| 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 | 31.9 | Very low | 41.6 | Very low | 240 Ų | 240 | 131.1 Ų | 131.1 | 100% | 1.182 | 67% | 0.669 | S | S | * | * | 0 | 139.5 | 0 | -71 | 161.8 | 166.4 | 0 | 0 | 108.6 | |||||
| 2 | K | 25.8 | Very low | 42.8 | Very low | 204 Ų | 204 | 122.7 Ų | 122.7 | 89% | 0.887 | 63% | 0.626 | S | S | * | * | trans | -81 | 119.3 | 164.6 | -80 | -174.4 | 175 | -179 | 0 | 107.7 | V4 | K2-V4 PolarHBondContact O-N 3.3Š| ||
| 3 | V | 26.5 | Very low | 44 | Very low | 135 Ų | 135 | 119.5 Ų | 119.5 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | trans | -72.1 | 99.1 | 170.8 | 179.7 | 0 | 0 | 0 | 0 | 107.4 | P5 | V3-P5 WeakPolarHBondContact O-CD 3.42Š| ||
| 4 | V | 29.1 | Very low | 44.5 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 69% | 0.691 | 60% | 0.604 | S | S | * | * | trans | -71.2 | 118.4 | 162.4 | 178.3 | 0 | 0 | 0 | 0 | 105.9 | K2 E6 | K2-V4 PolarHBondContact O-N 3.3Å; V4-E6 PolarHBondContact O-N 3.22Å | ||
| 5 | P | 39.2 | Very low | 45.1 | Very low | 105 Ų | 105 | 114.3 Ų | 114.3 | 68% | 0.682 | 58% | 0.58 | S | S | * | * | trans | -65.8 | 111.5 | 169.2 | 27.7 | -31.6 | 0 | 0 | 0 | 106.9 | V3 K7 | V3-P5 WeakPolarHBondContact O-CD 3.42Å; P5-K7 PolarHBondContact O-N 3.02Å | ||
| 6 | E | 38.6 | Very low | 45.7 | Very low | 156 Ų | 156 | 113.6 Ų | 113.6 | 73% | 0.729 | 57% | 0.568 | S | S | * | * | trans | -54.4 | 118.1 | 176.3 | -66.4 | -171.1 | 148.9 | 0 | 0 | 108.7 | V4 N8 | V4-E6 PolarHBondContact O-N 3.22Å; E6-N8 HydrophobicContact CB-CB 4.35Å; E6-N8 PolarHBondContact O-N 3.28Å | ||
| 7 | K | 50.1 | Low | 46.2 | Very low | 105 Ų | 105 | 116 Ų | 116 | 46% | 0.457 | 58% | 0.577 | S | S | . | * | trans | -72.9 | 56.5 | 175.6 | -69.5 | -159.6 | 172.9 | -159.7 | 0 | 110.1 | P5 A9 E31 L32 | P5-K7 PolarHBondContact O-N 3.02Å; K7-A9 PolarHBondContact O-N 3.42Å; K7-E31 IonicContact NZ-OE2 3.02Å; K7-E31 PolarHBondContact NZ-OE2 3.11Å; K7-L32 HydrophobicContact CB-CD1 4.38Å; K7-L32 HydrophobicContact CB-CD2 4.06Å; K7-L32 HydrophobicContact CD-CD2 3.87Å; K7-L32 HydrophobicContact CD-CG 4.36Å | ||
| 8 | N | 52.6 | Low | 46.4 | Very low | 63 Ų | 63 | 119.2 Ų | 119.2 | 34% | 0.337 | 58% | 0.581 | S | S | . | * | trans | -77.4 | 93.8 | -171.7 | -164.8 | -30.9 | 0 | 0 | 0 | 108.5 | E6 V10 R11 I12 | E6-N8 HydrophobicContact CB-CB 4.35Å; E6-N8 PolarHBondContact O-N 3.28Å; N8-V10 PolarHBondContact O-N 3.34Å; N8-V10 WeakPolarHBondContact OD1-CB 3.18Å; N8-R11 HydrophobicContact CB-CG 4.36Å; N8-R11 WeakPolarHBondContact O-CB 3.36Å; N8-R11 PolarHBondContact O-N 2.8Å; N8-I12 PolarHBondContact O-N 2.8Å | ||
| 9 | A | 56.1 | Low | 46 | Very low | 34 Ų | 34 | 115.9 Ų | 115.9 | 28% | 0.281 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -54.2 | -29.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K7 R11 I12 L13 L32 | K7-A9 PolarHBondContact O-N 3.42Å; A9-R11 VanDerWaalsContact C-N 3.34Å; A9-R11 PolarHBondContact O-N 2.99Å; A9-I12 PolarHBondContact O-N 3.02Å; A9-I12 VanDerWaalsContact O-N 3.15Å; A9-L13 WeakPolarHBondContact O-CG 3.3Å; A9-L13 PolarHBondContact O-N 2.94Å; A9-L32 HydrophobicContact CB-CD1 4.45Å |
| 10 | V | 54 | Low | 46.2 | Very low | 94 Ų | 94 | 112.9 Ų | 112.9 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.6 | -41.7 | 173.7 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | N8 I12 L13 W14 | N8-V10 PolarHBondContact O-N 3.34Å; N8-V10 WeakPolarHBondContact OD1-CB 3.18Å; V10-I12 VanDerWaalsContact C-N 3.32Å; V10-I12 PolarHBondContact O-N 3.17Å; V10-L13 PolarHBondContact O-N 3.15Å; V10-W14 WeakPolarHBondContact O-CB 3.36Å; V10-W14 PolarHBondContact O-N 3.28Å |
| 11 | R | 53.2 | Low | 46.1 | Very low | 192 Ų | 192 | 119.2 Ų | 119.2 | 73% | 0.725 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.2 | -31.4 | 176.1 | -69.1 | -176.8 | 65.9 | -176.3 | 0.3 | 112.9 | N8 A9 G15 | N8-R11 HydrophobicContact CB-CG 4.36Å; N8-R11 WeakPolarHBondContact O-CB 3.36Å; N8-R11 PolarHBondContact O-N 2.8Å; A9-R11 VanDerWaalsContact C-N 3.34Å; A9-R11 PolarHBondContact O-N 2.99Å; R11-G15 PolarHBondContact O-N 3.09Å; R11-G15 VanDerWaalsContact O-N 3.09Å |
| 12 | I | 56.8 | Low | 46.9 | Very low | 30 Ų | 30 | 110.7 Ų | 110.7 | 15% | 0.154 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -72.2 | -47.7 | 178.2 | -60.7 | 178.6 | 0 | 0 | 0 | 109.8 | N8 A9 V10 G15 R16 A25 L28 L29 L32 | N8-I12 PolarHBondContact O-N 2.8Å; A9-I12 PolarHBondContact O-N 3.02Å; A9-I12 VanDerWaalsContact O-N 3.15Å; V10-I12 VanDerWaalsContact C-N 3.32Å; V10-I12 PolarHBondContact O-N 3.17Å; I12-G15 PolarHBondContact O-N 2.87Å; I12-R16 PolarHBondContact O-N 3.44Å; I12-R16 VanDerWaalsContact O-N 3.15Å; I12-A25 HydrophobicContact CG2-CB 3.97Å; I12-A25 WeakPolarHBondContact CG2-O 3.41Å; I12-L28 HydrophobicContact CD1-CB 4.06Å; I12-L29 HydrophobicContact CG2-CB 4.47Å; I12-L32 HydrophobicContact CD1-CD1 4.01Å |
| 13 | L | 57.7 | Low | 47.9 | Very low | 81 Ų | 81 | 109.3 Ų | 109.3 | 42% | 0.424 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.5 | -46.9 | 176.6 | -67.4 | 169.4 | 0 | 0 | 0 | 111.6 | A9 V10 G15 R16 E17 L29 | A9-L13 WeakPolarHBondContact O-CG 3.3Å; A9-L13 PolarHBondContact O-N 2.94Å; V10-L13 PolarHBondContact O-N 3.15Å; L13-G15 PolarHBondContact O-N 2.84Å; L13-R16 CarbonylContact O-C 3.58Å; L13-R16 WeakPolarHBondContact O-CA 3.47Å; L13-R16 WeakPolarHBondContact O-CB 3.47Å; L13-R16 PolarHBondContact O-N 2.87Å; L13-E17 PolarHBondContact O-N 3.43Å; L13-L29 HydrophobicContact CD2-CD2 4.48Å |
| 14 | W | 50.7 | Low | 49.3 | Very low | 137 Ų | 137 | 104.9 Ų | 104.9 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65 | -27.9 | 178.5 | -162.4 | 17.9 | 0 | 0 | 0 | 112.8 | V10 R18 | V10-W14 WeakPolarHBondContact O-CB 3.36Å; V10-W14 PolarHBondContact O-N 3.28Å; W14-R18 WeakPolarHBondContact O-CB 3.24Å; W14-R18 WeakPolarHBondContact O-CD 3.42Å; W14-R18 WeakPolarHBondContact O-CG 3.19Å; W14-R18 PolarHBondContact O-N 3.43Å; W14-R18 VanDerWaalsContact O-N 3.17Å |
| 15 | G | 54.8 | Low | 51 | Low | 24 Ų | 24 | 100.7 Ų | 100.7 | 25% | 0.247 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R11 I12 L13 R18 A20 | R11-G15 PolarHBondContact O-N 3.09Å; R11-G15 VanDerWaalsContact O-N 3.09Å; I12-G15 PolarHBondContact O-N 2.87Å; L13-G15 PolarHBondContact O-N 2.84Å; G15-R18 PolarHBondContact O-N 2.87Å; G15-A20 VanDerWaalsContact O-CB 3.3Å; G15-A20 WeakPolarHBondContact O-CB 3.11Å; G15-A20 PolarHBondContact O-N 3.36Å |
| 16 | R | 54.7 | Low | 52.5 | Low | 104 Ų | 104 | 99.8 Ų | 99.8 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 177.8 | -159.4 | 178.7 | -174.4 | -156.1 | -2.7 | 111.9 | I12 L13 R18 G19 | I12-R16 PolarHBondContact O-N 3.44Å; I12-R16 VanDerWaalsContact O-N 3.15Å; L13-R16 CarbonylContact O-C 3.58Å; L13-R16 WeakPolarHBondContact O-CA 3.47Å; L13-R16 WeakPolarHBondContact O-CB 3.47Å; L13-R16 PolarHBondContact O-N 2.87Å; R16-R18 VanDerWaalsContact C-N 3.3Å; R16-R18 PolarHBondContact O-N 2.8Å; R16-G19 PolarHBondContact O-N 3.48Å |
| 17 | E | 54.3 | Low | 54.3 | Low | 154 Ų | 154 | 98.5 Ų | 98.5 | 72% | 0.72 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61 | -35.6 | 173.2 | -70.7 | 174.5 | 162.4 | 0 | 0 | 112.7 | L13 G19 | L13-E17 PolarHBondContact O-N 3.43Å; E17-G19 PolarHBondContact O-N 3.17Å |
| 18 | R | 49.5 | Very low | 55.6 | Low | 173 Ų | 173 | 96.9 Ų | 96.9 | 65% | 0.653 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 12.6 | 173.4 | -68.4 | 171.9 | -175.3 | -133.9 | 5.5 | 113.4 | W14 G15 R16 A20 | W14-R18 WeakPolarHBondContact O-CB 3.24Å; W14-R18 WeakPolarHBondContact O-CD 3.42Å; W14-R18 WeakPolarHBondContact O-CG 3.19Å; W14-R18 PolarHBondContact O-N 3.43Å; W14-R18 VanDerWaalsContact O-N 3.17Å; G15-R18 PolarHBondContact O-N 2.87Å; R16-R18 VanDerWaalsContact C-N 3.3Å; R16-R18 PolarHBondContact O-N 2.8Å; R18-A20 VanDerWaalsContact C-N 3.25Å; R18-A20 PolarHBondContact O-N 3.12Å |
| 19 | G | 38.4 | Very low | 56.9 | Low | 57 Ų | 57 | 96.1 Ų | 96.1 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 7.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | R16 E17 R21 | R16-G19 PolarHBondContact O-N 3.48Å; E17-G19 PolarHBondContact O-N 3.17Å; G19-R21 PolarHBondContact O-N 3.19Å |
| 20 | A | 49.9 | Very low | 58.1 | Low | 55 Ų | 55 | 97.5 Ų | 97.5 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | trans | -74 | 97.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G15 R18 A22 | G15-A20 VanDerWaalsContact O-CB 3.3Å; G15-A20 WeakPolarHBondContact O-CB 3.11Å; G15-A20 PolarHBondContact O-N 3.36Å; R18-A20 VanDerWaalsContact C-N 3.25Å; R18-A20 PolarHBondContact O-N 3.12Å; A20-A22 PolarHBondContact O-N 3.05Å | ||
| 21 | R | 44.7 | Very low | 59.4 | Low | 247 Ų | 247 | 94.9 Ų | 94.9 | 93% | 0.932 | 47% | 0.467 | S | S | * | . | trans | -69.4 | 52.9 | 171.7 | -70.2 | -173.6 | 174.4 | -177.8 | -1.6 | 112.8 | G19 M23 | G19-R21 PolarHBondContact O-N 3.19Å; R21-M23 PolarHBondContact O-N 3.22Å | ||
| 22 | A | 49 | Very low | 60.8 | Low | 61 Ų | 61 | 87.2 Ų | 87.2 | 50% | 0.504 | 44% | 0.44 | S | S | . | . | trans | -74 | 104.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | A20 G24 A25 | A20-A22 PolarHBondContact O-N 3.05Å; A22-G24 PolarHBondContact O-N 2.83Å; A22-A25 HydrophobicContact CB-CB 4.34Å; A22-A25 WeakPolarHBondContact O-CB 3.38Å; A22-A25 PolarHBondContact O-N 3.05Å | ||
| 23 | M | 46.1 | Very low | 62.1 | Low | 174 Ų | 174 | 88.4 Ų | 88.4 | 86% | 0.857 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -51.3 | -34.1 | -177.9 | -70.3 | -72.8 | -82.4 | 0 | 0 | 113.5 | R21 A25 | R21-M23 PolarHBondContact O-N 3.22Å; M23-A25 VanDerWaalsContact C-N 3.29Å; M23-A25 PolarHBondContact O-N 2.92Å |
| 24 | G | 56 | Low | 63.4 | Low | 43 Ų | 43 | 84.8 Ų | 84.8 | 44% | 0.443 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.1 | -26.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.8 | A22 Q26 R27 L28 | A22-G24 PolarHBondContact O-N 2.83Å; G24-Q26 PolarHBondContact O-N 3.4Å; G24-R27 PolarHBondContact O-N 3.49Å; G24-L28 VanDerWaalsContact O-CB 3.28Å; G24-L28 WeakPolarHBondContact O-CB 3.4Å; G24-L28 WeakPolarHBondContact O-CG 3.4Å; G24-L28 PolarHBondContact O-N 3.5Å |
| 25 | A | 64.3 | Low | 65 | Low | 26 Ų | 26 | 79.4 Ų | 79.4 | 22% | 0.215 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I12 A22 M23 L29 | I12-A25 HydrophobicContact CG2-CB 3.97Å; I12-A25 WeakPolarHBondContact CG2-O 3.41Å; A22-A25 HydrophobicContact CB-CB 4.34Å; A22-A25 WeakPolarHBondContact O-CB 3.38Å; A22-A25 PolarHBondContact O-N 3.05Å; M23-A25 VanDerWaalsContact C-N 3.29Å; M23-A25 PolarHBondContact O-N 2.92Å; A25-L29 WeakPolarHBondContact O-CB 3.28Å; A25-L29 PolarHBondContact O-N 3.06Å |
| 26 | Q | 70.3 | Confident | 66.2 | Low | 85 Ų | 85 | 84.8 Ų | 84.8 | 40% | 0.397 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -72.2 | -43.5 | 179.1 | -176.1 | 166.2 | -21.5 | 0 | 0 | 111.9 | G24 L29 Q30 | G24-Q26 PolarHBondContact O-N 3.4Å; Q26-L29 PolarHBondContact O-N 3.02Å; Q26-Q30 WeakPolarHBondContact O-CG 3.29Å; Q26-Q30 PolarHBondContact O-N 3.15Å |
| 27 | R | 77.4 | Confident | 67.4 | Low | 129 Ų | 129 | 80.3 Ų | 80.3 | 49% | 0.487 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.9 | -172.1 | 172.1 | -179.2 | 146 | 5.5 | 111.6 | G24 L29 Q30 E31 D781 | G24-R27 PolarHBondContact O-N 3.49Å; R27-L29 VanDerWaalsContact C-N 3.31Å; R27-L29 PolarHBondContact O-N 2.73Å; R27-Q30 PolarHBondContact O-N 3.39Å; R27-E31 WeakPolarHBondContact O-CB 3.44Å; R27-E31 WeakPolarHBondContact O-CG 3.45Å; R27-E31 PolarHBondContact O-N 3.29Å; R27-D781 IonicContact NH2-OD2 2.73Å |
| 28 | L | 76.5 | Confident | 68.4 | Low | 72 Ų | 72 | 76 Ų | 76 | 38% | 0.377 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -32.7 | 175.3 | -73 | 170.5 | 0 | 0 | 0 | 113 | I12 G24 L32 | I12-L28 HydrophobicContact CD1-CB 4.06Å; G24-L28 VanDerWaalsContact O-CB 3.28Å; G24-L28 WeakPolarHBondContact O-CB 3.4Å; G24-L28 WeakPolarHBondContact O-CG 3.4Å; G24-L28 PolarHBondContact O-N 3.5Å; L28-L32 WeakPolarHBondContact O-CB 3.43Å; L28-L32 VanDerWaalsContact O-CG 3.29Å; L28-L32 WeakPolarHBondContact O-CG 3.21Å; L28-L32 PolarHBondContact O-N 3.12Å; L28-L32 VanDerWaalsContact O-N 3.08Å |
| 29 | L | 79.8 | Confident | 69.6 | Low | 47 Ų | 47 | 77 Ų | 77 | 25% | 0.246 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70 | -46 | 173.4 | -177.6 | 61.6 | 0 | 0 | 0 | 111.4 | I12 L13 A25 Q26 R27 E31 L32 V33 | I12-L29 HydrophobicContact CG2-CB 4.47Å; L13-L29 HydrophobicContact CD2-CD2 4.48Å; A25-L29 WeakPolarHBondContact O-CB 3.28Å; A25-L29 PolarHBondContact O-N 3.06Å; Q26-L29 PolarHBondContact O-N 3.02Å; R27-L29 VanDerWaalsContact C-N 3.31Å; R27-L29 PolarHBondContact O-N 2.73Å; L29-E31 VanDerWaalsContact C-N 3.34Å; L29-E31 PolarHBondContact O-N 3.34Å; L29-L32 CarbonylContact O-C 3.59Å; L29-L32 WeakPolarHBondContact O-CA 3.43Å; L29-L32 WeakPolarHBondContact O-CB 3.2Å; L29-L32 PolarHBondContact O-N 3.49Å; L29-V33 WeakPolarHBondContact O-CG2 3.45Å; L29-V33 PolarHBondContact O-N 3.34Å |
| 30 | Q | 81.6 | Confident | 71.6 | Confident | 63 Ų | 63 | 78.4 Ų | 78.4 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 175.4 | -75.8 | 172.7 | -25.2 | 0 | 0 | 112.1 | Q26 R27 L32 V33 E34 M833 P901 | Q26-Q30 WeakPolarHBondContact O-CG 3.29Å; Q26-Q30 PolarHBondContact O-N 3.15Å; R27-Q30 PolarHBondContact O-N 3.39Å; Q30-L32 VanDerWaalsContact C-N 3.32Å; Q30-L32 PolarHBondContact O-N 3.48Å; Q30-V33 PolarHBondContact O-N 3.11Å; Q30-E34 PolarHBondContact O-N 3.45Å; Q30-M833 HydrophobicContact CB-SD 3.65Å; Q30-P901 HydrophobicContact CB-CB 4.11Å; Q30-P901 HydrophobicContact CB-CG 3.92Å; Q30-P901 HydrophobicContact CG-CB 4.45Å; Q30-P901 HydrophobicContact CG-CG 4.05Å |
| 31 | E | 82.5 | Confident | 72.9 | Confident | 39 Ų | 39 | 82.6 Ų | 82.6 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57.1 | -42.7 | 169.5 | -82.8 | -174.7 | -142.8 | 0 | 0 | 112.7 | K7 R27 L29 D35 R835 | K7-E31 IonicContact NZ-OE2 3.02Å; K7-E31 PolarHBondContact NZ-OE2 3.11Å; R27-E31 WeakPolarHBondContact O-CB 3.44Å; R27-E31 WeakPolarHBondContact O-CG 3.45Å; R27-E31 PolarHBondContact O-N 3.29Å; L29-E31 VanDerWaalsContact C-N 3.34Å; L29-E31 PolarHBondContact O-N 3.34Å; E31-D35 WeakPolarHBondContact O-CB 3.36Å; E31-D35 PolarHBondContact O-N 3.45Å; E31-R835 PolarHBondContact O-NH2 2.93Å; E31-R835 IonicContact OE2-NH1 3.87Å |
| 32 | L | 82.3 | Confident | 74.7 | Confident | 30 Ų | 30 | 73.5 Ų | 73.5 | 16% | 0.157 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70.3 | -32.9 | 179.1 | -80.2 | 169.4 | 0 | 0 | 0 | 112.6 | K7 A9 I12 L28 L29 Q30 K36 | K7-L32 HydrophobicContact CB-CD1 4.38Å; K7-L32 HydrophobicContact CB-CD2 4.06Å; K7-L32 HydrophobicContact CD-CD2 3.87Å; K7-L32 HydrophobicContact CD-CG 4.36Å; A9-L32 HydrophobicContact CB-CD1 4.45Å; I12-L32 HydrophobicContact CD1-CD1 4.01Å; L28-L32 WeakPolarHBondContact O-CB 3.43Å; L28-L32 VanDerWaalsContact O-CG 3.29Å; L28-L32 WeakPolarHBondContact O-CG 3.21Å; L28-L32 PolarHBondContact O-N 3.12Å; L28-L32 VanDerWaalsContact O-N 3.08Å; L29-L32 CarbonylContact O-C 3.59Å; L29-L32 WeakPolarHBondContact O-CA 3.43Å; L29-L32 WeakPolarHBondContact O-CB 3.2Å; L29-L32 PolarHBondContact O-N 3.49Å; Q30-L32 VanDerWaalsContact C-N 3.32Å; Q30-L32 PolarHBondContact O-N 3.48Å; L32-K36 WeakPolarHBondContact O-CB 3.35Å; L32-K36 VanDerWaalsContact O-CG 3.31Å; L32-K36 WeakPolarHBondContact O-CG 3.44Å; L32-K36 PolarHBondContact O-N 3.45Å |
| 33 | V | 84 | Confident | 76.3 | Confident | 56 Ų | 56 | 76.6 Ų | 76.6 | 34% | 0.339 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.4 | -52.3 | 172.9 | 173.6 | 0 | 0 | 0 | 0 | 109.9 | L29 Q30 D35 K36 T37 P901 | L29-V33 WeakPolarHBondContact O-CG2 3.45Å; L29-V33 PolarHBondContact O-N 3.34Å; Q30-V33 PolarHBondContact O-N 3.11Å; V33-D35 VanDerWaalsContact C-N 3.32Å; V33-D35 PolarHBondContact O-N 3.21Å; V33-K36 CarbonylContact O-C 3.58Å; V33-K36 WeakPolarHBondContact O-CA 3.44Å; V33-K36 WeakPolarHBondContact O-CB 3.06Å; V33-K36 PolarHBondContact O-N 3.01Å; V33-T37 HydrophobicContact CG1-CG2 4.15Å; V33-T37 PolarHBondContact O-N 3.41Å; V33-P901 WeakPolarHBondContact CG1-O 3.34Å |
| 34 | E | 84.7 | Confident | 78.2 | Confident | 5 Ų | 5 | 70.3 Ų | 70.3 | 2% | 0.023 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.5 | -30.9 | -180 | -170.5 | -160 | -121.9 | 0 | 0 | 112.8 | Q30 K36 S831 M833 R835 Y836 P901 | Q30-E34 PolarHBondContact O-N 3.45Å; E34-K36 VanDerWaalsContact C-N 3.3Å; E34-K36 PolarHBondContact O-N 3.38Å; E34-S831 WeakPolarHBondContact OE1-CB 3.44Å; E34-S831 PolarHBondContact OE1-OG 2.92Å; E34-M833 WeakPolarHBondContact OE1-CB 3.49Å; E34-M833 PolarHBondContact OE1-N 2.8Å; E34-R835 IonicContact OE2-CZ 2.73Å; E34-R835 IonicContact OE2-NE 3.36Å; E34-R835 PolarHBondContact OE2-NE 2.92Å; E34-R835 IonicContact OE2-NH2 3.14Å; E34-R835 PolarHBondContact OE2-NH2 3.03Å; E34-Y836 HydrophobicContact CG-CD2 3.86Å; E34-Y836 HydrophobicContact CG-CE2 3.88Å; E34-Y836 WeakPolarHBondContact OE2-CD2 3.16Å; E34-P901 HydrophobicContact CB-CB 4.32Å |
| 35 | D | 83.2 | Confident | 79.6 | Confident | 24 Ų | 24 | 74.4 Ų | 74.4 | 13% | 0.128 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -73.3 | -17.6 | 170.1 | -89.2 | -40 | 0 | 0 | 0 | 113.6 | E31 V33 R38 R835 Y836 R861 | E31-D35 WeakPolarHBondContact O-CB 3.36Å; E31-D35 PolarHBondContact O-N 3.45Å; V33-D35 VanDerWaalsContact C-N 3.32Å; V33-D35 PolarHBondContact O-N 3.21Å; D35-R38 WeakPolarHBondContact O-CD 3.2Å; D35-R38 PolarHBondContact O-NE 3.04Å; D35-R38 IonicContact OD1-NH1 3.66Å; D35-R38 PolarHBondContact OD1-NH1 3.04Å; D35-R835 IonicContact OD1-NH1 3.43Å; D35-R835 IonicContact OD1-NH2 3.48Å; D35-R835 IonicContact OD2-CZ 3.18Å; D35-R835 IonicContact OD2-NH1 2.7Å; D35-R835 PolarHBondContact OD2-NH1 2.7Å; D35-R835 IonicContact OD2-NH2 3Å; D35-R835 PolarHBondContact OD2-NH2 2.78Å; D35-Y836 PolarHBondContact OD1-OH 3.11Å; D35-R861 IonicContact OD1-CZ 2.57Å; D35-R861 IonicContact OD1-NE 2.65Å; D35-R861 PolarHBondContact OD1-NE 2.91Å; D35-R861 IonicContact OD1-NH2 2.79Å; D35-R861 PolarHBondContact OD1-NH2 2.89Å; D35-R861 IonicContact OD2-NH2 2.81Å; D35-R861 PolarHBondContact OD2-NH2 3.04Å |
| 36 | K | 81.2 | Confident | 80.8 | Confident | 136 Ų | 136 | 79 Ų | 79 | 59% | 0.591 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -90.6 | -45.5 | 175.5 | -83.6 | -177.4 | 175.3 | -171.2 | 0 | 113 | L32 V33 E34 R38 W39 | L32-K36 WeakPolarHBondContact O-CB 3.35Å; L32-K36 VanDerWaalsContact O-CG 3.31Å; L32-K36 WeakPolarHBondContact O-CG 3.44Å; L32-K36 PolarHBondContact O-N 3.45Å; V33-K36 CarbonylContact O-C 3.58Å; V33-K36 WeakPolarHBondContact O-CA 3.44Å; V33-K36 WeakPolarHBondContact O-CB 3.06Å; V33-K36 PolarHBondContact O-N 3.01Å; E34-K36 VanDerWaalsContact C-N 3.3Å; E34-K36 PolarHBondContact O-N 3.38Å; K36-R38 PolarHBondContact O-N 3.46Å; K36-R38 VanDerWaalsContact O-N 3.12Å; K36-W39 WeakPolarHBondContact O-CB 3.44Å; K36-W39 PolarHBondContact O-N 3.27Å |
| 37 | T | 80.3 | Confident | 81.8 | Confident | 11 Ų | 11 | 75.4 Ų | 75.4 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.5 | -23.8 | -173.7 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | V33 W39 M40 W42 P919 | V33-T37 HydrophobicContact CG1-CG2 4.15Å; V33-T37 PolarHBondContact O-N 3.41Å; T37-W39 PolarHBondContact O-N 2.98Å; T37-W39 VanDerWaalsContact O-N 3.11Å; T37-M40 HydrophobicContact CG2-SD 3.9Å; T37-M40 PolarHBondContact O-N 2.65Å; T37-M40 VanDerWaalsContact O-N 3.14Å; T37-W42 PolarHBondContact O-NE1 3.14Å; T37-W42 VanDerWaalsContact O-NE1 3.07Å; T37-P919 HydrophobicContact CG2-CG 4.1Å |
| 38 | R | 75.3 | Confident | 82.3 | Confident | 62 Ų | 62 | 76.6 Ų | 76.6 | 23% | 0.234 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -18.1 | 170.1 | 85.6 | -170.6 | -166.1 | -151.1 | -4.3 | 115 | D35 K36 Y836 V875 | D35-R38 WeakPolarHBondContact O-CD 3.2Å; D35-R38 PolarHBondContact O-NE 3.04Å; D35-R38 IonicContact OD1-NH1 3.66Å; D35-R38 PolarHBondContact OD1-NH1 3.04Å; K36-R38 PolarHBondContact O-N 3.46Å; K36-R38 VanDerWaalsContact O-N 3.12Å; R38-Y836 WeakPolarHBondContact CD-OH 3.42Å; R38-Y836 PolarHBondContact NH1-OH 2.7Å; R38-Y836 VanDerWaalsContact NH1-OH 3.11Å; R38-V875 HydrophobicContact CB-CG1 4.02Å; R38-V875 HydrophobicContact CG-CG1 4.24Å |
| 39 | W | 74.8 | Confident | 82.9 | Confident | 195 Ų | 195 | 74.5 Ų | 74.5 | 74% | 0.739 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -8.2 | 179.8 | -64 | 118.8 | 0 | 0 | 0 | 113.3 | K36 T37 | K36-W39 WeakPolarHBondContact O-CB 3.44Å; K36-W39 PolarHBondContact O-N 3.27Å; T37-W39 PolarHBondContact O-N 2.98Å; T37-W39 VanDerWaalsContact O-N 3.11Å |
| 40 | M | 79.5 | Confident | 83.2 | Confident | 87 Ų | 87 | 76.4 Ų | 76.4 | 43% | 0.429 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -74 | 157.6 | 173.3 | -69.4 | 165.5 | 166.4 | 0 | 0 | 109.6 | T37 P919 | T37-M40 HydrophobicContact CG2-SD 3.9Å; T37-M40 PolarHBondContact O-N 2.65Å; T37-M40 VanDerWaalsContact O-N 3.14Å; M40-P919 HydrophobicContact CB-CB 3.7Å; M40-P919 HydrophobicContact CG-CB 4.3Å; M40-P919 HydrophobicContact SD-CB 3.7Å; M40-P919 HydrophobicContact SD-CG 4.3Å |
| 41 | K | 78.3 | Confident | 83.2 | Confident | 143 Ų | 143 | 77.2 Ų | 77.2 | 62% | 0.622 | 37% | 0.366 | S | S | * | . | trans | -69.8 | 150.2 | 165.3 | -174.1 | 169.5 | 158.4 | -90.5 | 0 | 107.8 | P919 E920 | K41-P919 CarbonylContact O-C 3.54Å; K41-P919 WeakPolarHBondContact O-CA 3.37Å; K41-E920 HydrophobicContact CB-CB 4.26Å; K41-E920 WeakPolarHBondContact CB-OE2 3.39Å; K41-E920 WeakPolarHBondContact CD-OE2 3.38Å; K41-E920 WeakPolarHBondContact CE-OE2 3.46Å; K41-E920 WeakPolarHBondContact CG-OE2 2.98Å; K41-E920 IonicContact NZ-OE1 3.42Å; K41-E920 PolarHBondContact NZ-OE1 3.44Å; K41-E920 IonicContact NZ-OE2 2.74Å; K41-E920 PolarHBondContact NZ-OE2 3.48Å; K41-E920 WeakPolarHBondContact O-CB 3.29Å; K41-E920 PolarHBondContact O-N 3.48Å | ||
| 42 | W | 81.5 | Confident | 83.3 | Confident | 56 Ų | 56 | 81 Ų | 81 | 21% | 0.212 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 123.3 | -176.8 | -74.6 | 65.7 | 0 | 0 | 0 | 109.7 | T37 F876 W897 G904 L905 C917 R918 | T37-W42 PolarHBondContact O-NE1 3.14Å; T37-W42 VanDerWaalsContact O-NE1 3.07Å; W42-F876 HydrophobicContact CD2-CE2 4.27Å; W42-F876 HydrophobicContact CD2-CZ 4.31Å; W42-F876 AromaticContact CE2-CZ 3.8Å; W42-F876 HydrophobicContact CH2-CZ 4.12Å; W42-F876 HydrophobicContact CZ2-CE1 4.26Å; W42-F876 HydrophobicContact CZ2-CE2 4.47Å; W42-F876 AromaticContact CZ2-CZ 3.71Å; W42-F876 HydrophobicContact CZ2-CZ 3.71Å; W42-W897 HydrophobicContact CH2-CZ3 4.04Å; W42-G904 VanDerWaalsContact CZ3-CA 3.44Å; W42-L905 HydrophobicContact CE3-CD2 4.17Å; W42-L905 HydrophobicContact CE3-CG 4.4Å; W42-L905 HydrophobicContact CH2-CD2 4.31Å; W42-L905 HydrophobicContact CZ3-CD2 3.66Å; W42-L905 HydrophobicContact CZ3-CG 3.86Å; W42-C917 HydrophobicContact CE3-CB 4.16Å; W42-R918 WeakPolarHBondContact CA-O 3.24Å |
| 43 | E | 82.7 | Confident | 83.4 | Confident | 126 Ų | 126 | 80.2 Ų | 80.2 | 59% | 0.589 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.1 | 176.8 | -172.7 | 178.8 | -174.8 | 0 | 0 | 109.8 | C917 R918 | E43-C917 CarbonylContact O-C 3.58Å; E43-C917 VanDerWaalsContact O-CA 3.24Å; E43-C917 WeakPolarHBondContact O-CA 3.43Å; E43-R918 PolarHBondContact N-O 3.23Å; E43-R918 PolarHBondContact O-N 3.38Å |
| 44 | G | 85.2 | Confident | 83.4 | Confident | 42 Ų | 42 | 85.1 Ų | 85.1 | 43% | 0.433 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 97.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C917 | G44-C917 WeakPolarHBondContact CA-SG 3.28Å |
| 45 | K | 87.3 | Confident | 83.5 | Confident | 128 Ų | 128 | 85.2 Ų | 85.2 | 56% | 0.557 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 126 | 174 | -169.5 | 172 | -178.7 | -179.1 | 0 | 110 | V915 I916 | K45-V915 WeakPolarHBondContact O-CA 3.46Å; K45-I916 PolarHBondContact N-O 3.35Å; K45-I916 PolarHBondContact O-N 3.14Å |
| 46 | R | 89.4 | Confident | 83.8 | Confident | 123 Ų | 123 | 84.1 Ų | 84.1 | 46% | 0.464 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 133.3 | 169.2 | -178.3 | -175.8 | -66.5 | -118.6 | -22.2 | 108.9 | Y880 D913 | R46-Y880 PolarHBondContact NH2-OH 3.49Å; R46-D913 IonicContact CZ-OD1 3.43Å; R46-D913 IonicContact CZ-OD2 3.69Å; R46-D913 IonicContact NH1-OD1 2.95Å; R46-D913 PolarHBondContact NH1-OD1 2.87Å; R46-D913 IonicContact NH1-OD2 2.73Å; R46-D913 PolarHBondContact NH1-OD2 3.17Å; R46-D913 IonicContact NH2-OD1 2.86Å; R46-D913 PolarHBondContact NH2-OD1 3.5Å; R46-D913 IonicContact NH2-OD2 1.82Å; R46-D913 PolarHBondContact NH2-OD2 2.94Å |
| 47 | V | 90.3 | Very high | 84.1 | Confident | 9 Ų | 9 | 79.3 Ų | 79.3 | 6% | 0.055 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 134.3 | 171.9 | 168.7 | 0 | 0 | 0 | 0 | 109.2 | L49 T80 L914 I916 | V47-L49 HydrophobicContact CG1-CD2 3.7Å; V47-L49 HydrophobicContact CG1-CG 4.13Å; V47-L49 PolarHBondContact O-N 3.21Å; V47-T80 HydrophobicContact CB-CG2 4.45Å; V47-T80 HydrophobicContact CG1-CG2 3.63Å; V47-T80 HydrophobicContact CG2-CG2 3.91Å; V47-L914 HydrophobicContact CB-CB 4.13Å; V47-L914 HydrophobicContact CB-CD2 4.08Å; V47-L914 HydrophobicContact CB-CG 3.99Å; V47-L914 HydrophobicContact CG1-CD2 4.09Å; V47-L914 HydrophobicContact CG2-CD2 4.03Å; V47-L914 HydrophobicContact CG2-CG 3.86Å; V47-L914 PolarHBondContact N-O 3.12Å; V47-I916 HydrophobicContact CG2-CD1 3.69Å; V47-I916 HydrophobicContact CG2-CG1 3.85Å |
| 48 | E | 87.8 | Confident | 84.6 | Confident | 155 Ų | 155 | 78.9 Ų | 78.9 | 72% | 0.724 | 38% | 0.378 | S | S | * | . | B | Isolated β-bridge | trans | -80.8 | 108.4 | 170.1 | -73.6 | 165.9 | -154.9 | 0 | 0 | 108.5 | ||
| 49 | L | 89.6 | Confident | 85.6 | Confident | 28 Ų | 28 | 76 Ų | 76 | 15% | 0.147 | 37% | 0.367 | C | S | . | . | trans | -96 | 150.3 | 175.4 | -63 | 176.4 | 0 | 0 | 0 | 109.5 | V47 D51 P53 Y78 L914 | V47-L49 HydrophobicContact CG1-CD2 3.7Å; V47-L49 HydrophobicContact CG1-CG 4.13Å; V47-L49 PolarHBondContact O-N 3.21Å; L49-D51 VanDerWaalsContact C-N 3.33Å; L49-D51 CarbonylContact C-O 3.57Å; L49-D51 WeakPolarHBondContact CB-O 3.46Å; L49-D51 PolarHBondContact O-N 3.37Å; L49-P53 HydrophobicContact CD1-CG 3.8Å; L49-Y78 HydrophobicContact CB-CD2 4.33Å; L49-Y78 HydrophobicContact CD1-CD2 4.21Å; L49-Y78 HydrophobicContact CD2-CD2 3.96Å; L49-Y78 HydrophobicContact CD2-CG 4.01Å; L49-Y78 HydrophobicContact CG-CD2 4.4Å; L49-L914 HydrophobicContact CD1-CB 4.32Å; L49-L914 HydrophobicContact CD2-CD2 4.44Å | ||
| 50 | P | 85 | Confident | 86.5 | Confident | 87 Ų | 87 | 67.4 Ų | 67.4 | 57% | 0.565 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -60.8 | -39.8 | -179 | -24.9 | 34.8 | 0 | 0 | 0 | 113.4 | Y78 C87 | P50-Y78 HydrophobicContact CB-CE1 4.15Å; P50-Y78 HydrophobicContact CG-CD1 4.01Å; P50-Y78 HydrophobicContact CG-CE1 3.71Å; P50-C87 HydrophobicContact CG-CB 4.2Å |
| 51 | D | 82.7 | Confident | 87.2 | Confident | 80 Ų | 80 | 65.1 Ų | 65.1 | 43% | 0.428 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -96.9 | 166.8 | 168 | -74.5 | -16.7 | 0 | 0 | 0 | 110.7 | L49 P53 N74 Y78 | L49-D51 VanDerWaalsContact C-N 3.33Å; L49-D51 CarbonylContact C-O 3.57Å; L49-D51 WeakPolarHBondContact CB-O 3.46Å; L49-D51 PolarHBondContact O-N 3.37Å; D51-P53 VanDerWaalsContact C-CD 3.41Å; D51-P53 WeakPolarHBondContact O-CD 3.4Å; D51-N74 PolarHBondContact OD2-ND2 3.43Å; D51-Y78 WeakPolarHBondContact CB-OH 3.26Å; D51-Y78 VanDerWaalsContact CG-OH 3.26Å; D51-Y78 PolarHBondContact OD2-OH 3.08Å; D51-Y78 VanDerWaalsContact OD2-OH 3.05Å |
