; M1593-V1604 HydrophobicContact CB-CG2 3.84Å; M1593-V1604 HydrophobicContact CE-CG2 4.1Å | ||
| 1605 | S | 60.6 | Low | 57.3 | Low | 29 Ų | 29 | 63.7 Ų | 63.7 | 20% | 0.203 | 35% | 0.346 | C | S | . | . | trans | -95.6 | 149.7 | 169.8 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | L1603 K1607 | L1603-S1605 PolarHBondContact O-N 3.22Å; L1603-S1605 VanDerWaalsContact O-N 3.13Å; S1605-K1607 WeakPolarHBondContact CB-O 3.32Å; S1605-K1607 PolarHBondContact O-N 3.37Å; S1605-K1607 PolarHBondContact OG-N 3.41Å | ||
| 1606 | S | 53.3 | Low | 56.6 | Low | 105 Ų | 105 | 68.3 Ų | 68.3 | 73% | 0.734 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -61.2 | -20.9 | 172.1 | 59.7 | 0 | 0 | 0 | 0 | 113 | ||
| 1607 | K | 49.1 | Very low | 56.1 | Low | 147 Ų | 147 | 69.5 Ų | 69.5 | 64% | 0.639 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -96 | 125.4 | 168.7 | -62.9 | -179.5 | -179 | 177.5 | 0 | 106.9 | S1605 D1609 | S1605-K1607 WeakPolarHBondContact CB-O 3.32Å; S1605-K1607 PolarHBondContact O-N 3.37Å; S1605-K1607 PolarHBondContact OG-N 3.41Å; K1607-D1609 PolarHBondContact O-N 3.31Å |
| 1608 | N | 42.8 | Very low | 55.6 | Low | 157 Ų | 157 | 64.7 Ų | 64.7 | 84% | 0.84 | 34% | 0.339 | S | S | * | . | trans | -59.8 | 26.9 | 177.5 | -87.4 | -6.3 | 0 | 0 | 0 | 115 | V1610 | N1608-V1610 PolarHBondContact O-N 2.61Š| ||
| 1609 | D | 46.3 | Very low | 54.8 | Low | 113 Ų | 113 | 64.9 Ų | 64.9 | 60% | 0.604 | 34% | 0.342 | S | S | * | . | trans | -74 | 94.3 | 174.2 | -74.4 | -24.6 | 0 | 0 | 0 | 108.6 | K1607 A1611 | K1607-D1609 PolarHBondContact O-N 3.31Å; D1609-A1611 VanDerWaalsContact C-N 3.31Å; D1609-A1611 PolarHBondContact O-N 3.15Å | ||
| 1610 | V | 45.6 | Very low | 54 | Low | 78 Ų | 78 | 64.4 Ų | 64.4 | 47% | 0.473 | 34% | 0.339 | S | S | . | . | trans | -70.1 | 88 | 173.6 | -178.4 | 0 | 0 | 0 | 0 | 108 | R1602 N1608 | R1602-V1610 HydrophobicContact CG-CG1 4.04Å; N1608-V1610 PolarHBondContact O-N 2.61Å | ||
| 1611 | A | 52.7 | Low | 53.3 | Low | 17 Ų | 17 | 64.3 Ų | 64.3 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 119.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | D1609 L1624 G1625 | D1609-A1611 VanDerWaalsContact C-N 3.31Å; D1609-A1611 PolarHBondContact O-N 3.15Å; A1611-L1624 HydrophobicContact CB-CB 4.02Å; A1611-L1624 HydrophobicContact CB-CD2 3.34Å; A1611-L1624 HydrophobicContact CB-CG 4.24Å; A1611-G1625 WeakPolarHBondContact CA-O 3.47Å |
| 1612 | S | 54.7 | Low | 52.8 | Low | 19 Ų | 19 | 65.1 Ų | 65.1 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 147.6 | 174.5 | 58.9 | 0 | 0 | 0 | 0 | 110.1 | C1614 G1625 | S1612-C1614 PolarHBondContact O-N 3.4Å; S1612-C1614 PolarHBondContact O-SG 2.89Å; S1612-C1614 VanDerWaalsContact O-SG 3.37Å; S1612-G1625 PolarHBondContact N-O 3.21Å; S1612-G1625 PolarHBondContact O-N 2.79Å |
| 1613 | V | 59 | Low | 52.2 | Low | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 118.7 | 175.7 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | F1471 L1577 L1601 V1622 F1623 V1635 V1637 | F1471-V1613 HydrophobicContact CD1-CG1 4.39Å; F1471-V1613 HydrophobicContact CE1-CG1 4.12Å; L1577-V1613 HydrophobicContact CD1-CG1 3.83Å; L1577-V1613 HydrophobicContact CD1-CG2 4.14Å; L1601-V1613 HydrophobicContact CB-CG2 3.93Å; L1601-V1613 HydrophobicContact CD2-CG2 4.44Å; V1613-V1622 HydrophobicContact CB-CG1 4.45Å; V1613-V1622 HydrophobicContact CG1-CB 4.45Å; V1613-V1622 HydrophobicContact CG1-CG1 3Å; V1613-F1623 CarbonylContact C-O 3.59Å; V1613-F1623 WeakPolarHBondContact CA-O 3.42Å; V1613-V1635 HydrophobicContact CG1-CB 4.48Å; V1613-V1635 PolarHBondContact O-N 3.3Å; V1613-V1637 HydrophobicContact CB-CG2 4.14Å; V1613-V1637 HydrophobicContact CG1-CG2 4.23Å; V1613-V1637 HydrophobicContact CG2-CG2 4.4Å |
| 1614 | C | 54.6 | Low | 51.5 | Low | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.034 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 150.3 | -177.9 | -60 | 0 | 0 | 0 | 0 | 110 | S1612 F1623 M1632 | S1612-C1614 PolarHBondContact O-N 3.4Å; S1612-C1614 PolarHBondContact O-SG 2.89Å; S1612-C1614 VanDerWaalsContact O-SG 3.37Å; C1614-F1623 PolarHBondContact N-O 3.28Å; C1614-F1623 PolarHBondContact O-N 2.97Å; C1614-F1623 VanDerWaalsContact O-O 3.11Å; C1614-M1632 HydrophobicContact CB-CB 4.22Å; C1614-M1632 HydrophobicContact CB-CE 3.5Å |
| 1615 | S | 51.7 | Low | 51.1 | Low | 9 Ų | 9 | 59.4 Ų | 59.4 | 6% | 0.063 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137.7 | 174.3 | 166.5 | 0 | 0 | 0 | 0 | 108.1 | E1617 S1620 N1633 | S1615-E1617 PolarHBondContact OG-O 3.43Å; S1615-S1620 PolarHBondContact OG-OG 2.83Å; S1615-N1633 PolarHBondContact N-O 2.92Å; S1615-N1633 PolarHBondContact O-N 2.95Å |
| 1616 | M | 46.8 | Very low | 50.8 | Low | 120 Ų | 120 | 62.1 Ų | 62.1 | 59% | 0.591 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -73.3 | -38 | -179.3 | -84.3 | -158.1 | -72.5 | 0 | 0 | 111.4 | S1620 F1623 M1632 | M1616-S1620 PolarHBondContact N-OG 2.88Å; M1616-S1620 VanDerWaalsContact N-OG 3.13Å; M1616-F1623 HydrophobicContact CE-CE2 4.16Å; M1616-F1623 HydrophobicContact CE-CZ 4.38Å; M1616-F1623 HydrophobicContact CG-CE2 4.41Å; M1616-M1632 HydrophobicContact CB-SD 4.43Å; M1616-M1632 HydrophobicContact CG-CE 4.01Å; M1616-M1632 HydrophobicContact CG-SD 3.55Å; M1616-M1632 VanDerWaalsContact CG-SD 3.55Å |
| 1617 | E | 47.9 | Very low | 50.4 | Low | 146 Ų | 146 | 65 Ų | 65 | 68% | 0.682 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -151 | 159.2 | -176.1 | -67.7 | -174.7 | 166.4 | 0 | 0 | 110.6 | S1615 L1619 S1620 | S1615-E1617 PolarHBondContact OG-O 3.43Å; E1617-L1619 PolarHBondContact O-N 2.95Å; E1617-L1619 VanDerWaalsContact O-N 3.08Å; E1617-S1620 VanDerWaalsContact O-CB 3.29Å; E1617-S1620 WeakPolarHBondContact O-CB 3.33Å; E1617-S1620 PolarHBondContact O-N 2.79Å; E1617-S1620 PolarHBondContact O-OG 3.48Å |
| 1618 | Y | 42.5 | Very low | 50.1 | Low | 93 Ų | 93 | 63.4 Ų | 63.4 | 37% | 0.365 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 119.9 | 170.5 | -125.5 | -86 | 0 | 0 | 0 | 109.1 | T1473 M1496 S1620 | T1473-Y1618 WeakPolarHBondContact OG1-CE2 3.16Å; M1496-Y1618 HydrophobicContact CE-CD1 3.78Å; M1496-Y1618 HydrophobicContact CE-CE1 3.46Å; M1496-Y1618 VanDerWaalsContact CE-CE1 3.46Å; M1496-Y1618 HydrophobicContact SD-CD1 4.31Å; M1496-Y1618 HydrophobicContact SD-CE1 3.54Å; M1496-Y1618 VanDerWaalsContact SD-CE1 3.54Å; Y1618-S1620 VanDerWaalsContact C-N 3.34Å |
| 1619 | L | 41.6 | Very low | 50 | Low | 88 Ų | 88 | 60.6 Ų | 60.6 | 46% | 0.461 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 12.5 | -179.8 | -51.6 | 126.2 | 0 | 0 | 0 | 115.6 | M1496 Y1497 E1617 | M1496-L1619 HydrophobicContact CB-CD1 4.23Å; M1496-L1619 HydrophobicContact CB-CD2 4.21Å; M1496-L1619 WeakPolarHBondContact O-CD1 3.24Å; M1496-L1619 WeakPolarHBondContact O-CD2 3.29Å; M1496-L1619 WeakPolarHBondContact O-CG 3.39Å; Y1497-L1619 HydrophobicContact CD2-CB 3.69Å; Y1497-L1619 HydrophobicContact CD2-CD1 3.47Å; Y1497-L1619 VanDerWaalsContact CD2-CD1 3.47Å; Y1497-L1619 HydrophobicContact CD2-CD2 3.86Å; Y1497-L1619 HydrophobicContact CD2-CG 3.76Å; Y1497-L1619 HydrophobicContact CE2-CB 3.69Å; Y1497-L1619 HydrophobicContact CE2-CD1 3.67Å; Y1497-L1619 HydrophobicContact CE2-CG 4.11Å; E1617-L1619 PolarHBondContact O-N 2.95Å; E1617-L1619 VanDerWaalsContact O-N 3.08Å |
| 1620 | S | 47 | Very low | 50.1 | Low | 20 Ų | 20 | 62.5 Ų | 62.5 | 14% | 0.14 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 156.3 | 166.3 | 88 | 0 | 0 | 0 | 0 | 110.6 | S1615 M1616 E1617 Y1618 V1622 | S1615-S1620 PolarHBondContact OG-OG 2.83Å; M1616-S1620 PolarHBondContact N-OG 2.88Å; M1616-S1620 VanDerWaalsContact N-OG 3.13Å; E1617-S1620 VanDerWaalsContact O-CB 3.29Å; E1617-S1620 WeakPolarHBondContact O-CB 3.33Å; E1617-S1620 PolarHBondContact O-N 2.79Å; E1617-S1620 PolarHBondContact O-OG 3.48Å; Y1618-S1620 VanDerWaalsContact C-N 3.34Å; S1620-V1622 PolarHBondContact O-N 2.85Å |
| 1621 | P | 49.2 | Very low | 50.1 | Low | 50 Ų | 50 | 67.8 Ų | 67.8 | 33% | 0.325 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 146.3 | 163.1 | -16.5 | 27.2 | 0 | 0 | 0 | 109.4 | F1623 | P1621-F1623 HydrophobicContact CB-CE1 3.8Å; P1621-F1623 HydrophobicContact CB-CE2 4.29Å; P1621-F1623 HydrophobicContact CB-CZ 3.64Å; P1621-F1623 HydrophobicContact CG-CE1 4.27Å; P1621-F1623 HydrophobicContact CG-CZ 3.83Å; P1621-F1623 WeakPolarHBondContact O-CD2 2.69Å; P1621-F1623 WeakPolarHBondContact O-CE2 3.38Å; P1621-F1623 WeakPolarHBondContact O-CZ 3.47Å |
| 1622 | V | 57.5 | Low | 49.6 | Very low | 17 Ų | 17 | 68.6 Ų | 68.6 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 125.2 | 179.4 | -168.8 | 0 | 0 | 0 | 0 | 108.1 | F1471 L1577 V1613 S1620 | F1471-V1622 HydrophobicContact CD1-CG1 4.43Å; F1471-V1622 HydrophobicContact CE1-CG1 4.35Å; L1577-V1622 HydrophobicContact CD1-CB 3.88Å; L1577-V1622 HydrophobicContact CD1-CG1 3.56Å; L1577-V1622 PolarHBondContact N-O 2.87Å; V1613-V1622 HydrophobicContact CB-CG1 4.45Å; V1613-V1622 HydrophobicContact CG1-CB 4.45Å; V1613-V1622 HydrophobicContact CG1-CG1 3Å; S1620-V1622 PolarHBondContact O-N 2.85Å |
| 1623 | F | 58.6 | Low | 49.3 | Very low | 22 Ų | 22 | 71.2 Ų | 71.2 | 10% | 0.096 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 162.3 | -173.6 | -48.7 | -79.5 | 0 | 0 | 0 | 111.6 | E1574 P1575 F1576 V1613 C1614 M1616 P1621 | E1574-F1623 HydrophobicContact CB-CB 4.31Å; P1575-F1623 WeakPolarHBondContact O-CA 3.45Å; F1576-F1623 HydrophobicContact CB-CD1 3.9Å; F1576-F1623 HydrophobicContact CB-CE1 4.17Å; V1613-F1623 CarbonylContact C-O 3.59Å; V1613-F1623 WeakPolarHBondContact CA-O 3.42Å; C1614-F1623 PolarHBondContact N-O 3.28Å; C1614-F1623 PolarHBondContact O-N 2.97Å; C1614-F1623 VanDerWaalsContact O-O 3.11Å; M1616-F1623 HydrophobicContact CE-CE2 4.16Å; M1616-F1623 HydrophobicContact CE-CZ 4.38Å; M1616-F1623 HydrophobicContact CG-CE2 4.41Å; P1621-F1623 HydrophobicContact CB-CE1 3.8Å; P1621-F1623 HydrophobicContact CB-CE2 4.29Å; P1621-F1623 HydrophobicContact CB-CZ 3.64Å; P1621-F1623 HydrophobicContact CG-CE1 4.27Å; P1621-F1623 HydrophobicContact CG-CZ 3.83Å; P1621-F1623 WeakPolarHBondContact O-CD2 2.69Å; P1621-F1623 WeakPolarHBondContact O-CE2 3.38Å; P1621-F1623 WeakPolarHBondContact O-CZ 3.47Å |
| 1624 | L | 56.2 | Low | 49 | Very low | 7 Ų | 7 | 74.5 Ų | 74.5 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 110.5 | 166.9 | -88 | 111.4 | 0 | 0 | 0 | 111 | I1565 P1575 L1577 W1592 L1603 A1611 | I1565-L1624 HydrophobicContact CB-CD1 4.46Å; I1565-L1624 HydrophobicContact CD1-CD1 3.34Å; I1565-L1624 HydrophobicContact CD1-CD2 4.05Å; I1565-L1624 HydrophobicContact CD1-CG 4.31Å; I1565-L1624 HydrophobicContact CG1-CD1 3.46Å; I1565-L1624 VanDerWaalsContact CG1-CD1 3.46Å; I1565-L1624 HydrophobicContact CG2-CD1 4.17Å; P1575-L1624 HydrophobicContact CG-CB 4.25Å; P1575-L1624 PolarHBondContact O-N 3.49Å; L1577-L1624 HydrophobicContact CG-CD1 4.39Å; W1592-L1624 HydrophobicContact CH2-CD1 3.96Å; W1592-L1624 HydrophobicContact CZ3-CD1 4.3Å; L1603-L1624 HydrophobicContact CB-CD2 4.31Å; A1611-L1624 HydrophobicContact CB-CB 4.02Å; A1611-L1624 HydrophobicContact CB-CD2 3.34Å; A1611-L1624 HydrophobicContact CB-CG 4.24Å |
| 1625 | G | 56 | Low | 49.1 | Very low | 3 Ų | 3 | 74.5 Ų | 74.5 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1611 S1612 | A1611-G1625 WeakPolarHBondContact CA-O 3.47Å; S1612-G1625 PolarHBondContact N-O 3.21Å; S1612-G1625 PolarHBondContact O-N 2.79Å |
| 1626 | S | 54 | Low | 49.3 | Very low | 85 Ų | 85 | 76.8 Ų | 76.8 | 59% | 0.594 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -88.3 | -18.3 | 177.2 | 164.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1627 | K | 45.4 | Very low | 50 | Low | 166 Ų | 166 | 71.3 Ų | 71.3 | 72% | 0.722 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -135.5 | 142.6 | -174.9 | -72.2 | -179.4 | 178.2 | 176.5 | 0 | 110 | L1629 | K1627-L1629 HydrophobicContact CB-CD1 4.29Å; K1627-L1629 PolarHBondContact O-N 2.89Å |
| 1628 | S | 42.3 | Very low | 50.5 | Low | 114 Ų | 114 | 67.6 Ų | 67.6 | 80% | 0.797 | 35% | 0.352 | S | S | * | . | trans | -58.8 | 75 | 166.9 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1629 | L | 40.9 | Very low | 51.5 | Low | 98 Ų | 98 | 65.8 Ų | 65.8 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | trans | -76.9 | 117.9 | 161.9 | -96.8 | 96.5 | 0 | 0 | 0 | 106.8 | K1627 F1631 M1632 | K1627-L1629 HydrophobicContact CB-CD1 4.29Å; K1627-L1629 PolarHBondContact O-N 2.89Å; L1629-F1631 PolarHBondContact O-N 3.47Å; L1629-M1632 HydrophobicContact CB-CG 4.22Å; L1629-M1632 PolarHBondContact O-N 2.91Å; L1629-M1632 VanDerWaalsContact O-N 3.07Å | ||
| 1630 | D | 47.6 | Very low | 52.3 | Low | 152 Ų | 152 | 64.9 Ų | 64.9 | 81% | 0.813 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -8.3 | -177.2 | -73.2 | -29.6 | 0 | 0 | 0 | 114.9 | ||
| 1631 | F | 46.9 | Very low | 53 | Low | 189 Ų | 189 | 69 Ų | 69 | 83% | 0.829 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -1.2 | -179.8 | -65.5 | -79.2 | 0 | 0 | 0 | 114.7 | L1629 | L1629-F1631 PolarHBondContact O-N 3.47Š|
| 1632 | M | 41.9 | Very low | 53.6 | Low | 35 Ų | 35 | 70 Ų | 70 | 17% | 0.172 | 37% | 0.365 | C | S | . | . | trans | -94.9 | 124.9 | -178.7 | -66.1 | -70.6 | -88.5 | 0 | 0 | 111.1 | E1574 C1614 M1616 L1629 N1634 | E1574-M1632 WeakPolarHBondContact OE2-CE 3.27Å; C1614-M1632 HydrophobicContact CB-CB 4.22Å; C1614-M1632 HydrophobicContact CB-CE 3.5Å; M1616-M1632 HydrophobicContact CB-SD 4.43Å; M1616-M1632 HydrophobicContact CG-CE 4.01Å; M1616-M1632 HydrophobicContact CG-SD 3.55Å; M1616-M1632 VanDerWaalsContact CG-SD 3.55Å; L1629-M1632 HydrophobicContact CB-CG 4.22Å; L1629-M1632 PolarHBondContact O-N 2.91Å; L1629-M1632 VanDerWaalsContact O-N 3.07Å; M1632-N1634 PolarHBondContact O-N 3.47Å; M1632-N1634 VanDerWaalsContact O-N 3.16Å | ||
| 1633 | N | 48.6 | Very low | 54 | Low | 74 Ų | 74 | 72.5 Ų | 72.5 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 112.4 | 169 | -82.1 | -24.1 | 0 | 0 | 0 | 108.5 | S1615 V1635 | S1615-N1633 PolarHBondContact N-O 2.92Å; S1615-N1633 PolarHBondContact O-N 2.95Å; N1633-V1635 PolarHBondContact O-N 2.99Å; N1633-V1635 VanDerWaalsContact O-N 3.08Å |
| 1634 | N | 53 | Low | 54.4 | Low | 71 Ų | 71 | 74.3 Ų | 74.3 | 38% | 0.38 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 115.2 | 169.1 | -77.6 | -28 | 0 | 0 | 0 | 108.3 | M1632 | M1632-N1634 PolarHBondContact O-N 3.47Å; M1632-N1634 VanDerWaalsContact O-N 3.16Å |
| 1635 | V | 56 | Low | 54.9 | Low | 6 Ų | 6 | 74.3 Ų | 74.3 | 4% | 0.036 | 39% | 0.388 | C | S | . | . | trans | -81.7 | 119.3 | 174.9 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | F1471 E1472 V1613 N1633 | F1471-V1635 HydrophobicContact CB-CG1 3.61Å; F1471-V1635 HydrophobicContact CD1-CG1 3.7Å; F1471-V1635 HydrophobicContact CG-CG1 4.13Å; E1472-V1635 CarbonylContact O-C 3.5Å; E1472-V1635 WeakPolarHBondContact O-CA 3.36Å; V1613-V1635 HydrophobicContact CG1-CB 4.48Å; V1613-V1635 PolarHBondContact O-N 3.3Å; N1633-V1635 PolarHBondContact O-N 2.99Å; N1633-V1635 VanDerWaalsContact O-N 3.08Å | ||
| 1636 | M | 56.3 | Low | 55.5 | Low | 57 Ų | 57 | 75.5 Ų | 75.5 | 28% | 0.281 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 128.5 | 169.3 | -63.2 | -155.6 | -169.4 | 0 | 0 | 108.5 | F1471 E1472 K1474 S1599 Y1638 | F1471-M1636 CarbonylContact C-O 3.56Å; F1471-M1636 WeakPolarHBondContact CA-O 3.07Å; E1472-M1636 HydrophobicContact CB-CB 4.4Å; E1472-M1636 PolarHBondContact N-O 2.78Å; E1472-M1636 PolarHBondContact O-N 2.89Å; K1474-M1636 HydrophobicContact CG-CE 4.21Å; S1599-M1636 CarbonylContact O-C 3.59Å; S1599-M1636 WeakPolarHBondContact O-CA 3.5Å; M1636-Y1638 HydrophobicContact CB-CD2 4.39Å; M1636-Y1638 HydrophobicContact CB-CE2 3.61Å; M1636-Y1638 PolarHBondContact SD-OH 2.74Å; M1636-Y1638 VanDerWaalsContact SD-OH 3.42Å |
| 1637 | V | 60.4 | Low | 56.1 | Low | 5 Ų | 5 | 71.7 Ų | 71.7 | 3% | 0.03 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 116 | 178.3 | -169.9 | 0 | 0 | 0 | 0 | 108.1 | I1469 M1470 F1471 F1594 S1599 L1601 V1613 | I1469-V1637 HydrophobicContact CG2-CG1 3.7Å; M1470-V1637 CarbonylContact O-C 3.53Å; M1470-V1637 WeakPolarHBondContact O-CA 3.05Å; F1471-V1637 HydrophobicContact CD1-CG1 4.28Å; F1471-V1637 HydrophobicContact CD1-CG2 3.78Å; F1471-V1637 HydrophobicContact CE1-CG1 3.97Å; F1471-V1637 HydrophobicContact CE1-CG2 3.78Å; F1594-V1637 HydrophobicContact CE1-CG1 4.01Å; S1599-V1637 PolarHBondContact O-N 2.78Å; L1601-V1637 HydrophobicContact CB-CB 4.15Å; L1601-V1637 HydrophobicContact CB-CG1 4.15Å; L1601-V1637 HydrophobicContact CB-CG2 4.02Å; V1613-V1637 HydrophobicContact CB-CG2 4.14Å; V1613-V1637 HydrophobicContact CG1-CG2 4.23Å; V1613-V1637 HydrophobicContact CG2-CG2 4.4Å |
| 1638 | Y | 59.1 | Low | 57.3 | Low | 67 Ų | 67 | 65.3 Ų | 65.3 | 26% | 0.263 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 140.5 | 176.9 | -58.9 | -85.4 | 0 | 0 | 0 | 111.2 | M1470 E1472 M1636 | M1470-Y1638 HydrophobicContact CE-CD2 3.68Å; M1470-Y1638 HydrophobicContact CE-CE2 4.43Å; M1470-Y1638 HydrophobicContact CE-CG 4.02Å; M1470-Y1638 PolarHBondContact N-O 2.95Å; M1470-Y1638 PolarHBondContact O-N 3.02Å; E1472-Y1638 HydrophobicContact CB-CD2 4.16Å; E1472-Y1638 HydrophobicContact CB-CE2 3.6Å; E1472-Y1638 HydrophobicContact CG-CE2 4.36Å; E1472-Y1638 WeakPolarHBondContact OE2-CE2 3.48Å; E1472-Y1638 PolarHBondContact OE2-OH 3.1Å; M1636-Y1638 HydrophobicContact CB-CD2 4.39Å; M1636-Y1638 HydrophobicContact CB-CE2 3.61Å; M1636-Y1638 PolarHBondContact SD-OH 2.74Å; M1636-Y1638 VanDerWaalsContact SD-OH 3.42Å |
| 1639 | Q | 63 | Low | 59.2 | Low | 55 Ų | 55 | 59.9 Ų | 59.9 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 106.4 | 168 | -171.5 | -173.9 | 23.7 | 0 | 0 | 108.2 | F1467 Y1468 F1594 Q1641 | F1467-Q1639 HydrophobicContact CB-CG 3.74Å; F1467-Q1639 HydrophobicContact CD1-CG 4.29Å; F1467-Q1639 HydrophobicContact CD2-CG 3.44Å; F1467-Q1639 VanDerWaalsContact CD2-CG 3.44Å; F1467-Q1639 HydrophobicContact CE2-CG 4.03Å; F1467-Q1639 HydrophobicContact CG-CG 3.57Å; Y1468-Q1639 WeakPolarHBondContact O-CA 3.31Å; F1594-Q1639 HydrophobicContact CE1-CB 4.39Å; Q1639-Q1641 HydrophobicContact CG-CG 4.38Å; Q1639-Q1641 PolarHBondContact O-N 3.08Å |
| 1640 | L | 59.4 | Low | 61.1 | Low | 70 Ų | 70 | 56.2 Ų | 56.2 | 37% | 0.366 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 110 | 173.8 | -79.9 | 160.3 | 0 | 0 | 0 | 108.8 | F1467 Y1468 M1470 | F1467-L1640 WeakPolarHBondContact CA-O 3.48Å; F1467-L1640 WeakPolarHBondContact CB-O 3.5Å; Y1468-L1640 PolarHBondContact N-O 3.17Å; Y1468-L1640 PolarHBondContact O-N 3.25Å; M1470-L1640 HydrophobicContact CB-CD1 4.03Å; M1470-L1640 HydrophobicContact CE-CD1 4.19Å; M1470-L1640 HydrophobicContact SD-CD1 3.82Å |
| 1641 | Q | 59.9 | Low | 62.8 | Low | 105 Ų | 105 | 49 Ų | 49 | 49% | 0.491 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 137.3 | -171.1 | -58.4 | -177.3 | -0.7 | 0 | 0 | 111.5 | Q1639 | Q1639-Q1641 HydrophobicContact CG-CG 4.38Å; Q1639-Q1641 PolarHBondContact O-N 3.08Å |
| 1642 | T | 62.3 | Low | 64.5 | Low | 73 Ų | 73 | 40.9 Ų | 40.9 | 45% | 0.448 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -90.4 | -24.4 | 177 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | Q1466 Y1468 | Q1466-T1642 WeakPolarHBondContact O-CG2 3.49Å; Q1466-T1642 PolarHBondContact O-OG1 3.39Å; Y1468-T1642 HydrophobicContact CD2-CG2 4.39Å; Y1468-T1642 HydrophobicContact CE2-CG2 4Å |
| 1643 | R | 67 | Low | 66.4 | Low | 68 Ų | 68 | 39.3 Ų | 39.3 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -137 | 143.1 | -177.3 | -65.2 | -179.2 | 177.7 | -174.8 | -5.2 | 109.4 | F1443 E1445 | F1443-R1643 HydrophobicContact CE2-CB 4.42Å; F1443-R1643 HydrophobicContact CE2-CG 4.44Å; F1443-R1643 HydrophobicContact CZ-CB 4.42Å; E1445-R1643 IonicContact OE1-CZ 2.81Å; E1445-R1643 IonicContact OE1-NH1 3.86Å; E1445-R1643 IonicContact OE1-NH2 2.84Å; E1445-R1643 PolarHBondContact OE1-NH2 3.03Å; E1445-R1643 IonicContact OE2-CZ 2.79Å; E1445-R1643 IonicContact OE2-NH1 2.65Å; E1445-R1643 PolarHBondContact OE2-NH1 3.08Å; E1445-R1643 IonicContact OE2-NH2 3.13Å; E1445-R1643 PolarHBondContact OE2-NH2 3.2Å |
| 1644 | P | 66.3 | Low | 67.6 | Low | 61 Ų | 61 | 37.8 Ų | 37.8 | 40% | 0.396 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -68.5 | 165.2 | 176.1 | 28.3 | -33.7 | 0 | 0 | 0 | 112.5 | D1400 V1401 Y1463 | D1400-P1644 HydrophobicContact CB-CB 4.03Å; D1400-P1644 WeakPolarHBondContact O-CB 3.3Å; D1400-P1644 WeakPolarHBondContact O-CG 3.42Å; V1401-P1644 VanDerWaalsContact CG2-O 3.24Å; V1401-P1644 WeakPolarHBondContact CG2-O 3.38Å; Y1463-P1644 PolarHBondContact OH-O 2.8Å |
| 1645 | G | 67 | Low | 68.4 | Low | 7 Ų | 7 | 36.4 Ų | 36.4 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 79.6 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y1463 K1465 D1666 | Y1463-G1645 WeakPolarHBondContact OH-CA 3.37Å; Y1463-G1645 PolarHBondContact OH-O 2.8Å; K1465-G1645 WeakPolarHBondContact CD-O 3.45Å; K1465-G1645 VanDerWaalsContact CE-O 3.25Å; K1465-G1645 WeakPolarHBondContact CE-O 3.33Å; K1465-G1645 PolarHBondContact NZ-O 2.8Å; G1645-D1666 VanDerWaalsContact C-OD2 3.29Å; G1645-D1666 WeakPolarHBondContact CA-OD2 3.49Å |
| 1646 | S | 69.1 | Low | 68.9 | Low | 27 Ų | 27 | 40.4 Ų | 40.4 | 19% | 0.189 | 22% | 0.22 | C | C | . | . | trans | -79.6 | -13.4 | -173.3 | 78.6 | 0 | 0 | 0 | 0 | 115.2 | Y1463 T1648 D1666 | Y1463-S1646 PolarHBondContact OH-N 2.88Å; S1646-T1648 VanDerWaalsContact C-N 3.3Å; S1646-T1648 PolarHBondContact OG-N 3.32Å; S1646-T1648 VanDerWaalsContact OG-N 3.13Å; S1646-T1648 PolarHBondContact OG-O 3.49Å; S1646-D1666 WeakPolarHBondContact CA-OD1 2.95Å; S1646-D1666 WeakPolarHBondContact CB-OD1 3.47Å; S1646-D1666 VanDerWaalsContact N-CG 3.26Å; S1646-D1666 PolarHBondContact N-OD1 2.94Å; S1646-D1666 PolarHBondContact N-OD2 2.77Å; S1646-D1666 PolarHBondContact OG-OD1 2.71Å | ||
| 1647 | G | 65.9 | Low | 69.5 | Low | 5 Ų | 5 | 38 Ų | 38 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 90.6 | -16.5 | -168 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1463 | Y1463-G1647 WeakPolarHBondContact CD1-O 3.41Å; Y1463-G1647 VanDerWaalsContact CE1-C 3.47Å; Y1463-G1647 VanDerWaalsContact CZ-CA 3.42Å; Y1463-G1647 PolarHBondContact N-O 3.11Å; Y1463-G1647 PolarHBondContact OH-N 2.99Å |
| 1648 | T | 71 | Confident | 69.9 | Low | 33 Ų | 33 | 38.8 Ų | 38.8 | 20% | 0.202 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 111.9 | 175.1 | -49.4 | 0 | 0 | 0 | 0 | 109.9 | L1462 S1646 F1667 | L1462-T1648 HydrophobicContact CD1-CG2 4.26Å; L1462-T1648 WeakPolarHBondContact CD1-OG1 3.43Å; S1646-T1648 VanDerWaalsContact C-N 3.3Å; S1646-T1648 PolarHBondContact OG-N 3.32Å; S1646-T1648 VanDerWaalsContact OG-N 3.13Å; S1646-T1648 PolarHBondContact OG-O 3.49Å; T1648-F1667 HydrophobicContact CG2-CB 4.07Å; T1648-F1667 HydrophobicContact CG2-CG 4.35Å; T1648-F1667 VanDerWaalsContact O-CB 3.3Å; T1648-F1667 WeakPolarHBondContact O-CB 3.35Å; T1648-F1667 PolarHBondContact O-N 2.81Å |
| 1649 | L | 81.4 | Confident | 70.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 147.4 | 171.6 | -59.7 | 176.9 | 0 | 0 | 0 | 109.8 | S1399 V1403 V1442 F1461 Y1463 I1664 Y1665 | S1399-L1649 VanDerWaalsContact CB-CD2 3.42Å; V1403-L1649 HydrophobicContact CG2-CD1 4.46Å; V1442-L1649 HydrophobicContact CG2-CD1 3.8Å; F1461-L1649 HydrophobicContact CB-CB 4.18Å; F1461-L1649 HydrophobicContact CD1-CB 4.29Å; F1461-L1649 HydrophobicContact CD1-CD1 4.03Å; F1461-L1649 PolarHBondContact N-O 2.79Å; F1461-L1649 PolarHBondContact O-N 3.43Å; Y1463-L1649 HydrophobicContact CD1-CD1 4.37Å; Y1463-L1649 HydrophobicContact CD1-CG 4.19Å; Y1463-L1649 HydrophobicContact CE1-CD1 4.3Å; Y1463-L1649 HydrophobicContact CE1-CD2 4.3Å; Y1463-L1649 HydrophobicContact CE1-CG 3.9Å; L1649-I1664 HydrophobicContact CB-CG2 4.18Å; L1649-I1664 HydrophobicContact CD1-CG2 4.15Å; L1649-Y1665 CarbonylContact C-O 3.4Å; L1649-Y1665 VanDerWaalsContact CA-O 3.27Å; L1649-Y1665 WeakPolarHBondContact CA-O 3.3Å |
| 1650 | Q | 80.9 | Confident | 71.5 | Confident | 20 Ų | 20 | 34.7 Ų | 34.7 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 120.3 | 172.4 | -174 | 166.3 | 69.4 | 0 | 0 | 109.6 | D1460 V1652 Y1665 I1670 | D1460-Q1650 PolarHBondContact OD1-NE2 2.94Å; D1460-Q1650 VanDerWaalsContact OD1-NE2 3.15Å; Q1650-V1652 HydrophobicContact CG-CG2 4.22Å; Q1650-Y1665 PolarHBondContact N-O 2.73Å; Q1650-Y1665 PolarHBondContact O-N 3.06Å; Q1650-I1670 VanDerWaalsContact OE1-CD1 3.29Å |
| 1651 | V | 84.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 117.4 | 178.5 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | L1440 L1448 F1450 M1458 H1459 V1662 A1663 I1664 | L1440-V1651 HydrophobicContact CD1-CG1 3.97Å; L1440-V1651 HydrophobicContact CD1-CG2 3.9Å; L1448-V1651 HydrophobicContact CD2-CB 4.25Å; L1448-V1651 HydrophobicContact CD2-CG2 3.82Å; F1450-V1651 HydrophobicContact CE1-CG1 4.12Å; F1450-V1651 HydrophobicContact CE2-CG1 4.41Å; F1450-V1651 HydrophobicContact CZ-CG1 3.78Å; M1458-V1651 CarbonylContact C-O 3.56Å; M1458-V1651 WeakPolarHBondContact CA-O 2.95Å; H1459-V1651 HydrophobicContact CB-CB 4.4Å; H1459-V1651 PolarHBondContact N-O 3.01Å; H1459-V1651 PolarHBondContact O-N 2.8Å; V1651-V1662 HydrophobicContact CG1-CG1 3.61Å; V1651-A1663 WeakPolarHBondContact CA-O 3.42Å; V1651-I1664 HydrophobicContact CG2-CG1 4.32Å |
| 1652 | V | 82.6 | Confident | 73.9 | Confident | 19 Ų | 19 | 29.6 Ų | 29.6 | 12% | 0.115 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 121.4 | 179 | -173 | 0 | 0 | 0 | 0 | 108.8 | M1458 Q1650 T1654 A1663 Y1665 | M1458-V1652 HydrophobicContact CE-CG1 4.34Å; M1458-V1652 HydrophobicContact CE-CG2 4.23Å; M1458-V1652 HydrophobicContact CG-CG1 4.41Å; M1458-V1652 HydrophobicContact CG-CG2 4.13Å; M1458-V1652 HydrophobicContact SD-CG2 4.43Å; Q1650-V1652 HydrophobicContact CG-CG2 4.22Å; V1652-T1654 HydrophobicContact CG1-CG2 3.99Å; V1652-A1663 PolarHBondContact N-O 2.78Å; V1652-A1663 PolarHBondContact O-N 3.03Å; V1652-Y1665 HydrophobicContact CB-CD2 4.44Å; V1652-Y1665 HydrophobicContact CB-CE2 4.02Å; V1652-Y1665 HydrophobicContact CG2-CD2 3.77Å; V1652-Y1665 HydrophobicContact CG2-CE2 3.74Å |
| 1653 | V | 80.8 | Confident | 75.1 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118.2 | 175.1 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | F1450 L1452 N1456 C1457 Q1661 V1662 | F1450-V1653 HydrophobicContact CD2-CG2 4.04Å; F1450-V1653 HydrophobicContact CE2-CG2 3.55Å; F1450-V1653 HydrophobicContact CZ-CG2 4.48Å; L1452-V1653 HydrophobicContact CD2-CG1 3.77Å; L1452-V1653 HydrophobicContact CD2-CG2 4.18Å; N1456-V1653 VanDerWaalsContact CA-O 3.27Å; N1456-V1653 WeakPolarHBondContact CA-O 3.05Å; N1456-V1653 PolarHBondContact N-O 3.44Å; C1457-V1653 PolarHBondContact O-N 2.91Å; V1653-Q1661 WeakPolarHBondContact CA-O 3.46Å; V1653-V1662 HydrophobicContact CG1-CG2 4.46Å; V1653-V1662 HydrophobicContact CG2-CG2 4.32Å |
| 1654 | T | 74.5 | Confident | 76.1 | Confident | 43 Ų | 43 | 23 Ų | 23 | 26% | 0.264 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 155 | 175.3 | 58.4 | 0 | 0 | 0 | 0 | 110.4 | V1652 R1660 Q1661 | V1652-T1654 HydrophobicContact CG1-CG2 3.99Å; T1654-R1660 CarbonylContact O-C 3.56Å; T1654-Q1661 PolarHBondContact N-O 3.35Å; T1654-Q1661 PolarHBondContact O-N 3.32Å |
| 1655 | A | 70.1 | Confident | 76.8 | Confident | 42 Ų | 42 | 23.9 Ų | 23.9 | 35% | 0.347 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1656 | D | 66.2 | Low | 77.3 | Confident | 89 Ų | 89 | 24.4 Ų | 24.4 | 48% | 0.476 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 100.2 | 166.3 | -171.1 | 17 | 0 | 0 | 0 | 108.8 | T1659 R1804 | D1656-T1659 PolarHBondContact N-O 3.32Å; D1656-T1659 PolarHBondContact O-N 2.83Å; D1656-T1659 VanDerWaalsContact O-N 3.09Å; D1656-R1804 IonicContact OD1-NH1 2.7Å; D1656-R1804 PolarHBondContact OD1-NH1 3.38Å; D1656-R1804 IonicContact OD2-NH1 3.96Å |
| 1657 | G | 68.7 | Low | 77.1 | Confident | 6 Ų | 6 | 28.6 Ų | 28.6 | 6% | 0.062 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -128.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1659 R1660 Y1867 | G1657-T1659 VanDerWaalsContact C-N 3.26Å; G1657-T1659 PolarHBondContact O-N 3.07Å; G1657-R1660 PolarHBondContact O-NH1 3.39Å; G1657-Y1867 VanDerWaalsContact C-CZ 3.46Å; G1657-Y1867 WeakPolarHBondContact O-CE1 3.19Å; G1657-Y1867 PolarHBondContact O-OH 3.39Å |
| 1658 | P | 69.3 | Low | 76.5 | Confident | 22 Ų | 22 | 35.8 Ų | 35.8 | 14% | 0.143 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -16.6 | 179.4 | 31 | -34.9 | 0 | 0 | 0 | 113.8 | P1390 L1809 Y1867 | P1390-P1658 HydrophobicContact CB-CG 4.46Å; P1390-P1658 HydrophobicContact CG-CG 3.68Å; P1658-L1809 HydrophobicContact CG-CD2 3.66Å; P1658-Y1867 VanDerWaalsContact CA-CE2 3.44Å; P1658-Y1867 HydrophobicContact CB-CD1 4.49Å; P1658-Y1867 HydrophobicContact CB-CD2 3.52Å; P1658-Y1867 HydrophobicContact CB-CE2 3.89Å; P1658-Y1867 HydrophobicContact CB-CG 3.84Å; P1658-Y1867 HydrophobicContact CG-CD2 4.48Å; P1658-Y1867 HydrophobicContact CG-CG 4.35Å |
| 1659 | T | 75 | Confident | 75 | Confident | 17 Ų | 17 | 41.2 Ų | 41.2 | 10% | 0.104 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 126 | -174 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | P1391 P1392 T1394 D1656 G1657 | P1391-T1659 WeakPolarHBondContact O-CB 3.42Å; P1391-T1659 WeakPolarHBondContact O-CG2 3.3Å; P1391-T1659 PolarHBondContact O-OG1 2.76Å; P1392-T1659 WeakPolarHBondContact O-CA 3.36Å; T1394-T1659 HydrophobicContact CG2-CG2 3.54Å; T1394-T1659 WeakPolarHBondContact OG1-CG2 3.35Å; D1656-T1659 PolarHBondContact N-O 3.32Å; D1656-T1659 PolarHBondContact O-N 2.83Å; D1656-T1659 VanDerWaalsContact O-N 3.09Å; G1657-T1659 VanDerWaalsContact C-N 3.26Å; G1657-T1659 PolarHBondContact O-N 3.07Å |
| 1660 | R | 80.8 | Confident | 72.8 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 112.5 | 168 | -67.2 | -70.5 | 174.7 | -83 | 5.5 | 108.5 | P1392 I1393 T1394 L1452 T1654 G1657 E1920 | P1392-R1660 PolarHBondContact O-N 3.24Å; I1393-R1660 CarbonylContact C-O 3.54Å; I1393-R1660 VanDerWaalsContact CA-O 3.3Å; I1393-R1660 WeakPolarHBondContact CA-O 3.47Å; T1394-R1660 PolarHBondContact N-O 2.89Å; L1452-R1660 HydrophobicContact CD1-CB 4.37Å; T1654-R1660 CarbonylContact O-C 3.56Å; G1657-R1660 PolarHBondContact O-NH1 3.39Å; R1660-E1920 IonicContact CZ-OE1 3.77Å; R1660-E1920 IonicContact NH2-OE1 2.75Å; R1660-E1920 PolarHBondContact NH2-OE1 2.81Å; R1660-E1920 IonicContact NH2-OE2 2.73Å |
| 1661 | Q | 82.7 | Confident | 70.5 | Confident | 69 Ų | 69 | 48.7 Ų | 48.7 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 120.9 | 175.3 | -172.8 | 178.4 | 23.8 | 0 | 0 | 110 | T1394 V1653 T1654 | T1394-Q1661 CarbonylContact O-C 3.59Å; T1394-Q1661 VanDerWaalsContact O-CA 3.32Å; T1394-Q1661 WeakPolarHBondContact O-CA 3.47Å; T1394-Q1661 WeakPolarHBondContact OG1-CA 3.34Å; T1394-Q1661 WeakPolarHBondContact OG1-CB 3.37Å; V1653-Q1661 WeakPolarHBondContact CA-O 3.46Å; T1654-Q1661 PolarHBondContact N-O 3.35Å; T1654-Q1661 PolarHBondContact O-N 3.32Å |
| 1662 | V | 86.6 | Confident | 67.7 | Low | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 106.6 | 174.2 | 178.2 | 0 | 0 | 0 | 0 | 106.7 | I1393 T1394 L1395 L1396 L1438 F1450 L1452 V1651 V1653 | I1393-V1662 HydrophobicContact CG2-CG2 4.37Å; T1394-V1662 PolarHBondContact O-N 3.44Å; L1395-V1662 CarbonylContact C-O 3.58Å; L1395-V1662 WeakPolarHBondContact CA-O 3.44Å; L1395-V1662 HydrophobicContact CD2-CB 3.61Å; L1395-V1662 HydrophobicContact CD2-CG1 3.74Å; L1395-V1662 HydrophobicContact CD2-CG2 4.15Å; L1396-V1662 PolarHBondContact N-O 2.91Å; L1438-V1662 HydrophobicContact CD2-CG2 4.49Å; F1450-V1662 HydrophobicContact CE2-CG1 4.42Å; F1450-V1662 HydrophobicContact CE2-CG2 4.47Å; F1450-V1662 HydrophobicContact CZ-CG1 3.9Å; L1452-V1662 HydrophobicContact CD2-CG2 3.53Å; V1651-V1662 HydrophobicContact CG1-CG1 3.61Å; V1653-V1662 HydrophobicContact CG1-CG2 4.46Å; V1653-V1662 HydrophobicContact CG2-CG2 4.32Å |
| 1663 | A | 87 | Confident | 65 | Low | 2 Ų | 2 | 58 Ų | 58 | 2% | 0.017 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1396 V1651 V1652 Y1665 | L1396-A1663 HydrophobicContact CB-CB 4.45Å; L1396-A1663 HydrophobicContact CD2-CB 4.4Å; L1396-A1663 CarbonylContact O-C 3.59Å; L1396-A1663 WeakPolarHBondContact O-CA 3.35Å; V1651-A1663 WeakPolarHBondContact CA-O 3.42Å; V1652-A1663 PolarHBondContact N-O 2.78Å; V1652-A1663 PolarHBondContact O-N 3.03Å; A1663-Y1665 HydrophobicContact CB-CD2 4.32Å; A1663-Y1665 HydrophobicContact CB-CE2 3.42Å; A1663-Y1665 VanDerWaalsContact CB-CE2 3.42Å; A1663-Y1665 WeakPolarHBondContact CB-OH 3.43Å |
| 1664 | I | 88 | Confident | 62.4 | Low | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 115.1 | -179.3 | -53.1 | 165.6 | 0 | 0 | 0 | 107.2 | L1396 T1398 S1399 V1403 L1440 L1649 V1651 | L1396-I1664 PolarHBondContact O-N 3.41Å; T1398-I1664 WeakPolarHBondContact CA-O 3.31Å; T1398-I1664 PolarHBondContact N-O 3.03Å; T1398-I1664 PolarHBondContact OG1-O 2.94Å; S1399-I1664 PolarHBondContact N-O 3.21Å; V1403-I1664 HydrophobicContact CB-CD1 4.1Å; V1403-I1664 HydrophobicContact CG1-CD1 3.92Å; V1403-I1664 HydrophobicContact CG2-CD1 4.02Å; L1440-I1664 HydrophobicContact CD1-CD1 3.93Å; L1440-I1664 HydrophobicContact CD1-CG1 4.23Å; L1440-I1664 HydrophobicContact CD2-CD1 4.5Å; L1649-I1664 HydrophobicContact CB-CG2 4.18Å; L1649-I1664 HydrophobicContact CD1-CG2 4.15Å; V1651-I1664 HydrophobicContact CG2-CG1 4.32Å |
| 1665 | Y | 81.6 | Confident | 60 | Low | 78 Ų | 78 | 74.8 Ų | 74.8 | 31% | 0.306 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 156.2 | -179.4 | -59.3 | -80.7 | 0 | 0 | 0 | 110.6 | T1398 L1649 Q1650 V1652 A1663 | T1398-Y1665 HydrophobicContact CG2-CE1 4.4Å; T1398-Y1665 WeakPolarHBondContact OG1-CD1 3.31Å; L1649-Y1665 CarbonylContact C-O 3.4Å; L1649-Y1665 VanDerWaalsContact CA-O 3.27Å; L1649-Y1665 WeakPolarHBondContact CA-O 3.3Å; Q1650-Y1665 PolarHBondContact N-O 2.73Å; Q1650-Y1665 PolarHBondContact O-N 3.06Å; V1652-Y1665 HydrophobicContact CB-CD2 4.44Å; V1652-Y1665 HydrophobicContact CB-CE2 4.02Å; V1652-Y1665 HydrophobicContact CG2-CD2 3.77Å; V1652-Y1665 HydrophobicContact CG2-CE2 3.74Å; A1663-Y1665 HydrophobicContact CB-CD2 4.32Å; A1663-Y1665 HydrophobicContact CB-CE2 3.42Å; A1663-Y1665 VanDerWaalsContact CB-CE2 3.42Å; A1663-Y1665 WeakPolarHBondContact CB-OH 3.43Å |
| 1666 | D | 76.5 | Confident | 57.7 | Low | 19 Ų | 19 | 78.4 Ų | 78.4 | 10% | 0.102 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.6 | 166.7 | -147.3 | -7.1 | 0 | 0 | 0 | 110 | G1645 S1646 E1668 M1669 | G1645-D1666 VanDerWaalsContact C-OD2 3.29Å; G1645-D1666 WeakPolarHBondContact CA-OD2 3.49Å; S1646-D1666 WeakPolarHBondContact CA-OD1 2.95Å; S1646-D1666 WeakPolarHBondContact CB-OD1 3.47Å; S1646-D1666 VanDerWaalsContact N-CG 3.26Å; S1646-D1666 PolarHBondContact N-OD1 2.94Å; S1646-D1666 PolarHBondContact N-OD2 2.77Å; S1646-D1666 PolarHBondContact OG-OD1 2.71Å; D1666-E1668 PolarHBondContact O-N 2.97Å; D1666-M1669 PolarHBondContact O-N 3.47Å |
| 1667 | F | 64.5 | Low | 55.6 | Low | 115 Ų | 115 | 79.7 Ų | 79.7 | 50% | 0.504 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -61.7 | -20 | -166.5 | -175.4 | -102.1 | 0 | 0 | 0 | 114.5 | T1648 M1669 | T1648-F1667 HydrophobicContact CG2-CB 4.07Å; T1648-F1667 HydrophobicContact CG2-CG 4.35Å; T1648-F1667 VanDerWaalsContact O-CB 3.3Å; T1648-F1667 WeakPolarHBondContact O-CB 3.35Å; T1648-F1667 PolarHBondContact O-N 2.81Å; F1667-M1669 VanDerWaalsContact C-N 3.26Å; F1667-M1669 PolarHBondContact O-N 2.62Å |
| 1668 | E | 54.1 | Low | 53.5 | Low | 155 Ų | 155 | 88.9 Ų | 88.9 | 72% | 0.724 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -69.8 | -18.3 | 175.6 | -72.2 | -171 | 162.1 | 0 | 0 | 114 | D1666 I1670 | D1666-E1668 PolarHBondContact O-N 2.97Å; E1668-I1670 VanDerWaalsContact C-N 3.35Å; E1668-I1670 PolarHBondContact O-N 2.79Å |
| 1669 | M | 38.6 | Very low | 51.3 | Low | 147 Ų | 147 | 98 Ų | 98 | 72% | 0.724 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -79.5 | -3.4 | -174 | -90.2 | -87 | 15.1 | 0 | 0 | 115.7 | D1666 F1667 | D1666-M1669 PolarHBondContact O-N 3.47Å; F1667-M1669 VanDerWaalsContact C-N 3.26Å; F1667-M1669 PolarHBondContact O-N 2.62Å |
| 1670 | I | 37 | Very low | 48.8 | Very low | 112 Ų | 112 | 107.2 Ų | 107.2 | 57% | 0.574 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -106.9 | -2.4 | -177.3 | -59.2 | 176.3 | 0 | 0 | 0 | 113.2 | Q1650 E1668 | Q1650-I1670 VanDerWaalsContact OE1-CD1 3.29Å; E1668-I1670 VanDerWaalsContact C-N 3.35Å; E1668-I1670 PolarHBondContact O-N 2.79Å |
| 1671 | G | 32.2 | Very low | 46 | Very low | 65 Ų | 65 | 116 Ų | 116 | 67% | 0.67 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -105.4 | -29 | -164.7 | 0 | 0 | 0 | 0 | 0 | 120 | S1673 | G1671-S1673 PolarHBondContact O-N 2.77Š|
| 1672 | A | 26 | Very low | 43.2 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 90% | 0.901 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -84.9 | -3.7 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1673 | S | 25.4 | Very low | 40.2 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -111.6 | 90 | 174.7 | 173 | 0 | 0 | 0 | 0 | 112.3 | G1671 | G1671-S1673 PolarHBondContact O-N 2.77Š|
| 1674 | K | 25.5 | Very low | 37.1 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 79% | 0.787 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 48 | 95 | 144.3 | -63.4 | 173.6 | 179.7 | 170.1 | 0 | 115.7 | ||
| 1675 | K | 23.9 | Very low | 34.1 | Very low | 217 Ų | 217 | 149.8 Ų | 149.8 | 94% | 0.943 | 75% | 0.745 | S | S | * | * | trans | 176.2 | 76.3 | 134.7 | -93.5 | 154.4 | -162.6 | -179.7 | 0 | 111.4 | ||||
| 1676 | S | 21.9 | Very low | 31.5 | Very low | 118 Ų | 118 | 156.4 Ų | 156.4 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -144.7 | 80.6 | 161.7 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1677 | S | 23.1 | Very low | 29 | Very low | 116 Ų | 116 | 164.1 Ų | 164.1 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 178.4 | 136.8 | 154.9 | -87.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 1678 | K | 24 | Very low | 27.2 | Very low | 200 Ų | 200 | 165.4 Ų | 165.4 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 85.2 | 79.4 | -179.2 | -53.1 | 177 | 179.5 | 176.1 | 0 | 115.2 | ||
| 1679 | K | 23.6 | Very low | 25.9 | Very low | 212 Ų | 212 | 163.9 Ų | 163.9 | 92% | 0.922 | 82% | 0.822 | S | S | * | * | 172.7 | 71.9 | 125.7 | -91.5 | 165.6 | -177.3 | -177.7 | 0 | 111.1 | |||||
| 1680 | K | 21.6 | Very low | 25.2 | Very low | 212 Ų | 212 | 164.5 Ų | 164.5 | 92% | 0.922 | 83% | 0.828 | S | S | * | * | trans | -131.3 | 88.9 | 156.3 | -100.5 | -175.7 | 178 | 175.4 | 0 | 107.4 | ||||
| 1681 | K | 22.9 | Very low | 24.7 | Very low | 204 Ų | 204 | 166.9 Ų | 166.9 | 89% | 0.887 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -172.2 | 133.5 | 156.1 | -103.4 | 171.2 | -170.9 | -176.1 | 0 | 107.7 | ||
| 1682 | K | 23.4 | Very low | 24.3 | Very low | 205 Ų | 205 | 169.5 Ų | 169.5 | 89% | 0.891 | 85% | 0.845 | S | S | * | * | trans | 85.2 | 73.8 | 176.7 | -57.6 | -176.8 | 175.4 | -178.8 | 0 | 116.8 | ||||
| 1683 | K | 22.7 | Very low | 24.3 | Very low | 213 Ų | 213 | 172.4 Ų | 172.4 | 93% | 0.926 | 84% | 0.84 | S | S | * | * | trans | -137.6 | 82 | 145.1 | -86.4 | -168.5 | 176.1 | -177.8 | 0 | 108.2 | ||||
| 1684 | E | 23.7 | Very low | 24.4 | Very low | 173 Ų | 173 | 176.5 Ų | 176.5 | 81% | 0.808 | 85% | 0.848 | S | S | * | * | trans | -145.6 | 134.9 | 161.9 | -94.4 | -167.6 | -177.9 | 0 | 0 | 108.9 | ||||
| 1685 | K | 25 | Very low | 24.7 | Very low | 189 Ų | 189 | 173 Ų | 173 | 82% | 0.822 | 84% | 0.841 | S | S | * | * | trans | 76.2 | 96.4 | 165 | -59.2 | 176.3 | -175.4 | -179.4 | 0 | 117.6 | ||||
| 1686 | K | 26.7 | Very low | 25.2 | Very low | 217 Ų | 217 | 168.7 Ų | 168.7 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | -157.4 | 105 | 115.9 | -106 | 174.8 | -179.7 | -175.4 | 0 | 108.8 | |||||
| 1687 | K | 23.2 | Very low | 26 | Very low | 182 Ų | 182 | 172.3 Ų | 172.3 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | trans | -87.7 | 157.1 | 163.3 | -102 | -176.7 | 173.1 | -175.4 | 0 | 107.4 | ||||
| 1688 | D | 25.9 | Very low | 26.7 | Very low | 141 Ų | 141 | 175 Ų | 175 | 75% | 0.754 | 83% | 0.829 | S | S | * | * | trans | 77.5 | 107.4 | 161.7 | -46.7 | -29.3 | 0 | 0 | 0 | 115.6 | ||||
| 1689 | T | 28.3 | Very low | 27.6 | Very low | 124 Ų | 124 | 170.5 Ų | 170.5 | 76% | 0.761 | 82% | 0.815 | S | S | * | * | -169.6 | 111 | 106.2 | -46.8 | 0 | 0 | 0 | 0 | 107.9 | Q1691 | T1689-Q1691 HydrophobicContact CG2-CG 4.4Å; T1689-Q1691 PolarHBondContact O-N 3.21Å | |||
| 1690 | D | 23.7 | Very low | 28.6 | Very low | 159 Ų | 159 | 164.6 Ų | 164.6 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -70.3 | 108.1 | 167.1 | -84.1 | -44.9 | 0 | 0 | 0 | 109.1 | ||||
| 1691 | Q | 25.7 | Very low | 29.8 | Very low | 162 Ų | 162 | 157.1 Ų | 157.1 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | trans | -138.7 | 115.1 | 157 | -69.6 | -171.1 | -2.9 | 0 | 0 | 108.5 | T1689 E1693 | T1689-Q1691 HydrophobicContact CG2-CG 4.4Å; T1689-Q1691 PolarHBondContact O-N 3.21Å; Q1691-E1693 PolarHBondContact O-N 2.89Å | ||
| 1692 | S | 23.5 | Very low | 31.2 | Very low | 121 Ų | 121 | 153.7 Ų | 153.7 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -69.5 | 108 | 175.9 | -57.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1693 | E | 27.3 | Very low | 32.5 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | -104.2 | 122.7 | 163.6 | -71.6 | -176.6 | 167.3 | 0 | 0 | 108 | Q1691 V1695 | Q1691-E1693 PolarHBondContact O-N 2.89Å; E1693-V1695 PolarHBondContact O-N 3.44Å | ||
| 1694 | E | 26.4 | Very low | 33.9 | Very low | 190 Ų | 190 | 141.6 Ų | 141.6 | 89% | 0.888 | 69% | 0.691 | S | S | * | * | trans | -53.9 | 123 | 168.6 | -78 | 175.7 | 137.6 | 0 | 0 | 108.3 | D1696 | E1694-D1696 PolarHBondContact O-N 2.79Š| ||
| 1695 | V | 31.4 | Very low | 35.1 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 66% | 0.655 | 67% | 0.667 | S | S | * | * | trans | -69.7 | 100 | -175.9 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | E1693 K1697 | E1693-V1695 PolarHBondContact O-N 3.44Å; V1695-K1697 PolarHBondContact O-N 2.87Å | ||
| 1696 | D | 35.9 | Very low | 36.4 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 68% | 0.679 | 65% | 0.652 | S | S | * | * | trans | -51 | 126.1 | 167 | -82.6 | -37.4 | 0 | 0 | 0 | 109.6 | E1694 E1698 N1699 | E1694-D1696 PolarHBondContact O-N 2.79Å; D1696-E1698 PolarHBondContact O-N 2.82Å; D1696-N1699 PolarHBondContact O-N 2.81Å; D1696-N1699 VanDerWaalsContact O-N 3.09Å | ||
| 1697 | K | 37.2 | Very low | 37.4 | Very low | 193 Ų | 193 | 125 Ų | 125 | 84% | 0.839 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -17.2 | -170.5 | -74.4 | 174.4 | 174.7 | 173.3 | 0 | 114.6 | V1695 F1700 | V1695-K1697 PolarHBondContact O-N 2.87Å; K1697-F1700 WeakPolarHBondContact O-CB 3.47Å; K1697-F1700 PolarHBondContact O-N 3.09Å |
| 1698 | E | 38.6 | Very low | 38.7 | Very low | 174 Ų | 174 | 116.9 Ų | 116.9 | 81% | 0.813 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.9 | -30.6 | 179.1 | -66.7 | -172.6 | 162.2 | 0 | 0 | 112.8 | D1696 F1700 | D1696-E1698 PolarHBondContact O-N 2.82Å; E1698-F1700 PolarHBondContact O-N 2.76Å |
| 1699 | N | 42.3 | Very low | 39.9 | Very low | 104 Ų | 104 | 115.7 Ų | 115.7 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -74.4 | -12.4 | 176.9 | -76.5 | -25.2 | 0 | 0 | 0 | 113.6 | D1696 Y1703 | D1696-N1699 PolarHBondContact O-N 2.81Å; D1696-N1699 VanDerWaalsContact O-N 3.09Å; N1699-Y1703 WeakPolarHBondContact O-CB 3.13Å; N1699-Y1703 PolarHBondContact O-N 3.49Å |
| 1700 | F | 44.9 | Very low | 40.9 | Very low | 89 Ų | 89 | 114.8 Ų | 114.8 | 39% | 0.39 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.9 | -38.3 | -178 | -153.7 | -92.3 | 0 | 0 | 0 | 112.2 | F779 K1697 E1698 H1704 | F779-F1700 AromaticContact CE1-CD1 3.99Å; F779-F1700 HydrophobicContact CE1-CD1 3.99Å; F779-F1700 AromaticContact CE1-CE1 3.95Å; F779-F1700 HydrophobicContact CE1-CE1 3.95Å; F779-F1700 HydrophobicContact CZ-CD1 4.21Å; F779-F1700 HydrophobicContact CZ-CE1 4.47Å; K1697-F1700 WeakPolarHBondContact O-CB 3.47Å; K1697-F1700 PolarHBondContact O-N 3.09Å; E1698-F1700 PolarHBondContact O-N 2.76Å; F1700-H1704 AromaticContact CD1-CD2 3.73Å; F1700-H1704 AromaticContact CE1-CD2 3.56Å; F1700-H1704 AromaticContact CE1-NE2 3.41Å; F1700-H1704 WeakPolarHBondContact CE1-NE2 3.29Å; F1700-H1704 AromaticContact CZ-NE2 3.82Å; F1700-H1704 PolarHBondContact O-CD2 2.81Å; F1700-H1704 PolarHBondContact O-N 3.31Å |
| 1701 | L | 46.1 | Very low | 42 | Very low | 55 Ų | 55 | 112 Ų | 112 | 29% | 0.288 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.9 | -44 | -180 | -173 | 65.5 | 0 | 0 | 0 | 111.5 | L777 F779 Y1703 H1704 Q1705 | L777-L1701 HydrophobicContact CD2-CD1 3.55Å; F779-L1701 HydrophobicContact CD2-CD1 4.41Å; F779-L1701 HydrophobicContact CE2-CD1 3.63Å; F779-L1701 HydrophobicContact CZ-CD1 4.46Å; L1701-Y1703 PolarHBondContact O-N 2.86Å; L1701-H1704 PolarHBondContact O-N 3.41Å; L1701-Q1705 WeakPolarHBondContact O-CG 3.35Å; L1701-Q1705 PolarHBondContact O-N 3.16Å |
| 1702 | E | 52.9 | Low | 42.9 | Very low | 131 Ų | 131 | 108.4 Ų | 108.4 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.3 | -40.4 | 177.4 | -74.9 | -165 | 158.9 | 0 | 0 | 112.1 | H1704 Q1705 A1706 | E1702-H1704 VanDerWaalsContact C-N 3.34Å; E1702-H1704 PolarHBondContact O-N 3.4Å; E1702-Q1705 PolarHBondContact O-N 2.82Å; E1702-A1706 WeakPolarHBondContact O-CB 3.36Å; E1702-A1706 PolarHBondContact O-N 3.48Å |
| 1703 | Y | 51.1 | Low | 44.4 | Very low | 137 Ų | 137 | 113.4 Ų | 113.4 | 54% | 0.537 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.6 | -45.3 | 175.2 | 176.9 | -98.5 | 0 | 0 | 0 | 111.9 | N1699 L1701 A1706 R1707 | N1699-Y1703 WeakPolarHBondContact O-CB 3.13Å; N1699-Y1703 PolarHBondContact O-N 3.49Å; L1701-Y1703 PolarHBondContact O-N 2.86Å; Y1703-A1706 PolarHBondContact O-N 3.49Å; Y1703-R1707 WeakPolarHBondContact O-CB 3.38Å; Y1703-R1707 PolarHBondContact O-N 2.83Å |
| 1704 | H | 51.2 | Low | 45.7 | Very low | 27 Ų | 27 | 106 Ų | 106 | 13% | 0.125 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -70.6 | -36.9 | 178.2 | -86 | -84.6 | 0 | 0 | 0 | 113 | L777 F1700 L1701 E1702 R1707 L1708 | L777-H1704 HydrophobicContact CD1-CB 3.83Å; L777-H1704 HydrophobicContact CD2-CB 4.46Å; F1700-H1704 AromaticContact CD1-CD2 3.73Å; F1700-H1704 AromaticContact CE1-CD2 3.56Å; F1700-H1704 AromaticContact CE1-NE2 3.41Å; F1700-H1704 WeakPolarHBondContact CE1-NE2 3.29Å; F1700-H1704 AromaticContact CZ-NE2 3.82Å; F1700-H1704 PolarHBondContact O-CD2 2.81Å; F1700-H1704 PolarHBondContact O-N 3.31Å; L1701-H1704 PolarHBondContact O-N 3.41Å; E1702-H1704 VanDerWaalsContact C-N 3.34Å; E1702-H1704 PolarHBondContact O-N 3.4Å; H1704-R1707 PolarHBondContact O-N 3.05Å; H1704-L1708 WeakPolarHBondContact O-CG 3.29Å; H1704-L1708 PolarHBondContact O-N 3.46Å |
| 1705 | Q | 50.1 | Low | 47.9 | Very low | 66 Ų | 66 | 100.3 Ų | 100.3 | 31% | 0.308 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 172.1 | -77.6 | -177.8 | -8.4 | 0 | 0 | 111.8 | L764 L1701 E1702 R1707 L1708 M1709 | L764-Q1705 VanDerWaalsContact CD1-NE2 3.31Å; L764-Q1705 HydrophobicContact CD2-CG 4.31Å; L1701-Q1705 WeakPolarHBondContact O-CG 3.35Å; L1701-Q1705 PolarHBondContact O-N 3.16Å; E1702-Q1705 PolarHBondContact O-N 2.82Å; Q1705-R1707 VanDerWaalsContact C-N 3.3Å; Q1705-R1707 PolarHBondContact O-N 3Å; Q1705-L1708 PolarHBondContact O-N 3.07Å; Q1705-M1709 WeakPolarHBondContact O-CG 3.46Å; Q1705-M1709 PolarHBondContact O-N 2.76Å |
| 1706 | A | 52.6 | Low | 50.1 | Low | 61 Ų | 61 | 97.7 Ų | 97.7 | 50% | 0.504 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.8 | -36.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1702 Y1703 T1710 | E1702-A1706 WeakPolarHBondContact O-CB 3.36Å; E1702-A1706 PolarHBondContact O-N 3.48Å; Y1703-A1706 PolarHBondContact O-N 3.49Å; A1706-T1710 PolarHBondContact O-N 3.34Å; A1706-T1710 PolarHBondContact O-OG1 2.79Å |
| 1707 | R | 46.6 | Very low | 52.3 | Low | 105 Ų | 105 | 91.9 Ų | 91.9 | 40% | 0.396 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.1 | -38.4 | 175.8 | -153.4 | 170.2 | 88.2 | 169.5 | 5.1 | 112.6 | Y1703 H1704 Q1705 T1710 M1711 | Y1703-R1707 WeakPolarHBondContact O-CB 3.38Å; Y1703-R1707 PolarHBondContact O-N 2.83Å; H1704-R1707 PolarHBondContact O-N 3.05Å; Q1705-R1707 VanDerWaalsContact C-N 3.3Å; Q1705-R1707 PolarHBondContact O-N 3Å; R1707-T1710 WeakPolarHBondContact CA-OG1 3.38Å; R1707-T1710 PolarHBondContact O-N 3.26Å; R1707-T1710 PolarHBondContact O-OG1 3.47Å; R1707-M1711 WeakPolarHBondContact O-CG 3.45Å; R1707-M1711 PolarHBondContact O-N 3.19Å |