| 52 | S | 84.9 | Confident | 87.8 | Confident | 118 Ų | 118 | 58.4 Ų | 58.4 | 83% | 0.825 | 30% | 0.296 | S | S | * | . | trans | -95.9 | 84.2 | 157.5 | 41.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 53 | P | 84.7 | Confident | 88.1 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | trans | -62.7 | 159 | 178.8 | 27.9 | -36 | 0 | 0 | 0 | 111.1 | L49 D51 H72 G912 | L49-P53 HydrophobicContact CD1-CG 3.8Å; D51-P53 VanDerWaalsContact C-CD 3.41Å; D51-P53 WeakPolarHBondContact O-CD 3.4Å; P53-H72 HydrophobicContact CB-CB 3.88Å; P53-H72 VanDerWaalsContact CG-ND1 3.35Å; P53-H72 WeakPolarHBondContact CG-ND1 3.45Å; P53-G912 WeakPolarHBondContact O-CA 3.45Å | ||
| 54 | R | 83.1 | Confident | 88.1 | Confident | 159 Ų | 159 | 55 Ų | 55 | 60% | 0.6 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -87.7 | -21.8 | -177.8 | -65.7 | -178 | 175.5 | -145.7 | -5.2 | 114.5 | V73 K911 G912 | R54-V73 HydrophobicContact CB-CB 4.21Å; R54-V73 HydrophobicContact CB-CG1 4.13Å; R54-V73 HydrophobicContact CB-CG2 4.43Å; R54-K911 CarbonylContact C-O 3.59Å; R54-K911 CarbonylContact O-C 3.57Å; R54-K911 WeakPolarHBondContact O-CA 3.42Å; R54-G912 PolarHBondContact O-N 2.93Å |
| 55 | S | 86.3 | Confident | 88 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | trans | -166 | 137.6 | 177.7 | 170 | 0 | 0 | 0 | 0 | 109.5 | H72 V73 N893 G912 | S55-H72 WeakPolarHBondContact O-CA 3.43Å; S55-V73 PolarHBondContact O-N 2.96Å; S55-V73 VanDerWaalsContact O-N 3.1Å; S55-N893 PolarHBondContact OG-ND2 3.14Å; S55-G912 VanDerWaalsContact CA-N 3.35Å | ||
| 56 | T | 89.5 | Confident | 88.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.8 | 175 | -46.5 | 0 | 0 | 0 | 0 | 108 | L59 T71 H72 N893 T909 G912 | T56-L59 HydrophobicContact CG2-CD2 4.19Å; T56-T71 CarbonylContact C-O 3.48Å; T56-T71 WeakPolarHBondContact CA-O 3.43Å; T56-H72 VanDerWaalsContact CG2-CE1 3.47Å; T56-H72 WeakPolarHBondContact CG2-CE1 3.2Å; T56-H72 PolarHBondContact OG1-CE1 3.22Å; T56-H72 VanDerWaalsContact OG1-CE1 3.31Å; T56-H72 PolarHBondContact OG1-ND1 3.29Å; T56-N893 WeakPolarHBondContact O-CB 3.31Å; T56-N893 PolarHBondContact O-ND2 3.27Å; T56-T909 PolarHBondContact N-O 3.47Å; T56-G912 WeakPolarHBondContact OG1-CA 3.15Å; T56-G912 PolarHBondContact OG1-O 2.86Å |
| 57 | F | 87.4 | Confident | 88.3 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -55.9 | -171.1 | -69.5 | -74.1 | 0 | 0 | 0 | 114.1 | T71 V73 T97 W99 S894 | F57-T71 PolarHBondContact N-O 3.5Å; F57-V73 HydrophobicContact CE2-CB 4.37Å; F57-V73 HydrophobicContact CE2-CG2 3.39Å; F57-V73 HydrophobicContact CZ-CG2 3.61Å; F57-T97 HydrophobicContact CD2-CG2 3.61Å; F57-T97 HydrophobicContact CE2-CG2 3.43Å; F57-T97 VanDerWaalsContact CE2-CG2 3.43Å; F57-T97 HydrophobicContact CZ-CG2 4.36Å; F57-W99 HydrophobicContact CD1-CZ3 4.15Å; F57-W99 HydrophobicContact CE1-CZ3 4.22Å; F57-S894 VanDerWaalsContact O-CB 3.27Å; F57-S894 WeakPolarHBondContact O-CB 3.48Å |
| 58 | L | 91.8 | Very high | 88.5 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 150.2 | -173.8 | -163.6 | 69.8 | 0 | 0 | 0 | 111.8 | S70 T71 C100 V101 D773 A774 | L58-S70 WeakPolarHBondContact O-CA 3.47Å; L58-T71 PolarHBondContact N-OG1 3Å; L58-T71 PolarHBondContact O-N 2.91Å; L58-T71 VanDerWaalsContact O-N 3.16Å; L58-C100 HydrophobicContact CD2-CB 4.34Å; L58-V101 HydrophobicContact CD2-CG1 4.41Å; L58-D773 HydrophobicContact CD1-CB 3.98Å; L58-D773 HydrophobicContact CD2-CB 3.93Å; L58-A774 HydrophobicContact CD1-CB 3.92Å |
| 59 | L | 95.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.5 | 177.1 | -61.8 | -174.6 | 0 | 0 | 0 | 111.7 | T56 L68 A69 S894 R896 A906 L914 | T56-L59 HydrophobicContact CG2-CD2 4.19Å; L59-L68 HydrophobicContact CB-CD1 3.99Å; L59-L68 HydrophobicContact CD2-CD1 4.19Å; L59-L68 HydrophobicContact CG-CD1 4.48Å; L59-A69 WeakPolarHBondContact CA-O 3.07Å; L59-S894 PolarHBondContact N-OG 3.45Å; L59-R896 HydrophobicContact CB-CG 4.36Å; L59-A906 HydrophobicContact CD1-CB 4.36Å; L59-L914 HydrophobicContact CD1-CD1 4.03Å; L59-L914 HydrophobicContact CD2-CD1 3.68Å |
| 60 | A | 94.6 | Very high | 89.1 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 12% | 0.116 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 143.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | L68 A69 V101 F103 | A60-L68 CarbonylContact O-C 3.48Å; A60-L68 WeakPolarHBondContact O-CA 3.36Å; A60-L68 WeakPolarHBondContact O-CD1 3.41Å; A60-A69 PolarHBondContact N-O 3.08Å; A60-A69 VanDerWaalsContact N-O 3.13Å; A60-A69 PolarHBondContact O-N 3.4Å; A60-V101 HydrophobicContact CB-CG1 4.21Å; A60-F103 HydrophobicContact CB-CD2 4.27Å; A60-F103 WeakPolarHBondContact O-CE2 3.44Å |
| 61 | F | 93.1 | Very high | 89.5 | Confident | 39 Ų | 39 | 37.2 Ų | 37.2 | 17% | 0.171 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 151.7 | 176.7 | -66.2 | -74.3 | 0 | 0 | 0 | 111.8 | L67 L68 V82 F103 R896 W897 L898 P899 A906 | F61-L67 WeakPolarHBondContact CA-O 3.39Å; F61-L68 HydrophobicContact CD1-CB 4.04Å; F61-L68 HydrophobicContact CD1-CD1 3.96Å; F61-L68 HydrophobicContact CD1-CG 4.48Å; F61-L68 HydrophobicContact CE1-CB 4Å; F61-L68 HydrophobicContact CE1-CD1 3.71Å; F61-L68 HydrophobicContact CE1-CD2 4.05Å; F61-L68 HydrophobicContact CE1-CG 4.13Å; F61-L68 HydrophobicContact CZ-CD1 4.09Å; F61-V82 HydrophobicContact CD1-CG2 3.95Å; F61-V82 HydrophobicContact CE1-CG2 3.95Å; F61-F103 WeakPolarHBondContact O-CB 3.45Å; F61-F103 WeakPolarHBondContact O-CD2 3.43Å; F61-R896 HydrophobicContact CD2-CB 4.48Å; F61-R896 HydrophobicContact CE2-CB 3.6Å; F61-R896 HydrophobicContact CE2-CG 4.33Å; F61-R896 HydrophobicContact CZ-CB 4.34Å; F61-W897 WeakPolarHBondContact CE2-O 3.49Å; F61-L898 HydrophobicContact CE1-CD2 3.66Å; F61-L898 HydrophobicContact CZ-CD2 3.64Å; F61-P899 HydrophobicContact CB-CG 3.89Å; F61-P899 HydrophobicContact CD1-CG 3.88Å; F61-P899 HydrophobicContact CD2-CG 3.71Å; F61-P899 HydrophobicContact CE1-CG 4.36Å; F61-P899 HydrophobicContact CE2-CG 4.19Å; F61-P899 HydrophobicContact CG-CG 3.55Å; F61-A906 HydrophobicContact CZ-CB 4.23Å |
| 62 | S | 92.3 | Very high | 89.8 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | trans | -69.1 | 156.4 | 168.9 | 68.3 | 0 | 0 | 0 | 0 | 111.9 | D64 R65 T66 L67 | S62-D64 VanDerWaalsContact C-N 3.32Å; S62-D64 WeakPolarHBondContact CB-OD1 3.29Å; S62-D64 PolarHBondContact O-N 3.3Å; S62-D64 PolarHBondContact OG-OD1 3.44Å; S62-R65 WeakPolarHBondContact O-CA 3.32Å; S62-R65 PolarHBondContact O-N 3.32Å; S62-R65 PolarHBondContact OG-N 2.87Å; S62-T66 PolarHBondContact OG-N 2.9Å; S62-L67 PolarHBondContact N-O 3.05Å; S62-L67 PolarHBondContact OG-N 3.17Å; S62-L67 PolarHBondContact OG-O 3.46Å | ||
| 63 | P | 86.2 | Confident | 89.9 | Confident | 36 Ų | 36 | 30 Ų | 30 | 23% | 0.234 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -31.6 | -174.3 | 28.5 | -37.4 | 0 | 0 | 0 | 113.5 | R65 H104 P105 | P63-R65 PolarHBondContact O-N 2.99Å; P63-H104 WeakPolarHBondContact CD-O 3.45Å; P63-H104 VanDerWaalsContact CG-O 3.3Å; P63-H104 WeakPolarHBondContact CG-O 3.32Å; P63-P105 VanDerWaalsContact CB-C 3.45Å; P63-P105 WeakPolarHBondContact CB-O 3.49Å |
| 64 | D | 83.1 | Confident | 90 | Very high | 75 Ų | 75 | 31.3 Ų | 31.3 | 40% | 0.401 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -4.7 | 171.5 | 71.7 | -45.5 | 0 | 0 | 0 | 113.1 | S62 T66 | S62-D64 VanDerWaalsContact C-N 3.32Å; S62-D64 WeakPolarHBondContact CB-OD1 3.29Å; S62-D64 PolarHBondContact O-N 3.3Å; S62-D64 PolarHBondContact OG-OD1 3.44Å; D64-T66 PolarHBondContact O-N 2.92Å; D64-T66 WeakPolarHBondContact OD2-CB 3.48Å; D64-T66 WeakPolarHBondContact OD2-CG2 3.45Å; D64-T66 PolarHBondContact OD2-OG1 2.88Å |
| 65 | R | 83.7 | Confident | 90.4 | Very high | 119 Ų | 119 | 27 Ų | 27 | 45% | 0.449 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 71.1 | 7 | 169.4 | -52.1 | 164.7 | -174.2 | -111.4 | -11.2 | 114.9 | S62 P63 P899 | S62-R65 WeakPolarHBondContact O-CA 3.32Å; S62-R65 PolarHBondContact O-N 3.32Å; S62-R65 PolarHBondContact OG-N 2.87Å; P63-R65 PolarHBondContact O-N 2.99Å; R65-P899 HydrophobicContact CB-CB 3.75Å; R65-P899 HydrophobicContact CB-CG 3.91Å; R65-P899 HydrophobicContact CG-CB 3.42Å; R65-P899 VanDerWaalsContact CG-CB 3.42Å; R65-P899 HydrophobicContact CG-CG 3.95Å; R65-P899 PolarHBondContact NH1-O 3.35Å |
| 66 | T | 88.4 | Confident | 90.7 | Very high | 51 Ų | 51 | 27.6 Ų | 27.6 | 31% | 0.313 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -84.4 | -25.8 | -180 | 67.6 | 0 | 0 | 0 | 0 | 113.7 | S62 D64 V82 | S62-T66 PolarHBondContact OG-N 2.9Å; D64-T66 PolarHBondContact O-N 2.92Å; D64-T66 WeakPolarHBondContact OD2-CB 3.48Å; D64-T66 WeakPolarHBondContact OD2-CG2 3.45Å; D64-T66 PolarHBondContact OD2-OG1 2.88Å; T66-V82 WeakPolarHBondContact O-CB 3.36Å; T66-V82 WeakPolarHBondContact O-CG2 3.4Å; T66-V82 PolarHBondContact O-N 2.78Å |
| 67 | L | 93.6 | Very high | 91 | Very high | 27 Ų | 27 | 27.6 Ų | 27.6 | 14% | 0.141 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 152.7 | -175.3 | -54.1 | 177.3 | 0 | 0 | 0 | 112.7 | F61 S62 I79 T80 E81 F103 L125 | F61-L67 WeakPolarHBondContact CA-O 3.39Å; S62-L67 PolarHBondContact N-O 3.05Å; S62-L67 PolarHBondContact OG-N 3.17Å; S62-L67 PolarHBondContact OG-O 3.46Å; L67-I79 HydrophobicContact CB-CG2 4Å; L67-I79 HydrophobicContact CD1-CG2 3.94Å; L67-I79 HydrophobicContact CD2-CG2 4.31Å; L67-I79 HydrophobicContact CG-CG2 4.31Å; L67-T80 CarbonylContact C-O 3.6Å; L67-T80 WeakPolarHBondContact CA-O 3.43Å; L67-E81 HydrophobicContact CD2-CB 4.5Å; L67-F103 HydrophobicContact CB-CZ 4.07Å; L67-L125 HydrophobicContact CD1-CD1 3.56Å |
| 68 | L | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 112 | 179.5 | 170.4 | 56.1 | 0 | 0 | 0 | 109.5 | L59 A60 F61 T80 V82 A906 L914 I916 | L59-L68 HydrophobicContact CB-CD1 3.99Å; L59-L68 HydrophobicContact CD2-CD1 4.19Å; L59-L68 HydrophobicContact CG-CD1 4.48Å; A60-L68 CarbonylContact O-C 3.48Å; A60-L68 WeakPolarHBondContact O-CA 3.36Å; A60-L68 WeakPolarHBondContact O-CD1 3.41Å; F61-L68 HydrophobicContact CD1-CB 4.04Å; F61-L68 HydrophobicContact CD1-CD1 3.96Å; F61-L68 HydrophobicContact CD1-CG 4.48Å; F61-L68 HydrophobicContact CE1-CB 4Å; F61-L68 HydrophobicContact CE1-CD1 3.71Å; F61-L68 HydrophobicContact CE1-CD2 4.05Å; F61-L68 HydrophobicContact CE1-CG 4.13Å; F61-L68 HydrophobicContact CZ-CD1 4.09Å; L68-T80 PolarHBondContact N-O 3.45Å; L68-T80 PolarHBondContact O-N 2.55Å; L68-V82 HydrophobicContact CB-CG2 3.86Å; L68-A906 HydrophobicContact CD2-CB 3.92Å; L68-L914 HydrophobicContact CD2-CD1 4.26Å; L68-L914 HydrophobicContact CD2-CD2 4.44Å; L68-I916 HydrophobicContact CD2-CD1 4.41Å; L68-I916 HydrophobicContact CD2-CG1 4.49Å |
| 69 | A | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 139.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L59 A60 I77 I79 V101 F103 | L59-A69 WeakPolarHBondContact CA-O 3.07Å; A60-A69 PolarHBondContact N-O 3.08Å; A60-A69 VanDerWaalsContact N-O 3.13Å; A60-A69 PolarHBondContact O-N 3.4Å; A69-I77 HydrophobicContact CB-CG2 4.31Å; A69-I79 HydrophobicContact CB-CD1 3.61Å; A69-V101 HydrophobicContact CB-CG1 4.45Å; A69-V101 HydrophobicContact CB-CG2 4Å; A69-F103 HydrophobicContact CB-CD2 4.25Å; A69-F103 HydrophobicContact CB-CE2 3.47Å; A69-F103 VanDerWaalsContact CB-CE2 3.47Å; A69-F103 HydrophobicContact CB-CZ 4.08Å |
| 70 | S | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 130.8 | -179.7 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | L58 H72 I77 Y78 | L58-S70 WeakPolarHBondContact O-CA 3.47Å; S70-H72 WeakPolarHBondContact CB-NE2 3.19Å; S70-H72 PolarHBondContact O-CD2 3.31Å; S70-H72 PolarHBondContact O-NE2 3.26Å; S70-H72 PolarHBondContact OG-NE2 2.76Å; S70-I77 WeakPolarHBondContact O-CA 3.41Å; S70-I77 WeakPolarHBondContact O-CG2 3.47Å; S70-Y78 PolarHBondContact N-O 2.56Å; S70-Y78 PolarHBondContact O-N 2.98Å; S70-Y78 PolarHBondContact OG-O 3.36Å |
| 71 | T | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 143.5 | -179.4 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | T56 F57 L58 I77 P98 V101 | T56-T71 CarbonylContact C-O 3.48Å; T56-T71 WeakPolarHBondContact CA-O 3.43Å; F57-T71 PolarHBondContact N-O 3.5Å; L58-T71 PolarHBondContact N-OG1 3Å; L58-T71 PolarHBondContact O-N 2.91Å; L58-T71 VanDerWaalsContact O-N 3.16Å; T71-I77 HydrophobicContact CG2-CD1 4.41Å; T71-I77 HydrophobicContact CG2-CG1 4.27Å; T71-I77 HydrophobicContact CG2-CG2 4.5Å; T71-P98 WeakPolarHBondContact CB-O 3.34Å; T71-P98 HydrophobicContact CG2-CB 3.87Å; T71-P98 HydrophobicContact CG2-CG 3.91Å; T71-P98 PolarHBondContact OG1-O 2.81Å; T71-V101 HydrophobicContact CG2-CB 3.65Å; T71-V101 HydrophobicContact CG2-CG1 3.6Å |
| 72 | H | 89.6 | Confident | 91.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 157.1 | -165.5 | -65.7 | -81.3 | 0 | 0 | 0 | 114.8 | P53 S55 T56 S70 N74 H75 N76 Y78 | P53-H72 HydrophobicContact CB-CB 3.88Å; P53-H72 VanDerWaalsContact CG-ND1 3.35Å; P53-H72 WeakPolarHBondContact CG-ND1 3.45Å; S55-H72 WeakPolarHBondContact O-CA 3.43Å; T56-H72 VanDerWaalsContact CG2-CE1 3.47Å; T56-H72 WeakPolarHBondContact CG2-CE1 3.2Å; T56-H72 PolarHBondContact OG1-CE1 3.22Å; T56-H72 VanDerWaalsContact OG1-CE1 3.31Å; T56-H72 PolarHBondContact OG1-ND1 3.29Å; S70-H72 WeakPolarHBondContact CB-NE2 3.19Å; S70-H72 PolarHBondContact O-CD2 3.31Å; S70-H72 PolarHBondContact O-NE2 3.26Å; S70-H72 PolarHBondContact OG-NE2 2.76Å; H72-N74 WeakPolarHBondContact CB-OD1 3.3Å; H72-N74 PolarHBondContact O-N 3.25Å; H72-H75 PolarHBondContact O-N 2.57Å; H72-H75 VanDerWaalsContact O-N 3.1Å; H72-N76 PolarHBondContact N-O 2.96Å; H72-Y78 AromaticContact CD2-CD2 3.45Å; H72-Y78 VanDerWaalsContact CD2-CD2 3.45Å; H72-Y78 WeakPolarHBondContact CD2-CD2 3.28Å; H72-Y78 AromaticContact NE2-CD2 3.59Å |
| 73 | V | 87.1 | Confident | 91 | Very high | 46 Ų | 46 | 32.3 Ų | 32.3 | 28% | 0.279 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -27.8 | 176.8 | 169.4 | 0 | 0 | 0 | 0 | 113.9 | R54 S55 F57 H75 | R54-V73 HydrophobicContact CB-CB 4.21Å; R54-V73 HydrophobicContact CB-CG1 4.13Å; R54-V73 HydrophobicContact CB-CG2 4.43Å; S55-V73 PolarHBondContact O-N 2.96Å; S55-V73 VanDerWaalsContact O-N 3.1Å; F57-V73 HydrophobicContact CE2-CB 4.37Å; F57-V73 HydrophobicContact CE2-CG2 3.39Å; F57-V73 HydrophobicContact CZ-CG2 3.61Å; V73-H75 PolarHBondContact O-CE1 2.87Å; V73-H75 PolarHBondContact O-N 3.37Å; V73-H75 PolarHBondContact O-ND1 3.39Å |
| 74 | N | 86.4 | Confident | 91 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 23% | 0.225 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 10.8 | 176.6 | 66.4 | -19.1 | 0 | 0 | 0 | 113.6 | D51 H72 N76 Y78 | D51-N74 PolarHBondContact OD2-ND2 3.43Å; H72-N74 WeakPolarHBondContact CB-OD1 3.3Å; H72-N74 PolarHBondContact O-N 3.25Å; N74-N76 PolarHBondContact ND2-ND2 3.19Å; N74-N76 PolarHBondContact O-N 2.88Å; N74-N76 VanDerWaalsContact O-N 3.1Å; N74-Y78 PolarHBondContact ND2-OH 3.2Å |
| 75 | H | 90.8 | Very high | 91.2 | Very high | 67 Ų | 67 | 30.1 Ų | 30.1 | 31% | 0.31 | 15% | 0.15 | S | C | . | . | S | Bend | trans | 70.9 | -2.7 | 176.8 | -42.8 | -19.6 | 0 | 0 | 0 | 114.8 | H72 V73 R96 T97 P98 | H72-H75 PolarHBondContact O-N 2.57Å; H72-H75 VanDerWaalsContact O-N 3.1Å; V73-H75 PolarHBondContact O-CE1 2.87Å; V73-H75 PolarHBondContact O-N 3.37Å; V73-H75 PolarHBondContact O-ND1 3.39Å; H75-R96 VanDerWaalsContact CG-C 3.48Å; H75-T97 PolarHBondContact ND1-N 3.48Å; H75-T97 PolarHBondContact ND1-OG1 3Å; H75-P98 WeakPolarHBondContact O-CD 3.39Å |
| 76 | N | 93 | Very high | 91.6 | Very high | 21 Ų | 21 | 31 Ų | 31 | 11% | 0.112 | 16% | 0.157 | C | C | . | . | trans | -86.1 | 159.9 | 175 | -62.7 | -28.4 | 0 | 0 | 0 | 111.9 | H72 N74 Y78 | H72-N76 PolarHBondContact N-O 2.96Å; N74-N76 PolarHBondContact ND2-ND2 3.19Å; N74-N76 PolarHBondContact O-N 2.88Å; N74-N76 VanDerWaalsContact O-N 3.1Å; N76-Y78 HydrophobicContact CB-CE1 4.43Å; N76-Y78 HydrophobicContact CB-CE2 4.43Å; N76-Y78 PolarHBondContact ND2-OH 3.35Å | ||
| 77 | I | 95.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.8 | 167.6 | -48 | 179.9 | 0 | 0 | 0 | 107.8 | A69 S70 T71 I79 L91 P98 V101 S113 | A69-I77 HydrophobicContact CB-CG2 4.31Å; S70-I77 WeakPolarHBondContact O-CA 3.41Å; S70-I77 WeakPolarHBondContact O-CG2 3.47Å; T71-I77 HydrophobicContact CG2-CD1 4.41Å; T71-I77 HydrophobicContact CG2-CG1 4.27Å; T71-I77 HydrophobicContact CG2-CG2 4.5Å; I77-I79 HydrophobicContact CG2-CD1 4.22Å; I77-L91 HydrophobicContact CB-CB 4.16Å; I77-L91 HydrophobicContact CB-CD1 4.39Å; I77-L91 PolarHBondContact N-O 3.19Å; I77-L91 PolarHBondContact O-N 2.9Å; I77-P98 HydrophobicContact CD1-CB 4.04Å; I77-P98 HydrophobicContact CD1-CG 4.11Å; I77-P98 HydrophobicContact CG1-CB 4.14Å; I77-P98 HydrophobicContact CG1-CG 3.63Å; I77-V101 HydrophobicContact CD1-CG2 4.33Å; I77-V101 HydrophobicContact CG2-CG2 4.33Å; I77-S113 VanDerWaalsContact CD1-OG 3.3Å; I77-S113 WeakPolarHBondContact CD1-OG 3.16Å |
| 78 | Y | 96.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.9 | 176.9 | -65.7 | -58.3 | 0 | 0 | 0 | 110.8 | L49 P50 D51 S70 H72 N74 N76 S90 | L49-Y78 HydrophobicContact CB-CD2 4.33Å; L49-Y78 HydrophobicContact CD1-CD2 4.21Å; L49-Y78 HydrophobicContact CD2-CD2 3.96Å; L49-Y78 HydrophobicContact CD2-CG 4.01Å; L49-Y78 HydrophobicContact CG-CD2 4.4Å; P50-Y78 HydrophobicContact CB-CE1 4.15Å; P50-Y78 HydrophobicContact CG-CD1 4.01Å; P50-Y78 HydrophobicContact CG-CE1 3.71Å; D51-Y78 WeakPolarHBondContact CB-OH 3.26Å; D51-Y78 VanDerWaalsContact CG-OH 3.26Å; D51-Y78 PolarHBondContact OD2-OH 3.08Å; D51-Y78 VanDerWaalsContact OD2-OH 3.05Å; S70-Y78 PolarHBondContact N-O 2.56Å; S70-Y78 PolarHBondContact O-N 2.98Å; S70-Y78 PolarHBondContact OG-O 3.36Å; H72-Y78 AromaticContact CD2-CD2 3.45Å; H72-Y78 VanDerWaalsContact CD2-CD2 3.45Å; H72-Y78 WeakPolarHBondContact CD2-CD2 3.28Å; H72-Y78 AromaticContact NE2-CD2 3.59Å; N74-Y78 PolarHBondContact ND2-OH 3.2Å; N76-Y78 HydrophobicContact CB-CE1 4.43Å; N76-Y78 HydrophobicContact CB-CE2 4.43Å; N76-Y78 PolarHBondContact ND2-OH 3.35Å; Y78-S90 WeakPolarHBondContact CE1-OG 3.42Å |
| 79 | I | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 112.4 | 176 | -49.7 | -54.9 | 0 | 0 | 0 | 107.8 | L67 A69 I77 V88 H89 L91 I111 L125 | L67-I79 HydrophobicContact CB-CG2 4Å; L67-I79 HydrophobicContact CD1-CG2 3.94Å; L67-I79 HydrophobicContact CD2-CG2 4.31Å; L67-I79 HydrophobicContact CG-CG2 4.31Å; A69-I79 HydrophobicContact CB-CD1 3.61Å; I77-I79 HydrophobicContact CG2-CD1 4.22Å; I79-V88 PolarHBondContact O-N 3.4Å; I79-H89 HydrophobicContact CB-CB 4.02Å; I79-H89 HydrophobicContact CG1-CB 4.03Å; I79-H89 PolarHBondContact N-O 2.96Å; I79-H89 PolarHBondContact O-N 3.5Å; I79-L91 HydrophobicContact CD1-CD1 3.91Å; I79-L91 HydrophobicContact CD1-CG 4.49Å; I79-L91 HydrophobicContact CG1-CD1 4.08Å; I79-L91 HydrophobicContact CG1-CG 4.19Å; I79-I111 HydrophobicContact CD1-CD1 3.5Å; I79-I111 HydrophobicContact CG1-CD1 4.3Å; I79-L125 HydrophobicContact CG1-CD2 4.06Å; I79-L125 HydrophobicContact CG2-CD1 4.06Å |
| 80 | T | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 134.4 | -176.5 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | V47 L67 L68 V82 K86 I916 | V47-T80 HydrophobicContact CB-CG2 4.45Å; V47-T80 HydrophobicContact CG1-CG2 3.63Å; V47-T80 HydrophobicContact CG2-CG2 3.91Å; L67-T80 CarbonylContact C-O 3.6Å; L67-T80 WeakPolarHBondContact CA-O 3.43Å; L68-T80 PolarHBondContact N-O 3.45Å; L68-T80 PolarHBondContact O-N 2.55Å; T80-V82 PolarHBondContact O-N 3.46Å; T80-K86 CarbonylContact C-O 3.54Å; T80-K86 WeakPolarHBondContact CA-O 3.24Å; T80-K86 WeakPolarHBondContact CG2-O 3.42Å; T80-I916 HydrophobicContact CG2-CD1 4.42Å |
| 81 | E | 92.4 | Very high | 91.6 | Very high | 53 Ų | 53 | 39 Ų | 39 | 25% | 0.248 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 124.6 | 170.2 | -167.8 | -155.4 | 156.1 | 0 | 0 | 110.3 | L67 K83 T84 G85 K86 V88 | L67-E81 HydrophobicContact CD2-CB 4.5Å; E81-K83 VanDerWaalsContact C-N 3.3Å; E81-K83 PolarHBondContact O-N 2.7Å; E81-K83 WeakPolarHBondContact OE1-CB 3.48Å; E81-T84 WeakPolarHBondContact OE2-CB 3.48Å; E81-T84 WeakPolarHBondContact OE2-CG2 3.33Å; E81-T84 PolarHBondContact OE2-OG1 2.87Å; E81-G85 VanDerWaalsContact O-CA 3.29Å; E81-G85 WeakPolarHBondContact O-CA 3.14Å; E81-G85 PolarHBondContact O-N 2.93Å; E81-K86 PolarHBondContact N-O 3.43Å; E81-V88 HydrophobicContact CB-CG2 3.85Å |
| 82 | V | 89.4 | Confident | 91.6 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -30.1 | -174.6 | 174.9 | 0 | 0 | 0 | 0 | 112.5 | F61 T66 L68 T80 L898 R918 | F61-V82 HydrophobicContact CD1-CG2 3.95Å; F61-V82 HydrophobicContact CE1-CG2 3.95Å; T66-V82 WeakPolarHBondContact O-CB 3.36Å; T66-V82 WeakPolarHBondContact O-CG2 3.4Å; T66-V82 PolarHBondContact O-N 2.78Å; L68-V82 HydrophobicContact CB-CG2 3.86Å; T80-V82 PolarHBondContact O-N 3.46Å; V82-L898 HydrophobicContact CG1-CD1 4.35Å; V82-L898 HydrophobicContact CG1-CD2 3.74Å; V82-R918 PolarHBondContact O-NH2 3.21Å |
| 83 | K | 85.7 | Confident | 91.5 | Very high | 130 Ų | 130 | 46.3 Ų | 46.3 | 57% | 0.565 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -52.6 | 180 | -62.8 | -180 | 176.4 | -178.3 | 0 | 113.1 | E81 R918 | E81-K83 VanDerWaalsContact C-N 3.3Å; E81-K83 PolarHBondContact O-N 2.7Å; E81-K83 WeakPolarHBondContact OE1-CB 3.48Å; K83-R918 PolarHBondContact O-NH1 2.72Å; K83-R918 PolarHBondContact O-NH2 2.97Å |
| 84 | T | 86.6 | Confident | 91.7 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 34% | 0.337 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -27.4 | -179.9 | 63.3 | 0 | 0 | 0 | 0 | 113.4 | E81 K86 | E81-T84 WeakPolarHBondContact OE2-CB 3.48Å; E81-T84 WeakPolarHBondContact OE2-CG2 3.33Å; E81-T84 PolarHBondContact OE2-OG1 2.87Å; T84-K86 VanDerWaalsContact C-N 3.31Å; T84-K86 WeakPolarHBondContact OG1-CB 3.08Å; T84-K86 PolarHBondContact OG1-N 3.32Å |
| 85 | G | 87.2 | Confident | 91.9 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | trans | 74.1 | 20 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E81 | E81-G85 VanDerWaalsContact O-CA 3.29Å; E81-G85 WeakPolarHBondContact O-CA 3.14Å; E81-G85 PolarHBondContact O-N 2.93Å | ||
| 86 | K | 90.9 | Very high | 91.8 | Very high | 138 Ų | 138 | 53.8 Ų | 53.8 | 60% | 0.6 | 27% | 0.269 | S | S | * | . | B | Isolated β-bridge | trans | -92.9 | 143.1 | 175.9 | -65.3 | 176.5 | 178 | 179.7 | 0 | 111.1 | T80 E81 T84 | T80-K86 CarbonylContact C-O 3.54Å; T80-K86 WeakPolarHBondContact CA-O 3.24Å; T80-K86 WeakPolarHBondContact CG2-O 3.42Å; E81-K86 PolarHBondContact N-O 3.43Å; T84-K86 VanDerWaalsContact C-N 3.31Å; T84-K86 WeakPolarHBondContact OG1-CB 3.08Å; T84-K86 PolarHBondContact OG1-N 3.32Å |
| 87 | C | 94.1 | Very high | 91.5 | Very high | 33 Ų | 33 | 53.5 Ų | 53.5 | 22% | 0.223 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 127.9 | 165.3 | -170.6 | 0 | 0 | 0 | 0 | 110 | P50 H89 | P50-C87 HydrophobicContact CG-CB 4.2Å; C87-H89 PolarHBondContact SG-O 2.81Å |
| 88 | V | 93.9 | Very high | 91.3 | Very high | 79 Ų | 79 | 53.4 Ų | 53.4 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -40.9 | -179 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | I79 E81 | I79-V88 PolarHBondContact O-N 3.4Å; E81-V88 HydrophobicContact CB-CG2 3.85Å |
| 89 | H | 92.9 | Very high | 91 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.7 | 176.3 | -52.5 | -97.4 | 0 | 0 | 0 | 111.5 | I79 C87 L125 | I79-H89 HydrophobicContact CB-CB 4.02Å; I79-H89 HydrophobicContact CG1-CB 4.03Å; I79-H89 PolarHBondContact N-O 2.96Å; I79-H89 PolarHBondContact O-N 3.5Å; C87-H89 PolarHBondContact SG-O 2.81Å; H89-L125 HydrophobicContact CB-CD2 4.42Å |
| 90 | S | 94.1 | Very high | 90.8 | Very high | 47 Ų | 47 | 55.8 Ų | 55.8 | 33% | 0.329 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.1 | 164.7 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | Y78 I92 | Y78-S90 WeakPolarHBondContact CE1-OG 3.42Å; S90-I92 WeakPolarHBondContact OG-CG1 3.49Å |
| 91 | L | 94.5 | Very high | 90.9 | Very high | 19 Ų | 19 | 56.1 Ų | 56.1 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 115.3 | 175.6 | -48.7 | 176.1 | 0 | 0 | 0 | 107.9 | I77 I79 I111 W123 L125 | I77-L91 HydrophobicContact CB-CB 4.16Å; I77-L91 HydrophobicContact CB-CD1 4.39Å; I77-L91 PolarHBondContact N-O 3.19Å; I77-L91 PolarHBondContact O-N 2.9Å; I79-L91 HydrophobicContact CD1-CD1 3.91Å; I79-L91 HydrophobicContact CD1-CG 4.49Å; I79-L91 HydrophobicContact CG1-CD1 4.08Å; I79-L91 HydrophobicContact CG1-CG 4.19Å; L91-I111 HydrophobicContact CD1-CD1 4.14Å; L91-W123 HydrophobicContact CB-CD2 3.96Å; L91-W123 HydrophobicContact CB-CE3 3.93Å; L91-W123 HydrophobicContact CB-CH2 3.95Å; L91-W123 HydrophobicContact CB-CZ2 3.96Å; L91-W123 HydrophobicContact CB-CZ3 3.94Å; L91-W123 HydrophobicContact CD1-CB 4.1Å; L91-W123 HydrophobicContact CD1-CD2 3.95Å; L91-W123 HydrophobicContact CD1-CG 3.78Å; L91-W123 HydrophobicContact CD2-CD2 4.38Å; L91-W123 HydrophobicContact CD2-CE3 4.15Å; L91-W123 HydrophobicContact CG-CD2 4.32Å; L91-W123 HydrophobicContact CG-CE3 4.41Å; L91-L125 HydrophobicContact CD1-CD2 4.34Å; L91-L125 HydrophobicContact CD2-CD2 3.92Å |
| 92 | I | 92.7 | Very high | 91.1 | Very high | 113 Ų | 113 | 55.2 Ų | 55.2 | 58% | 0.579 | 28% | 0.277 | S | S | * | . | trans | -123 | 136.6 | -170.5 | -53.9 | -179.9 | 0 | 0 | 0 | 108 | S90 W123 | S90-I92 WeakPolarHBondContact OG-CG1 3.49Å; I92-W123 WeakPolarHBondContact O-CH2 3.5Å | ||
| 93 | G | 87.4 | Confident | 91.3 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 40% | 0.402 | 28% | 0.276 | S | S | . | . | trans | 147.7 | -16.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R95 R121 | G93-R95 PolarHBondContact O-N 3.13Å; G93-R121 VanDerWaalsContact C-NH1 3.33Å; G93-R121 PolarHBondContact O-NH1 3.45Å; G93-R121 PolarHBondContact O-NH2 3.04Å | ||
| 94 | H | 90.8 | Very high | 91.8 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | trans | -66.3 | 130.8 | 176 | -84.7 | -57.7 | 0 | 0 | 0 | 111.7 | R96 S113 C115 E119 R121 W123 | H94-R96 WeakPolarHBondContact CB-O 3.36Å; H94-R96 PolarHBondContact O-N 2.92Å; H94-S113 PolarHBondContact NE2-O 3.12Å; H94-C115 HydrophobicContact CB-CB 4.5Å; H94-E119 WeakPolarHBondContact CA-OE2 3.45Å; H94-E119 VanDerWaalsContact CE1-CB 3.43Å; H94-E119 WeakPolarHBondContact CE1-CB 3.45Å; H94-E119 WeakPolarHBondContact CE1-CG 3.29Å; H94-E119 IonicContact CE1-OE1 3.09Å; H94-E119 CovalentContact CE1-OE2 1.82Å; H94-E119 IonicContact CE1-OE2 3.6Å; H94-E119 PolarHBondContact CE1-OE2 3.15Å; H94-E119 IonicContact CG-OE2 2.71Å; H94-E119 IonicContact ND1-OE2 3.7Å; H94-E119 PolarHBondContact ND1-OE2 2.73Å; H94-E119 PolarHBondContact NE2-O 3.28Å; H94-E119 IonicContact NE2-OE2 2.68Å; H94-R121 PolarHBondContact CE1-NH1 2.81Å; H94-R121 PolarHBondContact ND1-NH1 3.4Å; H94-R121 VanDerWaalsContact ND1-NH1 3.16Å; H94-R121 PolarHBondContact NE2-N 2.96Å; H94-R121 VanDerWaalsContact NE2-N 3.11Å; H94-W123 AromaticContact CD2-CZ2 3.98Å | ||
| 95 | R | 89.4 | Confident | 91.9 | Very high | 177 Ų | 177 | 49.7 Ų | 49.7 | 67% | 0.668 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -63.5 | -22.8 | 179.9 | -62.8 | 179.3 | -178.2 | -107.8 | 0.3 | 113.1 | G93 E119 | G93-R95 PolarHBondContact O-N 3.13Å; R95-E119 PolarHBondContact N-OE2 3.04Å |
| 96 | R | 89.1 | Confident | 91.9 | Very high | 124 Ų | 124 | 53.3 Ų | 53.3 | 47% | 0.468 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -154.3 | 168.8 | -177.4 | -161.9 | 167.9 | -170.3 | 162.7 | 4.4 | 110.5 | H75 H94 P98 C115 L116 D117 | H75-R96 VanDerWaalsContact CG-C 3.48Å; H94-R96 WeakPolarHBondContact CB-O 3.36Å; H94-R96 PolarHBondContact O-N 2.92Å; R96-P98 WeakPolarHBondContact O-CD 3.21Å; R96-C115 WeakPolarHBondContact O-CB 3.46Å; R96-L116 HydrophobicContact CG-CB 4.18Å; R96-D117 HydrophobicContact CB-CB 4.5Å; R96-D117 VanDerWaalsContact CB-OD2 3.28Å; R96-D117 WeakPolarHBondContact CB-OD2 3.39Å; R96-D117 WeakPolarHBondContact CD-OD1 3.41Å; R96-D117 WeakPolarHBondContact CD-OD2 3.48Å; R96-D117 IonicContact CZ-OD1 3.55Å; R96-D117 IonicContact NE-OD1 3.49Å; R96-D117 IonicContact NH1-OD1 2.72Å; R96-D117 PolarHBondContact NH1-OD1 3.11Å |