| 1708 | L | 50.7 | Low | 54.5 | Low | 10 Ų | 10 | 83.2 Ų | 83.2 | 5% | 0.052 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 174 | -76.1 | 166.9 | 0 | 0 | 0 | 111.6 | N775 L777 H1704 Q1705 T1710 M1711 | N775-L1708 HydrophobicContact CB-CD1 4.48Å; N775-L1708 HydrophobicContact CB-CD2 4.03Å; L777-L1708 HydrophobicContact CB-CD1 4.2Å; L777-L1708 HydrophobicContact CD1-CD1 3.96Å; H1704-L1708 WeakPolarHBondContact O-CG 3.29Å; H1704-L1708 PolarHBondContact O-N 3.46Å; Q1705-L1708 PolarHBondContact O-N 3.07Å; L1708-T1710 PolarHBondContact O-N 3.11Å; L1708-M1711 PolarHBondContact O-N 3.02Å; L1708-M1711 VanDerWaalsContact O-N 3.17Å |
| 1709 | M | 50.7 | Low | 56.7 | Low | 117 Ų | 117 | 75.6 Ų | 75.6 | 58% | 0.576 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.5 | -24.1 | 177.1 | -77.1 | -69.4 | -149.7 | 0 | 0 | 113.8 | Q1705 | Q1705-M1709 WeakPolarHBondContact O-CG 3.46Å; Q1705-M1709 PolarHBondContact O-N 2.76Å |
| 1710 | T | 49.3 | Very low | 58.7 | Low | 105 Ų | 105 | 74 Ų | 74 | 64% | 0.644 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -87.2 | -15.3 | 177.1 | 34.2 | 0 | 0 | 0 | 0 | 113.6 | A1706 R1707 L1708 S1712 | A1706-T1710 PolarHBondContact O-N 3.34Å; A1706-T1710 PolarHBondContact O-OG1 2.79Å; R1707-T1710 WeakPolarHBondContact CA-OG1 3.38Å; R1707-T1710 PolarHBondContact O-N 3.26Å; R1707-T1710 PolarHBondContact O-OG1 3.47Å; L1708-T1710 PolarHBondContact O-N 3.11Å; T1710-S1712 VanDerWaalsContact C-N 3.29Å; T1710-S1712 PolarHBondContact O-N 3.04Å |
| 1711 | M | 46.5 | Very low | 60.6 | Low | 99 Ų | 99 | 72.5 Ų | 72.5 | 49% | 0.488 | 36% | 0.36 | S | S | . | . | trans | -78.9 | 69.3 | 178.8 | -71.4 | -78.7 | -117.3 | 0 | 0 | 111.9 | R1707 L1708 R1713 | R1707-M1711 WeakPolarHBondContact O-CG 3.45Å; R1707-M1711 PolarHBondContact O-N 3.19Å; L1708-M1711 PolarHBondContact O-N 3.02Å; L1708-M1711 VanDerWaalsContact O-N 3.17Å; M1711-R1713 VanDerWaalsContact C-N 3.29Å; M1711-R1713 PolarHBondContact O-N 3.11Å | ||
| 1712 | S | 46.1 | Very low | 62.4 | Low | 87 Ų | 87 | 70.7 Ų | 70.7 | 61% | 0.608 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 15.2 | -168.3 | 56.4 | 0 | 0 | 0 | 0 | 117.7 | T1710 | T1710-S1712 VanDerWaalsContact C-N 3.29Å; T1710-S1712 PolarHBondContact O-N 3.04Å |
| 1713 | R | 53.9 | Low | 63.9 | Low | 226 Ų | 226 | 66 Ų | 66 | 85% | 0.853 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142 | 10.8 | -173.1 | -65.5 | -171.2 | 176.6 | -177.8 | -2.8 | 117.3 | M1711 | M1711-R1713 VanDerWaalsContact C-N 3.29Å; M1711-R1713 PolarHBondContact O-N 3.11Å |
| 1714 | G | 55.1 | Low | 65.5 | Low | 14 Ų | 14 | 61.4 Ų | 61.4 | 14% | 0.144 | 32% | 0.316 | C | S | . | . | trans | -94.1 | 141.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | C773 | C773-G1714 WeakPolarHBondContact CB-O 3.45Š| ||
| 1715 | I | 71.7 | Confident | 67.2 | Low | 72 Ų | 72 | 60.9 Ų | 60.9 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -75.8 | -43.3 | 168 | -59.1 | 168 | 0 | 0 | 0 | 109.2 | C773 T774 R1751 E1753 | C773-I1715 WeakPolarHBondContact CA-O 3.23Å; T774-I1715 PolarHBondContact N-O 2.97Å; I1715-R1751 HydrophobicContact CB-CG 4.38Å; I1715-R1751 PolarHBondContact N-O 3.21Å; I1715-E1753 HydrophobicContact CD1-CG 3.82Å; I1715-E1753 HydrophobicContact CG1-CG 4.35Å |
| 1716 | L | 78.5 | Confident | 68.9 | Low | 52 Ų | 52 | 57.8 Ų | 57.8 | 27% | 0.272 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 127.7 | 177.8 | 176.7 | 68.1 | 0 | 0 | 0 | 109.1 | T774 I776 F1749 R1751 | T774-L1716 HydrophobicContact CG2-CD1 4.13Å; T774-L1716 WeakPolarHBondContact O-CA 3.21Å; I776-L1716 HydrophobicContact CD1-CD1 4.2Å; I776-L1716 HydrophobicContact CG1-CD1 4.37Å; L1716-F1749 HydrophobicContact CD2-CD1 4.41Å; L1716-F1749 HydrophobicContact CD2-CE1 4Å; L1716-R1751 HydrophobicContact CB-CB 4.04Å; L1716-R1751 PolarHBondContact N-O 3.19Å; L1716-R1751 PolarHBondContact O-N 3.46Å |
| 1717 | S | 81.4 | Confident | 70.6 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 120.5 | 171.3 | -171.4 | 0 | 0 | 0 | 0 | 108.7 | T774 N775 I776 F1749 | T774-S1717 PolarHBondContact O-N 2.76Å; N775-S1717 CarbonylContact C-O 3.6Å; N775-S1717 WeakPolarHBondContact CA-O 3.28Å; N775-S1717 VanDerWaalsContact OD1-CB 3.27Å; N775-S1717 WeakPolarHBondContact OD1-CB 3.27Å; I776-S1717 PolarHBondContact N-O 3.46Å; S1717-F1749 CarbonylContact C-O 3.58Å; S1717-F1749 WeakPolarHBondContact CA-O 3.24Å |
| 1718 | C | 84.2 | Confident | 72.7 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 7% | 0.068 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.3 | 175.7 | -49.3 | 0 | 0 | 0 | 0 | 109.7 | I776 F1720 N1748 F1749 | I776-C1718 HydrophobicContact CB-CB 4.29Å; I776-C1718 CarbonylContact O-C 3.45Å; I776-C1718 WeakPolarHBondContact O-CA 3.05Å; C1718-F1720 HydrophobicContact CB-CD2 4.12Å; C1718-F1720 HydrophobicContact CB-CE2 3.45Å; C1718-F1720 VanDerWaalsContact CB-CE2 3.45Å; C1718-F1720 HydrophobicContact CB-CZ 4.19Å; C1718-N1748 CarbonylContact O-C 3.58Å; C1718-N1748 WeakPolarHBondContact O-CA 3.47Å; C1718-F1749 HydrophobicContact CB-CB 4.27Å; C1718-F1749 PolarHBondContact N-O 3.34Å; C1718-F1749 PolarHBondContact O-N 2.72Å |
| 1719 | C | 83.9 | Confident | 74.4 | Confident | 15 Ų | 15 | 51.4 Ų | 51.4 | 10% | 0.101 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 108.4 | 177.2 | -63.5 | 0 | 0 | 0 | 0 | 107.6 | I776 L777 A778 L1747 N1748 | I776-C1719 PolarHBondContact O-N 2.8Å; L777-C1719 WeakPolarHBondContact CA-O 3.08Å; L777-C1719 HydrophobicContact CD1-CB 3.98Å; A778-C1719 PolarHBondContact N-O 2.86Å; C1719-L1747 WeakPolarHBondContact CA-O 3.33Å; C1719-N1748 PolarHBondContact SG-OD1 2.99Å; C1719-N1748 VanDerWaalsContact SG-OD1 3.42Å |
| 1720 | F | 84.8 | Confident | 76.1 | Confident | 70 Ų | 70 | 46 Ų | 46 | 31% | 0.307 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.4 | 176.1 | -59.9 | -91.8 | 0 | 0 | 0 | 108.9 | I776 A778 C1718 L1747 | I776-F1720 HydrophobicContact CG2-CZ 4.36Å; A778-F1720 HydrophobicContact CB-CD1 3.61Å; A778-F1720 HydrophobicContact CB-CE1 3.82Å; A778-F1720 WeakPolarHBondContact O-CA 2.77Å; C1718-F1720 HydrophobicContact CB-CD2 4.12Å; C1718-F1720 HydrophobicContact CB-CE2 3.45Å; C1718-F1720 VanDerWaalsContact CB-CE2 3.45Å; C1718-F1720 HydrophobicContact CB-CZ 4.19Å; F1720-L1747 HydrophobicContact CB-CB 4.1Å; F1720-L1747 PolarHBondContact N-O 3.07Å; F1720-L1747 PolarHBondContact O-N 2.93Å |
| 1721 | H | 86 | Confident | 77.6 | Confident | 57 Ų | 57 | 41.6 Ų | 41.6 | 26% | 0.264 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 105.6 | 171.5 | -177.1 | 75.3 | 0 | 0 | 0 | 107.8 | A778 F779 G780 D1744 V1745 | A778-H1721 PolarHBondContact O-N 2.82Å; F779-H1721 WeakPolarHBondContact CA-O 3.3Å; F779-H1721 HydrophobicContact CD1-CB 3.85Å; F779-H1721 HydrophobicContact CE1-CB 4.07Å; G780-H1721 PolarHBondContact N-O 2.81Å; H1721-D1744 IonicContact CE1-OD1 2.85Å; H1721-D1744 PolarHBondContact CE1-OD1 2.93Å; H1721-D1744 IonicContact ND1-OD1 3.78Å; H1721-D1744 IonicContact NE2-OD1 3.79Å; H1721-V1745 WeakPolarHBondContact CA-O 3.41Å |
| 1722 | I | 83.7 | Confident | 78.8 | Confident | 17 Ų | 17 | 41 Ų | 41 | 9% | 0.087 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 111.7 | -175 | -57.1 | 172.7 | 0 | 0 | 0 | 107.2 | M758 N1724 I1725 V1745 | M758-I1722 HydrophobicContact SD-CD1 4.4Å; I1722-N1724 VanDerWaalsContact C-N 3.31Å; I1722-N1724 PolarHBondContact O-N 3.09Å; I1722-I1725 HydrophobicContact CB-CD1 4.06Å; I1722-I1725 HydrophobicContact CB-CG1 3.99Å; I1722-I1725 HydrophobicContact CD1-CD1 3.98Å; I1722-I1725 HydrophobicContact CG2-CD1 4.1Å; I1722-I1725 HydrophobicContact CG2-CG1 3.52Å; I1722-V1745 PolarHBondContact N-O 2.91Å; I1722-V1745 PolarHBondContact O-N 2.81Å |
| 1723 | P | 83.3 | Confident | 79.9 | Confident | 33 Ų | 33 | 40.8 Ų | 40.8 | 21% | 0.214 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | -37.5 | -173.9 | -28.6 | 35.2 | 0 | 0 | 0 | 114.5 | S781 D1744 | S781-P1723 WeakPolarHBondContact O-CD 3.19Å; S781-P1723 WeakPolarHBondContact O-CG 3.33Å; P1723-D1744 WeakPolarHBondContact O-CA 3.09Å; P1723-D1744 PolarHBondContact O-N 3.14Å |
| 1724 | N | 85.1 | Confident | 80.7 | Confident | 40 Ų | 40 | 31.1 Ų | 31.1 | 21% | 0.214 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 121.5 | -177.7 | -71.3 | -48.5 | 0 | 0 | 0 | 109.7 | P782 A784 S785 I1722 L1742 D1743 | P782-N1724 PolarHBondContact O-ND2 3.47Å; A784-N1724 WeakPolarHBondContact CA-O 3.34Å; A784-N1724 HydrophobicContact CB-CB 3.98Å; S785-N1724 PolarHBondContact N-O 2.96Å; I1722-N1724 VanDerWaalsContact C-N 3.31Å; I1722-N1724 PolarHBondContact O-N 3.09Å; N1724-L1742 WeakPolarHBondContact CA-O 3.16Å; N1724-D1743 PolarHBondContact OD1-OD1 3.12Å |
| 1725 | I | 86.4 | Confident | 81.7 | Confident | 17 Ų | 17 | 32.2 Ų | 32.2 | 9% | 0.087 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117 | 171.8 | -59.7 | -179.5 | 0 | 0 | 0 | 109.2 | S785 F787 I1722 V1727 R1741 L1742 V1745 | S785-I1725 CarbonylContact O-C 3.58Å; S785-I1725 WeakPolarHBondContact O-CA 3.25Å; F787-I1725 HydrophobicContact CD2-CG2 3.67Å; F787-I1725 HydrophobicContact CE2-CG2 3.73Å; I1722-I1725 HydrophobicContact CB-CD1 4.06Å; I1722-I1725 HydrophobicContact CB-CG1 3.99Å; I1722-I1725 HydrophobicContact CD1-CD1 3.98Å; I1722-I1725 HydrophobicContact CG2-CD1 4.1Å; I1722-I1725 HydrophobicContact CG2-CG1 3.52Å; I1725-V1727 HydrophobicContact CG2-CG2 4.06Å; I1725-R1741 WeakPolarHBondContact O-CA 3.46Å; I1725-L1742 HydrophobicContact CB-CB 4.27Å; I1725-L1742 HydrophobicContact CB-CD1 4.49Å; I1725-L1742 PolarHBondContact N-O 3.19Å; I1725-L1742 PolarHBondContact O-N 3.11Å; I1725-V1745 HydrophobicContact CB-CG2 4.41Å; I1725-V1745 HydrophobicContact CD1-CB 3.93Å; I1725-V1745 HydrophobicContact CD1-CG1 3.94Å; I1725-V1745 HydrophobicContact CD1-CG2 3.89Å; I1725-V1745 HydrophobicContact CG1-CB 4.43Å; I1725-V1745 HydrophobicContact CG1-CG2 4.07Å |
| 1726 | G | 87 | Confident | 82.2 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 133.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S785 E786 F787 Y1739 F1740 | S785-G1726 PolarHBondContact O-N 3.18Å; E786-G1726 WeakPolarHBondContact CA-O 3.2Å; F787-G1726 PolarHBondContact N-O 2.9Å; G1726-Y1739 WeakPolarHBondContact CA-OH 3.5Å; G1726-F1740 CarbonylContact C-O 3.23Å; G1726-F1740 VanDerWaalsContact CA-O 3.3Å; G1726-F1740 WeakPolarHBondContact CA-O 3.15Å |
| 1727 | V | 88.5 | Confident | 82.6 | Confident | 27 Ų | 27 | 26.9 Ų | 26.9 | 16% | 0.164 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 113.5 | 173.8 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | F787 L789 I1725 Y1739 F1740 | F787-V1727 HydrophobicContact CB-CG2 4.4Å; F787-V1727 CarbonylContact O-C 3.49Å; F787-V1727 WeakPolarHBondContact O-CA 3.33Å; L789-V1727 HydrophobicContact CD1-CG1 3.67Å; L789-V1727 HydrophobicContact CG-CG1 4.31Å; I1725-V1727 HydrophobicContact CG2-CG2 4.06Å; V1727-Y1739 CarbonylContact O-C 3.58Å; V1727-Y1739 WeakPolarHBondContact O-CA 3.27Å; V1727-F1740 HydrophobicContact CB-CB 4.33Å; V1727-F1740 PolarHBondContact N-O 3.1Å; V1727-F1740 PolarHBondContact O-N 3.38Å |
| 1728 | S | 88.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 135.5 | 176 | -175 | 0 | 0 | 0 | 0 | 110.6 | F787 L789 E1736 | F787-S1728 PolarHBondContact O-N 3.42Å; L789-S1728 PolarHBondContact N-O 3.43Å; S1728-E1736 VanDerWaalsContact OG-CD 3.3Å; S1728-E1736 WeakPolarHBondContact OG-CG 3.46Å; S1728-E1736 PolarHBondContact OG-OE1 2.9Å |
| 1729 | I | 87.9 | Confident | 83.2 | Confident | 16 Ų | 16 | 26.3 Ų | 26.3 | 8% | 0.082 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.5 | 175.9 | -58.3 | 178.5 | 0 | 0 | 0 | 109.1 | L789 L1737 I1738 F1740 L1837 F1838 | L789-I1729 WeakPolarHBondContact O-CA 3.42Å; I1729-L1737 PolarHBondContact O-N 2.78Å; I1729-I1738 PolarHBondContact N-O 3.26Å; I1729-F1740 HydrophobicContact CD1-CD2 4.31Å; I1729-F1740 HydrophobicContact CD1-CE2 3.81Å; I1729-L1837 HydrophobicContact CG2-CD1 4.1Å; I1729-L1837 HydrophobicContact CG2-CD2 4.04Å; I1729-F1838 HydrophobicContact CD1-CZ 4.46Å |
| 1730 | V | 85.2 | Confident | 83.4 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 133.7 | -174.7 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | T788 L789 M790 E791 E1735 E1736 V2127 | T788-V1730 HydrophobicContact CG2-CG2 4.07Å; L789-V1730 PolarHBondContact O-N 2.79Å; M790-V1730 CarbonylContact C-O 3.57Å; M790-V1730 WeakPolarHBondContact CA-O 3.17Å; M790-V1730 HydrophobicContact CG-CB 4.05Å; E791-V1730 PolarHBondContact N-O 2.8Å; V1730-E1735 WeakPolarHBondContact CA-O 3.41Å; V1730-E1736 HydrophobicContact CG2-CB 4.48Å; V1730-V2127 HydrophobicContact CG1-CG2 3.97Å |
| 1731 | N | 81.4 | Confident | 83.6 | Confident | 14 Ų | 14 | 27.6 Ų | 27.6 | 8% | 0.075 | 14% | 0.136 | C | C | . | . | trans | -84.7 | 175.9 | 179.2 | 72.4 | 9.5 | 0 | 0 | 0 | 112.9 | L1733 N1734 E1735 L1737 L1837 | N1731-L1733 PolarHBondContact O-N 3.12Å; N1731-L1733 VanDerWaalsContact O-N 3.09Å; N1731-L1733 WeakPolarHBondContact OD1-CA 3.41Å; N1731-L1733 WeakPolarHBondContact OD1-CB 3.26Å; N1731-L1733 PolarHBondContact OD1-N 3.21Å; N1731-N1734 PolarHBondContact O-N 2.72Å; N1731-N1734 PolarHBondContact OD1-N 2.75Å; N1731-E1735 PolarHBondContact N-O 2.78Å; N1731-E1735 PolarHBondContact ND2-OE2 2.77Å; N1731-E1735 WeakPolarHBondContact OD1-CB 3.33Å; N1731-E1735 PolarHBondContact OD1-N 3.4Å; N1731-E1735 PolarHBondContact OD1-O 2.84Å; N1731-L1737 HydrophobicContact CB-CD1 4.06Å; N1731-L1737 HydrophobicContact CB-CG 4.21Å; N1731-L1837 HydrophobicContact CB-CD1 4.18Å | ||
| 1732 | E | 71.1 | Confident | 83.8 | Confident | 85 Ų | 85 | 26.5 Ų | 26.5 | 40% | 0.397 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -18.1 | 175.4 | -85.2 | -174.8 | 147.8 | 0 | 0 | 116 | E791 R795 | E791-E1732 HydrophobicContact CB-CG 4.21Å; E791-E1732 HydrophobicContact CG-CG 4.02Å; E791-E1732 PolarHBondContact OE2-N 2.75Å; R795-E1732 VanDerWaalsContact CZ-CD 3.48Å; R795-E1732 IonicContact CZ-OE1 3.39Å; R795-E1732 IonicContact CZ-OE2 3.35Å; R795-E1732 IonicContact NE-OE1 2.67Å; R795-E1732 IonicContact NH1-OE1 2.8Å; R795-E1732 PolarHBondContact NH1-OE1 2.99Å; R795-E1732 IonicContact NH1-OE2 3.93Å; R795-E1732 IonicContact NH2-OE1 3.11Å; R795-E1732 PolarHBondContact NH2-OE1 3.11Å; R795-E1732 IonicContact NH2-OE2 3.73Å; R795-E1732 PolarHBondContact NH2-OE2 2.86Å |
| 1733 | L | 69.9 | Low | 84 | Confident | 84 Ų | 84 | 28.2 Ų | 28.2 | 44% | 0.44 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 10.3 | 177 | -59.4 | 176.4 | 0 | 0 | 0 | 111.7 | N1731 E1735 | N1731-L1733 PolarHBondContact O-N 3.12Å; N1731-L1733 VanDerWaalsContact O-N 3.09Å; N1731-L1733 WeakPolarHBondContact OD1-CA 3.41Å; N1731-L1733 WeakPolarHBondContact OD1-CB 3.26Å; N1731-L1733 PolarHBondContact OD1-N 3.21Å; L1733-E1735 HydrophobicContact CB-CG 3.99Å; L1733-E1735 PolarHBondContact O-N 3.01Å |
| 1734 | N | 71.4 | Confident | 84.2 | Confident | 23 Ų | 23 | 29.4 Ų | 29.4 | 12% | 0.123 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 55.2 | 27.7 | -171.8 | -64.1 | -18.8 | 0 | 0 | 0 | 112.9 | N1731 V2121 L2125 V2127 | N1731-N1734 PolarHBondContact O-N 2.72Å; N1731-N1734 PolarHBondContact OD1-N 2.75Å; N1734-V2121 HydrophobicContact CB-CG2 4.08Å; N1734-L2125 PolarHBondContact ND2-O 3.18Å; N1734-V2127 HydrophobicContact CB-CG2 4.03Å |
| 1735 | E | 75.5 | Confident | 84.3 | Confident | 36 Ų | 36 | 27.6 Ų | 27.6 | 17% | 0.168 | 14% | 0.136 | C | C | . | . | trans | -88.1 | 124 | 170.9 | -56.7 | 173.8 | 154.9 | 0 | 0 | 109.3 | V1730 N1731 L1733 L1737 K1833 M2120 | V1730-E1735 WeakPolarHBondContact CA-O 3.41Å; N1731-E1735 PolarHBondContact N-O 2.78Å; N1731-E1735 PolarHBondContact ND2-OE2 2.77Å; N1731-E1735 WeakPolarHBondContact OD1-CB 3.33Å; N1731-E1735 PolarHBondContact OD1-N 3.4Å; N1731-E1735 PolarHBondContact OD1-O 2.84Å; L1733-E1735 HydrophobicContact CB-CG 3.99Å; L1733-E1735 PolarHBondContact O-N 3.01Å; E1735-L1737 HydrophobicContact CB-CD2 4.5Å; E1735-L1737 PolarHBondContact O-N 2.88Å; E1735-K1833 IonicContact OE1-NZ 2.96Å; E1735-K1833 IonicContact OE2-NZ 3.08Å; E1735-K1833 PolarHBondContact OE2-NZ 2.84Å; E1735-M2120 HydrophobicContact CG-CE 3.87Å | ||
| 1736 | E | 82.6 | Confident | 84.4 | Confident | 12 Ų | 12 | 27.7 Ų | 27.7 | 6% | 0.056 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 112.5 | 169.9 | -168.9 | 176.8 | -160.8 | 0 | 0 | 109.2 | S1728 V1730 Q1770 R2115 R2118 | S1728-E1736 VanDerWaalsContact OG-CD 3.3Å; S1728-E1736 WeakPolarHBondContact OG-CG 3.46Å; S1728-E1736 PolarHBondContact OG-OE1 2.9Å; V1730-E1736 HydrophobicContact CG2-CB 4.48Å; E1736-Q1770 HydrophobicContact CB-CB 4.01Å; E1736-Q1770 HydrophobicContact CB-CG 4.48Å; E1736-Q1770 HydrophobicContact CG-CB 3.69Å; E1736-Q1770 HydrophobicContact CG-CG 3.75Å; E1736-Q1770 CarbonylContact O-C 3.5Å; E1736-Q1770 WeakPolarHBondContact O-CB 3.37Å; E1736-R2115 IonicContact OE1-CZ 2.8Å; E1736-R2115 IonicContact OE1-NE 2.9Å; E1736-R2115 IonicContact OE1-NH2 3.75Å; E1736-R2115 PolarHBondContact OE1-NH2 3.31Å; E1736-R2118 WeakPolarHBondContact OE2-CB 3.5Å; E1736-R2118 PolarHBondContact OE2-N 3Å |
| 1737 | L | 86.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -49 | -178.1 | -61.6 | -173.9 | 0 | 0 | 0 | 111.2 | I1729 N1731 E1735 Q1770 L1771 L1830 K1833 L1834 L1837 | I1729-L1737 PolarHBondContact O-N 2.78Å; N1731-L1737 HydrophobicContact CB-CD1 4.06Å; N1731-L1737 HydrophobicContact CB-CG 4.21Å; E1735-L1737 HydrophobicContact CB-CD2 4.5Å; E1735-L1737 PolarHBondContact O-N 2.88Å; L1737-Q1770 PolarHBondContact O-N 2.67Å; L1737-L1771 HydrophobicContact CD2-CD2 3.91Å; L1737-L1830 HydrophobicContact CB-CD1 4.16Å; L1737-K1833 HydrophobicContact CD1-CB 4.14Å; L1737-K1833 HydrophobicContact CD2-CB 4.12Å; L1737-K1833 HydrophobicContact CD2-CD 3.68Å; L1737-L1834 HydrophobicContact CD1-CD2 4.44Å; L1737-L1837 HydrophobicContact CD1-CD1 4.18Å |
| 1738 | I | 88 | Confident | 84.5 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.015 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 142.6 | -172 | -63 | -173.7 | 0 | 0 | 0 | 109.8 | I1729 F1740 D1768 F1779 L1830 L1834 | I1729-I1738 PolarHBondContact N-O 3.26Å; I1738-F1740 HydrophobicContact CG2-CD1 4.47Å; I1738-F1740 HydrophobicContact CG2-CD2 3.79Å; I1738-F1740 HydrophobicContact CG2-CE1 4.22Å; I1738-F1740 HydrophobicContact CG2-CE2 3.5Å; I1738-F1740 VanDerWaalsContact CG2-CE2 3.5Å; I1738-F1740 HydrophobicContact CG2-CG 4.29Å; I1738-F1740 HydrophobicContact CG2-CZ 3.75Å; I1738-D1768 WeakPolarHBondContact CA-O 3.18Å; I1738-D1768 WeakPolarHBondContact CG2-O 3.3Å; I1738-F1779 HydrophobicContact CB-CE1 4.48Å; I1738-F1779 HydrophobicContact CD1-CD1 4.29Å; I1738-F1779 HydrophobicContact CD1-CE1 3.8Å; I1738-F1779 HydrophobicContact CD1-CE2 4.34Å; I1738-F1779 HydrophobicContact CD1-CZ 3.82Å; I1738-F1779 HydrophobicContact CG1-CE1 4.27Å; I1738-F1779 HydrophobicContact CG2-CD1 4.24Å; I1738-F1779 HydrophobicContact CG2-CE1 3.45Å; I1738-F1779 VanDerWaalsContact CG2-CE1 3.45Å; I1738-F1779 HydrophobicContact CG2-CZ 4.13Å; I1738-L1830 HydrophobicContact CD1-CD1 4.15Å; I1738-L1830 HydrophobicContact CD1-CD2 4.06Å; I1738-L1830 HydrophobicContact CD1-CG 4.38Å; I1738-L1830 HydrophobicContact CG1-CD1 3.84Å; I1738-L1830 HydrophobicContact CG1-CD2 4.18Å; I1738-L1830 HydrophobicContact CG1-CG 4.49Å; I1738-L1834 HydrophobicContact CD1-CD1 3.73Å; I1738-L1834 HydrophobicContact CD1-CD2 3.54Å; I1738-L1834 HydrophobicContact CD1-CG 4.05Å; I1738-L1834 HydrophobicContact CG1-CD2 4.25Å |
| 1739 | Y | 89.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 121.3 | 166.2 | -178.1 | -104.3 | 0 | 0 | 0 | 109.8 | G1726 V1727 R1741 G1767 D1768 L2114 R2115 | G1726-Y1739 WeakPolarHBondContact CA-OH 3.5Å; V1727-Y1739 CarbonylContact O-C 3.58Å; V1727-Y1739 WeakPolarHBondContact O-CA 3.27Å; Y1739-R1741 HydrophobicContact CE1-CB 4.42Å; Y1739-G1767 WeakPolarHBondContact O-CA 3.46Å; Y1739-D1768 PolarHBondContact N-O 3.18Å; Y1739-D1768 PolarHBondContact O-N 2.69Å; Y1739-L2114 HydrophobicContact CD1-CD1 4.25Å; Y1739-L2114 HydrophobicContact CE1-CB 4.45Å; Y1739-L2114 HydrophobicContact CE1-CD1 4.34Å; Y1739-R2115 HydrophobicContact CD1-CG 4.3Å; Y1739-R2115 HydrophobicContact CE1-CG 4.37Å; Y1739-R2115 VanDerWaalsContact CE2-CZ 3.45Å |
| 1740 | F | 88.8 | Confident | 84.4 | Confident | 49 Ų | 49 | 34.1 Ų | 34.1 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 142.5 | 171 | -67.1 | -76.6 | 0 | 0 | 0 | 110.6 | G1726 V1727 I1729 I1738 Q1766 F1779 L1780 | G1726-F1740 CarbonylContact C-O 3.23Å; G1726-F1740 VanDerWaalsContact CA-O 3.3Å; G1726-F1740 WeakPolarHBondContact CA-O 3.15Å; V1727-F1740 HydrophobicContact CB-CB 4.33Å; V1727-F1740 PolarHBondContact N-O 3.1Å; V1727-F1740 PolarHBondContact O-N 3.38Å; I1729-F1740 HydrophobicContact CD1-CD2 4.31Å; I1729-F1740 HydrophobicContact CD1-CE2 3.81Å; I1738-F1740 HydrophobicContact CG2-CD1 4.47Å; I1738-F1740 HydrophobicContact CG2-CD2 3.79Å; I1738-F1740 HydrophobicContact CG2-CE1 4.22Å; I1738-F1740 HydrophobicContact CG2-CE2 3.5Å; I1738-F1740 VanDerWaalsContact CG2-CE2 3.5Å; I1738-F1740 HydrophobicContact CG2-CG 4.29Å; I1738-F1740 HydrophobicContact CG2-CZ 3.75Å; F1740-Q1766 CarbonylContact C-O 3.53Å; F1740-Q1766 VanDerWaalsContact CA-O 3.31Å; F1740-Q1766 WeakPolarHBondContact CA-O 3.44Å; F1740-F1779 AromaticContact CE1-CE1 3.79Å; F1740-F1779 HydrophobicContact CE1-CE1 3.79Å; F1740-F1779 AromaticContact CE1-CZ 3.52Å; F1740-F1779 HydrophobicContact CE1-CZ 3.52Å; F1740-F1779 HydrophobicContact CZ-CE1 4.02Å; F1740-F1779 AromaticContact CZ-CZ 3.59Å; F1740-F1779 HydrophobicContact CZ-CZ 3.59Å; F1740-L1780 HydrophobicContact CE1-CD2 3.88Å |
| 1741 | R | 89.5 | Confident | 84.2 | Confident | 63 Ų | 63 | 38.6 Ų | 38.6 | 24% | 0.238 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.1 | 163.1 | -175.1 | 179.9 | -70.2 | 177.4 | -0.6 | 108.8 | I1725 Y1739 D1743 I1765 Q1766 L2114 | I1725-R1741 WeakPolarHBondContact O-CA 3.46Å; Y1739-R1741 HydrophobicContact CE1-CB 4.42Å; R1741-D1743 WeakPolarHBondContact CD-OD1 3.46Å; R1741-D1743 VanDerWaalsContact CG-OD1 3.3Å; R1741-D1743 WeakPolarHBondContact CG-OD1 3.23Å; R1741-I1765 WeakPolarHBondContact O-CA 3.42Å; R1741-Q1766 PolarHBondContact N-O 3.38Å; R1741-Q1766 PolarHBondContact O-N 3.03Å; R1741-L2114 HydrophobicContact CB-CD1 3.77Å; R1741-L2114 VanDerWaalsContact CZ-CD2 3.48Å; R1741-L2114 VanDerWaalsContact NH1-CD2 3.27Å |
| 1742 | L | 89.9 | Confident | 83.8 | Confident | 35 Ų | 35 | 39.5 Ų | 39.5 | 18% | 0.183 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 112.8 | 171.9 | -52.8 | 176.9 | 0 | 0 | 0 | 107.3 | N1724 I1725 V1745 V1762 G1764 I1765 | N1724-L1742 WeakPolarHBondContact CA-O 3.16Å; I1725-L1742 HydrophobicContact CB-CB 4.27Å; I1725-L1742 HydrophobicContact CB-CD1 4.49Å; I1725-L1742 PolarHBondContact N-O 3.19Å; I1725-L1742 PolarHBondContact O-N 3.11Å; L1742-V1745 HydrophobicContact CB-CG2 3.51Å; L1742-V1745 HydrophobicContact CD1-CG2 4.43Å; L1742-V1762 HydrophobicContact CB-CG1 3.82Å; L1742-V1762 HydrophobicContact CD2-CG1 4.18Å; L1742-G1764 WeakPolarHBondContact CA-O 3.41Å; L1742-I1765 HydrophobicContact CD2-CB 4.42Å; L1742-I1765 HydrophobicContact CD2-CD1 4.21Å; L1742-I1765 HydrophobicContact CD2-CG1 3.83Å; L1742-I1765 HydrophobicContact CD2-CG2 4.06Å |
| 1743 | D | 87.3 | Confident | 83.7 | Confident | 53 Ų | 53 | 43.6 Ų | 43.6 | 28% | 0.283 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 131.7 | 179.9 | -56.1 | -40.7 | 0 | 0 | 0 | 109.4 | N1724 R1741 F1763 G1764 | N1724-D1743 PolarHBondContact OD1-OD1 3.12Å; R1741-D1743 WeakPolarHBondContact CD-OD1 3.46Å; R1741-D1743 VanDerWaalsContact CG-OD1 3.3Å; R1741-D1743 WeakPolarHBondContact CG-OD1 3.23Å; D1743-F1763 PolarHBondContact O-N 3.41Å; D1743-G1764 PolarHBondContact N-O 2.83Å; D1743-G1764 PolarHBondContact O-N 2.93Å; D1743-G1764 VanDerWaalsContact O-N 3.16Å |
| 1744 | D | 86.9 | Confident | 83.7 | Confident | 58 Ų | 58 | 49 Ų | 49 | 31% | 0.31 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.4 | 77.8 | 179.2 | -163.6 | -1.7 | 0 | 0 | 0 | 112.8 | H1721 P1723 F1763 | H1721-D1744 IonicContact CE1-OD1 2.85Å; H1721-D1744 PolarHBondContact CE1-OD1 2.93Å; H1721-D1744 IonicContact ND1-OD1 3.78Å; H1721-D1744 IonicContact NE2-OD1 3.79Å; P1723-D1744 WeakPolarHBondContact O-CA 3.09Å; P1723-D1744 PolarHBondContact O-N 3.14Å; D1744-F1763 HydrophobicContact CB-CB 4.12Å; D1744-F1763 HydrophobicContact CB-CD2 3.86Å; D1744-F1763 HydrophobicContact CB-CG 4.37Å; D1744-F1763 WeakPolarHBondContact O-CD2 3.28Å; D1744-F1763 PolarHBondContact O-N 3.29Å |
| 1745 | V | 87.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 111.1 | -177 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | H1721 I1722 I1725 L1742 L1747 M1760 V1762 | H1721-V1745 WeakPolarHBondContact CA-O 3.41Å; I1722-V1745 PolarHBondContact N-O 2.91Å; I1722-V1745 PolarHBondContact O-N 2.81Å; I1725-V1745 HydrophobicContact CB-CG2 4.41Å; I1725-V1745 HydrophobicContact CD1-CB 3.93Å; I1725-V1745 HydrophobicContact CD1-CG1 3.94Å; I1725-V1745 HydrophobicContact CD1-CG2 3.89Å; I1725-V1745 HydrophobicContact CG1-CB 4.43Å; I1725-V1745 HydrophobicContact CG1-CG2 4.07Å; L1742-V1745 HydrophobicContact CB-CG2 3.51Å; L1742-V1745 HydrophobicContact CD1-CG2 4.43Å; V1745-L1747 HydrophobicContact CG1-CD1 3.83Å; V1745-L1747 HydrophobicContact CG1-CG 3.86Å; V1745-M1760 HydrophobicContact CG1-CG 4.43Å; V1745-V1762 HydrophobicContact CG1-CG2 4.38Å; V1745-V1762 HydrophobicContact CG2-CG1 4.26Å; V1745-V1762 HydrophobicContact CG2-CG2 4.19Å |
| 1746 | A | 88.9 | Confident | 84.5 | Confident | 19 Ų | 19 | 47.8 Ų | 47.8 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | M1760 E1761 | A1746-M1760 WeakPolarHBondContact O-CA 3.4Å; A1746-E1761 PolarHBondContact N-O 3.04Å; A1746-E1761 PolarHBondContact O-N 2.92Å |
| 1747 | L | 88.6 | Confident | 84.7 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 117.7 | -178.9 | -79.8 | 160.1 | 0 | 0 | 0 | 109.7 | C1719 F1720 V1745 L1758 M1760 | C1719-L1747 WeakPolarHBondContact CA-O 3.33Å; F1720-L1747 HydrophobicContact CB-CB 4.1Å; F1720-L1747 PolarHBondContact N-O 3.07Å; F1720-L1747 PolarHBondContact O-N 2.93Å; V1745-L1747 HydrophobicContact CG1-CD1 3.83Å; V1745-L1747 HydrophobicContact CG1-CG 3.86Å; L1747-L1758 HydrophobicContact CD2-CD1 4.24Å; L1747-M1760 HydrophobicContact CD2-CB 3.61Å; L1747-M1760 HydrophobicContact CD2-CG 3.45Å; L1747-M1760 VanDerWaalsContact CD2-CG 3.45Å; L1747-M1760 HydrophobicContact CD2-SD 3.75Å; L1747-M1760 HydrophobicContact CG-CG 4.04Å |
| 1748 | N | 88.8 | Confident | 84.9 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116.5 | 174.8 | -60.8 | -64.9 | 0 | 0 | 0 | 109.5 | C1718 C1719 L1758 D1759 | C1718-N1748 CarbonylContact O-C 3.58Å; C1718-N1748 WeakPolarHBondContact O-CA 3.47Å; C1719-N1748 PolarHBondContact SG-OD1 2.99Å; C1719-N1748 VanDerWaalsContact SG-OD1 3.42Å; N1748-L1758 WeakPolarHBondContact O-CA 3.41Å; N1748-D1759 HydrophobicContact CB-CB 4.47Å; N1748-D1759 PolarHBondContact N-O 2.67Å; N1748-D1759 PolarHBondContact O-N 2.94Å |
| 1749 | F | 89.1 | Confident | 85.1 | Confident | 56 Ų | 56 | 55.1 Ų | 55.1 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.5 | 173.5 | 177.8 | -105.7 | 0 | 0 | 0 | 110.1 | L1716 S1717 C1718 R1751 K1757 L1758 W1803 | L1716-F1749 HydrophobicContact CD2-CD1 4.41Å; L1716-F1749 HydrophobicContact CD2-CE1 4Å; S1717-F1749 CarbonylContact C-O 3.58Å; S1717-F1749 WeakPolarHBondContact CA-O 3.24Å; C1718-F1749 HydrophobicContact CB-CB 4.27Å; C1718-F1749 PolarHBondContact N-O 3.34Å; C1718-F1749 PolarHBondContact O-N 2.72Å; F1749-R1751 HydrophobicContact CE1-CB 4.2Å; F1749-R1751 HydrophobicContact CZ-CB 4.34Å; F1749-K1757 CarbonylContact C-O 3.57Å; F1749-K1757 WeakPolarHBondContact CA-O 3.44Å; F1749-K1757 WeakPolarHBondContact CD2-O 3.33Å; F1749-L1758 HydrophobicContact CB-CD1 4.34Å; F1749-L1758 HydrophobicContact CD2-CB 4.42Å; F1749-L1758 HydrophobicContact CD2-CD1 4.48Å; F1749-W1803 HydrophobicContact CD2-CH2 4.26Å; F1749-W1803 AromaticContact CE2-CH2 3.66Å; F1749-W1803 HydrophobicContact CE2-CH2 3.66Å; F1749-W1803 HydrophobicContact CE2-CZ2 4.16Å |
| 1750 | L | 85.2 | Confident | 85.2 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 118.7 | 177.6 | 177.4 | 69.1 | 0 | 0 | 0 | 110.1 | T1752 N1756 K1757 | L1750-T1752 HydrophobicContact CD2-CG2 4.21Å; L1750-T1752 HydrophobicContact CG-CG2 4.14Å; L1750-N1756 CarbonylContact O-C 3.56Å; L1750-N1756 WeakPolarHBondContact O-CA 3.49Å; L1750-K1757 HydrophobicContact CB-CB 4.39Å; L1750-K1757 PolarHBondContact N-O 3.48Å; L1750-K1757 PolarHBondContact O-N 2.85Å |
| 1751 | R | 82.7 | Confident | 85.3 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 36% | 0.362 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121 | 168.9 | 177.9 | 68.5 | 175.9 | 171.1 | -0.8 | 109.4 | I1715 L1716 F1749 N1756 | I1715-R1751 HydrophobicContact CB-CG 4.38Å; I1715-R1751 PolarHBondContact N-O 3.21Å; L1716-R1751 HydrophobicContact CB-CB 4.04Å; L1716-R1751 PolarHBondContact N-O 3.19Å; L1716-R1751 PolarHBondContact O-N 3.46Å; F1749-R1751 HydrophobicContact CE1-CB 4.2Å; F1749-R1751 HydrophobicContact CZ-CB 4.34Å; R1751-N1756 WeakPolarHBondContact CD-OD1 3.46Å; R1751-N1756 PolarHBondContact NE-OD1 2.9Å; R1751-N1756 PolarHBondContact NH1-ND2 2.76Å; R1751-N1756 PolarHBondContact NH1-OD1 2.9Å |
| 1752 | T | 71.8 | Confident | 85.4 | Confident | 33 Ų | 33 | 55.2 Ų | 55.2 | 20% | 0.202 | 26% | 0.261 | C | S | . | . | trans | -111.5 | 172.6 | 166.8 | 63.7 | 0 | 0 | 0 | 0 | 109.6 | L1750 R1754 L1755 | L1750-T1752 HydrophobicContact CD2-CG2 4.21Å; L1750-T1752 HydrophobicContact CG-CG2 4.14Å; T1752-R1754 PolarHBondContact O-N 2.99Å; T1752-L1755 PolarHBondContact N-O 2.79Å; T1752-L1755 PolarHBondContact OG1-N 2.89Å; T1752-L1755 PolarHBondContact OG1-O 2.72Å | ||
| 1753 | E | 68.8 | Low | 85.3 | Confident | 172 Ų | 172 | 56.4 Ų | 56.4 | 80% | 0.804 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -59 | -28.4 | 174.1 | -72.1 | -174.1 | 177.5 | 0 | 0 | 113.1 | I1715 | I1715-E1753 HydrophobicContact CD1-CG 3.82Å; I1715-E1753 HydrophobicContact CG1-CG 4.35Å |
| 1754 | R | 69.4 | Low | 85.3 | Confident | 198 Ų | 198 | 54.3 Ų | 54.3 | 75% | 0.747 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -107.2 | -22.8 | -173.4 | -61.1 | -173.3 | -176.9 | -175.8 | -1.4 | 114.5 | T1752 R1804 | T1752-R1754 PolarHBondContact O-N 2.99Å; R1754-R1804 VanDerWaalsContact O-CD 3.32Å; R1754-R1804 WeakPolarHBondContact O-CD 3.33Å; R1754-R1804 WeakPolarHBondContact O-CG 3.41Å |
| 1755 | L | 77.1 | Confident | 85.4 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 12% | 0.115 | 25% | 0.245 | C | C | . | . | trans | -151.9 | 144.1 | -167.3 | -172.2 | 70.1 | 0 | 0 | 0 | 112.7 | T1752 K1757 H1802 R1804 Q1813 | T1752-L1755 PolarHBondContact N-O 2.79Å; T1752-L1755 PolarHBondContact OG1-N 2.89Å; T1752-L1755 PolarHBondContact OG1-O 2.72Å; L1755-K1757 HydrophobicContact CD2-CD 4.24Å; L1755-K1757 HydrophobicContact CD2-CG 3.88Å; L1755-K1757 HydrophobicContact CG-CG 4.23Å; L1755-H1802 HydrophobicContact CD1-CB 4.38Å; L1755-R1804 HydrophobicContact CD1-CB 4.48Å; L1755-Q1813 HydrophobicContact CD1-CG 4.27Å; L1755-Q1813 VanDerWaalsContact CD1-OE1 3.26Å | ||
| 1756 | N | 87.1 | Confident | 85.4 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.053 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 137.9 | 162.9 | -65.2 | -40.8 | 0 | 0 | 0 | 110.7 | L1750 R1751 H1802 W1803 | L1750-N1756 CarbonylContact O-C 3.56Å; L1750-N1756 WeakPolarHBondContact O-CA 3.49Å; R1751-N1756 WeakPolarHBondContact CD-OD1 3.46Å; R1751-N1756 PolarHBondContact NE-OD1 2.9Å; R1751-N1756 PolarHBondContact NH1-ND2 2.76Å; R1751-N1756 PolarHBondContact NH1-OD1 2.9Å; N1756-H1802 CarbonylContact O-C 3.58Å; N1756-H1802 VanDerWaalsContact O-CA 3.28Å; N1756-H1802 WeakPolarHBondContact O-CA 3.32Å; N1756-W1803 HydrophobicContact CB-CD2 3.47Å; N1756-W1803 VanDerWaalsContact CB-CD2 3.47Å; N1756-W1803 VanDerWaalsContact CB-CE2 3.41Å; N1756-W1803 HydrophobicContact CB-CE3 3.62Å; N1756-W1803 HydrophobicContact CB-CG 4.16Å; N1756-W1803 HydrophobicContact CB-CH2 3.76Å; N1756-W1803 HydrophobicContact CB-CZ2 3.57Å; N1756-W1803 HydrophobicContact CB-CZ3 3.76Å; N1756-W1803 WeakPolarHBondContact CB-O 3.32Å; N1756-W1803 PolarHBondContact N-O 2.79Å; N1756-W1803 VanDerWaalsContact ND2-CE2 3.27Å; N1756-W1803 PolarHBondContact ND2-NE1 2.93Å; N1756-W1803 PolarHBondContact O-N 3.22Å |
| 1757 | K | 86.9 | Confident | 85.4 | Confident | 76 Ų | 76 | 52.2 Ų | 52.2 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 134.1 | 169.7 | -56.4 | -171.7 | 178.9 | -177.5 | 0 | 109.9 | F1749 L1750 L1755 V1801 H1802 | F1749-K1757 CarbonylContact C-O 3.57Å; F1749-K1757 WeakPolarHBondContact CA-O 3.44Å; F1749-K1757 WeakPolarHBondContact CD2-O 3.33Å; L1750-K1757 HydrophobicContact CB-CB 4.39Å; L1750-K1757 PolarHBondContact N-O 3.48Å; L1750-K1757 PolarHBondContact O-N 2.85Å; L1755-K1757 HydrophobicContact CD2-CD 4.24Å; L1755-K1757 HydrophobicContact CD2-CG 3.88Å; L1755-K1757 HydrophobicContact CG-CG 4.23Å; K1757-V1801 CarbonylContact C-O 3.54Å; K1757-V1801 WeakPolarHBondContact CA-O 3.28Å; K1757-H1802 VanDerWaalsContact CG-CD2 3.5Å; K1757-H1802 WeakPolarHBondContact CG-CD2 3.4Å |
| 1758 | L | 91.8 | Very high | 85.4 | Confident | 49 Ų | 49 | 50.3 Ų | 50.3 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 113 | 169.1 | 175.4 | 68.4 | 0 | 0 | 0 | 107.6 | L1747 N1748 F1749 V1801 W1803 | L1747-L1758 HydrophobicContact CD2-CD1 4.24Å; N1748-L1758 WeakPolarHBondContact O-CA 3.41Å; F1749-L1758 HydrophobicContact CB-CD1 4.34Å; F1749-L1758 HydrophobicContact CD2-CB 4.42Å; F1749-L1758 HydrophobicContact CD2-CD1 4.48Å; L1758-V1801 HydrophobicContact CB-CB 4.33Å; L1758-V1801 PolarHBondContact N-O 2.9Å; L1758-V1801 PolarHBondContact O-N 2.95Å; L1758-W1803 HydrophobicContact CB-CH2 4.18Å; L1758-W1803 HydrophobicContact CB-CZ3 3.74Å |
| 1759 | D | 91.2 | Very high | 85.2 | Confident | 45 Ų | 45 | 48.1 Ų | 48.1 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122 | 173.5 | -65.7 | -43.9 | 0 | 0 | 0 | 108.2 | N1748 L1799 Q1800 H1802 | N1748-D1759 HydrophobicContact CB-CB 4.47Å; N1748-D1759 PolarHBondContact N-O 2.67Å; N1748-D1759 PolarHBondContact O-N 2.94Å; D1759-L1799 WeakPolarHBondContact CA-O 3.45Å; D1759-Q1800 WeakPolarHBondContact OD1-CB 3.34Å; D1759-Q1800 WeakPolarHBondContact OD1-CG 3.33Å; D1759-H1802 IonicContact OD1-NE2 3.93Å |
| 1760 | M | 92.7 | Very high | 85 | Confident | 33 Ų | 33 | 45.6 Ų | 45.6 | 16% | 0.163 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.8 | 177.5 | -177.3 | -177.3 | 78.4 | 0 | 0 | 109.5 | V1745 A1746 L1747 V1762 L1797 L1799 | V1745-M1760 HydrophobicContact CG1-CG 4.43Å; A1746-M1760 WeakPolarHBondContact O-CA 3.4Å; L1747-M1760 HydrophobicContact CD2-CB 3.61Å; L1747-M1760 HydrophobicContact CD2-CG 3.45Å; L1747-M1760 VanDerWaalsContact CD2-CG 3.45Å; L1747-M1760 HydrophobicContact CD2-SD 3.75Å; L1747-M1760 HydrophobicContact CG-CG 4.04Å; M1760-V1762 HydrophobicContact CE-CG2 4.15Å; M1760-V1762 HydrophobicContact CG-CG2 4.17Å; M1760-V1762 HydrophobicContact SD-CG2 4.36Å; M1760-L1797 HydrophobicContact CE-CD2 3.55Å; M1760-L1797 HydrophobicContact CE-CG 4.32Å; M1760-L1799 HydrophobicContact CB-CB 4.16Å; M1760-L1799 HydrophobicContact CB-CD2 4.34Å; M1760-L1799 HydrophobicContact CE-CB 4Å; M1760-L1799 HydrophobicContact CE-CD2 3.73Å; M1760-L1799 PolarHBondContact N-O 3.49Å; M1760-L1799 PolarHBondContact O-N 2.96Å; M1760-L1799 HydrophobicContact SD-CD2 4.46Å |
| 1761 | E | 91.1 | Very high | 84.7 | Confident | 82 Ų | 82 | 44.7 Ų | 44.7 | 38% | 0.383 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.9 | 173.9 | -64.6 | -178.9 | 167.4 | 0 | 0 | 108.4 | A1746 P1795 | A1746-E1761 PolarHBondContact N-O 3.04Å; A1746-E1761 PolarHBondContact O-N 2.92Å; E1761-P1795 HydrophobicContact CB-CB 4.24Å |
| 1762 | V | 90.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124 | 176.2 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | L1742 V1745 M1760 G1764 I1765 P1795 A1796 L1797 | L1742-V1762 HydrophobicContact CB-CG1 3.82Å; L1742-V1762 HydrophobicContact CD2-CG1 4.18Å; V1745-V1762 HydrophobicContact CG1-CG2 4.38Å; V1745-V1762 HydrophobicContact CG2-CG1 4.26Å; V1745-V1762 HydrophobicContact CG2-CG2 4.19Å; M1760-V1762 HydrophobicContact CE-CG2 4.15Å; M1760-V1762 HydrophobicContact CG-CG2 4.17Å; M1760-V1762 HydrophobicContact SD-CG2 4.36Å; V1762-G1764 VanDerWaalsContact CG1-O 3.27Å; V1762-G1764 WeakPolarHBondContact CG1-O 3.4Å; V1762-I1765 HydrophobicContact CG1-CD1 4.47Å; V1762-I1765 HydrophobicContact CG1-CG1 3.86Å; V1762-P1795 CarbonylContact O-C 3.55Å; V1762-A1796 PolarHBondContact O-N 2.72Å; V1762-L1797 HydrophobicContact CB-CB 4.19Å; V1762-L1797 HydrophobicContact CG2-CD2 4.24Å; V1762-L1797 PolarHBondContact N-O 3.15Å; V1762-L1797 PolarHBondContact O-N 3.46Å |
| 1763 | F | 88.3 | Confident | 83.6 | Confident | 60 Ų | 60 | 51.2 Ų | 51.2 | 26% | 0.263 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -27 | -175.2 | -75.9 | -89.1 | 0 | 0 | 0 | 113.7 | D1743 D1744 P1784 F1793 A1796 | D1743-F1763 PolarHBondContact O-N 3.41Å; D1744-F1763 HydrophobicContact CB-CB 4.12Å; D1744-F1763 HydrophobicContact CB-CD2 3.86Å; D1744-F1763 HydrophobicContact CB-CG 4.37Å; D1744-F1763 WeakPolarHBondContact O-CD2 3.28Å; D1744-F1763 PolarHBondContact O-N 3.29Å; F1763-P1784 VanDerWaalsContact O-CD 3.23Å; F1763-P1784 WeakPolarHBondContact O-CD 3.2Å; F1763-F1793 HydrophobicContact CD1-CB 4.17Å; F1763-F1793 HydrophobicContact CE1-CB 3.84Å; F1763-A1796 VanDerWaalsContact O-CB 3.31Å; F1763-A1796 WeakPolarHBondContact O-CB 3.26Å |
| 1764 | G | 87.3 | Confident | 83.6 | Confident | 9 Ų | 9 | 44 Ų | 44 | 9% | 0.093 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 139.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1742 D1743 V1762 | L1742-G1764 WeakPolarHBondContact CA-O 3.41Å; D1743-G1764 PolarHBondContact N-O 2.83Å; D1743-G1764 PolarHBondContact O-N 2.93Å; D1743-G1764 VanDerWaalsContact O-N 3.16Å; V1762-G1764 VanDerWaalsContact CG1-O 3.27Å; V1762-G1764 WeakPolarHBondContact CG1-O 3.4Å |
| 1765 | I | 89.3 | Confident | 83.3 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 8% | 0.077 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125 | 171.9 | -55.5 | 178.2 | 0 | 0 | 0 | 108.8 | R1741 L1742 V1762 L1780 V1782 L1797 L1819 | R1741-I1765 WeakPolarHBondContact O-CA 3.42Å; L1742-I1765 HydrophobicContact CD2-CB 4.42Å; L1742-I1765 HydrophobicContact CD2-CD1 4.21Å; L1742-I1765 HydrophobicContact CD2-CG1 3.83Å; L1742-I1765 HydrophobicContact CD2-CG2 4.06Å; V1762-I1765 HydrophobicContact CG1-CD1 4.47Å; V1762-I1765 HydrophobicContact CG1-CG1 3.86Å; I1765-L1780 HydrophobicContact CG2-CD2 4.25Å; I1765-V1782 HydrophobicContact CB-CB 3.98Å; I1765-V1782 HydrophobicContact CB-CG2 4.04Å; I1765-V1782 HydrophobicContact CG2-CG2 4.41Å; I1765-V1782 PolarHBondContact N-O 2.95Å; I1765-V1782 PolarHBondContact O-N 2.89Å; I1765-L1797 HydrophobicContact CD1-CB 3.6Å; I1765-L1797 HydrophobicContact CD1-CD2 3.94Å; I1765-L1797 HydrophobicContact CD1-CG 4.4Å; I1765-L1819 HydrophobicContact CD1-CD2 4.46Å |
| 1766 | Q | 87.2 | Confident | 82.9 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 9% | 0.089 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.6 | 168.6 | -177.8 | 174.1 | -20.5 | 0 | 0 | 109.7 | F1740 R1741 D1768 L2114 | F1740-Q1766 CarbonylContact C-O 3.53Å; F1740-Q1766 VanDerWaalsContact CA-O 3.31Å; F1740-Q1766 WeakPolarHBondContact CA-O 3.44Å; R1741-Q1766 PolarHBondContact N-O 3.38Å; R1741-Q1766 PolarHBondContact O-N 3.03Å; Q1766-D1768 PolarHBondContact NE2-OD1 2.84Å; Q1766-L2114 HydrophobicContact CB-CD1 4.05Å; Q1766-L2114 HydrophobicContact CG-CD1 3.74Å; Q1766-L2114 HydrophobicContact CG-CG 4.37Å; Q1766-L2114 VanDerWaalsContact NE2-CG 3.34Å |
| 1767 | G | 88 | Confident | 82.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 117.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y1739 F1779 L1780 | Y1739-G1767 WeakPolarHBondContact O-CA 3.46Å; G1767-F1779 VanDerWaalsContact C-CD1 3.42Å; G1767-F1779 WeakPolarHBondContact O-CD1 3.3Å; G1767-F1779 PolarHBondContact O-N 3.18Å; G1767-L1780 PolarHBondContact N-O 2.96Å; G1767-L1780 PolarHBondContact O-N 3.07Å |
| 1768 | D | 87.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 154.8 | 175.6 | -74.8 | 3.2 | 0 | 0 | 0 | 110.2 | I1738 Y1739 Q1766 Q1770 W1777 R2113 L2114 | I1738-D1768 WeakPolarHBondContact CA-O 3.18Å; I1738-D1768 WeakPolarHBondContact CG2-O 3.3Å; Y1739-D1768 PolarHBondContact N-O 3.18Å; Y1739-D1768 PolarHBondContact O-N 2.69Å; Q1766-D1768 PolarHBondContact NE2-OD1 2.84Å; D1768-Q1770 VanDerWaalsContact CB-NE2 3.27Å; D1768-Q1770 PolarHBondContact O-OE1 3.39Å; D1768-W1777 CarbonylContact C-O 3.41Å; D1768-W1777 WeakPolarHBondContact CA-O 3.33Å; D1768-W1777 WeakPolarHBondContact CB-O 3.47Å; D1768-R2113 WeakPolarHBondContact OD2-CG 3.47Å; D1768-L2114 WeakPolarHBondContact OD2-CB 3.4Å; D1768-L2114 WeakPolarHBondContact OD2-CG 3.19Å; D1768-L2114 PolarHBondContact OD2-N 2.69Å |
| 1769 | N | 85.6 | Confident | 81.4 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.011 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 115.9 | 170.1 | 177.6 | 1.8 | 0 | 0 | 0 | 107.9 | L1771 A1774 W1777 F1779 E1827 L1830 | N1769-L1771 WeakPolarHBondContact OD1-CB 3.36Å; N1769-L1771 WeakPolarHBondContact OD1-CG 3.48Å; N1769-L1771 PolarHBondContact OD1-N 2.89Å; N1769-A1774 HydrophobicContact CB-CB 4.37Å; N1769-A1774 WeakPolarHBondContact ND2-CB 3.25Å; N1769-W1777 PolarHBondContact N-O 2.84Å; N1769-F1779 HydrophobicContact CB-CB 4.41Å; N1769-E1827 PolarHBondContact ND2-OE2 3.43Å; N1769-L1830 HydrophobicContact CB-CD2 3.98Å |
| 1770 | Q | 85 | Confident | 81.3 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | trans | -95.3 | 2.1 | -169.7 | -93.7 | 59.5 | 25.3 | 0 | 0 | 113.2 | E1736 L1737 D1768 S2117 | E1736-Q1770 HydrophobicContact CB-CB 4.01Å; E1736-Q1770 HydrophobicContact CB-CG 4.48Å; E1736-Q1770 HydrophobicContact CG-CB 3.69Å; E1736-Q1770 HydrophobicContact CG-CG 3.75Å; E1736-Q1770 CarbonylContact O-C 3.5Å; E1736-Q1770 WeakPolarHBondContact O-CB 3.37Å; L1737-Q1770 PolarHBondContact O-N 2.67Å; D1768-Q1770 VanDerWaalsContact CB-NE2 3.27Å; D1768-Q1770 PolarHBondContact O-OE1 3.39Å; Q1770-S2117 WeakPolarHBondContact O-CB 3.15Å | ||
| 1771 | L | 79 | Confident | 80.9 | Confident | 15 Ų | 15 | 39 Ų | 39 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | trans | -60.1 | 138.4 | 171.3 | -61.7 | 177.7 | 0 | 0 | 0 | 110.7 | L1737 N1769 D1773 A1774 L1830 K1833 | L1737-L1771 HydrophobicContact CD2-CD2 3.91Å; N1769-L1771 WeakPolarHBondContact OD1-CB 3.36Å; N1769-L1771 WeakPolarHBondContact OD1-CG 3.48Å; N1769-L1771 PolarHBondContact OD1-N 2.89Å; L1771-D1773 VanDerWaalsContact C-N 3.3Å; L1771-D1773 PolarHBondContact O-N 3.27Å; L1771-A1774 HydrophobicContact CB-CB 4.41Å; L1771-A1774 WeakPolarHBondContact O-CB 3.29Å; L1771-A1774 PolarHBondContact O-N 3.2Å; L1771-L1830 HydrophobicContact CD1-CB 4.15Å; L1771-L1830 HydrophobicContact CD1-CD1 4.29Å; L1771-K1833 HydrophobicContact CD1-CD 4.31Å; L1771-K1833 HydrophobicContact CD2-CD 3.98Å | ||
| 1772 | Q | 66.6 | Low | 80.8 | Confident | 119 Ų | 119 | 35.3 Ų | 35.3 | 56% | 0.556 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -36.9 | -178 | -67 | -174.9 | 4 | 0 | 0 | 111.9 | ||
| 1773 | D | 65.1 | Low | 80 | Confident | 146 Ų | 146 | 39.8 Ų | 39.8 | 78% | 0.781 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | 20.5 | -177.4 | -52.1 | -35.4 | 0 | 0 | 0 | 113.8 | L1771 N1775 | L1771-D1773 VanDerWaalsContact C-N 3.3Å; L1771-D1773 PolarHBondContact O-N 3.27Å; D1773-N1775 PolarHBondContact O-N 2.99Å |
| 1774 | A | 68.1 | Low | 79.1 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 17% | 0.165 | 20% | 0.195 | C | C | . | . | trans | -66 | 128.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1769 L1771 | N1769-A1774 HydrophobicContact CB-CB 4.37Å; N1769-A1774 WeakPolarHBondContact ND2-CB 3.25Å; L1771-A1774 HydrophobicContact CB-CB 4.41Å; L1771-A1774 WeakPolarHBondContact O-CB 3.29Å; L1771-A1774 PolarHBondContact O-N 3.2Å | ||
| 1775 | N | 63.5 | Low | 77.9 | Confident | 142 Ų | 142 | 38.7 Ų | 38.7 | 76% | 0.759 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -72.2 | -39.5 | 178.4 | -69 | -39.9 | 0 | 0 | 0 | 111.1 | D1773 E1827 | D1773-N1775 PolarHBondContact O-N 2.99Å; N1775-E1827 WeakPolarHBondContact CA-OE1 3.13Å; N1775-E1827 WeakPolarHBondContact CB-OE1 3.42Å; N1775-E1827 PolarHBondContact N-OE1 2.84Å |
| 1776 | S | 67.9 | Low | 76.4 | Confident | 39 Ų | 39 | 44.2 Ų | 44.2 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | trans | -123.9 | 129.1 | 167.9 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | Q1825 E1827 | S1776-Q1825 PolarHBondContact OG-OE1 3.17Å; S1776-E1827 PolarHBondContact N-OE1 3.06Å | ||
| 1777 | W | 73.6 | Confident | 74.7 | Confident | 53 Ų | 53 | 45.2 Ų | 45.2 | 20% | 0.201 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -91.8 | -9.5 | -177.2 | 52.5 | -95 | 0 | 0 | 0 | 113.6 | D1768 N1769 S2110 K2112 R2113 | D1768-W1777 CarbonylContact C-O 3.41Å; D1768-W1777 WeakPolarHBondContact CA-O 3.33Å; D1768-W1777 WeakPolarHBondContact CB-O 3.47Å; N1769-W1777 PolarHBondContact N-O 2.84Å; W1777-S2110 WeakPolarHBondContact CH2-O 3.48Å; W1777-S2110 WeakPolarHBondContact CZ2-O 2.94Å; W1777-K2112 WeakPolarHBondContact CH2-O 3.34Å; W1777-K2112 VanDerWaalsContact CZ2-C 3.41Å; W1777-K2112 WeakPolarHBondContact CZ3-O 3.46Å; W1777-R2113 HydrophobicContact CB-CG 4.4Å; W1777-R2113 HydrophobicContact CD2-CB 3.96Å; W1777-R2113 HydrophobicContact CD2-CG 4.2Å; W1777-R2113 VanDerWaalsContact CE3-CA 3.47Å; W1777-R2113 HydrophobicContact CE3-CB 3.85Å; W1777-R2113 HydrophobicContact CE3-CG 3.88Å; W1777-R2113 HydrophobicContact CG-CB 4.35Å; W1777-R2113 HydrophobicContact CG-CG 4.4Å; W1777-R2113 HydrophobicContact CZ3-CB 4.24Å |
| 1778 | Q | 78.2 | Confident | 72.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 115.2 | 168.4 | -63.1 | -160.7 | 13.2 | 0 | 0 | 109.1 | Q1825 F2109 S2110 | Q1778-Q1825 PolarHBondContact O-OE1 2.82Å; Q1778-Q1825 VanDerWaalsContact O-OE1 3.1Å; Q1778-F2109 HydrophobicContact CB-CD1 3.8Å; Q1778-F2109 HydrophobicContact CB-CE1 4.12Å; Q1778-F2109 HydrophobicContact CG-CD1 4.19Å; Q1778-S2110 VanDerWaalsContact NE2-N 3.15Å |
| 1779 | F | 83.4 | Confident | 71 | Confident | 20 Ų | 20 | 59 Ų | 59 | 9% | 0.088 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -28.6 | 177.3 | 96.3 | -85.4 | 0 | 0 | 0 | 112.1 | I1738 F1740 G1767 N1769 L1824 Q1825 L1830 | I1738-F1779 HydrophobicContact CB-CE1 4.48Å; I1738-F1779 HydrophobicContact CD1-CD1 4.29Å; I1738-F1779 HydrophobicContact CD1-CE1 3.8Å; I1738-F1779 HydrophobicContact CD1-CE2 4.34Å; I1738-F1779 HydrophobicContact CD1-CZ 3.82Å; I1738-F1779 HydrophobicContact CG1-CE1 4.27Å; I1738-F1779 HydrophobicContact CG2-CD1 4.24Å; I1738-F1779 HydrophobicContact CG2-CE1 3.45Å; I1738-F1779 VanDerWaalsContact CG2-CE1 3.45Å; I1738-F1779 HydrophobicContact CG2-CZ 4.13Å; F1740-F1779 AromaticContact CE1-CE1 3.79Å; F1740-F1779 HydrophobicContact CE1-CE1 3.79Å; F1740-F1779 AromaticContact CE1-CZ 3.52Å; F1740-F1779 HydrophobicContact CE1-CZ 3.52Å; F1740-F1779 HydrophobicContact CZ-CE1 4.02Å; F1740-F1779 AromaticContact CZ-CZ 3.59Å; F1740-F1779 HydrophobicContact CZ-CZ 3.59Å; G1767-F1779 VanDerWaalsContact C-CD1 3.42Å; G1767-F1779 WeakPolarHBondContact O-CD1 3.3Å; G1767-F1779 PolarHBondContact O-N 3.18Å; N1769-F1779 HydrophobicContact CB-CB 4.41Å; F1779-L1824 HydrophobicContact CD2-CD1 4.09Å; F1779-L1824 HydrophobicContact CE2-CD1 4.16Å; F1779-L1824 CarbonylContact O-C 3.54Å; F1779-L1824 WeakPolarHBondContact O-CA 3.47Å; F1779-Q1825 WeakPolarHBondContact CB-O 2.84Å; F1779-Q1825 PolarHBondContact O-N 2.98Å; F1779-L1830 HydrophobicContact CB-CD2 4.16Å; F1779-L1830 HydrophobicContact CG-CD2 4.15Å |
| 1780 | L | 88 | Confident | 69 | Low | 31 Ų | 31 | 64.6 Ų | 64.6 | 16% | 0.162 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 133.6 | 179.2 | 177.3 | 68.7 | 0 | 0 | 0 | 110.9 | F1740 I1765 G1767 V1782 V1823 L1824 | F1740-L1780 HydrophobicContact CE1-CD2 3.88Å; I1765-L1780 HydrophobicContact CG2-CD2 4.25Å; G1767-L1780 PolarHBondContact N-O 2.96Å; G1767-L1780 PolarHBondContact O-N 3.07Å; L1780-V1782 HydrophobicContact CD1-CG2 4.04Å; L1780-V1782 HydrophobicContact CD2-CG2 4.47Å; L1780-V1782 HydrophobicContact CG-CG2 4.23Å; L1780-V1823 WeakPolarHBondContact CA-O 3.27Å; L1780-L1824 HydrophobicContact CB-CD1 4.42Å; L1780-L1824 HydrophobicContact CD1-CD1 3.98Å |
| 1781 | K | 85.8 | Confident | 67.3 | Low | 44 Ų | 44 | 73.5 Ų | 73.5 | 19% | 0.191 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 128.2 | 165.4 | -173.7 | 164.9 | -178.4 | 165.1 | 0 | 110.1 | V1823 F2108 | K1781-V1823 PolarHBondContact N-O 2.96Å; K1781-V1823 PolarHBondContact O-N 3.16Å; K1781-F2108 PolarHBondContact NZ-O 2.67Å |
| 1782 | V | 87.3 | Confident | 66.1 | Low | 4 Ų | 4 | 81.1 Ų | 81.1 | 2% | 0.024 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 118.2 | 172.6 | -164.1 | 0 | 0 | 0 | 0 | 107.9 | I1765 L1780 A1796 L1819 R1821 T1822 | I1765-V1782 HydrophobicContact CB-CB 3.98Å; I1765-V1782 HydrophobicContact CB-CG2 4.04Å; I1765-V1782 HydrophobicContact CG2-CG2 4.41Å; I1765-V1782 PolarHBondContact N-O 2.95Å; I1765-V1782 PolarHBondContact O-N 2.89Å; L1780-V1782 HydrophobicContact CD1-CG2 4.04Å; L1780-V1782 HydrophobicContact CD2-CG2 4.47Å; L1780-V1782 HydrophobicContact CG-CG2 4.23Å; V1782-A1796 HydrophobicContact CB-CB 4.23Å; V1782-A1796 HydrophobicContact CG1-CB 3.9Å; V1782-L1819 HydrophobicContact CG1-CD2 4.42Å; V1782-R1821 WeakPolarHBondContact CA-O 3.43Å; V1782-T1822 HydrophobicContact CB-CG2 4.46Å; V1782-T1822 HydrophobicContact CG1-CG2 3.87Å; V1782-T1822 HydrophobicContact CG2-CG2 3.88Å |
| 1783 | H | 75.1 | Confident | 65.9 | Low | 94 Ų | 94 | 82.3 Ų | 82.3 | 44% | 0.435 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 139.9 | -177.8 | -166.8 | -75 | 0 | 0 | 0 | 109.5 | R1821 | H1783-R1821 PolarHBondContact N-O 3.29Å |
| 1784 | P | 69.9 | Low | 66.2 | Low | 14 Ų | 14 | 79 Ų | 79 | 9% | 0.091 | 40% | 0.402 | C | S | . | . | trans | -68.6 | 134.6 | 174.8 | 28.7 | -34.4 | 0 | 0 | 0 | 110.4 | F1763 L1786 Q1794 D1820 | F1763-P1784 VanDerWaalsContact O-CD 3.23Å; F1763-P1784 WeakPolarHBondContact O-CD 3.2Å; P1784-L1786 PolarHBondContact O-N 3.03Å; P1784-Q1794 WeakPolarHBondContact CB-O 3.24Å; P1784-D1820 WeakPolarHBondContact CA-OD2 3.32Å | ||
| 1785 | E | 61.9 | Low | 67 | Low | 32 Ų | 32 | 79.5 Ų | 79.5 | 15% | 0.15 | 40% | 0.404 | C | S | . | . | trans | -62.8 | 128.2 | 167.5 | -79.7 | -179.1 | 170.2 | 0 | 0 | 108.5 | P1787 D1820 R1821 K1876 K1877 | E1785-P1787 WeakPolarHBondContact O-CD 3.18Å; E1785-D1820 PolarHBondContact N-OD2 2.85Å; E1785-R1821 VanDerWaalsContact CG-CD 3.43Å; E1785-R1821 HydrophobicContact CG-CG 3.7Å; E1785-R1821 VanDerWaalsContact CG-CZ 3.42Å; E1785-R1821 IonicContact OE1-CZ 2.8Å; E1785-R1821 IonicContact OE1-NE 3.91Å; E1785-R1821 PolarHBondContact OE1-NE 2.91Å; E1785-R1821 IonicContact OE1-NH2 3.82Å; E1785-R1821 PolarHBondContact OE1-NH2 2.93Å; E1785-K1876 VanDerWaalsContact OE2-CE 3.31Å; E1785-K1876 WeakPolarHBondContact OE2-CE 3.45Å; E1785-K1876 IonicContact OE2-NZ 3.14Å; E1785-K1876 PolarHBondContact OE2-NZ 3.43Å; E1785-K1877 IonicContact OE1-NZ 4Å; E1785-K1877 PolarHBondContact OE1-NZ 2.98Å; E1785-K1877 VanDerWaalsContact OE1-NZ 3.07Å | ||
| 1786 | L | 57.2 | Low | 68.1 | Low | 130 Ų | 130 | 72.7 Ų | 72.7 | 68% | 0.681 | 37% | 0.368 | S | S | * | . | trans | -74.2 | 103.5 | 158.8 | -79.9 | 153.6 | 0 | 0 | 0 | 106.1 | P1784 E1788 F1793 | P1784-L1786 PolarHBondContact O-N 3.03Å; L1786-E1788 PolarHBondContact O-N 2.9Å; L1786-F1793 HydrophobicContact CD2-CD1 4.42Å; L1786-F1793 HydrophobicContact CD2-CE1 3.78Å; L1786-F1793 HydrophobicContact CD2-CZ 4.46Å | ||
| 1787 | P | 52.5 | Low | 69.3 | Low | 40 Ų | 40 | 72 Ų | 72 | 26% | 0.26 | 36% | 0.361 | S | S | . | . | trans | -71.4 | 131 | 175.3 | -6.7 | 27.1 | 0 | 0 | 0 | 107 | E1785 G1789 E1790 | E1785-P1787 WeakPolarHBondContact O-CD 3.18Å; P1787-G1789 PolarHBondContact O-N 2.84Å; P1787-E1790 HydrophobicContact CB-CB 4.24Å; P1787-E1790 HydrophobicContact CB-CG 4.49Å; P1787-E1790 HydrophobicContact CG-CB 4.17Å; P1787-E1790 PolarHBondContact O-N 3.28Å | ||
| 1788 | E | 45.1 | Very low | 70.1 | Confident | 206 Ų | 206 | 70.2 Ų | 70.2 | 96% | 0.963 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 108.4 | 168.8 | -68.4 | 175.9 | 172.8 | 0 | 0 | 108.6 | L1786 | L1786-E1788 PolarHBondContact O-N 2.9Š|
| 1789 | G | 51.4 | Low | 70.9 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 87% | 0.866 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.7 | -5.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 118 | P1787 | P1787-G1789 PolarHBondContact O-N 2.84Š|
| 1790 | E | 45 | Very low | 71.2 | Confident | 119 Ų | 119 | 73.6 Ų | 73.6 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | trans | -100.4 | 126.9 | 172.5 | -72.3 | -166.4 | 164 | 0 | 0 | 112.1 | P1787 K1792 | P1787-E1790 HydrophobicContact CB-CB 4.24Å; P1787-E1790 HydrophobicContact CB-CG 4.49Å; P1787-E1790 HydrophobicContact CG-CB 4.17Å; P1787-E1790 PolarHBondContact O-N 3.28Å; E1790-K1792 VanDerWaalsContact C-N 3.26Å; E1790-K1792 PolarHBondContact O-N 2.71Å | ||
| 1791 | K | 49.4 | Very low | 71.4 | Confident | 190 Ų | 190 | 73.3 Ų | 73.3 | 83% | 0.826 | 37% | 0.374 | S | S | * | . | trans | -77.8 | -3.8 | 175.1 | -68 | -172.1 | 179.3 | -178.5 | 0 | 114 | ||||
| 1792 | K | 53 | Low | 71.5 | Confident | 176 Ų | 176 | 72.4 Ų | 72.4 | 77% | 0.765 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -100.3 | 115.3 | -178.6 | -73.7 | -174.6 | 177.5 | -178 | 0 | 110 | E1790 Q1794 | E1790-K1792 VanDerWaalsContact C-N 3.26Å; E1790-K1792 PolarHBondContact O-N 2.71Å; K1792-Q1794 PolarHBondContact O-N 3.48Å |
| 1793 | F | 61.8 | Low | 71.5 | Confident | 143 Ų | 143 | 74.5 Ų | 74.5 | 63% | 0.627 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 122 | 169.2 | -69.2 | -86.1 | 0 | 0 | 0 | 109.3 | F1763 L1786 | F1763-F1793 HydrophobicContact CD1-CB 4.17Å; F1763-F1793 HydrophobicContact CE1-CB 3.84Å; L1786-F1793 HydrophobicContact CD2-CD1 4.42Å; L1786-F1793 HydrophobicContact CD2-CE1 3.78Å; L1786-F1793 HydrophobicContact CD2-CZ 4.46Å |
| 1794 | Q | 71.8 | Confident | 71.6 | Confident | 76 Ų | 76 | 73 Ų | 73 | 36% | 0.355 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 144.7 | 167.9 | -67.4 | -175.9 | -0.2 | 0 | 0 | 108.4 | P1784 K1792 | P1784-Q1794 WeakPolarHBondContact CB-O 3.24Å; K1792-Q1794 PolarHBondContact O-N 3.48Å |
| 1795 | P | 85.6 | Confident | 71.5 | Confident | 31 Ų | 31 | 77.6 Ų | 77.6 | 20% | 0.201 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 147.2 | 176.4 | 30.3 | -35 | 0 | 0 | 0 | 111.1 | E1761 V1762 L1797 A1798 | E1761-P1795 HydrophobicContact CB-CB 4.24Å; V1762-P1795 CarbonylContact O-C 3.55Å; P1795-L1797 VanDerWaalsContact C-N 3.3Å; P1795-A1798 HydrophobicContact CG-CB 3.98Å |
| 1796 | A | 86.8 | Confident | 71.6 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -63.3 | -37.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1762 F1763 V1782 L1819 D1820 | V1762-A1796 PolarHBondContact O-N 2.72Å; F1763-A1796 VanDerWaalsContact O-CB 3.31Å; F1763-A1796 WeakPolarHBondContact O-CB 3.26Å; V1782-A1796 HydrophobicContact CB-CB 4.23Å; V1782-A1796 HydrophobicContact CG1-CB 3.9Å; A1796-L1819 WeakPolarHBondContact O-CA 3.39Å; A1796-D1820 PolarHBondContact O-N 2.83Å |
| 1797 | L | 91.7 | Very high | 71.5 | Confident | 24 Ų | 24 | 77 Ų | 77 | 13% | 0.126 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 124.9 | 172.5 | 168.6 | 68.2 | 0 | 0 | 0 | 109.8 | M1760 V1762 I1765 P1795 I1817 K1818 L1819 | M1760-L1797 HydrophobicContact CE-CD2 3.55Å; M1760-L1797 HydrophobicContact CE-CG 4.32Å; V1762-L1797 HydrophobicContact CB-CB 4.19Å; V1762-L1797 HydrophobicContact CG2-CD2 4.24Å; V1762-L1797 PolarHBondContact N-O 3.15Å; V1762-L1797 PolarHBondContact O-N 3.46Å; I1765-L1797 HydrophobicContact CD1-CB 3.6Å; I1765-L1797 HydrophobicContact CD1-CD2 3.94Å; I1765-L1797 HydrophobicContact CD1-CG 4.4Å; P1795-L1797 VanDerWaalsContact C-N 3.3Å; L1797-I1817 HydrophobicContact CD1-CG2 4.15Å; L1797-K1818 WeakPolarHBondContact CA-O 3.26Å; L1797-L1819 HydrophobicContact CB-CD2 4.01Å; L1797-L1819 HydrophobicContact CD1-CD2 3.72Å; L1797-L1819 HydrophobicContact CD1-CG 4.31Å; L1797-L1819 HydrophobicContact CG-CD2 4.4Å |
| 1798 | A | 91.7 | Very high | 71.9 | Confident | 16 Ų | 16 | 80.5 Ų | 80.5 | 13% | 0.132 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 118.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | P1795 K1818 | P1795-A1798 HydrophobicContact CG-CB 3.98Å; A1798-K1818 HydrophobicContact CB-CB 4.4Å; A1798-K1818 PolarHBondContact N-O 2.86Å; A1798-K1818 PolarHBondContact O-N 2.92Å |
| 1799 | L | 93.6 | Very high | 72.9 | Confident | 36 Ų | 36 | 71.3 Ų | 71.3 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 121.4 | 175.5 | 170.2 | 70.2 | 0 | 0 | 0 | 109 | D1759 M1760 V1801 L1815 V1816 I1817 | D1759-L1799 WeakPolarHBondContact CA-O 3.45Å; M1760-L1799 HydrophobicContact CB-CB 4.16Å; M1760-L1799 HydrophobicContact CB-CD2 4.34Å; M1760-L1799 HydrophobicContact CE-CB 4Å; M1760-L1799 HydrophobicContact CE-CD2 3.73Å; M1760-L1799 PolarHBondContact N-O 3.49Å; M1760-L1799 PolarHBondContact O-N 2.96Å; M1760-L1799 HydrophobicContact SD-CD2 4.46Å; L1799-V1801 HydrophobicContact CD1-CG2 3.68Å; L1799-V1801 HydrophobicContact CD2-CG2 4.39Å; L1799-V1801 HydrophobicContact CG-CG2 3.93Å; L1799-L1815 HydrophobicContact CD1-CD1 4.26Å; L1799-V1816 WeakPolarHBondContact CA-O 3.49Å; L1799-I1817 HydrophobicContact CD1-CD1 4.49Å; L1799-I1817 HydrophobicContact CD1-CG1 3.83Å |
| 1800 | Q | 91.3 | Very high | 73.9 | Confident | 56 Ų | 56 | 69.9 Ų | 69.9 | 26% | 0.262 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.2 | 173.6 | -57.7 | -177 | -19.3 | 0 | 0 | 109.1 | D1759 L1815 V1816 | D1759-Q1800 WeakPolarHBondContact OD1-CB 3.34Å; D1759-Q1800 WeakPolarHBondContact OD1-CG 3.33Å; Q1800-L1815 CarbonylContact O-C 3.59Å; Q1800-L1815 WeakPolarHBondContact O-CA 3.45Å; Q1800-V1816 HydrophobicContact CB-CB 4.27Å; Q1800-V1816 PolarHBondContact N-O 2.95Å; Q1800-V1816 PolarHBondContact O-N 3.31Å |
| 1801 | V | 91.9 | Very high | 75.3 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 111.7 | 179.4 | -166 | 0 | 0 | 0 | 0 | 109.2 | K1757 L1758 L1799 W1803 L1812 R1814 L1815 | K1757-V1801 CarbonylContact C-O 3.54Å; K1757-V1801 WeakPolarHBondContact CA-O 3.28Å; L1758-V1801 HydrophobicContact CB-CB 4.33Å; L1758-V1801 PolarHBondContact N-O 2.9Å; L1758-V1801 PolarHBondContact O-N 2.95Å; L1799-V1801 HydrophobicContact CD1-CG2 3.68Å; L1799-V1801 HydrophobicContact CD2-CG2 4.39Å; L1799-V1801 HydrophobicContact CG-CG2 3.93Å; V1801-W1803 HydrophobicContact CB-CE3 4.27Å; V1801-W1803 HydrophobicContact CB-CZ3 4.29Å; V1801-W1803 HydrophobicContact CG1-CE3 3.76Å; V1801-W1803 HydrophobicContact CG1-CZ3 4.17Å; V1801-W1803 WeakPolarHBondContact O-CZ3 3.41Å; V1801-L1812 HydrophobicContact CG1-CD2 4.46Å; V1801-R1814 CarbonylContact C-O 3.51Å; V1801-R1814 VanDerWaalsContact CA-O 3.32Å; V1801-R1814 WeakPolarHBondContact CA-O 3.37Å; V1801-L1815 HydrophobicContact CG1-CD1 4.5Å; V1801-L1815 HydrophobicContact CG2-CD1 3.86Å |
| 1802 | H | 87.4 | Confident | 76.8 | Confident | 25 Ų | 25 | 56 Ų | 56 | 12% | 0.116 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 120.9 | 172.1 | -56.8 | 163.6 | 0 | 0 | 0 | 109.1 | L1755 N1756 K1757 D1759 L1812 Q1813 R1814 | L1755-H1802 HydrophobicContact CD1-CB 4.38Å; N1756-H1802 CarbonylContact O-C 3.58Å; N1756-H1802 VanDerWaalsContact O-CA 3.28Å; N1756-H1802 WeakPolarHBondContact O-CA 3.32Å; K1757-H1802 VanDerWaalsContact CG-CD2 3.5Å; K1757-H1802 WeakPolarHBondContact CG-CD2 3.4Å; D1759-H1802 IonicContact OD1-NE2 3.93Å; H1802-L1812 CarbonylContact O-C 3.4Å; H1802-Q1813 HydrophobicContact CB-CB 4.23Å; H1802-Q1813 PolarHBondContact O-N 2.89Å; H1802-R1814 HydrophobicContact CB-CB 3.98Å; H1802-R1814 PolarHBondContact N-O 2.68Å; H1802-R1814 PolarHBondContact O-N 3.13Å |
| 1803 | W | 87.6 | Confident | 78.1 | Confident | 48 Ų | 48 | 51 Ų | 51 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 155.8 | -177.7 | 76.7 | 103.8 | 0 | 0 | 0 | 113.4 | F1749 N1756 L1758 V1801 F1810 D1811 L1812 | F1749-W1803 HydrophobicContact CD2-CH2 4.26Å; F1749-W1803 AromaticContact CE2-CH2 3.66Å; F1749-W1803 HydrophobicContact CE2-CH2 3.66Å; F1749-W1803 HydrophobicContact CE2-CZ2 4.16Å; N1756-W1803 HydrophobicContact CB-CD2 3.47Å; N1756-W1803 VanDerWaalsContact CB-CD2 3.47Å; N1756-W1803 VanDerWaalsContact CB-CE2 3.41Å; N1756-W1803 HydrophobicContact CB-CE3 3.62Å; N1756-W1803 HydrophobicContact CB-CG 4.16Å; N1756-W1803 HydrophobicContact CB-CH2 3.76Å; N1756-W1803 HydrophobicContact CB-CZ2 3.57Å; N1756-W1803 HydrophobicContact CB-CZ3 3.76Å; N1756-W1803 WeakPolarHBondContact CB-O 3.32Å; N1756-W1803 PolarHBondContact N-O 2.79Å; N1756-W1803 VanDerWaalsContact ND2-CE2 3.27Å; N1756-W1803 PolarHBondContact ND2-NE1 2.93Å; N1756-W1803 PolarHBondContact O-N 3.22Å; L1758-W1803 HydrophobicContact CB-CH2 4.18Å; L1758-W1803 HydrophobicContact CB-CZ3 3.74Å; V1801-W1803 HydrophobicContact CB-CE3 4.27Å; V1801-W1803 HydrophobicContact CB-CZ3 4.29Å; V1801-W1803 HydrophobicContact CG1-CE3 3.76Å; V1801-W1803 HydrophobicContact CG1-CZ3 4.17Å; V1801-W1803 WeakPolarHBondContact O-CZ3 3.41Å; W1803-F1810 HydrophobicContact CB-CE1 3.97Å; W1803-F1810 HydrophobicContact CB-CZ 4.01Å; W1803-F1810 AromaticContact CD1-CE2 3.96Å; W1803-F1810 AromaticContact CD1-CZ 3.55Å; W1803-F1810 HydrophobicContact CG-CE1 4.41Å; W1803-F1810 AromaticContact CG-CZ 3.95Å; W1803-F1810 HydrophobicContact CG-CZ 3.95Å; W1803-D1811 CarbonylContact C-O 3.58Å; W1803-D1811 WeakPolarHBondContact CA-O 3.38Å; W1803-L1812 HydrophobicContact CB-CG 4.41Å |
| 1804 | R | 77.4 | Confident | 79.3 | Confident | 63 Ų | 63 | 49 Ų | 49 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 140.2 | 175 | 177.2 | -176.3 | -179.8 | -172.1 | -1.7 | 107.8 | D1656 R1754 L1755 L1806 D1811 | D1656-R1804 IonicContact OD1-NH1 2.7Å; D1656-R1804 PolarHBondContact OD1-NH1 3.38Å; D1656-R1804 IonicContact OD2-NH1 3.96Å; R1754-R1804 VanDerWaalsContact O-CD 3.32Å; R1754-R1804 WeakPolarHBondContact O-CD 3.33Å; R1754-R1804 WeakPolarHBondContact O-CG 3.41Å; L1755-R1804 HydrophobicContact CD1-CB 4.48Å; R1804-L1806 HydrophobicContact CG-CG 4.49Å; R1804-D1811 HydrophobicContact CB-CB 4.16Å; R1804-D1811 PolarHBondContact N-O 3.36Å; R1804-D1811 PolarHBondContact O-N 3.49Å |
| 1805 | I | 67.7 | Low | 80.1 | Confident | 109 Ų | 109 | 47.2 Ų | 47.2 | 56% | 0.559 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 118 | 176.8 | -57.9 | 173.7 | 0 | 0 | 0 | 107.1 | F1810 | I1805-F1810 HydrophobicContact CD1-CE2 4.32Å; I1805-F1810 HydrophobicContact CG1-CD2 4.11Å; I1805-F1810 HydrophobicContact CG1-CE2 3.89Å |
| 1806 | L | 63.1 | Low | 80.4 | Confident | 61 Ų | 61 | 46 Ų | 46 | 32% | 0.319 | 24% | 0.237 | S | C | . | . | trans | -106.4 | 163.6 | 168.8 | -69.9 | 143.5 | 0 | 0 | 0 | 108 | R1804 D1808 L1809 D1811 | R1804-L1806 HydrophobicContact CG-CG 4.49Å; L1806-D1808 PolarHBondContact O-N 3.24Å; L1806-L1809 HydrophobicContact CB-CB 4.25Å; L1806-L1809 WeakPolarHBondContact CB-O 3.49Å; L1806-L1809 HydrophobicContact CD1-CD2 4.14Å; L1806-L1809 PolarHBondContact N-O 3.27Å; L1806-L1809 PolarHBondContact O-N 2.78Å; L1806-L1809 VanDerWaalsContact O-O 3.11Å; L1806-D1811 HydrophobicContact CD1-CB 4.06Å | ||
| 1807 | A | 56.4 | Low | 80.7 | Confident | 90 Ų | 90 | 48.7 Ų | 48.7 | 74% | 0.744 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -49.7 | -51.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 1808 | D | 59.8 | Low | 80.7 | Confident | 112 Ų | 112 | 52.8 Ų | 52.8 | 60% | 0.599 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -116.7 | 3.4 | -179.2 | -65.8 | -42.6 | 0 | 0 | 0 | 113.9 | L1806 | L1806-D1808 PolarHBondContact O-N 3.24Š|
| 1809 | L | 65.8 | Low | 80.7 | Confident | 13 Ų | 13 | 54.2 Ų | 54.2 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 130.1 | -175 | -178.4 | 75.2 | 0 | 0 | 0 | 111.6 | P1390 P1658 L1806 L1865 L1922 | P1390-L1809 HydrophobicContact CG-CD2 4.35Å; P1658-L1809 HydrophobicContact CG-CD2 3.66Å; L1806-L1809 HydrophobicContact CB-CB 4.25Å; L1806-L1809 WeakPolarHBondContact CB-O 3.49Å; L1806-L1809 HydrophobicContact CD1-CD2 4.14Å; L1806-L1809 PolarHBondContact N-O 3.27Å; L1806-L1809 PolarHBondContact O-N 2.78Å; L1806-L1809 VanDerWaalsContact O-O 3.11Å; L1809-L1865 HydrophobicContact CD1-CB 4.15Å; L1809-L1865 WeakPolarHBondContact CD1-O 3.35Å; L1809-L1922 HydrophobicContact CD1-CD1 3.32Å |
| 1810 | F | 72.3 | Confident | 80.4 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 24% | 0.237 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 106.3 | 167.5 | -163.5 | -89.3 | 0 | 0 | 0 | 109.3 | W1803 I1805 L1812 L1865 F1866 Y1867 | W1803-F1810 HydrophobicContact CB-CE1 3.97Å; W1803-F1810 HydrophobicContact CB-CZ 4.01Å; W1803-F1810 AromaticContact CD1-CE2 3.96Å; W1803-F1810 AromaticContact CD1-CZ 3.55Å; W1803-F1810 HydrophobicContact CG-CE1 4.41Å; W1803-F1810 AromaticContact CG-CZ 3.95Å; W1803-F1810 HydrophobicContact CG-CZ 3.95Å; I1805-F1810 HydrophobicContact CD1-CE2 4.32Å; I1805-F1810 HydrophobicContact CG1-CD2 4.11Å; I1805-F1810 HydrophobicContact CG1-CE2 3.89Å; F1810-L1812 HydrophobicContact CD1-CB 4.21Å; F1810-L1812 HydrophobicContact CD1-CD1 4.28Å; F1810-L1812 HydrophobicContact CD1-CG 4.35Å; F1810-L1812 HydrophobicContact CE1-CB 4.28Å; F1810-L1812 HydrophobicContact CE1-CD1 3.87Å; F1810-L1812 HydrophobicContact CE1-CG 3.93Å; F1810-L1865 PolarHBondContact N-O 3.43Å; F1810-F1866 HydrophobicContact CB-CD1 3.74Å; F1810-F1866 HydrophobicContact CB-CE1 3.83Å; F1810-F1866 HydrophobicContact CB-CG 4.2Å; F1810-F1866 HydrophobicContact CB-CZ 4.37Å; F1810-F1866 AromaticContact CD1-CD1 3.46Å; F1810-F1866 HydrophobicContact CD1-CD1 3.46Å; F1810-F1866 VanDerWaalsContact CD1-CD1 3.46Å; F1810-F1866 AromaticContact CD1-CE1 3.51Å; F1810-F1866 HydrophobicContact CD1-CE1 3.51Å; F1810-F1866 HydrophobicContact CD2-CE1 4.44Å; F1810-F1866 HydrophobicContact CE1-CD1 4.32Å; F1810-F1866 HydrophobicContact CE1-CE1 4.14Å; F1810-F1866 AromaticContact CG-CD1 3.84Å; F1810-F1866 HydrophobicContact CG-CD1 3.84Å; F1810-F1866 AromaticContact CG-CE1 3.67Å; F1810-F1866 HydrophobicContact CG-CE1 3.67Å; F1810-F1866 HydrophobicContact CG-CZ 4.47Å; F1810-F1866 CarbonylContact O-C 3.51Å; F1810-F1866 WeakPolarHBondContact O-CA 3.17Å; F1810-Y1867 PolarHBondContact O-N 2.8Å |
| 1811 | D | 75.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 107.1 | 179.3 | 170.4 | 17.9 | 0 | 0 | 0 | 109.6 | W1803 R1804 L1806 Q1813 Y1867 | W1803-D1811 CarbonylContact C-O 3.58Å; W1803-D1811 WeakPolarHBondContact CA-O 3.38Å; R1804-D1811 HydrophobicContact CB-CB 4.16Å; R1804-D1811 PolarHBondContact N-O 3.36Å; R1804-D1811 PolarHBondContact O-N 3.49Å; L1806-D1811 HydrophobicContact CD1-CB 4.06Å; D1811-Q1813 VanDerWaalsContact OD1-CG 3.31Å; D1811-Q1813 WeakPolarHBondContact OD1-CG 3.22Å; D1811-Q1813 PolarHBondContact OD1-N 2.83Å; D1811-Q1813 PolarHBondContact OD2-NE2 3.21Å; D1811-Y1867 VanDerWaalsContact OD1-CD1 3.26Å; D1811-Y1867 WeakPolarHBondContact OD1-CD1 3.45Å |
| 1812 | L | 80.9 | Confident | 79.9 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 79.8 | 179.3 | -140.5 | 170.6 | 0 | 0 | 0 | 109 | V1801 H1802 W1803 F1810 R1814 L1815 Y1867 V1868 G1869 | V1801-L1812 HydrophobicContact CG1-CD2 4.46Å; H1802-L1812 CarbonylContact O-C 3.4Å; W1803-L1812 HydrophobicContact CB-CG 4.41Å; F1810-L1812 HydrophobicContact CD1-CB 4.21Å; F1810-L1812 HydrophobicContact CD1-CD1 4.28Å; F1810-L1812 HydrophobicContact CD1-CG 4.35Å; F1810-L1812 HydrophobicContact CE1-CB 4.28Å; F1810-L1812 HydrophobicContact CE1-CD1 3.87Å; F1810-L1812 HydrophobicContact CE1-CG 3.93Å; L1812-R1814 WeakPolarHBondContact CD2-O 3.5Å; L1812-R1814 PolarHBondContact O-N 3.44Å; L1812-L1815 HydrophobicContact CD1-CD2 4.27Å; L1812-L1815 HydrophobicContact CD2-CB 3.55Å; L1812-Y1867 WeakPolarHBondContact CA-O 3.22Å; L1812-Y1867 WeakPolarHBondContact CB-O 3.16Å; L1812-Y1867 PolarHBondContact N-O 3.4Å; L1812-V1868 HydrophobicContact CB-CG2 4.3Å; L1812-V1868 CarbonylContact O-C 3.54Å; L1812-V1868 WeakPolarHBondContact O-CA 3.42Å; L1812-G1869 PolarHBondContact O-N 3.01Å |
| 1813 | Q | 80.2 | Confident | 79.9 | Confident | 72 Ų | 72 | 53.9 Ų | 53.9 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | -36.3 | -176.3 | -63.2 | -173.4 | -8 | 0 | 0 | 113 | L1755 H1802 D1811 G1869 M1870 | L1755-Q1813 HydrophobicContact CD1-CG 4.27Å; L1755-Q1813 VanDerWaalsContact CD1-OE1 3.26Å; H1802-Q1813 HydrophobicContact CB-CB 4.23Å; H1802-Q1813 PolarHBondContact O-N 2.89Å; D1811-Q1813 VanDerWaalsContact OD1-CG 3.31Å; D1811-Q1813 WeakPolarHBondContact OD1-CG 3.22Å; D1811-Q1813 PolarHBondContact OD1-N 2.83Å; D1811-Q1813 PolarHBondContact OD2-NE2 3.21Å; Q1813-G1869 CarbonylContact O-C 3.46Å; Q1813-G1869 WeakPolarHBondContact O-CA 3.45Å; Q1813-M1870 PolarHBondContact O-N 2.84Å; Q1813-M1870 VanDerWaalsContact O-N 3.1Å |
| 1814 | R | 86.1 | Confident | 79.8 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 38% | 0.381 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 123.9 | 179.7 | -176.5 | 175.5 | -69.5 | -149.4 | -1.3 | 111.5 | V1801 H1802 L1812 V1816 M1870 | V1801-R1814 CarbonylContact C-O 3.51Å; V1801-R1814 VanDerWaalsContact CA-O 3.32Å; V1801-R1814 WeakPolarHBondContact CA-O 3.37Å; H1802-R1814 HydrophobicContact CB-CB 3.98Å; H1802-R1814 PolarHBondContact N-O 2.68Å; H1802-R1814 PolarHBondContact O-N 3.13Å; L1812-R1814 WeakPolarHBondContact CD2-O 3.5Å; L1812-R1814 PolarHBondContact O-N 3.44Å; R1814-V1816 HydrophobicContact CG-CG2 3.76Å; R1814-M1870 CarbonylContact C-O 3.53Å; R1814-M1870 WeakPolarHBondContact CA-O 3.49Å; R1814-M1870 HydrophobicContact CG-CE 3.61Å |
| 1815 | L | 90.4 | Very high | 80 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 20% | 0.199 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 104.4 | 166.6 | 178.6 | 53 | 0 | 0 | 0 | 108.9 | L1799 Q1800 V1801 L1812 I1817 M1870 L1871 C1872 | L1799-L1815 HydrophobicContact CD1-CD1 4.26Å; Q1800-L1815 CarbonylContact O-C 3.59Å; Q1800-L1815 WeakPolarHBondContact O-CA 3.45Å; V1801-L1815 HydrophobicContact CG1-CD1 4.5Å; V1801-L1815 HydrophobicContact CG2-CD1 3.86Å; L1812-L1815 HydrophobicContact CD1-CD2 4.27Å; L1812-L1815 HydrophobicContact CD2-CB 3.55Å; L1815-I1817 HydrophobicContact CD1-CD1 4.4Å; L1815-I1817 HydrophobicContact CD1-CG1 4.22Å; L1815-M1870 PolarHBondContact N-O 3.47Å; L1815-L1871 HydrophobicContact CB-CD1 4.08Å; L1815-L1871 HydrophobicContact CD2-CD1 3.73Å; L1815-L1871 HydrophobicContact CG-CD1 3.76Å; L1815-L1871 CarbonylContact O-C 3.5Å; L1815-L1871 VanDerWaalsContact O-CA 3.28Å; L1815-L1871 WeakPolarHBondContact O-CA 3.2Å; L1815-C1872 PolarHBondContact O-N 3.3Å |
| 1816 | V | 91.9 | Very high | 80.6 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 121.7 | -179.6 | 177.7 | 0 | 0 | 0 | 0 | 108.7 | L1799 Q1800 R1814 K1818 M1870 C1872 | L1799-V1816 WeakPolarHBondContact CA-O 3.49Å; Q1800-V1816 HydrophobicContact CB-CB 4.27Å; Q1800-V1816 PolarHBondContact N-O 2.95Å; Q1800-V1816 PolarHBondContact O-N 3.31Å; R1814-V1816 HydrophobicContact CG-CG2 3.76Å; V1816-K1818 HydrophobicContact CG1-CD 3.98Å; V1816-K1818 HydrophobicContact CG1-CG 3.74Å; V1816-M1870 HydrophobicContact CG2-CE 3.37Å; V1816-M1870 HydrophobicContact CG2-SD 4.42Å; V1816-C1872 WeakPolarHBondContact CA-O 2.98Å; V1816-C1872 HydrophobicContact CG2-CB 4.36Å |
| 1817 | I | 92.5 | Very high | 81.5 | Confident | 55 Ų | 55 | 46.9 Ų | 46.9 | 28% | 0.282 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 110.6 | 174.8 | -53 | 177.8 | 0 | 0 | 0 | 106.8 | L1797 L1799 L1815 C1872 V1873 S1874 | L1797-I1817 HydrophobicContact CD1-CG2 4.15Å; L1799-I1817 HydrophobicContact CD1-CD1 4.49Å; L1799-I1817 HydrophobicContact CD1-CG1 3.83Å; L1815-I1817 HydrophobicContact CD1-CD1 4.4Å; L1815-I1817 HydrophobicContact CD1-CG1 4.22Å; I1817-C1872 PolarHBondContact N-O 3.37Å; I1817-V1873 HydrophobicContact CB-CG1 4.47Å; I1817-V1873 HydrophobicContact CD1-CG2 4.42Å; I1817-V1873 WeakPolarHBondContact O-CA 3.45Å; I1817-S1874 PolarHBondContact O-N 2.94Å |
| 1818 | K | 92.1 | Very high | 82.5 | Confident | 110 Ų | 110 | 42.7 Ų | 42.7 | 48% | 0.478 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.6 | 178.2 | -63.8 | 179 | 174.8 | 176.1 | 0 | 109.7 | L1797 A1798 V1816 S1874 | L1797-K1818 WeakPolarHBondContact CA-O 3.26Å; A1798-K1818 HydrophobicContact CB-CB 4.4Å; A1798-K1818 PolarHBondContact N-O 2.86Å; A1798-K1818 PolarHBondContact O-N 2.92Å; V1816-K1818 HydrophobicContact CG1-CD 3.98Å; V1816-K1818 HydrophobicContact CG1-CG 3.74Å; K1818-S1874 WeakPolarHBondContact CG-OG 3.33Å |
| 1819 | L | 90 | Very high | 83.5 | Confident | 46 Ų | 46 | 39.4 Ų | 39.4 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136.7 | 168.9 | -69.4 | 169 | 0 | 0 | 0 | 109.3 | I1765 V1782 A1796 L1797 T1822 S1874 I1875 K1876 | I1765-L1819 HydrophobicContact CD1-CD2 4.46Å; V1782-L1819 HydrophobicContact CG1-CD2 4.42Å; A1796-L1819 WeakPolarHBondContact O-CA 3.39Å; L1797-L1819 HydrophobicContact CB-CD2 4.01Å; L1797-L1819 HydrophobicContact CD1-CD2 3.72Å; L1797-L1819 HydrophobicContact CD1-CG 4.31Å; L1797-L1819 HydrophobicContact CG-CD2 4.4Å; L1819-T1822 HydrophobicContact CB-CG2 3.82Å; L1819-T1822 HydrophobicContact CD1-CG2 4.34Å; L1819-S1874 PolarHBondContact N-O 2.7Å; L1819-I1875 HydrophobicContact CB-CG1 4.32Å; L1819-I1875 HydrophobicContact CD1-CG1 4.17Å; L1819-K1876 PolarHBondContact O-N 3.04Å |
| 1820 | D | 88.5 | Confident | 84.4 | Confident | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -138.8 | 177.2 | -158.1 | -12.8 | 0 | 0 | 0 | 111.5 | P1784 E1785 A1796 T1822 K1876 | P1784-D1820 WeakPolarHBondContact CA-OD2 3.32Å; E1785-D1820 PolarHBondContact N-OD2 2.85Å; A1796-D1820 PolarHBondContact O-N 2.83Å; D1820-T1822 PolarHBondContact O-N 3.19Å; D1820-T1822 VanDerWaalsContact O-N 3.15Å; D1820-K1876 WeakPolarHBondContact OD1-CD 3.3Å; D1820-K1876 IonicContact OD1-NZ 3.63Å; D1820-K1876 PolarHBondContact OD1-NZ 3.09Å |
| 1821 | R | 86 | Confident | 85 | Confident | 95 Ų | 95 | 37.6 Ų | 37.6 | 36% | 0.358 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 111.9 | 174.7 | -78.7 | -174.5 | 178.8 | 169.8 | 21.9 | 110 | V1782 H1783 E1785 K1877 | V1782-R1821 WeakPolarHBondContact CA-O 3.43Å; H1783-R1821 PolarHBondContact N-O 3.29Å; E1785-R1821 VanDerWaalsContact CG-CD 3.43Å; E1785-R1821 HydrophobicContact CG-CG 3.7Å; E1785-R1821 VanDerWaalsContact CG-CZ 3.42Å; E1785-R1821 IonicContact OE1-CZ 2.8Å; E1785-R1821 IonicContact OE1-NE 3.91Å; E1785-R1821 PolarHBondContact OE1-NE 2.91Å; E1785-R1821 IonicContact OE1-NH2 3.82Å; E1785-R1821 PolarHBondContact OE1-NH2 2.93Å; R1821-K1877 HydrophobicContact CG-CB 4.26Å; R1821-K1877 HydrophobicContact CG-CD 4.37Å |
| 1822 | T | 87 | Confident | 85.3 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.7 | 178.3 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | V1782 L1819 D1820 I1875 K1877 L1878 F1879 | V1782-T1822 HydrophobicContact CB-CG2 4.46Å; V1782-T1822 HydrophobicContact CG1-CG2 3.87Å; V1782-T1822 HydrophobicContact CG2-CG2 3.88Å; L1819-T1822 HydrophobicContact CB-CG2 3.82Å; L1819-T1822 HydrophobicContact CD1-CG2 4.34Å; D1820-T1822 PolarHBondContact O-N 3.19Å; D1820-T1822 VanDerWaalsContact O-N 3.15Å; T1822-I1875 HydrophobicContact CG2-CG2 3.92Å; T1822-I1875 WeakPolarHBondContact OG1-CG2 3.21Å; T1822-K1877 PolarHBondContact N-O 3.42Å; T1822-K1877 PolarHBondContact OG1-O 3.46Å; T1822-L1878 CarbonylContact O-C 3.44Å; T1822-L1878 WeakPolarHBondContact O-CA 3.33Å; T1822-L1878 VanDerWaalsContact OG1-CD1 3.3Å; T1822-L1878 WeakPolarHBondContact OG1-CD1 3.5Å; T1822-F1879 PolarHBondContact O-N 2.82Å |
| 1823 | V | 86.6 | Confident | 85.5 | Confident | 25 Ų | 25 | 38.6 Ų | 38.6 | 15% | 0.152 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 119.5 | 171.8 | -175.3 | 0 | 0 | 0 | 0 | 107.4 | L1780 K1781 F1879 F2109 | L1780-V1823 WeakPolarHBondContact CA-O 3.27Å; K1781-V1823 PolarHBondContact N-O 2.96Å; K1781-V1823 PolarHBondContact O-N 3.16Å; V1823-F1879 HydrophobicContact CG1-CB 4.31Å; V1823-F1879 HydrophobicContact CG2-CB 4.29Å; V1823-F1879 HydrophobicContact CG2-CD2 4.26Å; V1823-F2109 HydrophobicContact CG1-CE1 4.39Å; V1823-F2109 HydrophobicContact CG1-CZ 3.69Å |
| 1824 | L | 86.6 | Confident | 85.7 | Confident | 37 Ų | 37 | 36.6 Ų | 36.6 | 19% | 0.194 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 120.2 | -174 | -172.6 | 70.1 | 0 | 0 | 0 | 110.3 | F1779 L1780 L1826 L1878 F1879 L1880 S1881 | F1779-L1824 HydrophobicContact CD2-CD1 4.09Å; F1779-L1824 HydrophobicContact CE2-CD1 4.16Å; F1779-L1824 CarbonylContact O-C 3.54Å; F1779-L1824 WeakPolarHBondContact O-CA 3.47Å; L1780-L1824 HydrophobicContact CB-CD1 4.42Å; L1780-L1824 HydrophobicContact CD1-CD1 3.98Å; L1824-L1826 HydrophobicContact CD1-CD2 4Å; L1824-L1826 HydrophobicContact CD2-CD1 4.11Å; L1824-L1826 HydrophobicContact CD2-CD2 3.97Å; L1824-L1826 HydrophobicContact CD2-CG 4.04Å; L1824-L1826 HydrophobicContact CG-CD2 3.87Å; L1824-L1826 HydrophobicContact CG-CG 3.99Å; L1824-L1878 HydrophobicContact CB-CD1 4.01Å; L1824-F1879 PolarHBondContact N-O 3.13Å; L1824-L1880 HydrophobicContact CB-CD1 4.12Å; L1824-L1880 HydrophobicContact CD2-CD1 3.77Å; L1824-L1880 HydrophobicContact CG-CD1 4.13Å; L1824-L1880 CarbonylContact O-C 3.51Å; L1824-L1880 WeakPolarHBondContact O-CA 3.31Å; L1824-S1881 PolarHBondContact O-N 3.11Å |
| 1825 | Q | 81.2 | Confident | 85.3 | Confident | 38 Ų | 38 | 36 Ų | 36 | 18% | 0.178 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 107.8 | 174.2 | -59.8 | -171.2 | -12.8 | 0 | 0 | 109.1 | S1776 Q1778 F1779 S1881 F2109 | S1776-Q1825 PolarHBondContact OG-OE1 3.17Å; Q1778-Q1825 PolarHBondContact O-OE1 2.82Å; Q1778-Q1825 VanDerWaalsContact O-OE1 3.1Å; F1779-Q1825 WeakPolarHBondContact CB-O 2.84Å; F1779-Q1825 PolarHBondContact O-N 2.98Å; Q1825-S1881 WeakPolarHBondContact CA-O 3.26Å; Q1825-F2109 HydrophobicContact CG-CZ 4.3Å |
| 1826 | L | 80.4 | Confident | 84.7 | Confident | 40 Ų | 40 | 35.1 Ų | 35.1 | 21% | 0.209 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 113.4 | -179.5 | -61.1 | 177.4 | 0 | 0 | 0 | 110.1 | L1824 L1831 L1880 S1881 V1882 V1883 | L1824-L1826 HydrophobicContact CD1-CD2 4Å; L1824-L1826 HydrophobicContact CD2-CD1 4.11Å; L1824-L1826 HydrophobicContact CD2-CD2 3.97Å; L1824-L1826 HydrophobicContact CD2-CG 4.04Å; L1824-L1826 HydrophobicContact CG-CD2 3.87Å; L1824-L1826 HydrophobicContact CG-CG 3.99Å; L1826-L1831 HydrophobicContact CD2-CD1 4.44Å; L1826-L1880 HydrophobicContact CD1-CD1 4.08Å; L1826-L1880 HydrophobicContact CG-CD1 4.39Å; L1826-S1881 PolarHBondContact N-O 2.88Å; L1826-V1882 HydrophobicContact CB-CG2 4.25Å; L1826-V1882 HydrophobicContact CD1-CG2 4.44Å; L1826-V1882 CarbonylContact O-C 3.6Å; L1826-V1882 WeakPolarHBondContact O-CA 3.38Å; L1826-V1883 PolarHBondContact O-N 3.26Å |
| 1827 | E | 81.4 | Confident | 84 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 9% | 0.089 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 134.9 | 165.8 | -70.9 | -170.7 | 170.2 | 0 | 0 | 110.4 | N1769 N1775 S1776 N1829 L1830 L1831 V1883 | N1769-E1827 PolarHBondContact ND2-OE2 3.43Å; N1775-E1827 WeakPolarHBondContact CA-OE1 3.13Å; N1775-E1827 WeakPolarHBondContact CB-OE1 3.42Å; N1775-E1827 PolarHBondContact N-OE1 2.84Å; S1776-E1827 PolarHBondContact N-OE1 3.06Å; E1827-N1829 VanDerWaalsContact C-N 3.29Å; E1827-N1829 PolarHBondContact O-N 2.91Å; E1827-L1830 HydrophobicContact CB-CB 4.48Å; E1827-L1830 PolarHBondContact O-N 3.28Å; E1827-L1831 WeakPolarHBondContact O-CB 3.42Å; E1827-L1831 PolarHBondContact O-N 3.18Å; E1827-V1883 HydrophobicContact CG-CB 4.37Å |
| 1828 | E | 77.5 | Confident | 82.9 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.6 | -37.8 | -176.5 | -176.1 | 167.4 | -161.9 | 0 | 0 | 113.3 | W1832 V1883 T1884 S1885 L1888 K1896 L1903 | E1828-W1832 VanDerWaalsContact CG-CD1 3.45Å; E1828-W1832 VanDerWaalsContact CG-NE1 3.28Å; E1828-W1832 PolarHBondContact O-N 2.83Å; E1828-W1832 VanDerWaalsContact O-N 3.11Å; E1828-W1832 PolarHBondContact OE1-NE1 2.77Å; E1828-V1883 WeakPolarHBondContact CB-O 3.32Å; E1828-V1883 PolarHBondContact N-O 2.91Å; E1828-T1884 VanDerWaalsContact OE2-CA 3.3Å; E1828-T1884 WeakPolarHBondContact OE2-CA 3.13Å; E1828-T1884 WeakPolarHBondContact OE2-CB 3.39Å; E1828-S1885 PolarHBondContact OE2-N 2.9Å; E1828-L1888 HydrophobicContact CG-CD1 4.03Å; E1828-L1888 HydrophobicContact CG-CD2 4.34Å; E1828-K1896 WeakPolarHBondContact OE1-CD 3.43Å; E1828-K1896 VanDerWaalsContact OE1-CE 3.27Å; E1828-K1896 WeakPolarHBondContact OE1-CE 3.26Å; E1828-K1896 IonicContact OE1-NZ 3.3Å; E1828-K1896 PolarHBondContact OE1-NZ 3.45Å; E1828-K1896 IonicContact OE2-NZ 3.99Å; E1828-L1903 HydrophobicContact CB-CD1 4.22Å; E1828-L1903 HydrophobicContact CG-CD1 3.72Å |
| 1829 | N | 80.4 | Confident | 81.6 | Confident | 43 Ų | 43 | 33.1 Ų | 33.1 | 23% | 0.23 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.8 | -49 | 178.8 | -166.7 | 4.3 | 0 | 0 | 0 | 111.7 | E1827 K1833 L1888 L1892 | E1827-N1829 VanDerWaalsContact C-N 3.29Å; E1827-N1829 PolarHBondContact O-N 2.91Å; N1829-K1833 WeakPolarHBondContact O-CG 3.38Å; N1829-K1833 PolarHBondContact O-N 2.84Å; N1829-K1833 VanDerWaalsContact O-N 3.17Å; N1829-L1888 HydrophobicContact CB-CD2 4.47Å; N1829-L1892 WeakPolarHBondContact OD1-CD1 3.35Å |
| 1830 | L | 85.6 | Confident | 79.7 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.5 | 179.8 | 64.3 | 0 | 0 | 0 | 111.2 | L1737 I1738 N1769 L1771 F1779 E1827 W1832 K1833 L1834 | L1737-L1830 HydrophobicContact CB-CD1 4.16Å; I1738-L1830 HydrophobicContact CD1-CD1 4.15Å; I1738-L1830 HydrophobicContact CD1-CD2 4.06Å; I1738-L1830 HydrophobicContact CD1-CG 4.38Å; I1738-L1830 HydrophobicContact CG1-CD1 3.84Å; I1738-L1830 HydrophobicContact CG1-CD2 4.18Å; I1738-L1830 HydrophobicContact CG1-CG 4.49Å; N1769-L1830 HydrophobicContact CB-CD2 3.98Å; L1771-L1830 HydrophobicContact CD1-CB 4.15Å; L1771-L1830 HydrophobicContact CD1-CD1 4.29Å; F1779-L1830 HydrophobicContact CB-CD2 4.16Å; F1779-L1830 HydrophobicContact CG-CD2 4.15Å; E1827-L1830 HydrophobicContact CB-CB 4.48Å; E1827-L1830 PolarHBondContact O-N 3.28Å; L1830-W1832 PolarHBondContact O-N 2.89Å; L1830-K1833 PolarHBondContact O-N 3.13Å; L1830-K1833 VanDerWaalsContact O-N 3.17Å; L1830-L1834 HydrophobicContact CD1-CG 4.3Å; L1830-L1834 HydrophobicContact CG-CD1 4.2Å; L1830-L1834 HydrophobicContact CG-CG 4.34Å; L1830-L1834 WeakPolarHBondContact O-CG 3.37Å; L1830-L1834 PolarHBondContact O-N 2.84Å |
| 1831 | L | 83.3 | Confident | 78 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.9 | -49.3 | -178.2 | -175.1 | 69.6 | 0 | 0 | 0 | 111.5 | L1826 E1827 K1833 L1834 F1835 L1903 | L1826-L1831 HydrophobicContact CD2-CD1 4.44Å; E1827-L1831 WeakPolarHBondContact O-CB 3.42Å; E1827-L1831 PolarHBondContact O-N 3.18Å; L1831-K1833 PolarHBondContact O-N 2.98Å; L1831-L1834 PolarHBondContact O-N 2.99Å; L1831-F1835 HydrophobicContact CD1-CD2 4.09Å; L1831-F1835 HydrophobicContact CD1-CE2 3.63Å; L1831-F1835 HydrophobicContact CD2-CE2 4.15Å; L1831-F1835 HydrophobicContact CG-CD2 3.85Å; L1831-F1835 HydrophobicContact CG-CE2 3.66Å; L1831-F1835 VanDerWaalsContact O-CD2 3.23Å; L1831-F1835 WeakPolarHBondContact O-CD2 3.41Å; L1831-F1835 PolarHBondContact O-N 2.86Å; L1831-L1903 HydrophobicContact CD2-CD1 3.75Å; L1831-L1903 HydrophobicContact CD2-CD2 3.85Å; L1831-L1903 HydrophobicContact CD2-CG 4.41Å |
| 1832 | W | 83.3 | Confident | 76.4 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.9 | -30.8 | 179.2 | -66.4 | 123 | 0 | 0 | 0 | 113.1 | E1828 L1830 F1835 N1836 L1892 I1895 K1896 H1899 L1903 | E1828-W1832 VanDerWaalsContact CG-CD1 3.45Å; E1828-W1832 VanDerWaalsContact CG-NE1 3.28Å; E1828-W1832 PolarHBondContact O-N 2.83Å; E1828-W1832 VanDerWaalsContact O-N 3.11Å; E1828-W1832 PolarHBondContact OE1-NE1 2.77Å; L1830-W1832 PolarHBondContact O-N 2.89Å; W1832-F1835 HydrophobicContact CE3-CB 4.36Å; W1832-F1835 AromaticContact CE3-CD2 3.99Å; W1832-F1835 HydrophobicContact CE3-CD2 3.99Å; W1832-F1835 HydrophobicContact CE3-CG 4.44Å; W1832-F1835 HydrophobicContact CZ3-CD2 4.11Å; W1832-N1836 PolarHBondContact O-N 2.8Å; W1832-L1892 HydrophobicContact CB-CB 4.19Å; W1832-L1892 HydrophobicContact CB-CD1 4.37Å; W1832-L1892 HydrophobicContact CB-CD2 4.02Å; W1832-L1892 HydrophobicContact CB-CG 4.41Å; W1832-I1895 HydrophobicContact CE3-CG2 3.91Å; W1832-I1895 HydrophobicContact CZ3-CG2 4.39Å; W1832-K1896 HydrophobicContact CD2-CB 4.15Å; W1832-K1896 HydrophobicContact CH2-CB 4.21Å; W1832-K1896 HydrophobicContact CH2-CG 4.3Å; W1832-K1896 HydrophobicContact CZ2-CB 3.73Å; W1832-K1896 HydrophobicContact CZ2-CD 4.26Å; W1832-K1896 HydrophobicContact CZ2-CG 3.6Å; W1832-H1899 HydrophobicContact CH2-CB 4.16Å; W1832-H1899 HydrophobicContact CZ3-CB 3.95Å; W1832-L1903 HydrophobicContact CZ2-CD1 4.02Å |
| 1833 | K | 84.7 | Confident | 74.6 | Confident | 36 Ų | 36 | 46 Ų | 46 | 16% | 0.157 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66 | -40.9 | 171.2 | -74.2 | -171.7 | 178.8 | -163.6 | 0 | 111.8 | E1735 L1737 L1771 N1829 L1830 L1831 N1836 L1837 L1892 | E1735-K1833 IonicContact OE1-NZ 2.96Å; E1735-K1833 IonicContact OE2-NZ 3.08Å; E1735-K1833 PolarHBondContact OE2-NZ 2.84Å; L1737-K1833 HydrophobicContact CD1-CB 4.14Å; L1737-K1833 HydrophobicContact CD2-CB 4.12Å; L1737-K1833 HydrophobicContact CD2-CD 3.68Å; L1771-K1833 HydrophobicContact CD1-CD 4.31Å; L1771-K1833 HydrophobicContact CD2-CD 3.98Å; N1829-K1833 WeakPolarHBondContact O-CG 3.38Å; N1829-K1833 PolarHBondContact O-N 2.84Å; N1829-K1833 VanDerWaalsContact O-N 3.17Å; L1830-K1833 PolarHBondContact O-N 3.13Å; L1830-K1833 VanDerWaalsContact O-N 3.17Å; L1831-K1833 PolarHBondContact O-N 2.98Å; K1833-N1836 WeakPolarHBondContact O-CB 3.41Å; K1833-N1836 PolarHBondContact O-N 3.19Å; K1833-L1837 PolarHBondContact O-N 2.75Å; K1833-L1837 VanDerWaalsContact O-N 3.1Å; K1833-L1892 HydrophobicContact CG-CD1 4.05Å; K1833-L1892 HydrophobicContact CG-CD2 4.13Å |
| 1834 | L | 84.1 | Confident | 72.6 | Confident | 30 Ų | 30 | 48 Ų | 48 | 16% | 0.157 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.8 | -43.9 | 174.1 | -70.4 | 173.3 | 0 | 0 | 0 | 112.8 | L1737 I1738 L1830 L1831 N1836 L1837 F1838 | L1737-L1834 HydrophobicContact CD1-CD2 4.44Å; I1738-L1834 HydrophobicContact CD1-CD1 3.73Å; I1738-L1834 HydrophobicContact CD1-CD2 3.54Å; I1738-L1834 HydrophobicContact CD1-CG 4.05Å; I1738-L1834 HydrophobicContact CG1-CD2 4.25Å; L1830-L1834 HydrophobicContact CD1-CG 4.3Å; L1830-L1834 HydrophobicContact CG-CD1 4.2Å; L1830-L1834 HydrophobicContact CG-CG 4.34Å; L1830-L1834 WeakPolarHBondContact O-CG 3.37Å; L1830-L1834 PolarHBondContact O-N 2.84Å; L1831-L1834 PolarHBondContact O-N 2.99Å; L1834-N1836 PolarHBondContact O-N 3.28Å; L1834-L1837 WeakPolarHBondContact O-CB 2.96Å; L1834-L1837 PolarHBondContact O-N 3.2Å; L1834-F1838 HydrophobicContact CD2-CE2 4.12Å; L1834-F1838 WeakPolarHBondContact O-CD2 3.12Å; L1834-F1838 PolarHBondContact O-N 3.04Å |
| 1835 | F | 77.7 | Confident | 70.4 | Confident | 87 Ų | 87 | 50 Ų | 50 | 38% | 0.382 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.5 | -38.4 | 174 | -87.4 | -69.2 | 0 | 0 | 0 | 111.2 | L1831 W1832 L1837 D1839 | L1831-F1835 HydrophobicContact CD1-CD2 4.09Å; L1831-F1835 HydrophobicContact CD1-CE2 3.63Å; L1831-F1835 HydrophobicContact CD2-CE2 4.15Å; L1831-F1835 HydrophobicContact CG-CD2 3.85Å; L1831-F1835 HydrophobicContact CG-CE2 3.66Å; L1831-F1835 VanDerWaalsContact O-CD2 3.23Å; L1831-F1835 WeakPolarHBondContact O-CD2 3.41Å; L1831-F1835 PolarHBondContact O-N 2.86Å; W1832-F1835 HydrophobicContact CE3-CB 4.36Å; W1832-F1835 AromaticContact CE3-CD2 3.99Å; W1832-F1835 HydrophobicContact CE3-CD2 3.99Å; W1832-F1835 HydrophobicContact CE3-CG 4.44Å; W1832-F1835 HydrophobicContact CZ3-CD2 4.11Å; F1835-L1837 VanDerWaalsContact C-N 3.32Å; F1835-L1837 PolarHBondContact O-N 3.3Å; F1835-D1839 WeakPolarHBondContact O-CB 3.15Å; F1835-D1839 PolarHBondContact O-N 2.86Å; F1835-D1839 VanDerWaalsContact O-N 3.07Å |
| 1836 | N | 78.4 | Confident | 68.4 | Low | 20 Ų | 20 | 51.6 Ų | 51.6 | 11% | 0.107 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -34.9 | 174.3 | -177.3 | 67.5 | 0 | 0 | 0 | 112.9 | W1832 K1833 L1834 R1842 I1895 | W1832-N1836 PolarHBondContact O-N 2.8Å; K1833-N1836 WeakPolarHBondContact O-CB 3.41Å; K1833-N1836 PolarHBondContact O-N 3.19Å; L1834-N1836 PolarHBondContact O-N 3.28Å; N1836-R1842 PolarHBondContact OD1-NH1 2.84Å; N1836-I1895 HydrophobicContact CB-CD1 3.64Å |
| 1837 | L | 76.8 | Confident | 66.6 | Low | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74.1 | -42.7 | 179.9 | -172.5 | 128.6 | 0 | 0 | 0 | 112 | E791 I1729 N1731 L1737 K1833 L1834 F1835 W1843 | E791-L1837 HydrophobicContact CB-CD1 3.99Å; E791-L1837 HydrophobicContact CG-CD1 4.28Å; E791-L1837 HydrophobicContact CG-CG 4.38Å; I1729-L1837 HydrophobicContact CG2-CD1 4.1Å; I1729-L1837 HydrophobicContact CG2-CD2 4.04Å; N1731-L1837 HydrophobicContact CB-CD1 4.18Å; L1737-L1837 HydrophobicContact CD1-CD1 4.18Å; K1833-L1837 PolarHBondContact O-N 2.75Å; K1833-L1837 VanDerWaalsContact O-N 3.1Å; L1834-L1837 WeakPolarHBondContact O-CB 2.96Å; L1834-L1837 PolarHBondContact O-N 3.2Å; F1835-L1837 VanDerWaalsContact C-N 3.32Å; F1835-L1837 PolarHBondContact O-N 3.3Å; L1837-W1843 VanDerWaalsContact O-CZ2 3.27Å; L1837-W1843 WeakPolarHBondContact O-CZ2 3.46Å |
| 1838 | F | 69.3 | Low | 64.6 | Low | 98 Ų | 98 | 67.3 Ų | 67.3 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -98.4 | 11.4 | -175.9 | -66.9 | -69.2 | 0 | 0 | 0 | 115.1 | I1729 L1834 L1840 W1843 | I1729-F1838 HydrophobicContact CD1-CZ 4.46Å; L1834-F1838 HydrophobicContact CD2-CE2 4.12Å; L1834-F1838 WeakPolarHBondContact O-CD2 3.12Å; L1834-F1838 PolarHBondContact O-N 3.04Å; F1838-L1840 VanDerWaalsContact C-N 3.34Å; F1838-L1840 PolarHBondContact O-N 3.33Å; F1838-W1843 HydrophobicContact CD1-CH2 4.11Å |
| 1839 | D | 64.6 | Low | 62.6 | Low | 32 Ų | 32 | 74 Ų | 74 | 17% | 0.171 | 36% | 0.356 | C | S | . | . | trans | -64.4 | 91.7 | 177.6 | -175.2 | 7.5 | 0 | 0 | 0 | 111.4 | F1835 N1841 R1842 W1843 | F1835-D1839 WeakPolarHBondContact O-CB 3.15Å; F1835-D1839 PolarHBondContact O-N 2.86Å; F1835-D1839 VanDerWaalsContact O-N 3.07Å; D1839-N1841 PolarHBondContact O-N 2.85Å; D1839-N1841 VanDerWaalsContact O-N 3.07Å; D1839-N1841 VanDerWaalsContact OD1-CB 3.28Å; D1839-N1841 WeakPolarHBondContact OD1-CB 3.45Å; D1839-N1841 PolarHBondContact OD1-N 2.92Å; D1839-N1841 VanDerWaalsContact OD1-N 3.07Å; D1839-R1842 WeakPolarHBondContact O-CB 3.39Å; D1839-R1842 PolarHBondContact O-N 2.97Å; D1839-W1843 PolarHBondContact O-N 2.78Å | ||
| 1840 | L | 50.3 | Low | 60.7 | Low | 117 Ų | 117 | 76.4 Ų | 76.4 | 61% | 0.613 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -55.7 | -24.9 | 177.8 | -64.3 | 174 | 0 | 0 | 0 | 112.4 | F1838 R1842 W1843 S1844 | F1838-L1840 VanDerWaalsContact C-N 3.34Å; F1838-L1840 PolarHBondContact O-N 3.33Å; L1840-R1842 VanDerWaalsContact C-N 3.33Å; L1840-W1843 HydrophobicContact CD2-CD2 4.33Å; L1840-W1843 HydrophobicContact CD2-CE3 3.39Å; L1840-W1843 HydrophobicContact CD2-CZ3 3.54Å; L1840-W1843 PolarHBondContact O-N 2.88Å; L1840-S1844 PolarHBondContact O-N 2.8Å; L1840-S1844 PolarHBondContact O-OG 2.65Å; L1840-S1844 VanDerWaalsContact O-OG 3.07Å |
| 1841 | N | 51.8 | Low | 58.3 | Low | 109 Ų | 109 | 83.5 Ų | 83.5 | 58% | 0.583 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.8 | -34.4 | 177.8 | -64.5 | -43.5 | 0 | 0 | 0 | 111.3 | D1839 S1844 S1845 | D1839-N1841 PolarHBondContact O-N 2.85Å; D1839-N1841 VanDerWaalsContact O-N 3.07Å; D1839-N1841 VanDerWaalsContact OD1-CB 3.28Å; D1839-N1841 WeakPolarHBondContact OD1-CB 3.45Å; D1839-N1841 PolarHBondContact OD1-N 2.92Å; D1839-N1841 VanDerWaalsContact OD1-N 3.07Å; N1841-S1844 PolarHBondContact O-N 3.39Å; N1841-S1844 PolarHBondContact O-OG 3.02Å; N1841-S1845 WeakPolarHBondContact O-CB 3.09Å; N1841-S1845 PolarHBondContact O-N 3.45Å; N1841-S1845 PolarHBondContact O-OG 2.82Å |
| 1842 | R | 53.3 | Low | 55.9 | Low | 119 Ų | 119 | 86.4 Ų | 86.4 | 45% | 0.449 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 171.1 | -84.9 | -172.6 | 176.3 | 164.7 | 8.7 | 111.5 | N1836 D1839 L1840 S1844 S1845 | N1836-R1842 PolarHBondContact OD1-NH1 2.84Å; D1839-R1842 WeakPolarHBondContact O-CB 3.39Å; D1839-R1842 PolarHBondContact O-N 2.97Å; L1840-R1842 VanDerWaalsContact C-N 3.33Å; R1842-S1844 PolarHBondContact O-N 3.4Å; R1842-S1845 PolarHBondContact O-N 2.93Å |
| 1843 | W | 49.1 | Very low | 53.5 | Low | 81 Ų | 81 | 96.7 Ų | 96.7 | 31% | 0.307 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.1 | -30.5 | 178.2 | -61.8 | -4.7 | 0 | 0 | 0 | 111.8 | L798 L1837 F1838 D1839 L1840 | L798-W1843 HydrophobicContact CD1-CD2 3.76Å; L798-W1843 HydrophobicContact CD1-CE3 3.41Å; L798-W1843 VanDerWaalsContact CD1-CE3 3.41Å; L798-W1843 HydrophobicContact CD1-CG 4.47Å; L798-W1843 HydrophobicContact CD1-CH2 4.08Å; L798-W1843 HydrophobicContact CD1-CZ2 4.35Å; L798-W1843 HydrophobicContact CD1-CZ3 3.61Å; L1837-W1843 VanDerWaalsContact O-CZ2 3.27Å; L1837-W1843 WeakPolarHBondContact O-CZ2 3.46Å; F1838-W1843 HydrophobicContact CD1-CH2 4.11Å; D1839-W1843 PolarHBondContact O-N 2.78Å; L1840-W1843 HydrophobicContact CD2-CD2 4.33Å; L1840-W1843 HydrophobicContact CD2-CE3 3.39Å; L1840-W1843 HydrophobicContact CD2-CZ3 3.54Å; L1840-W1843 PolarHBondContact O-N 2.88Å |
| 1844 | S | 44.6 | Very low | 51.3 | Low | 66 Ų | 66 | 99 Ų | 99 | 46% | 0.462 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -96.2 | -5 | 177.8 | 62.6 | 0 | 0 | 0 | 0 | 115.9 | L1840 N1841 R1842 A1846 | L1840-S1844 PolarHBondContact O-N 2.8Å; L1840-S1844 PolarHBondContact O-OG 2.65Å; L1840-S1844 VanDerWaalsContact O-OG 3.07Å; N1841-S1844 PolarHBondContact O-N 3.39Å; N1841-S1844 PolarHBondContact O-OG 3.02Å; R1842-S1844 PolarHBondContact O-N 3.4Å; S1844-A1846 PolarHBondContact O-N 2.67Å |
| 1845 | S | 40.3 | Very low | 49 | Very low | 79 Ų | 79 | 103.1 Ų | 103.1 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | trans | -88.3 | 115 | -167.5 | -80.8 | 0 | 0 | 0 | 0 | 116.3 | N1841 R1842 R1847 | N1841-S1845 WeakPolarHBondContact O-CB 3.09Å; N1841-S1845 PolarHBondContact O-N 3.45Å; N1841-S1845 PolarHBondContact O-OG 2.82Å; R1842-S1845 PolarHBondContact O-N 2.93Å; S1845-R1847 PolarHBondContact O-N 2.69Å | ||
| 1846 | A | 38.4 | Very low | 46.8 | Very low | 73 Ų | 73 | 103.5 Ų | 103.5 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | S | Bend | trans | 74.9 | -38.6 | 136.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | S1844 Y1848 | S1844-A1846 PolarHBondContact O-N 2.67Å; A1846-Y1848 VanDerWaalsContact C-N 3.33Å; A1846-Y1848 PolarHBondContact O-N 2.8Å |
| 1847 | R | 44.2 | Very low | 44.9 | Very low | 236 Ų | 236 | 106.3 Ų | 106.3 | 89% | 0.891 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -19.7 | -174.2 | -116.3 | -172.9 | -76.5 | -175.6 | -1.1 | 114.6 | S1845 | S1845-R1847 PolarHBondContact O-N 2.69Š|
| 1848 | Y | 38.8 | Very low | 43 | Very low | 153 Ų | 153 | 110.5 Ų | 110.5 | 60% | 0.6 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -16 | 178.3 | -135.2 | -99.9 | 0 | 0 | 0 | 114.8 | A1846 S1850 K1851 | A1846-Y1848 VanDerWaalsContact C-N 3.33Å; A1846-Y1848 PolarHBondContact O-N 2.8Å; Y1848-S1850 PolarHBondContact O-N 3.34Å; Y1848-S1850 VanDerWaalsContact O-N 3.14Å; Y1848-K1851 PolarHBondContact O-N 3.15Å |
| 1849 | K | 34.8 | Very low | 41.5 | Very low | 142 Ų | 142 | 112.6 Ų | 112.6 | 62% | 0.617 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.1 | -21.1 | 178 | -75.3 | -170.1 | 178.9 | -178.4 | 0 | 113.5 | K1851 L1852 | K1849-K1851 VanDerWaalsContact C-N 3.32Å; K1849-K1851 PolarHBondContact O-N 3.12Å; K1849-L1852 PolarHBondContact O-N 3Å |
| 1850 | S | 41.2 | Very low | 40.3 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 66% | 0.664 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.5 | -28.5 | 178 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | Y1848 | Y1848-S1850 PolarHBondContact O-N 3.34Å; Y1848-S1850 VanDerWaalsContact O-N 3.14Å |
| 1851 | K | 35.3 | Very low | 39.9 | Very low | 153 Ų | 153 | 124.8 Ų | 124.8 | 67% | 0.665 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -83 | -22.4 | 174.1 | -80 | -172 | 175.1 | -177.1 | 0 | 113.5 | Y1848 K1849 R1853 A1854 | Y1848-K1851 PolarHBondContact O-N 3.15Å; K1849-K1851 VanDerWaalsContact C-N 3.32Å; K1849-K1851 PolarHBondContact O-N 3.12Å; K1851-R1853 VanDerWaalsContact C-N 3.3Å; K1851-R1853 PolarHBondContact O-N 3.25Å; K1851-A1854 PolarHBondContact O-N 3.21Å |
| 1852 | L | 32.4 | Very low | 39.6 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 45% | 0.445 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -74 | -15.1 | -178.3 | -143.4 | 82.1 | 0 | 0 | 0 | 114.1 | K1849 A1854 H1855 | K1849-L1852 PolarHBondContact O-N 3Å; L1852-A1854 PolarHBondContact O-N 2.92Å; L1852-H1855 PolarHBondContact O-N 3.36Å |
| 1853 | R | 34.4 | Very low | 39.4 | Very low | 218 Ų | 218 | 123 Ų | 123 | 82% | 0.823 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -63 | -23.1 | 176.1 | -80.9 | -170.2 | 175.4 | -173.8 | -1.8 | 113.5 | K1851 H1855 S1856 | K1851-R1853 VanDerWaalsContact C-N 3.3Å; K1851-R1853 PolarHBondContact O-N 3.25Å; R1853-H1855 VanDerWaalsContact C-N 3.29Å; R1853-H1855 PolarHBondContact O-N 2.98Å; R1853-S1856 PolarHBondContact O-OG 3.31Å |
| 1854 | A | 38.4 | Very low | 39.9 | Very low | 84 Ų | 84 | 126.1 Ų | 126.1 | 69% | 0.694 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -78.9 | -8.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K1851 L1852 | K1851-A1854 PolarHBondContact O-N 3.21Å; L1852-A1854 PolarHBondContact O-N 2.92Å |