| 97 | T | 87.8 | Confident | 91.9 | Very high | 14 Ų | 14 | 50.6 Ų | 50.6 | 9% | 0.086 | 27% | 0.265 | C | S | . | . | trans | -41.8 | 118 | -179.5 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | F57 H75 W99 C115 L116 | F57-T97 HydrophobicContact CD2-CG2 3.61Å; F57-T97 HydrophobicContact CE2-CG2 3.43Å; F57-T97 VanDerWaalsContact CE2-CG2 3.43Å; F57-T97 HydrophobicContact CZ-CG2 4.36Å; H75-T97 PolarHBondContact ND1-N 3.48Å; H75-T97 PolarHBondContact ND1-OG1 3Å; T97-W99 PolarHBondContact O-N 2.81Å; T97-C115 WeakPolarHBondContact O-CA 3.45Å; T97-L116 PolarHBondContact O-N 2.57Å | ||
| 98 | P | 91.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 115.2 | 166.4 | 23.4 | -27.4 | 0 | 0 | 0 | 108.1 | T71 H75 I77 R96 G114 | T71-P98 WeakPolarHBondContact CB-O 3.34Å; T71-P98 HydrophobicContact CG2-CB 3.87Å; T71-P98 HydrophobicContact CG2-CG 3.91Å; T71-P98 PolarHBondContact OG1-O 2.81Å; H75-P98 WeakPolarHBondContact O-CD 3.39Å; I77-P98 HydrophobicContact CD1-CB 4.04Å; I77-P98 HydrophobicContact CD1-CG 4.11Å; I77-P98 HydrophobicContact CG1-CB 4.14Å; I77-P98 HydrophobicContact CG1-CG 3.63Å; R96-P98 WeakPolarHBondContact O-CD 3.21Å; P98-G114 CarbonylContact C-O 3.56Å; P98-G114 WeakPolarHBondContact CA-O 3.4Å |
| 99 | W | 88.9 | Confident | 91.2 | Very high | 52 Ų | 52 | 48.5 Ų | 48.5 | 20% | 0.197 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -39.4 | -177 | -175.9 | -92.2 | 0 | 0 | 0 | 111.3 | F57 T97 G114 L116 N772 | F57-W99 HydrophobicContact CD1-CZ3 4.15Å; F57-W99 HydrophobicContact CE1-CZ3 4.22Å; T97-W99 PolarHBondContact O-N 2.81Å; W99-G114 PolarHBondContact N-O 3.42Å; W99-L116 HydrophobicContact CB-CD2 3.91Å; W99-L116 HydrophobicContact CB-CG 4.3Å; W99-L116 HydrophobicContact CD2-CD2 4.11Å; W99-L116 HydrophobicContact CE3-CD1 4.35Å; W99-L116 HydrophobicContact CE3-CD2 3.88Å; W99-L116 HydrophobicContact CE3-CG 4.41Å; W99-L116 HydrophobicContact CG-CD2 4.11Å; W99-N772 HydrophobicContact CZ2-CB 4.38Å |
| 100 | C | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 150.1 | 178.3 | 50.1 | 0 | 0 | 0 | 0 | 111.2 | L58 S113 G114 | L58-C100 HydrophobicContact CD2-CB 4.34Å; C100-S113 WeakPolarHBondContact O-CA 3.24Å; C100-G114 PolarHBondContact N-O 3.35Å; C100-G114 PolarHBondContact O-N 2.93Å |
| 101 | V | 96.5 | Very high | 91.3 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 142.6 | 175.4 | 66.7 | 0 | 0 | 0 | 0 | 108.8 | L58 A60 A69 T71 I77 I111 A112 | L58-V101 HydrophobicContact CD2-CG1 4.41Å; A60-V101 HydrophobicContact CB-CG1 4.21Å; A69-V101 HydrophobicContact CB-CG1 4.45Å; A69-V101 HydrophobicContact CB-CG2 4Å; T71-V101 HydrophobicContact CG2-CB 3.65Å; T71-V101 HydrophobicContact CG2-CG1 3.6Å; I77-V101 HydrophobicContact CD1-CG2 4.33Å; I77-V101 HydrophobicContact CG2-CG2 4.33Å; V101-I111 HydrophobicContact CG2-CG2 3.66Å; V101-A112 CarbonylContact C-O 3.47Å; V101-A112 WeakPolarHBondContact CA-O 3.5Å |
| 102 | T | 95.8 | Very high | 91.4 | Very high | 34 Ų | 34 | 43 Ų | 43 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 147.1 | 175 | -171.2 | 0 | 0 | 0 | 0 | 110.6 | I111 A112 L143 F145 | T102-I111 CarbonylContact O-C 3.52Å; T102-I111 WeakPolarHBondContact O-CA 3.39Å; T102-I111 WeakPolarHBondContact O-CG2 3.48Å; T102-A112 HydrophobicContact CG2-CB 4.1Å; T102-A112 PolarHBondContact N-O 3.07Å; T102-A112 PolarHBondContact O-N 3.43Å; T102-L143 HydrophobicContact CG2-CB 4.07Å; T102-F145 HydrophobicContact CG2-CD2 3.82Å; T102-F145 HydrophobicContact CG2-CE2 4.15Å |
| 103 | F | 95.4 | Very high | 91.6 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 154 | 170.2 | -81.8 | -95.7 | 0 | 0 | 0 | 110.2 | A60 F61 L67 A69 L110 I111 F145 | A60-F103 HydrophobicContact CB-CD2 4.27Å; A60-F103 WeakPolarHBondContact O-CE2 3.44Å; F61-F103 WeakPolarHBondContact O-CB 3.45Å; F61-F103 WeakPolarHBondContact O-CD2 3.43Å; L67-F103 HydrophobicContact CB-CZ 4.07Å; A69-F103 HydrophobicContact CB-CD2 4.25Å; A69-F103 HydrophobicContact CB-CE2 3.47Å; A69-F103 VanDerWaalsContact CB-CE2 3.47Å; A69-F103 HydrophobicContact CB-CZ 4.08Å; F103-L110 WeakPolarHBondContact CA-O 3.2Å; F103-I111 HydrophobicContact CD1-CD1 4.06Å; F103-I111 HydrophobicContact CD1-CG1 3.56Å; F103-I111 HydrophobicContact CE1-CD1 3.48Å; F103-I111 VanDerWaalsContact CE1-CD1 3.48Å; F103-I111 HydrophobicContact CE1-CG1 3.52Å; F103-I111 HydrophobicContact CE2-CD1 4.35Å; F103-I111 HydrophobicContact CG-CG1 4.15Å; F103-I111 HydrophobicContact CZ-CD1 3.66Å; F103-I111 HydrophobicContact CZ-CG1 4.1Å; F103-F145 WeakPolarHBondContact O-CD2 3.48Å |
| 104 | H | 94.4 | Very high | 91.9 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 3% | 0.032 | 18% | 0.177 | C | C | . | . | trans | -63.8 | 128.3 | 164.6 | -158.3 | -92.9 | 0 | 0 | 0 | 109 | P63 T106 I107 L110 F145 W165 | P63-H104 WeakPolarHBondContact CD-O 3.45Å; P63-H104 VanDerWaalsContact CG-O 3.3Å; P63-H104 WeakPolarHBondContact CG-O 3.32Å; H104-T106 PolarHBondContact CE1-OG1 3.32Å; H104-T106 PolarHBondContact ND1-OG1 3.11Å; H104-T106 PolarHBondContact O-N 3.14Å; H104-T106 VanDerWaalsContact O-N 3.16Å; H104-I107 HydrophobicContact CB-CB 4.02Å; H104-I107 WeakPolarHBondContact ND1-CG1 3.49Å; H104-I107 PolarHBondContact ND1-N 3.48Å; H104-L110 HydrophobicContact CB-CB 3.86Å; H104-L110 HydrophobicContact CB-CD2 4.02Å; H104-L110 HydrophobicContact CB-CG 4.25Å; H104-L110 PolarHBondContact N-O 2.58Å; H104-F145 HydrophobicContact CB-CD2 4.16Å; H104-F145 HydrophobicContact CB-CE2 4.13Å; H104-F145 HydrophobicContact CB-CZ 4.46Å; H104-F145 AromaticContact CD2-CD1 3.5Å; H104-F145 AromaticContact CD2-CE1 3.82Å; H104-F145 AromaticContact CD2-CG 3.65Å; H104-W165 AromaticContact CD2-CH2 3.74Å; H104-W165 AromaticContact NE2-CH2 3.62Å | ||
| 105 | P | 89.5 | Confident | 91.9 | Very high | 62 Ų | 62 | 35.1 Ų | 35.1 | 40% | 0.403 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -77.1 | -2.1 | -170.6 | 33.8 | -40.1 | 0 | 0 | 0 | 113.7 | P63 P147 | P63-P105 VanDerWaalsContact CB-C 3.45Å; P63-P105 WeakPolarHBondContact CB-O 3.49Å; P105-P147 HydrophobicContact CB-CB 4.39Å; P105-P147 VanDerWaalsContact CG-CA 3.47Å; P105-P147 HydrophobicContact CG-CB 3.54Å |
| 106 | T | 88.1 | Confident | 91.9 | Very high | 86 Ų | 86 | 29.5 Ų | 29.5 | 53% | 0.528 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -131 | -15 | 178 | 47.8 | 0 | 0 | 0 | 0 | 114.4 | H104 P147 | H104-T106 PolarHBondContact CE1-OG1 3.32Å; H104-T106 PolarHBondContact ND1-OG1 3.11Å; H104-T106 PolarHBondContact O-N 3.14Å; H104-T106 VanDerWaalsContact O-N 3.16Å; T106-P147 WeakPolarHBondContact CG2-O 3.44Å; T106-P147 PolarHBondContact OG1-O 3.02Å |
| 107 | I | 89.3 | Confident | 91.9 | Very high | 81 Ų | 81 | 25.7 Ų | 25.7 | 42% | 0.415 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -113.2 | 110.3 | -178.5 | -60.8 | 170.4 | 0 | 0 | 0 | 108.5 | H104 G109 L110 | H104-I107 HydrophobicContact CB-CB 4.02Å; H104-I107 WeakPolarHBondContact ND1-CG1 3.49Å; H104-I107 PolarHBondContact ND1-N 3.48Å; I107-G109 PolarHBondContact O-N 2.79Å; I107-L110 HydrophobicContact CB-CB 4.18Å; I107-L110 HydrophobicContact CD1-CD2 4.2Å; I107-L110 HydrophobicContact CG2-CB 3.84Å; I107-L110 PolarHBondContact O-N 2.7Å |
| 108 | S | 85.5 | Confident | 92 | Very high | 64 Ų | 64 | 25 Ų | 25 | 45% | 0.448 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 126 | 174.3 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 109 | G | 88 | Confident | 92.2 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 5% | 0.052 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94 | -9.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | I107 L125 | I107-G109 PolarHBondContact O-N 2.79Å; G109-L125 WeakPolarHBondContact O-CG 3.19Å; G109-L125 PolarHBondContact O-N 2.88Å |
| 110 | L | 93.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 22.6 Ų | 22.6 | 9% | 0.089 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 126.2 | 174 | -167.9 | 70.2 | 0 | 0 | 0 | 110.8 | F103 H104 I107 I122 F145 W165 | F103-L110 WeakPolarHBondContact CA-O 3.2Å; H104-L110 HydrophobicContact CB-CB 3.86Å; H104-L110 HydrophobicContact CB-CD2 4.02Å; H104-L110 HydrophobicContact CB-CG 4.25Å; H104-L110 PolarHBondContact N-O 2.58Å; I107-L110 HydrophobicContact CB-CB 4.18Å; I107-L110 HydrophobicContact CD1-CD2 4.2Å; I107-L110 HydrophobicContact CG2-CB 3.84Å; I107-L110 PolarHBondContact O-N 2.7Å; L110-I122 HydrophobicContact CD1-CG2 3.47Å; L110-I122 VanDerWaalsContact CD1-CG2 3.47Å; L110-I122 HydrophobicContact CG-CG2 4.24Å; L110-F145 HydrophobicContact CD2-CZ 4.44Å; L110-F145 HydrophobicContact CG-CZ 4.34Å; L110-W165 HydrophobicContact CD2-CH2 4.29Å; L110-W165 HydrophobicContact CD2-CZ2 3.53Å |
| 111 | I | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135.3 | -173.4 | -55.1 | 179.8 | 0 | 0 | 0 | 110.1 | I79 L91 V101 T102 F103 I122 W123 L125 | I79-I111 HydrophobicContact CD1-CD1 3.5Å; I79-I111 HydrophobicContact CG1-CD1 4.3Å; L91-I111 HydrophobicContact CD1-CD1 4.14Å; V101-I111 HydrophobicContact CG2-CG2 3.66Å; T102-I111 CarbonylContact O-C 3.52Å; T102-I111 WeakPolarHBondContact O-CA 3.39Å; T102-I111 WeakPolarHBondContact O-CG2 3.48Å; F103-I111 HydrophobicContact CD1-CD1 4.06Å; F103-I111 HydrophobicContact CD1-CG1 3.56Å; F103-I111 HydrophobicContact CE1-CD1 3.48Å; F103-I111 VanDerWaalsContact CE1-CD1 3.48Å; F103-I111 HydrophobicContact CE1-CG1 3.52Å; F103-I111 HydrophobicContact CE2-CD1 4.35Å; F103-I111 HydrophobicContact CG-CG1 4.15Å; F103-I111 HydrophobicContact CZ-CD1 3.66Å; F103-I111 HydrophobicContact CZ-CG1 4.1Å; I111-I122 CarbonylContact O-C 3.14Å; I111-I122 WeakPolarHBondContact O-CA 3.49Å; I111-W123 HydrophobicContact CB-CB 4.42Å; I111-W123 PolarHBondContact N-O 3.04Å; I111-W123 PolarHBondContact O-N 3.25Å; I111-L125 HydrophobicContact CD1-CD1 4.24Å; I111-L125 HydrophobicContact CD1-CD2 3.94Å; I111-L125 HydrophobicContact CD1-CG 4.13Å |
| 112 | A | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 142 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111 | V101 T102 R121 I122 L143 F145 L152 | V101-A112 CarbonylContact C-O 3.47Å; V101-A112 WeakPolarHBondContact CA-O 3.5Å; T102-A112 HydrophobicContact CG2-CB 4.1Å; T102-A112 PolarHBondContact N-O 3.07Å; T102-A112 PolarHBondContact O-N 3.43Å; A112-R121 CarbonylContact C-O 3.56Å; A112-R121 VanDerWaalsContact CA-O 3.3Å; A112-R121 WeakPolarHBondContact CA-O 3.47Å; A112-I122 HydrophobicContact CB-CD1 3.74Å; A112-L143 HydrophobicContact CB-CD1 4.1Å; A112-F145 HydrophobicContact CB-CD2 4.36Å; A112-F145 HydrophobicContact CB-CE1 4.24Å; A112-F145 HydrophobicContact CB-CE2 3.54Å; A112-F145 HydrophobicContact CB-CZ 3.49Å; A112-F145 VanDerWaalsContact CB-CZ 3.49Å; A112-L152 HydrophobicContact CB-CD1 3.62Å; A112-L152 HydrophobicContact CB-CD2 3.88Å; A112-L152 HydrophobicContact CB-CG 4.43Å |
| 113 | S | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 142.8 | 174.5 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | I77 H94 C100 V120 R121 W123 | I77-S113 VanDerWaalsContact CD1-OG 3.3Å; I77-S113 WeakPolarHBondContact CD1-OG 3.16Å; H94-S113 PolarHBondContact NE2-O 3.12Å; C100-S113 WeakPolarHBondContact O-CA 3.24Å; S113-V120 CarbonylContact O-C 3.58Å; S113-V120 WeakPolarHBondContact O-CA 3.33Å; S113-R121 PolarHBondContact N-O 2.91Å; S113-R121 PolarHBondContact O-N 3.44Å; S113-W123 PolarHBondContact OG-NE1 2.87Å |
| 114 | G | 93.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P98 W99 C100 E119 L143 | P98-G114 CarbonylContact C-O 3.56Å; P98-G114 WeakPolarHBondContact CA-O 3.4Å; W99-G114 PolarHBondContact N-O 3.42Å; C100-G114 PolarHBondContact N-O 3.35Å; C100-G114 PolarHBondContact O-N 2.93Å; G114-E119 WeakPolarHBondContact CA-O 3.17Å; G114-L143 VanDerWaalsContact N-CD1 3.35Å |
| 115 | C | 91.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 168.2 | -173.6 | 95.2 | 0 | 0 | 0 | 0 | 114.3 | H94 R96 T97 D117 G118 E119 I140 | H94-C115 HydrophobicContact CB-CB 4.5Å; R96-C115 WeakPolarHBondContact O-CB 3.46Å; T97-C115 WeakPolarHBondContact O-CA 3.45Å; C115-D117 PolarHBondContact O-N 2.65Å; C115-D117 PolarHBondContact SG-N 3.01Å; C115-G118 PolarHBondContact O-N 2.76Å; C115-E119 PolarHBondContact N-O 2.89Å; C115-I140 PolarHBondContact O-N 2.75Å |
| 116 | L | 89.5 | Confident | 92.4 | Very high | 59 Ų | 59 | 30.8 Ų | 30.8 | 31% | 0.309 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -9.6 | -179.6 | -67.2 | 178.2 | 0 | 0 | 0 | 115.2 | R96 T97 W99 A139 | R96-L116 HydrophobicContact CG-CB 4.18Å; T97-L116 PolarHBondContact O-N 2.57Å; W99-L116 HydrophobicContact CB-CD2 3.91Å; W99-L116 HydrophobicContact CB-CG 4.3Å; W99-L116 HydrophobicContact CD2-CD2 4.11Å; W99-L116 HydrophobicContact CE3-CD1 4.35Å; W99-L116 HydrophobicContact CE3-CD2 3.88Å; W99-L116 HydrophobicContact CE3-CG 4.41Å; W99-L116 HydrophobicContact CG-CD2 4.11Å; L116-A139 HydrophobicContact CD2-CB 4.15Å; L116-A139 WeakPolarHBondContact O-CB 3.24Å |
| 117 | D | 88.3 | Confident | 92.1 | Very high | 44 Ų | 44 | 29.3 Ų | 29.3 | 24% | 0.235 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 11.2 | 174 | -68.5 | -20.5 | 0 | 0 | 0 | 113 | R96 C115 N137 | R96-D117 HydrophobicContact CB-CB 4.5Å; R96-D117 VanDerWaalsContact CB-OD2 3.28Å; R96-D117 WeakPolarHBondContact CB-OD2 3.39Å; R96-D117 WeakPolarHBondContact CD-OD1 3.41Å; R96-D117 WeakPolarHBondContact CD-OD2 3.48Å; R96-D117 IonicContact CZ-OD1 3.55Å; R96-D117 IonicContact NE-OD1 3.49Å; R96-D117 IonicContact NH1-OD1 2.72Å; R96-D117 PolarHBondContact NH1-OD1 3.11Å; C115-D117 PolarHBondContact O-N 2.65Å; C115-D117 PolarHBondContact SG-N 3.01Å; D117-N137 WeakPolarHBondContact O-CA 3.44Å; D117-N137 WeakPolarHBondContact O-CB 3.15Å; D117-N137 PolarHBondContact O-OD1 2.9Å |
| 118 | G | 90.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 82.3 | 13.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | C115 F133 T134 N138 | C115-G118 PolarHBondContact O-N 2.76Å; G118-F133 WeakPolarHBondContact O-CA 3.45Å; G118-T134 PolarHBondContact O-N 3.27Å; G118-T134 PolarHBondContact O-OG1 3.16Å; G118-N138 WeakPolarHBondContact CA-O 3.47Å |
| 119 | E | 94.6 | Very high | 92 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 126.9 | 173 | -175 | -175.4 | -135.8 | 0 | 0 | 110.4 | H94 R95 G114 C115 R121 F133 | H94-E119 WeakPolarHBondContact CA-OE2 3.45Å; H94-E119 VanDerWaalsContact CE1-CB 3.43Å; H94-E119 WeakPolarHBondContact CE1-CB 3.45Å; H94-E119 WeakPolarHBondContact CE1-CG 3.29Å; H94-E119 IonicContact CE1-OE1 3.09Å; H94-E119 CovalentContact CE1-OE2 1.82Å; H94-E119 IonicContact CE1-OE2 3.6Å; H94-E119 PolarHBondContact CE1-OE2 3.15Å; H94-E119 IonicContact CG-OE2 2.71Å; H94-E119 IonicContact ND1-OE2 3.7Å; H94-E119 PolarHBondContact ND1-OE2 2.73Å; H94-E119 PolarHBondContact NE2-O 3.28Å; H94-E119 IonicContact NE2-OE2 2.68Å; R95-E119 PolarHBondContact N-OE2 3.04Å; G114-E119 WeakPolarHBondContact CA-O 3.17Å; C115-E119 PolarHBondContact N-O 2.89Å; E119-R121 IonicContact OE1-CZ 2.89Å; E119-R121 IonicContact OE1-NH1 3.63Å; E119-R121 PolarHBondContact OE1-NH1 3.49Å; E119-R121 IonicContact OE1-NH2 3.62Å; E119-R121 PolarHBondContact OE1-NH2 3.16Å; E119-R121 IonicContact OE2-CZ 3.28Å; E119-R121 IonicContact OE2-NH1 3.77Å; E119-R121 PolarHBondContact OE2-NH1 2.83Å; E119-F133 HydrophobicContact CB-CD1 3.8Å; E119-F133 HydrophobicContact CB-CE1 3.59Å; E119-F133 HydrophobicContact CB-CZ 4.17Å; E119-F133 HydrophobicContact CG-CD1 4.06Å; E119-F133 HydrophobicContact CG-CE1 3.54Å; E119-F133 HydrophobicContact CG-CE2 4.1Å; E119-F133 HydrophobicContact CG-CZ 3.57Å; E119-F133 WeakPolarHBondContact OE1-CZ 3.41Å |
| 120 | V | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.9 | 168.6 | -177 | 0 | 0 | 0 | 0 | 108.7 | S113 S131 W132 I140 L143 L152 I154 W163 | S113-V120 CarbonylContact O-C 3.58Å; S113-V120 WeakPolarHBondContact O-CA 3.33Å; V120-S131 WeakPolarHBondContact O-CA 3.2Å; V120-W132 HydrophobicContact CB-CE3 4.43Å; V120-W132 HydrophobicContact CG2-CE3 4.21Å; V120-W132 HydrophobicContact CG2-CZ3 4.49Å; V120-W132 PolarHBondContact N-O 2.84Å; V120-W132 PolarHBondContact O-N 2.83Å; V120-I140 HydrophobicContact CG2-CD1 3.65Å; V120-I140 HydrophobicContact CG2-CG1 3.73Å; V120-I140 HydrophobicContact CG2-CG2 4.27Å; V120-L143 HydrophobicContact CG1-CD1 4.3Å; V120-L143 HydrophobicContact CG1-CD2 4.26Å; V120-L143 HydrophobicContact CG2-CD2 4.43Å; V120-L152 HydrophobicContact CG1-CD2 3.9Å; V120-I154 HydrophobicContact CG1-CD1 4.45Å; V120-I154 HydrophobicContact CG2-CD1 4.14Å; V120-I154 HydrophobicContact CG2-CG1 4.38Å; V120-I154 HydrophobicContact CG2-CG2 3.75Å; V120-W163 HydrophobicContact CB-CZ3 4.43Å; V120-W163 HydrophobicContact CG1-CE3 4.31Å; V120-W163 HydrophobicContact CG1-CZ3 3.86Å |
| 121 | R | 95.6 | Very high | 92 | Very high | 28 Ų | 28 | 34.9 Ų | 34.9 | 11% | 0.106 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.4 | 168.9 | -85.9 | -169.3 | -178.7 | 73.5 | 15.8 | 111.8 | G93 H94 A112 S113 E119 W123 E130 | G93-R121 VanDerWaalsContact C-NH1 3.33Å; G93-R121 PolarHBondContact O-NH1 3.45Å; G93-R121 PolarHBondContact O-NH2 3.04Å; H94-R121 PolarHBondContact CE1-NH1 2.81Å; H94-R121 PolarHBondContact ND1-NH1 3.4Å; H94-R121 VanDerWaalsContact ND1-NH1 3.16Å; H94-R121 PolarHBondContact NE2-N 2.96Å; H94-R121 VanDerWaalsContact NE2-N 3.11Å; A112-R121 CarbonylContact C-O 3.56Å; A112-R121 VanDerWaalsContact CA-O 3.3Å; A112-R121 WeakPolarHBondContact CA-O 3.47Å; S113-R121 PolarHBondContact N-O 2.91Å; S113-R121 PolarHBondContact O-N 3.44Å; E119-R121 IonicContact OE1-CZ 2.89Å; E119-R121 IonicContact OE1-NH1 3.63Å; E119-R121 PolarHBondContact OE1-NH1 3.49Å; E119-R121 IonicContact OE1-NH2 3.62Å; E119-R121 PolarHBondContact OE1-NH2 3.16Å; E119-R121 IonicContact OE2-CZ 3.28Å; E119-R121 IonicContact OE2-NH1 3.77Å; E119-R121 PolarHBondContact OE2-NH1 2.83Å; R121-W123 HydrophobicContact CB-CD2 4.45Å; R121-W123 HydrophobicContact CB-CZ2 4.15Å; R121-W123 VanDerWaalsContact CD-CH2 3.46Å; R121-W123 HydrophobicContact CG-CZ2 4.35Å; R121-E130 CarbonylContact C-O 3.59Å; R121-E130 VanDerWaalsContact CA-O 3.29Å; R121-E130 WeakPolarHBondContact CA-O 3.11Å |
| 122 | I | 95.9 | Very high | 91.8 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137.4 | 152.9 | -55 | -56 | 0 | 0 | 0 | 107.5 | L110 I111 A112 S129 E130 F145 L152 W163 W165 | L110-I122 HydrophobicContact CD1-CG2 3.47Å; L110-I122 VanDerWaalsContact CD1-CG2 3.47Å; L110-I122 HydrophobicContact CG-CG2 4.24Å; I111-I122 CarbonylContact O-C 3.14Å; I111-I122 WeakPolarHBondContact O-CA 3.49Å; A112-I122 HydrophobicContact CB-CD1 3.74Å; I122-S129 CarbonylContact O-C 3.5Å; I122-S129 WeakPolarHBondContact O-CA 3.48Å; I122-S129 VanDerWaalsContact O-CB 3.27Å; I122-S129 WeakPolarHBondContact O-CB 3.27Å; I122-E130 PolarHBondContact N-O 3.34Å; I122-E130 PolarHBondContact O-N 3.35Å; I122-F145 HydrophobicContact CD1-CE1 4.07Å; I122-F145 HydrophobicContact CD1-CZ 3.99Å; I122-L152 HydrophobicContact CD1-CD2 4.04Å; I122-W163 HydrophobicContact CD1-CE3 4.49Å; I122-W163 HydrophobicContact CD1-CZ3 3.9Å; I122-W163 HydrophobicContact CG1-CE3 4.5Å; I122-W163 HydrophobicContact CG1-CH2 3.76Å; I122-W163 HydrophobicContact CG1-CZ3 3.63Å; I122-W165 HydrophobicContact CG1-CB 3.82Å; I122-W165 HydrophobicContact CG1-CG 4.1Å |
| 123 | W | 95.6 | Very high | 91.7 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 6% | 0.064 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.6 | 171.7 | -45.7 | 83.4 | 0 | 0 | 0 | 108.7 | L91 I92 H94 I111 S113 R121 | L91-W123 HydrophobicContact CB-CD2 3.96Å; L91-W123 HydrophobicContact CB-CE3 3.93Å; L91-W123 HydrophobicContact CB-CH2 3.95Å; L91-W123 HydrophobicContact CB-CZ2 3.96Å; L91-W123 HydrophobicContact CB-CZ3 3.94Å; L91-W123 HydrophobicContact CD1-CB 4.1Å; L91-W123 HydrophobicContact CD1-CD2 3.95Å; L91-W123 HydrophobicContact CD1-CG 3.78Å; L91-W123 HydrophobicContact CD2-CD2 4.38Å; L91-W123 HydrophobicContact CD2-CE3 4.15Å; L91-W123 HydrophobicContact CG-CD2 4.32Å; L91-W123 HydrophobicContact CG-CE3 4.41Å; I92-W123 WeakPolarHBondContact O-CH2 3.5Å; H94-W123 AromaticContact CD2-CZ2 3.98Å; I111-W123 HydrophobicContact CB-CB 4.42Å; I111-W123 PolarHBondContact N-O 3.04Å; I111-W123 PolarHBondContact O-N 3.25Å; S113-W123 PolarHBondContact OG-NE1 2.87Å; R121-W123 HydrophobicContact CB-CD2 4.45Å; R121-W123 HydrophobicContact CB-CZ2 4.15Å; R121-W123 VanDerWaalsContact CD-CH2 3.46Å; R121-W123 HydrophobicContact CG-CZ2 4.35Å |
| 124 | D | 93.6 | Very high | 91.3 | Very high | 62 Ų | 62 | 39.4 Ų | 39.4 | 33% | 0.332 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.9 | 160.6 | -174.2 | -2.2 | 0 | 0 | 0 | 108.5 | H126 G127 G128 | D124-H126 PolarHBondContact O-N 2.91Å; D124-H126 IonicContact OD1-CE1 3.78Å; D124-H126 IonicContact OD1-CG 3.59Å; D124-H126 PolarHBondContact OD1-N 2.95Å; D124-H126 IonicContact OD1-ND1 2.75Å; D124-H126 PolarHBondContact OD1-ND1 2.8Å; D124-H126 IonicContact OD2-ND1 3.9Å; D124-G127 PolarHBondContact O-N 3.13Å; D124-G128 PolarHBondContact N-O 2.96Å; D124-G128 VanDerWaalsContact N-O 3.15Å |
| 125 | L | 92.3 | Very high | 90.8 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.1 | 175.8 | -63.7 | -171.8 | 0 | 0 | 0 | 113.3 | L67 I79 H89 L91 G109 I111 G127 | L67-L125 HydrophobicContact CD1-CD1 3.56Å; I79-L125 HydrophobicContact CG1-CD2 4.06Å; I79-L125 HydrophobicContact CG2-CD1 4.06Å; H89-L125 HydrophobicContact CB-CD2 4.42Å; L91-L125 HydrophobicContact CD1-CD2 4.34Å; L91-L125 HydrophobicContact CD2-CD2 3.92Å; G109-L125 WeakPolarHBondContact O-CG 3.19Å; G109-L125 PolarHBondContact O-N 2.88Å; I111-L125 HydrophobicContact CD1-CD1 4.24Å; I111-L125 HydrophobicContact CD1-CD2 3.94Å; I111-L125 HydrophobicContact CD1-CG 4.13Å; L125-G127 VanDerWaalsContact C-N 3.33Å |
| 126 | H | 88.4 | Confident | 90.3 | Very high | 150 Ų | 150 | 49.8 Ų | 49.8 | 69% | 0.694 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -18 | 173.1 | -49.8 | 94.5 | 0 | 0 | 0 | 112.6 | D124 | D124-H126 PolarHBondContact O-N 2.91Å; D124-H126 IonicContact OD1-CE1 3.78Å; D124-H126 IonicContact OD1-CG 3.59Å; D124-H126 PolarHBondContact OD1-N 2.95Å; D124-H126 IonicContact OD1-ND1 2.75Å; D124-H126 PolarHBondContact OD1-ND1 2.8Å; D124-H126 IonicContact OD2-ND1 3.9Å |
| 127 | G | 82.3 | Confident | 90.1 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 57% | 0.567 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 140.3 | 130.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D124 L125 | D124-G127 PolarHBondContact O-N 3.13Å; L125-G127 VanDerWaalsContact C-N 3.33Å |
| 128 | G | 83.5 | Confident | 90 | Very high | 56 Ų | 56 | 51.4 Ų | 51.4 | 58% | 0.577 | 30% | 0.298 | S | S | * | . | trans | 109.6 | 161.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | D124 | D124-G128 PolarHBondContact N-O 2.96Å; D124-G128 VanDerWaalsContact N-O 3.15Å | ||
| 129 | S | 89 | Confident | 90 | Very high | 59 Ų | 59 | 53.6 Ų | 53.6 | 41% | 0.413 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 129.9 | 174.4 | 63.3 | 0 | 0 | 0 | 0 | 110.6 | I122 | I122-S129 CarbonylContact O-C 3.5Å; I122-S129 WeakPolarHBondContact O-CA 3.48Å; I122-S129 VanDerWaalsContact O-CB 3.27Å; I122-S129 WeakPolarHBondContact O-CB 3.27Å |
| 130 | E | 90.2 | Very high | 89.9 | Confident | 117 Ų | 117 | 53.6 Ų | 53.6 | 55% | 0.547 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 146.7 | 171.1 | -73.9 | -60.2 | 155 | 0 | 0 | 110.2 | R121 I122 | R121-E130 CarbonylContact C-O 3.59Å; R121-E130 VanDerWaalsContact CA-O 3.29Å; R121-E130 WeakPolarHBondContact CA-O 3.11Å; I122-E130 PolarHBondContact N-O 3.34Å; I122-E130 PolarHBondContact O-N 3.35Å |
| 131 | S | 91.8 | Very high | 89.7 | Confident | 53 Ų | 53 | 54.1 Ų | 54.1 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 128.6 | -176.2 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | V120 | V120-S131 WeakPolarHBondContact O-CA 3.2Å |
| 132 | W | 93.3 | Very high | 89.7 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 9% | 0.087 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 154.1 | 169.3 | 175.4 | 72.1 | 0 | 0 | 0 | 110.6 | V120 T134 I154 H161 W163 R168 P170 | V120-W132 HydrophobicContact CB-CE3 4.43Å; V120-W132 HydrophobicContact CG2-CE3 4.21Å; V120-W132 HydrophobicContact CG2-CZ3 4.49Å; V120-W132 PolarHBondContact N-O 2.84Å; V120-W132 PolarHBondContact O-N 2.83Å; W132-T134 HydrophobicContact CH2-CG2 3.63Å; W132-T134 HydrophobicContact CZ3-CG2 3.69Å; W132-I154 HydrophobicContact CE3-CD1 3.7Å; W132-I154 HydrophobicContact CZ3-CD1 3.69Å; W132-I154 HydrophobicContact CZ3-CG2 4.29Å; W132-H161 HydrophobicContact CH2-CB 4.35Å; W132-H161 AromaticContact CH2-CG 3.84Å; W132-H161 AromaticContact CH2-ND1 3.68Å; W132-W163 HydrophobicContact CB-CH2 3.97Å; W132-W163 HydrophobicContact CB-CZ2 3.87Å; W132-W163 HydrophobicContact CB-CZ3 4.36Å; W132-R168 VanDerWaalsContact CD1-O 3.31Å; W132-P170 HydrophobicContact CD2-CG 3.92Å; W132-P170 HydrophobicContact CE3-CG 4.16Å; W132-P170 HydrophobicContact CH2-CG 3.83Å; W132-P170 HydrophobicContact CZ2-CG 3.6Å; W132-P170 HydrophobicContact CZ3-CG 4.12Å; W132-P170 VanDerWaalsContact NE1-CD 3.29Å |
| 133 | F | 93 | Very high | 89.7 | Confident | 70 Ų | 70 | 52.8 Ų | 52.8 | 31% | 0.307 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 135.4 | 178.5 | -70.9 | -100.9 | 0 | 0 | 0 | 109.9 | G118 E119 | G118-F133 WeakPolarHBondContact O-CA 3.45Å; E119-F133 HydrophobicContact CB-CD1 3.8Å; E119-F133 HydrophobicContact CB-CE1 3.59Å; E119-F133 HydrophobicContact CB-CZ 4.17Å; E119-F133 HydrophobicContact CG-CD1 4.06Å; E119-F133 HydrophobicContact CG-CE1 3.54Å; E119-F133 HydrophobicContact CG-CE2 4.1Å; E119-F133 HydrophobicContact CG-CZ 3.57Å; E119-F133 WeakPolarHBondContact OE1-CZ 3.41Å |
| 134 | T | 89.1 | Confident | 89.8 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | trans | -65.2 | 135 | 168.4 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | G118 W132 S136 N137 N138 I140 T156 | G118-T134 PolarHBondContact O-N 3.27Å; G118-T134 PolarHBondContact O-OG1 3.16Å; W132-T134 HydrophobicContact CH2-CG2 3.63Å; W132-T134 HydrophobicContact CZ3-CG2 3.69Å; T134-S136 PolarHBondContact O-N 2.85Å; T134-N137 PolarHBondContact O-N 3.12Å; T134-N137 VanDerWaalsContact OG1-CA 3.29Å; T134-N137 WeakPolarHBondContact OG1-CA 3.23Å; T134-N137 PolarHBondContact OG1-N 2.89Å; T134-N138 PolarHBondContact OG1-N 2.79Å; T134-I140 HydrophobicContact CG2-CD1 3.73Å; T134-T156 HydrophobicContact CG2-CG2 3.61Å | ||
| 135 | D | 82.8 | Confident | 89.9 | Confident | 151 Ų | 151 | 49.9 Ų | 49.9 | 81% | 0.807 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.2 | 179.7 | -51.1 | -72.4 | 0 | 0 | 0 | 114.1 | ||
| 136 | S | 81.9 | Confident | 90 | Very high | 67 Ų | 67 | 49 Ų | 49 | 47% | 0.469 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -3.5 | -177.9 | 40.7 | 0 | 0 | 0 | 0 | 114.4 | T134 N138 | T134-S136 PolarHBondContact O-N 2.85Å; S136-N138 PolarHBondContact O-N 2.92Å; S136-N138 PolarHBondContact OG-ND2 2.93Å |
| 137 | N | 84.4 | Confident | 90.1 | Very high | 102 Ų | 102 | 42.3 Ų | 42.3 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | trans | 49.2 | 35.3 | -166 | -61.7 | -47 | 0 | 0 | 0 | 113.1 | D117 T134 A139 | D117-N137 WeakPolarHBondContact O-CA 3.44Å; D117-N137 WeakPolarHBondContact O-CB 3.15Å; D117-N137 PolarHBondContact O-OD1 2.9Å; T134-N137 PolarHBondContact O-N 3.12Å; T134-N137 VanDerWaalsContact OG1-CA 3.29Å; T134-N137 WeakPolarHBondContact OG1-CA 3.23Å; T134-N137 PolarHBondContact OG1-N 2.89Å; N137-A139 PolarHBondContact O-N 3.13Å | ||