| 1855 | H | 34 | Very low | 41 | Very low | 117 Ų | 117 | 124 Ų | 124 | 54% | 0.542 | 62% | 0.624 | S | S | . | * | G | 310 helix | trans | -116.8 | 33.9 | 178.5 | -67.2 | -12.1 | 0 | 0 | 0 | 112.2 | L1852 R1853 A1857 T1858 | L1852-H1855 PolarHBondContact O-N 3.36Å; R1853-H1855 VanDerWaalsContact C-N 3.29Å; R1853-H1855 PolarHBondContact O-N 2.98Å; H1855-A1857 PolarHBondContact O-N 2.84Å; H1855-T1858 PolarHBondContact O-N 2.77Å; H1855-T1858 PolarHBondContact O-OG1 3.24Å |
| 1856 | S | 32.8 | Very low | 42.5 | Very low | 96 Ų | 96 | 122.2 Ų | 122.2 | 67% | 0.671 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 2.3 | 176.3 | 28.2 | 0 | 0 | 0 | 0 | 114.5 | R1853 | R1853-S1856 PolarHBondContact O-OG 3.31Š|
| 1857 | A | 37.6 | Very low | 44.4 | Very low | 79 Ų | 79 | 119.4 Ų | 119.4 | 65% | 0.653 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -20.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | H1855 | H1855-A1857 PolarHBondContact O-N 2.84Š|
| 1858 | T | 37.6 | Very low | 45.8 | Very low | 89 Ų | 89 | 108.4 Ų | 108.4 | 55% | 0.546 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -1 | -172.7 | 52.6 | 0 | 0 | 0 | 0 | 115.5 | H1855 R1860 K1861 | H1855-T1858 PolarHBondContact O-N 2.77Å; H1855-T1858 PolarHBondContact O-OG1 3.24Å; T1858-R1860 PolarHBondContact O-N 3.24Å; T1858-R1860 VanDerWaalsContact O-N 3.11Å; T1858-K1861 PolarHBondContact O-N 3.3Å; T1858-K1861 VanDerWaalsContact O-N 3.1Å |
| 1859 | E | 38.5 | Very low | 47.5 | Very low | 142 Ų | 142 | 101.9 Ų | 101.9 | 66% | 0.664 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -60.6 | -17.6 | 166.8 | -84.8 | -171.2 | 166.8 | 0 | 0 | 112.4 | K1861 S1862 | E1859-K1861 PolarHBondContact O-N 3.43Å; E1859-K1861 VanDerWaalsContact O-N 3.16Å; E1859-S1862 PolarHBondContact O-N 3.44Å |
| 1860 | R | 38.8 | Very low | 49.7 | Very low | 234 Ų | 234 | 97 Ų | 97 | 88% | 0.883 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -59.1 | -21.5 | 171.6 | -72 | -177.5 | 178.2 | 156.5 | -1.1 | 114.2 | T1858 | T1858-R1860 PolarHBondContact O-N 3.24Å; T1858-R1860 VanDerWaalsContact O-N 3.11Å |
| 1861 | K | 41.7 | Very low | 51.9 | Low | 170 Ų | 170 | 93 Ų | 93 | 74% | 0.739 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -93.4 | -9.1 | -176.2 | -79.6 | -171.9 | 174.9 | -178 | 0 | 116 | T1858 E1859 | T1858-K1861 PolarHBondContact O-N 3.3Å; T1858-K1861 VanDerWaalsContact O-N 3.1Å; E1859-K1861 PolarHBondContact O-N 3.43Å; E1859-K1861 VanDerWaalsContact O-N 3.16Å |
| 1862 | S | 45.2 | Very low | 54.6 | Low | 103 Ų | 103 | 86.2 Ų | 86.2 | 72% | 0.72 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -89 | -13 | -172.1 | -177.1 | 0 | 0 | 0 | 0 | 115 | E1859 R1864 | E1859-S1862 PolarHBondContact O-N 3.44Å; S1862-R1864 VanDerWaalsContact C-N 3.3Å; S1862-R1864 PolarHBondContact O-N 3.39Å |
| 1863 | N | 49.1 | Very low | 57.3 | Low | 88 Ų | 88 | 83.3 Ų | 83.3 | 47% | 0.471 | 43% | 0.427 | S | S | . | . | trans | -98.6 | 49.2 | -179.5 | -128.4 | 32.2 | 0 | 0 | 0 | 111 | L1865 | N1863-L1865 PolarHBondContact O-N 3Š| ||
| 1864 | R | 59.4 | Low | 59.9 | Low | 146 Ų | 146 | 73.9 Ų | 73.9 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | trans | -54.2 | 129.3 | 172.4 | -72.5 | -175.3 | 178.8 | 173.6 | -1.5 | 108.9 | S1862 F1866 | S1862-R1864 VanDerWaalsContact C-N 3.3Å; S1862-R1864 PolarHBondContact O-N 3.39Å; R1864-F1866 WeakPolarHBondContact O-CD2 3.23Å | ||
| 1865 | L | 67.8 | Low | 62.2 | Low | 22 Ų | 22 | 71.4 Ų | 71.4 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 142.6 | 177.3 | -71.3 | 159.1 | 0 | 0 | 0 | 109.2 | L1389 L1809 F1810 N1863 L1922 | L1389-L1865 HydrophobicContact CD1-CD1 3.93Å; L1389-L1865 HydrophobicContact CD2-CD1 3.42Å; L1389-L1865 VanDerWaalsContact CD2-CD1 3.42Å; L1389-L1865 HydrophobicContact CG-CD1 4.32Å; L1809-L1865 HydrophobicContact CD1-CB 4.15Å; L1809-L1865 WeakPolarHBondContact CD1-O 3.35Å; F1810-L1865 PolarHBondContact N-O 3.43Å; N1863-L1865 PolarHBondContact O-N 3Å; L1865-L1922 HydrophobicContact CB-CD1 3.92Å |
| 1866 | F | 73 | Confident | 64.6 | Low | 41 Ų | 41 | 70.2 Ų | 70.2 | 18% | 0.18 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 117.7 | 175 | -72.9 | -106.1 | 0 | 0 | 0 | 107.2 | F1810 R1864 V1868 L1922 Q1923 I1925 F1928 | F1810-F1866 HydrophobicContact CB-CD1 3.74Å; F1810-F1866 HydrophobicContact CB-CE1 3.83Å; F1810-F1866 HydrophobicContact CB-CG 4.2Å; F1810-F1866 HydrophobicContact CB-CZ 4.37Å; F1810-F1866 AromaticContact CD1-CD1 3.46Å; F1810-F1866 HydrophobicContact CD1-CD1 3.46Å; F1810-F1866 VanDerWaalsContact CD1-CD1 3.46Å; F1810-F1866 AromaticContact CD1-CE1 3.51Å; F1810-F1866 HydrophobicContact CD1-CE1 3.51Å; F1810-F1866 HydrophobicContact CD2-CE1 4.44Å; F1810-F1866 HydrophobicContact CE1-CD1 4.32Å; F1810-F1866 HydrophobicContact CE1-CE1 4.14Å; F1810-F1866 AromaticContact CG-CD1 3.84Å; F1810-F1866 HydrophobicContact CG-CD1 3.84Å; F1810-F1866 AromaticContact CG-CE1 3.67Å; F1810-F1866 HydrophobicContact CG-CE1 3.67Å; F1810-F1866 HydrophobicContact CG-CZ 4.47Å; F1810-F1866 CarbonylContact O-C 3.51Å; F1810-F1866 WeakPolarHBondContact O-CA 3.17Å; R1864-F1866 WeakPolarHBondContact O-CD2 3.23Å; F1866-V1868 HydrophobicContact CB-CG2 4.44Å; F1866-L1922 WeakPolarHBondContact O-CA 3.4Å; F1866-Q1923 WeakPolarHBondContact CA-O 3.43Å; F1866-Q1923 WeakPolarHBondContact CB-O 3.35Å; F1866-Q1923 PolarHBondContact N-O 2.8Å; F1866-Q1923 PolarHBondContact O-N 2.7Å; F1866-Q1923 VanDerWaalsContact O-O 3.1Å; F1866-I1925 HydrophobicContact CD2-CB 4.06Å; F1866-I1925 HydrophobicContact CE1-CD1 4.26Å; F1866-I1925 HydrophobicContact CE2-CB 3.81Å; F1866-I1925 HydrophobicContact CE2-CD1 4.37Å; F1866-I1925 HydrophobicContact CE2-CG2 4.3Å; F1866-I1925 HydrophobicContact CZ-CB 4.29Å; F1866-I1925 HydrophobicContact CZ-CD1 3.97Å; F1866-F1928 HydrophobicContact CB-CE2 3.97Å |
| 1867 | Y | 76.5 | Confident | 67 | Low | 15 Ų | 15 | 69.3 Ų | 69.3 | 6% | 0.059 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.6 | 163.9 | 173.1 | -109.5 | 0 | 0 | 0 | 108 | G1657 P1658 F1810 D1811 L1812 L1922 | G1657-Y1867 VanDerWaalsContact C-CZ 3.46Å; G1657-Y1867 WeakPolarHBondContact O-CE1 3.19Å; G1657-Y1867 PolarHBondContact O-OH 3.39Å; P1658-Y1867 VanDerWaalsContact CA-CE2 3.44Å; P1658-Y1867 HydrophobicContact CB-CD1 4.49Å; P1658-Y1867 HydrophobicContact CB-CD2 3.52Å; P1658-Y1867 HydrophobicContact CB-CE2 3.89Å; P1658-Y1867 HydrophobicContact CB-CG 3.84Å; P1658-Y1867 HydrophobicContact CG-CD2 4.48Å; P1658-Y1867 HydrophobicContact CG-CG 4.35Å; F1810-Y1867 PolarHBondContact O-N 2.8Å; D1811-Y1867 VanDerWaalsContact OD1-CD1 3.26Å; D1811-Y1867 WeakPolarHBondContact OD1-CD1 3.45Å; L1812-Y1867 WeakPolarHBondContact CA-O 3.22Å; L1812-Y1867 WeakPolarHBondContact CB-O 3.16Å; L1812-Y1867 PolarHBondContact N-O 3.4Å; Y1867-L1922 HydrophobicContact CD2-CB 4.44Å |
| 1868 | V | 75.5 | Confident | 69.3 | Low | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.03 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 105.1 | -178.6 | 174 | 0 | 0 | 0 | 0 | 108 | L1812 F1866 L1871 E1920 C1921 F1928 | L1812-V1868 HydrophobicContact CB-CG2 4.3Å; L1812-V1868 CarbonylContact O-C 3.54Å; L1812-V1868 WeakPolarHBondContact O-CA 3.42Å; F1866-V1868 HydrophobicContact CB-CG2 4.44Å; V1868-L1871 HydrophobicContact CG1-CB 3.32Å; V1868-L1871 HydrophobicContact CG1-CD2 4.49Å; V1868-E1920 CarbonylContact O-C 3.59Å; V1868-E1920 VanDerWaalsContact O-CA 3.31Å; V1868-E1920 WeakPolarHBondContact O-CA 3.48Å; V1868-E1920 PolarHBondContact O-N 2.91Å; V1868-E1920 VanDerWaalsContact O-N 3.09Å; V1868-C1921 PolarHBondContact N-O 3.46Å; V1868-C1921 PolarHBondContact O-N 2.86Å; V1868-F1928 HydrophobicContact CB-CE1 4.12Å; V1868-F1928 HydrophobicContact CB-CZ 3.76Å; V1868-F1928 HydrophobicContact CG1-CE1 4.49Å; V1868-F1928 HydrophobicContact CG2-CD2 4.42Å; V1868-F1928 HydrophobicContact CG2-CE1 3.88Å; V1868-F1928 HydrophobicContact CG2-CE2 3.61Å; V1868-F1928 HydrophobicContact CG2-CZ 3.3Å |
| 1869 | G | 72.6 | Confident | 71.6 | Confident | 16 Ų | 16 | 64.8 Ų | 64.8 | 17% | 0.165 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | -51 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1812 Q1813 E1920 | L1812-G1869 PolarHBondContact O-N 3.01Å; Q1813-G1869 CarbonylContact O-C 3.46Å; Q1813-G1869 WeakPolarHBondContact O-CA 3.45Å; G1869-E1920 PolarHBondContact O-N 3.15Å |
| 1870 | M | 82.2 | Confident | 73.8 | Confident | 40 Ų | 40 | 58.8 Ų | 58.8 | 20% | 0.197 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 122.9 | 170.2 | 174.7 | 173.3 | 67.5 | 0 | 0 | 110.5 | Q1813 R1814 L1815 V1816 M1919 | Q1813-M1870 PolarHBondContact O-N 2.84Å; Q1813-M1870 VanDerWaalsContact O-N 3.1Å; R1814-M1870 CarbonylContact C-O 3.53Å; R1814-M1870 WeakPolarHBondContact CA-O 3.49Å; R1814-M1870 HydrophobicContact CG-CE 3.61Å; L1815-M1870 PolarHBondContact N-O 3.47Å; V1816-M1870 HydrophobicContact CG2-CE 3.37Å; V1816-M1870 HydrophobicContact CG2-SD 4.42Å; M1870-M1919 HydrophobicContact CB-SD 3.65Å; M1870-M1919 HydrophobicContact CG-CE 3.98Å; M1870-M1919 HydrophobicContact CG-SD 3.48Å; M1870-M1919 WeakPolarHBondContact CG-SD 3.33Å; M1870-M1919 HydrophobicContact SD-CE 3.8Å; M1870-M1919 HydrophobicContact SD-SD 4.12Å |
| 1871 | L | 87.6 | Confident | 75.5 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 117.3 | 166.9 | 165.5 | 61 | 0 | 0 | 0 | 109.1 | L1815 V1868 V1873 F1916 R1917 Q1918 F1928 I1932 | L1815-L1871 HydrophobicContact CB-CD1 4.08Å; L1815-L1871 HydrophobicContact CD2-CD1 3.73Å; L1815-L1871 HydrophobicContact CG-CD1 3.76Å; L1815-L1871 CarbonylContact O-C 3.5Å; L1815-L1871 VanDerWaalsContact O-CA 3.28Å; L1815-L1871 WeakPolarHBondContact O-CA 3.2Å; V1868-L1871 HydrophobicContact CG1-CB 3.32Å; V1868-L1871 HydrophobicContact CG1-CD2 4.49Å; L1871-V1873 HydrophobicContact CD1-CG2 3.94Å; L1871-F1916 HydrophobicContact CD2-CD1 4.43Å; L1871-F1916 HydrophobicContact CD2-CE1 3.74Å; L1871-F1916 HydrophobicContact CG-CD1 4.29Å; L1871-F1916 HydrophobicContact CG-CE1 4.04Å; L1871-R1917 CarbonylContact O-C 3.55Å; L1871-R1917 WeakPolarHBondContact O-CA 3.4Å; L1871-Q1918 HydrophobicContact CB-CB 4.31Å; L1871-Q1918 HydrophobicContact CD2-CB 4.49Å; L1871-Q1918 PolarHBondContact N-O 3.05Å; L1871-Q1918 PolarHBondContact O-N 2.99Å; L1871-F1928 HydrophobicContact CD2-CD1 3.8Å; L1871-F1928 HydrophobicContact CD2-CE1 4.31Å; L1871-F1928 HydrophobicContact CD2-CG 4.46Å; L1871-I1932 HydrophobicContact CD2-CD1 4.38Å |
| 1872 | C | 90.9 | Very high | 77.1 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 116.2 | 177.3 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | L1815 V1816 I1817 F1916 R1917 | L1815-C1872 PolarHBondContact O-N 3.3Å; V1816-C1872 WeakPolarHBondContact CA-O 2.98Å; V1816-C1872 HydrophobicContact CG2-CB 4.36Å; I1817-C1872 PolarHBondContact N-O 3.37Å; C1872-F1916 CarbonylContact C-O 3.58Å; C1872-F1916 VanDerWaalsContact CA-O 3.29Å; C1872-F1916 WeakPolarHBondContact CA-O 3.4Å; C1872-R1917 HydrophobicContact CB-CG 4.5Å |
| 1873 | V | 90 | Very high | 78.3 | Confident | 25 Ų | 25 | 37.8 Ų | 37.8 | 15% | 0.152 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.5 | 171.3 | -173.9 | 0 | 0 | 0 | 0 | 107.8 | I1817 L1871 P1915 F1916 F1936 | I1817-V1873 HydrophobicContact CB-CG1 4.47Å; I1817-V1873 HydrophobicContact CD1-CG2 4.42Å; I1817-V1873 WeakPolarHBondContact O-CA 3.45Å; L1871-V1873 HydrophobicContact CD1-CG2 3.94Å; V1873-P1915 CarbonylContact O-C 3.58Å; V1873-P1915 WeakPolarHBondContact O-CA 3.36Å; V1873-F1916 HydrophobicContact CB-CB 4.36Å; V1873-F1916 PolarHBondContact N-O 2.83Å; V1873-F1916 PolarHBondContact O-N 2.82Å; V1873-F1936 HydrophobicContact CB-CE2 4.4Å; V1873-F1936 HydrophobicContact CB-CZ 4.19Å; V1873-F1936 HydrophobicContact CG1-CE2 4.13Å; V1873-F1936 HydrophobicContact CG1-CZ 3.79Å |
| 1874 | S | 88.4 | Confident | 79.2 | Confident | 19 Ų | 19 | 36.1 Ų | 36.1 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 140.7 | -176.3 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | I1817 K1818 L1819 | I1817-S1874 PolarHBondContact O-N 2.94Å; K1818-S1874 WeakPolarHBondContact CG-OG 3.33Å; L1819-S1874 PolarHBondContact N-O 2.7Å |
| 1875 | I | 87.8 | Confident | 79.4 | Confident | 32 Ų | 32 | 31.4 Ų | 31.4 | 16% | 0.164 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 120.4 | 169.9 | -59.9 | 167.2 | 0 | 0 | 0 | 106 | L1819 T1822 L1878 I1913 F1936 | L1819-I1875 HydrophobicContact CB-CG1 4.32Å; L1819-I1875 HydrophobicContact CD1-CG1 4.17Å; T1822-I1875 HydrophobicContact CG2-CG2 3.92Å; T1822-I1875 WeakPolarHBondContact OG1-CG2 3.21Å; I1875-L1878 HydrophobicContact CG2-CB 4.23Å; I1875-I1913 HydrophobicContact CD1-CD1 4.06Å; I1875-F1936 HydrophobicContact CD1-CE1 4.49Å |
| 1876 | K | 83.3 | Confident | 78.7 | Confident | 92 Ų | 92 | 34.5 Ų | 34.5 | 40% | 0.4 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | -49.2 | -172.9 | -166.6 | -170.5 | -167.1 | 177 | 0 | 112 | E1785 L1819 D1820 | E1785-K1876 VanDerWaalsContact OE2-CE 3.31Å; E1785-K1876 WeakPolarHBondContact OE2-CE 3.45Å; E1785-K1876 IonicContact OE2-NZ 3.14Å; E1785-K1876 PolarHBondContact OE2-NZ 3.43Å; L1819-K1876 PolarHBondContact O-N 3.04Å; D1820-K1876 WeakPolarHBondContact OD1-CD 3.3Å; D1820-K1876 IonicContact OD1-NZ 3.63Å; D1820-K1876 PolarHBondContact OD1-NZ 3.09Å |
| 1877 | K | 83.7 | Confident | 78.2 | Confident | 78 Ų | 78 | 39.4 Ų | 39.4 | 34% | 0.339 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 135.2 | 173.9 | -69.3 | 179.6 | -178.2 | 157.8 | 0 | 109.6 | E1785 R1821 T1822 | E1785-K1877 IonicContact OE1-NZ 4Å; E1785-K1877 PolarHBondContact OE1-NZ 2.98Å; E1785-K1877 VanDerWaalsContact OE1-NZ 3.07Å; R1821-K1877 HydrophobicContact CG-CB 4.26Å; R1821-K1877 HydrophobicContact CG-CD 4.37Å; T1822-K1877 PolarHBondContact N-O 3.42Å; T1822-K1877 PolarHBondContact OG1-O 3.46Å |
| 1878 | L | 86.7 | Confident | 77.8 | Confident | 17 Ų | 17 | 39.4 Ų | 39.4 | 9% | 0.089 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124.9 | 175.4 | 176.5 | 66.5 | 0 | 0 | 0 | 110 | T1822 L1824 I1875 L1880 V1911 I1913 | T1822-L1878 CarbonylContact O-C 3.44Å; T1822-L1878 WeakPolarHBondContact O-CA 3.33Å; T1822-L1878 VanDerWaalsContact OG1-CD1 3.3Å; T1822-L1878 WeakPolarHBondContact OG1-CD1 3.5Å; L1824-L1878 HydrophobicContact CB-CD1 4.01Å; I1875-L1878 HydrophobicContact CG2-CB 4.23Å; L1878-L1880 HydrophobicContact CG-CB 4.44Å; L1878-V1911 HydrophobicContact CB-CB 4.32Å; L1878-V1911 HydrophobicContact CD2-CB 4.19Å; L1878-V1911 HydrophobicContact CG-CB 4.43Å; L1878-V1911 PolarHBondContact N-O 2.84Å; L1878-V1911 PolarHBondContact O-N 2.81Å; L1878-I1913 HydrophobicContact CB-CD1 4.13Å; L1878-I1913 HydrophobicContact CD2-CD1 3.54Å; L1878-I1913 HydrophobicContact CG-CD1 4.47Å |
| 1879 | F | 84.8 | Confident | 77.6 | Confident | 55 Ų | 55 | 42.6 Ų | 42.6 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 115.1 | 165.5 | -67.3 | -85 | 0 | 0 | 0 | 108.5 | T1822 V1823 L1824 N1908 A1909 P1910 | T1822-F1879 PolarHBondContact O-N 2.82Å; V1823-F1879 HydrophobicContact CG1-CB 4.31Å; V1823-F1879 HydrophobicContact CG2-CB 4.29Å; V1823-F1879 HydrophobicContact CG2-CD2 4.26Å; L1824-F1879 PolarHBondContact N-O 3.13Å; F1879-N1908 VanDerWaalsContact CD1-OD1 3.25Å; F1879-N1908 WeakPolarHBondContact CD1-OD1 3.31Å; F1879-A1909 WeakPolarHBondContact CA-O 3.08Å; F1879-P1910 HydrophobicContact CD1-CB 4.27Å; F1879-P1910 HydrophobicContact CE1-CB 4.06Å |
| 1880 | L | 84.1 | Confident | 77.5 | Confident | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131.4 | -173.5 | -175.5 | 64.2 | 0 | 0 | 0 | 110.9 | L1824 L1826 L1878 V1882 F1906 N1908 A1909 V1911 | L1824-L1880 HydrophobicContact CB-CD1 4.12Å; L1824-L1880 HydrophobicContact CD2-CD1 3.77Å; L1824-L1880 HydrophobicContact CG-CD1 4.13Å; L1824-L1880 CarbonylContact O-C 3.51Å; L1824-L1880 WeakPolarHBondContact O-CA 3.31Å; L1826-L1880 HydrophobicContact CD1-CD1 4.08Å; L1826-L1880 HydrophobicContact CG-CD1 4.39Å; L1878-L1880 HydrophobicContact CG-CB 4.44Å; L1880-V1882 HydrophobicContact CG-CG2 4.49Å; L1880-F1906 HydrophobicContact CB-CE2 4.03Å; L1880-F1906 HydrophobicContact CD2-CE2 3.9Å; L1880-F1906 HydrophobicContact CD2-CZ 3.62Å; L1880-F1906 HydrophobicContact CG-CE2 3.64Å; L1880-F1906 HydrophobicContact CG-CZ 3.76Å; L1880-F1906 VanDerWaalsContact O-CE2 3.29Å; L1880-F1906 WeakPolarHBondContact O-CE2 3.43Å; L1880-N1908 PolarHBondContact O-N 3.49Å; L1880-A1909 HydrophobicContact CB-CB 4.43Å; L1880-A1909 PolarHBondContact N-O 3.33Å; L1880-A1909 WeakPolarHBondContact O-CB 3.33Å; L1880-A1909 PolarHBondContact O-N 2.91Å; L1880-V1911 HydrophobicContact CB-CG2 4.26Å |
| 1881 | S | 75.5 | Confident | 76.8 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 144.4 | 168.4 | -58.6 | 0 | 0 | 0 | 0 | 109 | L1824 Q1825 L1826 F1906 N1908 | L1824-S1881 PolarHBondContact O-N 3.11Å; Q1825-S1881 WeakPolarHBondContact CA-O 3.26Å; L1826-S1881 PolarHBondContact N-O 2.88Å; S1881-F1906 CarbonylContact C-O 3.48Å; S1881-F1906 WeakPolarHBondContact CA-O 3.33Å; S1881-N1908 PolarHBondContact OG-N 2.84Å |
| 1882 | V | 75.3 | Confident | 76.3 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 130.1 | 176.5 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | L1826 L1880 L1903 I1904 C1905 F1906 | L1826-V1882 HydrophobicContact CB-CG2 4.25Å; L1826-V1882 HydrophobicContact CD1-CG2 4.44Å; L1826-V1882 CarbonylContact O-C 3.6Å; L1826-V1882 WeakPolarHBondContact O-CA 3.38Å; L1880-V1882 HydrophobicContact CG-CG2 4.49Å; V1882-L1903 HydrophobicContact CG1-CB 4.29Å; V1882-L1903 HydrophobicContact CG1-CD2 3.96Å; V1882-I1904 WeakPolarHBondContact CG1-O 3.28Å; V1882-C1905 VanDerWaalsContact O-CA 3.29Å; V1882-C1905 WeakPolarHBondContact O-CA 3.45Å; V1882-C1905 PolarHBondContact O-SG 2.82Å; V1882-C1905 VanDerWaalsContact O-SG 3.35Å; V1882-F1906 HydrophobicContact CB-CD1 4.14Å; V1882-F1906 HydrophobicContact CB-CE1 3.76Å; V1882-F1906 HydrophobicContact CB-CZ 4.02Å; V1882-F1906 HydrophobicContact CG2-CD1 4.34Å; V1882-F1906 HydrophobicContact CG2-CE1 3.49Å; V1882-F1906 VanDerWaalsContact CG2-CE1 3.49Å; V1882-F1906 HydrophobicContact CG2-CE2 4.11Å; V1882-F1906 HydrophobicContact CG2-CZ 3.36Å; V1882-F1906 PolarHBondContact N-O 2.91Å; V1882-F1906 PolarHBondContact O-N 2.94Å; V1882-F1906 VanDerWaalsContact O-N 3.08Å; V1882-F1906 VanDerWaalsContact O-O 3.13Å |
| 1883 | V | 70.9 | Confident | 75.3 | Confident | 44 Ų | 44 | 58 Ų | 58 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.8 | 175.7 | -178.9 | 0 | 0 | 0 | 0 | 109 | L1826 E1827 E1828 | L1826-V1883 PolarHBondContact O-N 3.26Å; E1827-V1883 HydrophobicContact CG-CB 4.37Å; E1828-V1883 WeakPolarHBondContact CB-O 3.32Å; E1828-V1883 PolarHBondContact N-O 2.91Å |
| 1884 | T | 67.7 | Low | 74.3 | Confident | 54 Ų | 54 | 65 Ų | 65 | 33% | 0.331 | 32% | 0.324 | S | S | . | . | trans | -91.1 | 153.7 | 178 | 53.1 | 0 | 0 | 0 | 0 | 111.6 | E1828 L1903 C1905 | E1828-T1884 VanDerWaalsContact OE2-CA 3.3Å; E1828-T1884 WeakPolarHBondContact OE2-CA 3.13Å; E1828-T1884 WeakPolarHBondContact OE2-CB 3.39Å; T1884-L1903 HydrophobicContact CG2-CB 3.92Å; T1884-C1905 HydrophobicContact CG2-CB 4.33Å | ||
| 1885 | S | 62.7 | Low | 73.5 | Confident | 46 Ų | 46 | 64.4 Ų | 64.4 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | trans | -120.3 | 135.1 | 179.5 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | E1828 | E1828-S1885 PolarHBondContact OE2-N 2.9Š| ||
| 1886 | S | 54.7 | Low | 72.6 | Confident | 87 Ų | 87 | 66 Ų | 66 | 61% | 0.608 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -75.2 | -32.6 | 177.8 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | E2001 | S1886-E2001 VanDerWaalsContact CB-OE1 3.23Å; S1886-E2001 WeakPolarHBondContact CB-OE1 3.44Å |
| 1887 | L | 61.7 | Low | 71.7 | Confident | 145 Ų | 145 | 70.2 Ų | 70.2 | 76% | 0.759 | 34% | 0.339 | S | S | * | . | trans | -114.8 | 71.3 | -171.1 | -73 | 158.2 | 0 | 0 | 0 | 111.2 | ||||
| 1888 | L | 68.3 | Low | 70.7 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | trans | -79.9 | 133 | 170.2 | -73.9 | 171.9 | 0 | 0 | 0 | 110.8 | E1828 N1829 L1892 L1893 K1896 | E1828-L1888 HydrophobicContact CG-CD1 4.03Å; E1828-L1888 HydrophobicContact CG-CD2 4.34Å; N1829-L1888 HydrophobicContact CB-CD2 4.47Å; L1888-L1892 HydrophobicContact CB-CB 4.49Å; L1888-L1892 HydrophobicContact CD2-CB 4.32Å; L1888-L1892 HydrophobicContact CD2-CD1 4.14Å; L1888-L1893 HydrophobicContact CB-CD2 3.88Å; L1888-L1893 HydrophobicContact CB-CG 3.8Å; L1888-L1893 HydrophobicContact CD1-CD2 4.15Å; L1888-L1893 WeakPolarHBondContact O-CD1 3.32Å; L1888-K1896 HydrophobicContact CD1-CD 4.02Å | ||
| 1889 | P | 70.8 | Confident | 69.5 | Low | 73 Ų | 73 | 74.1 Ų | 74.1 | 47% | 0.474 | 36% | 0.357 | S | S | . | . | trans | -53.5 | 148.3 | 170.6 | -25.5 | 32.7 | 0 | 0 | 0 | 112.2 | R1891 L1892 L1893 | P1889-R1891 PolarHBondContact O-N 3.1Å; P1889-L1892 PolarHBondContact O-N 3.09Å; P1889-L1893 PolarHBondContact O-N 2.8Å; P1889-L1893 VanDerWaalsContact O-N 3.15Å | ||
| 1890 | K | 70.2 | Confident | 68.1 | Low | 193 Ų | 193 | 78.3 Ų | 78.3 | 84% | 0.839 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -49.2 | -35.7 | -177.6 | -68.7 | -176.5 | -179.3 | 177 | 0 | 113.4 | R1894 | K1890-R1894 PolarHBondContact O-N 2.85Å |
| 1891 | R | 69 | Low | 66.8 | Low | 131 Ų | 131 | 83.7 Ų | 83.7 | 49% | 0.494 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 177.5 | -175.9 | 173.1 | 173.9 | 151.3 | -5.4 | 112.7 | P1889 | P1889-R1891 PolarHBondContact O-N 3.1Å |
| 1892 | L | 75.5 | Confident | 65.8 | Low | 10 Ų | 10 | 88 Ų | 88 | 5% | 0.052 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -76 | -35.2 | -179 | -60.3 | -175.6 | 0 | 0 | 0 | 112 | N1829 W1832 K1833 L1888 P1889 R1894 I1895 K1896 | N1829-L1892 WeakPolarHBondContact OD1-CD1 3.35Å; W1832-L1892 HydrophobicContact CB-CB 4.19Å; W1832-L1892 HydrophobicContact CB-CD1 4.37Å; W1832-L1892 HydrophobicContact CB-CD2 4.02Å; W1832-L1892 HydrophobicContact CB-CG 4.41Å; K1833-L1892 HydrophobicContact CG-CD1 4.05Å; K1833-L1892 HydrophobicContact CG-CD2 4.13Å; L1888-L1892 HydrophobicContact CB-CB 4.49Å; L1888-L1892 HydrophobicContact CD2-CB 4.32Å; L1888-L1892 HydrophobicContact CD2-CD1 4.14Å; P1889-L1892 PolarHBondContact O-N 3.09Å; L1892-R1894 PolarHBondContact O-N 3.49Å; L1892-I1895 HydrophobicContact CD2-CD1 4.35Å; L1892-I1895 PolarHBondContact O-N 3.32Å; L1892-I1895 VanDerWaalsContact O-N 3.09Å; L1892-K1896 PolarHBondContact O-N 2.89Å |
| 1893 | L | 70.3 | Confident | 65.3 | Low | 66 Ų | 66 | 88.9 Ų | 88.9 | 35% | 0.346 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -57.4 | -36.9 | 172.8 | -76 | 172.5 | 0 | 0 | 0 | 112.5 | L1888 P1889 R1897 | L1888-L1893 HydrophobicContact CB-CD2 3.88Å; L1888-L1893 HydrophobicContact CB-CG 3.8Å; L1888-L1893 HydrophobicContact CD1-CD2 4.15Å; L1888-L1893 WeakPolarHBondContact O-CD1 3.32Å; P1889-L1893 PolarHBondContact O-N 2.8Å; P1889-L1893 VanDerWaalsContact O-N 3.15Å; L1893-R1897 VanDerWaalsContact O-CG 3.29Å; L1893-R1897 WeakPolarHBondContact O-CG 3.28Å; L1893-R1897 PolarHBondContact O-N 3.48Å; L1893-R1897 VanDerWaalsContact O-N 3.11Å |
| 1894 | R | 69.5 | Low | 64.9 | Low | 170 Ų | 170 | 91.2 Ų | 91.2 | 64% | 0.642 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.2 | -45.8 | 174.7 | -178.9 | -178.9 | 168.7 | 172.4 | 1.7 | 111.6 | K1890 L1892 R1897 E1898 | K1890-R1894 PolarHBondContact O-N 2.85Å; L1892-R1894 PolarHBondContact O-N 3.49Å; R1894-R1897 WeakPolarHBondContact O-CB 3.46Å; R1894-R1897 PolarHBondContact O-N 3.21Å; R1894-E1898 WeakPolarHBondContact CG-OE1 3.35Å; R1894-E1898 IonicContact CZ-OE1 2.88Å; R1894-E1898 IonicContact NE-OE1 2.62Å; R1894-E1898 PolarHBondContact NE-OE1 2.98Å; R1894-E1898 IonicContact NH2-OE1 3.64Å; R1894-E1898 WeakPolarHBondContact O-CG 2.73Å; R1894-E1898 PolarHBondContact O-N 2.82Å |
| 1895 | I | 70.5 | Confident | 64.7 | Low | 8 Ų | 8 | 91.1 Ų | 91.1 | 4% | 0.041 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.2 | -41.4 | -179.5 | -59.2 | 175.6 | 0 | 0 | 0 | 110.9 | W1832 N1836 L1892 R1897 E1898 H1899 | W1832-I1895 HydrophobicContact CE3-CG2 3.91Å; W1832-I1895 HydrophobicContact CZ3-CG2 4.39Å; N1836-I1895 HydrophobicContact CB-CD1 3.64Å; L1892-I1895 HydrophobicContact CD2-CD1 4.35Å; L1892-I1895 PolarHBondContact O-N 3.32Å; L1892-I1895 VanDerWaalsContact O-N 3.09Å; I1895-R1897 VanDerWaalsContact C-N 3.29Å; I1895-R1897 PolarHBondContact O-N 3.03Å; I1895-E1898 WeakPolarHBondContact O-CB 3.29Å; I1895-E1898 PolarHBondContact O-N 2.89Å; I1895-H1899 PolarHBondContact O-N 3.21Å; I1895-H1899 PolarHBondContact O-ND1 2.75Å |
| 1896 | K | 68.5 | Low | 64.8 | Low | 65 Ų | 65 | 89.8 Ų | 89.8 | 28% | 0.283 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -55.2 | -44.3 | 172.5 | 177.3 | 172.7 | -179.3 | 171.7 | 0 | 111.8 | E1828 W1832 L1888 L1892 E1898 H1899 N1900 | E1828-K1896 WeakPolarHBondContact OE1-CD 3.43Å; E1828-K1896 VanDerWaalsContact OE1-CE 3.27Å; E1828-K1896 WeakPolarHBondContact OE1-CE 3.26Å; E1828-K1896 IonicContact OE1-NZ 3.3Å; E1828-K1896 PolarHBondContact OE1-NZ 3.45Å; E1828-K1896 IonicContact OE2-NZ 3.99Å; W1832-K1896 HydrophobicContact CD2-CB 4.15Å; W1832-K1896 HydrophobicContact CH2-CB 4.21Å; W1832-K1896 HydrophobicContact CH2-CG 4.3Å; W1832-K1896 HydrophobicContact CZ2-CB 3.73Å; W1832-K1896 HydrophobicContact CZ2-CD 4.26Å; W1832-K1896 HydrophobicContact CZ2-CG 3.6Å; L1888-K1896 HydrophobicContact CD1-CD 4.02Å; L1892-K1896 PolarHBondContact O-N 2.89Å; K1896-E1898 VanDerWaalsContact C-N 3.34Å; K1896-H1899 PolarHBondContact O-N 2.89Å; K1896-N1900 PolarHBondContact O-N 2.73Å |
| 1897 | R | 65.2 | Low | 65.4 | Low | 180 Ų | 180 | 91 Ų | 91 | 68% | 0.679 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -68.3 | -29.1 | 176.1 | -70.7 | 172.8 | -176.7 | -176.1 | 1.1 | 113.2 | L1893 R1894 I1895 N1900 | L1893-R1897 VanDerWaalsContact O-CG 3.29Å; L1893-R1897 WeakPolarHBondContact O-CG 3.28Å; L1893-R1897 PolarHBondContact O-N 3.48Å; L1893-R1897 VanDerWaalsContact O-N 3.11Å; R1894-R1897 WeakPolarHBondContact O-CB 3.46Å; R1894-R1897 PolarHBondContact O-N 3.21Å; I1895-R1897 VanDerWaalsContact C-N 3.29Å; I1895-R1897 PolarHBondContact O-N 3.03Å; R1897-N1900 PolarHBondContact O-OD1 2.79Å |
| 1898 | E | 62.3 | Low | 65.9 | Low | 103 Ų | 103 | 87 Ų | 87 | 48% | 0.481 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -73.4 | -31.7 | 178.6 | -74.1 | 169.3 | -177.3 | 0 | 0 | 112.4 | R1894 I1895 K1896 | R1894-E1898 WeakPolarHBondContact CG-OE1 3.35Å; R1894-E1898 IonicContact CZ-OE1 2.88Å; R1894-E1898 IonicContact NE-OE1 2.62Å; R1894-E1898 PolarHBondContact NE-OE1 2.98Å; R1894-E1898 IonicContact NH2-OE1 3.64Å; R1894-E1898 WeakPolarHBondContact O-CG 2.73Å; R1894-E1898 PolarHBondContact O-N 2.82Å; I1895-E1898 WeakPolarHBondContact O-CB 3.29Å; I1895-E1898 PolarHBondContact O-N 2.89Å; K1896-E1898 VanDerWaalsContact C-N 3.34Å |
| 1899 | H | 62.6 | Low | 66.2 | Low | 74 Ų | 74 | 86.3 Ų | 86.3 | 34% | 0.343 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -94.5 | -9.6 | -175.3 | -69.6 | 78.1 | 0 | 0 | 0 | 115.3 | W1832 I1895 K1896 F1901 | W1832-H1899 HydrophobicContact CH2-CB 4.16Å; W1832-H1899 HydrophobicContact CZ3-CB 3.95Å; I1895-H1899 PolarHBondContact O-N 3.21Å; I1895-H1899 PolarHBondContact O-ND1 2.75Å; K1896-H1899 PolarHBondContact O-N 2.89Å; H1899-F1901 PolarHBondContact O-N 2.97Å; H1899-F1901 VanDerWaalsContact O-N 3.12Å |
| 1900 | N | 54.6 | Low | 66.6 | Low | 144 Ų | 144 | 86 Ų | 86 | 77% | 0.77 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 35.4 | 176.9 | -79.5 | -17.4 | 0 | 0 | 0 | 115.4 | K1896 R1897 | K1896-N1900 PolarHBondContact O-N 2.73Å; R1897-N1900 PolarHBondContact O-OD1 2.79Å |
| 1901 | F | 57.1 | Low | 67.1 | Low | 128 Ų | 128 | 76.9 Ų | 76.9 | 56% | 0.561 | 37% | 0.367 | S | S | * | . | trans | -113.9 | 98.6 | 179.1 | -172.2 | -100 | 0 | 0 | 0 | 110.4 | H1899 L1903 | H1899-F1901 PolarHBondContact O-N 2.97Å; H1899-F1901 VanDerWaalsContact O-N 3.12Å; F1901-L1903 HydrophobicContact CD1-CD2 4.02Å; F1901-L1903 HydrophobicContact CD1-CG 4.21Å; F1901-L1903 HydrophobicContact CE1-CD2 3.68Å; F1901-L1903 HydrophobicContact CE1-CG 4.32Å; F1901-L1903 PolarHBondContact O-N 2.82Å | ||
| 1902 | P | 55.2 | Low | 67.7 | Low | 106 Ų | 106 | 74.6 Ų | 74.6 | 69% | 0.688 | 37% | 0.365 | S | S | * | . | trans | -72.9 | 122 | 176.5 | 28.6 | -31.6 | 0 | 0 | 0 | 110.3 | ||||
| 1903 | L | 64.7 | Low | 67.8 | Low | 25 Ų | 25 | 74.9 Ų | 74.9 | 13% | 0.131 | 37% | 0.366 | C | S | . | . | trans | -83.8 | 136.1 | 173.8 | -68.8 | 156 | 0 | 0 | 0 | 109.5 | E1828 L1831 W1832 V1882 T1884 F1901 | E1828-L1903 HydrophobicContact CB-CD1 4.22Å; E1828-L1903 HydrophobicContact CG-CD1 3.72Å; L1831-L1903 HydrophobicContact CD2-CD1 3.75Å; L1831-L1903 HydrophobicContact CD2-CD2 3.85Å; L1831-L1903 HydrophobicContact CD2-CG 4.41Å; W1832-L1903 HydrophobicContact CZ2-CD1 4.02Å; V1882-L1903 HydrophobicContact CG1-CB 4.29Å; V1882-L1903 HydrophobicContact CG1-CD2 3.96Å; T1884-L1903 HydrophobicContact CG2-CB 3.92Å; F1901-L1903 HydrophobicContact CD1-CD2 4.02Å; F1901-L1903 HydrophobicContact CD1-CG 4.21Å; F1901-L1903 HydrophobicContact CE1-CD2 3.68Å; F1901-L1903 HydrophobicContact CE1-CG 4.32Å; F1901-L1903 PolarHBondContact O-N 2.82Å | ||
| 1904 | I | 61.4 | Low | 68.5 | Low | 93 Ų | 93 | 75.8 Ų | 75.8 | 48% | 0.477 | 37% | 0.374 | S | S | . | . | trans | -111.8 | 135 | 173.6 | -59.4 | 173.6 | 0 | 0 | 0 | 106.8 | V1882 F1906 L1948 V1951 | V1882-I1904 WeakPolarHBondContact CG1-O 3.28Å; I1904-F1906 WeakPolarHBondContact O-CD1 3.46Å; I1904-F1906 WeakPolarHBondContact O-CE1 3.32Å; I1904-L1948 HydrophobicContact CD1-CD2 4.3Å; I1904-V1951 HydrophobicContact CG2-CG2 4.31Å | ||
| 1905 | C | 63.4 | Low | 69.3 | Low | 53 Ų | 53 | 69.7 Ų | 69.7 | 36% | 0.358 | 36% | 0.357 | S | S | . | . | trans | -72.8 | 127.7 | 175 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | V1882 T1884 V1951 | V1882-C1905 VanDerWaalsContact O-CA 3.29Å; V1882-C1905 WeakPolarHBondContact O-CA 3.45Å; V1882-C1905 PolarHBondContact O-SG 2.82Å; V1882-C1905 VanDerWaalsContact O-SG 3.35Å; T1884-C1905 HydrophobicContact CG2-CB 4.33Å; C1905-V1951 WeakPolarHBondContact O-CG1 3.5Å | ||
| 1906 | F | 65.3 | Low | 70 | Confident | 18 Ų | 18 | 70 Ų | 70 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 159.9 | 173 | 58.6 | -91.9 | 0 | 0 | 0 | 109.6 | L1880 S1881 V1882 I1904 A1909 I1947 V1951 | L1880-F1906 HydrophobicContact CB-CE2 4.03Å; L1880-F1906 HydrophobicContact CD2-CE2 3.9Å; L1880-F1906 HydrophobicContact CD2-CZ 3.62Å; L1880-F1906 HydrophobicContact CG-CE2 3.64Å; L1880-F1906 HydrophobicContact CG-CZ 3.76Å; L1880-F1906 VanDerWaalsContact O-CE2 3.29Å; L1880-F1906 WeakPolarHBondContact O-CE2 3.43Å; S1881-F1906 CarbonylContact C-O 3.48Å; S1881-F1906 WeakPolarHBondContact CA-O 3.33Å; V1882-F1906 HydrophobicContact CB-CD1 4.14Å; V1882-F1906 HydrophobicContact CB-CE1 3.76Å; V1882-F1906 HydrophobicContact CB-CZ 4.02Å; V1882-F1906 HydrophobicContact CG2-CD1 4.34Å; V1882-F1906 HydrophobicContact CG2-CE1 3.49Å; V1882-F1906 VanDerWaalsContact CG2-CE1 3.49Å; V1882-F1906 HydrophobicContact CG2-CE2 4.11Å; V1882-F1906 HydrophobicContact CG2-CZ 3.36Å; V1882-F1906 PolarHBondContact N-O 2.91Å; V1882-F1906 PolarHBondContact O-N 2.94Å; V1882-F1906 VanDerWaalsContact O-N 3.08Å; V1882-F1906 VanDerWaalsContact O-O 3.13Å; I1904-F1906 WeakPolarHBondContact O-CD1 3.46Å; I1904-F1906 WeakPolarHBondContact O-CE1 3.32Å; F1906-A1909 HydrophobicContact CD2-CB 3.74Å; F1906-A1909 HydrophobicContact CE2-CB 3.72Å; F1906-I1947 HydrophobicContact CD1-CG2 3.73Å; F1906-I1947 HydrophobicContact CD2-CG2 3.85Å; F1906-I1947 HydrophobicContact CE1-CG2 3.56Å; F1906-I1947 HydrophobicContact CE2-CG2 3.65Å; F1906-I1947 HydrophobicContact CG-CG2 3.89Å; F1906-I1947 HydrophobicContact CZ-CG2 3.51Å; F1906-V1951 HydrophobicContact CB-CB 4.49Å; F1906-V1951 HydrophobicContact CB-CG2 3.81Å |
| 1907 | Q | 68.1 | Low | 70.7 | Confident | 113 Ų | 113 | 75 Ų | 75 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 133.9 | -177 | -63.2 | -171.6 | 0.7 | 0 | 0 | 111.2 | A1909 | Q1907-A1909 PolarHBondContact O-N 2.9Å |
| 1908 | N | 72.2 | Confident | 71.3 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 32% | 0.321 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 58.1 | 43.4 | 170 | -165.4 | 38.8 | 0 | 0 | 0 | 114.7 | F1879 L1880 S1881 P1910 L2105 | F1879-N1908 VanDerWaalsContact CD1-OD1 3.25Å; F1879-N1908 WeakPolarHBondContact CD1-OD1 3.31Å; L1880-N1908 PolarHBondContact O-N 3.49Å; S1881-N1908 PolarHBondContact OG-N 2.84Å; N1908-P1910 WeakPolarHBondContact O-CD 3.44Å; N1908-L2105 HydrophobicContact CB-CD1 4.42Å; N1908-L2105 VanDerWaalsContact ND2-CD1 3.29Å; N1908-L2105 WeakPolarHBondContact ND2-CD1 3.18Å; N1908-L2105 WeakPolarHBondContact OD1-CD1 3.24Å |
| 1909 | A | 74.3 | Confident | 71.8 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 114.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | F1879 L1880 F1906 Q1907 V1911 I1947 S1950 | F1879-A1909 WeakPolarHBondContact CA-O 3.08Å; L1880-A1909 HydrophobicContact CB-CB 4.43Å; L1880-A1909 PolarHBondContact N-O 3.33Å; L1880-A1909 WeakPolarHBondContact O-CB 3.33Å; L1880-A1909 PolarHBondContact O-N 2.91Å; F1906-A1909 HydrophobicContact CD2-CB 3.74Å; F1906-A1909 HydrophobicContact CE2-CB 3.72Å; Q1907-A1909 PolarHBondContact O-N 2.9Å; A1909-V1911 HydrophobicContact CB-CG2 4.39Å; A1909-V1911 PolarHBondContact O-N 2.84Å; A1909-I1947 HydrophobicContact CB-CB 4.4Å; A1909-I1947 HydrophobicContact CB-CG1 4.12Å; A1909-I1947 HydrophobicContact CB-CG2 4.33Å; A1909-S1950 WeakPolarHBondContact CB-OG 3.48Å |
| 1910 | P | 79.3 | Confident | 71.9 | Confident | 66 Ų | 66 | 70 Ų | 70 | 43% | 0.429 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 114.6 | 170.4 | 30.4 | -31.3 | 0 | 0 | 0 | 109.1 | F1879 N1908 | F1879-P1910 HydrophobicContact CD1-CB 4.27Å; F1879-P1910 HydrophobicContact CE1-CB 4.06Å; N1908-P1910 WeakPolarHBondContact O-CD 3.44Å |
| 1911 | V | 80.2 | Confident | 72.4 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 117.3 | 179.1 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | L1878 L1880 A1909 I1913 L1940 I1947 | L1878-V1911 HydrophobicContact CB-CB 4.32Å; L1878-V1911 HydrophobicContact CD2-CB 4.19Å; L1878-V1911 HydrophobicContact CG-CB 4.43Å; L1878-V1911 PolarHBondContact N-O 2.84Å; L1878-V1911 PolarHBondContact O-N 2.81Å; L1880-V1911 HydrophobicContact CB-CG2 4.26Å; A1909-V1911 HydrophobicContact CB-CG2 4.39Å; A1909-V1911 PolarHBondContact O-N 2.84Å; V1911-I1913 HydrophobicContact CG1-CD1 4.38Å; V1911-I1913 HydrophobicContact CG1-CG1 3.87Å; V1911-I1913 PolarHBondContact O-N 2.87Å; V1911-L1940 HydrophobicContact CG1-CD2 4.03Å; V1911-I1947 HydrophobicContact CG2-CD1 4.09Å; V1911-I1947 HydrophobicContact CG2-CG1 3.97Å |
| 1912 | D | 80.7 | Confident | 73.1 | Confident | 83 Ų | 83 | 59.9 Ų | 59.9 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | trans | -89.3 | 103.1 | 179 | -59.8 | -49.4 | 0 | 0 | 0 | 109.7 | Q1943 K1946 | D1912-Q1943 PolarHBondContact O-NE2 2.87Å; D1912-K1946 IonicContact OD2-NZ 3.55Å; D1912-K1946 PolarHBondContact OD2-NZ 2.85Å | ||
| 1913 | I | 79.4 | Confident | 73.9 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | trans | -98.7 | 114.7 | -177.4 | -56.4 | 173.9 | 0 | 0 | 0 | 110.2 | I1875 L1878 V1911 F1936 | I1875-I1913 HydrophobicContact CD1-CD1 4.06Å; L1878-I1913 HydrophobicContact CB-CD1 4.13Å; L1878-I1913 HydrophobicContact CD2-CD1 3.54Å; L1878-I1913 HydrophobicContact CG-CD1 4.47Å; V1911-I1913 HydrophobicContact CG1-CD1 4.38Å; V1911-I1913 HydrophobicContact CG1-CG1 3.87Å; V1911-I1913 PolarHBondContact O-N 2.87Å; I1913-F1936 HydrophobicContact CG2-CD1 3.71Å; I1913-F1936 HydrophobicContact CG2-CE1 3.56Å | ||
| 1914 | V | 83.8 | Confident | 74.2 | Confident | 86 Ų | 86 | 55 Ų | 55 | 52% | 0.521 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 135.5 | 172.3 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | F1916 H1935 M1939 | V1914-F1916 PolarHBondContact O-N 2.86Å; V1914-H1935 PolarHBondContact O-NE2 3.36Å; V1914-M1939 HydrophobicContact CB-CE 3.24Å; V1914-M1939 HydrophobicContact CG1-CE 4.43Å; V1914-M1939 HydrophobicContact CG2-CE 3.32Å |
| 1915 | P | 86.3 | Confident | 74.7 | Confident | 42 Ų | 42 | 55.5 Ų | 55.5 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 136.1 | 178.3 | -30.1 | 36.3 | 0 | 0 | 0 | 113.7 | V1873 R1917 | V1873-P1915 CarbonylContact O-C 3.58Å; V1873-P1915 WeakPolarHBondContact O-CA 3.36Å; P1915-R1917 HydrophobicContact CB-CG 4.22Å; P1915-R1917 PolarHBondContact O-N 2.95Å |
| 1916 | F | 86.2 | Confident | 75 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 6% | 0.057 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 120.4 | 164 | 178.6 | -98.4 | 0 | 0 | 0 | 108.3 | L1871 C1872 V1873 V1914 Q1918 A1931 I1932 H1935 F1936 | L1871-F1916 HydrophobicContact CD2-CD1 4.43Å; L1871-F1916 HydrophobicContact CD2-CE1 3.74Å; L1871-F1916 HydrophobicContact CG-CD1 4.29Å; L1871-F1916 HydrophobicContact CG-CE1 4.04Å; C1872-F1916 CarbonylContact C-O 3.58Å; C1872-F1916 VanDerWaalsContact CA-O 3.29Å; C1872-F1916 WeakPolarHBondContact CA-O 3.4Å; V1873-F1916 HydrophobicContact CB-CB 4.36Å; V1873-F1916 PolarHBondContact N-O 2.83Å; V1873-F1916 PolarHBondContact O-N 2.82Å; V1914-F1916 PolarHBondContact O-N 2.86Å; F1916-Q1918 HydrophobicContact CE1-CB 4.13Å; F1916-Q1918 HydrophobicContact CZ-CB 4.31Å; F1916-A1931 HydrophobicContact CE2-CB 4.16Å; F1916-A1931 HydrophobicContact CZ-CB 4.03Å; F1916-I1932 HydrophobicContact CD1-CD1 4.48Å; F1916-I1932 HydrophobicContact CD1-CG1 3.73Å; F1916-I1932 HydrophobicContact CE1-CD1 4.23Å; F1916-I1932 HydrophobicContact CE1-CG1 3.5Å; F1916-I1932 HydrophobicContact CE2-CG1 4.34Å; F1916-I1932 HydrophobicContact CG-CG1 4.24Å; F1916-I1932 HydrophobicContact CZ-CG1 3.83Å; F1916-H1935 HydrophobicContact CD2-CB 3.67Å; F1916-H1935 AromaticContact CD2-CG 3.68Å; F1916-H1935 AromaticContact CD2-ND1 3.83Å; F1916-H1935 HydrophobicContact CE2-CB 4.24Å; F1916-F1936 HydrophobicContact CB-CE2 4.14Å; F1916-F1936 HydrophobicContact CB-CZ 4.25Å |
| 1917 | R | 82.4 | Confident | 75.4 | Confident | 170 Ų | 170 | 61.6 Ų | 61.6 | 64% | 0.642 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124.1 | 179.6 | -67.8 | -176.8 | -179.4 | 174 | 2.6 | 109.8 | L1871 C1872 P1915 | L1871-R1917 CarbonylContact O-C 3.55Å; L1871-R1917 WeakPolarHBondContact O-CA 3.4Å; C1872-R1917 HydrophobicContact CB-CG 4.5Å; P1915-R1917 HydrophobicContact CB-CG 4.22Å; P1915-R1917 PolarHBondContact O-N 2.95Å |
| 1918 | Q | 77.9 | Confident | 75.9 | Confident | 57 Ų | 57 | 56.9 Ų | 56.9 | 27% | 0.266 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 121.4 | 170.8 | -169.9 | 64.4 | 46.2 | 0 | 0 | 108.2 | L1871 F1916 C1921 F1928 | L1871-Q1918 HydrophobicContact CB-CB 4.31Å; L1871-Q1918 HydrophobicContact CD2-CB 4.49Å; L1871-Q1918 PolarHBondContact N-O 3.05Å; L1871-Q1918 PolarHBondContact O-N 2.99Å; F1916-Q1918 HydrophobicContact CE1-CB 4.13Å; F1916-Q1918 HydrophobicContact CZ-CB 4.31Å; Q1918-C1921 HydrophobicContact CG-CB 3.48Å; Q1918-C1921 VanDerWaalsContact CG-CB 3.48Å; Q1918-C1921 PolarHBondContact NE2-SG 3.39Å; Q1918-F1928 HydrophobicContact CG-CE1 3.93Å |
| 1919 | M | 72 | Confident | 75.9 | Confident | 107 Ų | 107 | 56.3 Ų | 56.3 | 53% | 0.527 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 144.4 | 179.7 | -62.6 | -65.4 | -149.1 | 0 | 0 | 109.5 | M1870 C1921 | M1870-M1919 HydrophobicContact CB-SD 3.65Å; M1870-M1919 HydrophobicContact CG-CE 3.98Å; M1870-M1919 HydrophobicContact CG-SD 3.48Å; M1870-M1919 WeakPolarHBondContact CG-SD 3.33Å; M1870-M1919 HydrophobicContact SD-CE 3.8Å; M1870-M1919 HydrophobicContact SD-SD 4.12Å; M1919-C1921 VanDerWaalsContact C-N 3.31Å; M1919-C1921 PolarHBondContact O-N 2.67Å |
| 1920 | E | 64.5 | Low | 75.7 | Confident | 90 Ų | 90 | 60.8 Ų | 60.8 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 46.5 | 49.4 | 169.2 | -55.1 | -179.5 | 164 | 0 | 0 | 113.8 | R1660 V1868 G1869 | R1660-E1920 IonicContact CZ-OE1 3.77Å; R1660-E1920 IonicContact NH2-OE1 2.75Å; R1660-E1920 PolarHBondContact NH2-OE1 2.81Å; R1660-E1920 IonicContact NH2-OE2 2.73Å; V1868-E1920 CarbonylContact O-C 3.59Å; V1868-E1920 VanDerWaalsContact O-CA 3.31Å; V1868-E1920 WeakPolarHBondContact O-CA 3.48Å; V1868-E1920 PolarHBondContact O-N 2.91Å; V1868-E1920 VanDerWaalsContact O-N 3.09Å; G1869-E1920 PolarHBondContact O-N 3.15Å |
| 1921 | C | 65.7 | Low | 75.5 | Confident | 13 Ų | 13 | 59 Ų | 59 | 9% | 0.088 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 123.2 | -170 | -167.1 | 0 | 0 | 0 | 0 | 111.4 | V1868 Q1918 M1919 Q1923 F1928 | V1868-C1921 PolarHBondContact N-O 3.46Å; V1868-C1921 PolarHBondContact O-N 2.86Å; Q1918-C1921 HydrophobicContact CG-CB 3.48Å; Q1918-C1921 VanDerWaalsContact CG-CB 3.48Å; Q1918-C1921 PolarHBondContact NE2-SG 3.39Å; M1919-C1921 VanDerWaalsContact C-N 3.31Å; M1919-C1921 PolarHBondContact O-N 2.67Å; C1921-Q1923 WeakPolarHBondContact SG-CG 3.34Å; C1921-F1928 HydrophobicContact CB-CE1 4.1Å; C1921-F1928 HydrophobicContact CB-CZ 4.12Å |
| 1922 | L | 71.9 | Confident | 75.4 | Confident | 45 Ų | 45 | 61 Ų | 61 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 103.8 | 174.2 | 179.5 | 67.6 | 0 | 0 | 0 | 109.6 | L1809 L1865 F1866 Y1867 | L1809-L1922 HydrophobicContact CD1-CD1 3.32Å; L1865-L1922 HydrophobicContact CB-CD1 3.92Å; F1866-L1922 WeakPolarHBondContact O-CA 3.4Å; Y1867-L1922 HydrophobicContact CD2-CB 4.44Å |
| 1923 | Q | 72.2 | Confident | 74.9 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 6% | 0.056 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 168 | -173.8 | -73.9 | -67.3 | -21.9 | 0 | 0 | 112 | S1353 F1866 C1921 F1927 F1928 | S1353-Q1923 PolarHBondContact O-NE2 2.76Å; S1353-Q1923 PolarHBondContact OG-NE2 2.66Å; S1353-Q1923 PolarHBondContact OG-OE1 3.3Å; S1353-Q1923 VanDerWaalsContact OG-OE1 3.12Å; F1866-Q1923 WeakPolarHBondContact CA-O 3.43Å; F1866-Q1923 WeakPolarHBondContact CB-O 3.35Å; F1866-Q1923 PolarHBondContact N-O 2.8Å; F1866-Q1923 PolarHBondContact O-N 2.7Å; F1866-Q1923 VanDerWaalsContact O-O 3.1Å; C1921-Q1923 WeakPolarHBondContact SG-CG 3.34Å; Q1923-F1927 HydrophobicContact CB-CB 4.03Å; Q1923-F1927 HydrophobicContact CB-CD1 3.52Å; Q1923-F1927 HydrophobicContact CB-CE1 4.22Å; Q1923-F1927 HydrophobicContact CB-CG 3.9Å; Q1923-F1927 HydrophobicContact CG-CB 4.47Å; Q1923-F1927 HydrophobicContact CG-CD1 3.43Å; Q1923-F1927 VanDerWaalsContact CG-CD1 3.43Å; Q1923-F1927 HydrophobicContact CG-CD2 4.42Å; Q1923-F1927 HydrophobicContact CG-CE1 3.66Å; Q1923-F1927 HydrophobicContact CG-CG 3.85Å; Q1923-F1927 HydrophobicContact CG-CZ 4.24Å; Q1923-F1928 HydrophobicContact CB-CD2 4.26Å; Q1923-F1928 HydrophobicContact CB-CE1 4.49Å; Q1923-F1928 HydrophobicContact CB-CE2 3.64Å; Q1923-F1928 HydrophobicContact CB-CZ 3.77Å |
| 1924 | S | 70.6 | Confident | 74.5 | Confident | 18 Ų | 18 | 68.7 Ų | 68.7 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | trans | -73.9 | 156.1 | 169.8 | 70.5 | 0 | 0 | 0 | 0 | 111.9 | K1926 F1927 F1928 | S1924-K1926 PolarHBondContact O-N 2.82Å; S1924-F1927 WeakPolarHBondContact O-CB 3.47Å; S1924-F1927 PolarHBondContact O-N 2.91Å; S1924-F1927 VanDerWaalsContact O-N 3.08Å; S1924-F1927 PolarHBondContact OG-N 2.94Å; S1924-F1928 VanDerWaalsContact O-CD2 3.28Å; S1924-F1928 WeakPolarHBondContact O-CD2 3.43Å; S1924-F1928 PolarHBondContact O-N 2.85Å | ||
| 1925 | I | 72.4 | Confident | 74.2 | Confident | 102 Ų | 102 | 66.8 Ų | 66.8 | 52% | 0.523 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.3 | -30 | 174.9 | -163.9 | 151.4 | 0 | 0 | 0 | 113.1 | F1866 F1927 F1928 A1929 | F1866-I1925 HydrophobicContact CD2-CB 4.06Å; F1866-I1925 HydrophobicContact CE1-CD1 4.26Å; F1866-I1925 HydrophobicContact CE2-CB 3.81Å; F1866-I1925 HydrophobicContact CE2-CD1 4.37Å; F1866-I1925 HydrophobicContact CE2-CG2 4.3Å; F1866-I1925 HydrophobicContact CZ-CB 4.29Å; F1866-I1925 HydrophobicContact CZ-CD1 3.97Å; I1925-F1927 VanDerWaalsContact C-N 3.34Å; I1925-F1928 PolarHBondContact O-N 3.19Å; I1925-A1929 WeakPolarHBondContact O-CB 3.4Å; I1925-A1929 PolarHBondContact O-N 2.8Å |
| 1926 | K | 68.7 | Low | 73.9 | Confident | 146 Ų | 146 | 66.7 Ų | 66.7 | 64% | 0.635 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.8 | -38.6 | 175.7 | -70.9 | 177.8 | -179.8 | 167.5 | 0 | 112 | S1924 T1930 | S1924-K1926 PolarHBondContact O-N 2.82Å; K1926-T1930 WeakPolarHBondContact O-CB 3.45Å; K1926-T1930 PolarHBondContact O-N 3.48Å; K1926-T1930 PolarHBondContact O-OG1 2.84Å |
| 1927 | F | 75.3 | Confident | 73.1 | Confident | 54 Ų | 54 | 69.5 Ų | 69.5 | 24% | 0.237 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.9 | -51.6 | 173.8 | 172.1 | -87.2 | 0 | 0 | 0 | 110.3 | Q1923 S1924 I1925 A1929 T1930 A1931 | Q1923-F1927 HydrophobicContact CB-CB 4.03Å; Q1923-F1927 HydrophobicContact CB-CD1 3.52Å; Q1923-F1927 HydrophobicContact CB-CE1 4.22Å; Q1923-F1927 HydrophobicContact CB-CG 3.9Å; Q1923-F1927 HydrophobicContact CG-CB 4.47Å; Q1923-F1927 HydrophobicContact CG-CD1 3.43Å; Q1923-F1927 VanDerWaalsContact CG-CD1 3.43Å; Q1923-F1927 HydrophobicContact CG-CD2 4.42Å; Q1923-F1927 HydrophobicContact CG-CE1 3.66Å; Q1923-F1927 HydrophobicContact CG-CG 3.85Å; Q1923-F1927 HydrophobicContact CG-CZ 4.24Å; S1924-F1927 WeakPolarHBondContact O-CB 3.47Å; S1924-F1927 PolarHBondContact O-N 2.91Å; S1924-F1927 VanDerWaalsContact O-N 3.08Å; S1924-F1927 PolarHBondContact OG-N 2.94Å; I1925-F1927 VanDerWaalsContact C-N 3.34Å; F1927-A1929 PolarHBondContact O-N 3.03Å; F1927-T1930 PolarHBondContact O-N 3.45Å; F1927-A1931 HydrophobicContact CE1-CB 4.47Å; F1927-A1931 WeakPolarHBondContact O-CB 3.34Å; F1927-A1931 PolarHBondContact O-N 2.83Å |
| 1928 | F | 78.3 | Confident | 72.6 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 6% | 0.057 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.9 | -44.9 | -179.9 | -68.4 | -68.8 | 0 | 0 | 0 | 112.3 | F1866 V1868 L1871 Q1918 C1921 Q1923 S1924 I1925 T1930 A1931 I1932 | F1866-F1928 HydrophobicContact CB-CE2 3.97Å; V1868-F1928 HydrophobicContact CB-CE1 4.12Å; V1868-F1928 HydrophobicContact CB-CZ 3.76Å; V1868-F1928 HydrophobicContact CG1-CE1 4.49Å; V1868-F1928 HydrophobicContact CG2-CD2 4.42Å; V1868-F1928 HydrophobicContact CG2-CE1 3.88Å; V1868-F1928 HydrophobicContact CG2-CE2 3.61Å; V1868-F1928 HydrophobicContact CG2-CZ 3.3Å; L1871-F1928 HydrophobicContact CD2-CD1 3.8Å; L1871-F1928 HydrophobicContact CD2-CE1 4.31Å; L1871-F1928 HydrophobicContact CD2-CG 4.46Å; Q1918-F1928 HydrophobicContact CG-CE1 3.93Å; C1921-F1928 HydrophobicContact CB-CE1 4.1Å; C1921-F1928 HydrophobicContact CB-CZ 4.12Å; Q1923-F1928 HydrophobicContact CB-CD2 4.26Å; Q1923-F1928 HydrophobicContact CB-CE1 4.49Å; Q1923-F1928 HydrophobicContact CB-CE2 3.64Å; Q1923-F1928 HydrophobicContact CB-CZ 3.77Å; S1924-F1928 VanDerWaalsContact O-CD2 3.28Å; S1924-F1928 WeakPolarHBondContact O-CD2 3.43Å; S1924-F1928 PolarHBondContact O-N 2.85Å; I1925-F1928 PolarHBondContact O-N 3.19Å; F1928-T1930 PolarHBondContact O-N 3.02Å; F1928-A1931 PolarHBondContact O-N 2.91Å; F1928-I1932 WeakPolarHBondContact O-CB 3.31Å; F1928-I1932 VanDerWaalsContact O-CG1 3.26Å; F1928-I1932 WeakPolarHBondContact O-CG1 3.32Å; F1928-I1932 PolarHBondContact O-N 3.28Å |
| 1929 | A | 71.9 | Confident | 72.4 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 41% | 0.405 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1925 F1927 N1933 | I1925-A1929 WeakPolarHBondContact O-CB 3.4Å; I1925-A1929 PolarHBondContact O-N 2.8Å; F1927-A1929 PolarHBondContact O-N 3.03Å; A1929-N1933 WeakPolarHBondContact O-CB 3.46Å; A1929-N1933 PolarHBondContact O-N 3.24Å; A1929-N1933 PolarHBondContact O-ND2 3.36Å |
| 1930 | T | 69.9 | Low | 72.4 | Confident | 94 Ų | 94 | 63.3 Ų | 63.3 | 58% | 0.577 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -68 | -40.7 | 178.5 | -52.3 | 0 | 0 | 0 | 0 | 111.4 | K1926 F1927 F1928 R1934 | K1926-T1930 WeakPolarHBondContact O-CB 3.45Å; K1926-T1930 PolarHBondContact O-N 3.48Å; K1926-T1930 PolarHBondContact O-OG1 2.84Å; F1927-T1930 PolarHBondContact O-N 3.45Å; F1928-T1930 PolarHBondContact O-N 3.02Å; T1930-R1934 VanDerWaalsContact O-CB 3.31Å; T1930-R1934 WeakPolarHBondContact O-CB 3.27Å; T1930-R1934 PolarHBondContact O-N 3.45Å |
| 1931 | A | 74.6 | Confident | 72.4 | Confident | 27 Ų | 27 | 68.9 Ų | 68.9 | 22% | 0.223 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64 | -46.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1916 F1927 F1928 R1934 H1935 | F1916-A1931 HydrophobicContact CE2-CB 4.16Å; F1916-A1931 HydrophobicContact CZ-CB 4.03Å; F1927-A1931 HydrophobicContact CE1-CB 4.47Å; F1927-A1931 WeakPolarHBondContact O-CB 3.34Å; F1927-A1931 PolarHBondContact O-N 2.83Å; F1928-A1931 PolarHBondContact O-N 2.91Å; A1931-R1934 PolarHBondContact O-N 3.01Å; A1931-H1935 WeakPolarHBondContact O-CB 3.45Å; A1931-H1935 PolarHBondContact O-N 2.83Å |