| 138 | N | 87.1 | Confident | 90.4 | Very high | 35 Ų | 35 | 45 Ų | 45 | 19% | 0.187 | 27% | 0.272 | C | S | . | . | trans | -72.7 | 123.4 | 179.3 | -91.8 | -26 | 0 | 0 | 0 | 109.9 | G118 T134 S136 I140 | G118-N138 WeakPolarHBondContact CA-O 3.47Å; T134-N138 PolarHBondContact OG1-N 2.79Å; S136-N138 PolarHBondContact O-N 2.92Å; S136-N138 PolarHBondContact OG-ND2 2.93Å; N138-I140 PolarHBondContact O-N 2.78Å | ||
| 139 | A | 89.5 | Confident | 90.7 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 37% | 0.372 | 25% | 0.251 | S | S | . | . | trans | -49.6 | 129.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L116 N137 A141 | L116-A139 HydrophobicContact CD2-CB 4.15Å; L116-A139 WeakPolarHBondContact O-CB 3.24Å; N137-A139 PolarHBondContact O-N 3.13Å; A139-A141 PolarHBondContact O-N 3.31Å | ||
| 140 | I | 93.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | trans | -73.9 | 113.9 | -179.4 | -47.4 | -59 | 0 | 0 | 0 | 109.2 | C115 V120 T134 N138 L143 I154 T156 | C115-I140 PolarHBondContact O-N 2.75Å; V120-I140 HydrophobicContact CG2-CD1 3.65Å; V120-I140 HydrophobicContact CG2-CG1 3.73Å; V120-I140 HydrophobicContact CG2-CG2 4.27Å; T134-I140 HydrophobicContact CG2-CD1 3.73Å; N138-I140 PolarHBondContact O-N 2.78Å; I140-L143 HydrophobicContact CG2-CD2 3.95Å; I140-L143 HydrophobicContact CG2-CG 4.1Å; I140-I154 HydrophobicContact CD1-CG2 3.94Å; I140-I154 HydrophobicContact CG2-CG2 3.86Å; I140-T156 HydrophobicContact CD1-CG2 4.02Å | ||
| 141 | A | 91.5 | Very high | 90.9 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | trans | -75.8 | -41.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A139 A155 T156 V183 R184 | A139-A141 PolarHBondContact O-N 3.31Å; A141-A155 HydrophobicContact CB-CB 4.29Å; A141-A155 PolarHBondContact N-O 2.95Å; A141-T156 WeakPolarHBondContact CB-O 3.44Å; A141-V183 WeakPolarHBondContact CB-O 3.37Å; A141-R184 PolarHBondContact O-NH1 3.04Å | ||
| 142 | S | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 157.7 | -172.2 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | A155 V186 D773 | S142-A155 PolarHBondContact O-N 3.34Å; S142-A155 VanDerWaalsContact O-N 3.07Å; S142-V186 PolarHBondContact OG-N 2.92Å; S142-V186 VanDerWaalsContact OG-N 3.09Å; S142-V186 PolarHBondContact OG-O 3.1Å; S142-D773 WeakPolarHBondContact CA-OD2 3.31Å; S142-D773 WeakPolarHBondContact CB-OD2 3.28Å; S142-D773 PolarHBondContact OG-OD2 2.76Å |
| 143 | L | 97 | Very high | 91.3 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 140.5 | -178.5 | -72.8 | 178.3 | 0 | 0 | 0 | 112 | T102 A112 G114 V120 I140 L152 L153 I154 | T102-L143 HydrophobicContact CG2-CB 4.07Å; A112-L143 HydrophobicContact CB-CD1 4.1Å; G114-L143 VanDerWaalsContact N-CD1 3.35Å; V120-L143 HydrophobicContact CG1-CD1 4.3Å; V120-L143 HydrophobicContact CG1-CD2 4.26Å; V120-L143 HydrophobicContact CG2-CD2 4.43Å; I140-L143 HydrophobicContact CG2-CD2 3.95Å; I140-L143 HydrophobicContact CG2-CG 4.1Å; L143-L152 HydrophobicContact CD2-CD2 3.94Å; L143-L152 HydrophobicContact CD2-CG 4.34Å; L143-L153 WeakPolarHBondContact CA-O 3.43Å; L143-I154 HydrophobicContact CD2-CB 4.01Å; L143-I154 HydrophobicContact CD2-CG1 3.78Å; L143-I154 HydrophobicContact CD2-CG2 3.89Å |
| 144 | A | 96.6 | Very high | 91.5 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 123.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L153 V186 F188 | A144-L153 PolarHBondContact N-O 3.11Å; A144-L153 VanDerWaalsContact N-O 3.09Å; A144-L153 PolarHBondContact O-N 2.96Å; A144-V186 HydrophobicContact CB-CB 4.49Å; A144-V186 HydrophobicContact CB-CG2 4.17Å; A144-F188 HydrophobicContact CB-CD2 4.02Å; A144-F188 HydrophobicContact CB-CE2 4.38Å |
| 145 | F | 96.1 | Very high | 91.8 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 4% | 0.044 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 140.1 | 167.3 | -74.6 | -69.3 | 0 | 0 | 0 | 110.9 | T102 F103 H104 L110 A112 I122 L151 L152 W165 F188 | T102-F145 HydrophobicContact CG2-CD2 3.82Å; T102-F145 HydrophobicContact CG2-CE2 4.15Å; F103-F145 WeakPolarHBondContact O-CD2 3.48Å; H104-F145 HydrophobicContact CB-CD2 4.16Å; H104-F145 HydrophobicContact CB-CE2 4.13Å; H104-F145 HydrophobicContact CB-CZ 4.46Å; H104-F145 AromaticContact CD2-CD1 3.5Å; H104-F145 AromaticContact CD2-CE1 3.82Å; H104-F145 AromaticContact CD2-CG 3.65Å; L110-F145 HydrophobicContact CD2-CZ 4.44Å; L110-F145 HydrophobicContact CG-CZ 4.34Å; A112-F145 HydrophobicContact CB-CD2 4.36Å; A112-F145 HydrophobicContact CB-CE1 4.24Å; A112-F145 HydrophobicContact CB-CE2 3.54Å; A112-F145 HydrophobicContact CB-CZ 3.49Å; A112-F145 VanDerWaalsContact CB-CZ 3.49Å; I122-F145 HydrophobicContact CD1-CE1 4.07Å; I122-F145 HydrophobicContact CD1-CZ 3.99Å; F145-L151 WeakPolarHBondContact CA-O 3.34Å; F145-L152 HydrophobicContact CD1-CB 4.18Å; F145-L152 HydrophobicContact CD1-CD1 3.58Å; F145-L152 HydrophobicContact CD1-CG 4.49Å; F145-L152 HydrophobicContact CD2-CD1 4.16Å; F145-L152 HydrophobicContact CE1-CB 4.35Å; F145-L152 HydrophobicContact CE1-CD1 3.82Å; F145-L152 HydrophobicContact CE2-CD1 4.37Å; F145-L152 HydrophobicContact CG-CD1 3.8Å; F145-L152 HydrophobicContact CZ-CD1 4.23Å; F145-W165 HydrophobicContact CD1-CE3 4.46Å; F145-W165 AromaticContact CD1-CH2 3.85Å; F145-W165 HydrophobicContact CD1-CH2 3.85Å; F145-W165 AromaticContact CD1-CZ3 3.62Å; F145-W165 HydrophobicContact CD1-CZ3 3.62Å; F145-W165 HydrophobicContact CE1-CE3 4.01Å; F145-W165 AromaticContact CE1-CH2 3.73Å; F145-W165 HydrophobicContact CE1-CH2 3.73Å; F145-W165 HydrophobicContact CE1-CZ2 4.37Å; F145-W165 AromaticContact CE1-CZ3 3.52Å; F145-W165 HydrophobicContact CE1-CZ3 3.52Å; F145-F188 VanDerWaalsContact O-CD2 3.25Å; F145-F188 WeakPolarHBondContact O-CD2 3.32Å |
| 146 | H | 94.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 2% | 0.023 | 14% | 0.14 | C | C | . | . | trans | -73.7 | 138.6 | 163.3 | -170.2 | -103.9 | 0 | 0 | 0 | 109.7 | T148 A149 L151 F188 G192 F751 | H146-T148 PolarHBondContact CE1-OG1 2.84Å; H146-A149 VanDerWaalsContact ND1-CB 3.33Å; H146-A149 WeakPolarHBondContact ND1-CB 3.45Å; H146-A149 PolarHBondContact ND1-N 3.31Å; H146-L151 HydrophobicContact CB-CB 4.04Å; H146-L151 HydrophobicContact CB-CD2 4.45Å; H146-L151 HydrophobicContact CB-CG 4.48Å; H146-L151 PolarHBondContact N-O 2.58Å; H146-F188 HydrophobicContact CB-CD2 4.39Å; H146-F188 HydrophobicContact CB-CE2 3.89Å; H146-F188 HydrophobicContact CB-CZ 4.07Å; H146-F188 AromaticContact CD2-CD1 3.95Å; H146-F188 AromaticContact CD2-CE1 3.69Å; H146-F188 AromaticContact CD2-CZ 3.86Å; H146-G192 WeakPolarHBondContact NE2-CA 3.32Å; H146-G192 PolarHBondContact NE2-O 2.83Å; H146-F751 AromaticContact CE1-CE1 3.6Å; H146-F751 AromaticContact CE1-CZ 3.87Å; H146-F751 AromaticContact NE2-CE1 3.93Å | ||
| 147 | P | 90.1 | Very high | 92.4 | Very high | 10 Ų | 10 | 20.2 Ų | 20.2 | 7% | 0.065 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -76.8 | -24.3 | -169.9 | 25.6 | -32.7 | 0 | 0 | 0 | 116.1 | P105 T106 G192 | P105-P147 HydrophobicContact CB-CB 4.39Å; P105-P147 VanDerWaalsContact CG-CA 3.47Å; P105-P147 HydrophobicContact CG-CB 3.54Å; T106-P147 WeakPolarHBondContact CG2-O 3.44Å; T106-P147 PolarHBondContact OG1-O 3.02Å; P147-G192 VanDerWaalsContact CD-CA 3.45Å; P147-G192 VanDerWaalsContact CG-N 3.27Å |
| 148 | T | 88.1 | Confident | 92.7 | Very high | 112 Ų | 112 | 16.3 Ų | 16.3 | 69% | 0.687 | 10% | 0.103 | S | C | * | . | S | Bend | trans | -118 | -4.2 | -174.4 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | H146 | H146-T148 PolarHBondContact CE1-OG1 2.84Š|
| 149 | A | 89.4 | Confident | 93.1 | Very high | 16 Ų | 16 | 15.8 Ų | 15.8 | 13% | 0.132 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -135.5 | 151.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | H146 L151 F417 F751 | H146-A149 VanDerWaalsContact ND1-CB 3.33Å; H146-A149 WeakPolarHBondContact ND1-CB 3.45Å; H146-A149 PolarHBondContact ND1-N 3.31Å; A149-L151 PolarHBondContact O-N 3.15Å; A149-F417 HydrophobicContact CB-CD1 4.35Å; A149-F417 HydrophobicContact CB-CE1 3.84Å; A149-F751 HydrophobicContact CB-CE1 4.24Å |
| 150 | Q | 91 | Very high | 93.4 | Very high | 42 Ų | 42 | 13.7 Ų | 13.7 | 20% | 0.196 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -73.3 | 71.6 | -178.4 | -169.7 | 166.3 | 1 | 0 | 0 | 111.6 | D164 W165 Y420 | Q150-D164 PolarHBondContact NE2-OD1 3.21Å; Q150-W165 HydrophobicContact CB-CH2 4.39Å; Q150-W165 HydrophobicContact CG-CD2 3.98Å; Q150-W165 HydrophobicContact CG-CE3 4.12Å; Q150-W165 HydrophobicContact CG-CH2 3.84Å; Q150-W165 HydrophobicContact CG-CZ2 3.68Å; Q150-W165 HydrophobicContact CG-CZ3 4.05Å; Q150-Y420 HydrophobicContact CB-CE2 4.48Å |
| 151 | L | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -142.2 | 122.9 | -175.2 | 175.1 | 61.5 | 0 | 0 | 0 | 111.5 | F145 H146 A149 L153 F162 F171 F748 | F145-L151 WeakPolarHBondContact CA-O 3.34Å; H146-L151 HydrophobicContact CB-CB 4.04Å; H146-L151 HydrophobicContact CB-CD2 4.45Å; H146-L151 HydrophobicContact CB-CG 4.48Å; H146-L151 PolarHBondContact N-O 2.58Å; A149-L151 PolarHBondContact O-N 3.15Å; L151-L153 HydrophobicContact CD1-CD2 4.25Å; L151-L153 HydrophobicContact CD2-CD2 4.31Å; L151-L153 HydrophobicContact CG-CD2 4.32Å; L151-F162 HydrophobicContact CD1-CB 3.9Å; L151-F162 HydrophobicContact CD1-CD1 4Å; L151-F162 HydrophobicContact CD1-CG 4.37Å; L151-F162 HydrophobicContact CD2-CD1 4.15Å; L151-F171 HydrophobicContact CD1-CE1 4.1Å; L151-F171 HydrophobicContact CD1-CZ 3.98Å; L151-F748 HydrophobicContact CD2-CE1 3.85Å; L151-F748 HydrophobicContact CD2-CZ 3.9Å | ||
| 152 | L | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.8 | 163.9 | -173.3 | 76.5 | 0 | 0 | 0 | 109.6 | A112 V120 I122 L143 F145 I154 W163 W165 | A112-L152 HydrophobicContact CB-CD1 3.62Å; A112-L152 HydrophobicContact CB-CD2 3.88Å; A112-L152 HydrophobicContact CB-CG 4.43Å; V120-L152 HydrophobicContact CG1-CD2 3.9Å; I122-L152 HydrophobicContact CD1-CD2 4.04Å; L143-L152 HydrophobicContact CD2-CD2 3.94Å; L143-L152 HydrophobicContact CD2-CG 4.34Å; F145-L152 HydrophobicContact CD1-CB 4.18Å; F145-L152 HydrophobicContact CD1-CD1 3.58Å; F145-L152 HydrophobicContact CD1-CG 4.49Å; F145-L152 HydrophobicContact CD2-CD1 4.16Å; F145-L152 HydrophobicContact CE1-CB 4.35Å; F145-L152 HydrophobicContact CE1-CD1 3.82Å; F145-L152 HydrophobicContact CE2-CD1 4.37Å; F145-L152 HydrophobicContact CG-CD1 3.8Å; F145-L152 HydrophobicContact CZ-CD1 4.23Å; L152-I154 HydrophobicContact CD2-CD1 4.38Å; L152-I154 HydrophobicContact CD2-CG1 3.91Å; L152-I154 HydrophobicContact CG-CG1 4.24Å; L152-W163 HydrophobicContact CD2-CE3 3.89Å; L152-W163 HydrophobicContact CD2-CZ3 4.32Å; L152-W163 PolarHBondContact N-O 3.48Å; L152-W163 PolarHBondContact O-N 3.49Å; L152-W165 HydrophobicContact CB-CE3 4.42Å; L152-W165 HydrophobicContact CB-CZ3 4.49Å |
| 153 | L | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 133.1 | 165.4 | -60.7 | -174.2 | 0 | 0 | 0 | 110.6 | L143 A144 L151 I160 H161 F162 V186 F188 L195 | L143-L153 WeakPolarHBondContact CA-O 3.43Å; A144-L153 PolarHBondContact N-O 3.11Å; A144-L153 VanDerWaalsContact N-O 3.09Å; A144-L153 PolarHBondContact O-N 2.96Å; L151-L153 HydrophobicContact CD1-CD2 4.25Å; L151-L153 HydrophobicContact CD2-CD2 4.31Å; L151-L153 HydrophobicContact CG-CD2 4.32Å; L153-I160 HydrophobicContact CB-CG2 4.29Å; L153-I160 HydrophobicContact CD2-CG2 4.36Å; L153-H161 WeakPolarHBondContact CA-O 3.4Å; L153-F162 HydrophobicContact CD2-CD1 3.42Å; L153-F162 VanDerWaalsContact CD2-CD1 3.42Å; L153-F162 HydrophobicContact CD2-CD2 4.04Å; L153-F162 HydrophobicContact CD2-CE1 3.41Å; L153-F162 VanDerWaalsContact CD2-CE1 3.41Å; L153-F162 HydrophobicContact CD2-CE2 4Å; L153-F162 HydrophobicContact CD2-CG 3.73Å; L153-F162 HydrophobicContact CD2-CZ 3.69Å; L153-V186 HydrophobicContact CB-CG2 4.27Å; L153-F188 HydrophobicContact CD1-CE1 4.18Å; L153-F188 HydrophobicContact CD1-CE2 3.62Å; L153-F188 HydrophobicContact CD1-CZ 3.39Å; L153-F188 HydrophobicContact CG-CE2 3.76Å; L153-F188 HydrophobicContact CG-CZ 3.77Å; L153-L195 HydrophobicContact CD1-CD1 3.44Å; L153-L195 VanDerWaalsContact CD1-CD1 3.44Å; L153-L195 HydrophobicContact CD1-CD2 3.59Å; L153-L195 HydrophobicContact CD1-CG 4.15Å |
| 154 | I | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 109.7 | -178.5 | -50.4 | 163.9 | 0 | 0 | 0 | 109.4 | V120 W132 I140 L143 L152 T156 I160 H161 W163 | V120-I154 HydrophobicContact CG1-CD1 4.45Å; V120-I154 HydrophobicContact CG2-CD1 4.14Å; V120-I154 HydrophobicContact CG2-CG1 4.38Å; V120-I154 HydrophobicContact CG2-CG2 3.75Å; W132-I154 HydrophobicContact CE3-CD1 3.7Å; W132-I154 HydrophobicContact CZ3-CD1 3.69Å; W132-I154 HydrophobicContact CZ3-CG2 4.29Å; I140-I154 HydrophobicContact CD1-CG2 3.94Å; I140-I154 HydrophobicContact CG2-CG2 3.86Å; L143-I154 HydrophobicContact CD2-CB 4.01Å; L143-I154 HydrophobicContact CD2-CG1 3.78Å; L143-I154 HydrophobicContact CD2-CG2 3.89Å; L152-I154 HydrophobicContact CD2-CD1 4.38Å; L152-I154 HydrophobicContact CD2-CG1 3.91Å; L152-I154 HydrophobicContact CG-CG1 4.24Å; I154-T156 HydrophobicContact CG2-CG2 4.1Å; I154-I160 WeakPolarHBondContact O-CA 3.42Å; I154-H161 HydrophobicContact CB-CB 4.19Å; I154-H161 HydrophobicContact CD1-CB 4.41Å; I154-H161 PolarHBondContact N-O 2.8Å; I154-H161 PolarHBondContact O-N 3.39Å; I154-W163 HydrophobicContact CD1-CB 3.9Å; I154-W163 HydrophobicContact CD1-CD2 4.44Å; I154-W163 HydrophobicContact CD1-CE3 4Å; I154-W163 HydrophobicContact CD1-CG 4.45Å |
| 155 | A | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 125.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | A141 S142 V183 V186 | A141-A155 HydrophobicContact CB-CB 4.29Å; A141-A155 PolarHBondContact N-O 2.95Å; S142-A155 PolarHBondContact O-N 3.34Å; S142-A155 VanDerWaalsContact O-N 3.07Å; A155-V183 HydrophobicContact CB-CB 4.32Å; A155-V183 HydrophobicContact CB-CG1 3.84Å; A155-V186 HydrophobicContact CB-CG1 3.99Å; A155-V186 HydrophobicContact CB-CG2 3.99Å |
| 156 | T | 90.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 3% | 0.025 | 11% | 0.11 | C | C | . | . | trans | -110.6 | -115.1 | 179.6 | 65.8 | 0 | 0 | 0 | 0 | 110.8 | T134 I140 A141 I154 E159 H161 | T134-T156 HydrophobicContact CG2-CG2 3.61Å; I140-T156 HydrophobicContact CD1-CG2 4.02Å; A141-T156 WeakPolarHBondContact CB-O 3.44Å; I154-T156 HydrophobicContact CG2-CG2 4.1Å; T156-E159 PolarHBondContact N-O 3.41Å; T156-E159 PolarHBondContact OG1-O 3.47Å; T156-H161 PolarHBondContact OG1-NE2 3.25Å | ||
| 157 | A | 87.4 | Confident | 92.6 | Very high | 15 Ų | 15 | 23.7 Ų | 23.7 | 12% | 0.124 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -87.4 | -83.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | R182 V183 | A157-R182 CarbonylContact O-C 3.6Å; A157-R182 WeakPolarHBondContact O-CA 3.45Å; A157-R182 VanDerWaalsContact O-CB 3.22Å; A157-R182 WeakPolarHBondContact O-CB 3.21Å; A157-V183 PolarHBondContact O-N 2.93Å |
| 158 | N | 91.6 | Very high | 92.4 | Very high | 20 Ų | 20 | 34 Ų | 34 | 11% | 0.107 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -106.1 | 13.5 | -178.4 | 60.4 | -62.6 | 0 | 0 | 0 | 112.9 | K175 T176 | N158-K175 WeakPolarHBondContact O-CA 3.4Å; N158-T176 PolarHBondContact O-N 3.01Å; N158-T176 PolarHBondContact O-OG1 2.85Å |
| 159 | E | 93.8 | Very high | 92.4 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 12% | 0.117 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.8 | -167.7 | -44.7 | -167.5 | 176.2 | 0 | 0 | 111.8 | T156 H161 V173 V174 K175 | T156-E159 PolarHBondContact N-O 3.41Å; T156-E159 PolarHBondContact OG1-O 3.47Å; E159-H161 WeakPolarHBondContact CB-NE2 3.25Å; E159-H161 IonicContact OE2-CE1 3.2Å; E159-H161 PolarHBondContact OE2-CE1 2.84Å; E159-H161 IonicContact OE2-NE2 3.85Å; E159-H161 PolarHBondContact OE2-NE2 2.89Å; E159-V173 HydrophobicContact CB-CG1 4.07Å; E159-V174 CarbonylContact C-O 3.55Å; E159-V174 WeakPolarHBondContact CA-O 3.33Å; E159-K175 HydrophobicContact CB-CG 4.4Å; E159-K175 HydrophobicContact CG-CB 4.45Å; E159-K175 HydrophobicContact CG-CD 4.06Å; E159-K175 HydrophobicContact CG-CG 3.91Å; E159-K175 WeakPolarHBondContact OE1-CD 3.31Å; E159-K175 VanDerWaalsContact OE1-CE 3.24Å; E159-K175 WeakPolarHBondContact OE1-CE 3.24Å; E159-K175 IonicContact OE1-NZ 3.09Å; E159-K175 PolarHBondContact OE1-NZ 3.46Å; E159-K175 VanDerWaalsContact OE2-CE 3.27Å; E159-K175 WeakPolarHBondContact OE2-CE 3.48Å; E159-K175 IonicContact OE2-NZ 3.38Å; E159-K175 PolarHBondContact OE2-NZ 3.13Å; E159-K175 VanDerWaalsContact OE2-NZ 3.09Å |
| 160 | I | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117.1 | 169.5 | -55 | 179.3 | 0 | 0 | 0 | 107.6 | L153 I154 F162 V173 V174 V183 V186 T197 I756 | L153-I160 HydrophobicContact CB-CG2 4.29Å; L153-I160 HydrophobicContact CD2-CG2 4.36Å; I154-I160 WeakPolarHBondContact O-CA 3.42Å; I160-F162 HydrophobicContact CB-CE2 4.39Å; I160-F162 HydrophobicContact CG2-CD2 4.4Å; I160-F162 HydrophobicContact CG2-CE2 3.89Å; I160-V173 WeakPolarHBondContact O-CA 3.02Å; I160-V174 PolarHBondContact N-O 3.1Å; I160-V174 PolarHBondContact O-N 2.95Å; I160-V183 HydrophobicContact CD1-CG1 4.09Å; I160-V183 HydrophobicContact CD1-CG2 4.4Å; I160-V183 HydrophobicContact CG1-CB 4.5Å; I160-V183 HydrophobicContact CG1-CG1 4.08Å; I160-V183 HydrophobicContact CG1-CG2 4.05Å; I160-V186 HydrophobicContact CD1-CG1 3.83Å; I160-V186 HydrophobicContact CG1-CG1 4.28Å; I160-V186 HydrophobicContact CG2-CG1 4.39Å; I160-T197 HydrophobicContact CD1-CG2 3.8Å; I160-I756 HydrophobicContact CB-CD1 4.47Å; I160-I756 HydrophobicContact CD1-CD1 3.75Å; I160-I756 HydrophobicContact CD1-CG2 4.22Å; I160-I756 HydrophobicContact CG1-CD1 3.84Å |
| 161 | H | 95.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 36 Ų | 36 | 7% | 0.065 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 139.6 | 177.7 | -54.1 | -105.8 | 0 | 0 | 0 | 109.6 | W132 L153 I154 T156 E159 P170 V173 | W132-H161 HydrophobicContact CH2-CB 4.35Å; W132-H161 AromaticContact CH2-CG 3.84Å; W132-H161 AromaticContact CH2-ND1 3.68Å; L153-H161 WeakPolarHBondContact CA-O 3.4Å; I154-H161 HydrophobicContact CB-CB 4.19Å; I154-H161 HydrophobicContact CD1-CB 4.41Å; I154-H161 PolarHBondContact N-O 2.8Å; I154-H161 PolarHBondContact O-N 3.39Å; T156-H161 PolarHBondContact OG1-NE2 3.25Å; E159-H161 WeakPolarHBondContact CB-NE2 3.25Å; E159-H161 IonicContact OE2-CE1 3.2Å; E159-H161 PolarHBondContact OE2-CE1 2.84Å; E159-H161 IonicContact OE2-NE2 3.85Å; E159-H161 PolarHBondContact OE2-NE2 2.89Å; H161-P170 HydrophobicContact CB-CB 3.87Å; H161-P170 HydrophobicContact CB-CG 3.85Å; H161-V173 HydrophobicContact CB-CG2 4.5Å; H161-V173 VanDerWaalsContact ND1-CG2 3.35Å; H161-V173 WeakPolarHBondContact ND1-CG2 3.46Å |
| 162 | F | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 106.9 | -179.1 | -72.5 | -115.6 | 0 | 0 | 0 | 108 | L151 L153 I160 P170 F171 A172 V174 L413 F748 L753 P754 | L151-F162 HydrophobicContact CD1-CB 3.9Å; L151-F162 HydrophobicContact CD1-CD1 4Å; L151-F162 HydrophobicContact CD1-CG 4.37Å; L151-F162 HydrophobicContact CD2-CD1 4.15Å; L153-F162 HydrophobicContact CD2-CD1 3.42Å; L153-F162 VanDerWaalsContact CD2-CD1 3.42Å; L153-F162 HydrophobicContact CD2-CD2 4.04Å; L153-F162 HydrophobicContact CD2-CE1 3.41Å; L153-F162 VanDerWaalsContact CD2-CE1 3.41Å; L153-F162 HydrophobicContact CD2-CE2 4Å; L153-F162 HydrophobicContact CD2-CG 3.73Å; L153-F162 HydrophobicContact CD2-CZ 3.69Å; I160-F162 HydrophobicContact CB-CE2 4.39Å; I160-F162 HydrophobicContact CG2-CD2 4.4Å; I160-F162 HydrophobicContact CG2-CE2 3.89Å; F162-P170 CarbonylContact O-C 3.58Å; F162-P170 VanDerWaalsContact O-CA 3.3Å; F162-P170 WeakPolarHBondContact O-CA 3.34Å; F162-P170 WeakPolarHBondContact O-CB 3.12Å; F162-F171 HydrophobicContact CB-CE1 4.39Å; F162-F171 HydrophobicContact CB-CE2 4.07Å; F162-F171 HydrophobicContact CB-CZ 3.93Å; F162-F171 WeakPolarHBondContact O-CD1 3.16Å; F162-F171 PolarHBondContact O-N 3.13Å; F162-A172 HydrophobicContact CB-CB 4.13Å; F162-A172 PolarHBondContact N-O 2.92Å; F162-V174 HydrophobicContact CD2-CG2 4.29Å; F162-V174 HydrophobicContact CE2-CB 4.34Å; F162-V174 HydrophobicContact CE2-CG2 3.59Å; F162-V174 HydrophobicContact CZ-CG2 4.25Å; F162-L413 HydrophobicContact CD1-CD1 4.34Å; F162-F748 AromaticContact CE1-CE2 3.96Å; F162-F748 HydrophobicContact CE1-CE2 3.96Å; F162-F748 AromaticContact CE1-CZ 3.92Å; F162-F748 HydrophobicContact CE1-CZ 3.92Å; F162-L753 HydrophobicContact CD1-CD2 4.03Å; F162-L753 HydrophobicContact CD2-CD2 4.26Å; F162-L753 HydrophobicContact CE1-CD2 3.76Å; F162-L753 HydrophobicContact CE2-CD2 4.03Å; F162-L753 HydrophobicContact CG-CD2 4.3Å; F162-L753 HydrophobicContact CZ-CD2 3.79Å; F162-P754 HydrophobicContact CZ-CG 4.19Å |
| 163 | W | 95.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.011 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117.4 | -172.3 | -172.1 | 32.4 | 0 | 0 | 0 | 112.3 | V120 I122 W132 L152 I154 W165 R167 P170 | V120-W163 HydrophobicContact CB-CZ3 4.43Å; V120-W163 HydrophobicContact CG1-CE3 4.31Å; V120-W163 HydrophobicContact CG1-CZ3 3.86Å; I122-W163 HydrophobicContact CD1-CE3 4.49Å; I122-W163 HydrophobicContact CD1-CZ3 3.9Å; I122-W163 HydrophobicContact CG1-CE3 4.5Å; I122-W163 HydrophobicContact CG1-CH2 3.76Å; I122-W163 HydrophobicContact CG1-CZ3 3.63Å; W132-W163 HydrophobicContact CB-CH2 3.97Å; W132-W163 HydrophobicContact CB-CZ2 3.87Å; W132-W163 HydrophobicContact CB-CZ3 4.36Å; L152-W163 HydrophobicContact CD2-CE3 3.89Å; L152-W163 HydrophobicContact CD2-CZ3 4.32Å; L152-W163 PolarHBondContact N-O 3.48Å; L152-W163 PolarHBondContact O-N 3.49Å; I154-W163 HydrophobicContact CD1-CB 3.9Å; I154-W163 HydrophobicContact CD1-CD2 4.44Å; I154-W163 HydrophobicContact CD1-CE3 4Å; I154-W163 HydrophobicContact CD1-CG 4.45Å; W163-W165 HydrophobicContact CD2-CB 4.41Å; W163-W165 HydrophobicContact CH2-CB 4.31Å; W163-W165 HydrophobicContact CZ2-CB 4.04Å; W163-R167 PolarHBondContact NE1-O 2.84Å; W163-P170 HydrophobicContact CB-CB 4.25Å; W163-P170 HydrophobicContact CB-CG 4.15Å; W163-P170 HydrophobicContact CG-CG 4.34Å |
| 164 | D | 93 | Very high | 92.4 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | trans | -87.8 | 114.7 | 158.4 | 159.7 | 18.4 | 0 | 0 | 0 | 107.1 | Q150 S166 R167 F171 F416 | Q150-D164 PolarHBondContact NE2-OD1 3.21Å; D164-S166 PolarHBondContact O-N 2.93Å; D164-S166 VanDerWaalsContact OD1-CB 3.23Å; D164-S166 WeakPolarHBondContact OD1-CB 3.35Å; D164-S166 PolarHBondContact OD1-N 2.95Å; D164-S166 PolarHBondContact OD1-OG 2.96Å; D164-S166 PolarHBondContact OD2-OG 3Å; D164-R167 HydrophobicContact CB-CG 4.46Å; D164-R167 VanDerWaalsContact O-CB 3.32Å; D164-R167 WeakPolarHBondContact O-CB 3.3Å; D164-R167 PolarHBondContact O-N 2.9Å; D164-R167 IonicContact OD2-NE 3.79Å; D164-R167 PolarHBondContact OD2-NE 2.83Å; D164-R167 VanDerWaalsContact OD2-NE 3.09Å; D164-F171 HydrophobicContact CB-CD1 3.87Å; D164-F171 HydrophobicContact CB-CE1 3.82Å; D164-F416 HydrophobicContact CB-CZ 4.06Å | ||
| 165 | W | 89.9 | Confident | 92.2 | Very high | 39 Ų | 39 | 45.7 Ų | 45.7 | 15% | 0.148 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 3.1 | -175.8 | 61.9 | 86.6 | 0 | 0 | 0 | 114.4 | H104 L110 I122 F145 Q150 L152 W163 R167 | H104-W165 AromaticContact CD2-CH2 3.74Å; H104-W165 AromaticContact NE2-CH2 3.62Å; L110-W165 HydrophobicContact CD2-CH2 4.29Å; L110-W165 HydrophobicContact CD2-CZ2 3.53Å; I122-W165 HydrophobicContact CG1-CB 3.82Å; I122-W165 HydrophobicContact CG1-CG 4.1Å; F145-W165 HydrophobicContact CD1-CE3 4.46Å; F145-W165 AromaticContact CD1-CH2 3.85Å; F145-W165 HydrophobicContact CD1-CH2 3.85Å; F145-W165 AromaticContact CD1-CZ3 3.62Å; F145-W165 HydrophobicContact CD1-CZ3 3.62Å; F145-W165 HydrophobicContact CE1-CE3 4.01Å; F145-W165 AromaticContact CE1-CH2 3.73Å; F145-W165 HydrophobicContact CE1-CH2 3.73Å; F145-W165 HydrophobicContact CE1-CZ2 4.37Å; F145-W165 AromaticContact CE1-CZ3 3.52Å; F145-W165 HydrophobicContact CE1-CZ3 3.52Å; Q150-W165 HydrophobicContact CB-CH2 4.39Å; Q150-W165 HydrophobicContact CG-CD2 3.98Å; Q150-W165 HydrophobicContact CG-CE3 4.12Å; Q150-W165 HydrophobicContact CG-CH2 3.84Å; Q150-W165 HydrophobicContact CG-CZ2 3.68Å; Q150-W165 HydrophobicContact CG-CZ3 4.05Å; L152-W165 HydrophobicContact CB-CE3 4.42Å; L152-W165 HydrophobicContact CB-CZ3 4.49Å; W163-W165 HydrophobicContact CD2-CB 4.41Å; W163-W165 HydrophobicContact CH2-CB 4.31Å; W163-W165 HydrophobicContact CZ2-CB 4.04Å; W165-R167 PolarHBondContact O-N 2.79Å |
| 166 | S | 88.8 | Confident | 92.1 | Very high | 84 Ų | 84 | 46.2 Ų | 46.2 | 59% | 0.587 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -20 | 158.5 | 79.6 | 0 | 0 | 0 | 0 | 111.8 | D164 | D164-S166 PolarHBondContact O-N 2.93Å; D164-S166 VanDerWaalsContact OD1-CB 3.23Å; D164-S166 WeakPolarHBondContact OD1-CB 3.35Å; D164-S166 PolarHBondContact OD1-N 2.95Å; D164-S166 PolarHBondContact OD1-OG 2.96Å; D164-S166 PolarHBondContact OD2-OG 3Å |
| 167 | R | 88.8 | Confident | 92 | Very high | 109 Ų | 109 | 49.7 Ų | 49.7 | 41% | 0.411 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -104.6 | 150.2 | -178.7 | -50.2 | 177.1 | -177.9 | -137.9 | -13.4 | 110.3 | W163 D164 W165 E169 F416 | W163-R167 PolarHBondContact NE1-O 2.84Å; D164-R167 HydrophobicContact CB-CG 4.46Å; D164-R167 VanDerWaalsContact O-CB 3.32Å; D164-R167 WeakPolarHBondContact O-CB 3.3Å; D164-R167 PolarHBondContact O-N 2.9Å; D164-R167 IonicContact OD2-NE 3.79Å; D164-R167 PolarHBondContact OD2-NE 2.83Å; D164-R167 VanDerWaalsContact OD2-NE 3.09Å; W165-R167 PolarHBondContact O-N 2.79Å; R167-E169 PolarHBondContact O-N 2.88Å; R167-F416 VanDerWaalsContact NH2-CE2 3.26Å |
| 168 | R | 86.3 | Confident | 91.9 | Very high | 227 Ų | 227 | 51.6 Ų | 51.6 | 86% | 0.857 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -71.9 | -14.3 | 177.3 | -70.8 | -176.3 | 173.4 | 176.6 | -1.4 | 114.5 | W132 | W132-R168 VanDerWaalsContact CD1-O 3.31Š|
| 169 | E | 88.4 | Confident | 91.5 | Very high | 138 Ų | 138 | 57.2 Ų | 57.2 | 65% | 0.645 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -144.8 | 154 | -174.5 | 64.9 | -169.3 | 179.2 | 0 | 0 | 111.5 | R167 | R167-E169 PolarHBondContact O-N 2.88Š|
| 170 | P | 92.6 | Very high | 90.9 | Very high | 20 Ų | 20 | 60.5 Ų | 60.5 | 13% | 0.13 | 30% | 0.304 | C | S | . | . | trans | -58.2 | 136.9 | 171 | -23.3 | 32.9 | 0 | 0 | 0 | 112.4 | W132 H161 F162 W163 | W132-P170 HydrophobicContact CD2-CG 3.92Å; W132-P170 HydrophobicContact CE3-CG 4.16Å; W132-P170 HydrophobicContact CH2-CG 3.83Å; W132-P170 HydrophobicContact CZ2-CG 3.6Å; W132-P170 HydrophobicContact CZ3-CG 4.12Å; W132-P170 VanDerWaalsContact NE1-CD 3.29Å; H161-P170 HydrophobicContact CB-CB 3.87Å; H161-P170 HydrophobicContact CB-CG 3.85Å; F162-P170 CarbonylContact O-C 3.58Å; F162-P170 VanDerWaalsContact O-CA 3.3Å; F162-P170 WeakPolarHBondContact O-CA 3.34Å; F162-P170 WeakPolarHBondContact O-CB 3.12Å; W163-P170 HydrophobicContact CB-CB 4.25Å; W163-P170 HydrophobicContact CB-CG 4.15Å; W163-P170 HydrophobicContact CG-CG 4.34Å | ||
| 171 | F | 92.7 | Very high | 90.5 | Very high | 55 Ų | 55 | 61 Ų | 61 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -89.4 | -16.5 | -177 | 63 | -99.9 | 0 | 0 | 0 | 113.5 | L151 F162 D164 L413 F416 | L151-F171 HydrophobicContact CD1-CE1 4.1Å; L151-F171 HydrophobicContact CD1-CZ 3.98Å; F162-F171 HydrophobicContact CB-CE1 4.39Å; F162-F171 HydrophobicContact CB-CE2 4.07Å; F162-F171 HydrophobicContact CB-CZ 3.93Å; F162-F171 WeakPolarHBondContact O-CD1 3.16Å; F162-F171 PolarHBondContact O-N 3.13Å; D164-F171 HydrophobicContact CB-CD1 3.87Å; D164-F171 HydrophobicContact CB-CE1 3.82Å; F171-L413 HydrophobicContact CD2-CD2 4.47Å; F171-L413 HydrophobicContact CE2-CD1 4.09Å; F171-L413 HydrophobicContact CE2-CD2 3.85Å; F171-L413 HydrophobicContact CZ-CD1 4.5Å; F171-F416 HydrophobicContact CE1-CE1 4.14Å; F171-F416 HydrophobicContact CE1-CZ 4.46Å; F171-F416 HydrophobicContact CZ-CD1 4.41Å; F171-F416 HydrophobicContact CZ-CE1 4.13Å |
| 172 | A | 93.1 | Very high | 90.2 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 151.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F162 L753 | F162-A172 HydrophobicContact CB-CB 4.13Å; F162-A172 PolarHBondContact N-O 2.92Å; A172-L753 HydrophobicContact CB-CD2 4.4Å |
| 173 | V | 93.8 | Very high | 90.1 | Very high | 59 Ų | 59 | 63.6 Ų | 63.6 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 133.4 | 178.3 | -172.6 | 0 | 0 | 0 | 0 | 109 | E159 I160 H161 K175 | E159-V173 HydrophobicContact CB-CG1 4.07Å; I160-V173 WeakPolarHBondContact O-CA 3.02Å; H161-V173 HydrophobicContact CB-CG2 4.5Å; H161-V173 VanDerWaalsContact ND1-CG2 3.35Å; H161-V173 WeakPolarHBondContact ND1-CG2 3.46Å; V173-K175 HydrophobicContact CG1-CG 4.37Å |
| 174 | V | 94.8 | Very high | 89.9 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 11% | 0.109 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 138.4 | 175.6 | -172.9 | 0 | 0 | 0 | 0 | 108.6 | E159 I160 F162 L753 P754 I756 | E159-V174 CarbonylContact C-O 3.55Å; E159-V174 WeakPolarHBondContact CA-O 3.33Å; I160-V174 PolarHBondContact N-O 3.1Å; I160-V174 PolarHBondContact O-N 2.95Å; F162-V174 HydrophobicContact CD2-CG2 4.29Å; F162-V174 HydrophobicContact CE2-CB 4.34Å; F162-V174 HydrophobicContact CE2-CG2 3.59Å; F162-V174 HydrophobicContact CZ-CG2 4.25Å; V174-L753 HydrophobicContact CG2-CB 4.16Å; V174-L753 HydrophobicContact CG2-CD1 4.42Å; V174-L753 HydrophobicContact CG2-CD2 3.98Å; V174-L753 HydrophobicContact CG2-CG 4.42Å; V174-P754 WeakPolarHBondContact CG1-O 3.45Å; V174-I756 HydrophobicContact CB-CD1 4.19Å; V174-I756 HydrophobicContact CG1-CD1 3.76Å; V174-I756 HydrophobicContact CG1-CG1 3.68Å |
| 175 | K | 93.7 | Very high | 89.9 | Confident | 109 Ų | 109 | 65 Ų | 65 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.7 | -175.1 | -49.1 | -166.2 | 179.8 | -150.6 | 0 | 111.4 | N158 E159 V173 | N158-K175 WeakPolarHBondContact O-CA 3.4Å; E159-K175 HydrophobicContact CB-CG 4.4Å; E159-K175 HydrophobicContact CG-CB 4.45Å; E159-K175 HydrophobicContact CG-CD 4.06Å; E159-K175 HydrophobicContact CG-CG 3.91Å; E159-K175 WeakPolarHBondContact OE1-CD 3.31Å; E159-K175 VanDerWaalsContact OE1-CE 3.24Å; E159-K175 WeakPolarHBondContact OE1-CE 3.24Å; E159-K175 IonicContact OE1-NZ 3.09Å; E159-K175 PolarHBondContact OE1-NZ 3.46Å; E159-K175 VanDerWaalsContact OE2-CE 3.27Å; E159-K175 WeakPolarHBondContact OE2-CE 3.48Å; E159-K175 IonicContact OE2-NZ 3.38Å; E159-K175 PolarHBondContact OE2-NZ 3.13Å; E159-K175 VanDerWaalsContact OE2-NZ 3.09Å; V173-K175 HydrophobicContact CG1-CG 4.37Å |
| 176 | T | 92.1 | Very high | 90.2 | Very high | 11 Ų | 11 | 63.3 Ų | 63.3 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | trans | -75.3 | 166.8 | 170.3 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | N158 S178 E181 V183 I199 I756 | N158-T176 PolarHBondContact O-N 3.01Å; N158-T176 PolarHBondContact O-OG1 2.85Å; T176-S178 PolarHBondContact O-N 2.89Å; T176-S178 PolarHBondContact OG1-O 2.79Å; T176-S178 VanDerWaalsContact OG1-O 3.12Å; T176-E181 WeakPolarHBondContact CB-O 3.32Å; T176-E181 HydrophobicContact CG2-CB 4.47Å; T176-E181 WeakPolarHBondContact CG2-O 3.26Å; T176-E181 PolarHBondContact OG1-O 2.92Å; T176-V183 HydrophobicContact CG2-CG2 3.95Å; T176-I199 HydrophobicContact CG2-CD1 3.87Å; T176-I199 HydrophobicContact CG2-CG2 3.94Å; T176-I756 HydrophobicContact CG2-CB 4.46Å; T176-I756 HydrophobicContact CG2-CD1 3.95Å; T176-I756 HydrophobicContact CG2-CG1 3.92Å | ||
| 177 | A | 87.8 | Confident | 90.5 | Very high | 76 Ų | 76 | 62.2 Ų | 62.2 | 63% | 0.628 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -72.5 | -8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S757 | A177-S757 VanDerWaalsContact CB-O 3.25Å; A177-S757 WeakPolarHBondContact CB-O 3.34Å |
| 178 | S | 86.2 | Confident | 90.8 | Very high | 56 Ų | 56 | 57.6 Ų | 57.6 | 39% | 0.392 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -154.9 | 143.7 | 177.2 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | T176 M180 E181 | T176-S178 PolarHBondContact O-N 2.89Å; T176-S178 PolarHBondContact OG1-O 2.79Å; T176-S178 VanDerWaalsContact OG1-O 3.12Å; S178-M180 PolarHBondContact O-N 2.92Å; S178-M180 PolarHBondContact OG-N 2.94Å; S178-E181 PolarHBondContact O-N 3.44Å |
| 179 | E | 83.4 | Confident | 91.1 | Very high | 137 Ų | 137 | 47.6 Ų | 47.6 | 64% | 0.64 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -18.2 | 175 | -61.6 | -178.9 | -174.1 | 0 | 0 | 113.6 | R182 | E179-R182 WeakPolarHBondContact O-CG 3.12Š|
| 180 | M | 81.6 | Confident | 91.1 | Very high | 94 Ų | 94 | 44 Ų | 44 | 46% | 0.463 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -25.9 | 173.8 | -63.6 | -61.7 | -132.6 | 0 | 0 | 113.1 | S178 R182 | S178-M180 PolarHBondContact O-N 2.92Å; S178-M180 PolarHBondContact OG-N 2.94Å; M180-R182 VanDerWaalsContact C-N 3.31Å; M180-R182 PolarHBondContact O-N 3.25Å |
| 181 | E | 87.9 | Confident | 90.9 | Very high | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.056 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -82 | 75.8 | 175.4 | -67.4 | -153.8 | 139.5 | 0 | 0 | 110.3 | T176 S178 I199 P202 R742 | T176-E181 WeakPolarHBondContact CB-O 3.32Å; T176-E181 HydrophobicContact CG2-CB 4.47Å; T176-E181 WeakPolarHBondContact CG2-O 3.26Å; T176-E181 PolarHBondContact OG1-O 2.92Å; S178-E181 PolarHBondContact O-N 3.44Å; E181-I199 HydrophobicContact CB-CG2 3.98Å; E181-P202 VanDerWaalsContact OE1-CD 3.32Å; E181-P202 WeakPolarHBondContact OE1-CD 3.13Å; E181-P202 WeakPolarHBondContact OE1-CG 3.36Å; E181-R742 VanDerWaalsContact CD-NH1 3.3Å; E181-R742 IonicContact OE1-CZ 2.64Å; E181-R742 IonicContact OE1-NH1 2.77Å; E181-R742 PolarHBondContact OE1-NH1 3.49Å; E181-R742 IonicContact OE1-NH2 3.49Å; E181-R742 PolarHBondContact OE1-NH2 2.92Å; E181-R742 IonicContact OE2-CZ 3.73Å; E181-R742 IonicContact OE2-NH1 2.7Å; E181-R742 IonicContact OE2-NH2 2.68Å; E181-R742 PolarHBondContact OE2-NH2 3.17Å |
| 182 | R | 88.4 | Confident | 90.8 | Very high | 65 Ų | 65 | 45.4 Ų | 45.4 | 25% | 0.245 | 24% | 0.242 | C | C | . | . | trans | -80.4 | 140 | -175.5 | -60.3 | -168.4 | -163.5 | 132.8 | -7.8 | 113.1 | A157 E179 M180 I199 V200 G1060 N1061 | A157-R182 CarbonylContact O-C 3.6Å; A157-R182 WeakPolarHBondContact O-CA 3.45Å; A157-R182 VanDerWaalsContact O-CB 3.22Å; A157-R182 WeakPolarHBondContact O-CB 3.21Å; E179-R182 WeakPolarHBondContact O-CG 3.12Å; M180-R182 VanDerWaalsContact C-N 3.31Å; M180-R182 PolarHBondContact O-N 3.25Å; R182-I199 CarbonylContact O-C 3.47Å; R182-I199 WeakPolarHBondContact O-CA 3.34Å; R182-V200 HydrophobicContact CB-CG2 4.14Å; R182-V200 WeakPolarHBondContact O-CG2 2.95Å; R182-V200 PolarHBondContact O-N 2.81Å; R182-G1060 PolarHBondContact NH1-O 3.17Å; R182-G1060 PolarHBondContact NH2-O 3.32Å; R182-N1061 PolarHBondContact NH2-OD1 3.38Å | ||
| 183 | V | 92.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 124.8 | 175.1 | -171.8 | 0 | 0 | 0 | 0 | 108.8 | A141 A155 A157 I160 T176 V186 A198 I199 I756 | A141-V183 WeakPolarHBondContact CB-O 3.37Å; A155-V183 HydrophobicContact CB-CB 4.32Å; A155-V183 HydrophobicContact CB-CG1 3.84Å; A157-V183 PolarHBondContact O-N 2.93Å; I160-V183 HydrophobicContact CD1-CG1 4.09Å; I160-V183 HydrophobicContact CD1-CG2 4.4Å; I160-V183 HydrophobicContact CG1-CB 4.5Å; I160-V183 HydrophobicContact CG1-CG1 4.08Å; I160-V183 HydrophobicContact CG1-CG2 4.05Å; T176-V183 HydrophobicContact CG2-CG2 3.95Å; V183-V186 HydrophobicContact CG1-CG1 4.18Å; V183-A198 CarbonylContact C-O 3.54Å; V183-A198 WeakPolarHBondContact CA-O 3.33Å; V183-I199 HydrophobicContact CG2-CD1 4.43Å; V183-I199 HydrophobicContact CG2-CG1 4.33Å; V183-I756 HydrophobicContact CG2-CD1 4.44Å |
| 184 | R | 91.3 | Very high | 90.6 | Very high | 35 Ų | 35 | 49.1 Ų | 49.1 | 13% | 0.132 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -29.1 | -175.9 | -174.1 | 65.9 | -155 | 103.1 | -22.4 | 113.9 | A141 A198 Y741 I770 Y771 | A141-R184 PolarHBondContact O-NH1 3.04Å; R184-A198 PolarHBondContact N-O 2.61Å; R184-Y741 HydrophobicContact CB-CD1 3.67Å; R184-Y741 HydrophobicContact CB-CE1 3.43Å; R184-Y741 VanDerWaalsContact CB-CE1 3.43Å; R184-Y741 HydrophobicContact CG-CD1 4.22Å; R184-Y741 HydrophobicContact CG-CE1 3.68Å; R184-I770 HydrophobicContact CG-CB 4.1Å; R184-I770 HydrophobicContact CG-CG2 3.66Å; R184-Y771 PolarHBondContact NE-O 3.05Å; R184-Y771 PolarHBondContact NH2-O 2.83Å |
| 185 | L | 93.5 | Very high | 90.7 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 137.9 | -173.2 | -175.3 | 70.2 | 0 | 0 | 0 | 109.5 | L196 T197 A198 I770 D773 C776 | L185-L196 HydrophobicContact CD2-CD2 4.3Å; L185-T197 WeakPolarHBondContact O-CA 3.22Å; L185-A198 HydrophobicContact CB-CB 3.66Å; L185-A198 PolarHBondContact O-N 2.74Å; L185-I770 HydrophobicContact CD2-CD1 4.48Å; L185-D773 HydrophobicContact CD1-CB 3.96Å; L185-C776 HydrophobicContact CD2-CB 3.86Å |
| 186 | V | 96.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137 | 162.5 | -73.2 | 0 | 0 | 0 | 0 | 108.8 | S142 A144 L153 A155 I160 V183 L196 T197 | S142-V186 PolarHBondContact OG-N 2.92Å; S142-V186 VanDerWaalsContact OG-N 3.09Å; S142-V186 PolarHBondContact OG-O 3.1Å; A144-V186 HydrophobicContact CB-CB 4.49Å; A144-V186 HydrophobicContact CB-CG2 4.17Å; L153-V186 HydrophobicContact CB-CG2 4.27Å; A155-V186 HydrophobicContact CB-CG1 3.99Å; A155-V186 HydrophobicContact CB-CG2 3.99Å; I160-V186 HydrophobicContact CD1-CG1 3.83Å; I160-V186 HydrophobicContact CG1-CG1 4.28Å; I160-V186 HydrophobicContact CG2-CG1 4.39Å; V183-V186 HydrophobicContact CG1-CG1 4.18Å; V186-L196 WeakPolarHBondContact CA-O 3.42Å; V186-T197 HydrophobicContact CG1-CG2 4.38Å |
| 187 | R | 95.7 | Very high | 91 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 130.2 | 177.5 | -172.3 | 166.4 | 174.1 | 176.7 | -5.9 | 111.6 | L196 C776 D777 I778 | R187-L196 PolarHBondContact N-O 2.95Å; R187-L196 WeakPolarHBondContact O-CB 3.44Å; R187-L196 PolarHBondContact O-N 2.87Å; R187-C776 PolarHBondContact NH1-O 3.27Å; R187-D777 IonicContact CZ-OD1 3.35Å; R187-D777 VanDerWaalsContact CZ-OD1 3.24Å; R187-D777 IonicContact NH1-OD1 3.44Å; R187-D777 PolarHBondContact NH1-OD1 2.9Å; R187-D777 IonicContact NH2-OD1 2.75Å; R187-D777 PolarHBondContact NH2-OD1 3.01Å; R187-I778 HydrophobicContact CG-CD1 4.16Å |
| 188 | F | 95.1 | Very high | 91.3 | Very high | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.057 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 158.5 | 169.3 | -69.2 | -76.6 | 0 | 0 | 0 | 111.9 | A144 F145 H146 L153 Y194 L195 F748 | A144-F188 HydrophobicContact CB-CD2 4.02Å; A144-F188 HydrophobicContact CB-CE2 4.38Å; F145-F188 VanDerWaalsContact O-CD2 3.25Å; F145-F188 WeakPolarHBondContact O-CD2 3.32Å; H146-F188 HydrophobicContact CB-CD2 4.39Å; H146-F188 HydrophobicContact CB-CE2 3.89Å; H146-F188 HydrophobicContact CB-CZ 4.07Å; H146-F188 AromaticContact CD2-CD1 3.95Å; H146-F188 AromaticContact CD2-CE1 3.69Å; H146-F188 AromaticContact CD2-CZ 3.86Å; L153-F188 HydrophobicContact CD1-CE1 4.18Å; L153-F188 HydrophobicContact CD1-CE2 3.62Å; L153-F188 HydrophobicContact CD1-CZ 3.39Å; L153-F188 HydrophobicContact CG-CE2 3.76Å; L153-F188 HydrophobicContact CG-CZ 3.77Å; F188-Y194 CarbonylContact C-O 3.6Å; F188-Y194 WeakPolarHBondContact CA-O 3.34Å; F188-L195 HydrophobicContact CD1-CB 4.14Å; F188-L195 HydrophobicContact CD1-CD1 4.24Å; F188-L195 HydrophobicContact CE1-CB 4.07Å; F188-L195 HydrophobicContact CE1-CD1 4.17Å; F188-L195 HydrophobicContact CZ-CD1 4.44Å; F188-F748 AromaticContact CE1-CD1 3.63Å; F188-F748 HydrophobicContact CE1-CD1 3.63Å; F188-F748 HydrophobicContact CE1-CE1 4.02Å; F188-F748 HydrophobicContact CE1-CG 4.19Å; F188-F748 HydrophobicContact CZ-CD1 4.26Å; F188-F748 HydrophobicContact CZ-CE1 4.19Å |
| 189 | D | 91.8 | Very high | 91.6 | Very high | 16 Ų | 16 | 36.3 Ų | 36.3 | 9% | 0.086 | 17% | 0.17 | C | C | . | . | trans | -67.8 | 169.7 | 161.2 | 93.4 | -20.5 | 0 | 0 | 0 | 111.3 | L191 G192 H193 Y194 W745 | D189-L191 PolarHBondContact O-N 3Å; D189-L191 WeakPolarHBondContact OD1-CA 3.49Å; D189-L191 PolarHBondContact OD1-N 3.28Å; D189-G192 PolarHBondContact O-N 3.26Å; D189-G192 PolarHBondContact OD1-N 2.87Å; D189-H193 PolarHBondContact OD1-N 3.09Å; D189-H193 VanDerWaalsContact OD1-N 3.09Å; D189-Y194 PolarHBondContact N-O 3.05Å; D189-W745 HydrophobicContact CB-CH2 3.98Å | ||
| 190 | P | 88.1 | Confident | 91.9 | Very high | 64 Ų | 64 | 30.6 Ų | 30.6 | 42% | 0.416 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -8.3 | -178 | -23.9 | 35.5 | 0 | 0 | 0 | 115.9 | ||
| 191 | L | 88.6 | Confident | 92.1 | Very high | 102 Ų | 102 | 27 Ų | 27 | 53% | 0.534 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -13.2 | -177.4 | -58.5 | 177.2 | 0 | 0 | 0 | 112.9 | D189 H193 | D189-L191 PolarHBondContact O-N 3Å; D189-L191 WeakPolarHBondContact OD1-CA 3.49Å; D189-L191 PolarHBondContact OD1-N 3.28Å; L191-H193 VanDerWaalsContact C-N 3.28Å |
| 192 | G | 90.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 87.2 | -9.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114 | H146 P147 D189 Y194 | H146-G192 WeakPolarHBondContact NE2-CA 3.32Å; H146-G192 PolarHBondContact NE2-O 2.83Å; P147-G192 VanDerWaalsContact CD-CA 3.45Å; P147-G192 VanDerWaalsContact CG-N 3.27Å; D189-G192 PolarHBondContact O-N 3.26Å; D189-G192 PolarHBondContact OD1-N 2.87Å; G192-Y194 VanDerWaalsContact C-N 3.26Å; G192-Y194 PolarHBondContact O-N 2.93Å |
| 193 | H | 91 | Very high | 89.9 | Confident | 87 Ų | 87 | 30.7 Ų | 30.7 | 40% | 0.403 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -66.9 | -27.1 | -171.6 | -63.7 | -13.2 | 0 | 0 | 0 | 113.4 | D189 L191 F748 T749 | D189-H193 PolarHBondContact OD1-N 3.09Å; D189-H193 VanDerWaalsContact OD1-N 3.09Å; L191-H193 VanDerWaalsContact C-N 3.28Å; H193-F748 PolarHBondContact O-N 2.93Å; H193-T749 HydrophobicContact CB-CG2 3.68Å; H193-T749 PolarHBondContact O-N 3.22Å |
| 194 | Y | 93.3 | Very high | 88.1 | Confident | 68 Ų | 68 | 33.7 Ų | 33.7 | 27% | 0.267 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 143.9 | -179 | -62.4 | -75.9 | 0 | 0 | 0 | 112.3 | F188 D189 G192 W745 W746 D747 | F188-Y194 CarbonylContact C-O 3.6Å; F188-Y194 WeakPolarHBondContact CA-O 3.34Å; D189-Y194 PolarHBondContact N-O 3.05Å; G192-Y194 VanDerWaalsContact C-N 3.26Å; G192-Y194 PolarHBondContact O-N 2.93Å; Y194-W745 VanDerWaalsContact CB-CE2 3.43Å; Y194-W745 AromaticContact CD1-CE2 3.93Å; Y194-W745 HydrophobicContact CD1-CZ2 4.3Å; Y194-W745 AromaticContact CD1-NE1 3.31Å; Y194-W745 VanDerWaalsContact CD1-NE1 3.31Å; Y194-W745 AromaticContact CD2-CZ2 3.8Å; Y194-W745 HydrophobicContact CD2-CZ2 3.8Å; Y194-W745 AromaticContact CE1-NE1 3.95Å; Y194-W745 AromaticContact CG-CE2 3.6Å; Y194-W745 HydrophobicContact CG-CH2 4.47Å; Y194-W745 AromaticContact CG-CZ2 3.51Å; Y194-W745 HydrophobicContact CG-CZ2 3.51Å; Y194-W745 AromaticContact CG-NE1 3.46Å; Y194-W746 CarbonylContact C-O 3.6Å; Y194-W746 VanDerWaalsContact CA-O 3.26Å; Y194-W746 WeakPolarHBondContact CA-O 3.5Å; Y194-D747 HydrophobicContact CD1-CB 4.31Å; Y194-D747 HydrophobicContact CE1-CB 4.02Å |
| 195 | L | 95.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.7 | 177.4 | 172.4 | 62.2 | 0 | 0 | 0 | 110.7 | L153 F188 T197 W746 P754 | L153-L195 HydrophobicContact CD1-CD1 3.44Å; L153-L195 VanDerWaalsContact CD1-CD1 3.44Å; L153-L195 HydrophobicContact CD1-CD2 3.59Å; L153-L195 HydrophobicContact CD1-CG 4.15Å; F188-L195 HydrophobicContact CD1-CB 4.14Å; F188-L195 HydrophobicContact CD1-CD1 4.24Å; F188-L195 HydrophobicContact CE1-CB 4.07Å; F188-L195 HydrophobicContact CE1-CD1 4.17Å; F188-L195 HydrophobicContact CZ-CD1 4.44Å; L195-T197 HydrophobicContact CD1-CG2 4.45Å; L195-T197 HydrophobicContact CD2-CG2 4.03Å; L195-T197 HydrophobicContact CG-CG2 3.94Å; L195-W746 HydrophobicContact CB-CB 4.34Å; L195-W746 PolarHBondContact N-O 2.88Å; L195-W746 PolarHBondContact O-N 3.1Å; L195-P754 HydrophobicContact CD2-CG 4.17Å |
| 196 | L | 95.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 121.4 | 167.8 | -174.6 | 74.1 | 0 | 0 | 0 | 109.7 | L185 V186 R187 L743 Q744 W745 I778 L785 | L185-L196 HydrophobicContact CD2-CD2 4.3Å; V186-L196 WeakPolarHBondContact CA-O 3.42Å; R187-L196 PolarHBondContact N-O 2.95Å; R187-L196 WeakPolarHBondContact O-CB 3.44Å; R187-L196 PolarHBondContact O-N 2.87Å; L196-L743 HydrophobicContact CD1-CB 4.07Å; L196-L743 HydrophobicContact CD1-CD1 4.38Å; L196-L743 HydrophobicContact CD1-CD2 4.44Å; L196-Q744 WeakPolarHBondContact CA-O 3.44Å; L196-W745 HydrophobicContact CB-CE3 4.03Å; L196-W745 HydrophobicContact CB-CZ3 4.06Å; L196-W745 HydrophobicContact CD1-CE3 3.89Å; L196-W745 HydrophobicContact CD1-CZ3 4.41Å; L196-I778 HydrophobicContact CD2-CD1 4.33Å; L196-L785 HydrophobicContact CD1-CD2 4.26Å; L196-L785 HydrophobicContact CD2-CD1 3.78Å |
| 197 | T | 96.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 133.7 | 170.5 | 61 | 0 | 0 | 0 | 0 | 110.2 | I160 L185 V186 L195 Q744 W746 I756 | I160-T197 HydrophobicContact CD1-CG2 3.8Å; L185-T197 WeakPolarHBondContact O-CA 3.22Å; V186-T197 HydrophobicContact CG1-CG2 4.38Å; L195-T197 HydrophobicContact CD1-CG2 4.45Å; L195-T197 HydrophobicContact CD2-CG2 4.03Å; L195-T197 HydrophobicContact CG-CG2 3.94Å; T197-Q744 PolarHBondContact N-O 2.78Å; T197-Q744 PolarHBondContact O-N 2.84Å; T197-W746 PolarHBondContact OG1-NE1 2.82Å; T197-I756 HydrophobicContact CG2-CG2 4.41Å |
| 198 | A | 94.2 | Very high | 78.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 130.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | V183 R184 L185 R742 L743 I770 | V183-A198 CarbonylContact C-O 3.54Å; V183-A198 WeakPolarHBondContact CA-O 3.33Å; R184-A198 PolarHBondContact N-O 2.61Å; L185-A198 HydrophobicContact CB-CB 3.66Å; L185-A198 PolarHBondContact O-N 2.74Å; A198-R742 CarbonylContact C-O 3.58Å; A198-R742 VanDerWaalsContact CA-O 3.28Å; A198-R742 WeakPolarHBondContact CA-O 3.47Å; A198-L743 HydrophobicContact CB-CD2 3.46Å; A198-L743 VanDerWaalsContact CB-CD2 3.46Å; A198-I770 HydrophobicContact CB-CD1 3.26Å |
| 199 | I | 93.4 | Very high | 75.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 141.2 | -172.1 | -47.3 | -172.7 | 0 | 0 | 0 | 110.2 | T176 E181 R182 V183 N201 Y741 R742 I756 | T176-I199 HydrophobicContact CG2-CD1 3.87Å; T176-I199 HydrophobicContact CG2-CG2 3.94Å; E181-I199 HydrophobicContact CB-CG2 3.98Å; R182-I199 CarbonylContact O-C 3.47Å; R182-I199 WeakPolarHBondContact O-CA 3.34Å; V183-I199 HydrophobicContact CG2-CD1 4.43Å; V183-I199 HydrophobicContact CG2-CG1 4.33Å; I199-N201 PolarHBondContact O-N 2.87Å; I199-Y741 CarbonylContact O-C 3.57Å; I199-Y741 WeakPolarHBondContact O-CA 3.44Å; I199-Y741 WeakPolarHBondContact O-CB 3.22Å; I199-R742 HydrophobicContact CB-CG 4.12Å; I199-R742 PolarHBondContact N-O 2.98Å; I199-R742 WeakPolarHBondContact O-CG 3.37Å; I199-R742 PolarHBondContact O-N 2.87Å; I199-I756 HydrophobicContact CD1-CB 3.83Å; I199-I756 HydrophobicContact CD1-CG2 4.44Å |
| 200 | V | 90.4 | Very high | 72.4 | Confident | 18 Ų | 18 | 69.8 Ų | 69.8 | 11% | 0.109 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 134.4 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | R182 T739 Y741 R742 | R182-V200 HydrophobicContact CB-CG2 4.14Å; R182-V200 WeakPolarHBondContact O-CG2 2.95Å; R182-V200 PolarHBondContact O-N 2.81Å; V200-T739 HydrophobicContact CB-CG2 4.42Å; V200-T739 HydrophobicContact CG1-CG2 3.8Å; V200-T739 HydrophobicContact CG2-CG2 3.93Å; V200-Y741 HydrophobicContact CB-CD1 4.44Å; V200-Y741 HydrophobicContact CG2-CD1 3.79Å; V200-Y741 HydrophobicContact CG2-CE1 3.44Å; V200-Y741 VanDerWaalsContact CG2-CE1 3.44Å; V200-R742 PolarHBondContact O-NH1 2.99Å |
| 201 | N | 85.7 | Confident | 70.1 | Confident | 17 Ų | 17 | 71.6 Ų | 71.6 | 9% | 0.091 | 39% | 0.392 | C | S | . | . | trans | -80.1 | 129.7 | 171.4 | -72.5 | -31.1 | 0 | 0 | 0 | 111.4 | I199 S203 N204 T740 R742 Q766 N767 | I199-N201 PolarHBondContact O-N 2.87Å; N201-S203 VanDerWaalsContact C-N 3.3Å; N201-S203 PolarHBondContact O-N 2.95Å; N201-N204 PolarHBondContact O-ND2 2.82Å; N201-T740 PolarHBondContact N-O 2.95Å; N201-T740 PolarHBondContact ND2-OG1 2.79Å; N201-T740 VanDerWaalsContact ND2-OG1 3.11Å; N201-R742 VanDerWaalsContact OD1-CB 3.3Å; N201-R742 WeakPolarHBondContact OD1-CB 3.47Å; N201-R742 WeakPolarHBondContact OD1-CG 3.38Å; N201-R742 PolarHBondContact OD1-N 2.87Å; N201-Q766 PolarHBondContact ND2-O 3.22Å; N201-N767 PolarHBondContact ND2-OD1 3.24Å | ||
| 202 | P | 70.3 | Confident | 67.4 | Low | 75 Ų | 75 | 76 Ų | 76 | 49% | 0.487 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -71.2 | -23.4 | -174 | 28.4 | -35.1 | 0 | 0 | 0 | 113.1 | E181 N204 | E181-P202 VanDerWaalsContact OE1-CD 3.32Å; E181-P202 WeakPolarHBondContact OE1-CD 3.13Å; E181-P202 WeakPolarHBondContact OE1-CG 3.36Å; P202-N204 PolarHBondContact O-N 2.84Å; P202-N204 VanDerWaalsContact O-N 3.09Å |
| 203 | S | 59.3 | Low | 64.8 | Low | 81 Ų | 81 | 82.7 Ų | 82.7 | 57% | 0.566 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -65.6 | -10.3 | -179.3 | 57.7 | 0 | 0 | 0 | 0 | 114.8 | N201 Q205 | N201-S203 VanDerWaalsContact C-N 3.3Å; N201-S203 PolarHBondContact O-N 2.95Å; S203-Q205 PolarHBondContact O-N 3.44Å |
| 204 | N | 55 | Low | 61.9 | Low | 66 Ų | 66 | 84.1 Ų | 84.1 | 35% | 0.353 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -77.8 | 9.6 | -179 | -65.4 | -55.4 | 0 | 0 | 0 | 114.2 | N201 P202 T740 | N201-N204 PolarHBondContact O-ND2 2.82Å; P202-N204 PolarHBondContact O-N 2.84Å; P202-N204 VanDerWaalsContact O-N 3.09Å; N204-T740 PolarHBondContact ND2-N 3.44Å; N204-T740 VanDerWaalsContact ND2-N 3.12Å; N204-T740 PolarHBondContact ND2-O 2.84Å; N204-T740 PolarHBondContact ND2-OG1 2.64Å; N204-T740 PolarHBondContact OD1-OG1 2.98Å |
| 205 | Q | 48.3 | Very low | 59.3 | Low | 121 Ų | 121 | 88.9 Ų | 88.9 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -117.7 | -2.5 | -177.5 | -63.4 | -174.9 | 1.6 | 0 | 0 | 114.3 | S203 | S203-Q205 PolarHBondContact O-N 3.44Š|
| 206 | Q | 41.1 | Very low | 56.2 | Low | 191 Ų | 191 | 96.9 Ų | 96.9 | 89% | 0.893 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -98.8 | 93.2 | 172.6 | -76.7 | -179.7 | -38.8 | 0 | 0 | 110 | ||
| 207 | G | 39.3 | Very low | 53.1 | Low | 69 Ų | 69 | 100.3 Ų | 100.3 | 71% | 0.711 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 157 | 59.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 208 | D | 37.5 | Very low | 50.2 | Low | 163 Ų | 163 | 107.1 Ų | 107.1 | 87% | 0.872 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -154.2 | -32.9 | 158.9 | -117.3 | -10.8 | 0 | 0 | 0 | 110.1 | E210 | D208-E210 PolarHBondContact O-N 3.01Š|
| 209 | D | 36.5 | Very low | 47.1 | Very low | 166 Ų | 166 | 116.4 Ų | 116.4 | 89% | 0.888 | 65% | 0.653 | S | S | * | * | trans | -82.4 | 86.4 | 163.8 | -67.1 | -51.7 | 0 | 0 | 0 | 111.2 | P211 | D209-P211 WeakPolarHBondContact O-CD 3.46Š| ||
| 210 | E | 31.3 | Very low | 44.1 | Very low | 176 Ų | 176 | 124.7 Ų | 124.7 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | trans | -76.8 | 120 | 162 | -80.1 | -95.1 | 117.9 | 0 | 0 | 109.3 | D208 E212 | D208-E210 PolarHBondContact O-N 3.01Å; E210-E212 PolarHBondContact O-N 2.99Å | ||
| 211 | P | 38.7 | Very low | 40.9 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 66% | 0.662 | 73% | 0.73 | S | S | * | * | trans | -74 | 117.9 | 170.3 | 29.6 | -31.8 | 0 | 0 | 0 | 109.7 | D209 I213 | D209-P211 WeakPolarHBondContact O-CD 3.46Å; P211-I213 PolarHBondContact O-N 2.83Å | ||
| 212 | E | 32 | Very low | 38.3 | Very low | 196 Ų | 196 | 137 Ų | 137 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | trans | -62.4 | 104.2 | 173.8 | -67.5 | -171.7 | 144 | 0 | 0 | 110.5 | E210 P214 | E210-E212 PolarHBondContact O-N 2.99Å; E212-P214 WeakPolarHBondContact O-CD 3.28Å | ||
| 213 | I | 35.4 | Very low | 36.2 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | -87.4 | 119.4 | 173 | -58.9 | 178.9 | 0 | 0 | 0 | 108.5 | P211 | P211-I213 PolarHBondContact O-N 2.83Š| ||
| 214 | P | 30.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 151 Ų | 151 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -63 | 137.2 | 175.7 | -21.7 | 33.9 | 0 | 0 | 0 | 111.8 | E212 D216 | E212-P214 WeakPolarHBondContact O-CD 3.28Å; P214-D216 PolarHBondContact O-N 2.82Å | ||
| 215 | I | 38.3 | Very low | 33.1 | Very low | 168 Ų | 168 | 157.5 Ų | 157.5 | 86% | 0.862 | 83% | 0.825 | S | S | * | * | trans | -90.5 | 99.4 | 175.8 | -55.6 | 173.7 | 0 | 0 | 0 | 108.8 | ||||
| 216 | D | 29.8 | Very low | 32 | Very low | 168 Ų | 168 | 162.2 Ų | 162.2 | 90% | 0.898 | 84% | 0.838 | S | S | * | * | trans | -161.8 | 155.2 | 151.5 | -121.9 | -28.9 | 0 | 0 | 0 | 111.7 | P214 | P214-D216 PolarHBondContact O-N 2.82Š| ||
| 217 | G | 32 | Very low | 31.4 | Very low | 73 Ų | 73 | 157.1 Ų | 157.1 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | 99.1 | 98.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 218 | T | 35.3 | Very low | 31.1 | Very low | 143 Ų | 143 | 162 Ų | 162 | 88% | 0.877 | 84% | 0.837 | S | S | * | * | trans | -78.5 | 124.6 | 169.9 | 44.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 219 | E | 27.9 | Very low | 30.6 | Very low | 194 Ų | 194 | 162.6 Ų | 162.6 | 91% | 0.907 | 84% | 0.84 | S | S | * | * | -167.9 | 158.6 | 127.9 | -110.6 | 176 | -160.5 | 0 | 0 | 112 | |||||
| 220 | L | 30.7 | Very low | 30 | Very low | 174 Ų | 174 | 163.2 Ų | 163.2 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | trans | -110.5 | 131.3 | -176.6 | -102 | 77.5 | 0 | 0 | 0 | 111.9 | ||||
| 221 | S | 24.6 | Very low | 29.8 | Very low | 118 Ų | 118 | 160.6 Ų | 160.6 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | trans | -150 | 130.8 | 148.2 | 46.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 222 | H | 30.4 | Very low | 29.1 | Very low | 177 Ų | 177 | 164.5 Ų | 164.5 | 82% | 0.819 | 85% | 0.848 | S | S | * | * | trans | -29.2 | 131.5 | -175.3 | -52 | -68.6 | 0 | 0 | 0 | 120.4 | ||||
| 223 | Y | 25.2 | Very low | 29.1 | Very low | 237 Ų | 237 | 160.8 Ų | 160.8 | 93% | 0.929 | 84% | 0.841 | S | S | * | * | -131.3 | 136.8 | 129 | -123.9 | -92.3 | 0 | 0 | 0 | 110.9 | |||||
| 224 | R | 23.6 | Very low | 28.8 | Very low | 211 Ų | 211 | 160.9 Ų | 160.9 | 80% | 0.796 | 85% | 0.848 | S | S | * | * | trans | -88.7 | 115.9 | -176.6 | -88.1 | 179.8 | 169.1 | 151.3 | -4.2 | 111.3 | R226 | R224-R226 PolarHBondContact O-N 2.99Š| ||
| 225 | Q | 27.2 | Very low | 28.7 | Very low | 203 Ų | 203 | 167 Ų | 167 | 95% | 0.949 | 86% | 0.856 | S | S | * | * | trans | -80.4 | 103.9 | 161 | -156.5 | 173 | 29.7 | 0 | 0 | 108.8 | ||||
| 226 | R | 24.5 | Very low | 28.4 | Very low | 221 Ų | 221 | 169.7 Ų | 169.7 | 83% | 0.834 | 86% | 0.855 | S | S | * | * | trans | -86.3 | 121.4 | 175.1 | -102.2 | -176.2 | 171.4 | 166.5 | -3.7 | 110.2 | R224 | R224-R226 PolarHBondContact O-N 2.99Š| ||
| 227 | A | 28.3 | Very low | 28.3 | Very low | 84 Ų | 84 | 168.3 Ų | 168.3 | 69% | 0.694 | 85% | 0.853 | S | S | * | * | trans | -74.7 | 166.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 228 | L | 33.8 | Very low | 28.4 | Very low | 171 Ų | 171 | 170.6 Ų | 170.6 | 90% | 0.895 | 85% | 0.854 | S | S | * | * | trans | 62.7 | 100.3 | 171.3 | -62.5 | 165.4 | 0 | 0 | 0 | 116 | ||||
| 229 | L | 25.5 | Very low | 28.1 | Very low | 175 Ų | 175 | 172.1 Ų | 172.1 | 92% | 0.916 | 86% | 0.856 | S | S | * | * | trans | -125.9 | 147.8 | 146.3 | -86.6 | 174.9 | 0 | 0 | 0 | 109.6 | ||||