| 1932 | I | 78.6 | Confident | 72.7 | Confident | 43 Ų | 43 | 73.4 Ų | 73.4 | 22% | 0.221 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.6 | -53.2 | 175.2 | -73.3 | 169.7 | 0 | 0 | 0 | 110.2 | L1871 F1916 F1928 R1934 H1935 F1936 | L1871-I1932 HydrophobicContact CD2-CD1 4.38Å; F1916-I1932 HydrophobicContact CD1-CD1 4.48Å; F1916-I1932 HydrophobicContact CD1-CG1 3.73Å; F1916-I1932 HydrophobicContact CE1-CD1 4.23Å; F1916-I1932 HydrophobicContact CE1-CG1 3.5Å; F1916-I1932 HydrophobicContact CE2-CG1 4.34Å; F1916-I1932 HydrophobicContact CG-CG1 4.24Å; F1916-I1932 HydrophobicContact CZ-CG1 3.83Å; F1928-I1932 WeakPolarHBondContact O-CB 3.31Å; F1928-I1932 VanDerWaalsContact O-CG1 3.26Å; F1928-I1932 WeakPolarHBondContact O-CG1 3.32Å; F1928-I1932 PolarHBondContact O-N 3.28Å; I1932-R1934 VanDerWaalsContact C-N 3.32Å; I1932-R1934 PolarHBondContact O-N 3.16Å; I1932-H1935 PolarHBondContact O-N 3.28Å; I1932-F1936 HydrophobicContact CG2-CD2 3.77Å; I1932-F1936 HydrophobicContact CG2-CE2 3.83Å; I1932-F1936 VanDerWaalsContact O-CD2 3.27Å; I1932-F1936 WeakPolarHBondContact O-CD2 3.38Å; I1932-F1936 PolarHBondContact O-N 2.93Å |
| 1933 | N | 71.3 | Confident | 72.7 | Confident | 108 Ų | 108 | 72.7 Ų | 72.7 | 58% | 0.578 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58.4 | -43.7 | -179.3 | -79.5 | -18.3 | 0 | 0 | 0 | 112.1 | A1929 S1937 | A1929-N1933 WeakPolarHBondContact O-CB 3.46Å; A1929-N1933 PolarHBondContact O-N 3.24Å; A1929-N1933 PolarHBondContact O-ND2 3.36Å; N1933-S1937 WeakPolarHBondContact O-CB 3.48Å; N1933-S1937 PolarHBondContact O-N 2.92Å; N1933-S1937 PolarHBondContact O-OG 3.28Å |
| 1934 | R | 69.9 | Low | 72.3 | Confident | 153 Ų | 153 | 73.9 Ų | 73.9 | 58% | 0.577 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | 177.9 | -173.2 | 173.8 | -178.6 | 157.5 | 0.1 | 111.9 | T1930 A1931 I1932 Q1938 | T1930-R1934 VanDerWaalsContact O-CB 3.31Å; T1930-R1934 WeakPolarHBondContact O-CB 3.27Å; T1930-R1934 PolarHBondContact O-N 3.45Å; A1931-R1934 PolarHBondContact O-N 3.01Å; I1932-R1934 VanDerWaalsContact C-N 3.32Å; I1932-R1934 PolarHBondContact O-N 3.16Å; R1934-Q1938 WeakPolarHBondContact O-CB 3.39Å; R1934-Q1938 PolarHBondContact O-N 2.74Å |
| 1935 | H | 78.7 | Confident | 71.8 | Confident | 47 Ų | 47 | 77.8 Ų | 77.8 | 22% | 0.218 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.2 | -57.1 | 177.5 | -178.7 | 100.2 | 0 | 0 | 0 | 111 | V1914 F1916 A1931 I1932 S1937 Q1938 M1939 | V1914-H1935 PolarHBondContact O-NE2 3.36Å; F1916-H1935 HydrophobicContact CD2-CB 3.67Å; F1916-H1935 AromaticContact CD2-CG 3.68Å; F1916-H1935 AromaticContact CD2-ND1 3.83Å; F1916-H1935 HydrophobicContact CE2-CB 4.24Å; A1931-H1935 WeakPolarHBondContact O-CB 3.45Å; A1931-H1935 PolarHBondContact O-N 2.83Å; I1932-H1935 PolarHBondContact O-N 3.28Å; H1935-S1937 PolarHBondContact O-N 3.04Å; H1935-Q1938 PolarHBondContact O-N 3.41Å; H1935-M1939 VanDerWaalsContact O-CG 3.3Å; H1935-M1939 WeakPolarHBondContact O-CG 3.23Å; H1935-M1939 PolarHBondContact O-N 3.32Å |
| 1936 | F | 78.5 | Confident | 71.4 | Confident | 39 Ų | 39 | 77.7 Ų | 77.7 | 17% | 0.171 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.8 | -37.8 | -177.9 | -72.1 | -74.9 | 0 | 0 | 0 | 112.5 | V1873 I1875 I1913 F1916 I1932 Q1938 M1939 L1940 | V1873-F1936 HydrophobicContact CB-CE2 4.4Å; V1873-F1936 HydrophobicContact CB-CZ 4.19Å; V1873-F1936 HydrophobicContact CG1-CE2 4.13Å; V1873-F1936 HydrophobicContact CG1-CZ 3.79Å; I1875-F1936 HydrophobicContact CD1-CE1 4.49Å; I1913-F1936 HydrophobicContact CG2-CD1 3.71Å; I1913-F1936 HydrophobicContact CG2-CE1 3.56Å; F1916-F1936 HydrophobicContact CB-CE2 4.14Å; F1916-F1936 HydrophobicContact CB-CZ 4.25Å; I1932-F1936 HydrophobicContact CG2-CD2 3.77Å; I1932-F1936 HydrophobicContact CG2-CE2 3.83Å; I1932-F1936 VanDerWaalsContact O-CD2 3.27Å; I1932-F1936 WeakPolarHBondContact O-CD2 3.38Å; I1932-F1936 PolarHBondContact O-N 2.93Å; F1936-Q1938 PolarHBondContact O-N 3.28Å; F1936-M1939 PolarHBondContact O-N 2.99Å; F1936-L1940 WeakPolarHBondContact O-CG 3.5Å; F1936-L1940 PolarHBondContact O-N 2.96Å |
| 1937 | S | 70.2 | Confident | 71.2 | Confident | 73 Ų | 73 | 71.8 Ų | 71.8 | 51% | 0.51 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 175 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | N1933 H1935 R1941 | N1933-S1937 WeakPolarHBondContact O-CB 3.48Å; N1933-S1937 PolarHBondContact O-N 2.92Å; N1933-S1937 PolarHBondContact O-OG 3.28Å; H1935-S1937 PolarHBondContact O-N 3.04Å; S1937-R1941 VanDerWaalsContact O-CB 3.31Å; S1937-R1941 WeakPolarHBondContact O-CB 3.38Å; S1937-R1941 PolarHBondContact O-N 2.94Å |
| 1938 | Q | 71.5 | Confident | 70.4 | Confident | 101 Ų | 101 | 72 Ų | 72 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 177.7 | -174.2 | 170.4 | -2.9 | 0 | 0 | 111.2 | R1934 H1935 F1936 R1941 N1942 | R1934-Q1938 WeakPolarHBondContact O-CB 3.39Å; R1934-Q1938 PolarHBondContact O-N 2.74Å; H1935-Q1938 PolarHBondContact O-N 3.41Å; F1936-Q1938 PolarHBondContact O-N 3.28Å; Q1938-R1941 PolarHBondContact O-N 3.1Å; Q1938-N1942 VanDerWaalsContact O-CB 3.31Å; Q1938-N1942 WeakPolarHBondContact O-CB 3.43Å; Q1938-N1942 PolarHBondContact O-N 3.47Å; Q1938-N1942 PolarHBondContact O-ND2 3.3Å; Q1938-N1942 PolarHBondContact O-OD1 2.93Å |
| 1939 | M | 74.3 | Confident | 69.2 | Low | 33 Ų | 33 | 73.8 Ų | 73.8 | 16% | 0.163 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 175.6 | -68.5 | -51.7 | -128.9 | 0 | 0 | 112.8 | V1914 H1935 F1936 R1941 N1942 Q1943 | V1914-M1939 HydrophobicContact CB-CE 3.24Å; V1914-M1939 HydrophobicContact CG1-CE 4.43Å; V1914-M1939 HydrophobicContact CG2-CE 3.32Å; H1935-M1939 VanDerWaalsContact O-CG 3.3Å; H1935-M1939 WeakPolarHBondContact O-CG 3.23Å; H1935-M1939 PolarHBondContact O-N 3.32Å; F1936-M1939 PolarHBondContact O-N 2.99Å; M1939-R1941 VanDerWaalsContact C-N 3.33Å; M1939-R1941 PolarHBondContact O-N 3.17Å; M1939-N1942 PolarHBondContact O-N 2.93Å; M1939-Q1943 PolarHBondContact O-N 2.86Å; M1939-Q1943 VanDerWaalsContact O-N 3.13Å |
| 1940 | L | 71.8 | Confident | 68.5 | Low | 69 Ų | 69 | 72.5 Ų | 72.5 | 36% | 0.361 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 173.9 | -70.8 | 171.2 | 0 | 0 | 0 | 111.3 | V1911 F1936 Q1943 A1944 | V1911-L1940 HydrophobicContact CG1-CD2 4.03Å; F1936-L1940 WeakPolarHBondContact O-CG 3.5Å; F1936-L1940 PolarHBondContact O-N 2.96Å; L1940-Q1943 CarbonylContact O-C 3.58Å; L1940-Q1943 PolarHBondContact O-N 2.98Å; L1940-A1944 PolarHBondContact O-N 3.28Å |
| 1941 | R | 64.8 | Low | 67.7 | Low | 207 Ų | 207 | 69 Ų | 69 | 78% | 0.781 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.7 | -41 | 177.8 | -168.4 | 175.3 | -176.9 | 167.7 | 0.9 | 112.6 | S1937 Q1938 M1939 Q1943 A1944 | S1937-R1941 VanDerWaalsContact O-CB 3.31Å; S1937-R1941 WeakPolarHBondContact O-CB 3.38Å; S1937-R1941 PolarHBondContact O-N 2.94Å; Q1938-R1941 PolarHBondContact O-N 3.1Å; M1939-R1941 VanDerWaalsContact C-N 3.33Å; M1939-R1941 PolarHBondContact O-N 3.17Å; R1941-Q1943 PolarHBondContact O-N 3.39Å; R1941-A1944 WeakPolarHBondContact O-CB 3.08Å; R1941-A1944 PolarHBondContact O-N 3.4Å |
| 1942 | N | 71.4 | Confident | 66.3 | Low | 108 Ų | 108 | 73.3 Ų | 73.3 | 58% | 0.578 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.8 | -27.4 | 178 | -71.7 | -7 | 0 | 0 | 0 | 112.3 | Q1938 M1939 | Q1938-N1942 VanDerWaalsContact O-CB 3.31Å; Q1938-N1942 WeakPolarHBondContact O-CB 3.43Å; Q1938-N1942 PolarHBondContact O-N 3.47Å; Q1938-N1942 PolarHBondContact O-ND2 3.3Å; Q1938-N1942 PolarHBondContact O-OD1 2.93Å; M1939-N1942 PolarHBondContact O-N 2.93Å |
| 1943 | Q | 70.8 | Confident | 64.8 | Low | 30 Ų | 30 | 76.7 Ų | 76.7 | 14% | 0.14 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 10.4 | 176 | -62.8 | -165.8 | 17 | 0 | 0 | 113.7 | D1912 M1939 L1940 R1941 M1945 K1946 I1947 | D1912-Q1943 PolarHBondContact O-NE2 2.87Å; M1939-Q1943 PolarHBondContact O-N 2.86Å; M1939-Q1943 VanDerWaalsContact O-N 3.13Å; L1940-Q1943 CarbonylContact O-C 3.58Å; L1940-Q1943 PolarHBondContact O-N 2.98Å; R1941-Q1943 PolarHBondContact O-N 3.39Å; Q1943-M1945 PolarHBondContact O-N 2.83Å; Q1943-K1946 HydrophobicContact CG-CD 4.5Å; Q1943-K1946 WeakPolarHBondContact O-CB 3.45Å; Q1943-K1946 PolarHBondContact O-N 2.9Å; Q1943-I1947 PolarHBondContact O-N 2.8Å; Q1943-I1947 VanDerWaalsContact O-N 3.1Å |
| 1944 | A | 65.1 | Low | 63.3 | Low | 37 Ų | 37 | 73.3 Ų | 73.3 | 31% | 0.306 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -52.6 | -33.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1940 R1941 I1947 L1948 | L1940-A1944 PolarHBondContact O-N 3.28Å; R1941-A1944 WeakPolarHBondContact O-CB 3.08Å; R1941-A1944 PolarHBondContact O-N 3.4Å; A1944-I1947 PolarHBondContact O-N 3.28Å; A1944-L1948 VanDerWaalsContact O-CB 3.32Å; A1944-L1948 WeakPolarHBondContact O-CB 3.5Å; A1944-L1948 VanDerWaalsContact O-CG 3.22Å; A1944-L1948 WeakPolarHBondContact O-CG 3.44Å; A1944-L1948 PolarHBondContact O-N 2.8Å |
| 1945 | M | 60.3 | Low | 61.8 | Low | 101 Ų | 101 | 70.2 Ų | 70.2 | 50% | 0.498 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 175 | -68.9 | -54.5 | -60.6 | 0 | 0 | 113.9 | Q1943 L1948 G1949 F1961 | Q1943-M1945 PolarHBondContact O-N 2.83Å; M1945-L1948 HydrophobicContact SD-CD1 4.33Å; M1945-G1949 PolarHBondContact O-N 3.41Å; M1945-F1961 HydrophobicContact CE-CD2 3.46Å; M1945-F1961 VanDerWaalsContact CE-CD2 3.46Å; M1945-F1961 HydrophobicContact CE-CE2 3.59Å; M1945-F1961 HydrophobicContact CE-CG 4.43Å; M1945-F1961 HydrophobicContact SD-CD2 4.26Å; M1945-F1961 HydrophobicContact SD-CE2 3.83Å |
| 1946 | K | 62.9 | Low | 60 | Low | 100 Ų | 100 | 72.6 Ų | 72.6 | 44% | 0.435 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 174.1 | -70.8 | -177.1 | 176.3 | 177.6 | 0 | 110.6 | D1912 Q1943 G1949 S1950 | D1912-K1946 IonicContact OD2-NZ 3.55Å; D1912-K1946 PolarHBondContact OD2-NZ 2.85Å; Q1943-K1946 HydrophobicContact CG-CD 4.5Å; Q1943-K1946 WeakPolarHBondContact O-CB 3.45Å; Q1943-K1946 PolarHBondContact O-N 2.9Å; K1946-G1949 PolarHBondContact O-N 2.88Å; K1946-S1950 PolarHBondContact O-N 3.3Å |
| 1947 | I | 65.9 | Low | 58.2 | Low | 22 Ų | 22 | 73.8 Ų | 73.8 | 11% | 0.113 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 177.5 | -61.1 | 168.6 | 0 | 0 | 0 | 110.5 | F1906 A1909 V1911 Q1943 A1944 G1949 S1950 | F1906-I1947 HydrophobicContact CD1-CG2 3.73Å; F1906-I1947 HydrophobicContact CD2-CG2 3.85Å; F1906-I1947 HydrophobicContact CE1-CG2 3.56Å; F1906-I1947 HydrophobicContact CE2-CG2 3.65Å; F1906-I1947 HydrophobicContact CG-CG2 3.89Å; F1906-I1947 HydrophobicContact CZ-CG2 3.51Å; A1909-I1947 HydrophobicContact CB-CB 4.4Å; A1909-I1947 HydrophobicContact CB-CG1 4.12Å; A1909-I1947 HydrophobicContact CB-CG2 4.33Å; V1911-I1947 HydrophobicContact CG2-CD1 4.09Å; V1911-I1947 HydrophobicContact CG2-CG1 3.97Å; Q1943-I1947 PolarHBondContact O-N 2.8Å; Q1943-I1947 VanDerWaalsContact O-N 3.1Å; A1944-I1947 PolarHBondContact O-N 3.28Å; I1947-G1949 VanDerWaalsContact C-N 3.27Å; I1947-G1949 PolarHBondContact O-N 3.49Å; I1947-S1950 PolarHBondContact O-N 3.15Å; I1947-S1950 PolarHBondContact O-OG 3.44Å |
| 1948 | L | 58.3 | Low | 56.9 | Low | 58 Ų | 58 | 75.4 Ų | 75.4 | 30% | 0.304 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.1 | -34.1 | 176 | -74.9 | 168.6 | 0 | 0 | 0 | 112.2 | I1904 A1944 M1945 S1950 V1951 | I1904-L1948 HydrophobicContact CD1-CD2 4.3Å; A1944-L1948 VanDerWaalsContact O-CB 3.32Å; A1944-L1948 WeakPolarHBondContact O-CB 3.5Å; A1944-L1948 VanDerWaalsContact O-CG 3.22Å; A1944-L1948 WeakPolarHBondContact O-CG 3.44Å; A1944-L1948 PolarHBondContact O-N 2.8Å; M1945-L1948 HydrophobicContact SD-CD1 4.33Å; L1948-S1950 PolarHBondContact O-N 2.8Å; L1948-V1951 HydrophobicContact CD2-CG2 4.39Å; L1948-V1951 WeakPolarHBondContact O-CB 3.27Å; L1948-V1951 WeakPolarHBondContact O-CG2 3.05Å; L1948-V1951 PolarHBondContact O-N 2.98Å; L1948-V1951 VanDerWaalsContact O-N 3.15Å |
| 1949 | G | 51.7 | Low | 55.5 | Low | 50 Ų | 50 | 71.9 Ų | 71.9 | 52% | 0.515 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.4 | -23.2 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | M1945 K1946 I1947 V1951 | M1945-G1949 PolarHBondContact O-N 3.41Å; K1946-G1949 PolarHBondContact O-N 2.88Å; I1947-G1949 VanDerWaalsContact C-N 3.27Å; I1947-G1949 PolarHBondContact O-N 3.49Å; G1949-V1951 VanDerWaalsContact C-N 3.31Å |
| 1950 | S | 59 | Low | 54.1 | Low | 23 Ų | 23 | 72.3 Ų | 72.3 | 16% | 0.161 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 7.8 | 172.3 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | A1909 K1946 I1947 L1948 | A1909-S1950 WeakPolarHBondContact CB-OG 3.48Å; K1946-S1950 PolarHBondContact O-N 3.3Å; I1947-S1950 PolarHBondContact O-N 3.15Å; I1947-S1950 PolarHBondContact O-OG 3.44Å; L1948-S1950 PolarHBondContact O-N 2.8Å |
| 1951 | V | 51.9 | Low | 52.9 | Low | 19 Ų | 19 | 74.1 Ų | 74.1 | 12% | 0.115 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -87.5 | 127.2 | 173.2 | -170.9 | 0 | 0 | 0 | 0 | 108.7 | I1904 C1905 F1906 L1948 G1949 F1953 | I1904-V1951 HydrophobicContact CG2-CG2 4.31Å; C1905-V1951 WeakPolarHBondContact O-CG1 3.5Å; F1906-V1951 HydrophobicContact CB-CB 4.49Å; F1906-V1951 HydrophobicContact CB-CG2 3.81Å; L1948-V1951 HydrophobicContact CD2-CG2 4.39Å; L1948-V1951 WeakPolarHBondContact O-CB 3.27Å; L1948-V1951 WeakPolarHBondContact O-CG2 3.05Å; L1948-V1951 PolarHBondContact O-N 2.98Å; L1948-V1951 VanDerWaalsContact O-N 3.15Å; G1949-V1951 VanDerWaalsContact C-N 3.31Å; V1951-F1953 HydrophobicContact CB-CD1 3.7Å; V1951-F1953 HydrophobicContact CB-CE1 4.15Å; V1951-F1953 HydrophobicContact CG1-CB 4.33Å; V1951-F1953 HydrophobicContact CG1-CD1 3.41Å; V1951-F1953 VanDerWaalsContact CG1-CD1 3.41Å; V1951-F1953 HydrophobicContact CG1-CE1 4.15Å; V1951-F1953 HydrophobicContact CG1-CG 4.32Å; V1951-F1953 PolarHBondContact O-N 2.8Å |
| 1952 | D | 45.8 | Very low | 52.1 | Low | 119 Ų | 119 | 74.2 Ų | 74.2 | 64% | 0.636 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 4.4 | -178.1 | -67 | -32.7 | 0 | 0 | 0 | 115.9 | ||
| 1953 | F | 46 | Very low | 51 | Low | 114 Ų | 114 | 73.7 Ų | 73.7 | 50% | 0.5 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -25.9 | -175.7 | 94.4 | -83.3 | 0 | 0 | 0 | 115 | V1951 | V1951-F1953 HydrophobicContact CB-CD1 3.7Å; V1951-F1953 HydrophobicContact CB-CE1 4.15Å; V1951-F1953 HydrophobicContact CG1-CB 4.33Å; V1951-F1953 HydrophobicContact CG1-CD1 3.41Å; V1951-F1953 VanDerWaalsContact CG1-CD1 3.41Å; V1951-F1953 HydrophobicContact CG1-CE1 4.15Å; V1951-F1953 HydrophobicContact CG1-CG 4.32Å; V1951-F1953 PolarHBondContact O-N 2.8Å |
| 1954 | L | 41.2 | Very low | 49.7 | Very low | 37 Ų | 37 | 74.9 Ų | 74.9 | 19% | 0.194 | 42% | 0.417 | C | S | . | . | trans | -99.3 | 97.1 | -169 | -83.8 | 161.2 | 0 | 0 | 0 | 112.4 | N1956 L1960 | L1954-N1956 PolarHBondContact O-N 2.67Å; L1954-L1960 HydrophobicContact CD2-CB 4.08Å; L1954-L1960 HydrophobicContact CD2-CD1 4.08Å; L1954-L1960 HydrophobicContact CD2-CD2 3.72Å; L1954-L1960 HydrophobicContact CD2-CG 4.17Å | ||
| 1955 | G | 38.3 | Very low | 49.1 | Very low | 88 Ų | 88 | 75.9 Ų | 75.9 | 91% | 0.907 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -64.4 | -14.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1956 | N | 41 | Very low | 48.7 | Very low | 97 Ų | 97 | 72.5 Ų | 72.5 | 52% | 0.519 | 41% | 0.413 | S | S | . | . | trans | -161.5 | 100.8 | 170.3 | -175.5 | -2.6 | 0 | 0 | 0 | 112.1 | L1954 V1958 G1959 L1960 | L1954-N1956 PolarHBondContact O-N 2.67Å; N1956-V1958 PolarHBondContact O-N 3.39Å; N1956-V1958 PolarHBondContact OD1-N 2.85Å; N1956-G1959 PolarHBondContact OD1-N 3.45Å; N1956-L1960 PolarHBondContact O-N 3.27Å | ||
| 1957 | P | 40.8 | Very low | 48.1 | Very low | 64 Ų | 64 | 67.9 Ų | 67.9 | 42% | 0.416 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.1 | -30.7 | -175.8 | 27 | -33.5 | 0 | 0 | 0 | 113.3 | F1961 | P1957-F1961 WeakPolarHBondContact O-CB 3.34Å; P1957-F1961 PolarHBondContact O-N 3.41Å |
| 1958 | V | 42.2 | Very low | 47.5 | Very low | 107 Ų | 107 | 70.7 Ų | 70.7 | 65% | 0.648 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -73.4 | -37.6 | -176.9 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | N1956 R1962 | N1956-V1958 PolarHBondContact O-N 3.39Å; N1956-V1958 PolarHBondContact OD1-N 2.85Å; V1958-R1962 WeakPolarHBondContact O-CB 3.48Å; V1958-R1962 PolarHBondContact O-N 3.49Å |
| 1959 | G | 41.9 | Very low | 47.1 | Very low | 26 Ų | 26 | 73 Ų | 73 | 27% | 0.268 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.7 | -50.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | N1956 F1961 R1962 E1963 | N1956-G1959 PolarHBondContact OD1-N 3.45Å; G1959-F1961 VanDerWaalsContact C-N 3.34Å; G1959-F1961 PolarHBondContact O-N 2.93Å; G1959-R1962 PolarHBondContact O-N 3.4Å; G1959-E1963 PolarHBondContact O-N 3.42Å |
| 1960 | L | 44 | Very low | 47.1 | Very low | 42 Ų | 42 | 74.1 Ų | 74.1 | 22% | 0.22 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.6 | -41 | 177.8 | -167.5 | 107.1 | 0 | 0 | 0 | 111.7 | L1954 N1956 E1963 L1964 | L1954-L1960 HydrophobicContact CD2-CB 4.08Å; L1954-L1960 HydrophobicContact CD2-CD1 4.08Å; L1954-L1960 HydrophobicContact CD2-CD2 3.72Å; L1954-L1960 HydrophobicContact CD2-CG 4.17Å; N1956-L1960 PolarHBondContact O-N 3.27Å; L1960-E1963 PolarHBondContact O-N 2.83Å; L1960-L1964 HydrophobicContact CD2-CD1 3.4Å; L1960-L1964 HydrophobicContact CG-CD1 3.86Å; L1960-L1964 VanDerWaalsContact O-CB 3.28Å; L1960-L1964 WeakPolarHBondContact O-CB 3.43Å; L1960-L1964 PolarHBondContact O-N 2.81Å |
| 1961 | F | 46.7 | Very low | 46.5 | Very low | 108 Ų | 108 | 75.8 Ų | 75.8 | 47% | 0.474 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70 | -33.2 | 179 | -157.9 | -88.4 | 0 | 0 | 0 | 112.5 | M1945 P1957 G1959 E1963 S1965 | M1945-F1961 HydrophobicContact CE-CD2 3.46Å; M1945-F1961 VanDerWaalsContact CE-CD2 3.46Å; M1945-F1961 HydrophobicContact CE-CE2 3.59Å; M1945-F1961 HydrophobicContact CE-CG 4.43Å; M1945-F1961 HydrophobicContact SD-CD2 4.26Å; M1945-F1961 HydrophobicContact SD-CE2 3.83Å; P1957-F1961 WeakPolarHBondContact O-CB 3.34Å; P1957-F1961 PolarHBondContact O-N 3.41Å; G1959-F1961 VanDerWaalsContact C-N 3.34Å; G1959-F1961 PolarHBondContact O-N 2.93Å; F1961-E1963 VanDerWaalsContact C-N 3.32Å; F1961-S1965 WeakPolarHBondContact O-CA 3.5Å; F1961-S1965 WeakPolarHBondContact O-CB 3.39Å; F1961-S1965 PolarHBondContact O-N 2.82Å |
| 1962 | R | 48.7 | Very low | 46.4 | Very low | 209 Ų | 209 | 80.2 Ų | 80.2 | 79% | 0.789 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.3 | -38.3 | 176.4 | -147.1 | 178.5 | -156.4 | 175.8 | 5.1 | 111.2 | V1958 G1959 G1966 | V1958-R1962 WeakPolarHBondContact O-CB 3.48Å; V1958-R1962 PolarHBondContact O-N 3.49Å; G1959-R1962 PolarHBondContact O-N 3.4Å; R1962-G1966 PolarHBondContact O-N 3.07Å |
| 1963 | E | 49.1 | Very low | 46.4 | Very low | 97 Ų | 97 | 79.3 Ų | 79.3 | 45% | 0.453 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -77.1 | -40.6 | 177.7 | -68.9 | 173.1 | -175.9 | 0 | 0 | 112.4 | G1959 L1960 F1961 G1966 G1967 G1987 | G1959-E1963 PolarHBondContact O-N 3.42Å; L1960-E1963 PolarHBondContact O-N 2.83Å; F1961-E1963 VanDerWaalsContact C-N 3.32Å; E1963-G1966 PolarHBondContact O-N 2.82Å; E1963-G1967 PolarHBondContact O-N 2.84Å; E1963-G1987 WeakPolarHBondContact OE2-CA 3.25Å |
| 1964 | L | 43.5 | Very low | 46.5 | Very low | 54 Ų | 54 | 80.3 Ų | 80.3 | 28% | 0.283 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 170.6 | -90.5 | 162.4 | 0 | 0 | 0 | 112 | L1960 G1966 G1967 I1968 L1984 | L1960-L1964 HydrophobicContact CD2-CD1 3.4Å; L1960-L1964 HydrophobicContact CG-CD1 3.86Å; L1960-L1964 VanDerWaalsContact O-CB 3.28Å; L1960-L1964 WeakPolarHBondContact O-CB 3.43Å; L1960-L1964 PolarHBondContact O-N 2.81Å; L1964-G1966 VanDerWaalsContact C-N 3.29Å; L1964-G1967 PolarHBondContact O-N 2.86Å; L1964-I1968 HydrophobicContact CD2-CD1 4.36Å; L1964-I1968 WeakPolarHBondContact O-CB 3.34Å; L1964-I1968 WeakPolarHBondContact O-CG1 3.29Å; L1964-I1968 PolarHBondContact O-N 3.26Å; L1964-L1984 HydrophobicContact CD2-CD2 4.01Å |
| 1965 | S | 52.7 | Low | 46.5 | Very low | 58 Ų | 58 | 81.2 Ų | 81.2 | 41% | 0.406 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 174.4 | 174.6 | 0 | 0 | 0 | 0 | 109.9 | F1961 H1969 | F1961-S1965 WeakPolarHBondContact O-CA 3.5Å; F1961-S1965 WeakPolarHBondContact O-CB 3.39Å; F1961-S1965 PolarHBondContact O-N 2.82Å; S1965-H1969 WeakPolarHBondContact O-CB 3.4Å; S1965-H1969 PolarHBondContact O-N 2.89Å |
| 1966 | G | 50.8 | Low | 46.7 | Very low | 30 Ų | 30 | 80 Ų | 80 | 31% | 0.309 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.9 | -53.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1962 E1963 L1964 I1968 H1969 E1970 | R1962-G1966 PolarHBondContact O-N 3.07Å; E1963-G1966 PolarHBondContact O-N 2.82Å; L1964-G1966 VanDerWaalsContact C-N 3.29Å; G1966-I1968 PolarHBondContact O-N 3.02Å; G1966-H1969 PolarHBondContact O-N 3.21Å; G1966-E1970 WeakPolarHBondContact O-CG 3.33Å; G1966-E1970 PolarHBondContact O-N 2.9Å |
| 1967 | G | 50.7 | Low | 46.6 | Very low | 4 Ų | 4 | 80.7 Ų | 80.7 | 4% | 0.041 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1963 L1964 E1970 L1971 F1980 | E1963-G1967 PolarHBondContact O-N 2.84Å; L1964-G1967 PolarHBondContact O-N 2.86Å; G1967-E1970 PolarHBondContact O-N 2.99Å; G1967-L1971 WeakPolarHBondContact O-CB 3.47Å; G1967-L1971 PolarHBondContact O-N 3.34Å; G1967-F1980 WeakPolarHBondContact O-CD2 2.86Å |
| 1968 | I | 52.8 | Low | 46.7 | Very low | 80 Ų | 80 | 80.7 Ų | 80.7 | 41% | 0.41 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -71.9 | -36.6 | 174.9 | -67.8 | 168.3 | 0 | 0 | 0 | 110.3 | L1964 G1966 L1971 V1972 F1980 | L1964-I1968 HydrophobicContact CD2-CD1 4.36Å; L1964-I1968 WeakPolarHBondContact O-CB 3.34Å; L1964-I1968 WeakPolarHBondContact O-CG1 3.29Å; L1964-I1968 PolarHBondContact O-N 3.26Å; G1966-I1968 PolarHBondContact O-N 3.02Å; I1968-L1971 PolarHBondContact O-N 2.88Å; I1968-V1972 HydrophobicContact CG2-CG2 3.82Å; I1968-V1972 VanDerWaalsContact O-CB 3.27Å; I1968-V1972 WeakPolarHBondContact O-CB 3.48Å; I1968-V1972 VanDerWaalsContact O-CG2 3.27Å; I1968-V1972 WeakPolarHBondContact O-CG2 3.23Å; I1968-V1972 PolarHBondContact O-N 2.74Å; I1968-F1980 HydrophobicContact CG1-CD2 4.5Å; I1968-F1980 HydrophobicContact CG1-CE2 4.08Å |
| 1969 | H | 51.1 | Low | 46.9 | Very low | 107 Ų | 107 | 76 Ų | 76 | 50% | 0.495 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 173 | -173.2 | -54.1 | 0 | 0 | 0 | 110.5 | S1965 G1966 L1971 V1973 | S1965-H1969 WeakPolarHBondContact O-CB 3.4Å; S1965-H1969 PolarHBondContact O-N 2.89Å; G1966-H1969 PolarHBondContact O-N 3.21Å; H1969-L1971 VanDerWaalsContact C-N 3.34Å; H1969-L1971 PolarHBondContact O-N 3.09Å; H1969-V1973 WeakPolarHBondContact O-CA 3.37Å; H1969-V1973 WeakPolarHBondContact O-CB 3.27Å; H1969-V1973 WeakPolarHBondContact O-CG2 3.12Å; H1969-V1973 PolarHBondContact O-N 2.7Å |
| 1970 | E | 50 | Low | 47.3 | Very low | 73 Ų | 73 | 77 Ų | 77 | 34% | 0.341 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.3 | -34.7 | 173 | -73.8 | 177.3 | -176.2 | 0 | 0 | 112.3 | G1966 G1967 E1974 G1975 N1976 G1979 | G1966-E1970 WeakPolarHBondContact O-CG 3.33Å; G1966-E1970 PolarHBondContact O-N 2.9Å; G1967-E1970 PolarHBondContact O-N 2.99Å; E1970-E1974 CarbonylContact O-C 3.6Å; E1970-E1974 VanDerWaalsContact O-C 3.32Å; E1970-E1974 WeakPolarHBondContact O-CA 3.27Å; E1970-E1974 WeakPolarHBondContact O-CB 3.47Å; E1970-E1974 PolarHBondContact O-N 3.29Å; E1970-E1974 VanDerWaalsContact O-N 3.15Å; E1970-G1975 PolarHBondContact O-N 3.05Å; E1970-N1976 PolarHBondContact O-N 2.81Å; E1970-N1976 VanDerWaalsContact O-N 3.08Å; E1970-G1979 WeakPolarHBondContact OE2-CA 3.35Å |
| 1971 | L | 48 | Very low | 47.2 | Very low | 58 Ų | 58 | 79.7 Ų | 79.7 | 30% | 0.304 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72.3 | -45.9 | 176.7 | -170.7 | 70.7 | 0 | 0 | 0 | 112.9 | G1967 I1968 H1969 G1975 L1977 F1980 | G1967-L1971 WeakPolarHBondContact O-CB 3.47Å; G1967-L1971 PolarHBondContact O-N 3.34Å; I1968-L1971 PolarHBondContact O-N 2.88Å; H1969-L1971 VanDerWaalsContact C-N 3.34Å; H1969-L1971 PolarHBondContact O-N 3.09Å; L1971-G1975 WeakPolarHBondContact O-CA 3.4Å; L1971-G1975 PolarHBondContact O-N 2.76Å; L1971-L1977 HydrophobicContact CD1-CD2 3.9Å; L1971-L1977 HydrophobicContact CD1-CG 4.02Å; L1971-F1980 HydrophobicContact CB-CB 4.07Å; L1971-F1980 HydrophobicContact CB-CD2 4.15Å; L1971-F1980 HydrophobicContact CB-CG 4.21Å; L1971-F1980 HydrophobicContact CD1-CB 4.01Å; L1971-F1980 HydrophobicContact CD1-CD1 4.33Å; L1971-F1980 HydrophobicContact CD1-CG 4.14Å; L1971-F1980 HydrophobicContact CD2-CD1 4.32Å; L1971-F1980 HydrophobicContact CD2-CD2 4.05Å; L1971-F1980 HydrophobicContact CD2-CE1 4.43Å; L1971-F1980 HydrophobicContact CD2-CE2 4.17Å; L1971-F1980 HydrophobicContact CD2-CG 4.12Å; L1971-F1980 HydrophobicContact CD2-CZ 4.35Å; L1971-F1980 HydrophobicContact CG-CB 4.49Å; L1971-F1980 HydrophobicContact CG-CG 4.39Å |
| 1972 | V | 49.8 | Very low | 47.2 | Very low | 113 Ų | 113 | 81.8 Ų | 81.8 | 69% | 0.685 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -84.5 | -35.8 | -171.3 | 175 | 0 | 0 | 0 | 0 | 111.4 | I1968 | I1968-V1972 HydrophobicContact CG2-CG2 3.82Å; I1968-V1972 VanDerWaalsContact O-CB 3.27Å; I1968-V1972 WeakPolarHBondContact O-CB 3.48Å; I1968-V1972 VanDerWaalsContact O-CG2 3.27Å; I1968-V1972 WeakPolarHBondContact O-CG2 3.23Å; I1968-V1972 PolarHBondContact O-N 2.74Å |
| 1973 | V | 45 | Very low | 47 | Very low | 99 Ų | 99 | 72.8 Ų | 72.8 | 60% | 0.6 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -44.4 | -178.5 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | H1969 | H1969-V1973 WeakPolarHBondContact O-CA 3.37Å; H1969-V1973 WeakPolarHBondContact O-CB 3.27Å; H1969-V1973 WeakPolarHBondContact O-CG2 3.12Å; H1969-V1973 PolarHBondContact O-N 2.7Å |
| 1974 | E | 47.8 | Very low | 46.5 | Very low | 136 Ų | 136 | 70.9 Ų | 70.9 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -101.6 | -5.2 | -174.9 | -62.2 | -173.2 | 173.9 | 0 | 0 | 114.1 | E1970 N1976 | E1970-E1974 CarbonylContact O-C 3.6Å; E1970-E1974 VanDerWaalsContact O-C 3.32Å; E1970-E1974 WeakPolarHBondContact O-CA 3.27Å; E1970-E1974 WeakPolarHBondContact O-CB 3.47Å; E1970-E1974 PolarHBondContact O-N 3.29Å; E1970-E1974 VanDerWaalsContact O-N 3.15Å; E1974-N1976 PolarHBondContact O-N 3.08Å; E1974-N1976 VanDerWaalsContact O-N 3.13Å |
| 1975 | G | 41.5 | Very low | 46.4 | Very low | 55 Ų | 55 | 77 Ų | 77 | 57% | 0.567 | 42% | 0.417 | S | S | * | . | trans | 65 | 12.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1970 L1971 L1977 | E1970-G1975 PolarHBondContact O-N 3.05Å; L1971-G1975 WeakPolarHBondContact O-CA 3.4Å; L1971-G1975 PolarHBondContact O-N 2.76Å; G1975-L1977 PolarHBondContact O-N 3.35Å | ||
| 1976 | N | 43.5 | Very low | 45.8 | Very low | 62 Ų | 62 | 80.5 Ų | 80.5 | 33% | 0.332 | 43% | 0.426 | S | S | . | . | trans | -89 | 88.8 | -170.8 | -170.4 | -2.4 | 0 | 0 | 0 | 111.4 | E1970 E1974 S1978 G1979 F1980 | E1970-N1976 PolarHBondContact O-N 2.81Å; E1970-N1976 VanDerWaalsContact O-N 3.08Å; E1974-N1976 PolarHBondContact O-N 3.08Å; E1974-N1976 VanDerWaalsContact O-N 3.13Å; N1976-S1978 PolarHBondContact O-N 3.09Å; N1976-S1978 WeakPolarHBondContact OD1-CB 3.41Å; N1976-S1978 PolarHBondContact OD1-N 3.39Å; N1976-S1978 VanDerWaalsContact OD1-N 3.08Å; N1976-S1978 PolarHBondContact OD1-OG 2.66Å; N1976-G1979 PolarHBondContact O-N 3.1Å; N1976-G1979 PolarHBondContact OD1-N 3.48Å; N1976-F1980 PolarHBondContact O-N 2.9Å; N1976-F1980 VanDerWaalsContact O-N 3.12Å | ||
| 1977 | L | 37.8 | Very low | 45.3 | Very low | 112 Ų | 112 | 79.8 Ų | 79.8 | 59% | 0.586 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -53.8 | -32 | 172.9 | -89.1 | 158.4 | 0 | 0 | 0 | 113 | L1971 G1975 I1981 | L1971-L1977 HydrophobicContact CD1-CD2 3.9Å; L1971-L1977 HydrophobicContact CD1-CG 4.02Å; G1975-L1977 PolarHBondContact O-N 3.35Å; L1977-I1981 VanDerWaalsContact O-CG1 3.25Å; L1977-I1981 WeakPolarHBondContact O-CG1 3.43Å; L1977-I1981 PolarHBondContact O-N 2.95Å |
| 1978 | S | 43.4 | Very low | 44.6 | Very low | 64 Ų | 64 | 83.3 Ų | 83.3 | 45% | 0.448 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70.2 | -42.1 | 179.4 | 74.5 | 0 | 0 | 0 | 0 | 111.6 | N1976 I1981 Y1982 | N1976-S1978 PolarHBondContact O-N 3.09Å; N1976-S1978 WeakPolarHBondContact OD1-CB 3.41Å; N1976-S1978 PolarHBondContact OD1-N 3.39Å; N1976-S1978 VanDerWaalsContact OD1-N 3.08Å; N1976-S1978 PolarHBondContact OD1-OG 2.66Å; S1978-I1981 PolarHBondContact O-N 3.35Å; S1978-Y1982 WeakPolarHBondContact O-CB 3.39Å; S1978-Y1982 VanDerWaalsContact O-CD2 3.3Å; S1978-Y1982 WeakPolarHBondContact O-CD2 3.4Å; S1978-Y1982 PolarHBondContact O-N 3.22Å |
| 1979 | G | 46.1 | Very low | 43.7 | Very low | 8 Ų | 8 | 83.3 Ų | 83.3 | 8% | 0.082 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1970 N1976 I1981 Y1982 G1983 | E1970-G1979 WeakPolarHBondContact OE2-CA 3.35Å; N1976-G1979 PolarHBondContact O-N 3.1Å; N1976-G1979 PolarHBondContact OD1-N 3.48Å; G1979-I1981 PolarHBondContact O-N 2.83Å; G1979-Y1982 PolarHBondContact O-N 2.68Å; G1979-G1983 PolarHBondContact O-N 3.46Å |
| 1980 | F | 49.2 | Very low | 42.8 | Very low | 48 Ų | 48 | 85.9 Ų | 85.9 | 21% | 0.211 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 171.6 | 175.8 | -110.8 | 0 | 0 | 0 | 113.1 | G1967 I1968 L1971 N1976 L1984 | G1967-F1980 WeakPolarHBondContact O-CD2 2.86Å; I1968-F1980 HydrophobicContact CG1-CD2 4.5Å; I1968-F1980 HydrophobicContact CG1-CE2 4.08Å; L1971-F1980 HydrophobicContact CB-CB 4.07Å; L1971-F1980 HydrophobicContact CB-CD2 4.15Å; L1971-F1980 HydrophobicContact CB-CG 4.21Å; L1971-F1980 HydrophobicContact CD1-CB 4.01Å; L1971-F1980 HydrophobicContact CD1-CD1 4.33Å; L1971-F1980 HydrophobicContact CD1-CG 4.14Å; L1971-F1980 HydrophobicContact CD2-CD1 4.32Å; L1971-F1980 HydrophobicContact CD2-CD2 4.05Å; L1971-F1980 HydrophobicContact CD2-CE1 4.43Å; L1971-F1980 HydrophobicContact CD2-CE2 4.17Å; L1971-F1980 HydrophobicContact CD2-CG 4.12Å; L1971-F1980 HydrophobicContact CD2-CZ 4.35Å; L1971-F1980 HydrophobicContact CG-CB 4.49Å; L1971-F1980 HydrophobicContact CG-CG 4.39Å; N1976-F1980 PolarHBondContact O-N 2.9Å; N1976-F1980 VanDerWaalsContact O-N 3.12Å; F1980-L1984 HydrophobicContact CD1-CD1 3.94Å; F1980-L1984 HydrophobicContact CD2-CD1 4.28Å; F1980-L1984 HydrophobicContact CE1-CD1 3.4Å; F1980-L1984 HydrophobicContact CE2-CD1 3.79Å; F1980-L1984 HydrophobicContact CE2-CG 4.34Å; F1980-L1984 HydrophobicContact CG-CD1 4.36Å; F1980-L1984 HydrophobicContact CZ-CD1 3.33Å; F1980-L1984 HydrophobicContact CZ-CG 4.32Å; F1980-L1984 WeakPolarHBondContact O-CB 3.28Å; F1980-L1984 PolarHBondContact O-N 3.28Å |
| 1981 | I | 43.5 | Very low | 42 | Very low | 99 Ų | 99 | 84.6 Ų | 84.6 | 51% | 0.508 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 178.4 | -68.8 | 168.5 | 0 | 0 | 0 | 110.6 | L1977 S1978 G1979 L1984 W1985 | L1977-I1981 VanDerWaalsContact O-CG1 3.25Å; L1977-I1981 WeakPolarHBondContact O-CG1 3.43Å; L1977-I1981 PolarHBondContact O-N 2.95Å; S1978-I1981 PolarHBondContact O-N 3.35Å; G1979-I1981 PolarHBondContact O-N 2.83Å; I1981-L1984 PolarHBondContact O-N 2.88Å; I1981-W1985 WeakPolarHBondContact O-CB 3.03Å; I1981-W1985 PolarHBondContact O-N 3.09Å |
| 1982 | Y | 46.3 | Very low | 41 | Very low | 152 Ų | 152 | 84.7 Ų | 84.7 | 60% | 0.596 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.2 | -40.8 | 177.6 | -93.6 | -76.7 | 0 | 0 | 0 | 112.5 | S1978 G1979 W1985 H1986 | S1978-Y1982 WeakPolarHBondContact O-CB 3.39Å; S1978-Y1982 VanDerWaalsContact O-CD2 3.3Å; S1978-Y1982 WeakPolarHBondContact O-CD2 3.4Å; S1978-Y1982 PolarHBondContact O-N 3.22Å; G1979-Y1982 PolarHBondContact O-N 2.68Å; Y1982-W1985 PolarHBondContact O-N 3.34Å; Y1982-H1986 PolarHBondContact O-N 3.12Å |
| 1983 | G | 44.2 | Very low | 40.3 | Very low | 20 Ų | 20 | 82.6 Ų | 82.6 | 21% | 0.206 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1979 G1987 | G1979-G1983 PolarHBondContact O-N 3.46Å; G1983-G1987 PolarHBondContact O-N 3.13Å |
| 1984 | L | 38.7 | Very low | 40 | Very low | 57 Ų | 57 | 84.5 Ų | 84.5 | 30% | 0.298 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 170.4 | -89.8 | 167.3 | 0 | 0 | 0 | 112.2 | L1964 F1980 I1981 L1988 | L1964-L1984 HydrophobicContact CD2-CD2 4.01Å; F1980-L1984 HydrophobicContact CD1-CD1 3.94Å; F1980-L1984 HydrophobicContact CD2-CD1 4.28Å; F1980-L1984 HydrophobicContact CE1-CD1 3.4Å; F1980-L1984 HydrophobicContact CE2-CD1 3.79Å; F1980-L1984 HydrophobicContact CE2-CG 4.34Å; F1980-L1984 HydrophobicContact CG-CD1 4.36Å; F1980-L1984 HydrophobicContact CZ-CD1 3.33Å; F1980-L1984 HydrophobicContact CZ-CG 4.32Å; F1980-L1984 WeakPolarHBondContact O-CB 3.28Å; F1980-L1984 PolarHBondContact O-N 3.28Å; I1981-L1984 PolarHBondContact O-N 2.88Å; L1984-L1988 HydrophobicContact CD2-CD1 4.4Å; L1984-L1988 VanDerWaalsContact O-CB 3.27Å; L1984-L1988 WeakPolarHBondContact O-CB 3.36Å; L1984-L1988 WeakPolarHBondContact O-CD1 3.4Å; L1984-L1988 WeakPolarHBondContact O-CG 3.1Å; L1984-L1988 PolarHBondContact O-N 3.37Å |
| 1985 | W | 41.9 | Very low | 39.4 | Very low | 183 Ų | 183 | 84.4 Ų | 84.4 | 69% | 0.693 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.3 | -41.4 | -174 | -172.1 | -99.7 | 0 | 0 | 0 | 112.4 | I1981 Y1982 L1988 S1989 | I1981-W1985 WeakPolarHBondContact O-CB 3.03Å; I1981-W1985 PolarHBondContact O-N 3.09Å; Y1982-W1985 PolarHBondContact O-N 3.34Å; W1985-L1988 PolarHBondContact O-N 2.78Å; W1985-S1989 PolarHBondContact O-N 3.19Å |
| 1986 | H | 40.2 | Very low | 39.1 | Very low | 131 Ų | 131 | 85 Ų | 85 | 61% | 0.606 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.2 | -36.4 | 176.6 | -88.6 | -66.1 | 0 | 0 | 0 | 113.3 | Y1982 L1988 | Y1982-H1986 PolarHBondContact O-N 3.12Å; H1986-L1988 VanDerWaalsContact C-N 3.3Å; H1986-L1988 PolarHBondContact O-N 3.19Å |
| 1987 | G | 40.1 | Very low | 38.6 | Very low | 14 Ų | 14 | 85.9 Ų | 85.9 | 14% | 0.144 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -70.2 | -26 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1963 G1983 S1991 | E1963-G1987 WeakPolarHBondContact OE2-CA 3.25Å; G1983-G1987 PolarHBondContact O-N 3.13Å; G1987-S1991 PolarHBondContact O-OG 2.74Å |
| 1988 | L | 35.1 | Very low | 38.5 | Very low | 79 Ų | 79 | 83.3 Ų | 83.3 | 41% | 0.414 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -85.6 | -16.9 | -179.9 | -73.4 | 171.2 | 0 | 0 | 0 | 114.3 | L1984 W1985 H1986 N1990 S1991 A1992 | L1984-L1988 HydrophobicContact CD2-CD1 4.4Å; L1984-L1988 VanDerWaalsContact O-CB 3.27Å; L1984-L1988 WeakPolarHBondContact O-CB 3.36Å; L1984-L1988 WeakPolarHBondContact O-CD1 3.4Å; L1984-L1988 WeakPolarHBondContact O-CG 3.1Å; L1984-L1988 PolarHBondContact O-N 3.37Å; W1985-L1988 PolarHBondContact O-N 2.78Å; H1986-L1988 VanDerWaalsContact C-N 3.3Å; H1986-L1988 PolarHBondContact O-N 3.19Å; L1988-N1990 PolarHBondContact O-N 2.9Å; L1988-N1990 VanDerWaalsContact O-N 3.13Å; L1988-S1991 PolarHBondContact O-N 3.03Å; L1988-A1992 PolarHBondContact O-N 2.86Å |
| 1989 | S | 35.3 | Very low | 37.8 | Very low | 79 Ų | 79 | 84.2 Ų | 84.2 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24.5 | -173.9 | 97 | 0 | 0 | 0 | 0 | 113.4 | W1985 | W1985-S1989 PolarHBondContact O-N 3.19Š|
| 1990 | N | 31.6 | Very low | 37.2 | Very low | 161 Ų | 161 | 86.7 Ų | 86.7 | 86% | 0.861 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -0.1 | 172.9 | -86.4 | -5.9 | 0 | 0 | 0 | 114.5 | L1988 | L1988-N1990 PolarHBondContact O-N 2.9Å; L1988-N1990 VanDerWaalsContact O-N 3.13Å |
| 1991 | S | 33.4 | Very low | 36.4 | Very low | 46 Ų | 46 | 89.2 Ų | 89.2 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -3.2 | -174.5 | -51.7 | 0 | 0 | 0 | 0 | 114.1 | G1987 L1988 A1993 | G1987-S1991 PolarHBondContact O-OG 2.74Å; L1988-S1991 PolarHBondContact O-N 3.03Å; S1991-A1993 VanDerWaalsContact C-N 3.29Å; S1991-A1993 PolarHBondContact O-N 2.89Å; S1991-A1993 VanDerWaalsContact O-N 3.12Å |
| 1992 | A | 27.4 | Very low | 35.8 | Very low | 61 Ų | 61 | 85.7 Ų | 85.7 | 50% | 0.504 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.6 | -26.7 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1988 R1994 | L1988-A1992 PolarHBondContact O-N 2.86Å; A1992-R1994 VanDerWaalsContact C-N 3.29Å; A1992-R1994 PolarHBondContact O-N 2.82Å |
| 1993 | A | 34.6 | Very low | 34.9 | Very low | 69 Ų | 69 | 82.5 Ų | 82.5 | 57% | 0.57 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -72.8 | -10.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1991 T1996 | S1991-A1993 VanDerWaalsContact C-N 3.29Å; S1991-A1993 PolarHBondContact O-N 2.89Å; S1991-A1993 VanDerWaalsContact O-N 3.12Å; A1993-T1996 PolarHBondContact O-OG1 2.79Å |
| 1994 | R | 39.3 | Very low | 34.1 | Very low | 139 Ų | 139 | 83.5 Ų | 83.5 | 53% | 0.525 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -125.2 | -9.2 | 177.9 | -70.3 | -174 | 179.8 | 166.3 | 0.5 | 115.5 | A1992 T1996 S1997 | A1992-R1994 VanDerWaalsContact C-N 3.29Å; A1992-R1994 PolarHBondContact O-N 2.82Å; R1994-T1996 PolarHBondContact O-N 2.86Å; R1994-S1997 PolarHBondContact O-N 2.86Å |
| 1995 | F | 34 | Very low | 33.8 | Very low | 133 Ų | 133 | 86.8 Ų | 86.8 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.9 | -26 | 161.3 | -166.2 | -99.7 | 0 | 0 | 0 | 111 | S1997 A1998 L1999 | F1995-S1997 PolarHBondContact O-N 2.96Å; F1995-A1998 WeakPolarHBondContact O-CB 3.4Å; F1995-A1998 PolarHBondContact O-N 2.67Å; F1995-L1999 HydrophobicContact CD1-CD1 3.72Å; F1995-L1999 HydrophobicContact CD1-CG 4.08Å; F1995-L1999 HydrophobicContact CE1-CD1 3.62Å; F1995-L1999 HydrophobicContact CE1-CG 3.84Å; F1995-L1999 PolarHBondContact O-N 3.32Å |
| 1996 | T | 34.9 | Very low | 33.2 | Very low | 67 Ų | 67 | 85.2 Ų | 85.2 | 41% | 0.411 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74 | -18.4 | 179.3 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | A1993 R1994 A1998 L1999 A2000 | A1993-T1996 PolarHBondContact O-OG1 2.79Å; R1994-T1996 PolarHBondContact O-N 2.86Å; T1996-A1998 VanDerWaalsContact C-N 3.34Å; T1996-L1999 PolarHBondContact O-N 2.84Å; T1996-A2000 VanDerWaalsContact O-CB 3.28Å; T1996-A2000 WeakPolarHBondContact O-CB 3.02Å; T1996-A2000 PolarHBondContact O-N 2.7Å |
| 1997 | S | 33.3 | Very low | 32.6 | Very low | 81 Ų | 81 | 82.7 Ų | 82.7 | 57% | 0.566 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.2 | -37.3 | 167.8 | -163.3 | 0 | 0 | 0 | 0 | 110.6 | R1994 F1995 E2001 | R1994-S1997 PolarHBondContact O-N 2.86Å; F1995-S1997 PolarHBondContact O-N 2.96Å; S1997-E2001 PolarHBondContact O-N 3.07Å |
| 1998 | A | 36.2 | Very low | 32.4 | Very low | 58 Ų | 58 | 90 Ų | 90 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.7 | -31.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1995 T1996 G2002 | F1995-A1998 WeakPolarHBondContact O-CB 3.4Å; F1995-A1998 PolarHBondContact O-N 2.67Å; T1996-A1998 VanDerWaalsContact C-N 3.34Å; A1998-G2002 PolarHBondContact O-N 2.59Å |
| 1999 | L | 28.6 | Very low | 32 | Very low | 83 Ų | 83 | 91.4 Ų | 91.4 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -78.5 | -30.6 | 172.6 | -89.8 | 173.8 | 0 | 0 | 0 | 113.6 | F1995 T1996 E2001 G2002 V2003 | F1995-L1999 HydrophobicContact CD1-CD1 3.72Å; F1995-L1999 HydrophobicContact CD1-CG 4.08Å; F1995-L1999 HydrophobicContact CE1-CD1 3.62Å; F1995-L1999 HydrophobicContact CE1-CG 3.84Å; F1995-L1999 PolarHBondContact O-N 3.32Å; T1996-L1999 PolarHBondContact O-N 2.84Å; L1999-E2001 PolarHBondContact O-N 3.31Å; L1999-G2002 PolarHBondContact O-N 3.37Å; L1999-V2003 HydrophobicContact CD2-CG2 4.43Å; L1999-V2003 WeakPolarHBondContact O-CB 3.44Å; L1999-V2003 VanDerWaalsContact O-CG2 3.3Å; L1999-V2003 WeakPolarHBondContact O-CG2 3.23Å; L1999-V2003 PolarHBondContact O-N 3.39Å |
| 2000 | A | 32.9 | Very low | 32 | Very low | 60 Ų | 60 | 93.9 Ų | 93.9 | 50% | 0.496 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110 | T1996 G2004 | T1996-A2000 VanDerWaalsContact O-CB 3.28Å; T1996-A2000 WeakPolarHBondContact O-CB 3.02Å; T1996-A2000 PolarHBondContact O-N 2.7Å; A2000-G2004 PolarHBondContact O-N 3.25Å |
| 2001 | E | 33.8 | Very low | 32 | Very low | 101 Ų | 101 | 89.9 Ų | 89.9 | 47% | 0.472 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.3 | -38.6 | 171.9 | -72.7 | -177 | 163.7 | 0 | 0 | 112.9 | S1886 S1997 L1999 G2004 I2005 | S1886-E2001 VanDerWaalsContact CB-OE1 3.23Å; S1886-E2001 WeakPolarHBondContact CB-OE1 3.44Å; S1997-E2001 PolarHBondContact O-N 3.07Å; L1999-E2001 PolarHBondContact O-N 3.31Å; E2001-G2004 PolarHBondContact O-N 2.67Å; E2001-I2005 WeakPolarHBondContact O-CG1 3.43Å; E2001-I2005 PolarHBondContact O-N 3.07Å |
| 2002 | G | 29.2 | Very low | 31.8 | Very low | 25 Ų | 25 | 92.8 Ų | 92.8 | 26% | 0.258 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.9 | -37.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A1998 L1999 I2005 I2006 | A1998-G2002 PolarHBondContact O-N 2.59Å; L1999-G2002 PolarHBondContact O-N 3.37Å; G2002-I2005 WeakPolarHBondContact O-CB 3.27Å; G2002-I2005 PolarHBondContact O-N 3.32Å; G2002-I2006 PolarHBondContact O-N 3.38Å |
| 2003 | V | 29.1 | Very low | 32 | Very low | 86 Ų | 86 | 94.3 Ų | 94.3 | 52% | 0.521 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -76.1 | -29.4 | 177.7 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | L1999 I2005 I2006 S2007 | L1999-V2003 HydrophobicContact CD2-CG2 4.43Å; L1999-V2003 WeakPolarHBondContact O-CB 3.44Å; L1999-V2003 VanDerWaalsContact O-CG2 3.3Å; L1999-V2003 WeakPolarHBondContact O-CG2 3.23Å; L1999-V2003 PolarHBondContact O-N 3.39Å; V2003-I2005 VanDerWaalsContact C-N 3.27Å; V2003-I2005 PolarHBondContact O-N 3.36Å; V2003-I2006 PolarHBondContact O-N 2.97Å; V2003-I2006 VanDerWaalsContact O-N 3.14Å; V2003-S2007 WeakPolarHBondContact O-CB 3.34Å; V2003-S2007 PolarHBondContact O-N 2.96Å |
| 2004 | G | 27 | Very low | 31.9 | Very low | 41 Ų | 41 | 96.7 Ų | 96.7 | 42% | 0.423 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.1 | -37.4 | 167 | 0 | 0 | 0 | 0 | 0 | 112.9 | A2000 E2001 I2006 M2008 | A2000-G2004 PolarHBondContact O-N 3.25Å; E2001-G2004 PolarHBondContact O-N 2.67Å; G2004-I2006 VanDerWaalsContact C-N 3.27Å; G2004-I2006 PolarHBondContact O-N 2.93Å; G2004-M2008 PolarHBondContact O-N 2.95Å |
| 2005 | I | 32.8 | Very low | 31.4 | Very low | 126 Ų | 126 | 97.7 Ų | 97.7 | 65% | 0.646 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.8 | -27.7 | 176.8 | -64.5 | 167.5 | 0 | 0 | 0 | 112.2 | E2001 G2002 V2003 | E2001-I2005 WeakPolarHBondContact O-CG1 3.43Å; E2001-I2005 PolarHBondContact O-N 3.07Å; G2002-I2005 WeakPolarHBondContact O-CB 3.27Å; G2002-I2005 PolarHBondContact O-N 3.32Å; V2003-I2005 VanDerWaalsContact C-N 3.27Å; V2003-I2005 PolarHBondContact O-N 3.36Å |
| 2006 | I | 28.8 | Very low | 31.1 | Very low | 150 Ų | 150 | 98.2 Ų | 98.2 | 77% | 0.769 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -92.4 | -29.4 | -179.8 | -62.6 | 175.9 | 0 | 0 | 0 | 112.3 | G2002 V2003 G2004 | G2002-I2006 PolarHBondContact O-N 3.38Å; V2003-I2006 PolarHBondContact O-N 2.97Å; V2003-I2006 VanDerWaalsContact O-N 3.14Å; G2004-I2006 VanDerWaalsContact C-N 3.27Å; G2004-I2006 PolarHBondContact O-N 2.93Å |
| 2007 | S | 27.9 | Very low | 30.8 | Very low | 77 Ų | 77 | 99.3 Ų | 99.3 | 54% | 0.538 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -97.8 | -12.6 | -170.2 | -176.1 | 0 | 0 | 0 | 0 | 116 | V2003 D2009 | V2003-S2007 WeakPolarHBondContact O-CB 3.34Å; V2003-S2007 PolarHBondContact O-N 2.96Å; S2007-D2009 PolarHBondContact O-N 3.42Å |
| 2008 | M | 34.8 | Very low | 30.6 | Very low | 168 Ų | 168 | 104.2 Ų | 104.2 | 83% | 0.828 | 56% | 0.562 | S | S | * | * | trans | 39.8 | 37.7 | 177.7 | -60.9 | -162.8 | 86.1 | 0 | 0 | 115.6 | G2004 | G2004-M2008 PolarHBondContact O-N 2.95Š| ||
| 2009 | D | 27 | Very low | 30.2 | Very low | 109 Ų | 109 | 107.3 Ų | 107.3 | 58% | 0.583 | 57% | 0.57 | S | S | * | * | trans | -124.9 | 93.2 | -178.2 | -147.6 | 4.3 | 0 | 0 | 0 | 109.7 | S2007 S2011 | S2007-D2009 PolarHBondContact O-N 3.42Å; D2009-S2011 VanDerWaalsContact C-N 3.3Å; D2009-S2011 PolarHBondContact O-N 3.12Å | ||
| 2010 | N | 34.9 | Very low | 30.1 | Very low | 131 Ų | 131 | 109 Ų | 109 | 70% | 0.701 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -4.3 | -169.7 | -73.3 | -8.7 | 0 | 0 | 0 | 113.9 | N2012 | N2010-N2012 VanDerWaalsContact C-N 3.28Å; N2010-N2012 PolarHBondContact O-N 2.67Å |
| 2011 | S | 31.5 | Very low | 29.8 | Very low | 77 Ų | 77 | 111 Ų | 111 | 54% | 0.538 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -74.1 | -15.5 | -174.7 | 50.8 | 0 | 0 | 0 | 0 | 114.2 | D2009 | D2009-S2011 VanDerWaalsContact C-N 3.3Å; D2009-S2011 PolarHBondContact O-N 3.12Å |
| 2012 | N | 29.2 | Very low | 29.6 | Very low | 107 Ų | 107 | 113.8 Ų | 113.8 | 57% | 0.572 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -93.6 | -14.7 | 180 | -75.6 | -12.9 | 0 | 0 | 0 | 114.4 | N2010 | N2010-N2012 VanDerWaalsContact C-N 3.28Å; N2010-N2012 PolarHBondContact O-N 2.67Å |
| 2013 | D | 32.1 | Very low | 29.6 | Very low | 92 Ų | 92 | 117.5 Ų | 117.5 | 49% | 0.492 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -77.9 | -38.3 | 178.7 | -76.1 | -17.1 | 0 | 0 | 0 | 111.7 | Y2015 R2016 S2017 | D2013-Y2015 VanDerWaalsContact C-N 3.29Å; D2013-Y2015 PolarHBondContact O-N 2.83Å; D2013-R2016 PolarHBondContact O-N 3.08Å; D2013-R2016 VanDerWaalsContact O-N 3.13Å; D2013-S2017 PolarHBondContact O-N 2.89Å |
| 2014 | E | 32.6 | Very low | 29.8 | Very low | 119 Ų | 119 | 115.3 Ų | 115.3 | 56% | 0.556 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.3 | -32.8 | 175.1 | -99.3 | -170.5 | 162.4 | 0 | 0 | 112.8 | R2016 S2017 | E2014-R2016 VanDerWaalsContact C-N 3.27Å; E2014-R2016 PolarHBondContact O-N 2.82Å; E2014-S2017 PolarHBondContact O-N 3.05Å |
| 2015 | Y | 29.6 | Very low | 30.6 | Very low | 160 Ų | 160 | 121.8 Ų | 121.8 | 63% | 0.627 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.9 | -29.1 | 176.3 | -167.3 | -99.4 | 0 | 0 | 0 | 112 | D2013 L2019 | D2013-Y2015 VanDerWaalsContact C-N 3.29Å; D2013-Y2015 PolarHBondContact O-N 2.83Å; Y2015-L2019 HydrophobicContact CD1-CD1 4.18Å; Y2015-L2019 HydrophobicContact CE1-CD1 3.71Å |
| 2016 | R | 26.8 | Very low | 30.9 | Very low | 145 Ų | 145 | 117.9 Ų | 117.9 | 55% | 0.547 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -78.4 | -32.4 | 178.1 | -79 | -176.8 | 172.9 | 140.3 | -2.6 | 113.4 | D2013 E2014 R2018 | D2013-R2016 PolarHBondContact O-N 3.08Å; D2013-R2016 VanDerWaalsContact O-N 3.13Å; E2014-R2016 VanDerWaalsContact C-N 3.27Å; E2014-R2016 PolarHBondContact O-N 2.82Å; R2016-R2018 VanDerWaalsContact C-N 3.3Å; R2016-R2018 PolarHBondContact O-N 2.85Å |
| 2017 | S | 29.4 | Very low | 31.3 | Very low | 89 Ų | 89 | 112.4 Ų | 112.4 | 62% | 0.622 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.8 | -27.6 | 176.3 | -61.2 | 0 | 0 | 0 | 0 | 113.2 | D2013 E2014 T2020 | D2013-S2017 PolarHBondContact O-N 2.89Å; E2014-S2017 PolarHBondContact O-N 3.05Å; S2017-T2020 PolarHBondContact O-OG1 3.36Å |
| 2018 | R | 29.1 | Very low | 32 | Very low | 184 Ų | 184 | 113.4 Ų | 113.4 | 69% | 0.694 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -78.6 | -17.6 | -178.5 | -68.4 | -174.8 | -172.7 | 170.3 | 6.6 | 114.6 | R2016 | R2016-R2018 VanDerWaalsContact C-N 3.3Å; R2016-R2018 PolarHBondContact O-N 2.85Å |
| 2019 | L | 27 | Very low | 32.7 | Very low | 124 Ų | 124 | 110.1 Ų | 110.1 | 65% | 0.649 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -89 | -1.3 | -176.5 | -72.2 | 171.6 | 0 | 0 | 0 | 114.9 | Y2015 C2021 | Y2015-L2019 HydrophobicContact CD1-CD1 4.18Å; Y2015-L2019 HydrophobicContact CE1-CD1 3.71Å; L2019-C2021 VanDerWaalsContact C-N 3.33Å; L2019-C2021 PolarHBondContact O-N 3.23Å |
| 2020 | T | 26 | Very low | 33.7 | Very low | 119 Ų | 119 | 107.2 Ų | 107.2 | 73% | 0.73 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -86 | 6.2 | 176.2 | 18.6 | 0 | 0 | 0 | 0 | 115.2 | S2017 N2022 | S2017-T2020 PolarHBondContact O-OG1 3.36Å; T2020-N2022 PolarHBondContact O-N 3.32Å |
| 2021 | C | 26.4 | Very low | 34 | Very low | 102 Ų | 102 | 104.4 Ų | 104.4 | 69% | 0.689 | 55% | 0.553 | S | S | * | * | trans | -91.1 | 74.4 | 179.1 | -65.1 | 0 | 0 | 0 | 0 | 112 | L2019 | L2019-C2021 VanDerWaalsContact C-N 3.33Å; L2019-C2021 PolarHBondContact O-N 3.23Å | ||
| 2022 | N | 30.7 | Very low | 34.8 | Very low | 159 Ų | 159 | 104 Ų | 104 | 85% | 0.85 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -170.1 | 103.1 | 153 | -92.1 | -24.5 | 0 | 0 | 0 | 107.8 | T2020 P2024 | T2020-N2022 PolarHBondContact O-N 3.32Å; N2022-P2024 VanDerWaalsContact O-CD 3.3Å; N2022-P2024 WeakPolarHBondContact O-CD 3.34Å |
| 2023 | S | 29.1 | Very low | 35.9 | Very low | 103 Ų | 103 | 100.7 Ų | 100.7 | 72% | 0.72 | 54% | 0.536 | S | S | * | . | trans | -85.6 | 117.6 | -170.1 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2024 | P | 33.7 | Very low | 36.6 | Very low | 40 Ų | 40 | 96.5 Ų | 96.5 | 26% | 0.26 | 51% | 0.514 | S | S | . | . | trans | -74.5 | 153 | 151.4 | -2 | 21.3 | 0 | 0 | 0 | 109.7 | N2022 E2029 H2030 | N2022-P2024 VanDerWaalsContact O-CD 3.3Å; N2022-P2024 WeakPolarHBondContact O-CD 3.34Å; P2024-E2029 HydrophobicContact CB-CB 3.62Å; P2024-E2029 WeakPolarHBondContact CB-OE2 3.11Å; P2024-H2030 PolarHBondContact O-NE2 2.8Å | ||
| 2025 | Q | 43 | Very low | 37.2 | Very low | 177 Ų | 177 | 96.2 Ų | 96.2 | 83% | 0.827 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -106.3 | 12.7 | -171.6 | -71.2 | -171.6 | -13.1 | 0 | 0 | 113.9 | E2029 | Q2025-E2029 PolarHBondContact N-OE2 2.99Š|
| 2026 | S | 40.2 | Very low | 38.1 | Very low | 43 Ų | 43 | 97.9 Ų | 97.9 | 30% | 0.301 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -135.6 | 139.5 | -176.2 | 162 | 0 | 0 | 0 | 0 | 112.4 | V2028 E2029 H2030 | S2026-V2028 PolarHBondContact O-N 3.08Å; S2026-V2028 PolarHBondContact OG-N 2.94Å; S2026-E2029 WeakPolarHBondContact O-CB 3.35Å; S2026-E2029 PolarHBondContact O-N 3.04Å; S2026-H2030 PolarHBondContact O-N 2.82Å; S2026-H2030 VanDerWaalsContact O-N 3.14Å |
| 2027 | A | 36.8 | Very low | 39.2 | Very low | 35 Ų | 35 | 95.1 Ų | 95.1 | 29% | 0.289 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -53.5 | -33.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A2094 | A2027-A2094 HydrophobicContact CB-CB 4.08Å; A2027-A2094 VanDerWaalsContact O-CB 3.3Å; A2027-A2094 WeakPolarHBondContact O-CB 3.47Å |
| 2028 | V | 42.6 | Very low | 40.2 | Very low | 99 Ų | 99 | 94.1 Ų | 94.1 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -73.2 | -35.6 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | S2026 L2031 V2032 | S2026-V2028 PolarHBondContact O-N 3.08Å; S2026-V2028 PolarHBondContact OG-N 2.94Å; V2028-L2031 PolarHBondContact O-N 3.07Å; V2028-V2032 HydrophobicContact CG1-CG2 4.28Å; V2028-V2032 VanDerWaalsContact O-CG2 3.24Å; V2028-V2032 WeakPolarHBondContact O-CG2 3.46Å; V2028-V2032 PolarHBondContact O-N 3.18Å |
| 2029 | E | 49.5 | Very low | 41 | Very low | 99 Ų | 99 | 87.1 Ų | 87.1 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.2 | -36.9 | -179.1 | -68.6 | 177.7 | 165.3 | 0 | 0 | 112.4 | P2024 Q2025 S2026 L2031 V2032 A2033 | P2024-E2029 HydrophobicContact CB-CB 3.62Å; P2024-E2029 WeakPolarHBondContact CB-OE2 3.11Å; Q2025-E2029 PolarHBondContact N-OE2 2.99Å; S2026-E2029 WeakPolarHBondContact O-CB 3.35Å; S2026-E2029 PolarHBondContact O-N 3.04Å; E2029-L2031 VanDerWaalsContact C-N 3.33Å; E2029-L2031 PolarHBondContact O-N 3.31Å; E2029-V2032 PolarHBondContact O-N 3.43Å; E2029-A2033 WeakPolarHBondContact O-CB 3.29Å; E2029-A2033 PolarHBondContact O-N 2.69Å |
| 2030 | H | 47.9 | Very low | 42 | Very low | 48 Ų | 48 | 84.2 Ų | 84.2 | 22% | 0.222 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 172.3 | -79.4 | -63.9 | 0 | 0 | 0 | 112.2 | P2024 S2026 G2034 G2090 T2093 | P2024-H2030 PolarHBondContact O-NE2 2.8Å; S2026-H2030 PolarHBondContact O-N 2.82Å; S2026-H2030 VanDerWaalsContact O-N 3.14Å; H2030-G2034 PolarHBondContact O-N 3.01Å; H2030-G2034 VanDerWaalsContact O-N 3.12Å; H2030-G2090 WeakPolarHBondContact O-CA 3.47Å; H2030-T2093 WeakPolarHBondContact CB-OG1 3.45Å |
| 2031 | L | 41.3 | Very low | 43 | Very low | 71 Ų | 71 | 79 Ų | 79 | 37% | 0.372 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 174.9 | -172.1 | 77.5 | 0 | 0 | 0 | 111.6 | V2028 E2029 G2034 M2035 A2091 | V2028-L2031 PolarHBondContact O-N 3.07Å; E2029-L2031 VanDerWaalsContact C-N 3.33Å; E2029-L2031 PolarHBondContact O-N 3.31Å; L2031-G2034 PolarHBondContact O-N 3.01Å; L2031-M2035 WeakPolarHBondContact O-CG 3.49Å; L2031-M2035 PolarHBondContact O-N 3.36Å; L2031-A2091 HydrophobicContact CD1-CB 3.88Å |
| 2032 | V | 49.1 | Very low | 44 | Very low | 68 Ų | 68 | 77.5 Ų | 77.5 | 41% | 0.412 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | -180 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | V2028 E2029 M2035 R2036 | V2028-V2032 HydrophobicContact CG1-CG2 4.28Å; V2028-V2032 VanDerWaalsContact O-CG2 3.24Å; V2028-V2032 WeakPolarHBondContact O-CG2 3.46Å; V2028-V2032 PolarHBondContact O-N 3.18Å; E2029-V2032 PolarHBondContact O-N 3.43Å; V2032-M2035 PolarHBondContact O-N 2.67Å; V2032-R2036 PolarHBondContact O-N 3.33Å |
| 2033 | A | 50.8 | Low | 44.9 | Very low | 39 Ų | 39 | 77.5 Ų | 77.5 | 32% | 0.322 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E2029 M2035 R2036 D2037 | E2029-A2033 WeakPolarHBondContact O-CB 3.29Å; E2029-A2033 PolarHBondContact O-N 2.69Å; A2033-M2035 VanDerWaalsContact C-N 3.31Å; A2033-M2035 PolarHBondContact O-N 3.03Å; A2033-R2036 PolarHBondContact O-N 2.93Å; A2033-D2037 PolarHBondContact O-N 3.11Å |
| 2034 | G | 46.8 | Very low | 45.8 | Very low | 3 Ų | 3 | 73.3 Ų | 73.3 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.6 | -37.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | H2030 L2031 F2038 S2086 L2087 | H2030-G2034 PolarHBondContact O-N 3.01Å; H2030-G2034 VanDerWaalsContact O-N 3.12Å; L2031-G2034 PolarHBondContact O-N 3.01Å; G2034-F2038 WeakPolarHBondContact O-CB 3.41Å; G2034-F2038 PolarHBondContact O-N 2.69Å; G2034-S2086 WeakPolarHBondContact CA-O 3.08Å; G2034-L2087 WeakPolarHBondContact O-CA 3.37Å; G2034-L2087 PolarHBondContact O-N 2.68Å |
| 2035 | M | 46.4 | Very low | 46.4 | Very low | 113 Ų | 113 | 71.4 Ų | 71.4 | 56% | 0.557 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.7 | -40.1 | 174.7 | -76.1 | -170.7 | 72 | 0 | 0 | 113.8 | L2031 V2032 A2033 G2039 L2087 | L2031-M2035 WeakPolarHBondContact O-CG 3.49Å; L2031-M2035 PolarHBondContact O-N 3.36Å; V2032-M2035 PolarHBondContact O-N 2.67Å; A2033-M2035 VanDerWaalsContact C-N 3.31Å; A2033-M2035 PolarHBondContact O-N 3.03Å; M2035-G2039 PolarHBondContact O-N 2.78Å; M2035-G2039 VanDerWaalsContact O-N 3.09Å; M2035-L2087 HydrophobicContact CB-CD1 4.47Å; M2035-L2087 HydrophobicContact CG-CD1 3.93Å |
| 2036 | R | 47.4 | Very low | 46.7 | Very low | 195 Ų | 195 | 69.7 Ų | 69.7 | 74% | 0.736 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.2 | -44.4 | 176.2 | -84.9 | -177.1 | 170.1 | 168 | -1.7 | 111.8 | V2032 A2033 F2038 G2039 A2040 | V2032-R2036 PolarHBondContact O-N 3.33Å; A2033-R2036 PolarHBondContact O-N 2.93Å; R2036-F2038 VanDerWaalsContact C-N 3.32Å; R2036-F2038 PolarHBondContact O-N 2.8Å; R2036-G2039 PolarHBondContact O-N 3.45Å; R2036-A2040 PolarHBondContact O-N 3.46Å |
| 2037 | D | 49.7 | Very low | 47.5 | Very low | 87 Ų | 87 | 70.7 Ų | 70.7 | 47% | 0.465 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.4 | -34.3 | 179.5 | -69.9 | -12.3 | 0 | 0 | 0 | 112.1 | A2033 A2040 G2041 S2086 | A2033-D2037 PolarHBondContact O-N 3.11Å; D2037-A2040 PolarHBondContact O-N 3.42Å; D2037-G2041 PolarHBondContact O-N 3.17Å; D2037-S2086 VanDerWaalsContact CB-CB 3.41Å |
| 2038 | F | 51.9 | Low | 48.2 | Very low | 68 Ų | 68 | 69 Ų | 69 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 169.6 | 175.9 | -110.4 | 0 | 0 | 0 | 112.7 | G2034 R2036 A2040 G2041 L2042 G2083 I2084 L2087 | G2034-F2038 WeakPolarHBondContact O-CB 3.41Å; G2034-F2038 PolarHBondContact O-N 2.69Å; R2036-F2038 VanDerWaalsContact C-N 3.32Å; R2036-F2038 PolarHBondContact O-N 2.8Å; F2038-A2040 VanDerWaalsContact C-N 3.3Å; F2038-A2040 PolarHBondContact O-N 3.37Å; F2038-G2041 PolarHBondContact O-N 3.46Å; F2038-L2042 HydrophobicContact CE1-CD1 3.99Å; F2038-L2042 HydrophobicContact CE2-CD1 3.67Å; F2038-L2042 HydrophobicContact CZ-CD1 3.34Å; F2038-L2042 PolarHBondContact O-N 3.32Å; F2038-G2083 WeakPolarHBondContact CA-O 3.35Å; F2038-G2083 WeakPolarHBondContact CB-O 3.49Å; F2038-I2084 HydrophobicContact CD2-CG1 4.04Å; F2038-I2084 HydrophobicContact CE2-CG1 3.66Å; F2038-L2087 HydrophobicContact CB-CB 4.06Å; F2038-L2087 HydrophobicContact CB-CD1 3.48Å; F2038-L2087 VanDerWaalsContact CB-CD1 3.48Å; F2038-L2087 HydrophobicContact CB-CG 4.39Å; F2038-L2087 HydrophobicContact CD1-CD1 3.77Å; F2038-L2087 HydrophobicContact CD2-CD1 4.33Å; F2038-L2087 HydrophobicContact CG-CD1 3.6Å |
| 2039 | G | 44.8 | Very low | 48.6 | Very low | 38 Ų | 38 | 67.4 Ų | 67.4 | 39% | 0.392 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | M2035 R2036 F2043 | M2035-G2039 PolarHBondContact O-N 2.78Å; M2035-G2039 VanDerWaalsContact O-N 3.09Å; R2036-G2039 PolarHBondContact O-N 3.45Å; G2039-F2043 WeakPolarHBondContact O-CB 3.32Å; G2039-F2043 PolarHBondContact O-N 3.16Å |
| 2040 | A | 49.2 | Very low | 49.2 | Very low | 63 Ų | 63 | 67.4 Ų | 67.4 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | R2036 D2037 F2038 G2044 | R2036-A2040 PolarHBondContact O-N 3.46Å; D2037-A2040 PolarHBondContact O-N 3.42Å; F2038-A2040 VanDerWaalsContact C-N 3.3Å; F2038-A2040 PolarHBondContact O-N 3.37Å; A2040-G2044 PolarHBondContact O-N 3.28Å |
| 2041 | G | 47.1 | Very low | 50.1 | Low | 10 Ų | 10 | 67.2 Ų | 67.2 | 10% | 0.103 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D2037 F2038 G2045 K2079 | D2037-G2041 PolarHBondContact O-N 3.17Å; F2038-G2041 PolarHBondContact O-N 3.46Å; G2041-G2045 PolarHBondContact O-N 2.95Å; G2041-K2079 CarbonylContact C-O 3.51Å; G2041-K2079 WeakPolarHBondContact CA-O 3.49Å; G2041-K2079 CarbonylContact O-C 3.53Å; G2041-K2079 VanDerWaalsContact O-C 3.28Å; G2041-K2079 WeakPolarHBondContact O-CB 3.39Å |
| 2042 | L | 45.9 | Very low | 51.4 | Low | 70 Ų | 70 | 65.8 Ų | 65.8 | 37% | 0.366 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.2 | -45.6 | 178.9 | -141.3 | 141.8 | 0 | 0 | 0 | 111.3 | F2038 G2044 G2045 M2046 | F2038-L2042 HydrophobicContact CE1-CD1 3.99Å; F2038-L2042 HydrophobicContact CE2-CD1 3.67Å; F2038-L2042 HydrophobicContact CZ-CD1 3.34Å; F2038-L2042 PolarHBondContact O-N 3.32Å; L2042-G2044 PolarHBondContact O-N 3.31Å; L2042-G2045 PolarHBondContact O-N 3Å; L2042-M2046 HydrophobicContact CD2-SD 4.31Å; L2042-M2046 PolarHBondContact O-N 3.3Å; L2042-M2046 VanDerWaalsContact O-N 3.17Å |
| 2043 | F | 49.4 | Very low | 52.1 | Low | 158 Ų | 158 | 63.1 Ų | 63.1 | 69% | 0.693 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65 | -39.3 | 176.7 | -148 | -87.5 | 0 | 0 | 0 | 111.8 | G2039 T2047 | G2039-F2043 WeakPolarHBondContact O-CB 3.32Å; G2039-F2043 PolarHBondContact O-N 3.16Å; F2043-T2047 HydrophobicContact CD1-CG2 4.3Å; F2043-T2047 HydrophobicContact CE1-CG2 4.36Å; F2043-T2047 WeakPolarHBondContact O-CB 3.5Å; F2043-T2047 WeakPolarHBondContact O-CG2 3.08Å; F2043-T2047 PolarHBondContact O-N 2.8Å; F2043-T2047 VanDerWaalsContact O-N 3.15Å; F2043-T2047 PolarHBondContact O-OG1 3.22Å |
| 2044 | G | 48.4 | Very low | 52.7 | Low | 15 Ų | 15 | 64.9 Ų | 64.9 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.8 | -33.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | A2040 L2042 T2047 S2048 K2079 | A2040-G2044 PolarHBondContact O-N 3.28Å; L2042-G2044 PolarHBondContact O-N 3.31Å; G2044-T2047 VanDerWaalsContact CA-OG1 3.3Å; G2044-T2047 WeakPolarHBondContact CA-OG1 3.48Å; G2044-T2047 PolarHBondContact O-OG1 3.09Å; G2044-S2048 WeakPolarHBondContact O-CB 3.38Å; G2044-S2048 PolarHBondContact O-N 2.81Å; G2044-K2079 VanDerWaalsContact C-CD 3.4Å; G2044-K2079 WeakPolarHBondContact O-CD 3.36Å; G2044-K2079 PolarHBondContact O-NZ 2.9Å |
| 2045 | G | 46.7 | Very low | 53.7 | Low | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.1 | -50.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G2041 L2042 T2047 S2048 T2076 | G2041-G2045 PolarHBondContact O-N 2.95Å; L2042-G2045 PolarHBondContact O-N 3Å; G2045-T2047 VanDerWaalsContact C-N 3.3Å; G2045-T2047 PolarHBondContact O-N 2.81Å; G2045-S2048 PolarHBondContact O-N 3.03Å; G2045-S2048 PolarHBondContact O-OG 3.45Å; G2045-T2076 PolarHBondContact O-OG1 3.47Å |
| 2046 | M | 50 | Low | 54 | Low | 142 Ų | 142 | 63.6 Ų | 63.6 | 70% | 0.7 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.6 | -37.3 | 178.2 | -65.7 | -177.2 | 113.9 | 0 | 0 | 112.4 | L2042 | L2042-M2046 HydrophobicContact CD2-SD 4.31Å; L2042-M2046 PolarHBondContact O-N 3.3Å; L2042-M2046 VanDerWaalsContact O-N 3.17Å |
| 2047 | T | 56.2 | Low | 54.4 | Low | 63 Ų | 63 | 55.9 Ų | 55.9 | 39% | 0.387 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -75.2 | -26.9 | 178 | 45.8 | 0 | 0 | 0 | 0 | 113.3 | F2043 G2044 G2045 L2049 V2050 S2051 | F2043-T2047 HydrophobicContact CD1-CG2 4.3Å; F2043-T2047 HydrophobicContact CE1-CG2 4.36Å; F2043-T2047 WeakPolarHBondContact O-CB 3.5Å; F2043-T2047 WeakPolarHBondContact O-CG2 3.08Å; F2043-T2047 PolarHBondContact O-N 2.8Å; F2043-T2047 VanDerWaalsContact O-N 3.15Å; F2043-T2047 PolarHBondContact O-OG1 3.22Å; G2044-T2047 VanDerWaalsContact CA-OG1 3.3Å; G2044-T2047 WeakPolarHBondContact CA-OG1 3.48Å; G2044-T2047 PolarHBondContact O-OG1 3.09Å; G2045-T2047 VanDerWaalsContact C-N 3.3Å; G2045-T2047 PolarHBondContact O-N 2.81Å; T2047-L2049 VanDerWaalsContact C-N 3.32Å; T2047-L2049 PolarHBondContact O-N 2.87Å; T2047-V2050 PolarHBondContact O-N 2.58Å; T2047-V2050 VanDerWaalsContact O-N 3.15Å; T2047-S2051 WeakPolarHBondContact O-CB 3.36Å; T2047-S2051 PolarHBondContact O-N 2.88Å; T2047-S2051 PolarHBondContact O-OG 3.22Å |
| 2048 | S | 52.2 | Low | 54.7 | Low | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.6 | -31.1 | -174.4 | 69.3 | 0 | 0 | 0 | 0 | 115 | G2044 G2045 V2050 N2052 G2072 G2075 T2076 | G2044-S2048 WeakPolarHBondContact O-CB 3.38Å; G2044-S2048 PolarHBondContact O-N 2.81Å; G2045-S2048 PolarHBondContact O-N 3.03Å; G2045-S2048 PolarHBondContact O-OG 3.45Å; S2048-V2050 VanDerWaalsContact C-N 3.34Å; S2048-N2052 WeakPolarHBondContact O-CB 2.96Å; S2048-N2052 PolarHBondContact O-N 3.4Å; S2048-N2052 VanDerWaalsContact O-N 3.13Å; S2048-N2052 PolarHBondContact O-ND2 3.33Å; S2048-G2072 WeakPolarHBondContact O-CA 3.46Å; S2048-G2072 PolarHBondContact OG-O 2.96Å; S2048-G2075 WeakPolarHBondContact OG-CA 3.48Å; S2048-T2076 PolarHBondContact OG-N 2.77Å; S2048-T2076 VanDerWaalsContact OG-N 3.09Å; S2048-T2076 PolarHBondContact OG-OG1 2.88Å |
| 2049 | L | 49.4 | Very low | 55 | Low | 66 Ų | 66 | 60.1 Ų | 60.1 | 35% | 0.346 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 176.1 | -112.8 | 161.4 | 0 | 0 | 0 | 111.5 | T2047 A2053 L2073 T2076 | T2047-L2049 VanDerWaalsContact C-N 3.32Å; T2047-L2049 PolarHBondContact O-N 2.87Å; L2049-A2053 WeakPolarHBondContact O-CB 3.31Å; L2049-L2073 HydrophobicContact CD2-CG 4.44Å; L2049-T2076 HydrophobicContact CD1-CG2 3.93Å; L2049-T2076 VanDerWaalsContact CD1-OG1 3.24Å; L2049-T2076 WeakPolarHBondContact CD1-OG1 2.89Å; L2049-T2076 VanDerWaalsContact CG-OG1 3.25Å; L2049-T2076 WeakPolarHBondContact CG-OG1 3.38Å |
| 2050 | V | 62.9 | Low | 55.3 | Low | 99 Ų | 99 | 66.2 Ų | 66.2 | 60% | 0.6 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -84.1 | -48.2 | -178.9 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | T2047 S2048 N2052 A2053 V2054 | T2047-V2050 PolarHBondContact O-N 2.58Å; T2047-V2050 VanDerWaalsContact O-N 3.15Å; S2048-V2050 VanDerWaalsContact C-N 3.34Å; V2050-N2052 PolarHBondContact O-N 3.33Å; V2050-A2053 PolarHBondContact O-N 3.27Å; V2050-V2054 HydrophobicContact CG1-CG2 4.2Å; V2050-V2054 WeakPolarHBondContact O-CB 3.35Å; V2050-V2054 WeakPolarHBondContact O-CG2 3.47Å; V2050-V2054 PolarHBondContact O-N 2.88Å |
| 2051 | S | 67.2 | Low | 55.5 | Low | 44 Ų | 44 | 65 Ų | 65 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.5 | -49.5 | -176.3 | 71.3 | 0 | 0 | 0 | 0 | 111.4 | T2047 A2053 V2054 D2055 | T2047-S2051 WeakPolarHBondContact O-CB 3.36Å; T2047-S2051 PolarHBondContact O-N 2.88Å; T2047-S2051 PolarHBondContact O-OG 3.22Å; S2051-A2053 VanDerWaalsContact C-N 3.34Å; S2051-A2053 PolarHBondContact O-N 3.11Å; S2051-V2054 PolarHBondContact O-N 2.77Å; S2051-D2055 WeakPolarHBondContact O-CB 3.27Å; S2051-D2055 PolarHBondContact O-N 2.92Å |
| 2052 | N | 68.2 | Low | 56.3 | Low | 40 Ų | 40 | 70.3 Ų | 70.3 | 21% | 0.214 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.7 | -32.3 | -177.5 | -65.5 | -15.4 | 0 | 0 | 0 | 112 | S2048 V2050 G2056 G2068 R2071 | S2048-N2052 WeakPolarHBondContact O-CB 2.96Å; S2048-N2052 PolarHBondContact O-N 3.4Å; S2048-N2052 VanDerWaalsContact O-N 3.13Å; S2048-N2052 PolarHBondContact O-ND2 3.33Å; V2050-N2052 PolarHBondContact O-N 3.33Å; N2052-G2056 PolarHBondContact O-N 2.99Å; N2052-G2068 CarbonylContact C-O 3.58Å; N2052-G2068 VanDerWaalsContact CB-O 3.3Å; N2052-G2068 WeakPolarHBondContact CB-O 3.23Å; N2052-G2068 CarbonylContact O-C 3.3Å; N2052-G2068 WeakPolarHBondContact O-CA 3.15Å; N2052-R2071 HydrophobicContact CB-CB 4.18Å; N2052-R2071 PolarHBondContact ND2-O 3.09Å |
| 2053 | A | 63.7 | Low | 56.8 | Low | 13 Ų | 13 | 75 Ų | 75 | 11% | 0.107 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.1 | -40.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2049 V2050 S2051 A2057 I2069 | L2049-A2053 WeakPolarHBondContact O-CB 3.31Å; V2050-A2053 PolarHBondContact O-N 3.27Å; S2051-A2053 VanDerWaalsContact C-N 3.34Å; S2051-A2053 PolarHBondContact O-N 3.11Å; A2053-A2057 VanDerWaalsContact O-CB 3.24Å; A2053-A2057 WeakPolarHBondContact O-CB 3.48Å; A2053-A2057 PolarHBondContact O-N 2.88Å; A2053-I2069 HydrophobicContact CB-CG1 3.79Å |
| 2054 | V | 64.2 | Low | 57.3 | Low | 75 Ų | 75 | 67.5 Ų | 67.5 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.8 | -48.8 | 175.1 | 170 | 0 | 0 | 0 | 0 | 110.8 | V2050 S2051 G2056 A2057 L2058 | V2050-V2054 HydrophobicContact CG1-CG2 4.2Å; V2050-V2054 WeakPolarHBondContact O-CB 3.35Å; V2050-V2054 WeakPolarHBondContact O-CG2 3.47Å; V2050-V2054 PolarHBondContact O-N 2.88Å; S2051-V2054 PolarHBondContact O-N 2.77Å; V2054-G2056 PolarHBondContact O-N 2.89Å; V2054-A2057 PolarHBondContact O-N 3.37Å; V2054-L2058 HydrophobicContact CG1-CD1 3.88Å; V2054-L2058 WeakPolarHBondContact O-CB 3.35Å; V2054-L2058 WeakPolarHBondContact O-CG 3.32Å; V2054-L2058 PolarHBondContact O-N 2.82Å |
| 2055 | D | 66.3 | Low | 58 | Low | 81 Ų | 81 | 70.2 Ų | 70.2 | 43% | 0.433 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 178.7 | -65 | -22.7 | 0 | 0 | 0 | 110.8 | S2051 A2057 L2058 D2059 | S2051-D2055 WeakPolarHBondContact O-CB 3.27Å; S2051-D2055 PolarHBondContact O-N 2.92Å; D2055-A2057 PolarHBondContact O-N 2.9Å; D2055-L2058 PolarHBondContact O-N 3.28Å; D2055-D2059 WeakPolarHBondContact O-CB 3.41Å; D2055-D2059 PolarHBondContact O-N 3.27Å |
| 2056 | G | 53.8 | Low | 59 | Low | 8 Ų | 8 | 74.8 Ų | 74.8 | 8% | 0.082 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N2052 V2054 L2058 D2059 Y2060 G2064 | N2052-G2056 PolarHBondContact O-N 2.99Å; V2054-G2056 PolarHBondContact O-N 2.89Å; G2056-L2058 VanDerWaalsContact C-N 3.35Å; G2056-L2058 PolarHBondContact O-N 2.82Å; G2056-D2059 PolarHBondContact O-N 2.83Å; G2056-Y2060 PolarHBondContact O-N 3.46Å; G2056-G2064 CarbonylContact C-O 3.53Å; G2056-G2064 VanDerWaalsContact CA-O 3.28Å; G2056-G2064 WeakPolarHBondContact CA-O 3.41Å; G2056-G2064 CarbonylContact O-C 3.57Å; G2056-G2064 WeakPolarHBondContact O-CA 3.11Å |
| 2057 | A | 55.2 | Low | 59.7 | Low | 34 Ų | 34 | 70.2 Ų | 70.2 | 28% | 0.281 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65 | -37 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A2053 V2054 D2055 G2061 L2065 | A2053-A2057 VanDerWaalsContact O-CB 3.24Å; A2053-A2057 WeakPolarHBondContact O-CB 3.48Å; A2053-A2057 PolarHBondContact O-N 2.88Å; V2054-A2057 PolarHBondContact O-N 3.37Å; D2055-A2057 PolarHBondContact O-N 2.9Å; A2057-G2061 VanDerWaalsContact O-CA 3.28Å; A2057-G2061 WeakPolarHBondContact O-CA 3.46Å; A2057-G2061 PolarHBondContact O-N 3.06Å; A2057-G2061 VanDerWaalsContact O-N 3.07Å; A2057-L2065 HydrophobicContact CB-CB 3.96Å; A2057-L2065 HydrophobicContact CB-CD1 3.77Å; A2057-L2065 HydrophobicContact CB-CG 4.47Å |
| 2058 | L | 55.2 | Low | 60.2 | Low | 131 Ų | 131 | 67.3 Ų | 67.3 | 69% | 0.686 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -67 | -41.6 | 176.2 | -76.9 | 167.2 | 0 | 0 | 0 | 111.7 | V2054 D2055 G2056 | V2054-L2058 HydrophobicContact CG1-CD1 3.88Å; V2054-L2058 WeakPolarHBondContact O-CB 3.35Å; V2054-L2058 WeakPolarHBondContact O-CG 3.32Å; V2054-L2058 PolarHBondContact O-N 2.82Å; D2055-L2058 PolarHBondContact O-N 3.28Å; G2056-L2058 VanDerWaalsContact C-N 3.35Å; G2056-L2058 PolarHBondContact O-N 2.82Å |
| 2059 | D | 59 | Low | 60.7 | Low | 113 Ų | 113 | 70.6 Ų | 70.6 | 60% | 0.604 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -79.7 | -39.3 | -174 | -70.5 | -20.6 | 0 | 0 | 0 | 113.5 | D2055 G2056 | D2055-D2059 WeakPolarHBondContact O-CB 3.41Å; D2055-D2059 PolarHBondContact O-N 3.27Å; G2056-D2059 PolarHBondContact O-N 2.83Å |
| 2060 | Y | 51.8 | Low | 61 | Low | 166 Ų | 166 | 70.1 Ų | 70.1 | 65% | 0.651 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -136.2 | 21.2 | -171.4 | -49.7 | -87.3 | 0 | 0 | 0 | 114.5 | G2056 G2064 | G2056-Y2060 PolarHBondContact O-N 3.46Å; Y2060-G2064 PolarHBondContact O-N 3.26Å; Y2060-G2064 VanDerWaalsContact O-N 3.12Å |
| 2061 | G | 53.3 | Low | 60.8 | Low | 38 Ų | 38 | 73.9 Ų | 73.9 | 39% | 0.392 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | 59.7 | -141.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2057 Q2063 G2064 L2065 | A2057-G2061 VanDerWaalsContact O-CA 3.28Å; A2057-G2061 WeakPolarHBondContact O-CA 3.46Å; A2057-G2061 PolarHBondContact O-N 3.06Å; A2057-G2061 VanDerWaalsContact O-N 3.07Å; G2061-Q2063 VanDerWaalsContact C-N 3.31Å; G2061-Q2063 PolarHBondContact O-N 3.31Å; G2061-G2064 CarbonylContact O-C 3.53Å; G2061-G2064 WeakPolarHBondContact O-CA 3.47Å; G2061-G2064 PolarHBondContact O-N 3.29Å; G2061-L2065 PolarHBondContact O-N 2.91Å |
| 2062 | V | 63.7 | Low | 60.4 | Low | 120 Ų | 120 | 71.8 Ų | 71.8 | 73% | 0.727 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.8 | -39.8 | -176.7 | -178.4 | 0 | 0 | 0 | 0 | 112.5 | G2064 L2065 V2066 | V2062-G2064 VanDerWaalsContact C-N 3.25Å; V2062-G2064 PolarHBondContact O-N 3.44Å; V2062-L2065 PolarHBondContact O-N 3.32Å; V2062-V2066 PolarHBondContact O-N 3.02Å |
| 2063 | Q | 55.4 | Low | 59.7 | Low | 169 Ų | 169 | 74.5 Ų | 74.5 | 79% | 0.79 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.1 | -36.1 | 177.6 | -156.6 | 173.9 | 10.4 | 0 | 0 | 110.7 | G2061 S2067 | G2061-Q2063 VanDerWaalsContact C-N 3.31Å; G2061-Q2063 PolarHBondContact O-N 3.31Å; Q2063-S2067 PolarHBondContact O-N 3.17Å; Q2063-S2067 VanDerWaalsContact O-N 3.13Å |
| 2064 | G | 60.3 | Low | 59.2 | Low | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G2056 Y2060 G2061 V2062 V2066 S2067 G2068 | G2056-G2064 CarbonylContact C-O 3.53Å; G2056-G2064 VanDerWaalsContact CA-O 3.28Å; G2056-G2064 WeakPolarHBondContact CA-O 3.41Å; G2056-G2064 CarbonylContact O-C 3.57Å; G2056-G2064 WeakPolarHBondContact O-CA 3.11Å; Y2060-G2064 PolarHBondContact O-N 3.26Å; Y2060-G2064 VanDerWaalsContact O-N 3.12Å; G2061-G2064 CarbonylContact O-C 3.53Å; G2061-G2064 WeakPolarHBondContact O-CA 3.47Å; G2061-G2064 PolarHBondContact O-N 3.29Å; V2062-G2064 VanDerWaalsContact C-N 3.25Å; V2062-G2064 PolarHBondContact O-N 3.44Å; G2064-V2066 VanDerWaalsContact C-N 3.34Å; G2064-V2066 PolarHBondContact O-N 3.41Å; G2064-S2067 CarbonylContact O-C 3.53Å; G2064-S2067 PolarHBondContact O-N 3.48Å; G2064-S2067 PolarHBondContact O-OG 3.28Å; G2064-G2068 PolarHBondContact O-N 3.25Å |
| 2065 | L | 62.7 | Low | 58.3 | Low | 73 Ų | 73 | 75 Ų | 75 | 38% | 0.382 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.4 | -45.9 | 174.6 | -177.9 | 106.7 | 0 | 0 | 0 | 111 | A2057 G2061 V2062 G2068 I2069 | A2057-L2065 HydrophobicContact CB-CB 3.96Å; A2057-L2065 HydrophobicContact CB-CD1 3.77Å; A2057-L2065 HydrophobicContact CB-CG 4.47Å; G2061-L2065 PolarHBondContact O-N 2.91Å; V2062-L2065 PolarHBondContact O-N 3.32Å; L2065-G2068 PolarHBondContact O-N 3.46Å; L2065-I2069 HydrophobicContact CD2-CD1 4.04Å; L2065-I2069 HydrophobicContact CG-CD1 4.09Å; L2065-I2069 WeakPolarHBondContact O-CG1 3.28Å; L2065-I2069 PolarHBondContact O-N 2.78Å |
| 2066 | V | 69.2 | Low | 57.7 | Low | 95 Ų | 95 | 73.2 Ų | 73.2 | 58% | 0.576 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.7 | -44.7 | 176.9 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | V2062 G2064 G2068 I2069 A2070 | V2062-V2066 PolarHBondContact O-N 3.02Å; G2064-V2066 VanDerWaalsContact C-N 3.34Å; G2064-V2066 PolarHBondContact O-N 3.41Å; V2066-G2068 VanDerWaalsContact C-N 3.26Å; V2066-G2068 PolarHBondContact O-N 2.92Å; V2066-I2069 PolarHBondContact O-N 3.33Å; V2066-A2070 WeakPolarHBondContact O-CB 3.39Å; V2066-A2070 PolarHBondContact O-N 3.27Å |
| 2067 | S | 63.9 | Low | 57.5 | Low | 47 Ų | 47 | 77.5 Ų | 77.5 | 33% | 0.329 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.2 | -34.8 | 175.8 | 83.1 | 0 | 0 | 0 | 0 | 112.6 | Q2063 G2064 A2070 R2071 | Q2063-S2067 PolarHBondContact O-N 3.17Å; Q2063-S2067 VanDerWaalsContact O-N 3.13Å; G2064-S2067 CarbonylContact O-C 3.53Å; G2064-S2067 PolarHBondContact O-N 3.48Å; G2064-S2067 PolarHBondContact O-OG 3.28Å; S2067-A2070 PolarHBondContact O-N 3.35Å; S2067-R2071 WeakPolarHBondContact O-CG 3.27Å; S2067-R2071 PolarHBondContact O-N 3.26Å |
| 2068 | G | 66.6 | Low | 57.2 | Low | 2 Ų | 2 | 78.9 Ų | 78.9 | 2% | 0.021 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -71.3 | -42.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N2052 G2064 L2065 V2066 R2071 G2072 | N2052-G2068 CarbonylContact C-O 3.58Å; N2052-G2068 VanDerWaalsContact CB-O 3.3Å; N2052-G2068 WeakPolarHBondContact CB-O 3.23Å; N2052-G2068 CarbonylContact O-C 3.3Å; N2052-G2068 WeakPolarHBondContact O-CA 3.15Å; G2064-G2068 PolarHBondContact O-N 3.25Å; L2065-G2068 PolarHBondContact O-N 3.46Å; V2066-G2068 VanDerWaalsContact C-N 3.26Å; V2066-G2068 PolarHBondContact O-N 2.92Å; G2068-R2071 PolarHBondContact O-N 2.7Å; G2068-G2072 PolarHBondContact O-N 3.24Å |
| 2069 | I | 61.9 | Low | 56.7 | Low | 69 Ų | 69 | 75.9 Ų | 75.9 | 35% | 0.354 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 171.3 | -68.6 | 167.9 | 0 | 0 | 0 | 110.1 | A2053 L2065 V2066 R2071 G2072 L2073 | A2053-I2069 HydrophobicContact CB-CG1 3.79Å; L2065-I2069 HydrophobicContact CD2-CD1 4.04Å; L2065-I2069 HydrophobicContact CG-CD1 4.09Å; L2065-I2069 WeakPolarHBondContact O-CG1 3.28Å; L2065-I2069 PolarHBondContact O-N 2.78Å; V2066-I2069 PolarHBondContact O-N 3.33Å; I2069-R2071 PolarHBondContact O-N 3.44Å; I2069-G2072 PolarHBondContact O-N 3.06Å; I2069-L2073 HydrophobicContact CG2-CD1 3.98Å; I2069-L2073 WeakPolarHBondContact O-CB 3.29Å; I2069-L2073 PolarHBondContact O-N 3.36Å |
| 2070 | A | 56.5 | Low | 56 | Low | 55 Ų | 55 | 72 Ų | 72 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | V2066 S2067 V2074 | V2066-A2070 WeakPolarHBondContact O-CB 3.39Å; V2066-A2070 PolarHBondContact O-N 3.27Å; S2067-A2070 PolarHBondContact O-N 3.35Å; A2070-V2074 WeakPolarHBondContact O-CG2 3.11Å; A2070-V2074 PolarHBondContact O-N 3.19Å |
| 2071 | R | 59.3 | Low | 56 | Low | 178 Ų | 178 | 67.6 Ų | 67.6 | 67% | 0.672 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.1 | -37.8 | 174 | -77.5 | 179.1 | 174.2 | 176.9 | -0.3 | 112.5 | N2052 S2067 G2068 I2069 G2075 | N2052-R2071 HydrophobicContact CB-CB 4.18Å; N2052-R2071 PolarHBondContact ND2-O 3.09Å; S2067-R2071 WeakPolarHBondContact O-CG 3.27Å; S2067-R2071 PolarHBondContact O-N 3.26Å; G2068-R2071 PolarHBondContact O-N 2.7Å; I2069-R2071 PolarHBondContact O-N 3.44Å; R2071-G2075 PolarHBondContact O-N 2.82Å |
| 2072 | G | 57.7 | Low | 55.7 | Low | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S2048 G2068 I2069 V2074 G2075 T2076 | S2048-G2072 WeakPolarHBondContact O-CA 3.46Å; S2048-G2072 PolarHBondContact OG-O 2.96Å; G2068-G2072 PolarHBondContact O-N 3.24Å; I2069-G2072 PolarHBondContact O-N 3.06Å; G2072-V2074 PolarHBondContact O-N 3.31Å; G2072-G2075 PolarHBondContact O-N 3.15Å; G2072-T2076 WeakPolarHBondContact O-CB 3.49Å; G2072-T2076 PolarHBondContact O-N 3Å; G2072-T2076 PolarHBondContact O-OG1 2.71Å |
| 2073 | L | 54.8 | Low | 54.9 | Low | 98 Ų | 98 | 65.5 Ų | 65.5 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 173.6 | -95.4 | 157.8 | 0 | 0 | 0 | 111.6 | L2049 I2069 T2076 V2077 | L2049-L2073 HydrophobicContact CD2-CG 4.44Å; I2069-L2073 HydrophobicContact CG2-CD1 3.98Å; I2069-L2073 WeakPolarHBondContact O-CB 3.29Å; I2069-L2073 PolarHBondContact O-N 3.36Å; L2073-T2076 PolarHBondContact O-N 3.24Å; L2073-V2077 PolarHBondContact O-N 2.79Å |
| 2074 | V | 51.6 | Low | 54.4 | Low | 92 Ų | 92 | 62.2 Ų | 62.2 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.7 | -46.9 | 174.2 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | A2070 G2072 T2076 V2077 T2078 | A2070-V2074 WeakPolarHBondContact O-CG2 3.11Å; A2070-V2074 PolarHBondContact O-N 3.19Å; G2072-V2074 PolarHBondContact O-N 3.31Å; V2074-T2076 VanDerWaalsContact C-N 3.28Å; V2074-T2076 PolarHBondContact O-N 3.29Å; V2074-V2077 PolarHBondContact O-N 2.69Å; V2074-T2078 HydrophobicContact CG1-CG2 3.96Å; V2074-T2078 WeakPolarHBondContact O-CG2 3.4Å; V2074-T2078 PolarHBondContact O-N 3.07Å; V2074-T2078 PolarHBondContact O-OG1 2.75Å; V2074-T2078 VanDerWaalsContact O-OG1 3.07Å |
| 2075 | G | 46.7 | Very low | 53.7 | Low | 6 Ų | 6 | 65.6 Ų | 65.6 | 6% | 0.062 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.4 | -31.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | S2048 R2071 G2072 V2077 K2079 | S2048-G2075 WeakPolarHBondContact OG-CA 3.48Å; R2071-G2075 PolarHBondContact O-N 2.82Å; G2072-G2075 PolarHBondContact O-N 3.15Å; G2075-V2077 VanDerWaalsContact C-N 3.29Å; G2075-V2077 PolarHBondContact O-N 2.83Å; G2075-K2079 VanDerWaalsContact O-CB 3.28Å; G2075-K2079 WeakPolarHBondContact O-CB 3.47Å; G2075-K2079 WeakPolarHBondContact O-CG 3.27Å; G2075-K2079 PolarHBondContact O-N 3.05Å |
| 2076 | T | 52.5 | Low | 53 | Low | 44 Ų | 44 | 63.8 Ų | 63.8 | 27% | 0.27 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.2 | -29.1 | 179.6 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | G2045 S2048 L2049 G2072 L2073 V2074 P2080 | G2045-T2076 PolarHBondContact O-OG1 3.47Å; S2048-T2076 PolarHBondContact OG-N 2.77Å; S2048-T2076 VanDerWaalsContact OG-N 3.09Å; S2048-T2076 PolarHBondContact OG-OG1 2.88Å; L2049-T2076 HydrophobicContact CD1-CG2 3.93Å; L2049-T2076 VanDerWaalsContact CD1-OG1 3.24Å; L2049-T2076 WeakPolarHBondContact CD1-OG1 2.89Å; L2049-T2076 VanDerWaalsContact CG-OG1 3.25Å; L2049-T2076 WeakPolarHBondContact CG-OG1 3.38Å; G2072-T2076 WeakPolarHBondContact O-CB 3.49Å; G2072-T2076 PolarHBondContact O-N 3Å; G2072-T2076 PolarHBondContact O-OG1 2.71Å; L2073-T2076 PolarHBondContact O-N 3.24Å; V2074-T2076 VanDerWaalsContact C-N 3.28Å; V2074-T2076 PolarHBondContact O-N 3.29Å; T2076-P2080 WeakPolarHBondContact O-CD 3.43Å; T2076-P2080 WeakPolarHBondContact O-CG 3.34Å |
| 2077 | V | 49.8 | Very low | 51.7 | Low | 98 Ų | 98 | 62 Ų | 62 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -89 | -43.3 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | L2073 V2074 G2075 V2081 | L2073-V2077 PolarHBondContact O-N 2.79Å; V2074-V2077 PolarHBondContact O-N 2.69Å; G2075-V2077 VanDerWaalsContact C-N 3.29Å; G2075-V2077 PolarHBondContact O-N 2.83Å; V2077-V2081 WeakPolarHBondContact O-CG2 3.27Å |
| 2078 | T | 49.4 | Very low | 50.6 | Low | 63 Ų | 63 | 61.2 Ų | 61.2 | 39% | 0.387 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -77.2 | -36.8 | -171.2 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | V2074 V2081 Q2082 | V2074-T2078 HydrophobicContact CG1-CG2 3.96Å; V2074-T2078 WeakPolarHBondContact O-CG2 3.4Å; V2074-T2078 PolarHBondContact O-N 3.07Å; V2074-T2078 PolarHBondContact O-OG1 2.75Å; V2074-T2078 VanDerWaalsContact O-OG1 3.07Å; T2078-V2081 PolarHBondContact O-N 2.82Å; T2078-Q2082 WeakPolarHBondContact O-CG 3Å; T2078-Q2082 PolarHBondContact O-N 3.31Å |
| 2079 | K | 45 | Very low | 49.6 | Very low | 67 Ų | 67 | 64.5 Ų | 64.5 | 29% | 0.291 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -72.4 | -40.1 | -176.2 | -65.4 | 179.7 | 177.7 | -176.1 | 0 | 114 | G2041 G2044 G2075 V2081 Q2082 G2083 | G2041-K2079 CarbonylContact C-O 3.51Å; G2041-K2079 WeakPolarHBondContact CA-O 3.49Å; G2041-K2079 CarbonylContact O-C 3.53Å; G2041-K2079 VanDerWaalsContact O-C 3.28Å; G2041-K2079 WeakPolarHBondContact O-CB 3.39Å; G2044-K2079 VanDerWaalsContact C-CD 3.4Å; G2044-K2079 WeakPolarHBondContact O-CD 3.36Å; G2044-K2079 PolarHBondContact O-NZ 2.9Å; G2075-K2079 VanDerWaalsContact O-CB 3.28Å; G2075-K2079 WeakPolarHBondContact O-CB 3.47Å; G2075-K2079 WeakPolarHBondContact O-CG 3.27Å; G2075-K2079 PolarHBondContact O-N 3.05Å; K2079-V2081 VanDerWaalsContact C-N 3.29Å; K2079-V2081 PolarHBondContact O-N 2.93Å; K2079-Q2082 WeakPolarHBondContact O-CB 3.43Å; K2079-Q2082 PolarHBondContact O-N 3.38Å; K2079-G2083 PolarHBondContact O-N 3.39Å |
| 2080 | P | 44.1 | Very low | 48.7 | Very low | 32 Ų | 32 | 61.3 Ų | 61.3 | 21% | 0.208 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 171.3 | -23.9 | 36.2 | 0 | 0 | 0 | 112.1 | T2076 G2083 I2084 | T2076-P2080 WeakPolarHBondContact O-CD 3.43Å; T2076-P2080 WeakPolarHBondContact O-CG 3.34Å; P2080-G2083 PolarHBondContact O-N 3.45Å; P2080-I2084 WeakPolarHBondContact O-CG1 3.38Å; P2080-I2084 PolarHBondContact O-N 3.45Å |
| 2081 | V | 50.9 | Low | 48 | Very low | 74 Ų | 74 | 60.6 Ų | 60.6 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 175.4 | 170.9 | 0 | 0 | 0 | 0 | 111 | V2077 T2078 K2079 G2083 I2084 L2085 | V2077-V2081 WeakPolarHBondContact O-CG2 3.27Å; T2078-V2081 PolarHBondContact O-N 2.82Å; K2079-V2081 VanDerWaalsContact C-N 3.29Å; K2079-V2081 PolarHBondContact O-N 2.93Å; V2081-G2083 VanDerWaalsContact C-N 3.35Å; V2081-G2083 PolarHBondContact O-N 3.43Å; V2081-I2084 PolarHBondContact O-N 2.92Å; V2081-L2085 HydrophobicContact CG1-CD1 3.93Å; V2081-L2085 WeakPolarHBondContact O-CB 3.46Å; V2081-L2085 WeakPolarHBondContact O-CD1 3.24Å; V2081-L2085 PolarHBondContact O-N 2.95Å |
| 2082 | Q | 47.8 | Very low | 47 | Very low | 113 Ų | 113 | 54 Ų | 54 | 53% | 0.528 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 172 | -76.2 | 176.1 | -2.9 | 0 | 0 | 111.9 | T2078 K2079 I2084 L2085 S2086 | T2078-Q2082 WeakPolarHBondContact O-CG 3Å; T2078-Q2082 PolarHBondContact O-N 3.31Å; K2079-Q2082 WeakPolarHBondContact O-CB 3.43Å; K2079-Q2082 PolarHBondContact O-N 3.38Å; Q2082-I2084 PolarHBondContact O-N 2.91Å; Q2082-L2085 WeakPolarHBondContact O-CB 3.36Å; Q2082-L2085 PolarHBondContact O-N 3.47Å; Q2082-S2086 PolarHBondContact O-N 3.4Å; Q2082-S2086 PolarHBondContact O-OG 3.41Å |
| 2083 | G | 46 | Very low | 46.4 | Very low | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | F2038 K2079 P2080 V2081 L2085 S2086 L2087 | F2038-G2083 WeakPolarHBondContact CA-O 3.35Å; F2038-G2083 WeakPolarHBondContact CB-O 3.49Å; K2079-G2083 PolarHBondContact O-N 3.39Å; P2080-G2083 PolarHBondContact O-N 3.45Å; V2081-G2083 VanDerWaalsContact C-N 3.35Å; V2081-G2083 PolarHBondContact O-N 3.43Å; G2083-L2085 VanDerWaalsContact C-N 3.35Å; G2083-S2086 PolarHBondContact O-N 3.04Å; G2083-L2087 PolarHBondContact O-N 2.93Å; G2083-L2087 VanDerWaalsContact O-N 3.12Å |
| 2084 | I | 46.8 | Very low | 45.7 | Very low | 100 Ų | 100 | 53.1 Ų | 53.1 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 178.5 | -66.5 | 166.5 | 0 | 0 | 0 | 110.7 | F2038 P2080 V2081 Q2082 L2087 A2088 | F2038-I2084 HydrophobicContact CD2-CG1 4.04Å; F2038-I2084 HydrophobicContact CE2-CG1 3.66Å; P2080-I2084 WeakPolarHBondContact O-CG1 3.38Å; P2080-I2084 PolarHBondContact O-N 3.45Å; V2081-I2084 PolarHBondContact O-N 2.92Å; Q2082-I2084 PolarHBondContact O-N 2.91Å; I2084-L2087 PolarHBondContact O-N 2.98Å; I2084-A2088 WeakPolarHBondContact O-CB 3.41Å; I2084-A2088 PolarHBondContact O-N 2.89Å |
| 2085 | L | 43.7 | Very low | 45.1 | Very low | 71 Ų | 71 | 50.7 Ų | 50.7 | 37% | 0.372 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 175.5 | -88.4 | 154.2 | 0 | 0 | 0 | 112 | V2081 Q2082 G2083 A2088 S2089 | V2081-L2085 HydrophobicContact CG1-CD1 3.93Å; V2081-L2085 WeakPolarHBondContact O-CB 3.46Å; V2081-L2085 WeakPolarHBondContact O-CD1 3.24Å; V2081-L2085 PolarHBondContact O-N 2.95Å; Q2082-L2085 WeakPolarHBondContact O-CB 3.36Å; Q2082-L2085 PolarHBondContact O-N 3.47Å; G2083-L2085 VanDerWaalsContact C-N 3.35Å; L2085-A2088 PolarHBondContact O-N 3.19Å; L2085-S2089 PolarHBondContact O-N 2.92Å |
| 2086 | S | 48.9 | Very low | 44.8 | Very low | 35 Ų | 35 | 58.4 Ų | 58.4 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 178.1 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | G2034 D2037 Q2082 G2083 A2088 S2089 G2090 | G2034-S2086 WeakPolarHBondContact CA-O 3.08Å; D2037-S2086 VanDerWaalsContact CB-CB 3.41Å; Q2082-S2086 PolarHBondContact O-N 3.4Å; Q2082-S2086 PolarHBondContact O-OG 3.41Å; G2083-S2086 PolarHBondContact O-N 3.04Å; S2086-A2088 PolarHBondContact O-N 3.29Å; S2086-S2089 PolarHBondContact O-N 2.92Å; S2086-S2089 PolarHBondContact O-OG 3.27Å; S2086-G2090 PolarHBondContact O-N 2.94Å; S2086-G2090 VanDerWaalsContact O-N 3.1Å |
| 2087 | L | 42 | Very low | 44.3 | Very low | 58 Ų | 58 | 61.4 Ų | 61.4 | 30% | 0.304 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 175.4 | -158.8 | 133.5 | 0 | 0 | 0 | 112.2 | G2034 M2035 F2038 G2083 I2084 S2089 G2090 A2091 | G2034-L2087 WeakPolarHBondContact O-CA 3.37Å; G2034-L2087 PolarHBondContact O-N 2.68Å; M2035-L2087 HydrophobicContact CB-CD1 4.47Å; M2035-L2087 HydrophobicContact CG-CD1 3.93Å; F2038-L2087 HydrophobicContact CB-CB 4.06Å; F2038-L2087 HydrophobicContact CB-CD1 3.48Å; F2038-L2087 VanDerWaalsContact CB-CD1 3.48Å; F2038-L2087 HydrophobicContact CB-CG 4.39Å; F2038-L2087 HydrophobicContact CD1-CD1 3.77Å; F2038-L2087 HydrophobicContact CD2-CD1 4.33Å; F2038-L2087 HydrophobicContact CG-CD1 3.6Å; G2083-L2087 PolarHBondContact O-N 2.93Å; G2083-L2087 VanDerWaalsContact O-N 3.12Å; I2084-L2087 PolarHBondContact O-N 2.98Å; L2087-S2089 VanDerWaalsContact C-N 3.34Å; L2087-G2090 PolarHBondContact O-N 3.18Å; L2087-A2091 PolarHBondContact O-N 3.43Å; L2087-A2091 VanDerWaalsContact O-N 3.14Å |
| 2088 | A | 41.8 | Very low | 43.7 | Very low | 29 Ų | 29 | 59.9 Ų | 59.9 | 24% | 0.24 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I2084 L2085 S2086 A2092 | I2084-A2088 WeakPolarHBondContact O-CB 3.41Å; I2084-A2088 PolarHBondContact O-N 2.89Å; L2085-A2088 PolarHBondContact O-N 3.19Å; S2086-A2088 PolarHBondContact O-N 3.29Å; A2088-A2092 VanDerWaalsContact O-CB 3.31Å; A2088-A2092 WeakPolarHBondContact O-CB 3.29Å; A2088-A2092 PolarHBondContact O-N 3.09Å |
| 2089 | S | 44.4 | Very low | 43.2 | Very low | 71 Ų | 71 | 61.5 Ų | 61.5 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 177 | 83.6 | 0 | 0 | 0 | 0 | 112.2 | L2085 S2086 L2087 A2091 A2092 T2093 | L2085-S2089 PolarHBondContact O-N 2.92Å; S2086-S2089 PolarHBondContact O-N 2.92Å; S2086-S2089 PolarHBondContact O-OG 3.27Å; L2087-S2089 VanDerWaalsContact C-N 3.34Å; S2089-A2091 PolarHBondContact O-N 3.32Å; S2089-A2092 PolarHBondContact O-N 2.76Å; S2089-T2093 PolarHBondContact O-N 2.77Å; S2089-T2093 PolarHBondContact O-OG1 3.3Å |
| 2090 | G | 43.3 | Very low | 42.9 | Very low | 3 Ų | 3 | 62.7 Ų | 62.7 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H2030 S2086 L2087 T2093 A2094 | H2030-G2090 WeakPolarHBondContact O-CA 3.47Å; S2086-G2090 PolarHBondContact O-N 2.94Å; S2086-G2090 VanDerWaalsContact O-N 3.1Å; L2087-G2090 PolarHBondContact O-N 3.18Å; G2090-T2093 PolarHBondContact O-OG1 2.85Å; G2090-A2094 PolarHBondContact O-N 2.96Å |
| 2091 | A | 41 | Very low | 42.5 | Very low | 39 Ų | 39 | 69.8 Ų | 69.8 | 32% | 0.322 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.7 | -33 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2031 L2087 S2089 A2095 | L2031-A2091 HydrophobicContact CD1-CB 3.88Å; L2087-A2091 PolarHBondContact O-N 3.43Å; L2087-A2091 VanDerWaalsContact O-N 3.14Å; S2089-A2091 PolarHBondContact O-N 3.32Å; A2091-A2095 PolarHBondContact O-N 2.69Å |
| 2092 | A | 39.5 | Very low | 41.6 | Very low | 40 Ų | 40 | 73 Ų | 73 | 33% | 0.331 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.7 | -42.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A2088 S2089 A2095 K2096 | A2088-A2092 VanDerWaalsContact O-CB 3.31Å; A2088-A2092 WeakPolarHBondContact O-CB 3.29Å; A2088-A2092 PolarHBondContact O-N 3.09Å; S2089-A2092 PolarHBondContact O-N 2.76Å; A2092-A2095 PolarHBondContact O-N 2.85Å; A2092-K2096 PolarHBondContact O-N 2.48Å |
| 2093 | T | 44.1 | Very low | 41.3 | Very low | 60 Ų | 60 | 71.2 Ų | 71.2 | 37% | 0.368 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.5 | -40.1 | 176.2 | 45.9 | 0 | 0 | 0 | 0 | 112 | H2030 S2089 G2090 A2095 K2096 E2097 | H2030-T2093 WeakPolarHBondContact CB-OG1 3.45Å; S2089-T2093 PolarHBondContact O-N 2.77Å; S2089-T2093 PolarHBondContact O-OG1 3.3Å; G2090-T2093 PolarHBondContact O-OG1 2.85Å; T2093-A2095 VanDerWaalsContact C-N 3.28Å; T2093-A2095 PolarHBondContact O-N 2.75Å; T2093-K2096 PolarHBondContact O-N 3.03Å; T2093-E2097 PolarHBondContact O-N 3.15Å |
| 2094 | A | 39.8 | Very low | 41.1 | Very low | 20 Ų | 20 | 76.6 Ų | 76.6 | 17% | 0.165 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -58.4 | -36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | A2027 G2090 | A2027-A2094 HydrophobicContact CB-CB 4.08Å; A2027-A2094 VanDerWaalsContact O-CB 3.3Å; A2027-A2094 WeakPolarHBondContact O-CB 3.47Å; G2090-A2094 PolarHBondContact O-N 2.96Å |
| 2095 | A | 40.2 | Very low | 41.1 | Very low | 41 Ų | 41 | 74.1 Ų | 74.1 | 34% | 0.339 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -77.8 | -35.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A2091 A2092 T2093 E2097 A2098 V2099 | A2091-A2095 PolarHBondContact O-N 2.69Å; A2092-A2095 PolarHBondContact O-N 2.85Å; T2093-A2095 VanDerWaalsContact C-N 3.28Å; T2093-A2095 PolarHBondContact O-N 2.75Å; A2095-E2097 VanDerWaalsContact C-N 3.28Å; A2095-E2097 PolarHBondContact O-N 2.85Å; A2095-A2098 WeakPolarHBondContact O-CB 3.48Å; A2095-A2098 PolarHBondContact O-N 3.04Å; A2095-A2098 VanDerWaalsContact O-N 3.08Å; A2095-V2099 PolarHBondContact O-N 3.26Å; A2095-V2099 VanDerWaalsContact O-N 3.17Å |
| 2096 | K | 39.8 | Very low | 41.2 | Very low | 167 Ų | 167 | 78.8 Ų | 78.8 | 73% | 0.726 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.6 | -40.6 | 176.2 | -173.8 | -177.1 | 178 | -176.9 | 0 | 111.5 | A2092 T2093 A2098 S2100 | A2092-K2096 PolarHBondContact O-N 2.48Å; T2093-K2096 PolarHBondContact O-N 3.03Å; K2096-A2098 VanDerWaalsContact C-N 3.33Å; K2096-A2098 PolarHBondContact O-N 3.25Å; K2096-S2100 PolarHBondContact O-N 2.82Å |
| 2097 | E | 41.2 | Very low | 41.3 | Very low | 107 Ų | 107 | 81.5 Ų | 81.5 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.8 | -28 | 175.4 | -82.4 | -170.6 | 147.3 | 0 | 0 | 113.5 | T2093 A2095 | T2093-E2097 PolarHBondContact O-N 3.15Å; A2095-E2097 VanDerWaalsContact C-N 3.28Å; A2095-E2097 PolarHBondContact O-N 2.85Å |
| 2098 | A | 37.1 | Very low | 41.8 | Very low | 67 Ų | 67 | 83.7 Ų | 83.7 | 55% | 0.554 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -73.6 | -38.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A2095 K2096 | A2095-A2098 WeakPolarHBondContact O-CB 3.48Å; A2095-A2098 PolarHBondContact O-N 3.04Å; A2095-A2098 VanDerWaalsContact O-N 3.08Å; K2096-A2098 VanDerWaalsContact C-N 3.33Å; K2096-A2098 PolarHBondContact O-N 3.25Å |
| 2099 | V | 39.3 | Very low | 42.6 | Very low | 97 Ų | 97 | 84.7 Ų | 84.7 | 59% | 0.588 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -81.8 | -29.9 | -176.3 | -178.7 | 0 | 0 | 0 | 0 | 112.5 | A2095 K2101 N2102 | A2095-V2099 PolarHBondContact O-N 3.26Å; A2095-V2099 VanDerWaalsContact O-N 3.17Å; V2099-K2101 PolarHBondContact O-N 2.7Å; V2099-N2102 PolarHBondContact O-N 2.73Å |
| 2100 | S | 40.2 | Very low | 43.1 | Very low | 91 Ų | 91 | 83.7 Ų | 83.7 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -15.4 | 175.9 | -177.3 | 0 | 0 | 0 | 0 | 114 | K2096 | K2096-S2100 PolarHBondContact O-N 2.82Š|
| 2101 | K | 34.8 | Very low | 43.8 | Very low | 182 Ų | 182 | 89 Ų | 89 | 79% | 0.791 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -8.7 | 177.7 | -75 | -174.8 | 176.3 | 176.7 | 0 | 115.1 | V2099 | V2099-K2101 PolarHBondContact O-N 2.7Š|
| 2102 | N | 32.5 | Very low | 44.9 | Very low | 140 Ų | 140 | 94.6 Ų | 94.6 | 75% | 0.749 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -131 | 86.6 | -174.2 | -70.3 | -21.9 | 0 | 0 | 0 | 114.2 | V2099 | V2099-N2102 PolarHBondContact O-N 2.73Š|
| 2103 | A | 40.7 | Very low | 46.6 | Very low | 77 Ų | 77 | 95.7 Ų | 95.7 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | trans | 178.8 | 137.6 | 142.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L2105 | A2103-L2105 PolarHBondContact O-N 3.02Å; A2103-L2105 VanDerWaalsContact O-N 3.16Å | ||
| 2104 | P | 41.7 | Very low | 48.1 | Very low | 114 Ų | 114 | 94.7 Ų | 94.7 | 74% | 0.74 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -79.9 | 7.2 | -166.2 | -7.5 | 25.5 | 0 | 0 | 0 | 116.9 | Q2106 A2107 | P2104-Q2106 VanDerWaalsContact C-N 3.29Å; P2104-Q2106 PolarHBondContact O-N 3.43Å; P2104-A2107 WeakPolarHBondContact O-CB 3.35Å; P2104-A2107 PolarHBondContact O-N 3.17Å |
| 2105 | L | 46.3 | Very low | 50 | Low | 47 Ų | 47 | 94.2 Ų | 94.2 | 25% | 0.246 | 53% | 0.526 | C | S | . | . | G | 310 helix | trans | -74.5 | -12 | -174.7 | -78.4 | 178.8 | 0 | 0 | 0 | 115.1 | N1908 A2103 A2107 F2108 | N1908-L2105 HydrophobicContact CB-CD1 4.42Å; N1908-L2105 VanDerWaalsContact ND2-CD1 3.29Å; N1908-L2105 WeakPolarHBondContact ND2-CD1 3.18Å; N1908-L2105 WeakPolarHBondContact OD1-CD1 3.24Å; A2103-L2105 PolarHBondContact O-N 3.02Å; A2103-L2105 VanDerWaalsContact O-N 3.16Å; L2105-A2107 PolarHBondContact O-N 3.12Å; L2105-F2108 HydrophobicContact CD2-CD2 3.34Å; L2105-F2108 HydrophobicContact CD2-CE2 3.72Å; L2105-F2108 HydrophobicContact CD2-CG 4.12Å; L2105-F2108 PolarHBondContact O-N 3.08Å |
| 2106 | Q | 46.3 | Very low | 51.6 | Low | 170 Ų | 170 | 95 Ų | 95 | 79% | 0.794 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -55.9 | -21.9 | 168.4 | -89.8 | -178.2 | 2.3 | 0 | 0 | 112.5 | P2104 F2108 | P2104-Q2106 VanDerWaalsContact C-N 3.29Å; P2104-Q2106 PolarHBondContact O-N 3.43Å; Q2106-F2108 VanDerWaalsContact C-N 3.33Å; Q2106-F2108 PolarHBondContact O-N 3.36Å |
| 2107 | A | 50.9 | Low | 53.3 | Low | 91 Ų | 91 | 88.3 Ų | 88.3 | 75% | 0.752 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -71.4 | -21.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P2104 L2105 | P2104-A2107 WeakPolarHBondContact O-CB 3.35Å; P2104-A2107 PolarHBondContact O-N 3.17Å; L2105-A2107 PolarHBondContact O-N 3.12Å |
| 2108 | F | 53.9 | Low | 54.8 | Low | 104 Ų | 104 | 84.2 Ų | 84.2 | 46% | 0.456 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -26.2 | -175 | -72.2 | -88.5 | 0 | 0 | 0 | 113.6 | K1781 L2105 Q2106 | K1781-F2108 PolarHBondContact NZ-O 2.67Å; L2105-F2108 HydrophobicContact CD2-CD2 3.34Å; L2105-F2108 HydrophobicContact CD2-CE2 3.72Å; L2105-F2108 HydrophobicContact CD2-CG 4.12Å; L2105-F2108 PolarHBondContact O-N 3.08Å; Q2106-F2108 VanDerWaalsContact C-N 3.33Å; Q2106-F2108 PolarHBondContact O-N 3.36Å |
| 2109 | F | 58.6 | Low | 55.9 | Low | 50 Ų | 50 | 82 Ų | 82 | 22% | 0.219 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -83 | 131.2 | 173.7 | -63.9 | -76.3 | 0 | 0 | 0 | 108.6 | Q1778 V1823 Q1825 | Q1778-F2109 HydrophobicContact CB-CD1 3.8Å; Q1778-F2109 HydrophobicContact CB-CE1 4.12Å; Q1778-F2109 HydrophobicContact CG-CD1 4.19Å; V1823-F2109 HydrophobicContact CG1-CE1 4.39Å; V1823-F2109 HydrophobicContact CG1-CZ 3.69Å; Q1825-F2109 HydrophobicContact CG-CZ 4.3Å |
| 2110 | S | 54.8 | Low | 56.8 | Low | 51 Ų | 51 | 80.6 Ų | 80.6 | 36% | 0.357 | 45% | 0.45 | S | S | . | . | trans | -59.3 | 145.8 | 169.1 | 164 | 0 | 0 | 0 | 0 | 107.5 | W1777 Q1778 K2112 | W1777-S2110 WeakPolarHBondContact CH2-O 3.48Å; W1777-S2110 WeakPolarHBondContact CZ2-O 2.94Å; Q1778-S2110 VanDerWaalsContact NE2-N 3.15Å; S2110-K2112 PolarHBondContact O-N 3.33Å; S2110-K2112 PolarHBondContact OG-N 2.81Å; S2110-K2112 VanDerWaalsContact OG-N 3.07Å; S2110-K2112 PolarHBondContact OG-O 3.06Å | ||
| 2111 | S | 56.5 | Low | 57.5 | Low | 113 Ų | 113 | 77.6 Ų | 77.6 | 79% | 0.79 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -72.5 | -10.4 | 173.6 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | ||
| 2112 | K | 64.8 | Low | 58.6 | Low | 157 Ų | 157 | 70.9 Ų | 70.9 | 68% | 0.683 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -132 | 134.5 | -174.5 | -61 | -177.7 | -177.5 | 179 | 0 | 112.4 | W1777 S2110 | W1777-K2112 WeakPolarHBondContact CH2-O 3.34Å; W1777-K2112 VanDerWaalsContact CZ2-C 3.41Å; W1777-K2112 WeakPolarHBondContact CZ3-O 3.46Å; S2110-K2112 PolarHBondContact O-N 3.33Å; S2110-K2112 PolarHBondContact OG-N 2.81Å; S2110-K2112 VanDerWaalsContact OG-N 3.07Å; S2110-K2112 PolarHBondContact OG-O 3.06Å |
| 2113 | R | 74.6 | Confident | 59.7 | Low | 63 Ų | 63 | 64.5 Ų | 64.5 | 24% | 0.238 | 37% | 0.366 | C | S | . | . | trans | -54.9 | 142.9 | 171.5 | -162.9 | -175 | -79.2 | -163.9 | -6.1 | 111 | D1768 W1777 R2115 | D1768-R2113 WeakPolarHBondContact OD2-CG 3.47Å; W1777-R2113 HydrophobicContact CB-CG 4.4Å; W1777-R2113 HydrophobicContact CD2-CB 3.96Å; W1777-R2113 HydrophobicContact CD2-CG 4.2Å; W1777-R2113 VanDerWaalsContact CE3-CA 3.47Å; W1777-R2113 HydrophobicContact CE3-CB 3.85Å; W1777-R2113 HydrophobicContact CE3-CG 3.88Å; W1777-R2113 HydrophobicContact CG-CB 4.35Å; W1777-R2113 HydrophobicContact CG-CG 4.4Å; W1777-R2113 HydrophobicContact CZ3-CB 4.24Å; R2113-R2115 VanDerWaalsContact C-N 3.28Å; R2113-R2115 WeakPolarHBondContact CD-O 3.48Å; R2113-R2115 VanDerWaalsContact CG-O 3.24Å; R2113-R2115 WeakPolarHBondContact CG-O 3.45Å; R2113-R2115 PolarHBondContact O-N 3.44Å | ||