| 230 | Q | 24.7 | Very low | 28.2 | Very low | 180 Ų | 180 | 170.4 Ų | 170.4 | 84% | 0.841 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 154.8 | -170.2 | -64.7 | 155.6 | -64.3 | 0 | 0 | 111.8 | Q232 | Q230-Q232 PolarHBondContact O-N 3.4Š|
| 231 | S | 27 | Very low | 28 | Very low | 121 Ų | 121 | 170.3 Ų | 170.3 | 85% | 0.846 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 126.8 | 164 | 40.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 232 | Q | 23.8 | Very low | 28.1 | Very low | 183 Ų | 183 | 172 Ų | 172 | 86% | 0.855 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 135.6 | 166.4 | -70.1 | -162.3 | 3.6 | 0 | 0 | 109.9 | Q230 | Q230-Q232 PolarHBondContact O-N 3.4Š|
| 233 | P | 31.8 | Very low | 27.9 | Very low | 119 Ų | 119 | 172.2 Ų | 172.2 | 77% | 0.773 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 131.6 | 173.2 | 30.6 | -32.9 | 0 | 0 | 0 | 110.7 | R235 | P233-R235 PolarHBondContact O-N 2.78Š|
| 234 | V | 30.6 | Very low | 28 | Very low | 142 Ų | 142 | 168 Ų | 168 | 86% | 0.861 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 130 | 169.4 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | R236 | V234-R236 PolarHBondContact O-N 3.22Š|
| 235 | R | 28.4 | Very low | 28.2 | Very low | 245 Ų | 245 | 167.1 Ų | 167.1 | 93% | 0.925 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 128.3 | -172.5 | -65 | 178 | 179.1 | 171.3 | -0.9 | 111.5 | P233 | P233-R235 PolarHBondContact O-N 2.78Š|
| 236 | R | 32 | Very low | 28 | Very low | 224 Ų | 224 | 164.6 Ų | 164.6 | 85% | 0.845 | 83% | 0.833 | S | S | * | * | trans | -106.5 | 136.4 | 157.1 | -72.7 | -175.4 | 174.9 | 176 | -0.6 | 109.1 | V234 | V234-R236 PolarHBondContact O-N 3.22Š| ||
| 237 | T | 27.8 | Very low | 28.1 | Very low | 140 Ų | 140 | 161.6 Ų | 161.6 | 86% | 0.859 | 83% | 0.833 | S | S | * | * | trans | -78.5 | 130.3 | 166.8 | 41 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 238 | P | 33.6 | Very low | 27.9 | Very low | 121 Ų | 121 | 162.8 Ų | 162.8 | 79% | 0.786 | 84% | 0.836 | S | S | * | * | trans | -88.1 | 143.6 | -178.2 | 33.5 | -33.6 | 0 | 0 | 0 | 112.4 | ||||
| 239 | L | 29.4 | Very low | 27.5 | Very low | 174 Ų | 174 | 159.2 Ų | 159.2 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | -121.6 | 150.3 | 156.6 | -77.4 | 174.9 | 0 | 0 | 0 | 109.3 | ||||
| 240 | L | 28.8 | Very low | 27.6 | Very low | 159 Ų | 159 | 161.5 Ų | 161.5 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -76.8 | 135.3 | -168.3 | -57 | 116.6 | 0 | 0 | 0 | 112.4 | ||||
| 241 | H | 27.9 | Very low | 27.7 | Very low | 171 Ų | 171 | 158.5 Ų | 158.5 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | -172.4 | 150.9 | 98.2 | -121.9 | 72 | 0 | 0 | 0 | 111.6 | |||||
| 242 | N | 25.9 | Very low | 27.7 | Very low | 153 Ų | 153 | 158.3 Ų | 158.3 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -155.4 | 94.8 | 168.2 | -157.8 | 2.6 | 0 | 0 | 0 | 111.1 | ||||
| 243 | F | 26.9 | Very low | 27.9 | Very low | 183 Ų | 183 | 152.9 Ų | 152.9 | 80% | 0.803 | 81% | 0.812 | S | S | * | * | trans | -157 | 111.3 | 169.7 | -114.8 | -73.2 | 0 | 0 | 0 | 110.9 | ||||
| 244 | L | 25.7 | Very low | 27.8 | Very low | 147 Ų | 147 | 154.2 Ų | 154.2 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | 168.7 | 113.6 | 123.2 | -92.8 | 168.5 | 0 | 0 | 0 | 110.5 | |||||
| 245 | H | 28.7 | Very low | 27.6 | Very low | 194 Ų | 194 | 155.8 Ų | 155.8 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -150 | 152.2 | 133.3 | -123 | -84.7 | 0 | 0 | 0 | 110 | ||||
| 246 | M | 24 | Very low | 27.5 | Very low | 149 Ų | 149 | 150.1 Ų | 150.1 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -82.3 | 147.7 | -159.2 | -65.2 | -168.7 | -66.6 | 0 | 0 | 115.4 | ||||
| 247 | L | 25.3 | Very low | 27.2 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | 25.8 | 126.9 | 131 | -53.3 | 167.2 | 0 | 0 | 0 | 117.8 | ||||
| 248 | S | 24 | Very low | 28.4 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | -172.3 | 140.1 | 90.8 | -165.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 249 | S | 25.4 | Very low | 27.9 | Very low | 96 Ų | 96 | 149.1 Ų | 149.1 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | 85.4 | 140.6 | 148.7 | 84.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 250 | R | 28.4 | Very low | 27.9 | Very low | 224 Ų | 224 | 149.2 Ų | 149.2 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | 81.6 | 79.1 | 154.1 | -68.1 | 168.1 | -174.2 | -115.2 | -4.3 | 120 | ||||
| 251 | S | 26.2 | Very low | 28.8 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | 59.2 | 119.6 | 118 | 58.9 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 252 | S | 27.6 | Very low | 29.8 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -92.1 | 162.1 | 173 | 49.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 253 | G | 26.8 | Very low | 29.9 | Very low | 69 Ų | 69 | 143.7 Ų | 143.7 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 169.2 | 86.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 254 | I | 30 | Very low | 29.9 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | 81.8 | 103.6 | 67.1 | -63.2 | 167.3 | 0 | 0 | 0 | 112.6 | |||||
| 255 | Q | 26.6 | Very low | 29.8 | Very low | 175 Ų | 175 | 140 Ų | 140 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 158.2 | 109.8 | 145.7 | -90.1 | -179.2 | -5.8 | 0 | 0 | 108.4 | ||||
| 256 | T | 26.2 | Very low | 29.6 | Very low | 126 Ų | 126 | 136 Ų | 136 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | 86.2 | 106.7 | 70.9 | 56.8 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 257 | E | 26.9 | Very low | 29.6 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | -23.4 | 173.3 | 143.4 | -68.3 | -65.4 | 158.9 | 0 | 0 | 118.4 | ||||
| 258 | P | 52.2 | Low | 29.6 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | cis | -134.8 | -174.9 | -10.8 | 29.8 | -7.8 | 0 | 0 | 0 | 114.7 | ||||
| 259 | F | 24 | Very low | 29.7 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | 178.1 | 168.5 | 121.3 | -112.4 | -92.8 | 0 | 0 | 0 | 114.6 | |||||
| 260 | H | 27.6 | Very low | 29.7 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | -100.8 | -153.6 | -174.6 | -76.7 | -67.7 | 0 | 0 | 0 | 114.3 | ||||
| 261 | P | 48.4 | Very low | 29.5 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | -117 | -146.1 | -100.8 | 43.2 | -24 | 0 | 0 | 0 | 111 | |||||
| 262 | P | 49.8 | Very low | 29.5 | Very low | 100 Ų | 100 | 140 Ų | 140 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | cis | -135.8 | -155.7 | -12.8 | 41.8 | -20.5 | 0 | 0 | 0 | 114.6 | ||||
| 263 | E | 26.4 | Very low | 29.6 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | 74.2 | 129.7 | 157.5 | -75.7 | 173.1 | 166.7 | 0 | 0 | 118.7 | ||||
| 264 | Q | 26.9 | Very low | 29.6 | Very low | 175 Ų | 175 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | 66 | 140.5 | 70 | -65.1 | -170.5 | 53.6 | 0 | 0 | 114.4 | |||||
| 265 | A | 24.1 | Very low | 29.5 | Very low | 76 Ų | 76 | 142 Ų | 142 | 63% | 0.628 | 77% | 0.774 | S | S | * | * | cis | -166.8 | 156.2 | -23.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 266 | S | 24.1 | Very low | 29.6 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | 61.8 | 145.3 | 154.7 | 54 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 267 | S | 24.2 | Very low | 29.6 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 61.4 | 104 | 149.7 | 51.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 268 | T | 25.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | -71.3 | 150.2 | 155.6 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 269 | Q | 27.6 | Very low | 29 | Very low | 180 Ų | 180 | 143 Ų | 143 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | -159.5 | 166.3 | 146.7 | -127.3 | -176.1 | 30.5 | 0 | 0 | 114.4 | ||||
| 270 | Q | 24.8 | Very low | 29.2 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | 77 | 105.2 | 168.7 | -65.8 | 177.9 | -1.6 | 0 | 0 | 119.3 | ||||
| 271 | D | 24.8 | Very low | 29.2 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | 44.8 | 135.7 | 128.7 | -49.4 | -22.2 | 0 | 0 | 0 | 120.3 | |||||
| 272 | Q | 25.5 | Very low | 28 | Very low | 197 Ų | 197 | 137.4 Ų | 137.4 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | cis | -150 | 163.2 | 36.7 | -66.8 | 174.6 | -4.6 | 0 | 0 | 113.3 | ||||
| 273 | G | 30.6 | Very low | 26.8 | Very low | 66 Ų | 66 | 138.9 Ų | 138.9 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | trans | 99 | 103.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 274 | L | 26.7 | Very low | 27 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | cis | 61.6 | 115.1 | 46.2 | -58.5 | 176 | 0 | 0 | 0 | 111.9 | ||||
| 275 | L | 27.6 | Very low | 26.8 | Very low | 148 Ų | 148 | 138 Ų | 138 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | cis | -149 | 172.7 | 19.8 | -99.7 | 155 | 0 | 0 | 0 | 114 | ||||
| 276 | N | 27.4 | Very low | 26.7 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 78.1 | 67.7 | 163.4 | -63.1 | -6.2 | 0 | 0 | 0 | 121.6 | ||||
| 277 | R | 26.8 | Very low | 26.8 | Very low | 236 Ų | 236 | 138.9 Ų | 138.9 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | 22.9 | 155.6 | 100.1 | -116.3 | -162.6 | 168.7 | 173 | -2.4 | 119.3 | |||||
| 278 | P | 40.3 | Very low | 26.9 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | -143.4 | -167 | -58.9 | 42.6 | -24.1 | 0 | 0 | 0 | 114.9 | |||||
| 279 | S | 27.4 | Very low | 27.1 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 77.1 | 101.3 | 142.4 | -157 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 280 | A | 27.6 | Very low | 27 | Very low | 78 Ų | 78 | 133 Ų | 133 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | 21.4 | 140.1 | 108.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 281 | F | 26.6 | Very low | 27.2 | Very low | 193 Ų | 193 | 132.7 Ų | 132.7 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | 68 | 128.3 | 145 | -87.5 | -79.7 | 0 | 0 | 0 | 123.3 | ||||
| 282 | S | 24.4 | Very low | 27.4 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 66.4 | 158.8 | 148.8 | -67.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 283 | T | 24.9 | Very low | 27.6 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | cis | -144.4 | 163.1 | 0.8 | -15 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 284 | V | 29.6 | Very low | 27.5 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -36.3 | 134.1 | 161.5 | 174.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 285 | Q | 22.7 | Very low | 27.5 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -156.1 | 151.9 | 133.1 | -112.9 | 169.1 | 30 | 0 | 0 | 113.9 | ||||
| 286 | S | 22.5 | Very low | 27.5 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -24.2 | 162.4 | 160.6 | -41.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 287 | S | 25 | Very low | 27.3 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | cis | -163 | 162.4 | 31.7 | 58.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 288 | T | 26.3 | Very low | 27.4 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 29.3 | 140.4 | 143.7 | 56.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 289 | A | 30.1 | Very low | 26.7 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | 71.6 | 151 | 159 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 290 | G | 25.2 | Very low | 27.8 | Very low | 69 Ų | 69 | 129.9 Ų | 129.9 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | cis | 153.6 | 133 | -11.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 291 | N | 29 | Very low | 27.8 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | 34 | 104.6 | 155.4 | -75.2 | -4.5 | 0 | 0 | 0 | 117.7 | ||||
| 292 | T | 29.4 | Very low | 28 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | 163 | 177.1 | 78.8 | 40.1 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 293 | L | 29 | Very low | 28.4 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | cis | -144.9 | -175.5 | 29.6 | -93.3 | 175.7 | 0 | 0 | 0 | 112.5 | ||||
| 294 | R | 29.9 | Very low | 28.5 | Very low | 218 Ų | 218 | 134.9 Ų | 134.9 | 82% | 0.823 | 77% | 0.771 | S | S | * | * | trans | -91.5 | 173 | -177.7 | -60 | 178.2 | 169.3 | 174.3 | -5.3 | 114.4 | ||||
| 295 | N | 25.2 | Very low | 28.6 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | 96 | 157.4 | 137.1 | -82.1 | -1.2 | 0 | 0 | 0 | 120.3 | ||||
| 296 | L | 27.7 | Very low | 28.8 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 75.5 | 116.5 | -179 | -50.7 | -179.6 | 0 | 0 | 0 | 113.3 | ||||
| 297 | S | 23.7 | Very low | 29 | Very low | 99 Ų | 99 | 130.7 Ų | 130.7 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | cis | 91.3 | 131.3 | 44.6 | -68.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 298 | L | 28.8 | Very low | 30 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | 64.9 | 119.5 | 162.8 | -63.1 | 161.6 | 0 | 0 | 0 | 117.9 | ||||
| 299 | G | 26.5 | Very low | 30.1 | Very low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | trans | -86.7 | -158.6 | 141.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 300 | P | 49.1 | Very low | 29.9 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | cis | -139.2 | -145.6 | 3.9 | 43 | -23 | 0 | 0 | 0 | 112.8 | ||||
| 301 | T | 28.7 | Very low | 29.8 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | 77.7 | 146.6 | 179.5 | 81.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 302 | R | 30.2 | Very low | 29.7 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | cis | -136.8 | 174.2 | 25.5 | -72.1 | -174.4 | 169.3 | -150.6 | 2.3 | 111.3 | ||||
| 303 | R | 32.1 | Very low | 30.2 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | cis | -168.1 | 130.3 | -23.6 | -98.3 | -178.7 | -173.2 | -163.4 | -1.2 | 104.2 | ||||
| 304 | S | 28.6 | Very low | 30 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | 84 | 106.2 | 59.8 | 83 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 305 | L | 30.8 | Very low | 29.9 | Very low | 181 Ų | 181 | 133.1 Ų | 133.1 | 95% | 0.948 | 78% | 0.775 | S | S | * | * | trans | -174.7 | 140.1 | 155.4 | -98 | 162.1 | 0 | 0 | 0 | 106 | ||||
| 306 | G | 26.4 | Very low | 29.9 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | cis | 139 | 112.2 | -11.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 307 | G | 27.8 | Very low | 29.7 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | trans | 155.1 | 129.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 308 | P | 46.4 | Very low | 29.8 | Very low | 116 Ų | 116 | 142 Ų | 142 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -137 | -170.6 | -170.7 | 35.3 | -12.8 | 0 | 0 | 0 | 116.9 | ||||
| 309 | L | 26.6 | Very low | 29.5 | Very low | 159 Ų | 159 | 140.4 Ų | 140.4 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | 83.9 | 126.5 | 158.4 | -55.6 | 170.4 | 0 | 0 | 0 | 120.9 | ||||
| 310 | S | 26.8 | Very low | 29.5 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | 168.9 | 176.9 | 117.2 | 49.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 311 | S | 24.2 | Very low | 28.4 | Very low | 96 Ų | 96 | 143 Ų | 143 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | -153.9 | 159.2 | -163.1 | 56.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 312 | H | 25.5 | Very low | 28.9 | Very low | 178 Ų | 178 | 143 Ų | 143 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | 64.6 | 166 | 166.8 | -63.1 | -63.4 | 0 | 0 | 0 | 118 | ||||
| 313 | P | 40 | Very low | 28.6 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | cis | -109 | -149.9 | -17 | 33 | -13 | 0 | 0 | 0 | 109.9 | ||||
| 314 | S | 25.6 | Very low | 28.4 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | cis | -153 | -158.6 | 3.7 | 94.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 315 | R | 26.3 | Very low | 28.3 | Very low | 201 Ų | 201 | 138.5 Ų | 138.5 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | trans | -75.2 | 153.3 | -178.6 | -58.9 | 165.2 | 176.8 | 170.3 | -1.1 | 113.9 | ||||
| 316 | Y | 26.6 | Very low | 28.2 | Very low | 220 Ų | 220 | 132.9 Ų | 132.9 | 86% | 0.863 | 78% | 0.776 | S | S | * | * | -167.1 | -177.8 | 98.7 | -104.3 | -66.8 | 0 | 0 | 0 | 112.5 | |||||
| 317 | H | 24.1 | Very low | 28.4 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -128.6 | 167.6 | -160.8 | -163.5 | -59.2 | 0 | 0 | 0 | 109.8 | ||||
| 318 | R | 24.3 | Very low | 28.4 | Very low | 200 Ų | 200 | 138.2 Ų | 138.2 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | 87.7 | 116.8 | 161 | -136.8 | 159.2 | -161.7 | 172.8 | 7.3 | 113.9 | ||||
| 319 | E | 23.3 | Very low | 27.6 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | cis | 88.4 | 153.6 | 49.5 | 179.6 | -165.4 | -105.6 | 0 | 0 | 112 | ||||
| 320 | I | 25.8 | Very low | 27.8 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 83.3 | 126.6 | 179.1 | -49 | -178.6 | 0 | 0 | 0 | 116.3 | ||||
| 321 | A | 26.9 | Very low | 27.9 | Very low | 86 Ų | 86 | 140.3 Ų | 140.3 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | -110 | 158.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 322 | P | 37.9 | Very low | 28.1 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | -155.9 | -175.8 | 69 | 42.3 | -21.6 | 0 | 0 | 0 | 116.6 | |||||
| 323 | G | 24.1 | Very low | 28.3 | Very low | 65 Ų | 65 | 138.2 Ų | 138.2 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | 75.4 | 110.2 | 123.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 324 | L | 29.3 | Very low | 27.7 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 90% | 0.895 | 74% | 0.742 | S | S | * | * | trans | 56.7 | 120.1 | 134.5 | -66.3 | 167.1 | 0 | 0 | 0 | 121.4 | ||||
| 325 | T | 26.4 | Very low | 27.7 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 92% | 0.92 | 74% | 0.737 | S | S | * | * | -176.7 | 152.9 | 128.4 | 17 | 0 | 0 | 0 | 0 | 109 | |||||
| 326 | G | 27.3 | Very low | 27.6 | Very low | 64 Ų | 64 | 135.6 Ų | 135.6 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | cis | 135.7 | 150.5 | -2.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 327 | S | 31.4 | Very low | 27.6 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | 66.1 | 146.4 | 176 | -74.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 328 | E | 27.4 | Very low | 27.5 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | cis | -143.8 | 168.6 | -20.3 | -69.9 | -130 | 104.9 | 0 | 0 | 106.1 | ||||
| 329 | W | 29 | Very low | 27.5 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 62% | 0.617 | 73% | 0.731 | S | S | * | * | cis | -150.4 | -169.1 | 2.9 | -128.8 | 14.8 | 0 | 0 | 0 | 107.5 | ||||
| 330 | T | 31.1 | Very low | 27.6 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | cis | -146.6 | 140.8 | 8.9 | -15.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 331 | R | 28.6 | Very low | 27.6 | Very low | 183 Ų | 183 | 129.6 Ų | 129.6 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | trans | 27.3 | 149.2 | 133.1 | -63.2 | -175.5 | -175.6 | -165.1 | 0.7 | 121.4 | ||||
| 332 | T | 29.6 | Very low | 27.6 | Very low | 117 Ų | 117 | 130 Ų | 130 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | cis | -174.9 | 166.5 | -7 | 29.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 333 | V | 29.9 | Very low | 27 | Very low | 112 Ų | 112 | 133 Ų | 133 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | cis | -177.2 | 149.9 | -38.6 | 78.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 334 | L | 27.1 | Very low | 27.1 | Very low | 153 Ų | 153 | 136 Ų | 136 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | 66.7 | 164 | 164.5 | -58.8 | -177.2 | 0 | 0 | 0 | 117.6 | ||||
| 335 | S | 25.7 | Very low | 27 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -151.6 | 139.8 | 4.3 | 117.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 336 | L | 24 | Very low | 27.8 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | 50.1 | 144.8 | 139.4 | -75.5 | 83.1 | 0 | 0 | 0 | 124.6 | ||||
| 337 | N | 25.4 | Very low | 28.2 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 92.6 | 107.9 | 136.1 | -77.8 | -2 | 0 | 0 | 0 | 124.1 | ||||
| 338 | S | 23.3 | Very low | 28.4 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | 77.8 | 127 | 117.2 | 75.5 | 0 | 0 | 0 | 0 | 124 | |||||
| 339 | R | 24.2 | Very low | 28.5 | Very low | 233 Ų | 233 | 141.1 Ų | 141.1 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | trans | 86.5 | 139.3 | 131.9 | -97.5 | -174.8 | 173.4 | -174 | -3.1 | 122.4 | ||||
| 340 | S | 26.2 | Very low | 28.4 | Very low | 89 Ų | 89 | 139 Ų | 139 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | trans | 59 | 111 | 145.1 | 55.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 341 | E | 25.6 | Very low | 28.3 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | 66.7 | 108.7 | 120.6 | -66.2 | 171.8 | 127.9 | 0 | 0 | 122.4 | |||||
| 342 | A | 26.8 | Very low | 28.3 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | 94.3 | 148.9 | 118 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 343 | E | 24.2 | Very low | 28.3 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | 77.3 | 141.7 | 160.3 | -58.4 | -146.4 | 118.8 | 0 | 0 | 123.8 | ||||
| 344 | S | 25.6 | Very low | 28.4 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 88% | 0.881 | 77% | 0.769 | S | S | * | * | trans | 91.9 | 141.2 | 154.5 | 76.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 345 | M | 27.9 | Very low | 28.5 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | -89.1 | -176.3 | 178.4 | -83.3 | -171.7 | -179.9 | 0 | 0 | 112.2 | ||||
| 346 | P | 43.9 | Very low | 28.6 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | cis | -123.7 | -153.3 | -22.3 | 27.6 | -4.7 | 0 | 0 | 0 | 110.7 | ||||
| 347 | P | 35.3 | Very low | 28.8 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | -143.9 | 166.8 | 104.2 | 39.5 | -26.6 | 0 | 0 | 0 | 116.2 | |||||
| 348 | P | 36.6 | Very low | 29 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -106.9 | -164.4 | -179.6 | 42.7 | -36.7 | 0 | 0 | 0 | 115.1 | ||||
| 349 | R | 28.3 | Very low | 29.2 | Very low | 228 Ų | 228 | 134.5 Ų | 134.5 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -58.7 | 170 | 175.7 | -58.2 | 168.8 | 173.1 | 168.2 | -4.8 | 113.4 | ||||
| 350 | T | 27.9 | Very low | 29.3 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | -178.9 | 167.5 | 67.4 | 44 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 351 | S | 28.8 | Very low | 29.2 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 67.7 | 157.8 | 147.4 | 56 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 352 | A | 28.8 | Very low | 29.2 | Very low | 81 Ų | 81 | 132.2 Ų | 132.2 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | cis | -146 | 153.2 | -3.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 353 | S | 29.3 | Very low | 29.1 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | 65.6 | 149.8 | 63.1 | 106 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 354 | S | 31.8 | Very low | 29 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | cis | -153.5 | -159.6 | -4.3 | 21.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 355 | V | 28.8 | Very low | 28.9 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | cis | -155.5 | 141.1 | 18.1 | -171.6 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 356 | S | 27.9 | Very low | 28.8 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | 77.1 | 153 | 50.3 | -35.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 357 | L | 28.7 | Very low | 27.9 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | cis | -116.1 | -126 | 3.7 | -63.8 | 154.4 | 0 | 0 | 0 | 110.8 | ||||
| 358 | L | 29.2 | Very low | 27.5 | Very low | 159 Ų | 159 | 128 Ų | 128 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | cis | -169.8 | 169.2 | -12.6 | -117.1 | 170.8 | 0 | 0 | 0 | 103.8 | ||||
| 359 | S | 26.5 | Very low | 27 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | cis | -172.2 | 166.2 | -10.5 | 103.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 360 | V | 26.8 | Very low | 26.8 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | cis | -176 | 151.2 | -26.8 | 74.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 361 | L | 25.1 | Very low | 26.7 | Very low | 148 Ų | 148 | 123.6 Ų | 123.6 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | 67.9 | 153.1 | 172.2 | -58.3 | 176 | 0 | 0 | 0 | 117.4 | ||||
| 362 | R | 24.7 | Very low | 26.5 | Very low | 195 Ų | 195 | 124 Ų | 124 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | cis | -166.6 | 155.2 | 11.7 | -134.1 | 171.3 | -170.1 | -147.3 | 14.2 | 112.3 | ||||
| 363 | Q | 25.2 | Very low | 26.2 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 65% | 0.654 | 75% | 0.753 | S | S | * | * | trans | 63.8 | 157.5 | 153 | -77.8 | 170.6 | -77.4 | 0 | 0 | 119 | ||||
| 364 | Q | 23 | Very low | 26.1 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 62% | 0.621 | 75% | 0.752 | S | S | * | * | cis | -167.8 | 165 | -12.7 | 167.5 | 169.6 | -39.2 | 0 | 0 | 111.1 | ||||
| 365 | E | 23.4 | Very low | 25.8 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | 68.5 | 154.9 | 176.4 | -78.4 | 138.1 | -134.9 | 0 | 0 | 117 | ||||
| 366 | G | 24.9 | Very low | 25.8 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 81% | 0.814 | 76% | 0.756 | S | S | * | * | cis | 111 | 128.7 | 8.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 367 | G | 24.4 | Very low | 25.8 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | cis | 175.3 | 170.6 | -7.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 368 | S | 28 | Very low | 25.7 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 95% | 0.951 | 77% | 0.765 | S | S | * | * | trans | 71.5 | 170.5 | 164.7 | -67.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 369 | Q | 25.2 | Very low | 25.5 | Very low | 185 Ų | 185 | 128.6 Ų | 128.6 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -104.6 | 179 | -158.2 | -55.3 | 173.5 | -22.9 | 0 | 0 | 115 | ||||
| 370 | A | 24.8 | Very low | 25.5 | Very low | 82 Ų | 82 | 136.5 Ų | 136.5 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | 95.9 | 109.5 | 136.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 371 | S | 25.9 | Very low | 25.4 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | 62.2 | 108.4 | 112.4 | -52.2 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 372 | V | 25.2 | Very low | 25.7 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | 52.5 | 122.8 | 132 | -153.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 373 | Y | 22.3 | Very low | 26.4 | Very low | 200 Ų | 200 | 133.7 Ų | 133.7 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | 171.9 | 132.6 | 114.2 | -115.6 | -93.1 | 0 | 0 | 0 | 116.5 | |||||
| 374 | T | 25.7 | Very low | 26.6 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 58.2 | 165.7 | 153.6 | 34.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 375 | S | 26.3 | Very low | 26.9 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | cis | -154 | -178.6 | -6.5 | 32.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 376 | A | 28.4 | Very low | 27 | Very low | 82 Ų | 82 | 126.3 Ų | 126.3 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | trans | -100.7 | -175.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 377 | T | 27.5 | Very low | 27.1 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | 69.9 | 150.1 | 173.7 | 65.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 378 | E | 27.1 | Very low | 27.1 | Very low | 192 Ų | 192 | 131.1 Ų | 131.1 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | cis | -157.1 | 171.3 | 2.9 | -137.2 | 177.3 | -142.9 | 0 | 0 | 110.4 | ||||