| 2114 | L | 75.5 | Confident | 60.4 | Low | 40 Ų | 40 | 62.4 Ų | 62.4 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -58.9 | -43.7 | -179.1 | -72.2 | 168.9 | 0 | 0 | 0 | 111.7 | Y1739 R1741 Q1766 D1768 | Y1739-L2114 HydrophobicContact CD1-CD1 4.25Å; Y1739-L2114 HydrophobicContact CE1-CB 4.45Å; Y1739-L2114 HydrophobicContact CE1-CD1 4.34Å; R1741-L2114 HydrophobicContact CB-CD1 3.77Å; R1741-L2114 VanDerWaalsContact CZ-CD2 3.48Å; R1741-L2114 VanDerWaalsContact NH1-CD2 3.27Å; Q1766-L2114 HydrophobicContact CB-CD1 4.05Å; Q1766-L2114 HydrophobicContact CG-CD1 3.74Å; Q1766-L2114 HydrophobicContact CG-CG 4.37Å; Q1766-L2114 VanDerWaalsContact NE2-CG 3.34Å; D1768-L2114 WeakPolarHBondContact OD2-CB 3.4Å; D1768-L2114 WeakPolarHBondContact OD2-CG 3.19Å; D1768-L2114 PolarHBondContact OD2-N 2.69Å |
| 2115 | R | 80.4 | Confident | 61.3 | Low | 10 Ų | 10 | 59.8 Ų | 59.8 | 4% | 0.038 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -148.8 | 144.4 | 171.5 | 73.1 | -179.4 | -166.4 | 167.1 | 4.1 | 110.2 | E786 E1736 Y1739 R2113 Y2130 | E786-R2115 IonicContact OE1-NH1 3.99Å; E786-R2115 PolarHBondContact OE1-NH1 2.76Å; E786-R2115 IonicContact OE2-CZ 3.76Å; E786-R2115 IonicContact OE2-NH1 3.8Å; E786-R2115 PolarHBondContact OE2-NH1 3.18Å; E1736-R2115 IonicContact OE1-CZ 2.8Å; E1736-R2115 IonicContact OE1-NE 2.9Å; E1736-R2115 IonicContact OE1-NH2 3.75Å; E1736-R2115 PolarHBondContact OE1-NH2 3.31Å; Y1739-R2115 HydrophobicContact CD1-CG 4.3Å; Y1739-R2115 HydrophobicContact CE1-CG 4.37Å; Y1739-R2115 VanDerWaalsContact CE2-CZ 3.45Å; R2113-R2115 VanDerWaalsContact C-N 3.28Å; R2113-R2115 WeakPolarHBondContact CD-O 3.48Å; R2113-R2115 VanDerWaalsContact CG-O 3.24Å; R2113-R2115 WeakPolarHBondContact CG-O 3.45Å; R2113-R2115 PolarHBondContact O-N 3.44Å; R2115-Y2130 HydrophobicContact CB-CE2 4.49Å; R2115-Y2130 HydrophobicContact CG-CE2 4.27Å |
| 2116 | P | 74.3 | Confident | 62.2 | Low | 57 Ų | 57 | 57.8 Ų | 57.8 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 154.3 | 169.8 | 25.3 | -32.7 | 0 | 0 | 0 | 111 | Y2130 V2135 | P2116-Y2130 WeakPolarHBondContact CD-OH 3.47Å; P2116-V2135 HydrophobicContact CB-CG1 3.53Å; P2116-V2135 HydrophobicContact CG-CB 4.15Å; P2116-V2135 HydrophobicContact CG-CG1 3.46Å; P2116-V2135 VanDerWaalsContact CG-CG1 3.46Å |
| 2117 | S | 74 | Confident | 63.4 | Low | 27 Ų | 27 | 50 Ų | 50 | 19% | 0.189 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 138.1 | -179.9 | 49.7 | 0 | 0 | 0 | 0 | 110.8 | Q1770 V2135 | Q1770-S2117 WeakPolarHBondContact O-CB 3.15Å; S2117-V2135 WeakPolarHBondContact O-CG1 3.4Å |
| 2118 | R | 73.8 | Confident | 64.2 | Low | 21 Ų | 21 | 47 Ų | 47 | 8% | 0.079 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -53.9 | 128.3 | 174.8 | -166.9 | 177.8 | -61.8 | -153.9 | 4.4 | 109.9 | E756 T788 E1736 S2128 Y2130 | E756-R2118 IonicContact OE1-CZ 3.57Å; E756-R2118 IonicContact OE1-NH1 3.84Å; E756-R2118 PolarHBondContact OE1-NH1 2.7Å; E756-R2118 IonicContact OE1-NH2 2.67Å; E756-R2118 PolarHBondContact OE1-NH2 3.41Å; E756-R2118 IonicContact OE2-NH2 3.79Å; T788-R2118 PolarHBondContact OG1-NH2 3.2Å; E1736-R2118 WeakPolarHBondContact OE2-CB 3.5Å; E1736-R2118 PolarHBondContact OE2-N 3Å; R2118-S2128 WeakPolarHBondContact CD-O 3.12Å; R2118-S2128 PolarHBondContact NH1-O 2.85Å; R2118-Y2130 HydrophobicContact CB-CD2 4.38Å; R2118-Y2130 HydrophobicContact CG-CD2 4.47Å |
| 2119 | P | 60.1 | Low | 65.2 | Low | 21 Ų | 21 | 46.5 Ų | 46.5 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 144.5 | 173.7 | 22.4 | -29.9 | 0 | 0 | 0 | 109.6 | V2135 A2138 | P2119-V2135 HydrophobicContact CG-CG2 4.14Å; P2119-A2138 HydrophobicContact CB-CB 4.17Å |
| 2120 | M | 57.4 | Low | 66 | Low | 67 Ų | 67 | 45.6 Ų | 45.6 | 33% | 0.33 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -59.1 | 139.5 | -177.9 | -99.3 | -171.8 | 172.5 | 0 | 0 | 111.2 | E1735 | E1735-M2120 HydrophobicContact CG-CE 3.87Š|
| 2121 | V | 54.4 | Low | 66.8 | Low | 28 Ų | 28 | 45 Ų | 45 | 17% | 0.17 | 24% | 0.236 | C | C | . | . | trans | 43.5 | 119.8 | 152.9 | -168.1 | 0 | 0 | 0 | 0 | 117.3 | N1734 L2125 A2157 | N1734-V2121 HydrophobicContact CB-CG2 4.08Å; V2121-L2125 HydrophobicContact CG1-CB 4.19Å; V2121-L2125 HydrophobicContact CG1-CD2 3.68Å; V2121-A2157 VanDerWaalsContact O-CA 3.26Å; V2121-A2157 WeakPolarHBondContact O-CA 3.25Å; V2121-A2157 WeakPolarHBondContact O-CB 3.43Å | ||
| 2122 | N | 58.4 | Low | 67.5 | Low | 40 Ų | 40 | 47.6 Ų | 47.6 | 21% | 0.214 | 23% | 0.229 | C | C | . | . | trans | -69.8 | 165.4 | 168.1 | -164.2 | -8.1 | 0 | 0 | 0 | 110.8 | N2124 L2125 T2126 V2158 | N2122-N2124 PolarHBondContact O-N 2.94Å; N2122-L2125 WeakPolarHBondContact O-CA 3.42Å; N2122-L2125 PolarHBondContact O-N 3.31Å; N2122-T2126 PolarHBondContact N-O 3.39Å; N2122-T2126 VanDerWaalsContact N-O 3.1Å; N2122-V2158 PolarHBondContact OD1-O 3.13Å | ||
| 2123 | F | 56.6 | Low | 67.5 | Low | 7 Ų | 7 | 42.8 Ų | 42.8 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -20.7 | 175.6 | -82.7 | -89.3 | 0 | 0 | 0 | 114.2 | L2125 A2157 L2159 F2171 A2173 Q2244 T2247 I2248 | F2123-L2125 PolarHBondContact O-N 3.33Å; F2123-A2157 HydrophobicContact CD1-CB 4.24Å; F2123-A2157 HydrophobicContact CD2-CB 3.67Å; F2123-A2157 HydrophobicContact CE1-CB 4.24Å; F2123-A2157 HydrophobicContact CE2-CB 3.66Å; F2123-A2157 HydrophobicContact CG-CB 3.97Å; F2123-A2157 HydrophobicContact CZ-CB 3.94Å; F2123-L2159 HydrophobicContact CB-CD1 4.09Å; F2123-L2159 HydrophobicContact CD2-CB 3.63Å; F2123-L2159 HydrophobicContact CD2-CD1 3.66Å; F2123-L2159 HydrophobicContact CD2-CG 4.29Å; F2123-L2159 HydrophobicContact CE2-CB 3.64Å; F2123-L2159 HydrophobicContact CE2-CD1 4.45Å; F2123-L2159 HydrophobicContact CG-CD1 4.07Å; F2123-F2171 HydrophobicContact CE1-CD1 4.29Å; F2123-F2171 HydrophobicContact CE1-CE1 4.02Å; F2123-F2171 AromaticContact CE2-CD1 3.9Å; F2123-F2171 HydrophobicContact CE2-CD1 3.9Å; F2123-F2171 HydrophobicContact CE2-CE1 4.42Å; F2123-F2171 AromaticContact CZ-CD1 3.42Å; F2123-F2171 HydrophobicContact CZ-CD1 3.42Å; F2123-F2171 VanDerWaalsContact CZ-CD1 3.42Å; F2123-F2171 AromaticContact CZ-CE1 3.51Å; F2123-F2171 HydrophobicContact CZ-CE1 3.51Å; F2123-A2173 HydrophobicContact CE1-CB 3.86Å; F2123-A2173 HydrophobicContact CZ-CB 3.52Å; F2123-Q2244 HydrophobicContact CB-CG 4.22Å; F2123-T2247 HydrophobicContact CD1-CG2 4.46Å; F2123-I2248 HydrophobicContact CE1-CG1 4.19Å |
| 2124 | N | 55.6 | Low | 67 | Low | 33 Ų | 33 | 40.8 Ų | 40.8 | 18% | 0.176 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 6.3 | 177.5 | -53.7 | 12.4 | 0 | 0 | 0 | 112.7 | N2122 T2126 Q2244 | N2122-N2124 PolarHBondContact O-N 2.94Å; N2124-T2126 PolarHBondContact O-N 3Å; N2124-T2126 VanDerWaalsContact O-N 3.15Å; N2124-Q2244 PolarHBondContact OD1-NE2 2.98Å |
| 2125 | L | 59.4 | Low | 66.5 | Low | 58 Ų | 58 | 39.2 Ų | 39.2 | 30% | 0.304 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 61.7 | 11.3 | -173.2 | -55.9 | 179.1 | 0 | 0 | 0 | 116 | F748 N1734 V2121 N2122 F2123 L2275 | F748-L2125 HydrophobicContact CD1-CB 3.86Å; F748-L2125 HydrophobicContact CE1-CB 3.9Å; N1734-L2125 PolarHBondContact ND2-O 3.18Å; V2121-L2125 HydrophobicContact CG1-CB 4.19Å; V2121-L2125 HydrophobicContact CG1-CD2 3.68Å; N2122-L2125 WeakPolarHBondContact O-CA 3.42Å; N2122-L2125 PolarHBondContact O-N 3.31Å; F2123-L2125 PolarHBondContact O-N 3.33Å; L2125-L2275 HydrophobicContact CD1-CD1 3.4Å; L2125-L2275 HydrophobicContact CD1-CG 4.1Å |
| 2126 | T | 65.5 | Low | 65.9 | Low | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -96.1 | 161.8 | 178.1 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | F748 A750 E752 N2122 N2124 S2128 | F748-T2126 HydrophobicContact CB-CG2 3.93Å; F748-T2126 HydrophobicContact CD2-CG2 4.24Å; F748-T2126 HydrophobicContact CG-CG2 4.3Å; A750-T2126 HydrophobicContact CB-CG2 3.5Å; E752-T2126 HydrophobicContact CG-CG2 3.89Å; N2122-T2126 PolarHBondContact N-O 3.39Å; N2122-T2126 VanDerWaalsContact N-O 3.1Å; N2124-T2126 PolarHBondContact O-N 3Å; N2124-T2126 VanDerWaalsContact O-N 3.15Å; T2126-S2128 PolarHBondContact O-N 3.32Å |
| 2127 | V | 72.4 | Confident | 65.2 | Low | 8 Ų | 8 | 40.4 Ų | 40.4 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | trans | -69.2 | 114.4 | 168.5 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | P753 T788 M790 V1730 N1734 | P753-V2127 WeakPolarHBondContact CD-O 3.39Å; T788-V2127 HydrophobicContact CG2-CG1 4.4Å; M790-V2127 HydrophobicContact CG-CG2 4.41Å; M790-V2127 HydrophobicContact SD-CB 3.99Å; M790-V2127 HydrophobicContact SD-CG2 3.85Å; V1730-V2127 HydrophobicContact CG1-CG2 3.97Å; N1734-V2127 HydrophobicContact CB-CG2 4.03Å | ||
| 2128 | S | 67.6 | Low | 64.6 | Low | 27 Ų | 27 | 39.4 Ų | 39.4 | 19% | 0.189 | 19% | 0.194 | C | C | . | . | trans | -76.3 | 151.9 | 174.8 | 55.2 | 0 | 0 | 0 | 0 | 111.7 | R2118 T2126 | R2118-S2128 WeakPolarHBondContact CD-O 3.12Å; R2118-S2128 PolarHBondContact NH1-O 2.85Å; T2126-S2128 PolarHBondContact O-N 3.32Å | ||
| 2129 | K | 73.7 | Confident | 64 | Low | 93 Ų | 93 | 40.7 Ų | 40.7 | 40% | 0.404 | 21% | 0.209 | S | C | . | . | trans | -48.8 | 140.8 | 166.1 | -175.7 | 172.6 | 173.2 | 167.3 | 0 | 109.9 | E756 E757 D2131 | E756-K2129 HydrophobicContact CB-CG 4.26Å; E756-K2129 HydrophobicContact CG-CG 4.23Å; E756-K2129 VanDerWaalsContact O-CE 3.27Å; E756-K2129 WeakPolarHBondContact O-CE 3.3Å; E756-K2129 PolarHBondContact O-NZ 2.94Å; E756-K2129 WeakPolarHBondContact OE2-CG 3.49Å; E757-K2129 IonicContact OE2-NZ 2.97Å; E757-K2129 PolarHBondContact OE2-NZ 3.06Å; K2129-D2131 PolarHBondContact O-N 3.46Å; K2129-D2131 VanDerWaalsContact O-N 3.09Å | ||
| 2130 | Y | 76.9 | Confident | 64.1 | Low | 31 Ų | 31 | 43.3 Ų | 43.3 | 12% | 0.122 | 22% | 0.219 | C | C | . | . | trans | -66.8 | 110.4 | 178.7 | -178.6 | -92.1 | 0 | 0 | 0 | 109.4 | E756 R2115 P2116 R2118 R2132 V2135 | E756-Y2130 WeakPolarHBondContact OE2-CB 3.44Å; E756-Y2130 PolarHBondContact OE2-N 2.8Å; R2115-Y2130 HydrophobicContact CB-CE2 4.49Å; R2115-Y2130 HydrophobicContact CG-CE2 4.27Å; P2116-Y2130 WeakPolarHBondContact CD-OH 3.47Å; R2118-Y2130 HydrophobicContact CB-CD2 4.38Å; R2118-Y2130 HydrophobicContact CG-CD2 4.47Å; Y2130-R2132 HydrophobicContact CE1-CB 4.23Å; Y2130-V2135 HydrophobicContact CD2-CG2 4.36Å; Y2130-V2135 HydrophobicContact CE2-CG2 3.72Å | ||
| 2131 | D | 70.6 | Confident | 64.1 | Low | 40 Ų | 40 | 41.3 Ų | 41.3 | 21% | 0.214 | 21% | 0.21 | C | C | . | . | trans | -113.9 | 113.4 | 174 | -174.7 | -17.8 | 0 | 0 | 0 | 108.6 | K2129 T2133 L2134 V2135 R2160 | K2129-D2131 PolarHBondContact O-N 3.46Å; K2129-D2131 VanDerWaalsContact O-N 3.09Å; D2131-T2133 PolarHBondContact O-N 3.3Å; D2131-T2133 WeakPolarHBondContact OD1-CB 3.34Å; D2131-T2133 PolarHBondContact OD1-N 3.42Å; D2131-T2133 PolarHBondContact OD1-OG1 2.96Å; D2131-T2133 PolarHBondContact OD2-OG1 3.46Å; D2131-L2134 HydrophobicContact CB-CB 4.25Å; D2131-L2134 HydrophobicContact CB-CD1 3.81Å; D2131-L2134 HydrophobicContact CB-CG 3.77Å; D2131-L2134 PolarHBondContact O-N 3.23Å; D2131-V2135 WeakPolarHBondContact O-CG2 3.46Å; D2131-V2135 PolarHBondContact O-N 3.3Å; D2131-R2160 IonicContact OD2-NH1 2.8Å; D2131-R2160 PolarHBondContact OD2-NH1 2.96Å | ||
| 2132 | R | 71 | Confident | 64.1 | Low | 166 Ų | 166 | 44.8 Ų | 44.8 | 63% | 0.626 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -58 | -34.2 | 179.7 | -175.3 | 174.4 | 175.8 | 166.9 | -0 | 112.1 | Y2130 V2135 E2136 | Y2130-R2132 HydrophobicContact CE1-CB 4.23Å; R2132-V2135 PolarHBondContact O-N 3.06Å; R2132-E2136 HydrophobicContact CG-CG 4.41Å; R2132-E2136 WeakPolarHBondContact CG-OE1 3.24Å; R2132-E2136 IonicContact CZ-OE1 2.9Å; R2132-E2136 IonicContact NE-OE1 3.99Å; R2132-E2136 PolarHBondContact NE-OE1 2.89Å; R2132-E2136 IonicContact NH2-OE1 3.78Å; R2132-E2136 WeakPolarHBondContact O-CG 3.38Å; R2132-E2136 PolarHBondContact O-N 3.46Å |
| 2133 | T | 64.5 | Low | 63.9 | Low | 57 Ų | 57 | 51.3 Ų | 51.3 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.7 | -43.7 | 179.6 | 66.5 | 0 | 0 | 0 | 0 | 111.1 | D2131 V2135 E2136 V2137 | D2131-T2133 PolarHBondContact O-N 3.3Å; D2131-T2133 WeakPolarHBondContact OD1-CB 3.34Å; D2131-T2133 PolarHBondContact OD1-N 3.42Å; D2131-T2133 PolarHBondContact OD1-OG1 2.96Å; D2131-T2133 PolarHBondContact OD2-OG1 3.46Å; T2133-V2135 VanDerWaalsContact C-N 3.3Å; T2133-V2135 PolarHBondContact O-N 3.37Å; T2133-E2136 PolarHBondContact O-N 2.91Å; T2133-V2137 WeakPolarHBondContact O-CB 3.41Å; T2133-V2137 WeakPolarHBondContact O-CG2 3.41Å; T2133-V2137 PolarHBondContact O-N 3.36Å |
| 2134 | L | 64.2 | Low | 63.4 | Low | 20 Ų | 20 | 56.1 Ų | 56.1 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 176.5 | -60.1 | -177.3 | 0 | 0 | 0 | 111.8 | D2131 A2138 V2158 L2170 | D2131-L2134 HydrophobicContact CB-CB 4.25Å; D2131-L2134 HydrophobicContact CB-CD1 3.81Å; D2131-L2134 HydrophobicContact CB-CG 3.77Å; D2131-L2134 PolarHBondContact O-N 3.23Å; L2134-A2138 WeakPolarHBondContact O-CB 3.4Å; L2134-A2138 PolarHBondContact O-N 3.06Å; L2134-V2158 HydrophobicContact CD2-CG1 3.76Å; L2134-L2170 HydrophobicContact CD2-CD1 3.77Å; L2134-L2170 HydrophobicContact CD2-CD2 3.31Å; L2134-L2170 HydrophobicContact CD2-CG 4.18Å |
| 2135 | V | 66.5 | Low | 62.6 | Low | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.2 | -42.7 | -179.8 | -167.7 | 0 | 0 | 0 | 0 | 111.5 | P2116 S2117 P2119 Y2130 D2131 R2132 T2133 V2137 A2138 A2139 | P2116-V2135 HydrophobicContact CB-CG1 3.53Å; P2116-V2135 HydrophobicContact CG-CB 4.15Å; P2116-V2135 HydrophobicContact CG-CG1 3.46Å; P2116-V2135 VanDerWaalsContact CG-CG1 3.46Å; S2117-V2135 WeakPolarHBondContact O-CG1 3.4Å; P2119-V2135 HydrophobicContact CG-CG2 4.14Å; Y2130-V2135 HydrophobicContact CD2-CG2 4.36Å; Y2130-V2135 HydrophobicContact CE2-CG2 3.72Å; D2131-V2135 WeakPolarHBondContact O-CG2 3.46Å; D2131-V2135 PolarHBondContact O-N 3.3Å; R2132-V2135 PolarHBondContact O-N 3.06Å; T2133-V2135 VanDerWaalsContact C-N 3.3Å; T2133-V2135 PolarHBondContact O-N 3.37Å; V2135-V2137 VanDerWaalsContact C-N 3.3Å; V2135-V2137 PolarHBondContact O-N 3.49Å; V2135-A2138 PolarHBondContact O-N 3.24Å; V2135-A2139 WeakPolarHBondContact O-CB 3.45Å; V2135-A2139 PolarHBondContact O-N 2.98Å |
| 2136 | E | 66.6 | Low | 61.5 | Low | 83 Ų | 83 | 70 Ų | 70 | 39% | 0.388 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 176.5 | -73.8 | 176.4 | -175.2 | 0 | 0 | 111.3 | R2132 T2133 A2139 Q2140 | R2132-E2136 HydrophobicContact CG-CG 4.41Å; R2132-E2136 WeakPolarHBondContact CG-OE1 3.24Å; R2132-E2136 IonicContact CZ-OE1 2.9Å; R2132-E2136 IonicContact NE-OE1 3.99Å; R2132-E2136 PolarHBondContact NE-OE1 2.89Å; R2132-E2136 IonicContact NH2-OE1 3.78Å; R2132-E2136 WeakPolarHBondContact O-CG 3.38Å; R2132-E2136 PolarHBondContact O-N 3.46Å; T2133-E2136 PolarHBondContact O-N 2.91Å; E2136-A2139 PolarHBondContact O-N 3.29Å; E2136-Q2140 WeakPolarHBondContact O-CG 3.36Å; E2136-Q2140 PolarHBondContact O-N 2.93Å |
| 2137 | V | 60.1 | Low | 60.3 | Low | 9 Ų | 9 | 73.5 Ų | 73.5 | 6% | 0.055 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.1 | -48.9 | 174.3 | 173 | 0 | 0 | 0 | 0 | 111.4 | T2133 V2135 A2139 Q2140 L2141 L2170 L2181 C2183 T2188 | T2133-V2137 WeakPolarHBondContact O-CB 3.41Å; T2133-V2137 WeakPolarHBondContact O-CG2 3.41Å; T2133-V2137 PolarHBondContact O-N 3.36Å; V2135-V2137 VanDerWaalsContact C-N 3.3Å; V2135-V2137 PolarHBondContact O-N 3.49Å; V2137-A2139 VanDerWaalsContact C-N 3.32Å; V2137-A2139 PolarHBondContact O-N 3.39Å; V2137-Q2140 PolarHBondContact O-N 3.29Å; V2137-L2141 PolarHBondContact O-N 3.37Å; V2137-L2170 HydrophobicContact CB-CD1 4.08Å; V2137-L2170 HydrophobicContact CG1-CD1 3.9Å; V2137-L2170 HydrophobicContact CG2-CD1 3.69Å; V2137-L2181 HydrophobicContact CG1-CD1 3.38Å; V2137-C2183 VanDerWaalsContact CG2-SG 3.54Å; V2137-T2188 HydrophobicContact CG2-CG2 3.72Å |
| 2138 | A | 60.6 | Low | 58.9 | Low | 7 Ų | 7 | 82.6 Ų | 82.6 | 6% | 0.058 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | P2119 L2134 V2135 Q2140 L2141 F2142 V2155 | P2119-A2138 HydrophobicContact CB-CB 4.17Å; L2134-A2138 WeakPolarHBondContact O-CB 3.4Å; L2134-A2138 PolarHBondContact O-N 3.06Å; V2135-A2138 PolarHBondContact O-N 3.24Å; A2138-Q2140 VanDerWaalsContact C-N 3.33Å; A2138-Q2140 PolarHBondContact O-N 3.25Å; A2138-L2141 WeakPolarHBondContact O-CB 3.19Å; A2138-L2141 PolarHBondContact O-N 3.19Å; A2138-F2142 WeakPolarHBondContact O-CD2 3.08Å; A2138-F2142 PolarHBondContact O-N 2.92Å; A2138-F2142 VanDerWaalsContact O-N 3.15Å; A2138-V2155 HydrophobicContact CB-CG2 4.47Å |
| 2139 | A | 62 | Low | 57.6 | Low | 47 Ų | 47 | 85.1 Ų | 85.1 | 39% | 0.388 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.6 | -34.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V2135 E2136 V2137 F2142 K2143 | V2135-A2139 WeakPolarHBondContact O-CB 3.45Å; V2135-A2139 PolarHBondContact O-N 2.98Å; E2136-A2139 PolarHBondContact O-N 3.29Å; V2137-A2139 VanDerWaalsContact C-N 3.32Å; V2137-A2139 PolarHBondContact O-N 3.39Å; A2139-F2142 PolarHBondContact O-N 3.41Å; A2139-K2143 PolarHBondContact O-N 2.82Å |
| 2140 | Q | 63.2 | Low | 56.3 | Low | 77 Ų | 77 | 85.3 Ų | 85.3 | 36% | 0.36 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.1 | -40.5 | 174.3 | -77.5 | -177.5 | 2.1 | 0 | 0 | 112.2 | E2136 V2137 A2138 F2142 K2143 D2144 T2188 | E2136-Q2140 WeakPolarHBondContact O-CG 3.36Å; E2136-Q2140 PolarHBondContact O-N 2.93Å; V2137-Q2140 PolarHBondContact O-N 3.29Å; A2138-Q2140 VanDerWaalsContact C-N 3.33Å; A2138-Q2140 PolarHBondContact O-N 3.25Å; Q2140-F2142 PolarHBondContact O-N 3.37Å; Q2140-K2143 PolarHBondContact O-N 2.88Å; Q2140-D2144 PolarHBondContact O-N 3.25Å; Q2140-D2144 VanDerWaalsContact O-N 3.16Å; Q2140-T2188 PolarHBondContact OE1-OG1 3.19Å |
| 2141 | L | 56.2 | Low | 54.7 | Low | 25 Ų | 25 | 90.8 Ų | 90.8 | 13% | 0.131 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -56.4 | -40.5 | 172.2 | -76 | 164.7 | 0 | 0 | 0 | 111.6 | V2137 A2138 K2153 V2155 T2172 L2181 | V2137-L2141 PolarHBondContact O-N 3.37Å; A2138-L2141 WeakPolarHBondContact O-CB 3.19Å; A2138-L2141 PolarHBondContact O-N 3.19Å; L2141-K2153 WeakPolarHBondContact O-CD 3.27Å; L2141-V2155 HydrophobicContact CD1-CG2 3.84Å; L2141-T2172 HydrophobicContact CD1-CG2 3.96Å; L2141-L2181 HydrophobicContact CD1-CD1 3.96Å; L2141-L2181 HydrophobicContact CD2-CD1 4.43Å; L2141-L2181 HydrophobicContact CG-CD1 4.37Å |
| 2142 | F | 54.6 | Low | 53.4 | Low | 100 Ų | 100 | 91 Ų | 91 | 44% | 0.439 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.9 | -31.3 | 174.6 | -73.5 | -67.8 | 0 | 0 | 0 | 113.8 | A2138 A2139 Q2140 K2153 | A2138-F2142 WeakPolarHBondContact O-CD2 3.08Å; A2138-F2142 PolarHBondContact O-N 2.92Å; A2138-F2142 VanDerWaalsContact O-N 3.15Å; A2139-F2142 PolarHBondContact O-N 3.41Å; Q2140-F2142 PolarHBondContact O-N 3.37Å; F2142-K2153 VanDerWaalsContact CE1-O 3.3Å; F2142-K2153 WeakPolarHBondContact CE1-O 3.32Å |
| 2143 | K | 53.9 | Low | 52.2 | Low | 177 Ų | 177 | 85.7 Ų | 85.7 | 77% | 0.77 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -73.3 | -25.9 | 179.6 | -94.4 | -175.7 | 176.9 | 178.1 | 0 | 113.7 | A2139 Q2140 K2145 | A2139-K2143 PolarHBondContact O-N 2.82Å; Q2140-K2143 PolarHBondContact O-N 2.88Å; K2143-K2145 VanDerWaalsContact C-N 3.34Å; K2143-K2145 PolarHBondContact O-N 3.42Å |
| 2144 | D | 46.4 | Very low | 51.6 | Low | 108 Ų | 108 | 87.3 Ų | 87.3 | 58% | 0.578 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -63.5 | 99.6 | 179.3 | -109.6 | -7.9 | 0 | 0 | 0 | 109.5 | Q2140 K2153 | Q2140-D2144 PolarHBondContact O-N 3.25Å; Q2140-D2144 VanDerWaalsContact O-N 3.16Å; D2144-K2153 PolarHBondContact O-NZ 2.99Å |
| 2145 | K | 39.7 | Very low | 51.2 | Low | 178 Ų | 178 | 87.1 Ų | 87.1 | 77% | 0.774 | 44% | 0.437 | S | S | * | . | trans | 13.9 | 111 | 178.2 | -68.2 | 179.2 | 179.1 | 176.1 | 0 | 115.6 | K2143 S2147 | K2143-K2145 VanDerWaalsContact C-N 3.34Å; K2143-K2145 PolarHBondContact O-N 3.42Å; K2145-S2147 PolarHBondContact O-N 3Å; K2145-S2147 PolarHBondContact O-OG 2.72Å | ||
| 2146 | M | 36.1 | Very low | 50.5 | Low | 204 Ų | 204 | 90.2 Ų | 90.2 | 100% | 1.005 | 45% | 0.453 | S | S | * | . | trans | -7.9 | 49.5 | 134.7 | -69.6 | -100.4 | -74.6 | 0 | 0 | 117.3 | ||||
| 2147 | S | 39.4 | Very low | 50.1 | Low | 79 Ų | 79 | 86.7 Ų | 86.7 | 55% | 0.552 | 44% | 0.438 | S | S | * | . | trans | -89.7 | 151.1 | 161.8 | 58.6 | 0 | 0 | 0 | 0 | 107.5 | K2145 N2149 | K2145-S2147 PolarHBondContact O-N 3Å; K2145-S2147 PolarHBondContact O-OG 2.72Å; S2147-N2149 PolarHBondContact O-N 3.42Å | ||
| 2148 | E | 43.3 | Very low | 50.1 | Low | 200 Ų | 200 | 87 Ų | 87 | 94% | 0.935 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -58.4 | 2.3 | -161.8 | -65.6 | 176.1 | 146.5 | 0 | 0 | 116.9 | ||
| 2149 | N | 39.6 | Very low | 50.1 | Low | 79 Ų | 79 | 87.4 Ų | 87.4 | 42% | 0.422 | 44% | 0.441 | S | S | . | . | trans | -108.7 | 53.7 | -177.1 | -74.6 | -6.3 | 0 | 0 | 0 | 113.4 | S2147 F2151 E2152 | S2147-N2149 PolarHBondContact O-N 3.42Å; N2149-F2151 PolarHBondContact O-N 2.76Å; N2149-E2152 HydrophobicContact CB-CB 4.27Å; N2149-E2152 HydrophobicContact CB-CG 3.93Å; N2149-E2152 WeakPolarHBondContact CB-OE2 3.4Å; N2149-E2152 PolarHBondContact ND2-OE1 3.06Å; N2149-E2152 PolarHBondContact ND2-OE2 2.86Å; N2149-E2152 WeakPolarHBondContact O-CB 2.97Å; N2149-E2152 PolarHBondContact O-N 3.43Å | ||
| 2150 | S | 46.5 | Very low | 50.1 | Low | 97 Ų | 97 | 90.7 Ų | 90.7 | 68% | 0.678 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -54 | -30.1 | 178.7 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | E2152 K2153 | S2150-E2152 VanDerWaalsContact C-N 3.32Å; S2150-E2152 PolarHBondContact O-N 2.88Å; S2150-K2153 PolarHBondContact O-N 2.83Å |
| 2151 | F | 43.3 | Very low | 50.1 | Low | 146 Ų | 146 | 88.7 Ų | 88.7 | 64% | 0.64 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -68 | -24.3 | 177 | -113.1 | -84.2 | 0 | 0 | 0 | 114.3 | N2149 K2153 | N2149-F2151 PolarHBondContact O-N 2.76Å; F2151-K2153 PolarHBondContact O-N 2.85Å |
| 2152 | E | 44.7 | Very low | 50 | Low | 45 Ų | 45 | 91.5 Ų | 91.5 | 21% | 0.21 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -70.6 | -21 | 179.1 | -74.4 | -178.5 | 161.3 | 0 | 0 | 112.7 | N2149 S2150 C2174 | N2149-E2152 HydrophobicContact CB-CB 4.27Å; N2149-E2152 HydrophobicContact CB-CG 3.93Å; N2149-E2152 WeakPolarHBondContact CB-OE2 3.4Å; N2149-E2152 PolarHBondContact ND2-OE1 3.06Å; N2149-E2152 PolarHBondContact ND2-OE2 2.86Å; N2149-E2152 WeakPolarHBondContact O-CB 2.97Å; N2149-E2152 PolarHBondContact O-N 3.43Å; S2150-E2152 VanDerWaalsContact C-N 3.32Å; S2150-E2152 PolarHBondContact O-N 2.88Å; E2152-C2174 WeakPolarHBondContact O-CB 3.4Å |
| 2153 | K | 44.4 | Very low | 49.9 | Very low | 54 Ų | 54 | 95.4 Ų | 95.4 | 24% | 0.235 | 47% | 0.47 | C | S | . | . | G | 310 helix | trans | -108.4 | 8.2 | -169.6 | -62.8 | -172.1 | 173.5 | -163.8 | 0 | 114.9 | L2141 F2142 D2144 S2150 F2151 V2155 | L2141-K2153 WeakPolarHBondContact O-CD 3.27Å; F2142-K2153 VanDerWaalsContact CE1-O 3.3Å; F2142-K2153 WeakPolarHBondContact CE1-O 3.32Å; D2144-K2153 PolarHBondContact O-NZ 2.99Å; S2150-K2153 PolarHBondContact O-N 2.83Å; F2151-K2153 PolarHBondContact O-N 2.85Å; K2153-V2155 PolarHBondContact O-N 3.33Å |
| 2154 | Q | 52.5 | Low | 49.7 | Very low | 92 Ų | 92 | 91.3 Ų | 91.3 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | trans | -67.3 | 117.4 | 167.5 | -88.8 | -175.4 | -14.8 | 0 | 0 | 109.4 | L2156 C2174 P2175 | Q2154-L2156 PolarHBondContact O-N 3.31Å; Q2154-C2174 WeakPolarHBondContact O-CA 3.38Å; Q2154-C2174 WeakPolarHBondContact O-CB 3.34Å; Q2154-C2174 PolarHBondContact O-SG 3.04Å; Q2154-C2174 VanDerWaalsContact O-SG 3.41Å; Q2154-P2175 HydrophobicContact CB-CG 4.4Å; Q2154-P2175 WeakPolarHBondContact O-CD 3.36Å | ||
| 2155 | V | 55.3 | Low | 49.9 | Very low | 16 Ų | 16 | 92.7 Ų | 92.7 | 10% | 0.097 | 47% | 0.467 | C | S | . | . | trans | -74.2 | 116.5 | 172.3 | 175.7 | 0 | 0 | 0 | 0 | 108.4 | A2138 L2141 K2153 V2158 T2172 | A2138-V2155 HydrophobicContact CB-CG2 4.47Å; L2141-V2155 HydrophobicContact CD1-CG2 3.84Å; K2153-V2155 PolarHBondContact O-N 3.33Å; V2155-V2158 HydrophobicContact CG1-CG2 3.47Å; V2155-V2158 VanDerWaalsContact CG1-CG2 3.47Å; V2155-T2172 HydrophobicContact CB-CG2 4.2Å; V2155-T2172 HydrophobicContact CG1-CG2 3.53Å; V2155-T2172 HydrophobicContact CG2-CG2 3.76Å | ||
| 2156 | L | 53.4 | Low | 50.5 | Low | 72 Ų | 72 | 92.6 Ų | 92.6 | 38% | 0.377 | 47% | 0.469 | S | S | . | . | trans | -83.4 | -41.3 | 174.6 | -69.6 | 172.3 | 0 | 0 | 0 | 111.6 | Q2154 A2173 P2175 | Q2154-L2156 PolarHBondContact O-N 3.31Å; L2156-A2173 WeakPolarHBondContact CA-O 3.43Å; L2156-A2173 WeakPolarHBondContact CB-O 3.5Å; L2156-A2173 PolarHBondContact N-O 3.34Å; L2156-P2175 HydrophobicContact CD1-CB 4.3Å; L2156-P2175 HydrophobicContact CD1-CG 3.98Å; L2156-P2175 HydrophobicContact CD2-CG 4.3Å; L2156-P2175 HydrophobicContact CG-CG 4.05Å | ||
| 2157 | A | 56.9 | Low | 51.2 | Low | 8 Ų | 8 | 83.8 Ų | 83.8 | 7% | 0.066 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 150.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | V2121 F2123 T2172 A2173 | V2121-A2157 VanDerWaalsContact O-CA 3.26Å; V2121-A2157 WeakPolarHBondContact O-CA 3.25Å; V2121-A2157 WeakPolarHBondContact O-CB 3.43Å; F2123-A2157 HydrophobicContact CD1-CB 4.24Å; F2123-A2157 HydrophobicContact CD2-CB 3.67Å; F2123-A2157 HydrophobicContact CE1-CB 4.24Å; F2123-A2157 HydrophobicContact CE2-CB 3.66Å; F2123-A2157 HydrophobicContact CG-CB 3.97Å; F2123-A2157 HydrophobicContact CZ-CB 3.94Å; A2157-T2172 WeakPolarHBondContact O-CA 3.2Å; A2157-A2173 PolarHBondContact N-O 2.86Å; A2157-A2173 PolarHBondContact O-N 2.8Å |
| 2158 | V | 60.8 | Low | 52.1 | Low | 16 Ų | 16 | 81 Ų | 81 | 10% | 0.097 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.7 | 174.5 | -166.2 | 0 | 0 | 0 | 0 | 109.5 | N2122 L2134 V2155 L2170 F2171 T2172 | N2122-V2158 PolarHBondContact OD1-O 3.13Å; L2134-V2158 HydrophobicContact CD2-CG1 3.76Å; V2155-V2158 HydrophobicContact CG1-CG2 3.47Å; V2155-V2158 VanDerWaalsContact CG1-CG2 3.47Å; V2158-L2170 HydrophobicContact CG1-CB 4.28Å; V2158-L2170 HydrophobicContact CG1-CD1 4.5Å; V2158-L2170 HydrophobicContact CG1-CD2 4.34Å; V2158-F2171 CarbonylContact C-O 3.56Å; V2158-F2171 WeakPolarHBondContact CA-O 3.3Å; V2158-T2172 HydrophobicContact CG2-CG2 4.11Å |
| 2159 | L | 60.6 | Low | 53 | Low | 16 Ų | 16 | 72.7 Ų | 72.7 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 137.3 | 174.8 | -158.6 | 107.8 | 0 | 0 | 0 | 110 | F2123 L2161 L2170 F2171 I2233 | F2123-L2159 HydrophobicContact CB-CD1 4.09Å; F2123-L2159 HydrophobicContact CD2-CB 3.63Å; F2123-L2159 HydrophobicContact CD2-CD1 3.66Å; F2123-L2159 HydrophobicContact CD2-CG 4.29Å; F2123-L2159 HydrophobicContact CE2-CB 3.64Å; F2123-L2159 HydrophobicContact CE2-CD1 4.45Å; F2123-L2159 HydrophobicContact CG-CD1 4.07Å; L2159-L2161 HydrophobicContact CD2-CD2 3.75Å; L2159-L2170 CarbonylContact O-C 3.53Å; L2159-L2170 VanDerWaalsContact O-CA 3.32Å; L2159-L2170 WeakPolarHBondContact O-CA 3.21Å; L2159-F2171 HydrophobicContact CB-CB 4.27Å; L2159-F2171 PolarHBondContact N-O 3.44Å; L2159-F2171 PolarHBondContact O-N 3.1Å; L2159-I2233 HydrophobicContact CD2-CD1 4.04Å; L2159-I2233 HydrophobicContact CD2-CG2 3.71Å |
| 2160 | R | 62.6 | Low | 54.2 | Low | 116 Ų | 116 | 69 Ų | 69 | 44% | 0.438 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.1 | 174.1 | -171.2 | 170.5 | 179.8 | 166 | -5.6 | 109.8 | D2131 V2168 L2170 | D2131-R2160 IonicContact OD2-NH1 2.8Å; D2131-R2160 PolarHBondContact OD2-NH1 2.96Å; R2160-V2168 HydrophobicContact CG-CG1 3.88Å; R2160-L2170 HydrophobicContact CB-CD2 3.98Å; R2160-L2170 HydrophobicContact CG-CD2 4.07Å |
| 2161 | L | 61.3 | Low | 55.1 | Low | 35 Ų | 35 | 64.5 Ų | 64.5 | 18% | 0.183 | 32% | 0.318 | C | S | . | . | trans | -101.9 | -34 | -169.8 | -70.1 | 170 | 0 | 0 | 0 | 114.3 | L2159 V2169 F2171 L2231 I2233 | L2159-L2161 HydrophobicContact CD2-CD2 3.75Å; L2161-V2169 HydrophobicContact CB-CB 4.21Å; L2161-V2169 HydrophobicContact CB-CG1 4.32Å; L2161-V2169 WeakPolarHBondContact CB-O 3.38Å; L2161-V2169 HydrophobicContact CD1-CG1 3.85Å; L2161-V2169 PolarHBondContact N-O 3.07Å; L2161-F2171 HydrophobicContact CD1-CB 3.91Å; L2161-F2171 HydrophobicContact CG-CB 4.26Å; L2161-L2231 HydrophobicContact CD1-CD1 4.22Å; L2161-L2231 HydrophobicContact CD1-CD2 3.68Å; L2161-L2231 HydrophobicContact CD2-CD2 3.6Å; L2161-L2231 HydrophobicContact CG-CD2 4.27Å; L2161-I2233 HydrophobicContact CD2-CB 4.45Å; L2161-I2233 HydrophobicContact CD2-CD1 3.84Å; L2161-I2233 HydrophobicContact CD2-CG1 3.62Å; L2161-I2233 HydrophobicContact CD2-CG2 4.28Å | ||
| 2162 | N | 56.1 | Low | 56.1 | Low | 84 Ų | 84 | 57.6 Ų | 57.6 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | trans | -134 | 151 | -175.9 | -79.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2163 | E | 52.2 | Low | 57.1 | Low | 181 Ų | 181 | 55.8 Ų | 55.8 | 85% | 0.846 | 28% | 0.28 | S | S | * | . | trans | -110 | 4.4 | 168.5 | -84.8 | -173.9 | 163.3 | 0 | 0 | 114.2 | ||||
| 2164 | V | 48.7 | Very low | 58.2 | Low | 92 Ų | 92 | 53.2 Ų | 53.2 | 56% | 0.558 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -94 | 131.9 | -168.8 | -166.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 2165 | D | 50.4 | Low | 58.6 | Low | 136 Ų | 136 | 50.6 Ų | 50.6 | 73% | 0.727 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 57.1 | 167.4 | -60.8 | -26.5 | 0 | 0 | 0 | 118.2 | T2167 | D2165-T2167 WeakPolarHBondContact O-CB 3.47Å; D2165-T2167 PolarHBondContact O-N 3.03Å; D2165-T2167 PolarHBondContact O-OG1 3.16Å |
| 2166 | E | 52 | Low | 58.9 | Low | 176 Ų | 176 | 55.1 Ų | 55.1 | 82% | 0.822 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 10.7 | 177.4 | -64.4 | -168.5 | 168.8 | 0 | 0 | 115.3 | ||
| 2167 | T | 52.2 | Low | 59.7 | Low | 19 Ų | 19 | 56 Ų | 56 | 12% | 0.117 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 104.7 | -168.2 | -50.6 | 0 | 0 | 0 | 0 | 109.1 | D2165 K2182 C2183 Q2184 | D2165-T2167 WeakPolarHBondContact O-CB 3.47Å; D2165-T2167 PolarHBondContact O-N 3.03Å; D2165-T2167 PolarHBondContact O-OG1 3.16Å; T2167-K2182 HydrophobicContact CG2-CD 4.01Å; T2167-K2182 HydrophobicContact CG2-CG 3.63Å; T2167-C2183 CarbonylContact C-O 3.55Å; T2167-C2183 WeakPolarHBondContact CA-O 3.47Å; T2167-Q2184 HydrophobicContact CG2-CG 3.8Å; T2167-Q2184 PolarHBondContact OG1-NE2 3.09Å |
| 2168 | V | 57.6 | Low | 60.4 | Low | 21 Ų | 21 | 55.6 Ų | 55.6 | 13% | 0.127 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 109.7 | -178.1 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | R2160 L2170 C2183 | R2160-V2168 HydrophobicContact CG-CG1 3.88Å; V2168-L2170 HydrophobicContact CG1-CD2 3.64Å; V2168-L2170 HydrophobicContact CG1-CG 3.97Å; V2168-C2183 HydrophobicContact CB-CB 4.21Å; V2168-C2183 PolarHBondContact N-O 3.15Å; V2168-C2183 WeakPolarHBondContact O-CB 3.39Å; V2168-C2183 PolarHBondContact O-N 3.37Å |
| 2169 | V | 62.4 | Low | 60.9 | Low | 25 Ų | 25 | 55.6 Ų | 55.6 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 126.2 | 170.8 | -171.6 | 0 | 0 | 0 | 0 | 108.7 | L2161 V2180 L2181 K2182 | L2161-V2169 HydrophobicContact CB-CB 4.21Å; L2161-V2169 HydrophobicContact CB-CG1 4.32Å; L2161-V2169 WeakPolarHBondContact CB-O 3.38Å; L2161-V2169 HydrophobicContact CD1-CG1 3.85Å; L2161-V2169 PolarHBondContact N-O 3.07Å; V2169-V2180 HydrophobicContact CG1-CG1 3.78Å; V2169-L2181 CarbonylContact C-O 3.58Å; V2169-L2181 VanDerWaalsContact CA-O 3.28Å; V2169-L2181 WeakPolarHBondContact CA-O 3.24Å; V2169-K2182 HydrophobicContact CG2-CG 4.41Å |
| 2170 | L | 64.9 | Low | 61.3 | Low | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 138 | -178.2 | -59.4 | 173.7 | 0 | 0 | 0 | 110.2 | L2134 V2137 V2158 L2159 R2160 V2168 V2180 L2181 | L2134-L2170 HydrophobicContact CD2-CD1 3.77Å; L2134-L2170 HydrophobicContact CD2-CD2 3.31Å; L2134-L2170 HydrophobicContact CD2-CG 4.18Å; V2137-L2170 HydrophobicContact CB-CD1 4.08Å; V2137-L2170 HydrophobicContact CG1-CD1 3.9Å; V2137-L2170 HydrophobicContact CG2-CD1 3.69Å; V2158-L2170 HydrophobicContact CG1-CB 4.28Å; V2158-L2170 HydrophobicContact CG1-CD1 4.5Å; V2158-L2170 HydrophobicContact CG1-CD2 4.34Å; L2159-L2170 CarbonylContact O-C 3.53Å; L2159-L2170 VanDerWaalsContact O-CA 3.32Å; L2159-L2170 WeakPolarHBondContact O-CA 3.21Å; R2160-L2170 HydrophobicContact CB-CD2 3.98Å; R2160-L2170 HydrophobicContact CG-CD2 4.07Å; V2168-L2170 HydrophobicContact CG1-CD2 3.64Å; V2168-L2170 HydrophobicContact CG1-CG 3.97Å; L2170-V2180 CarbonylContact O-C 3.58Å; L2170-V2180 WeakPolarHBondContact O-CA 3.42Å; L2170-L2181 HydrophobicContact CB-CB 4.32Å; L2170-L2181 PolarHBondContact N-O 2.99Å; L2170-L2181 PolarHBondContact O-N 2.95Å |
| 2171 | F | 65.1 | Low | 61.6 | Low | 3 Ų | 3 | 49.8 Ų | 49.8 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 121.2 | 167 | -177.1 | -91.5 | 0 | 0 | 0 | 108.6 | F2123 V2158 L2159 L2161 A2173 F2178 Y2179 V2180 I2219 | F2123-F2171 HydrophobicContact CE1-CD1 4.29Å; F2123-F2171 HydrophobicContact CE1-CE1 4.02Å; F2123-F2171 AromaticContact CE2-CD1 3.9Å; F2123-F2171 HydrophobicContact CE2-CD1 3.9Å; F2123-F2171 HydrophobicContact CE2-CE1 4.42Å; F2123-F2171 AromaticContact CZ-CD1 3.42Å; F2123-F2171 HydrophobicContact CZ-CD1 3.42Å; F2123-F2171 VanDerWaalsContact CZ-CD1 3.42Å; F2123-F2171 AromaticContact CZ-CE1 3.51Å; F2123-F2171 HydrophobicContact CZ-CE1 3.51Å; V2158-F2171 CarbonylContact C-O 3.56Å; V2158-F2171 WeakPolarHBondContact CA-O 3.3Å; L2159-F2171 HydrophobicContact CB-CB 4.27Å; L2159-F2171 PolarHBondContact N-O 3.44Å; L2159-F2171 PolarHBondContact O-N 3.1Å; L2161-F2171 HydrophobicContact CD1-CB 3.91Å; L2161-F2171 HydrophobicContact CG-CB 4.26Å; F2171-A2173 HydrophobicContact CE1-CB 4.49Å; F2171-F2178 HydrophobicContact CD2-CD2 4.34Å; F2171-F2178 HydrophobicContact CE1-CB 4.35Å; F2171-F2178 HydrophobicContact CE2-CB 4.01Å; F2171-F2178 AromaticContact CE2-CD2 3.4Å; F2171-F2178 HydrophobicContact CE2-CD2 3.4Å; F2171-F2178 HydrophobicContact CE2-CE2 4.09Å; F2171-F2178 AromaticContact CE2-CG 3.92Å; F2171-F2178 HydrophobicContact CE2-CG 3.92Å; F2171-F2178 HydrophobicContact CZ-CB 3.65Å; F2171-F2178 AromaticContact CZ-CD2 3.86Å; F2171-F2178 HydrophobicContact CZ-CD2 3.86Å; F2171-F2178 AromaticContact CZ-CG 3.88Å; F2171-F2178 HydrophobicContact CZ-CG 3.88Å; F2171-Y2179 CarbonylContact C-O 3.58Å; F2171-Y2179 WeakPolarHBondContact CA-O 3.47Å; F2171-V2180 HydrophobicContact CD2-CG2 4.01Å; F2171-I2219 HydrophobicContact CE2-CD1 4.38Å; F2171-I2219 HydrophobicContact CZ-CD1 4.48Å |
| 2172 | T | 65.1 | Low | 62 | Low | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 116.7 | -176.6 | -44.7 | 0 | 0 | 0 | 0 | 109.6 | L2141 V2155 A2157 V2158 F2178 Y2179 L2181 | L2141-T2172 HydrophobicContact CD1-CG2 3.96Å; V2155-T2172 HydrophobicContact CB-CG2 4.2Å; V2155-T2172 HydrophobicContact CG1-CG2 3.53Å; V2155-T2172 HydrophobicContact CG2-CG2 3.76Å; A2157-T2172 WeakPolarHBondContact O-CA 3.2Å; V2158-T2172 HydrophobicContact CG2-CG2 4.11Å; T2172-F2178 CarbonylContact O-C 3.57Å; T2172-F2178 WeakPolarHBondContact O-CA 3.4Å; T2172-Y2179 PolarHBondContact N-O 3.25Å; T2172-Y2179 PolarHBondContact O-N 2.96Å; T2172-L2181 WeakPolarHBondContact OG1-CD1 3.49Å |
| 2173 | A | 65.3 | Low | 62.4 | Low | 7 Ų | 7 | 48.4 Ų | 48.4 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 127.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | F2123 L2156 A2157 F2171 Y2196 | F2123-A2173 HydrophobicContact CE1-CB 3.86Å; F2123-A2173 HydrophobicContact CZ-CB 3.52Å; L2156-A2173 WeakPolarHBondContact CA-O 3.43Å; L2156-A2173 WeakPolarHBondContact CB-O 3.5Å; L2156-A2173 PolarHBondContact N-O 3.34Å; A2157-A2173 PolarHBondContact N-O 2.86Å; A2157-A2173 PolarHBondContact O-N 2.8Å; F2171-A2173 HydrophobicContact CE1-CB 4.49Å; A2173-Y2196 WeakPolarHBondContact CB-OH 3.44Å |
| 2174 | C | 67 | Low | 63 | Low | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | trans | -117.5 | 166.8 | 171 | -60.4 | 0 | 0 | 0 | 0 | 109.2 | E2152 Q2154 R2176 R2177 Y2179 Y2196 | E2152-C2174 WeakPolarHBondContact O-CB 3.4Å; Q2154-C2174 WeakPolarHBondContact O-CA 3.38Å; Q2154-C2174 WeakPolarHBondContact O-CB 3.34Å; Q2154-C2174 PolarHBondContact O-SG 3.04Å; Q2154-C2174 VanDerWaalsContact O-SG 3.41Å; C2174-R2176 PolarHBondContact O-N 3.49Å; C2174-R2176 VanDerWaalsContact O-N 3.11Å; C2174-R2177 CarbonylContact C-O 3.51Å; C2174-R2177 WeakPolarHBondContact CA-O 3.37Å; C2174-R2177 WeakPolarHBondContact CB-O 3.39Å; C2174-R2177 PolarHBondContact N-O 3.27Å; C2174-R2177 VanDerWaalsContact O-O 3.09Å; C2174-Y2179 HydrophobicContact CB-CE2 4.13Å; C2174-Y2196 VanDerWaalsContact O-CE2 3.24Å; C2174-Y2196 WeakPolarHBondContact O-CE2 3.44Å; C2174-Y2196 PolarHBondContact O-OH 2.82Å | ||
| 2175 | P | 61.5 | Low | 63.7 | Low | 36 Ų | 36 | 44.2 Ų | 44.2 | 23% | 0.234 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -58.1 | -28.3 | -175.1 | -26.4 | 32.7 | 0 | 0 | 0 | 115.2 | Q2154 L2156 | Q2154-P2175 HydrophobicContact CB-CG 4.4Å; Q2154-P2175 WeakPolarHBondContact O-CD 3.36Å; L2156-P2175 HydrophobicContact CD1-CB 4.3Å; L2156-P2175 HydrophobicContact CD1-CG 3.98Å; L2156-P2175 HydrophobicContact CD2-CG 4.3Å; L2156-P2175 HydrophobicContact CG-CG 4.05Å |
| 2176 | R | 60.5 | Low | 64.2 | Low | 111 Ų | 111 | 41.1 Ų | 41.1 | 42% | 0.419 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -117.4 | -17.3 | -177.3 | -77.1 | -173.4 | 161.2 | 149.8 | -0.7 | 115 | C2174 | C2174-R2176 PolarHBondContact O-N 3.49Å; C2174-R2176 VanDerWaalsContact O-N 3.11Å |
| 2177 | R | 70.4 | Confident | 64.8 | Low | 90 Ų | 90 | 36.9 Ų | 36.9 | 34% | 0.34 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 158 | -172.2 | -67.7 | -164.7 | 174.3 | -166.2 | -0.9 | 111 | C2174 Y2179 N2193 N2194 | C2174-R2177 CarbonylContact C-O 3.51Å; C2174-R2177 WeakPolarHBondContact CA-O 3.37Å; C2174-R2177 WeakPolarHBondContact CB-O 3.39Å; C2174-R2177 PolarHBondContact N-O 3.27Å; C2174-R2177 VanDerWaalsContact O-O 3.09Å; R2177-Y2179 HydrophobicContact CB-CE2 3.95Å; R2177-N2193 VanDerWaalsContact CD-OD1 3.24Å; R2177-N2193 WeakPolarHBondContact CD-OD1 3.37Å; R2177-N2193 PolarHBondContact NH1-ND2 3.42Å; R2177-N2193 PolarHBondContact NH1-OD1 3.17Å; R2177-N2194 WeakPolarHBondContact CA-O 3.21Å; R2177-N2194 WeakPolarHBondContact CB-O 3.27Å |
| 2178 | F | 71 | Confident | 65.3 | Low | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 146.6 | 165.7 | 67.7 | -90.8 | 0 | 0 | 0 | 110.3 | F2171 T2172 N2194 S2195 Y2196 L2199 F2221 | F2171-F2178 HydrophobicContact CD2-CD2 4.34Å; F2171-F2178 HydrophobicContact CE1-CB 4.35Å; F2171-F2178 HydrophobicContact CE2-CB 4.01Å; F2171-F2178 AromaticContact CE2-CD2 3.4Å; F2171-F2178 HydrophobicContact CE2-CD2 3.4Å; F2171-F2178 HydrophobicContact CE2-CE2 4.09Å; F2171-F2178 AromaticContact CE2-CG 3.92Å; F2171-F2178 HydrophobicContact CE2-CG 3.92Å; F2171-F2178 HydrophobicContact CZ-CB 3.65Å; F2171-F2178 AromaticContact CZ-CD2 3.86Å; F2171-F2178 HydrophobicContact CZ-CD2 3.86Å; F2171-F2178 AromaticContact CZ-CG 3.88Å; F2171-F2178 HydrophobicContact CZ-CG 3.88Å; T2172-F2178 CarbonylContact O-C 3.57Å; T2172-F2178 WeakPolarHBondContact O-CA 3.4Å; F2178-N2194 HydrophobicContact CD1-CB 4.38Å; F2178-N2194 HydrophobicContact CD2-CB 4.48Å; F2178-N2194 HydrophobicContact CE1-CB 3.71Å; F2178-N2194 HydrophobicContact CE2-CB 3.84Å; F2178-N2194 HydrophobicContact CZ-CB 3.41Å; F2178-N2194 VanDerWaalsContact CZ-CB 3.41Å; F2178-N2194 PolarHBondContact N-O 2.93Å; F2178-N2194 PolarHBondContact O-N 2.86Å; F2178-N2194 VanDerWaalsContact O-N 3.08Å; F2178-S2195 VanDerWaalsContact CE1-O 3.29Å; F2178-S2195 WeakPolarHBondContact CE1-O 3.4Å; F2178-Y2196 HydrophobicContact CB-CE1 4.24Å; F2178-Y2196 AromaticContact CD1-CD1 3.97Å; F2178-Y2196 HydrophobicContact CD1-CD1 3.97Å; F2178-Y2196 HydrophobicContact CD1-CE1 4.19Å; F2178-Y2196 HydrophobicContact CD1-CG 4.45Å; F2178-L2199 HydrophobicContact CD1-CD1 4.37Å; F2178-L2199 HydrophobicContact CE1-CB 4.44Å; F2178-L2199 HydrophobicContact CE1-CD1 3.83Å; F2178-L2199 HydrophobicContact CZ-CD1 4.08Å; F2178-F2221 HydrophobicContact CE2-CD1 4.45Å; F2178-F2221 HydrophobicContact CE2-CG 4.29Å; F2178-F2221 HydrophobicContact CZ-CB 4.01Å; F2178-F2221 HydrophobicContact CZ-CG 4.14Å |
| 2179 | Y | 71.2 | Confident | 65.9 | Low | 17 Ų | 17 | 41 Ų | 41 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.2 | -178.7 | -59.3 | -94.1 | 0 | 0 | 0 | 109.4 | F2171 T2172 C2174 R2177 V2190 A2192 N2193 | F2171-Y2179 CarbonylContact C-O 3.58Å; F2171-Y2179 WeakPolarHBondContact CA-O 3.47Å; T2172-Y2179 PolarHBondContact N-O 3.25Å; T2172-Y2179 PolarHBondContact O-N 2.96Å; C2174-Y2179 HydrophobicContact CB-CE2 4.13Å; R2177-Y2179 HydrophobicContact CB-CE2 3.95Å; Y2179-V2190 HydrophobicContact CD1-CG1 4.18Å; Y2179-A2192 CarbonylContact C-O 3.47Å; Y2179-A2192 VanDerWaalsContact CA-O 3.29Å; Y2179-A2192 WeakPolarHBondContact CA-O 3.43Å; Y2179-N2193 HydrophobicContact CD1-CB 3.94Å; Y2179-N2193 HydrophobicContact CE1-CB 3.97Å; Y2179-N2193 VanDerWaalsContact CE1-OD1 3.25Å; Y2179-N2193 WeakPolarHBondContact CE1-OD1 2.97Å |
| 2180 | V | 69.4 | Low | 66.1 | Low | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.036 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.4 | 164 | -176.3 | 0 | 0 | 0 | 0 | 106.7 | V2169 L2170 F2171 V2191 A2192 | V2169-V2180 HydrophobicContact CG1-CG1 3.78Å; L2170-V2180 CarbonylContact O-C 3.58Å; L2170-V2180 WeakPolarHBondContact O-CA 3.42Å; F2171-V2180 HydrophobicContact CD2-CG2 4.01Å; V2180-V2191 HydrophobicContact CB-CB 4.42Å; V2180-V2191 HydrophobicContact CG1-CB 4.27Å; V2180-V2191 WeakPolarHBondContact O-CA 3.5Å; V2180-V2191 WeakPolarHBondContact O-CB 3.25Å; V2180-V2191 PolarHBondContact O-N 3.19Å; V2180-A2192 HydrophobicContact CB-CB 3.9Å; V2180-A2192 HydrophobicContact CG2-CB 4.02Å; V2180-A2192 PolarHBondContact N-O 3.08Å; V2180-A2192 PolarHBondContact O-N 3.48Å; V2180-A2192 VanDerWaalsContact O-N 3.07Å |
| 2181 | L | 69.2 | Low | 66.2 | Low | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.8 | -175.8 | -54 | 170.9 | 0 | 0 | 0 | 108.3 | V2137 L2141 V2169 L2170 T2172 T2189 V2190 | V2137-L2181 HydrophobicContact CG1-CD1 3.38Å; L2141-L2181 HydrophobicContact CD1-CD1 3.96Å; L2141-L2181 HydrophobicContact CD2-CD1 4.43Å; L2141-L2181 HydrophobicContact CG-CD1 4.37Å; V2169-L2181 CarbonylContact C-O 3.58Å; V2169-L2181 VanDerWaalsContact CA-O 3.28Å; V2169-L2181 WeakPolarHBondContact CA-O 3.24Å; L2170-L2181 HydrophobicContact CB-CB 4.32Å; L2170-L2181 PolarHBondContact N-O 2.99Å; L2170-L2181 PolarHBondContact O-N 2.95Å; T2172-L2181 WeakPolarHBondContact OG1-CD1 3.49Å; L2181-T2189 CarbonylContact C-O 3.52Å; L2181-T2189 WeakPolarHBondContact CA-O 3.49Å; L2181-V2190 HydrophobicContact CD2-CB 4.1Å; L2181-V2190 HydrophobicContact CD2-CG1 4.19Å; L2181-V2190 HydrophobicContact CD2-CG2 3.64Å |
| 2182 | K | 68.9 | Low | 66.3 | Low | 73 Ų | 73 | 47.6 Ų | 47.6 | 32% | 0.317 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 119.8 | 170.1 | -178.2 | -176.8 | -174.5 | -171.7 | 0 | 108.1 | T2167 V2169 T2189 V2191 | T2167-K2182 HydrophobicContact CG2-CD 4.01Å; T2167-K2182 HydrophobicContact CG2-CG 3.63Å; V2169-K2182 HydrophobicContact CG2-CG 4.41Å; K2182-T2189 PolarHBondContact N-O 3.35Å; K2182-T2189 PolarHBondContact O-N 3.37Å; K2182-T2189 PolarHBondContact O-OG1 3.01Å; K2182-V2191 HydrophobicContact CB-CG2 3.4Å; K2182-V2191 VanDerWaalsContact CB-CG2 3.4Å |
| 2183 | C | 65.1 | Low | 66.6 | Low | 18 Ų | 18 | 50.9 Ų | 50.9 | 12% | 0.122 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.7 | 179.2 | -53.1 | 0 | 0 | 0 | 0 | 109 | V2137 T2167 V2168 T2187 T2188 | V2137-C2183 VanDerWaalsContact CG2-SG 3.54Å; T2167-C2183 CarbonylContact C-O 3.55Å; T2167-C2183 WeakPolarHBondContact CA-O 3.47Å; V2168-C2183 HydrophobicContact CB-CB 4.21Å; V2168-C2183 PolarHBondContact N-O 3.15Å; V2168-C2183 WeakPolarHBondContact O-CB 3.39Å; V2168-C2183 PolarHBondContact O-N 3.37Å; C2183-T2187 WeakPolarHBondContact CA-O 3.26Å; C2183-T2188 HydrophobicContact CB-CG2 4.45Å |
| 2184 | Q | 65.6 | Low | 66.9 | Low | 77 Ų | 77 | 51.5 Ų | 51.5 | 36% | 0.36 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 121.3 | 179.7 | -124.3 | 168.4 | 9.3 | 0 | 0 | 107.6 | T2167 G2186 T2187 | T2167-Q2184 HydrophobicContact CG2-CG 3.8Å; T2167-Q2184 PolarHBondContact OG1-NE2 3.09Å; Q2184-G2186 VanDerWaalsContact C-N 3.29Å; Q2184-G2186 PolarHBondContact O-N 3.31Å; Q2184-G2186 VanDerWaalsContact O-N 3.15Å; Q2184-T2187 PolarHBondContact N-O 3.1Å; Q2184-T2187 PolarHBondContact O-N 3.37Å; Q2184-T2187 PolarHBondContact O-OG1 3.43Å |
| 2185 | S | 63.4 | Low | 67.2 | Low | 108 Ų | 108 | 52.9 Ų | 52.9 | 76% | 0.755 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 40.1 | 172.9 | -37.7 | 0 | 0 | 0 | 0 | 114.5 | T2187 | S2185-T2187 VanDerWaalsContact C-N 3.28Å; S2185-T2187 PolarHBondContact O-N 3.39Å |
| 2186 | G | 60 | Low | 67.6 | Low | 70 Ų | 70 | 51.7 Ų | 51.7 | 72% | 0.722 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | -1.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q2184 | Q2184-G2186 VanDerWaalsContact C-N 3.29Å; Q2184-G2186 PolarHBondContact O-N 3.31Å; Q2184-G2186 VanDerWaalsContact O-N 3.15Å |
| 2187 | T | 64.7 | Low | 68.1 | Low | 88 Ų | 88 | 50.7 Ų | 50.7 | 54% | 0.54 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 130.9 | 170.1 | 62.5 | 0 | 0 | 0 | 0 | 110.3 | C2183 Q2184 S2185 | C2183-T2187 WeakPolarHBondContact CA-O 3.26Å; Q2184-T2187 PolarHBondContact N-O 3.1Å; Q2184-T2187 PolarHBondContact O-N 3.37Å; Q2184-T2187 PolarHBondContact O-OG1 3.43Å; S2185-T2187 VanDerWaalsContact C-N 3.28Å; S2185-T2187 PolarHBondContact O-N 3.39Å |
| 2188 | T | 64.1 | Low | 68 | Low | 50 Ų | 50 | 47.5 Ų | 47.5 | 31% | 0.307 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.3 | 173.1 | 62.8 | 0 | 0 | 0 | 0 | 108.7 | V2137 Q2140 C2183 | V2137-T2188 HydrophobicContact CG2-CG2 3.72Å; Q2140-T2188 PolarHBondContact OE1-OG1 3.19Å; C2183-T2188 HydrophobicContact CB-CG2 4.45Å |
| 2189 | T | 68.5 | Low | 67.9 | Low | 75 Ų | 75 | 47.9 Ų | 47.9 | 46% | 0.46 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 130.1 | 175.8 | 53.1 | 0 | 0 | 0 | 0 | 108.6 | L2181 K2182 V2191 | L2181-T2189 CarbonylContact C-O 3.52Å; L2181-T2189 WeakPolarHBondContact CA-O 3.49Å; K2182-T2189 PolarHBondContact N-O 3.35Å; K2182-T2189 PolarHBondContact O-N 3.37Å; K2182-T2189 PolarHBondContact O-OG1 3.01Å; T2189-V2191 PolarHBondContact O-N 2.65Å |
| 2190 | V | 67.7 | Low | 67.9 | Low | 77 Ų | 77 | 55.6 Ų | 55.6 | 47% | 0.467 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 105.5 | 173.8 | -174.8 | 0 | 0 | 0 | 0 | 107.6 | Y2179 L2181 A2192 N2193 | Y2179-V2190 HydrophobicContact CD1-CG1 4.18Å; L2181-V2190 HydrophobicContact CD2-CB 4.1Å; L2181-V2190 HydrophobicContact CD2-CG1 4.19Å; L2181-V2190 HydrophobicContact CD2-CG2 3.64Å; V2190-A2192 WeakPolarHBondContact CG1-O 3.42Å; V2190-N2193 HydrophobicContact CG1-CB 3.89Å |
| 2191 | V | 67.4 | Low | 68.1 | Low | 85 Ų | 85 | 56.9 Ų | 56.9 | 52% | 0.515 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -40.8 | 176.8 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | V2180 K2182 T2189 | V2180-V2191 HydrophobicContact CB-CB 4.42Å; V2180-V2191 HydrophobicContact CG1-CB 4.27Å; V2180-V2191 WeakPolarHBondContact O-CA 3.5Å; V2180-V2191 WeakPolarHBondContact O-CB 3.25Å; V2180-V2191 PolarHBondContact O-N 3.19Å; K2182-V2191 HydrophobicContact CB-CG2 3.4Å; K2182-V2191 VanDerWaalsContact CB-CG2 3.4Å; T2189-V2191 PolarHBondContact O-N 2.65Å |
| 2192 | A | 65.6 | Low | 68 | Low | 7 Ų | 7 | 58 Ų | 58 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 141 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y2179 V2180 V2190 F2221 | Y2179-A2192 CarbonylContact C-O 3.47Å; Y2179-A2192 VanDerWaalsContact CA-O 3.29Å; Y2179-A2192 WeakPolarHBondContact CA-O 3.43Å; V2180-A2192 HydrophobicContact CB-CB 3.9Å; V2180-A2192 HydrophobicContact CG2-CB 4.02Å; V2180-A2192 PolarHBondContact N-O 3.08Å; V2180-A2192 PolarHBondContact O-N 3.48Å; V2180-A2192 VanDerWaalsContact O-N 3.07Å; V2190-A2192 WeakPolarHBondContact CG1-O 3.42Å; A2192-F2221 HydrophobicContact CB-CE2 4.29Å |
| 2193 | N | 72 | Confident | 68.3 | Low | 70 Ų | 70 | 61.1 Ų | 61.1 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 91.4 | 175.7 | 170.4 | 7.2 | 0 | 0 | 0 | 107.4 | R2177 Y2179 V2190 | R2177-N2193 VanDerWaalsContact CD-OD1 3.24Å; R2177-N2193 WeakPolarHBondContact CD-OD1 3.37Å; R2177-N2193 PolarHBondContact NH1-ND2 3.42Å; R2177-N2193 PolarHBondContact NH1-OD1 3.17Å; Y2179-N2193 HydrophobicContact CD1-CB 3.94Å; Y2179-N2193 HydrophobicContact CE1-CB 3.97Å; Y2179-N2193 VanDerWaalsContact CE1-OD1 3.25Å; Y2179-N2193 WeakPolarHBondContact CE1-OD1 2.97Å; V2190-N2193 HydrophobicContact CG1-CB 3.89Å |