| 379 | G | 25.9 | Very low | 27 | Very low | 78 Ų | 78 | 130.3 Ų | 130.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 148.4 | 134.4 | 164 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 380 | R | 26.3 | Very low | 27.1 | Very low | 261 Ų | 261 | 130.5 Ų | 130.5 | 99% | 0.985 | 79% | 0.794 | S | S | * | * | trans | -100.4 | 160.5 | -171 | -55.4 | 173.6 | 177.6 | -151.8 | -0.5 | 115 | ||||
| 381 | G | 23.9 | Very low | 27.3 | Very low | 71 Ų | 71 | 131.3 Ų | 131.3 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | 170.7 | 115.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 382 | F | 32.8 | Very low | 27.3 | Very low | 209 Ų | 209 | 134.4 Ų | 134.4 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -146.7 | 150.1 | 169.4 | -83.5 | -67.2 | 0 | 0 | 0 | 109.6 | ||||
| 383 | P | 38.7 | Very low | 27.4 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | -129.2 | 162.2 | 92.7 | 7.1 | 16.6 | 0 | 0 | 0 | 112.9 | |||||
| 384 | A | 29.2 | Very low | 27.6 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 76.6 | 148.2 | 50.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 385 | S | 29.9 | Very low | 27.6 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | cis | -163.3 | -175.6 | 11.4 | -160.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 386 | G | 25.4 | Very low | 27.6 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | 116.4 | 118.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 387 | L | 26.4 | Very low | 27.6 | Very low | 165 Ų | 165 | 128.2 Ų | 128.2 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | cis | 89.9 | 101.7 | 14.6 | -72 | 170.6 | 0 | 0 | 0 | 119.4 | ||||
| 388 | A | 25.2 | Very low | 27.8 | Very low | 88 Ų | 88 | 127.3 Ų | 127.3 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -162.6 | 149.4 | 148 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 389 | T | 25.3 | Very low | 27.9 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | cis | 108.4 | 134 | 1 | 68.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 390 | E | 27.6 | Very low | 27.9 | Very low | 189 Ų | 189 | 131.2 Ų | 131.2 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | 70.2 | 146.6 | 165.5 | -62.5 | -177.3 | 168 | 0 | 0 | 118.6 | ||||
| 391 | S | 28.8 | Very low | 27.8 | Very low | 98 Ų | 98 | 126 Ų | 126 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | cis | -168.3 | 145.4 | -17.7 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 392 | D | 26.1 | Very low | 27.9 | Very low | 174 Ų | 174 | 128.3 Ų | 128.3 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | 51.3 | 151.9 | 158.9 | -84.5 | -22 | 0 | 0 | 0 | 123 | ||||
| 393 | G | 26.9 | Very low | 27.7 | Very low | 78 Ų | 78 | 121.9 Ų | 121.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 156.7 | 4.6 | 154 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 394 | G | 26.2 | Very low | 27 | Very low | 76 Ų | 76 | 120.9 Ų | 120.9 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 92.4 | 125.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 395 | N | 25.9 | Very low | 27 | Very low | 179 Ų | 179 | 123.7 Ų | 123.7 | 96% | 0.957 | 80% | 0.802 | S | S | * | * | trans | 47.4 | 116.3 | 154.5 | -76.4 | 0.5 | 0 | 0 | 0 | 122.6 | ||||
| 396 | G | 26.2 | Very low | 26.8 | Very low | 69 Ų | 69 | 127.2 Ų | 127.2 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 169.2 | 102.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 397 | S | 28.2 | Very low | 26.9 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | 45.3 | 111.7 | 156.9 | 60.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 398 | S | 30.9 | Very low | 26.9 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | 25.2 | 107 | 137.1 | 60.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 399 | Q | 29.5 | Very low | 27.1 | Very low | 177 Ų | 177 | 135.6 Ų | 135.6 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -136.6 | 121.3 | 147.1 | -70.6 | -166.6 | 1 | 0 | 0 | 110.4 | ||||
| 400 | N | 25.7 | Very low | 27.2 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | trans | -93.7 | 108.4 | 167.3 | -96.5 | -9.2 | 0 | 0 | 0 | 108.7 | ||||
| 401 | N | 26 | Very low | 27.8 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -143.8 | 108.7 | 168.7 | -115.5 | -21.5 | 0 | 0 | 0 | 109.2 | ||||
| 402 | S | 25.5 | Very low | 28.6 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -137.8 | 89 | 169.1 | 48.9 | 0 | 0 | 0 | 0 | 109.3 | S404 | S402-S404 PolarHBondContact O-N 3.38Š| ||
| 403 | G | 28.3 | Very low | 30.7 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | -67.8 | 102.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I405 | G403-I405 PolarHBondContact O-N 2.97Å; G403-I405 VanDerWaalsContact O-N 3.1Å | ||
| 404 | S | 24.3 | Very low | 32.2 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | trans | -76.4 | 95.4 | 170.5 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | S402 R406 | S402-S404 PolarHBondContact O-N 3.38Å; S404-R406 PolarHBondContact O-N 3.22Å | ||
| 405 | I | 28.8 | Very low | 33.7 | Very low | 153 Ų | 153 | 129.6 Ų | 129.6 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | -65 | 101.3 | 167.4 | -60.8 | 173.9 | 0 | 0 | 0 | 107.2 | G403 | G403-I405 PolarHBondContact O-N 2.97Å; G403-I405 VanDerWaalsContact O-N 3.1Å | ||
| 406 | R | 26.8 | Very low | 35.3 | Very low | 193 Ų | 193 | 122.6 Ų | 122.6 | 73% | 0.728 | 67% | 0.667 | S | S | * | * | trans | -91.4 | 122.8 | 166.7 | -70.4 | -172.3 | 173.4 | -163.2 | -2.4 | 108.7 | S404 E408 | S404-R406 PolarHBondContact O-N 3.22Å; R406-E408 HydrophobicContact CB-CG 4.28Å; R406-E408 PolarHBondContact O-N 3.01Å | ||
| 407 | H | 27.3 | Very low | 37 | Very low | 181 Ų | 181 | 120.1 Ų | 120.1 | 84% | 0.838 | 64% | 0.637 | S | S | * | * | trans | -72.5 | 80.9 | 160 | -79.2 | -81.1 | 0 | 0 | 0 | 108.6 | L409 | H407-L409 PolarHBondContact O-N 2.89Š| ||
| 408 | E | 25.3 | Very low | 38.4 | Very low | 161 Ų | 161 | 120 Ų | 120 | 75% | 0.752 | 63% | 0.627 | S | S | * | * | trans | -70.5 | 107 | 163.6 | -71.7 | -172.2 | 150.1 | 0 | 0 | 108.1 | R406 Q410 | R406-E408 HydrophobicContact CB-CG 4.28Å; R406-E408 PolarHBondContact O-N 3.01Å; E408-Q410 PolarHBondContact O-N 2.89Å | ||
| 409 | L | 28.8 | Very low | 39.3 | Very low | 159 Ų | 159 | 120.9 Ų | 120.9 | 83% | 0.832 | 62% | 0.619 | S | S | * | * | trans | -69.2 | 89.8 | 165.7 | -76.2 | 169.2 | 0 | 0 | 0 | 107.5 | H407 C411 | H407-L409 PolarHBondContact O-N 2.89Å; L409-C411 PolarHBondContact O-N 3.1Å; L409-C411 VanDerWaalsContact O-N 3.12Å | ||
| 410 | Q | 28.1 | Very low | 40.3 | Very low | 151 Ų | 151 | 116 Ų | 116 | 71% | 0.706 | 59% | 0.593 | S | S | * | * | trans | -53.6 | 117.2 | 174.3 | -167.3 | 172.5 | 26.9 | 0 | 0 | 108.8 | E408 D412 | E408-Q410 PolarHBondContact O-N 2.89Å; Q410-D412 VanDerWaalsContact C-N 3.27Å; Q410-D412 PolarHBondContact O-N 2.92Å | ||
| 411 | C | 39.8 | Very low | 41 | Very low | 87 Ų | 87 | 111.6 Ų | 111.6 | 59% | 0.588 | 57% | 0.569 | S | S | * | * | trans | -73.8 | 79.9 | -174.7 | -68.1 | 0 | 0 | 0 | 0 | 110.9 | L409 L413 L753 | L409-C411 PolarHBondContact O-N 3.1Å; L409-C411 VanDerWaalsContact O-N 3.12Å; C411-L413 PolarHBondContact O-N 3.33Å; C411-L413 VanDerWaalsContact O-N 3.09Å; C411-L753 HydrophobicContact CB-CD1 4.11Å | ||
| 412 | D | 47.2 | Very low | 41.5 | Very low | 61 Ų | 61 | 113.2 Ų | 113.2 | 33% | 0.326 | 56% | 0.564 | S | S | . | * | trans | -65.1 | 102.8 | 174.9 | -175.1 | -8.5 | 0 | 0 | 0 | 110.3 | Q410 R414 R415 | Q410-D412 VanDerWaalsContact C-N 3.27Å; Q410-D412 PolarHBondContact O-N 2.92Å; D412-R414 PolarHBondContact O-N 2.7Å; D412-R414 VanDerWaalsContact O-N 3.17Å; D412-R414 WeakPolarHBondContact OD1-CB 3.38Å; D412-R414 VanDerWaalsContact OD1-CD 3.22Å; D412-R414 WeakPolarHBondContact OD1-CD 3.34Å; D412-R414 WeakPolarHBondContact OD1-CG 3.47Å; D412-R414 IonicContact OD1-CZ 2.78Å; D412-R414 PolarHBondContact OD1-N 2.87Å; D412-R414 IonicContact OD1-NE 3.99Å; D412-R414 PolarHBondContact OD1-NE 3.44Å; D412-R414 IonicContact OD1-NH1 3.64Å; D412-R414 IonicContact OD2-CZ 3.18Å; D412-R414 IonicContact OD2-NE 2.76Å; D412-R414 IonicContact OD2-NH1 2.81Å; D412-R414 PolarHBondContact OD2-NH1 3.03Å; D412-R415 PolarHBondContact O-N 3.1Å | ||
| 413 | L | 69.9 | Low | 42.3 | Very low | 12 Ų | 12 | 112.9 Ų | 112.9 | 6% | 0.063 | 55% | 0.553 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -66.6 | -12.9 | -179.2 | -56.7 | -172.2 | 0 | 0 | 0 | 112.8 | F162 F171 C411 R415 F416 F417 F751 L753 | F162-L413 HydrophobicContact CD1-CD1 4.34Å; F171-L413 HydrophobicContact CD2-CD2 4.47Å; F171-L413 HydrophobicContact CE2-CD1 4.09Å; F171-L413 HydrophobicContact CE2-CD2 3.85Å; F171-L413 HydrophobicContact CZ-CD1 4.5Å; C411-L413 PolarHBondContact O-N 3.33Å; C411-L413 VanDerWaalsContact O-N 3.09Å; L413-R415 PolarHBondContact O-N 3.05Å; L413-R415 VanDerWaalsContact O-N 3.13Å; L413-F416 WeakPolarHBondContact O-CB 3.29Å; L413-F416 PolarHBondContact O-N 2.92Å; L413-F417 HydrophobicContact CB-CD2 4.09Å; L413-F417 HydrophobicContact CB-CE2 3.78Å; L413-F417 HydrophobicContact CD1-CE2 4.36Å; L413-F417 WeakPolarHBondContact O-CD2 3.04Å; L413-F417 PolarHBondContact O-N 3.09Å; L413-F417 VanDerWaalsContact O-N 3.1Å; L413-F751 HydrophobicContact CB-CB 4Å; L413-F751 WeakPolarHBondContact CB-O 3.21Å; L413-F751 WeakPolarHBondContact CD1-O 3.47Å; L413-F751 WeakPolarHBondContact CG-O 3.38Å; L413-L753 HydrophobicContact CD1-CD2 3.91Å; L413-L753 HydrophobicContact CG-CD2 4.36Å; L413-L753 HydrophobicContact CG-CG 4.49Å |
| 414 | R | 58.3 | Low | 42.8 | Very low | 91 Ų | 91 | 113.8 Ų | 113.8 | 34% | 0.343 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.6 | -27.3 | 177.6 | -59.7 | 166.5 | -143.7 | 142.2 | -6.2 | 112.1 | D412 F417 L418 K750 D752 | D412-R414 PolarHBondContact O-N 2.7Å; D412-R414 VanDerWaalsContact O-N 3.17Å; D412-R414 WeakPolarHBondContact OD1-CB 3.38Å; D412-R414 VanDerWaalsContact OD1-CD 3.22Å; D412-R414 WeakPolarHBondContact OD1-CD 3.34Å; D412-R414 WeakPolarHBondContact OD1-CG 3.47Å; D412-R414 IonicContact OD1-CZ 2.78Å; D412-R414 PolarHBondContact OD1-N 2.87Å; D412-R414 IonicContact OD1-NE 3.99Å; D412-R414 PolarHBondContact OD1-NE 3.44Å; D412-R414 IonicContact OD1-NH1 3.64Å; D412-R414 IonicContact OD2-CZ 3.18Å; D412-R414 IonicContact OD2-NE 2.76Å; D412-R414 IonicContact OD2-NH1 2.81Å; D412-R414 PolarHBondContact OD2-NH1 3.03Å; R414-F417 PolarHBondContact O-N 3.32Å; R414-L418 VanDerWaalsContact O-CB 3.24Å; R414-L418 WeakPolarHBondContact O-CB 3.37Å; R414-L418 WeakPolarHBondContact O-CD1 3.32Å; R414-L418 WeakPolarHBondContact O-CG 2.99Å; R414-L418 PolarHBondContact O-N 2.83Å; R414-K750 WeakPolarHBondContact CG-O 3.35Å; R414-K750 PolarHBondContact NE-O 3.49Å; R414-D752 IonicContact CZ-OD1 3.24Å; R414-D752 IonicContact NE-OD1 3.49Å; R414-D752 VanDerWaalsContact NH2-CG 3.3Å; R414-D752 IonicContact NH2-OD1 3.02Å; R414-D752 PolarHBondContact NH2-OD1 3.02Å; R414-D752 IonicContact NH2-OD2 3.72Å; R414-D752 PolarHBondContact NH2-OD2 2.98Å; R414-D752 VanDerWaalsContact NH2-OD2 3.14Å |
| 415 | R | 56.9 | Low | 43.3 | Very low | 206 Ų | 206 | 115.6 Ų | 115.6 | 78% | 0.777 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.4 | -40.5 | 172.9 | -75.6 | -171.5 | 178 | 172.3 | 1.4 | 112.8 | D412 L413 E419 | D412-R415 PolarHBondContact O-N 3.1Å; L413-R415 PolarHBondContact O-N 3.05Å; L413-R415 VanDerWaalsContact O-N 3.13Å; R415-E419 WeakPolarHBondContact O-CB 3.3Å; R415-E419 PolarHBondContact O-N 2.98Å; R415-E419 VanDerWaalsContact O-N 3.13Å |
| 416 | F | 59.3 | Low | 43.6 | Very low | 32 Ų | 32 | 113.5 Ų | 113.5 | 14% | 0.14 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -65.8 | -43 | 175.3 | 164.9 | -111.6 | 0 | 0 | 0 | 111 | D164 R167 F171 L413 E419 Y420 | D164-F416 HydrophobicContact CB-CZ 4.06Å; R167-F416 VanDerWaalsContact NH2-CE2 3.26Å; F171-F416 HydrophobicContact CE1-CE1 4.14Å; F171-F416 HydrophobicContact CE1-CZ 4.46Å; F171-F416 HydrophobicContact CZ-CD1 4.41Å; F171-F416 HydrophobicContact CZ-CE1 4.13Å; L413-F416 WeakPolarHBondContact O-CB 3.29Å; L413-F416 PolarHBondContact O-N 2.92Å; F416-E419 PolarHBondContact O-N 2.88Å; F416-Y420 PolarHBondContact O-N 2.85Å |
| 417 | F | 62.5 | Low | 43.9 | Very low | 18 Ų | 18 | 110.1 Ų | 110.1 | 8% | 0.079 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -70.8 | -37.6 | 177.7 | -64.5 | -63.7 | 0 | 0 | 0 | 113.4 | A149 L413 R414 E419 Y420 D421 F751 | A149-F417 HydrophobicContact CB-CD1 4.35Å; A149-F417 HydrophobicContact CB-CE1 3.84Å; L413-F417 HydrophobicContact CB-CD2 4.09Å; L413-F417 HydrophobicContact CB-CE2 3.78Å; L413-F417 HydrophobicContact CD1-CE2 4.36Å; L413-F417 WeakPolarHBondContact O-CD2 3.04Å; L413-F417 PolarHBondContact O-N 3.09Å; L413-F417 VanDerWaalsContact O-N 3.1Å; R414-F417 PolarHBondContact O-N 3.32Å; F417-E419 VanDerWaalsContact C-N 3.25Å; F417-E419 PolarHBondContact O-N 3.11Å; F417-Y420 WeakPolarHBondContact O-CB 3.3Å; F417-Y420 PolarHBondContact O-N 2.85Å; F417-Y420 VanDerWaalsContact O-N 3.16Å; F417-D421 PolarHBondContact O-N 3.4Å; F417-F751 HydrophobicContact CD2-CB 3.84Å; F417-F751 AromaticContact CD2-CD1 3.8Å; F417-F751 HydrophobicContact CD2-CD1 3.8Å; F417-F751 AromaticContact CD2-CD2 3.93Å; F417-F751 HydrophobicContact CD2-CD2 3.93Å; F417-F751 HydrophobicContact CD2-CE1 4.34Å; F417-F751 HydrophobicContact CD2-CE2 4.46Å; F417-F751 AromaticContact CD2-CG 3.58Å; F417-F751 HydrophobicContact CD2-CG 3.58Å; F417-F751 HydrophobicContact CE2-CB 3.66Å; F417-F751 AromaticContact CE2-CD1 3.32Å; F417-F751 HydrophobicContact CE2-CD1 3.32Å; F417-F751 HydrophobicContact CE2-CD2 4.3Å; F417-F751 HydrophobicContact CE2-CE1 4.01Å; F417-F751 AromaticContact CE2-CG 3.5Å; F417-F751 HydrophobicContact CE2-CG 3.5Å; F417-F751 VanDerWaalsContact CE2-CG 3.5Å; F417-F751 AromaticContact CZ-CD1 3.78Å; F417-F751 HydrophobicContact CZ-CD1 3.78Å; F417-F751 HydrophobicContact CZ-CE1 4.12Å; F417-F751 HydrophobicContact CZ-CG 4.38Å |
| 418 | L | 57.5 | Low | 44.1 | Very low | 107 Ų | 107 | 108 Ų | 108 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.2 | -24.8 | 172.9 | -74.5 | 167.5 | 0 | 0 | 0 | 113.6 | R414 R422 | R414-L418 VanDerWaalsContact O-CB 3.24Å; R414-L418 WeakPolarHBondContact O-CB 3.37Å; R414-L418 WeakPolarHBondContact O-CD1 3.32Å; R414-L418 WeakPolarHBondContact O-CG 2.99Å; R414-L418 PolarHBondContact O-N 2.83Å; L418-R422 WeakPolarHBondContact O-CG 3.33Å |
| 419 | E | 49.3 | Very low | 44.5 | Very low | 132 Ų | 132 | 104.4 Ų | 104.4 | 62% | 0.617 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -79.9 | -34 | 173.1 | -166.8 | 161.3 | -130.3 | 0 | 0 | 111 | R415 F416 F417 L423 | R415-E419 WeakPolarHBondContact O-CB 3.3Å; R415-E419 PolarHBondContact O-N 2.98Å; R415-E419 VanDerWaalsContact O-N 3.13Å; F416-E419 PolarHBondContact O-N 2.88Å; F417-E419 VanDerWaalsContact C-N 3.25Å; F417-E419 PolarHBondContact O-N 3.11Å; E419-L423 PolarHBondContact O-N 3.38Å |
| 420 | Y | 50.8 | Low | 44.8 | Very low | 75 Ų | 75 | 103.7 Ų | 103.7 | 29% | 0.294 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.1 | -45.5 | 171.5 | -173.7 | -83 | 0 | 0 | 0 | 112.9 | Q150 F416 F417 R422 L423 Q424 | Q150-Y420 HydrophobicContact CB-CE2 4.48Å; F416-Y420 PolarHBondContact O-N 2.85Å; F417-Y420 WeakPolarHBondContact O-CB 3.3Å; F417-Y420 PolarHBondContact O-N 2.85Å; F417-Y420 VanDerWaalsContact O-N 3.16Å; Y420-R422 PolarHBondContact O-N 3.07Å; Y420-L423 WeakPolarHBondContact O-CB 3.33Å; Y420-L423 PolarHBondContact O-N 3.11Å; Y420-Q424 PolarHBondContact O-N 3.42Å |
| 421 | D | 41 | Very low | 45 | Very low | 81 Ų | 81 | 101.2 Ų | 101.2 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.6 | -41.3 | 178 | -72.6 | -24.7 | 0 | 0 | 0 | 111.1 | F417 L423 Q424 E425 | F417-D421 PolarHBondContact O-N 3.4Å; D421-L423 PolarHBondContact O-N 3.31Å; D421-Q424 CarbonylContact O-C 3.58Å; D421-Q424 PolarHBondContact O-N 3.38Å; D421-E425 PolarHBondContact O-N 3.27Å |
| 422 | R | 36.2 | Very low | 44.4 | Very low | 187 Ų | 187 | 100.5 Ų | 100.5 | 71% | 0.706 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.5 | -35 | 175.6 | -73.1 | -179.9 | -178.9 | -165.2 | 1.3 | 113.9 | L418 Y420 Q424 L426 | L418-R422 WeakPolarHBondContact O-CG 3.33Å; Y420-R422 PolarHBondContact O-N 3.07Å; R422-Q424 VanDerWaalsContact C-N 3.32Å; R422-L426 WeakPolarHBondContact O-CB 3.35Å; R422-L426 PolarHBondContact O-N 3.49Å; R422-L426 VanDerWaalsContact O-N 3.12Å |
| 423 | L | 41.7 | Very low | 43.4 | Very low | 110 Ų | 110 | 107.1 Ų | 107.1 | 58% | 0.576 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.1 | -37.4 | 173.8 | -72.7 | 162.7 | 0 | 0 | 0 | 110.3 | E419 Y420 D421 L426 D427 | E419-L423 PolarHBondContact O-N 3.38Å; Y420-L423 WeakPolarHBondContact O-CB 3.33Å; Y420-L423 PolarHBondContact O-N 3.11Å; D421-L423 PolarHBondContact O-N 3.31Å; L423-L426 WeakPolarHBondContact O-CB 3.42Å; L423-L426 PolarHBondContact O-N 2.83Å; L423-D427 PolarHBondContact O-N 2.82Å; L423-D427 VanDerWaalsContact O-N 3.14Å |
| 424 | Q | 38.1 | Very low | 41.4 | Very low | 95 Ų | 95 | 110.8 Ų | 110.8 | 44% | 0.444 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -74.1 | -28.9 | 178.2 | -159 | 169.5 | 33.6 | 0 | 0 | 113.6 | Y420 D421 R422 Q428 | Y420-Q424 PolarHBondContact O-N 3.42Å; D421-Q424 CarbonylContact O-C 3.58Å; D421-Q424 PolarHBondContact O-N 3.38Å; R422-Q424 VanDerWaalsContact C-N 3.32Å; Q424-Q428 WeakPolarHBondContact O-CG 3.35Å; Q424-Q428 PolarHBondContact O-N 2.97Å; Q424-Q428 PolarHBondContact O-NE2 2.64Å; Q424-Q428 VanDerWaalsContact O-NE2 3.08Å |
| 425 | E | 35.2 | Very low | 40.1 | Very low | 136 Ų | 136 | 112.7 Ų | 112.7 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.7 | -36.5 | 165.8 | -74 | -175.3 | 145.5 | 0 | 0 | 111.7 | D421 Q428 S429 | D421-E425 PolarHBondContact O-N 3.27Å; E425-Q428 PolarHBondContact O-N 3.03Å; E425-S429 PolarHBondContact O-N 3.06Å |
| 426 | L | 35.3 | Very low | 38.7 | Very low | 108 Ų | 108 | 111.7 Ų | 111.7 | 57% | 0.565 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.1 | -43.1 | -178.8 | -157.4 | 70.4 | 0 | 0 | 0 | 112.1 | R422 L423 Q428 S429 | R422-L426 WeakPolarHBondContact O-CB 3.35Å; R422-L426 PolarHBondContact O-N 3.49Å; R422-L426 VanDerWaalsContact O-N 3.12Å; L423-L426 WeakPolarHBondContact O-CB 3.42Å; L423-L426 PolarHBondContact O-N 2.83Å; L426-Q428 VanDerWaalsContact C-N 3.33Å; L426-Q428 PolarHBondContact O-N 2.89Å; L426-S429 WeakPolarHBondContact O-CB 3.47Å; L426-S429 PolarHBondContact O-N 3.06Å; L426-S429 VanDerWaalsContact O-N 3.14Å; L426-S429 PolarHBondContact O-OG 3.11Å |
| 427 | D | 33.4 | Very low | 37.1 | Very low | 123 Ų | 123 | 116.6 Ų | 116.6 | 66% | 0.658 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.5 | -36.2 | 173.9 | -94.6 | -11.4 | 0 | 0 | 0 | 112.5 | L423 S429 L430 | L423-D427 PolarHBondContact O-N 2.82Å; L423-D427 VanDerWaalsContact O-N 3.14Å; D427-S429 PolarHBondContact O-N 3.16Å; D427-L430 PolarHBondContact O-N 3.31Å |
| 428 | Q | 32.5 | Very low | 35.4 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -66.9 | -25.3 | 174.9 | -76.9 | 174.9 | 69.9 | 0 | 0 | 112.8 | Q424 E425 L426 L430 S431 | Q424-Q428 WeakPolarHBondContact O-CG 3.35Å; Q424-Q428 PolarHBondContact O-N 2.97Å; Q424-Q428 PolarHBondContact O-NE2 2.64Å; Q424-Q428 VanDerWaalsContact O-NE2 3.08Å; E425-Q428 PolarHBondContact O-N 3.03Å; L426-Q428 VanDerWaalsContact C-N 3.33Å; L426-Q428 PolarHBondContact O-N 2.89Å; Q428-L430 PolarHBondContact O-N 2.89Å; Q428-S431 PolarHBondContact O-OG 2.77Å |
| 429 | S | 32.6 | Very low | 33.9 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 59% | 0.594 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -14.3 | 177.2 | 79.2 | 0 | 0 | 0 | 0 | 114.6 | E425 L426 D427 | E425-S429 PolarHBondContact O-N 3.06Å; L426-S429 WeakPolarHBondContact O-CB 3.47Å; L426-S429 PolarHBondContact O-N 3.06Å; L426-S429 VanDerWaalsContact O-N 3.14Å; L426-S429 PolarHBondContact O-OG 3.11Å; D427-S429 PolarHBondContact O-N 3.16Å |
| 430 | L | 35.1 | Very low | 32.9 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 1.9 | -175.1 | -74.5 | 164.8 | 0 | 0 | 0 | 114.6 | D427 Q428 | D427-L430 PolarHBondContact O-N 3.31Å; Q428-L430 PolarHBondContact O-N 2.89Å |
| 431 | S | 31.8 | Very low | 31.7 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -124.5 | 35.2 | -170.1 | 49.4 | 0 | 0 | 0 | 0 | 114.9 | Q428 | Q428-S431 PolarHBondContact O-OG 2.77Š|
| 432 | G | 27.8 | Very low | 31.1 | Very low | 71 Ų | 71 | 137.2 Ų | 137.2 | 73% | 0.732 | 74% | 0.739 | S | S | * | * | trans | -128.6 | 91.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 433 | E | 25.7 | Very low | 30.6 | Very low | 200 Ų | 200 | 135.6 Ų | 135.6 | 94% | 0.935 | 74% | 0.741 | S | S | * | * | trans | -72.5 | 131.8 | 165.1 | -71.7 | -165.8 | 127 | 0 | 0 | 111.2 | ||||
| 434 | A | 29.1 | Very low | 29.8 | Very low | 89 Ų | 89 | 136.7 Ų | 136.7 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | -105.5 | 129.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q436 | A434-Q436 PolarHBondContact O-N 3Š| ||
| 435 | P | 29.5 | Very low | 29.2 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | trans | -76.7 | 114 | -179.1 | 29.5 | -33.6 | 0 | 0 | 0 | 111.8 | ||||
| 436 | Q | 27.4 | Very low | 28.8 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -81.4 | 119.7 | 167.3 | -70 | -172.2 | -4.8 | 0 | 0 | 110.9 | A434 | A434-Q436 PolarHBondContact O-N 3Š| ||
| 437 | T | 26.3 | Very low | 28.5 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 83% | 0.828 | 77% | 0.769 | S | S | * | * | trans | -175.1 | 101.1 | 141.2 | 12.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 438 | Q | 27.4 | Very low | 28.2 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | 156.4 | 94.8 | 141.5 | -89.3 | 176.1 | 25.7 | 0 | 0 | 111 | ||||
| 439 | Q | 26.7 | Very low | 27.9 | Very low | 204 Ų | 204 | 143.5 Ų | 143.5 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | trans | -172.8 | 104.6 | 131.5 | -105.6 | 168.2 | 10.5 | 0 | 0 | 109.8 | ||||
| 440 | A | 27.4 | Very low | 27.5 | Very low | 95 Ų | 95 | 145 Ų | 145 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -138.8 | 98.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 441 | Q | 26.5 | Very low | 27 | Very low | 174 Ų | 174 | 147 Ų | 147 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -170.7 | 167.3 | 160 | -146.2 | 64 | 10.8 | 0 | 0 | 107.3 | ||||
| 442 | E | 28 | Very low | 26.8 | Very low | 183 Ų | 183 | 153.3 Ų | 153.3 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | 62.4 | 73.3 | -179.9 | -57 | -172.3 | 178.8 | 0 | 0 | 112.8 | ||||
| 443 | M | 24.4 | Very low | 26.7 | Very low | 152 Ų | 152 | 156 Ų | 156 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | 60.8 | 103.8 | 50.6 | -81.6 | -92.6 | -73.7 | 0 | 0 | 114.9 | |||||
| 444 | L | 25.6 | Very low | 26.6 | Very low | 134 Ų | 134 | 149.7 Ų | 149.7 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | trans | 70.5 | 110.5 | 149.4 | -55.8 | 169.4 | 0 | 0 | 0 | 119.8 | ||||
| 445 | N | 25.8 | Very low | 27.1 | Very low | 139 Ų | 139 | 151.3 Ų | 151.3 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | -174.8 | 124.2 | 104.9 | -97.9 | -55.1 | 0 | 0 | 0 | 114.6 | |||||
| 446 | N | 26.9 | Very low | 26.8 | Very low | 116 Ų | 116 | 150 Ų | 150 | 62% | 0.62 | 80% | 0.803 | S | S | * | * | 37.9 | 116.1 | 126.5 | -64.2 | -37.4 | 0 | 0 | 0 | 119.3 | |||||
| 447 | N | 27.6 | Very low | 26.7 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | 102.9 | 123.9 | 68.1 | -81.4 | -9.5 | 0 | 0 | 0 | 112 | |||||
| 448 | I | 27.4 | Very low | 26.6 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | -166.6 | 151.6 | 113.7 | -133.6 | 69.7 | 0 | 0 | 0 | 110.6 | |||||
| 449 | E | 26.1 | Very low | 26.9 | Very low | 182 Ų | 182 | 147.7 Ų | 147.7 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -106.5 | 154.9 | 173.5 | -63.3 | 177.6 | 103.8 | 0 | 0 | 111.6 | ||||
| 450 | S | 25 | Very low | 27.1 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 168.7 | 135.8 | 156.7 | -81.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 451 | E | 25.5 | Very low | 27.4 | Very low | 185 Ų | 185 | 143.8 Ų | 143.8 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | cis | -147.2 | 171.9 | -12.1 | -84.3 | -157.7 | 118.5 | 0 | 0 | 109.2 | ||||
| 452 | R | 27 | Very low | 27.2 | Very low | 232 Ų | 232 | 144 Ų | 144 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | trans | -94.1 | 156.6 | 163.6 | -83.7 | -179.4 | 169.8 | 170.3 | -2.1 | 110.5 | ||||
| 453 | P | 26.3 | Very low | 27 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | -137.9 | 156.4 | 103.9 | 35.9 | -24.6 | 0 | 0 | 0 | 114.7 | |||||
| 454 | G | 22.2 | Very low | 27.1 | Very low | 67 Ų | 67 | 137.8 Ų | 137.8 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | trans | -112.3 | -153.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 455 | P | 40.3 | Very low | 27 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | cis | -137.6 | -171.6 | 8.4 | 43.3 | -26.6 | 0 | 0 | 0 | 115.8 | ||||
| 456 | S | 22.5 | Very low | 26.9 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | 78.9 | 166.6 | 164.4 | 86.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 457 | H | 25.9 | Very low | 26.8 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | cis | -141.3 | 162.3 | 6.5 | -144.6 | -79.9 | 0 | 0 | 0 | 112.3 | ||||
| 458 | Q | 23.3 | Very low | 26.7 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | -107.8 | 175.9 | 169.5 | -91.6 | -172.2 | -13.9 | 0 | 0 | 110 | ||||
| 459 | P | 33.9 | Very low | 26.6 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | cis | -133.7 | -171.7 | 9.7 | 38.8 | -18.4 | 0 | 0 | 0 | 115 | ||||
| 460 | T | 30.7 | Very low | 26.6 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -77.1 | 176.7 | 154 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 461 | P | 34.2 | Very low | 26.6 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | -162.7 | 178.2 | 85.6 | 45.7 | -25.9 | 0 | 0 | 0 | 117.8 | |||||
| 462 | H | 23.5 | Very low | 26.6 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | 62.5 | 157 | 147.4 | -62.3 | -27.2 | 0 | 0 | 0 | 120.4 | ||||
| 463 | S | 23.9 | Very low | 26.5 | Very low | 96 Ų | 96 | 127 Ų | 127 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | cis | -170.2 | 175.9 | -21.1 | 52.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 464 | S | 25.4 | Very low | 26.7 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | trans | 71.7 | 152.1 | 167.9 | 72.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 465 | E | 23.6 | Very low | 27.1 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | cis | 160 | 153.3 | -39.1 | -103 | -166.8 | 171.2 | 0 | 0 | 108.7 | ||||
| 466 | N | 23.9 | Very low | 26.7 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | trans | 58.8 | 107.2 | 147.5 | -69.1 | -38.8 | 0 | 0 | 0 | 118.7 | ||||
| 467 | N | 24.4 | Very low | 27 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | 85.4 | 142.7 | 83.1 | -85 | -35.3 | 0 | 0 | 0 | 113.9 | |||||
| 468 | S | 26.6 | Very low | 27 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 57% | 0.566 | 73% | 0.731 | S | S | * | * | cis | -172.5 | 171.4 | -5.2 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 469 | N | 24.8 | Very low | 27.2 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | 85.2 | 151 | 134.9 | -82.4 | -39.5 | 0 | 0 | 0 | 124 | ||||
| 470 | L | 26.3 | Very low | 27.1 | Very low | 156 Ų | 156 | 137 Ų | 137 | 82% | 0.817 | 73% | 0.731 | S | S | * | * | trans | 77.4 | 138.2 | 160.5 | -60.9 | 132.2 | 0 | 0 | 0 | 119.8 | ||||