| 2194 | N | 71.4 | Confident | 68.7 | Low | 20 Ų | 20 | 62.7 Ų | 62.7 | 11% | 0.107 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 145.8 | -169.7 | -72 | -31 | 0 | 0 | 0 | 110.3 | R2177 F2178 A2198 F2221 | R2177-N2194 WeakPolarHBondContact CA-O 3.21Å; R2177-N2194 WeakPolarHBondContact CB-O 3.27Å; F2178-N2194 HydrophobicContact CD1-CB 4.38Å; F2178-N2194 HydrophobicContact CD2-CB 4.48Å; F2178-N2194 HydrophobicContact CE1-CB 3.71Å; F2178-N2194 HydrophobicContact CE2-CB 3.84Å; F2178-N2194 HydrophobicContact CZ-CB 3.41Å; F2178-N2194 VanDerWaalsContact CZ-CB 3.41Å; F2178-N2194 PolarHBondContact N-O 2.93Å; F2178-N2194 PolarHBondContact O-N 2.86Å; F2178-N2194 VanDerWaalsContact O-N 3.08Å; N2194-A2198 HydrophobicContact CB-CB 4.05Å; N2194-F2221 WeakPolarHBondContact ND2-CD2 3.41Å |
| 2195 | S | 74.3 | Confident | 69.1 | Low | 30 Ų | 30 | 61.9 Ų | 61.9 | 21% | 0.21 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 156.9 | 162.5 | 49.6 | 0 | 0 | 0 | 0 | 109.9 | F2178 S2197 A2198 E2255 | F2178-S2195 VanDerWaalsContact CE1-O 3.29Å; F2178-S2195 WeakPolarHBondContact CE1-O 3.4Å; S2195-S2197 WeakPolarHBondContact CB-OG 3.45Å; S2195-S2197 PolarHBondContact O-N 2.79Å; S2195-S2197 PolarHBondContact OG-OG 2.84Å; S2195-A2198 WeakPolarHBondContact O-CB 3.43Å; S2195-A2198 PolarHBondContact O-N 2.86Å; S2195-E2255 WeakPolarHBondContact CB-OE1 3.26Å |
| 2196 | Y | 69.8 | Low | 69.6 | Low | 10 Ų | 10 | 61.3 Ų | 61.3 | 4% | 0.039 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -63.1 | -21.4 | 173.2 | -66 | -81.4 | 0 | 0 | 0 | 111.4 | A2173 C2174 F2178 A2198 L2199 Q2252 E2255 | A2173-Y2196 WeakPolarHBondContact CB-OH 3.44Å; C2174-Y2196 VanDerWaalsContact O-CE2 3.24Å; C2174-Y2196 WeakPolarHBondContact O-CE2 3.44Å; C2174-Y2196 PolarHBondContact O-OH 2.82Å; F2178-Y2196 HydrophobicContact CB-CE1 4.24Å; F2178-Y2196 AromaticContact CD1-CD1 3.97Å; F2178-Y2196 HydrophobicContact CD1-CD1 3.97Å; F2178-Y2196 HydrophobicContact CD1-CE1 4.19Å; F2178-Y2196 HydrophobicContact CD1-CG 4.45Å; Y2196-A2198 PolarHBondContact O-N 3.37Å; Y2196-L2199 VanDerWaalsContact O-CB 3.24Å; Y2196-L2199 WeakPolarHBondContact O-CB 3.45Å; Y2196-L2199 PolarHBondContact O-N 2.95Å; Y2196-L2199 VanDerWaalsContact O-N 3.12Å; Y2196-Q2252 WeakPolarHBondContact O-CG 3.3Å; Y2196-Q2252 PolarHBondContact O-NE2 3.08Å; Y2196-E2255 VanDerWaalsContact CA-OE2 3.24Å; Y2196-E2255 WeakPolarHBondContact CA-OE2 3.2Å; Y2196-E2255 VanDerWaalsContact CB-OE2 3.23Å; Y2196-E2255 WeakPolarHBondContact CB-OE2 3.45Å; Y2196-E2255 PolarHBondContact N-OE2 3.46Å |
| 2197 | S | 69.5 | Low | 70.1 | Confident | 91 Ų | 91 | 62 Ų | 62 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -60.3 | -22 | 170.6 | 77.4 | 0 | 0 | 0 | 0 | 114.7 | S2195 L2199 E2255 | S2195-S2197 WeakPolarHBondContact CB-OG 3.45Å; S2195-S2197 PolarHBondContact O-N 2.79Å; S2195-S2197 PolarHBondContact OG-OG 2.84Å; S2197-L2199 VanDerWaalsContact C-N 3.3Å; S2197-E2255 PolarHBondContact N-OE2 3.29Å |
| 2198 | A | 69.7 | Low | 69.9 | Low | 22 Ų | 22 | 63.8 Ų | 63.8 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -82.5 | -6.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | N2194 S2195 Y2196 R2200 F2221 N2222 | N2194-A2198 HydrophobicContact CB-CB 4.05Å; S2195-A2198 WeakPolarHBondContact O-CB 3.43Å; S2195-A2198 PolarHBondContact O-N 2.86Å; Y2196-A2198 PolarHBondContact O-N 3.37Å; A2198-R2200 PolarHBondContact O-N 2.85Å; A2198-F2221 WeakPolarHBondContact O-CA 3.36Å; A2198-N2222 PolarHBondContact O-N 3.14Å |
| 2199 | L | 68.6 | Low | 69.1 | Low | 8 Ų | 8 | 65.3 Ų | 65.3 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 110 | -176.4 | -156.2 | 126.7 | 0 | 0 | 0 | 109.5 | F2178 Y2196 S2197 C2202 I2219 I2248 Q2252 | F2178-L2199 HydrophobicContact CD1-CD1 4.37Å; F2178-L2199 HydrophobicContact CE1-CB 4.44Å; F2178-L2199 HydrophobicContact CE1-CD1 3.83Å; F2178-L2199 HydrophobicContact CZ-CD1 4.08Å; Y2196-L2199 VanDerWaalsContact O-CB 3.24Å; Y2196-L2199 WeakPolarHBondContact O-CB 3.45Å; Y2196-L2199 PolarHBondContact O-N 2.95Å; Y2196-L2199 VanDerWaalsContact O-N 3.12Å; S2197-L2199 VanDerWaalsContact C-N 3.3Å; L2199-C2202 HydrophobicContact CD2-CB 4.2Å; L2199-I2219 HydrophobicContact CD1-CG2 3.59Å; L2199-I2219 HydrophobicContact CD2-CG2 4.45Å; L2199-I2219 HydrophobicContact CG-CG2 3.97Å; L2199-I2248 HydrophobicContact CD1-CG2 3.81Å; L2199-I2248 HydrophobicContact CD2-CG2 4.06Å; L2199-Q2252 HydrophobicContact CB-CG 4.45Å; L2199-Q2252 PolarHBondContact O-NE2 2.95Å |
| 2200 | R | 72 | Confident | 68.6 | Low | 179 Ų | 179 | 64.8 Ų | 64.8 | 68% | 0.675 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -40.2 | -174.1 | -163.2 | -178.1 | -175 | -171.8 | 3.1 | 112.4 | A2198 V2220 | A2198-R2200 PolarHBondContact O-N 2.85Å; R2200-V2220 HydrophobicContact CB-CG1 4.2Å; R2200-V2220 PolarHBondContact N-O 2.84Å |
| 2201 | S | 72.1 | Confident | 67.6 | Low | 34 Ų | 34 | 69.5 Ų | 69.5 | 24% | 0.238 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 147.5 | 174.3 | 68.4 | 0 | 0 | 0 | 0 | 112 | V2220 | S2201-V2220 PolarHBondContact N-O 2.79Å; S2201-V2220 PolarHBondContact O-N 2.92Å; S2201-V2220 WeakPolarHBondContact OG-CB 3.27Å; S2201-V2220 WeakPolarHBondContact OG-CG2 3.19Å |
| 2202 | C | 68.6 | Low | 66.5 | Low | 27 Ų | 27 | 73.1 Ų | 73.1 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 116.1 | 166.3 | -173 | 0 | 0 | 0 | 0 | 108.1 | L2199 V2217 A2218 S2245 | L2199-C2202 HydrophobicContact CD2-CB 4.2Å; C2202-V2217 VanDerWaalsContact SG-CG1 3.57Å; C2202-A2218 WeakPolarHBondContact CA-O 3.34Å; C2202-S2245 PolarHBondContact SG-OG 3.16Å; C2202-S2245 VanDerWaalsContact SG-OG 3.42Å |
| 2203 | K | 75.1 | Confident | 66.3 | Low | 138 Ų | 138 | 79 Ų | 79 | 60% | 0.6 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 152.2 | -174.8 | -67.4 | -174.4 | -179.7 | -178.9 | 0 | 112.2 | V2217 A2218 | K2203-V2217 CarbonylContact O-C 3.53Å; K2203-A2218 PolarHBondContact N-O 2.86Å; K2203-A2218 PolarHBondContact O-N 2.71Å |
| 2204 | L | 72.1 | Confident | 65.9 | Low | 50 Ų | 50 | 79 Ų | 79 | 26% | 0.262 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 135.3 | 169.1 | -73.5 | 153.1 | 0 | 0 | 0 | 110.3 | F2206 V2215 Y2216 V2217 A2241 R2242 | L2204-F2206 HydrophobicContact CB-CE2 4.33Å; L2204-V2215 HydrophobicContact CD2-CG1 3.77Å; L2204-Y2216 CarbonylContact C-O 3.54Å; L2204-Y2216 WeakPolarHBondContact CA-O 3.4Å; L2204-V2217 HydrophobicContact CD2-CG2 4.22Å; L2204-A2241 HydrophobicContact CD2-CB 3.22Å; L2204-R2242 HydrophobicContact CD1-CG 3.55Å |
| 2205 | L | 74.5 | Confident | 65.8 | Low | 60 Ų | 60 | 78.7 Ų | 78.7 | 31% | 0.314 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.1 | 172.5 | -69.5 | 175 | 0 | 0 | 0 | 109.2 | V2215 Y2216 A2218 K2232 | L2205-V2215 CarbonylContact O-C 3.5Å; L2205-V2215 WeakPolarHBondContact O-CA 3.31Å; L2205-Y2216 PolarHBondContact N-O 3.04Å; L2205-Y2216 PolarHBondContact O-N 2.63Å; L2205-A2218 HydrophobicContact CD1-CB 3.61Å; L2205-A2218 HydrophobicContact CG-CB 4.04Å; L2205-K2232 HydrophobicContact CD1-CD 4.37Å; L2205-K2232 HydrophobicContact CD1-CG 4.39Å |
| 2206 | F | 73.2 | Confident | 65.5 | Low | 97 Ų | 97 | 78.6 Ų | 78.6 | 43% | 0.425 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124.5 | 174.4 | -59.4 | -93 | 0 | 0 | 0 | 107.9 | L2204 E2213 K2214 V2215 E2238 | L2204-F2206 HydrophobicContact CB-CE2 4.33Å; F2206-E2213 HydrophobicContact CB-CG 4.5Å; F2206-K2214 WeakPolarHBondContact CA-O 3.37Å; F2206-V2215 HydrophobicContact CD1-CG1 4.4Å; F2206-V2215 HydrophobicContact CD1-CG2 3.81Å; F2206-V2215 HydrophobicContact CE1-CG1 4.06Å; F2206-V2215 HydrophobicContact CE1-CG2 3.75Å; F2206-V2215 HydrophobicContact CZ-CG1 4.5Å; F2206-E2238 HydrophobicContact CE1-CG 3.92Å; F2206-E2238 HydrophobicContact CZ-CG 3.87Å |
| 2207 | E | 71.6 | Confident | 65.3 | Low | 84 Ų | 84 | 78.1 Ų | 78.1 | 39% | 0.393 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 120.2 | -179 | -145.6 | 163.1 | 175.9 | 0 | 0 | 108.4 | V2209 K2214 Y2216 K2232 | E2207-V2209 PolarHBondContact O-N 3.38Å; E2207-K2214 PolarHBondContact N-O 3.37Å; E2207-K2214 PolarHBondContact O-N 3.43Å; E2207-Y2216 HydrophobicContact CB-CD2 4.16Å; E2207-Y2216 HydrophobicContact CB-CE2 3.74Å; E2207-K2232 IonicContact OE1-NZ 3.12Å; E2207-K2232 IonicContact OE2-NZ 3.85Å; E2207-K2232 PolarHBondContact OE2-NZ 3.12Å |
| 2208 | I | 59.9 | Low | 65.3 | Low | 126 Ų | 126 | 73.9 Ų | 73.9 | 65% | 0.646 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 109.4 | 177.7 | -59.4 | 171.5 | 0 | 0 | 0 | 107.5 | G2210 E2213 | I2208-G2210 WeakPolarHBondContact CG2-O 3.48Å; I2208-E2213 HydrophobicContact CG1-CG 4.31Å |
| 2209 | V | 47.5 | Very low | 65.3 | Low | 82 Ų | 82 | 72.9 Ų | 72.9 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 103 | 176.4 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | E2207 N2211 K2212 K2214 | E2207-V2209 PolarHBondContact O-N 3.38Å; V2209-N2211 PolarHBondContact O-N 2.8Å; V2209-K2212 PolarHBondContact N-O 3.43Å; V2209-K2212 PolarHBondContact O-N 2.67Å; V2209-K2214 HydrophobicContact CG2-CD 4.24Å |
| 2210 | G | 59.1 | Low | 65.5 | Low | 63 Ų | 63 | 73.5 Ų | 73.5 | 65% | 0.649 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | -123.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I2208 | I2208-G2210 WeakPolarHBondContact CG2-O 3.48Š|
| 2211 | N | 46.3 | Very low | 65.2 | Low | 177 Ų | 177 | 65.3 Ų | 65.3 | 95% | 0.947 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 4.7 | 175.5 | -82.4 | -3.7 | 0 | 0 | 0 | 113.8 | V2209 | V2209-N2211 PolarHBondContact O-N 2.8Š|
| 2212 | K | 44.2 | Very low | 64.8 | Low | 160 Ų | 160 | 65.8 Ų | 65.8 | 70% | 0.696 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.5 | 179.3 | -69.6 | -175 | 178.4 | -179.9 | 0 | 110.7 | V2209 | V2209-K2212 PolarHBondContact N-O 3.43Å; V2209-K2212 PolarHBondContact O-N 2.67Å |
| 2213 | E | 60.4 | Low | 64.1 | Low | 131 Ų | 131 | 67.8 Ų | 67.8 | 61% | 0.612 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 121.8 | 171.6 | -167.4 | 174.1 | -154 | 0 | 0 | 109.1 | F2206 I2208 | F2206-E2213 HydrophobicContact CB-CG 4.5Å; I2208-E2213 HydrophobicContact CG1-CG 4.31Å |
| 2214 | K | 63.5 | Low | 62.9 | Low | 70 Ų | 70 | 64.6 Ų | 64.6 | 30% | 0.304 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 138.7 | 177.8 | -69.4 | -171.9 | 168.4 | -149.9 | 0 | 110.2 | F2206 E2207 V2209 Y2216 E2234 | F2206-K2214 WeakPolarHBondContact CA-O 3.37Å; E2207-K2214 PolarHBondContact N-O 3.37Å; E2207-K2214 PolarHBondContact O-N 3.43Å; V2209-K2214 HydrophobicContact CG2-CD 4.24Å; K2214-Y2216 HydrophobicContact CB-CD2 4.43Å; K2214-Y2216 HydrophobicContact CB-CE2 3.59Å; K2214-Y2216 HydrophobicContact CD-CE2 4.47Å; K2214-Y2216 WeakPolarHBondContact CD-OH 3.01Å; K2214-E2234 WeakPolarHBondContact CD-OE1 3.49Å; K2214-E2234 VanDerWaalsContact CE-OE1 3.26Å; K2214-E2234 WeakPolarHBondContact CE-OE1 3.4Å; K2214-E2234 VanDerWaalsContact NZ-CD 3.34Å; K2214-E2234 IonicContact NZ-OE1 2.82Å; K2214-E2234 PolarHBondContact NZ-OE1 3.32Å; K2214-E2234 IonicContact NZ-OE2 3.52Å; K2214-E2234 PolarHBondContact NZ-OE2 3.18Å; K2214-E2234 VanDerWaalsContact NZ-OE2 3.14Å |
| 2215 | V | 69.3 | Low | 61.8 | Low | 14 Ų | 14 | 70.1 Ų | 70.1 | 9% | 0.085 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.3 | 178.1 | -171 | 0 | 0 | 0 | 0 | 109.4 | L2204 L2205 F2206 C2235 E2238 A2241 | L2204-V2215 HydrophobicContact CD2-CG1 3.77Å; L2205-V2215 CarbonylContact O-C 3.5Å; L2205-V2215 WeakPolarHBondContact O-CA 3.31Å; F2206-V2215 HydrophobicContact CD1-CG1 4.4Å; F2206-V2215 HydrophobicContact CD1-CG2 3.81Å; F2206-V2215 HydrophobicContact CE1-CG1 4.06Å; F2206-V2215 HydrophobicContact CE1-CG2 3.75Å; F2206-V2215 HydrophobicContact CZ-CG1 4.5Å; V2215-C2235 PolarHBondContact O-N 3.3Å; V2215-E2238 HydrophobicContact CG2-CB 4.34Å; V2215-A2241 HydrophobicContact CG1-CB 3.73Å |
| 2216 | Y | 68.3 | Low | 60.6 | Low | 27 Ų | 27 | 73.3 Ų | 73.3 | 11% | 0.106 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 142 | 178 | -61.2 | -93 | 0 | 0 | 0 | 111.1 | L2204 L2205 E2207 K2214 K2232 I2233 E2234 | L2204-Y2216 CarbonylContact C-O 3.54Å; L2204-Y2216 WeakPolarHBondContact CA-O 3.4Å; L2205-Y2216 PolarHBondContact N-O 3.04Å; L2205-Y2216 PolarHBondContact O-N 2.63Å; E2207-Y2216 HydrophobicContact CB-CD2 4.16Å; E2207-Y2216 HydrophobicContact CB-CE2 3.74Å; K2214-Y2216 HydrophobicContact CB-CD2 4.43Å; K2214-Y2216 HydrophobicContact CB-CE2 3.59Å; K2214-Y2216 HydrophobicContact CD-CE2 4.47Å; K2214-Y2216 WeakPolarHBondContact CD-OH 3.01Å; Y2216-K2232 HydrophobicContact CD1-CB 4.2Å; Y2216-I2233 CarbonylContact C-O 3.5Å; Y2216-I2233 WeakPolarHBondContact CA-O 3.41Å; Y2216-E2234 HydrophobicContact CD1-CB 3.79Å; Y2216-E2234 HydrophobicContact CD1-CG 4.17Å; Y2216-E2234 HydrophobicContact CE1-CB 3.52Å; Y2216-E2234 HydrophobicContact CE1-CG 3.65Å; Y2216-E2234 WeakPolarHBondContact CE1-OE2 3.22Å; Y2216-E2234 PolarHBondContact OH-OE2 3.45Å |
| 2217 | V | 65.7 | Low | 59.3 | Low | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 110.1 | 162.7 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | C2202 K2203 L2204 I2219 I2233 A2241 | C2202-V2217 VanDerWaalsContact SG-CG1 3.57Å; K2203-V2217 CarbonylContact O-C 3.53Å; L2204-V2217 HydrophobicContact CD2-CG2 4.22Å; V2217-I2219 HydrophobicContact CG1-CG1 4.26Å; V2217-I2233 HydrophobicContact CB-CB 4.27Å; V2217-I2233 PolarHBondContact N-O 2.81Å; V2217-I2233 PolarHBondContact O-N 2.8Å; V2217-A2241 HydrophobicContact CG2-CB 3.69Å; V2217-A2241 VanDerWaalsContact CG2-O 3.28Å; V2217-A2241 WeakPolarHBondContact CG2-O 3.49Å |
| 2218 | A | 70.7 | Confident | 58.1 | Low | 3 Ų | 3 | 73.3 Ų | 73.3 | 3% | 0.025 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 110.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | C2202 K2203 L2205 Q2230 L2231 | C2202-A2218 WeakPolarHBondContact CA-O 3.34Å; K2203-A2218 PolarHBondContact N-O 2.86Å; K2203-A2218 PolarHBondContact O-N 2.71Å; L2205-A2218 HydrophobicContact CD1-CB 3.61Å; L2205-A2218 HydrophobicContact CG-CB 4.04Å; A2218-Q2230 HydrophobicContact CB-CG 4.38Å; A2218-L2231 CarbonylContact C-O 3.55Å; A2218-L2231 WeakPolarHBondContact CA-O 3.18Å |
| 2219 | I | 68.9 | Low | 57.9 | Low | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 119.6 | 172.1 | -50.6 | 171.4 | 0 | 0 | 0 | 108 | F2171 L2199 V2217 F2221 Q2230 L2231 I2233 I2248 | F2171-I2219 HydrophobicContact CE2-CD1 4.38Å; F2171-I2219 HydrophobicContact CZ-CD1 4.48Å; L2199-I2219 HydrophobicContact CD1-CG2 3.59Å; L2199-I2219 HydrophobicContact CD2-CG2 4.45Å; L2199-I2219 HydrophobicContact CG-CG2 3.97Å; V2217-I2219 HydrophobicContact CG1-CG1 4.26Å; I2219-F2221 HydrophobicContact CG2-CD1 4.12Å; I2219-Q2230 WeakPolarHBondContact O-CA 2.98Å; I2219-L2231 PolarHBondContact N-O 2.82Å; I2219-L2231 PolarHBondContact O-N 2.77Å; I2219-I2233 HydrophobicContact CD1-CD1 3.51Å; I2219-I2233 HydrophobicContact CD1-CG1 4.47Å; I2219-I2233 HydrophobicContact CG1-CD1 4.25Å; I2219-I2248 HydrophobicContact CD1-CD1 3.55Å; I2219-I2248 HydrophobicContact CG1-CD1 4.22Å |
| 2220 | V | 72.3 | Confident | 58.7 | Low | 20 Ų | 20 | 73.3 Ų | 73.3 | 12% | 0.121 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120.3 | 175.7 | -175.3 | 0 | 0 | 0 | 0 | 108 | R2200 S2201 V2228 H2229 Q2230 | R2200-V2220 HydrophobicContact CB-CG1 4.2Å; R2200-V2220 PolarHBondContact N-O 2.84Å; S2201-V2220 PolarHBondContact N-O 2.79Å; S2201-V2220 PolarHBondContact O-N 2.92Å; S2201-V2220 WeakPolarHBondContact OG-CB 3.27Å; S2201-V2220 WeakPolarHBondContact OG-CG2 3.19Å; V2220-V2228 HydrophobicContact CG1-CG1 3.25Å; V2220-H2229 VanDerWaalsContact CA-O 3.32Å; V2220-H2229 WeakPolarHBondContact CA-O 3.49Å; V2220-Q2230 HydrophobicContact CG2-CB 4.21Å; V2220-Q2230 HydrophobicContact CG2-CG 4.01Å |
| 2221 | F | 66.5 | Low | 59 | Low | 7 Ų | 7 | 72.1 Ų | 72.1 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 152.5 | 179 | 58.9 | -90.6 | 0 | 0 | 0 | 111.5 | F2178 A2192 N2194 A2198 I2219 I2223 H2229 L2231 | F2178-F2221 HydrophobicContact CE2-CD1 4.45Å; F2178-F2221 HydrophobicContact CE2-CG 4.29Å; F2178-F2221 HydrophobicContact CZ-CB 4.01Å; F2178-F2221 HydrophobicContact CZ-CG 4.14Å; A2192-F2221 HydrophobicContact CB-CE2 4.29Å; N2194-F2221 WeakPolarHBondContact ND2-CD2 3.41Å; A2198-F2221 WeakPolarHBondContact O-CA 3.36Å; I2219-F2221 HydrophobicContact CG2-CD1 4.12Å; F2221-I2223 HydrophobicContact CD2-CG1 4.04Å; F2221-I2223 HydrophobicContact CE2-CD1 4.1Å; F2221-I2223 HydrophobicContact CE2-CG1 3.76Å; F2221-H2229 HydrophobicContact CE2-CB 4.15Å; F2221-H2229 HydrophobicContact CZ-CB 4.15Å; F2221-H2229 PolarHBondContact N-O 2.78Å; F2221-H2229 PolarHBondContact O-N 2.78Å; F2221-L2231 HydrophobicContact CE1-CB 4.06Å; F2221-L2231 HydrophobicContact CE1-CD1 4.33Å |
| 2222 | N | 63.1 | Low | 59.9 | Low | 45 Ų | 45 | 68.3 Ų | 68.3 | 24% | 0.241 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 134.7 | 172.1 | -79.9 | 5.2 | 0 | 0 | 0 | 109.7 | A2198 E2227 | A2198-N2222 PolarHBondContact O-N 3.14Å; N2222-E2227 WeakPolarHBondContact CA-O 3.27Å |
| 2223 | I | 53.4 | Low | 60.8 | Low | 69 Ų | 69 | 61.2 Ų | 61.2 | 35% | 0.354 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -94 | -37.9 | 168.1 | -59.8 | 175.3 | 0 | 0 | 0 | 109.5 | F2221 E2227 H2229 | F2221-I2223 HydrophobicContact CD2-CG1 4.04Å; F2221-I2223 HydrophobicContact CE2-CD1 4.1Å; F2221-I2223 HydrophobicContact CE2-CG1 3.76Å; I2223-E2227 PolarHBondContact N-O 3.16Å; I2223-H2229 HydrophobicContact CD1-CB 4.39Å; I2223-H2229 VanDerWaalsContact CD1-CD2 3.41Å; I2223-H2229 WeakPolarHBondContact CD1-CD2 3.15Å |
| 2224 | T | 50.3 | Low | 60.9 | Low | 71 Ų | 71 | 59.9 Ų | 59.9 | 44% | 0.436 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -129.3 | 165.5 | 172.6 | 58.8 | 0 | 0 | 0 | 0 | 108.5 | V2226 E2227 | T2224-V2226 PolarHBondContact O-N 3.08Å; T2224-E2227 PolarHBondContact O-N 3.48Å; T2224-E2227 PolarHBondContact OG1-N 3.41Å; T2224-E2227 VanDerWaalsContact OG1-N 3.14Å |
| 2225 | D | 49.9 | Very low | 60.7 | Low | 165 Ų | 165 | 57.1 Ų | 57.1 | 88% | 0.882 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -59.8 | -1.7 | 175.9 | -74.9 | -32.2 | 0 | 0 | 0 | 114.1 | ||
| 2226 | V | 48.5 | Very low | 60.1 | Low | 128 Ų | 128 | 66.7 Ų | 66.7 | 78% | 0.776 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -121.2 | -36.7 | -176.5 | -169.3 | 0 | 0 | 0 | 0 | 112.9 | T2224 | T2224-V2226 PolarHBondContact O-N 3.08Š|
| 2227 | E | 46.2 | Very low | 59.7 | Low | 116 Ų | 116 | 68.7 Ų | 68.7 | 54% | 0.542 | 35% | 0.349 | S | S | . | . | trans | -97.5 | 118 | -175.9 | -75.8 | -175.8 | 156.9 | 0 | 0 | 113.8 | N2222 I2223 T2224 | N2222-E2227 WeakPolarHBondContact CA-O 3.27Å; I2223-E2227 PolarHBondContact N-O 3.16Å; T2224-E2227 PolarHBondContact O-N 3.48Å; T2224-E2227 PolarHBondContact OG1-N 3.41Å; T2224-E2227 VanDerWaalsContact OG1-N 3.14Å | ||
| 2228 | V | 45.8 | Very low | 59.7 | Low | 64 Ų | 64 | 72 Ų | 72 | 39% | 0.388 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 124.9 | 172.8 | -177.1 | 0 | 0 | 0 | 0 | 109 | V2220 | V2220-V2228 HydrophobicContact CG1-CG1 3.25Å |
| 2229 | H | 56 | Low | 59 | Low | 98 Ų | 98 | 76.4 Ų | 76.4 | 45% | 0.454 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 135.6 | 168 | -90.1 | 4.7 | 0 | 0 | 0 | 110.9 | V2220 F2221 I2223 | V2220-H2229 VanDerWaalsContact CA-O 3.32Å; V2220-H2229 WeakPolarHBondContact CA-O 3.49Å; F2221-H2229 HydrophobicContact CE2-CB 4.15Å; F2221-H2229 HydrophobicContact CZ-CB 4.15Å; F2221-H2229 PolarHBondContact N-O 2.78Å; F2221-H2229 PolarHBondContact O-N 2.78Å; I2223-H2229 HydrophobicContact CD1-CB 4.39Å; I2223-H2229 VanDerWaalsContact CD1-CD2 3.41Å; I2223-H2229 WeakPolarHBondContact CD1-CD2 3.15Å |
| 2230 | Q | 65.2 | Low | 58.5 | Low | 111 Ų | 111 | 78.5 Ų | 78.5 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 120.5 | 173.1 | -179.4 | 176.6 | -0.3 | 0 | 0 | 108.8 | A2218 I2219 V2220 | A2218-Q2230 HydrophobicContact CB-CG 4.38Å; I2219-Q2230 WeakPolarHBondContact O-CA 2.98Å; V2220-Q2230 HydrophobicContact CG2-CB 4.21Å; V2220-Q2230 HydrophobicContact CG2-CG 4.01Å |
| 2231 | L | 64.4 | Low | 58 | Low | 38 Ų | 38 | 77.5 Ų | 77.5 | 20% | 0.199 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 115.5 | 176.3 | -157.4 | 128.9 | 0 | 0 | 0 | 107.9 | L2161 A2218 I2219 F2221 I2233 | L2161-L2231 HydrophobicContact CD1-CD1 4.22Å; L2161-L2231 HydrophobicContact CD1-CD2 3.68Å; L2161-L2231 HydrophobicContact CD2-CD2 3.6Å; L2161-L2231 HydrophobicContact CG-CD2 4.27Å; A2218-L2231 CarbonylContact C-O 3.55Å; A2218-L2231 WeakPolarHBondContact CA-O 3.18Å; I2219-L2231 PolarHBondContact N-O 2.82Å; I2219-L2231 PolarHBondContact O-N 2.77Å; F2221-L2231 HydrophobicContact CE1-CB 4.06Å; F2221-L2231 HydrophobicContact CE1-CD1 4.33Å; L2231-I2233 HydrophobicContact CD2-CD1 4.19Å; L2231-I2233 HydrophobicContact CD2-CG1 3.78Å |
| 2232 | K | 66.2 | Low | 58 | Low | 96 Ų | 96 | 82.7 Ų | 82.7 | 42% | 0.417 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 121 | 176.3 | -70.8 | -174 | 175.6 | -172.6 | 0 | 109 | L2205 E2207 Y2216 | L2205-K2232 HydrophobicContact CD1-CD 4.37Å; L2205-K2232 HydrophobicContact CD1-CG 4.39Å; E2207-K2232 IonicContact OE1-NZ 3.12Å; E2207-K2232 IonicContact OE2-NZ 3.85Å; E2207-K2232 PolarHBondContact OE2-NZ 3.12Å; Y2216-K2232 HydrophobicContact CD1-CB 4.2Å |
| 2233 | I | 62.8 | Low | 57.7 | Low | 11 Ų | 11 | 83 Ų | 83 | 6% | 0.056 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 111.1 | 177.3 | -52.8 | -179.5 | 0 | 0 | 0 | 108 | L2159 L2161 Y2216 V2217 I2219 L2231 | L2159-I2233 HydrophobicContact CD2-CD1 4.04Å; L2159-I2233 HydrophobicContact CD2-CG2 3.71Å; L2161-I2233 HydrophobicContact CD2-CB 4.45Å; L2161-I2233 HydrophobicContact CD2-CD1 3.84Å; L2161-I2233 HydrophobicContact CD2-CG1 3.62Å; L2161-I2233 HydrophobicContact CD2-CG2 4.28Å; Y2216-I2233 CarbonylContact C-O 3.5Å; Y2216-I2233 WeakPolarHBondContact CA-O 3.41Å; V2217-I2233 HydrophobicContact CB-CB 4.27Å; V2217-I2233 PolarHBondContact N-O 2.81Å; V2217-I2233 PolarHBondContact O-N 2.8Å; I2219-I2233 HydrophobicContact CD1-CD1 3.51Å; I2219-I2233 HydrophobicContact CD1-CG1 4.47Å; I2219-I2233 HydrophobicContact CG1-CD1 4.25Å; L2231-I2233 HydrophobicContact CD2-CD1 4.19Å; L2231-I2233 HydrophobicContact CD2-CG1 3.78Å |
| 2234 | E | 62.6 | Low | 58.1 | Low | 103 Ų | 103 | 80.4 Ų | 80.4 | 48% | 0.481 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 133.5 | 174.2 | -165.5 | 167.2 | 148 | 0 | 0 | 110.1 | K2214 Y2216 | K2214-E2234 WeakPolarHBondContact CD-OE1 3.49Å; K2214-E2234 VanDerWaalsContact CE-OE1 3.26Å; K2214-E2234 WeakPolarHBondContact CE-OE1 3.4Å; K2214-E2234 VanDerWaalsContact NZ-CD 3.34Å; K2214-E2234 IonicContact NZ-OE1 2.82Å; K2214-E2234 PolarHBondContact NZ-OE1 3.32Å; K2214-E2234 IonicContact NZ-OE2 3.52Å; K2214-E2234 PolarHBondContact NZ-OE2 3.18Å; K2214-E2234 VanDerWaalsContact NZ-OE2 3.14Å; Y2216-E2234 HydrophobicContact CD1-CB 3.79Å; Y2216-E2234 HydrophobicContact CD1-CG 4.17Å; Y2216-E2234 HydrophobicContact CE1-CB 3.52Å; Y2216-E2234 HydrophobicContact CE1-CG 3.65Å; Y2216-E2234 WeakPolarHBondContact CE1-OE2 3.22Å; Y2216-E2234 PolarHBondContact OH-OE2 3.45Å |
| 2235 | C | 59.5 | Low | 58.9 | Low | 13 Ų | 13 | 78.1 Ų | 78.1 | 9% | 0.088 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 142.6 | 179.1 | -71.3 | 0 | 0 | 0 | 0 | 110.3 | V2215 N2237 A2241 | V2215-C2235 PolarHBondContact O-N 3.3Å; C2235-N2237 VanDerWaalsContact C-N 3.28Å; C2235-N2237 PolarHBondContact O-N 2.8Å; C2235-A2241 HydrophobicContact CB-CB 3.6Å |
| 2236 | F | 55.1 | Low | 59.6 | Low | 214 Ų | 214 | 72.3 Ų | 72.3 | 94% | 0.939 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -61 | -34.4 | 178.5 | -90 | -83.1 | 0 | 0 | 0 | 113.3 | I2240 | F2236-I2240 HydrophobicContact CB-CD1 4.35Š|
| 2237 | N | 60 | Low | 60 | Low | 69 Ų | 69 | 68.2 Ų | 68.2 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -150 | 171.6 | 176.1 | 75 | 6.1 | 0 | 0 | 0 | 111.6 | C2235 D2239 I2240 A2241 | C2235-N2237 VanDerWaalsContact C-N 3.28Å; C2235-N2237 PolarHBondContact O-N 2.8Å; N2237-D2239 PolarHBondContact OD1-N 3.45Å; N2237-I2240 VanDerWaalsContact OD1-CB 3.29Å; N2237-I2240 WeakPolarHBondContact OD1-CB 3.21Å; N2237-I2240 WeakPolarHBondContact OD1-CD1 3.37Å; N2237-I2240 WeakPolarHBondContact OD1-CG1 3.47Å; N2237-I2240 PolarHBondContact OD1-N 3.46Å; N2237-A2241 WeakPolarHBondContact O-CB 3.35Å; N2237-A2241 PolarHBondContact O-N 2.99Å |
| 2238 | E | 65.7 | Low | 60.9 | Low | 70 Ų | 70 | 63 Ų | 63 | 33% | 0.327 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.4 | -35 | -178.5 | -161.8 | -170.9 | 167.8 | 0 | 0 | 113.6 | F2206 V2215 A2241 R2242 | F2206-E2238 HydrophobicContact CE1-CG 3.92Å; F2206-E2238 HydrophobicContact CZ-CG 3.87Å; V2215-E2238 HydrophobicContact CG2-CB 4.34Å; E2238-A2241 WeakPolarHBondContact O-CB 3.22Å; E2238-A2241 PolarHBondContact O-N 3.26Å; E2238-R2242 WeakPolarHBondContact O-CG 3.38Å; E2238-R2242 PolarHBondContact O-N 2.96Å; E2238-R2242 IonicContact OE1-CZ 3.17Å; E2238-R2242 VanDerWaalsContact OE1-CZ 3.26Å; E2238-R2242 IonicContact OE1-NE 2.67Å; E2238-R2242 PolarHBondContact OE1-NE 3.13Å; E2238-R2242 IonicContact OE1-NH2 3.81Å; E2238-R2242 PolarHBondContact OE1-NH2 3.2Å; E2238-R2242 IonicContact OE2-CZ 3.82Å; E2238-R2242 IonicContact OE2-NH2 2.93Å; E2238-R2242 PolarHBondContact OE2-NH2 2.98Å; E2238-R2242 VanDerWaalsContact OE2-NH2 3.1Å |
| 2239 | D | 57 | Low | 61.8 | Low | 95 Ų | 95 | 61.7 Ų | 61.7 | 51% | 0.508 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.5 | -41.6 | -176.6 | -67.9 | -38.7 | 0 | 0 | 0 | 112.6 | N2237 A2241 R2242 T2243 | N2237-D2239 PolarHBondContact OD1-N 3.45Å; D2239-A2241 VanDerWaalsContact C-N 3.29Å; D2239-A2241 PolarHBondContact O-N 2.98Å; D2239-R2242 PolarHBondContact O-N 3.37Å; D2239-R2242 IonicContact OD1-CZ 2.81Å; D2239-R2242 IonicContact OD1-NH1 2.66Å; D2239-R2242 PolarHBondContact OD1-NH1 2.69Å; D2239-T2243 WeakPolarHBondContact O-CB 3.43Å; D2239-T2243 PolarHBondContact O-N 3.22Å; D2239-T2243 PolarHBondContact O-OG1 2.79Å |
| 2240 | I | 57.4 | Low | 61.9 | Low | 45 Ų | 45 | 59 Ų | 59 | 23% | 0.231 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 172.4 | -66.7 | 165.5 | 0 | 0 | 0 | 109.3 | F2236 N2237 R2242 T2243 Q2244 | F2236-I2240 HydrophobicContact CB-CD1 4.35Å; N2237-I2240 VanDerWaalsContact OD1-CB 3.29Å; N2237-I2240 WeakPolarHBondContact OD1-CB 3.21Å; N2237-I2240 WeakPolarHBondContact OD1-CD1 3.37Å; N2237-I2240 WeakPolarHBondContact OD1-CG1 3.47Å; N2237-I2240 PolarHBondContact OD1-N 3.46Å; I2240-R2242 PolarHBondContact O-N 2.97Å; I2240-T2243 PolarHBondContact O-N 3.38Å; I2240-Q2244 HydrophobicContact CG2-CG 4.39Å; I2240-Q2244 WeakPolarHBondContact O-CG 3.25Å; I2240-Q2244 PolarHBondContact O-N 3.49Å |
| 2241 | A | 63.1 | Low | 61.5 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L2204 V2215 V2217 C2235 N2237 E2238 D2239 S2245 | L2204-A2241 HydrophobicContact CD2-CB 3.22Å; V2215-A2241 HydrophobicContact CG1-CB 3.73Å; V2217-A2241 HydrophobicContact CG2-CB 3.69Å; V2217-A2241 VanDerWaalsContact CG2-O 3.28Å; V2217-A2241 WeakPolarHBondContact CG2-O 3.49Å; C2235-A2241 HydrophobicContact CB-CB 3.6Å; N2237-A2241 WeakPolarHBondContact O-CB 3.35Å; N2237-A2241 PolarHBondContact O-N 2.99Å; E2238-A2241 WeakPolarHBondContact O-CB 3.22Å; E2238-A2241 PolarHBondContact O-N 3.26Å; D2239-A2241 VanDerWaalsContact C-N 3.29Å; D2239-A2241 PolarHBondContact O-N 2.98Å; A2241-S2245 WeakPolarHBondContact O-CB 3.07Å; A2241-S2245 PolarHBondContact O-N 3.2Å |
| 2242 | R | 66 | Low | 61.2 | Low | 115 Ų | 115 | 54.7 Ų | 54.7 | 43% | 0.434 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 172.6 | -76.2 | -176.8 | -154.1 | 137.1 | -8.2 | 111.9 | L2204 E2238 D2239 I2240 S2245 S2246 | L2204-R2242 HydrophobicContact CD1-CG 3.55Å; E2238-R2242 WeakPolarHBondContact O-CG 3.38Å; E2238-R2242 PolarHBondContact O-N 2.96Å; E2238-R2242 IonicContact OE1-CZ 3.17Å; E2238-R2242 VanDerWaalsContact OE1-CZ 3.26Å; E2238-R2242 IonicContact OE1-NE 2.67Å; E2238-R2242 PolarHBondContact OE1-NE 3.13Å; E2238-R2242 IonicContact OE1-NH2 3.81Å; E2238-R2242 PolarHBondContact OE1-NH2 3.2Å; E2238-R2242 IonicContact OE2-CZ 3.82Å; E2238-R2242 IonicContact OE2-NH2 2.93Å; E2238-R2242 PolarHBondContact OE2-NH2 2.98Å; E2238-R2242 VanDerWaalsContact OE2-NH2 3.1Å; D2239-R2242 PolarHBondContact O-N 3.37Å; D2239-R2242 IonicContact OD1-CZ 2.81Å; D2239-R2242 IonicContact OD1-NH1 2.66Å; D2239-R2242 PolarHBondContact OD1-NH1 2.69Å; I2240-R2242 PolarHBondContact O-N 2.97Å; R2242-S2245 PolarHBondContact O-N 3.11Å; R2242-S2246 WeakPolarHBondContact O-CB 3.5Å; R2242-S2246 PolarHBondContact O-N 3.45Å |
| 2243 | T | 57.6 | Low | 60.6 | Low | 52 Ų | 52 | 54.4 Ų | 54.4 | 32% | 0.319 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -49.6 | -179.6 | -51.3 | 0 | 0 | 0 | 0 | 110.3 | D2239 I2240 S2245 S2246 T2247 | D2239-T2243 WeakPolarHBondContact O-CB 3.43Å; D2239-T2243 PolarHBondContact O-N 3.22Å; D2239-T2243 PolarHBondContact O-OG1 2.79Å; I2240-T2243 PolarHBondContact O-N 3.38Å; T2243-S2245 PolarHBondContact O-N 2.9Å; T2243-S2246 WeakPolarHBondContact O-CB 3.29Å; T2243-S2246 PolarHBondContact O-N 3.08Å; T2243-S2246 VanDerWaalsContact O-N 3.1Å; T2243-S2246 PolarHBondContact O-OG 3.22Å; T2243-T2247 PolarHBondContact O-N 3.33Å; T2243-T2247 PolarHBondContact O-OG1 2.88Å |
| 2244 | Q | 61.5 | Low | 59.9 | Low | 15 Ų | 15 | 57.1 Ų | 57.1 | 7% | 0.07 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 176.7 | -70.9 | -176.2 | 3.7 | 0 | 0 | 112.7 | F2123 N2124 I2240 S2246 T2247 I2248 | F2123-Q2244 HydrophobicContact CB-CG 4.22Å; N2124-Q2244 PolarHBondContact OD1-NE2 2.98Å; I2240-Q2244 HydrophobicContact CG2-CG 4.39Å; I2240-Q2244 WeakPolarHBondContact O-CG 3.25Å; I2240-Q2244 PolarHBondContact O-N 3.49Å; Q2244-S2246 VanDerWaalsContact C-N 3.29Å; Q2244-S2246 PolarHBondContact O-N 3.47Å; Q2244-T2247 PolarHBondContact O-N 2.82Å; Q2244-I2248 VanDerWaalsContact O-CG1 3.3Å; Q2244-I2248 WeakPolarHBondContact O-CG1 3.22Å; Q2244-I2248 PolarHBondContact O-N 2.99Å |
| 2245 | S | 66.5 | Low | 59.3 | Low | 22 Ų | 22 | 54.8 Ų | 54.8 | 15% | 0.154 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.8 | -42 | 174.8 | -179 | 0 | 0 | 0 | 0 | 111.7 | C2202 A2241 R2242 T2243 A2249 | C2202-S2245 PolarHBondContact SG-OG 3.16Å; C2202-S2245 VanDerWaalsContact SG-OG 3.42Å; A2241-S2245 WeakPolarHBondContact O-CB 3.07Å; A2241-S2245 PolarHBondContact O-N 3.2Å; R2242-S2245 PolarHBondContact O-N 3.11Å; T2243-S2245 PolarHBondContact O-N 2.9Å; S2245-A2249 VanDerWaalsContact O-CB 3.29Å; S2245-A2249 WeakPolarHBondContact O-CB 3.11Å; S2245-A2249 PolarHBondContact O-N 3.13Å |
| 2246 | S | 64.6 | Low | 58.8 | Low | 44 Ų | 44 | 61.4 Ų | 61.4 | 31% | 0.308 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 178 | 80.5 | 0 | 0 | 0 | 0 | 113 | R2242 T2243 Q2244 A2249 S2250 | R2242-S2246 WeakPolarHBondContact O-CB 3.5Å; R2242-S2246 PolarHBondContact O-N 3.45Å; T2243-S2246 WeakPolarHBondContact O-CB 3.29Å; T2243-S2246 PolarHBondContact O-N 3.08Å; T2243-S2246 VanDerWaalsContact O-N 3.1Å; T2243-S2246 PolarHBondContact O-OG 3.22Å; Q2244-S2246 VanDerWaalsContact C-N 3.29Å; Q2244-S2246 PolarHBondContact O-N 3.47Å; S2246-A2249 PolarHBondContact O-N 2.78Å; S2246-S2250 WeakPolarHBondContact O-CB 2.9Å; S2246-S2250 PolarHBondContact O-N 2.84Å |
| 2247 | T | 57.6 | Low | 58.4 | Low | 42 Ų | 42 | 61.2 Ų | 61.2 | 26% | 0.258 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 179 | -42.5 | 0 | 0 | 0 | 0 | 110.8 | F2123 T2243 Q2244 S2250 G2251 | F2123-T2247 HydrophobicContact CD1-CG2 4.46Å; T2243-T2247 PolarHBondContact O-N 3.33Å; T2243-T2247 PolarHBondContact O-OG1 2.88Å; Q2244-T2247 PolarHBondContact O-N 2.82Å; T2247-S2250 WeakPolarHBondContact O-CB 3.1Å; T2247-S2250 PolarHBondContact O-N 3.01Å; T2247-S2250 PolarHBondContact O-OG 3.42Å; T2247-G2251 PolarHBondContact O-N 3.4Å; T2247-G2251 VanDerWaalsContact O-N 3.13Å |
| 2248 | I | 63.7 | Low | 57.5 | Low | 6 Ų | 6 | 62.3 Ų | 62.3 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 176.5 | -64.4 | 167.1 | 0 | 0 | 0 | 110.7 | F2123 L2199 I2219 Q2244 S2250 G2251 | F2123-I2248 HydrophobicContact CE1-CG1 4.19Å; L2199-I2248 HydrophobicContact CD1-CG2 3.81Å; L2199-I2248 HydrophobicContact CD2-CG2 4.06Å; I2219-I2248 HydrophobicContact CD1-CD1 3.55Å; I2219-I2248 HydrophobicContact CG1-CD1 4.22Å; Q2244-I2248 VanDerWaalsContact O-CG1 3.3Å; Q2244-I2248 WeakPolarHBondContact O-CG1 3.22Å; Q2244-I2248 PolarHBondContact O-N 2.99Å; I2248-S2250 VanDerWaalsContact C-N 3.32Å; I2248-S2250 PolarHBondContact O-N 3.18Å; I2248-G2251 PolarHBondContact O-N 2.96Å |
| 2249 | A | 65.1 | Low | 56.1 | Low | 37 Ų | 37 | 62.6 Ų | 62.6 | 31% | 0.306 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.7 | -34.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S2245 S2246 G2251 Q2252 L2253 | S2245-A2249 VanDerWaalsContact O-CB 3.29Å; S2245-A2249 WeakPolarHBondContact O-CB 3.11Å; S2245-A2249 PolarHBondContact O-N 3.13Å; S2246-A2249 PolarHBondContact O-N 2.78Å; A2249-G2251 VanDerWaalsContact C-N 3.27Å; A2249-G2251 PolarHBondContact O-N 3.47Å; A2249-Q2252 WeakPolarHBondContact O-CB 3.48Å; A2249-Q2252 PolarHBondContact O-N 3.07Å; A2249-L2253 PolarHBondContact O-N 2.86Å |
| 2250 | S | 58.5 | Low | 54.9 | Low | 42 Ų | 42 | 60.2 Ų | 60.2 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.4 | -34.1 | 174.8 | 81.5 | 0 | 0 | 0 | 0 | 111.7 | S2246 T2247 I2248 Q2252 L2253 T2254 | S2246-S2250 WeakPolarHBondContact O-CB 2.9Å; S2246-S2250 PolarHBondContact O-N 2.84Å; T2247-S2250 WeakPolarHBondContact O-CB 3.1Å; T2247-S2250 PolarHBondContact O-N 3.01Å; T2247-S2250 PolarHBondContact O-OG 3.42Å; I2248-S2250 VanDerWaalsContact C-N 3.32Å; I2248-S2250 PolarHBondContact O-N 3.18Å; S2250-Q2252 PolarHBondContact O-N 2.95Å; S2250-L2253 WeakPolarHBondContact O-CB 3.48Å; S2250-L2253 PolarHBondContact O-N 2.69Å; S2250-L2253 VanDerWaalsContact O-N 3.14Å; S2250-T2254 PolarHBondContact O-N 2.87Å; S2250-T2254 PolarHBondContact O-OG1 2.73Å |
| 2251 | G | 56.1 | Low | 53.5 | Low | 6 Ų | 6 | 66.7 Ų | 66.7 | 6% | 0.062 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -54.8 | -47.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | T2247 I2248 A2249 L2253 T2254 E2255 | T2247-G2251 PolarHBondContact O-N 3.4Å; T2247-G2251 VanDerWaalsContact O-N 3.13Å; I2248-G2251 PolarHBondContact O-N 2.96Å; A2249-G2251 VanDerWaalsContact C-N 3.27Å; A2249-G2251 PolarHBondContact O-N 3.47Å; G2251-L2253 PolarHBondContact O-N 3.05Å; G2251-T2254 WeakPolarHBondContact CA-OG1 3.23Å; G2251-T2254 PolarHBondContact O-N 2.67Å; G2251-T2254 PolarHBondContact O-OG1 3.24Å; G2251-E2255 PolarHBondContact O-N 2.84Å; G2251-E2255 VanDerWaalsContact O-N 3.12Å |
| 2252 | Q | 58.1 | Low | 51.6 | Low | 52 Ų | 52 | 71.1 Ų | 71.1 | 24% | 0.243 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 173.4 | -77.3 | -169.5 | -56.7 | 0 | 0 | 112.3 | Y2196 L2199 A2249 S2250 T2254 E2255 E2256 | Y2196-Q2252 WeakPolarHBondContact O-CG 3.3Å; Y2196-Q2252 PolarHBondContact O-NE2 3.08Å; L2199-Q2252 HydrophobicContact CB-CG 4.45Å; L2199-Q2252 PolarHBondContact O-NE2 2.95Å; A2249-Q2252 WeakPolarHBondContact O-CB 3.48Å; A2249-Q2252 PolarHBondContact O-N 3.07Å; S2250-Q2252 PolarHBondContact O-N 2.95Å; Q2252-T2254 VanDerWaalsContact C-N 3.31Å; Q2252-T2254 PolarHBondContact O-N 2.86Å; Q2252-E2255 PolarHBondContact O-N 3.08Å; Q2252-E2255 VanDerWaalsContact O-N 3.16Å; Q2252-E2256 PolarHBondContact O-N 2.95Å |
| 2253 | L | 54.6 | Low | 49.8 | Very low | 90 Ų | 90 | 72 Ų | 72 | 47% | 0.471 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 177.9 | -91.6 | 151 | 0 | 0 | 0 | 112.5 | A2249 S2250 G2251 R2257 | A2249-L2253 PolarHBondContact O-N 2.86Å; S2250-L2253 WeakPolarHBondContact O-CB 3.48Å; S2250-L2253 PolarHBondContact O-N 2.69Å; S2250-L2253 VanDerWaalsContact O-N 3.14Å; G2251-L2253 PolarHBondContact O-N 3.05Å; L2253-R2257 WeakPolarHBondContact O-CB 3.03Å; L2253-R2257 VanDerWaalsContact O-CG 3.28Å; L2253-R2257 WeakPolarHBondContact O-CG 3.18Å; L2253-R2257 PolarHBondContact O-N 3.4Å |
| 2254 | T | 48.3 | Very low | 48.2 | Very low | 68 Ų | 68 | 73.9 Ų | 73.9 | 42% | 0.417 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 174.1 | 13 | 0 | 0 | 0 | 0 | 112.3 | S2250 G2251 Q2252 R2257 L2258 | S2250-T2254 PolarHBondContact O-N 2.87Å; S2250-T2254 PolarHBondContact O-OG1 2.73Å; G2251-T2254 WeakPolarHBondContact CA-OG1 3.23Å; G2251-T2254 PolarHBondContact O-N 2.67Å; G2251-T2254 PolarHBondContact O-OG1 3.24Å; Q2252-T2254 VanDerWaalsContact C-N 3.31Å; Q2252-T2254 PolarHBondContact O-N 2.86Å; T2254-R2257 PolarHBondContact O-N 3.37Å; T2254-L2258 WeakPolarHBondContact O-CB 3.42Å; T2254-L2258 WeakPolarHBondContact O-CD1 3.13Å; T2254-L2258 VanDerWaalsContact O-CG 3.28Å; T2254-L2258 WeakPolarHBondContact O-CG 3.29Å; T2254-L2258 PolarHBondContact O-N 3.49Å |
| 2255 | E | 49.1 | Very low | 46.4 | Very low | 54 Ų | 54 | 79.8 Ų | 79.8 | 25% | 0.252 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.3 | -44.6 | 178.5 | -164.4 | 178.2 | -165.7 | 0 | 0 | 111.5 | S2195 Y2196 S2197 G2251 Q2252 R2257 L2258 G2259 | S2195-E2255 WeakPolarHBondContact CB-OE1 3.26Å; Y2196-E2255 VanDerWaalsContact CA-OE2 3.24Å; Y2196-E2255 WeakPolarHBondContact CA-OE2 3.2Å; Y2196-E2255 VanDerWaalsContact CB-OE2 3.23Å; Y2196-E2255 WeakPolarHBondContact CB-OE2 3.45Å; Y2196-E2255 PolarHBondContact N-OE2 3.46Å; S2197-E2255 PolarHBondContact N-OE2 3.29Å; G2251-E2255 PolarHBondContact O-N 2.84Å; G2251-E2255 VanDerWaalsContact O-N 3.12Å; Q2252-E2255 PolarHBondContact O-N 3.08Å; Q2252-E2255 VanDerWaalsContact O-N 3.16Å; E2255-R2257 VanDerWaalsContact C-N 3.33Å; E2255-R2257 PolarHBondContact O-N 3.14Å; E2255-L2258 CarbonylContact O-C 3.52Å; E2255-L2258 PolarHBondContact O-N 3.07Å; E2255-G2259 PolarHBondContact O-N 3.17Å |
| 2256 | E | 50.2 | Low | 44.4 | Very low | 151 Ų | 151 | 81.5 Ų | 81.5 | 71% | 0.706 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.7 | -42 | 175.2 | -75.2 | -176.9 | 168 | 0 | 0 | 112.1 | Q2252 L2258 G2259 | Q2252-E2256 PolarHBondContact O-N 2.95Å; E2256-L2258 VanDerWaalsContact C-N 3.27Å; E2256-L2258 PolarHBondContact O-N 3.21Å; E2256-G2259 PolarHBondContact O-N 3.18Å |
| 2257 | R | 46.3 | Very low | 42.5 | Very low | 210 Ų | 210 | 90 Ų | 90 | 79% | 0.792 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.3 | -26.3 | 175.3 | -76.4 | 179.8 | -178.7 | -177.7 | 2.7 | 113.3 | L2253 T2254 E2255 G2259 | L2253-R2257 WeakPolarHBondContact O-CB 3.03Å; L2253-R2257 VanDerWaalsContact O-CG 3.28Å; L2253-R2257 WeakPolarHBondContact O-CG 3.18Å; L2253-R2257 PolarHBondContact O-N 3.4Å; T2254-R2257 PolarHBondContact O-N 3.37Å; E2255-R2257 VanDerWaalsContact C-N 3.33Å; E2255-R2257 PolarHBondContact O-N 3.14Å; R2257-G2259 VanDerWaalsContact C-N 3.34Å |
| 2258 | L | 40.2 | Very low | 40.9 | Very low | 92 Ų | 92 | 94 Ų | 94 | 48% | 0.482 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 2.5 | 178.4 | -77.8 | 163.2 | 0 | 0 | 0 | 113.3 | T2254 E2255 E2256 G2260 | T2254-L2258 WeakPolarHBondContact O-CB 3.42Å; T2254-L2258 WeakPolarHBondContact O-CD1 3.13Å; T2254-L2258 VanDerWaalsContact O-CG 3.28Å; T2254-L2258 WeakPolarHBondContact O-CG 3.29Å; T2254-L2258 PolarHBondContact O-N 3.49Å; E2255-L2258 CarbonylContact O-C 3.52Å; E2255-L2258 PolarHBondContact O-N 3.07Å; E2256-L2258 VanDerWaalsContact C-N 3.27Å; E2256-L2258 PolarHBondContact O-N 3.21Å; L2258-G2260 PolarHBondContact O-N 3.23Å |
| 2259 | G | 35.6 | Very low | 39 | Very low | 76 Ų | 76 | 98.1 Ų | 98.1 | 78% | 0.784 | 57% | 0.574 | S | S | * | * | trans | -62.9 | 17.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | E2255 E2256 R2257 | E2255-G2259 PolarHBondContact O-N 3.17Å; E2256-G2259 PolarHBondContact O-N 3.18Å; R2257-G2259 VanDerWaalsContact C-N 3.34Å | ||
| 2260 | G | 31.9 | Very low | 37.2 | Very low | 46 Ų | 46 | 100.4 Ų | 100.4 | 47% | 0.474 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -123.9 | 127.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | L2258 C2262 | L2258-G2260 PolarHBondContact O-N 3.23Å; G2260-C2262 PolarHBondContact O-N 3Å |
| 2261 | N | 28 | Very low | 35.7 | Very low | 180 Ų | 180 | 104.4 Ų | 104.4 | 96% | 0.963 | 61% | 0.607 | S | S | * | * | trans | -43.6 | 94.9 | 169.3 | -85.4 | -26 | 0 | 0 | 0 | 111.3 | ||||
| 2262 | C | 24.9 | Very low | 34.2 | Very low | 94 Ų | 94 | 107.7 Ų | 107.7 | 64% | 0.635 | 64% | 0.64 | S | S | * | * | trans | -135 | 92 | 178.2 | -81.8 | 0 | 0 | 0 | 0 | 108.7 | G2260 S2264 | G2260-C2262 PolarHBondContact O-N 3Å; C2262-S2264 PolarHBondContact O-N 2.72Å | ||
| 2263 | S | 26.7 | Very low | 32.6 | Very low | 132 Ų | 132 | 110.3 Ų | 110.3 | 92% | 0.923 | 66% | 0.663 | S | S | * | * | trans | -74.2 | 15.5 | 169.9 | 47.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2264 | S | 24.8 | Very low | 31.2 | Very low | 93 Ų | 93 | 111 Ų | 111 | 65% | 0.65 | 67% | 0.671 | S | S | * | * | trans | -137 | 57 | -167.9 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | C2262 | C2262-S2264 PolarHBondContact O-N 2.72Š| ||
| 2265 | I | 24 | Very low | 30 | Very low | 138 Ų | 138 | 112 Ų | 112 | 71% | 0.708 | 67% | 0.673 | S | S | * | * | trans | -132 | 91.9 | 156.7 | -60.2 | 180 | 0 | 0 | 0 | 107.7 | V2268 | I2265-V2268 HydrophobicContact CG2-CG2 4.33Š| ||
| 2266 | G | 24.4 | Very low | 28.9 | Very low | 59 Ų | 59 | 116.7 Ų | 116.7 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | trans | -69 | 136.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V2268 | G2266-V2268 PolarHBondContact O-N 2.69Š| ||
| 2267 | Y | 24.9 | Very low | 27.7 | Very low | 223 Ų | 223 | 114.7 Ų | 114.7 | 88% | 0.875 | 69% | 0.693 | S | S | * | * | trans | 49.1 | 59.1 | 151 | -65.3 | -85.3 | 0 | 0 | 0 | 116.9 | S2269 | Y2267-S2269 VanDerWaalsContact C-N 3.33Å; Y2267-S2269 PolarHBondContact O-N 2.96Å | ||
| 2268 | V | 22.9 | Very low | 26.6 | Very low | 126 Ų | 126 | 110.8 Ų | 110.8 | 76% | 0.764 | 69% | 0.688 | S | S | * | * | trans | -81.1 | 95.3 | 147.1 | -176.8 | 0 | 0 | 0 | 0 | 106.4 | I2265 G2266 T2270 | I2265-V2268 HydrophobicContact CG2-CG2 4.33Å; G2266-V2268 PolarHBondContact O-N 2.69Å; V2268-T2270 PolarHBondContact O-N 2.67Å | ||
| 2269 | S | 24.7 | Very low | 25.8 | Very low | 92 Ų | 92 | 113.2 Ų | 113.2 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | trans | -46.2 | 124.5 | 166.6 | 53.2 | 0 | 0 | 0 | 0 | 110.4 | Y2267 | Y2267-S2269 VanDerWaalsContact C-N 3.33Å; Y2267-S2269 PolarHBondContact O-N 2.96Å | ||
| 2270 | T | 27.8 | Very low | 25.2 | Very low | 84 Ų | 84 | 117.2 Ų | 117.2 | 52% | 0.515 | 70% | 0.703 | S | S | . | * | S | Bend | trans | 48.4 | 100.3 | 150.9 | 28 | 0 | 0 | 0 | 0 | 116 | V2268 G2272 | V2268-T2270 PolarHBondContact O-N 2.67Å; T2270-G2272 PolarHBondContact O-N 3.23Å |
| 2271 | V | 26 | Very low | 25 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | -37.3 | 95.2 | 167.3 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2272 | G | 25 | Very low | 24.8 | Very low | 75 Ų | 75 | 122.4 Ų | 122.4 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | trans | -125.6 | 21.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T2270 | T2270-G2272 PolarHBondContact O-N 3.23Š| ||
| 2273 | C | 24.9 | Very low | 24.8 | Very low | 106 Ų | 106 | 125.4 Ų | 125.4 | 72% | 0.716 | 73% | 0.725 | S | S | * | * | trans | -134.1 | 110 | 162.4 | -63.7 | 0 | 0 | 0 | 0 | 101.6 | ||||
| 2274 | V | 25 | Very low | 24.7 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | -164.6 | 99.7 | 81.6 | 169 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 2275 | L | 23.8 | Very low | 24.8 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 47% | 0.471 | 73% | 0.729 | S | S | . | * | trans | -130.7 | 66.2 | 141 | -92.6 | 172.5 | 0 | 0 | 0 | 104.4 | L2125 L2277 | L2125-L2275 HydrophobicContact CD1-CD1 3.4Å; L2125-L2275 HydrophobicContact CD1-CG 4.1Å; L2275-L2277 HydrophobicContact CD2-CD1 4.3Å; L2275-L2277 HydrophobicContact CD2-CD2 4.2Å; L2275-L2277 HydrophobicContact CD2-CG 3.94Å | ||
| 2276 | D | 26.1 | Very low | 25.1 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | trans | -89.3 | 94.3 | 146.4 | -117.5 | -8.2 | 0 | 0 | 0 | 103.7 | ||||
| 2277 | L | 24.5 | Very low | 25 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 57% | 0.571 | 75% | 0.745 | S | S | * | * | trans | -60.3 | 133.8 | 169.5 | -79 | 152.8 | 0 | 0 | 0 | 108.2 | L2275 | L2275-L2277 HydrophobicContact CD2-CD1 4.3Å; L2275-L2277 HydrophobicContact CD2-CD2 4.2Å; L2275-L2277 HydrophobicContact CD2-CG 3.94Å | ||
| 2278 | N | 22.5 | Very low | 25.1 | Very low | 128 Ų | 128 | 134 Ų | 134 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | trans | 70.3 | 73.9 | 168.6 | -69.3 | -22.8 | 0 | 0 | 0 | 118.8 | ||||
| 2279 | V | 23 | Very low | 25.4 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 87% | 0.873 | 75% | 0.751 | S | S | * | * | trans | -117.9 | 86.5 | 136.3 | -176.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 2280 | K | 23.7 | Very low | 25.5 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | trans | -102.1 | 146 | 152.6 | -95 | -173.9 | 174.3 | -178.9 | 0 | 107.2 | ||||
| 2281 | D | 26.7 | Very low | 25.5 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | 78.1 | 74.7 | 164.5 | -50.8 | -19.1 | 0 | 0 | 0 | 117.5 | ||||
| 2282 | M | 24.8 | Very low | 25.5 | Very low | 193 Ų | 193 | 140.9 Ų | 140.9 | 95% | 0.951 | 78% | 0.778 | S | S | * | * | -123.8 | 114.2 | 123.6 | -89.6 | -129.5 | -129.4 | 0 | 0 | 108.7 | |||||
| 2283 | D | 25.2 | Very low | 25.6 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -61.6 | 149.7 | 162.9 | -96.6 | -38 | 0 | 0 | 0 | 111 | ||||
| 2284 | Q | 23.4 | Very low | 25.7 | Very low | 175 Ų | 175 | 142.8 Ų | 142.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -60.4 | 125.8 | 178.6 | -61.8 | 167.7 | -11.1 | 0 | 0 | 111.8 | ||||
| 2285 | N | 28 | Very low | 25.7 | Very low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -166.5 | 140.8 | 137 | -88.5 | -32.3 | 0 | 0 | 0 | 109.5 | ||||
| 2286 | D | 29.5 | Very low | 26 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | 82.6 | 82.2 | -177.9 | -55.8 | -21 | 0 | 0 | 0 | 115.5 | ||||
| 2287 | M | 23.5 | Very low | 26 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | 59.1 | 117.5 | 80.5 | -79.6 | -136.8 | -90.3 | 0 | 0 | 117.3 | |||||
| 2288 | E | 25.7 | Very low | 26.2 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 81% | 0.813 | 86% | 0.856 | S | S | * | * | trans | 57.2 | 111.4 | 146.7 | -60.3 | -173.2 | 165.2 | 0 | 0 | 120.1 | ||||
| 2289 | L | 29 | Very low | 26.4 | Very low | 185 Ų | 185 | 147.2 Ų | 147.2 | 97% | 0.969 | 87% | 0.865 | S | S | * | * | trans | -162 | 128.8 | 138.6 | -101.6 | 153.2 | 0 | 0 | 0 | 110.3 | ||||
| 2290 | G | 26.8 | Very low | 26.5 | Very low | 66 Ų | 66 | 147.3 Ų | 147.3 | 68% | 0.68 | 86% | 0.864 | S | S | * | * | trans | -77.4 | -174.3 | -163.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | M2292 | G2290-M2292 PolarHBondContact O-N 3.19Š| ||
| 2291 | P | 28.4 | Very low | 26.7 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 90% | 0.903 | 87% | 0.874 | S | S | * | * | trans | -84.2 | 112.4 | -158.6 | 32.6 | -32.4 | 0 | 0 | 0 | 112 | ||||
| 2292 | M | 26.4 | Very low | 26.7 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 91% | 0.906 | 88% | 0.881 | S | S | * | * | trans | -85.9 | 124.9 | 165 | -96.2 | -166.2 | 177.2 | 0 | 0 | 110.6 | G2290 C2294 | G2290-M2292 PolarHBondContact O-N 3.19Å; M2292-C2294 PolarHBondContact O-N 2.65Å | ||
| 2293 | A | 26.6 | Very low | 26.8 | Very low | 91 Ų | 91 | 144.1 Ų | 144.1 | 75% | 0.752 | 88% | 0.876 | S | S | * | * | trans | -52.2 | 120.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I2295 | A2293-I2295 PolarHBondContact O-N 3.39Š| ||
| 2294 | C | 26.2 | Very low | 26.9 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 88% | 0.878 | 88% | 0.879 | S | S | * | * | trans | -76 | 107 | 166.2 | -76.4 | 0 | 0 | 0 | 0 | 109.6 | M2292 | M2292-C2294 PolarHBondContact O-N 2.65Š| ||
| 2295 | I | 26.6 | Very low | 27.2 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 77% | 0.774 | 88% | 0.883 | S | S | * | * | trans | -63 | 132.2 | 163.9 | -64.4 | 168.5 | 0 | 0 | 0 | 108.2 | A2293 A2297 | A2293-I2295 PolarHBondContact O-N 3.39Å; I2295-A2297 PolarHBondContact O-N 3.14Å | ||
| 2296 | P | 29.3 | Very low | 27.1 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 89% | 0.887 | S | S | * | * | trans | -69.1 | 121.2 | -177.7 | 26.6 | -32 | 0 | 0 | 0 | 110.6 | G2298 | P2296-G2298 PolarHBondContact O-N 3.43Š| ||
| 2297 | A | 27.1 | Very low | 26.9 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 87% | 0.868 | 89% | 0.891 | S | S | * | * | trans | -77.2 | 111.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | I2295 | I2295-A2297 PolarHBondContact O-N 3.14Š| ||
| 2298 | G | 27.2 | Very low | 27.2 | Very low | 152 Ų | 152 | 136 Ų | 136 | 100% | 1.567 | 90% | 0.898 | S | S | * | * | trans | -76.3 | 0 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P2296 | P2296-G2298 PolarHBondContact O-N 3.43Š|
Retrieved 2,298 of 2,298 residues in 833.5 ms
(Link to these results)