| 471 | S | 24.4 | Very low | 27 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 59% | 0.587 | 73% | 0.734 | S | S | * | * | cis | -174.9 | 147.6 | -25.2 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 472 | R | 25.6 | Very low | 26.9 | Very low | 245 Ų | 245 | 141 Ų | 141 | 93% | 0.925 | 75% | 0.745 | S | S | * | * | trans | 54.6 | 133 | 149.8 | -66.4 | 168.6 | 172.9 | 154.3 | -3.3 | 119.5 | ||||
| 473 | G | 25.1 | Very low | 27.2 | Very low | 60 Ų | 60 | 140.5 Ų | 140.5 | 62% | 0.619 | 75% | 0.748 | S | S | * | * | cis | 162.5 | 160.6 | -8.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 474 | H | 30.6 | Very low | 27.7 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | 69 | 144.8 | 167.8 | -48.8 | -70.2 | 0 | 0 | 0 | 117.6 | ||||
| 475 | L | 30.3 | Very low | 28.3 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | cis | -153.4 | 156.2 | -12.7 | -138.3 | 65.8 | 0 | 0 | 0 | 105.5 | ||||
| 476 | N | 31.2 | Very low | 29.1 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 65% | 0.647 | 73% | 0.729 | S | S | * | * | 177.6 | 148.9 | 57.2 | -138.1 | -23.4 | 0 | 0 | 0 | 111.9 | |||||
| 477 | R | 30 | Very low | 29.7 | Very low | 221 Ų | 221 | 137.4 Ų | 137.4 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | trans | 60.3 | 141.6 | 160.4 | -62.7 | -176.4 | 178.2 | -176.9 | -3.1 | 119.4 | ||||
| 478 | C | 26.1 | Very low | 30.8 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 78% | 0.777 | 70% | 0.696 | S | S | * | * | cis | -152.5 | 147.9 | -3.3 | -112.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 479 | R | 25.7 | Very low | 31.2 | Very low | 248 Ų | 248 | 135 Ų | 135 | 94% | 0.936 | 70% | 0.7 | S | S | * | * | trans | -165.1 | 164.2 | 173.9 | -90.5 | -162.2 | 170.1 | -165.5 | -3.3 | 108.5 | ||||
| 480 | A | 32.1 | Very low | 31.9 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 62% | 0.62 | 70% | 0.704 | S | S | * | * | cis | -173.8 | -175.5 | -22.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 481 | C | 29.6 | Very low | 33.4 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 82% | 0.824 | 69% | 0.685 | S | S | * | * | trans | 73.5 | 134.6 | 165.1 | -60.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 482 | H | 31.4 | Very low | 34.4 | Very low | 179 Ų | 179 | 133.9 Ų | 133.9 | 83% | 0.829 | 69% | 0.69 | S | S | * | * | 82.1 | 130.8 | 56.4 | -98.3 | 24.8 | 0 | 0 | 0 | 114.6 | |||||
| 483 | N | 30.2 | Very low | 35 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 90% | 0.898 | 68% | 0.678 | S | S | * | * | trans | -157.2 | 146.5 | 165.1 | -95.4 | -41 | 0 | 0 | 0 | 109.1 | ||||
| 484 | L | 35.3 | Very low | 35.8 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | trans | -111.1 | 170.1 | -175.8 | -76.5 | 159.4 | 0 | 0 | 0 | 111.8 | ||||
| 485 | L | 36.4 | Very low | 36.3 | Very low | 84 Ų | 84 | 132.4 Ų | 132.4 | 44% | 0.44 | 66% | 0.663 | S | S | . | * | trans | -123.3 | 155.2 | 172.2 | -72.5 | 167.3 | 0 | 0 | 0 | 109.6 | W494 R496 | L485-W494 HydrophobicContact CB-CE3 3.97Å; L485-W494 HydrophobicContact CB-CZ3 4.44Å; L485-R496 HydrophobicContact CD2-CB 3.72Å; L485-R496 HydrophobicContact CD2-CG 4.02Å | ||
| 486 | T | 41.6 | Very low | 36.7 | Very low | 88 Ų | 88 | 135 Ų | 135 | 54% | 0.54 | 66% | 0.664 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.1 | 142.3 | 176 | 45.9 | 0 | 0 | 0 | 0 | 110.5 | E495 | T486-E495 PolarHBondContact O-N 2.82Å |
| 487 | F | 36.8 | Very low | 36.8 | Very low | 87 Ų | 87 | 134.6 Ų | 134.6 | 38% | 0.382 | 67% | 0.665 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.4 | 141.7 | -178.9 | -170.7 | -118.1 | 0 | 0 | 0 | 111 | N489 L492 R493 W494 | F487-N489 WeakPolarHBondContact CD1-OD1 3.44Å; F487-N489 WeakPolarHBondContact CE1-OD1 3.36Å; F487-L492 HydrophobicContact CE1-CD2 4.34Å; F487-L492 VanDerWaalsContact CE2-C 3.49Å; F487-L492 HydrophobicContact CZ-CB 4.37Å; F487-L492 HydrophobicContact CZ-CD2 4.1Å; F487-R493 WeakPolarHBondContact CD2-O 3.32Å; F487-W494 HydrophobicContact CB-CD2 3.89Å; F487-W494 HydrophobicContact CB-CE3 3.89Å; F487-W494 HydrophobicContact CB-CH2 3.88Å; F487-W494 HydrophobicContact CB-CZ2 3.86Å; F487-W494 HydrophobicContact CB-CZ3 3.9Å; F487-W494 AromaticContact CD2-CD1 3.57Å; F487-W494 AromaticContact CD2-CD2 3.85Å; F487-W494 HydrophobicContact CD2-CD2 3.85Å; F487-W494 AromaticContact CD2-CE2 3.65Å; F487-W494 AromaticContact CD2-CG 3.81Å; F487-W494 HydrophobicContact CD2-CG 3.81Å; F487-W494 HydrophobicContact CD2-CZ2 4.31Å; F487-W494 AromaticContact CD2-NE1 3.45Å; F487-W494 AromaticContact CE2-NE1 3.94Å; F487-W494 HydrophobicContact CG-CD2 4.33Å; F487-W494 HydrophobicContact CG-CZ2 4.29Å |
| 488 | N | 46.6 | Very low | 37 | Very low | 54 Ų | 54 | 129.6 Ų | 129.6 | 29% | 0.289 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109 | 113.1 | 173.1 | -175.1 | -7.5 | 0 | 0 | 0 | 109.4 | D490 T491 L492 R493 | N488-D490 VanDerWaalsContact C-N 3.32Å; N488-D490 PolarHBondContact O-N 3.29Å; N488-D490 PolarHBondContact OD1-N 2.98Å; N488-D490 VanDerWaalsContact OD1-N 3.11Å; N488-T491 PolarHBondContact O-N 2.86Å; N488-L492 WeakPolarHBondContact O-CA 3.39Å; N488-L492 PolarHBondContact O-N 3Å; N488-R493 PolarHBondContact N-O 3.09Å; N488-R493 PolarHBondContact O-N 3.28Å |
| 489 | N | 35.1 | Very low | 37.2 | Very low | 118 Ų | 118 | 130 Ų | 130 | 63% | 0.631 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -32.2 | -178.5 | -75.7 | -4.8 | 0 | 0 | 0 | 112.6 | F487 T491 | F487-N489 WeakPolarHBondContact CD1-OD1 3.44Å; F487-N489 WeakPolarHBondContact CE1-OD1 3.36Å; N489-T491 VanDerWaalsContact C-N 3.28Å; N489-T491 PolarHBondContact O-N 2.75Å |
| 490 | D | 39.4 | Very low | 37.2 | Very low | 156 Ų | 156 | 125.5 Ų | 125.5 | 83% | 0.834 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -19.7 | -175.3 | -61.1 | -22.3 | 0 | 0 | 0 | 112.6 | N488 | N488-D490 VanDerWaalsContact C-N 3.32Å; N488-D490 PolarHBondContact O-N 3.29Å; N488-D490 PolarHBondContact OD1-N 2.98Å; N488-D490 VanDerWaalsContact OD1-N 3.11Å |
| 491 | T | 57.8 | Low | 37 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 42% | 0.423 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.7 | -3.9 | 177.6 | 65 | 0 | 0 | 0 | 0 | 113.8 | N488 N489 R493 | N488-T491 PolarHBondContact O-N 2.86Å; N489-T491 VanDerWaalsContact C-N 3.28Å; N489-T491 PolarHBondContact O-N 2.75Å; T491-R493 PolarHBondContact O-N 3.09Å |
| 492 | L | 44.8 | Very low | 36.8 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 70% | 0.696 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.5 | 40.2 | -173.5 | -62.6 | 174.9 | 0 | 0 | 0 | 113.3 | F487 N488 | F487-L492 HydrophobicContact CE1-CD2 4.34Å; F487-L492 VanDerWaalsContact CE2-C 3.49Å; F487-L492 HydrophobicContact CZ-CB 4.37Å; F487-L492 HydrophobicContact CZ-CD2 4.1Å; N488-L492 WeakPolarHBondContact O-CA 3.39Å; N488-L492 PolarHBondContact O-N 3Å |
| 493 | R | 39.6 | Very low | 36.5 | Very low | 177 Ų | 177 | 130.1 Ų | 130.1 | 67% | 0.668 | 67% | 0.671 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -135.7 | 151.5 | -178.9 | -74.5 | -174.6 | 175.3 | -141.2 | -4.9 | 113 | F487 N488 T491 | F487-R493 WeakPolarHBondContact CD2-O 3.32Å; N488-R493 PolarHBondContact N-O 3.09Å; N488-R493 PolarHBondContact O-N 3.28Å; T491-R493 PolarHBondContact O-N 3.09Å |
| 494 | W | 41 | Very low | 36.4 | Very low | 169 Ų | 169 | 125.5 Ų | 125.5 | 64% | 0.64 | 66% | 0.663 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 122.6 | 170.2 | -71.2 | 91.5 | 0 | 0 | 0 | 109.8 | L485 F487 | L485-W494 HydrophobicContact CB-CE3 3.97Å; L485-W494 HydrophobicContact CB-CZ3 4.44Å; F487-W494 HydrophobicContact CB-CD2 3.89Å; F487-W494 HydrophobicContact CB-CE3 3.89Å; F487-W494 HydrophobicContact CB-CH2 3.88Å; F487-W494 HydrophobicContact CB-CZ2 3.86Å; F487-W494 HydrophobicContact CB-CZ3 3.9Å; F487-W494 AromaticContact CD2-CD1 3.57Å; F487-W494 AromaticContact CD2-CD2 3.85Å; F487-W494 HydrophobicContact CD2-CD2 3.85Å; F487-W494 AromaticContact CD2-CE2 3.65Å; F487-W494 AromaticContact CD2-CG 3.81Å; F487-W494 HydrophobicContact CD2-CG 3.81Å; F487-W494 HydrophobicContact CD2-CZ2 4.31Å; F487-W494 AromaticContact CD2-NE1 3.45Å; F487-W494 AromaticContact CE2-NE1 3.94Å; F487-W494 HydrophobicContact CG-CD2 4.33Å; F487-W494 HydrophobicContact CG-CZ2 4.29Å |
| 495 | E | 40.3 | Very low | 36 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 49% | 0.491 | 67% | 0.669 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.4 | 157 | -180 | -67.2 | -174 | 173.7 | 0 | 0 | 111.1 | T486 | T486-E495 PolarHBondContact O-N 2.82Å |
| 496 | R | 40.5 | Very low | 35.5 | Very low | 192 Ų | 192 | 127.4 Ų | 127.4 | 73% | 0.725 | 68% | 0.679 | S | S | * | * | trans | -111.3 | 117.1 | -175.6 | -170.3 | -175.8 | -59.5 | -151.9 | 0.9 | 109.6 | L485 T498 | L485-R496 HydrophobicContact CD2-CB 3.72Å; L485-R496 HydrophobicContact CD2-CG 4.02Å; R496-T498 PolarHBondContact O-N 2.96Å | ||
| 497 | T | 32.7 | Very low | 34.8 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 69% | 0.687 | 69% | 0.688 | S | S | * | * | trans | -62.5 | 121.1 | 176 | 43.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 498 | T | 35.1 | Very low | 34.3 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 71% | 0.712 | 71% | 0.706 | S | S | * | * | trans | -102.3 | 118.2 | 172.8 | 43 | 0 | 0 | 0 | 0 | 110.1 | R496 N500 | R496-T498 PolarHBondContact O-N 2.96Å; T498-N500 PolarHBondContact O-N 2.79Å | ||
| 499 | P | 30.2 | Very low | 33.4 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | trans | -84.8 | 100.4 | 176 | 31.8 | -31.6 | 0 | 0 | 0 | 110.6 | ||||
| 500 | N | 25.5 | Very low | 32.9 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | trans | -83.8 | 128.2 | 165.2 | -86.6 | -9.5 | 0 | 0 | 0 | 110.3 | T498 | T498-N500 PolarHBondContact O-N 2.79Š| ||
| 501 | Y | 26.8 | Very low | 32.2 | Very low | 230 Ų | 230 | 137.4 Ų | 137.4 | 90% | 0.902 | 74% | 0.735 | S | S | * | * | trans | -116.7 | 148.2 | 160.7 | -104.8 | -82.9 | 0 | 0 | 0 | 109.2 | ||||
| 502 | S | 25.1 | Very low | 30.7 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | -133.7 | 146.6 | -157.4 | 51.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 503 | S | 26.5 | Very low | 30.1 | Very low | 126 Ų | 126 | 140 Ų | 140 | 88% | 0.881 | 76% | 0.758 | S | S | * | * | trans | -157.3 | 127.8 | 152.7 | 50.6 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 504 | G | 27 | Very low | 29.4 | Very low | 72 Ų | 72 | 136.3 Ų | 136.3 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | cis | 126.1 | 129.1 | 26.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 505 | E | 27.3 | Very low | 28.7 | Very low | 198 Ų | 198 | 132.6 Ų | 132.6 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | cis | -117.5 | -144.4 | 1.7 | -64.3 | -168.9 | 65.2 | 0 | 0 | 109.7 | ||||
| 506 | A | 26.3 | Very low | 28 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | cis | -159.2 | 171.3 | 6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 507 | S | 25.5 | Very low | 27.2 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | 48.4 | 101 | 152.9 | 61.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 508 | S | 28.1 | Very low | 26.7 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | 50 | 139.1 | 125.4 | 60.3 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 509 | S | 26.1 | Very low | 26.5 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | cis | -171.8 | 166.9 | 12.1 | 26.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 510 | W | 26.2 | Very low | 26.8 | Very low | 233 Ų | 233 | 135.2 Ų | 135.2 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | 9.5 | 141.9 | 152.4 | -49.6 | 104.1 | 0 | 0 | 0 | 119.3 | ||||
| 511 | Q | 23.8 | Very low | 26.8 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | cis | -164.5 | 171.2 | 30.1 | -143.4 | 160.7 | 31.2 | 0 | 0 | 112.3 | ||||
| 512 | V | 26.3 | Very low | 26.7 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | -130.1 | 138.8 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 513 | P | 33 | Very low | 26.7 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | -142.1 | 172.2 | 117.1 | 36.3 | -20.8 | 0 | 0 | 0 | 114.7 | |||||
| 514 | S | 24.7 | Very low | 26.6 | Very low | 99 Ų | 99 | 124.7 Ų | 124.7 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -106.4 | -176.4 | -170.1 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 515 | S | 25.4 | Very low | 26.7 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | trans | 62.6 | 125.6 | 146 | 54.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 516 | F | 25.8 | Very low | 26.7 | Very low | 190 Ų | 190 | 129 Ų | 129 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | -160.9 | -177.8 | 103 | -127.9 | -100.4 | 0 | 0 | 0 | 114.2 | |||||
| 517 | E | 23.6 | Very low | 27.9 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | trans | -90.8 | 176.2 | -162 | -169 | 175.9 | -140.5 | 0 | 0 | 115.1 | ||||
| 518 | S | 23.4 | Very low | 28.7 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | 88.6 | 163.7 | 152.3 | 82.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 519 | V | 29.3 | Very low | 28.7 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | -138.4 | 136.4 | -168.1 | 172.5 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 520 | P | 36.6 | Very low | 28.7 | Very low | 111 Ų | 111 | 133 Ų | 133 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | -163.4 | 166.1 | 77.6 | 45.7 | -24.1 | 0 | 0 | 0 | 121 | |||||
| 521 | S | 25.2 | Very low | 28.8 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | 46.4 | 132.1 | 137.1 | 69.6 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 522 | S | 25.1 | Very low | 28.9 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | 84 | 152.2 | 134.9 | 77.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 523 | G | 25.6 | Very low | 28.9 | Very low | 68 Ų | 68 | 131.1 Ų | 131.1 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | 106.7 | 70.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 524 | S | 25.2 | Very low | 28.4 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | 69.7 | 99.4 | 77.6 | -58.3 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 525 | Q | 27.7 | Very low | 28.5 | Very low | 197 Ų | 197 | 133.2 Ų | 133.2 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | trans | -166.4 | 156.9 | 130.1 | -106.8 | 167.4 | 23 | 0 | 0 | 112.5 | ||||
| 526 | L | 28.6 | Very low | 28.7 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -122.1 | -162.7 | -177.7 | -68.8 | 164.6 | 0 | 0 | 0 | 109.3 | ||||
| 527 | P | 49.9 | Very low | 29.2 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | -111.5 | -158.1 | -101.1 | 35.3 | -15.1 | 0 | 0 | 0 | 111.5 | |||||
| 528 | P | 43.4 | Very low | 29.3 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | -146.1 | 156 | 87.1 | 36.9 | -19.1 | 0 | 0 | 0 | 117 | |||||
| 529 | L | 28.4 | Very low | 29.5 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | trans | 20.2 | 145.9 | 131.9 | -68.4 | 75.5 | 0 | 0 | 0 | 119.4 | ||||
| 530 | E | 26.6 | Very low | 29.4 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 58% | 0.584 | 77% | 0.772 | S | S | * | * | cis | -167.7 | 166.7 | 8 | -122.1 | -174.7 | 141.4 | 0 | 0 | 112.8 | ||||
| 531 | R | 27.3 | Very low | 28.8 | Very low | 208 Ų | 208 | 134 Ų | 134 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 39.6 | 152.3 | 141.3 | -70.6 | -179.7 | 161.8 | 143 | -12.5 | 121.7 | ||||
| 532 | T | 26.3 | Very low | 28.8 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | cis | -166.6 | 160.1 | -8.8 | -101.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 533 | E | 25 | Very low | 28.8 | Very low | 184 Ų | 184 | 138 Ų | 138 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -2.7 | 142.8 | 161.1 | -55.2 | 160.6 | 151.4 | 0 | 0 | 120.2 | ||||
| 534 | G | 24.5 | Very low | 28.8 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | 166.3 | 88.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 535 | Q | 25.1 | Very low | 28.7 | Very low | 197 Ų | 197 | 141.6 Ų | 141.6 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | 56.6 | 148.3 | 141.7 | -61.9 | 179.3 | -7.1 | 0 | 0 | 122.4 | ||||
| 536 | T | 30.4 | Very low | 28.6 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -77.1 | 157.4 | 165 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 537 | P | 35.6 | Very low | 28.5 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | -138.5 | -164 | 117.9 | 38.9 | -27.2 | 0 | 0 | 0 | 113.5 | |||||
| 538 | S | 26.1 | Very low | 27.4 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -129.2 | 151.8 | -154.4 | 54.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 539 | S | 27.6 | Very low | 26.7 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | 57 | 111.6 | 140.5 | -162 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 540 | S | 26.7 | Very low | 27 | Very low | 117 Ų | 117 | 135 Ų | 135 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -175.5 | 126.4 | 135 | 23.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 541 | R | 25.1 | Very low | 27.1 | Very low | 210 Ų | 210 | 138.3 Ų | 138.3 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | cis | 77.1 | 97.9 | 48.1 | -167 | -174.4 | -173.3 | -175.7 | 2.9 | 113.9 | ||||
| 542 | L | 25.7 | Very low | 27.4 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | -168 | 176.2 | 125.2 | -102.5 | 167.4 | 0 | 0 | 0 | 110.9 | |||||
| 543 | E | 23.9 | Very low | 27.6 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 67% | 0.673 | 81% | 0.805 | S | S | * | * | trans | -121.9 | 151.4 | -156.9 | -62.3 | 155.9 | -171.1 | 0 | 0 | 112.6 | ||||
| 544 | L | 25.5 | Very low | 28.3 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | 174 | 128.8 | 123.3 | -94.7 | 157.1 | 0 | 0 | 0 | 115.7 | |||||
| 545 | S | 22.6 | Very low | 28.9 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | 50.5 | 114.1 | 148.4 | 59.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 546 | S | 27.2 | Very low | 30 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | 64.4 | 103.2 | 133 | 64.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 547 | S | 26 | Very low | 31.2 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -158.1 | -179.1 | 132 | 51.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 548 | A | 26.8 | Very low | 32.1 | Very low | 93 Ų | 93 | 129.5 Ų | 129.5 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | -98 | 170.1 | -156.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 549 | S | 28.9 | Very low | 33.1 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | -29.2 | 152.7 | 163.5 | 51.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 550 | P | 34.3 | Very low | 34.5 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 81% | 0.812 | 70% | 0.7 | S | S | * | * | cis | -139.3 | 169.5 | 43.4 | 39.6 | -21.6 | 0 | 0 | 0 | 118.6 | ||||
| 551 | Q | 29 | Very low | 36 | Very low | 194 Ų | 194 | 122.4 Ų | 122.4 | 91% | 0.907 | 67% | 0.673 | S | S | * | * | trans | -110.9 | 159 | 163.1 | -77.7 | -169.1 | -65.8 | 0 | 0 | 110.6 | ||||
| 552 | E | 33.3 | Very low | 36.8 | Very low | 192 Ų | 192 | 120.7 Ų | 120.7 | 90% | 0.897 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 138.6 | -178.2 | -55.9 | 170.1 | 113.2 | 0 | 0 | 112.8 | ||
| 553 | E | 31.3 | Very low | 37.7 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 66% | 0.659 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 134.1 | 168.5 | -64.3 | -170.5 | 128.4 | 0 | 0 | 111.3 | Y571 | E553-Y571 HydrophobicContact CB-CD1 4Å; E553-Y571 HydrophobicContact CB-CE1 4.2Å |
| 554 | R | 37.9 | Very low | 39.3 | Very low | 216 Ų | 216 | 119 Ų | 119 | 82% | 0.815 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 124.2 | 171.6 | -77.2 | -174.3 | 171.4 | -169.8 | -2.8 | 111.4 | ||
| 555 | T | 37.3 | Very low | 40.5 | Very low | 77 Ų | 77 | 113.2 Ų | 113.2 | 47% | 0.472 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.2 | 135.6 | 168.1 | 49.3 | 0 | 0 | 0 | 0 | 110.9 | R569 Y571 | T555-R569 HydrophobicContact CG2-CB 4.49Å; T555-Y571 HydrophobicContact CG2-CD1 3.96Å; T555-Y571 HydrophobicContact CG2-CE1 3.3Å; T555-Y571 HydrophobicContact CG2-CE2 4.26Å; T555-Y571 VanDerWaalsContact CG2-CZ 3.48Å |
| 556 | V | 49.9 | Very low | 41.6 | Very low | 106 Ų | 106 | 115.1 Ų | 115.1 | 64% | 0.642 | 65% | 0.645 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.4 | -17 | -179.7 | -178.5 | 0 | 0 | 0 | 0 | 112.9 | I570 T572 | V556-I570 PolarHBondContact N-O 3.32Å; V556-I570 VanDerWaalsContact N-O 3.1Å; V556-T572 HydrophobicContact CB-CG2 4.23Å; V556-T572 HydrophobicContact CG2-CG2 3.81Å |
| 557 | G | 55.6 | Low | 42.8 | Very low | 33 Ų | 33 | 118 Ų | 118 | 34% | 0.34 | 64% | 0.638 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -175.1 | 179.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | I570 | G557-I570 PolarHBondContact O-N 3.3Å |
| 558 | V | 54.3 | Low | 44.3 | Very low | 77 Ų | 77 | 116.2 Ų | 116.2 | 47% | 0.467 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.7 | 175.3 | -154.3 | 0 | 0 | 0 | 0 | 108.2 | W567 E568 R569 | V558-W567 HydrophobicContact CB-CE3 4.22Å; V558-W567 HydrophobicContact CG1-CB 3.83Å; V558-W567 HydrophobicContact CG1-CE3 4.01Å; V558-E568 CarbonylContact C-O 3.55Å; V558-E568 WeakPolarHBondContact CA-O 3.28Å; V558-E568 VanDerWaalsContact CG1-O 3.28Å; V558-E568 WeakPolarHBondContact CG1-O 3.47Å; V558-R569 HydrophobicContact CG1-CG 4.08Å; V558-R569 HydrophobicContact CG2-CG 4.23Å |
| 559 | A | 46.2 | Very low | 45.1 | Very low | 44 Ų | 44 | 120.4 Ų | 120.4 | 36% | 0.364 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 143.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | W567 E568 I570 | A559-W567 WeakPolarHBondContact O-CA 3.39Å; A559-E568 PolarHBondContact N-O 2.77Å; A559-E568 PolarHBondContact O-N 3.3Å; A559-I570 HydrophobicContact CB-CD1 3.91Å |
| 560 | F | 57.4 | Low | 46.1 | Very low | 97 Ų | 97 | 119.8 Ų | 119.8 | 43% | 0.425 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 114.9 | 173.9 | -174.8 | -109.3 | 0 | 0 | 0 | 109.9 | Q562 W567 | F560-Q562 HydrophobicContact CD1-CG 4Å; F560-Q562 HydrophobicContact CE1-CG 4.14Å; F560-W567 HydrophobicContact CB-CD2 3.97Å; F560-W567 HydrophobicContact CB-CE3 3.85Å; F560-W567 HydrophobicContact CB-CH2 3.82Å; F560-W567 HydrophobicContact CB-CZ2 3.91Å; F560-W567 HydrophobicContact CB-CZ3 3.78Å; F560-W567 AromaticContact CD2-CD1 3.81Å; F560-W567 AromaticContact CD2-CD2 3.89Å; F560-W567 HydrophobicContact CD2-CD2 3.89Å; F560-W567 AromaticContact CD2-CE2 3.63Å; F560-W567 HydrophobicContact CD2-CG 4.02Å; F560-W567 HydrophobicContact CD2-CZ2 4.16Å; F560-W567 AromaticContact CD2-NE1 3.54Å; F560-W567 HydrophobicContact CG-CD2 4.41Å; F560-W567 HydrophobicContact CG-CZ2 4.26Å |
| 561 | N | 58.4 | Low | 46.5 | Very low | 49 Ų | 49 | 119 Ų | 119 | 26% | 0.262 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 111.4 | 178 | -177.2 | -10 | 0 | 0 | 0 | 109.3 | E563 T564 G565 H566 E568 | N561-E563 VanDerWaalsContact C-N 3.26Å; N561-E563 PolarHBondContact O-N 3.02Å; N561-E563 PolarHBondContact OD1-N 3.04Å; N561-T564 VanDerWaalsContact CB-OG1 3.3Å; N561-T564 WeakPolarHBondContact CB-OG1 3.36Å; N561-T564 PolarHBondContact ND2-OG1 3.31Å; N561-T564 PolarHBondContact O-N 3.04Å; N561-G565 PolarHBondContact O-N 2.74Å; N561-H566 PolarHBondContact N-O 3.45Å; N561-E568 WeakPolarHBondContact CB-OE1 3.46Å; N561-E568 PolarHBondContact ND2-OE1 2.82Å |
| 562 | Q | 41.4 | Very low | 46.8 | Very low | 174 Ų | 174 | 114.8 Ų | 114.8 | 81% | 0.813 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -17.7 | -174.2 | -66 | -172.3 | 3.1 | 0 | 0 | 113.6 | F560 | F560-Q562 HydrophobicContact CD1-CG 4Å; F560-Q562 HydrophobicContact CE1-CG 4.14Å |
| 563 | E | 43.9 | Very low | 46.8 | Very low | 189 Ų | 189 | 114.3 Ų | 114.3 | 88% | 0.883 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -30 | 179 | -61.5 | -172.5 | 165.5 | 0 | 0 | 112.4 | N561 | N561-E563 VanDerWaalsContact C-N 3.26Å; N561-E563 PolarHBondContact O-N 3.02Å; N561-E563 PolarHBondContact OD1-N 3.04Å |
| 564 | T | 59 | Low | 46.8 | Very low | 79 Ų | 79 | 113.2 Ų | 113.2 | 49% | 0.485 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.6 | -15.2 | 177.8 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | N561 H566 E568 | N561-T564 VanDerWaalsContact CB-OG1 3.3Å; N561-T564 WeakPolarHBondContact CB-OG1 3.36Å; N561-T564 PolarHBondContact ND2-OG1 3.31Å; N561-T564 PolarHBondContact O-N 3.04Å; T564-H566 VanDerWaalsContact C-N 3.27Å; T564-H566 PolarHBondContact O-N 2.81Å; T564-E568 PolarHBondContact OG1-OE1 2.96Å |
| 565 | G | 49.4 | Very low | 46.4 | Very low | 41 Ų | 41 | 109 Ų | 109 | 42% | 0.423 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 71.8 | 17 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N561 | N561-G565 PolarHBondContact O-N 2.74Š|
| 566 | H | 45.5 | Very low | 46 | Very low | 138 Ų | 138 | 116.9 Ų | 116.9 | 64% | 0.639 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127 | 162.9 | -175 | -72.9 | -7.2 | 0 | 0 | 0 | 112.6 | N561 T564 | N561-H566 PolarHBondContact N-O 3.45Å; T564-H566 VanDerWaalsContact C-N 3.27Å; T564-H566 PolarHBondContact O-N 2.81Å |
| 567 | W | 52.3 | Low | 45 | Very low | 175 Ų | 175 | 117.5 Ų | 117.5 | 66% | 0.663 | 61% | 0.607 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.4 | 112.5 | -179.2 | -76.5 | 96.5 | 0 | 0 | 0 | 110.4 | V558 A559 F560 | V558-W567 HydrophobicContact CB-CE3 4.22Å; V558-W567 HydrophobicContact CG1-CB 3.83Å; V558-W567 HydrophobicContact CG1-CE3 4.01Å; A559-W567 WeakPolarHBondContact O-CA 3.39Å; F560-W567 HydrophobicContact CB-CD2 3.97Å; F560-W567 HydrophobicContact CB-CE3 3.85Å; F560-W567 HydrophobicContact CB-CH2 3.82Å; F560-W567 HydrophobicContact CB-CZ2 3.91Å; F560-W567 HydrophobicContact CB-CZ3 3.78Å; F560-W567 AromaticContact CD2-CD1 3.81Å; F560-W567 AromaticContact CD2-CD2 3.89Å; F560-W567 HydrophobicContact CD2-CD2 3.89Å; F560-W567 AromaticContact CD2-CE2 3.63Å; F560-W567 HydrophobicContact CD2-CG 4.02Å; F560-W567 HydrophobicContact CD2-CZ2 4.16Å; F560-W567 AromaticContact CD2-NE1 3.54Å; F560-W567 HydrophobicContact CG-CD2 4.41Å; F560-W567 HydrophobicContact CG-CZ2 4.26Å |
| 568 | E | 57.6 | Low | 43.6 | Very low | 94 Ų | 94 | 119.2 Ų | 119.2 | 44% | 0.439 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.8 | -175.2 | -67.4 | 171.7 | -148.8 | 0 | 0 | 110.6 | V558 A559 N561 T564 | V558-E568 CarbonylContact C-O 3.55Å; V558-E568 WeakPolarHBondContact CA-O 3.28Å; V558-E568 VanDerWaalsContact CG1-O 3.28Å; V558-E568 WeakPolarHBondContact CG1-O 3.47Å; A559-E568 PolarHBondContact N-O 2.77Å; A559-E568 PolarHBondContact O-N 3.3Å; N561-E568 WeakPolarHBondContact CB-OE1 3.46Å; N561-E568 PolarHBondContact ND2-OE1 2.82Å; T564-E568 PolarHBondContact OG1-OE1 2.96Å |
| 569 | R | 44.1 | Very low | 42.3 | Very low | 180 Ų | 180 | 121.5 Ų | 121.5 | 68% | 0.679 | 64% | 0.639 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 132.8 | -177.9 | -70.1 | -179.2 | 177.5 | 139.9 | 0.9 | 111 | T555 V558 Y571 | T555-R569 HydrophobicContact CG2-CB 4.49Å; V558-R569 HydrophobicContact CG1-CG 4.08Å; V558-R569 HydrophobicContact CG2-CG 4.23Å; R569-Y571 HydrophobicContact CB-CE2 4.29Å |
| 570 | I | 50 | Low | 41.3 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 49% | 0.487 | 66% | 0.663 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.9 | -177.7 | -56.8 | 178 | 0 | 0 | 0 | 110.4 | V556 G557 A559 | V556-I570 PolarHBondContact N-O 3.32Å; V556-I570 VanDerWaalsContact N-O 3.1Å; G557-I570 PolarHBondContact O-N 3.3Å; A559-I570 HydrophobicContact CB-CD1 3.91Å |
| 571 | Y | 42.2 | Very low | 39.6 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 42% | 0.424 | 68% | 0.681 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.8 | 147.5 | 174.9 | -60.7 | -95 | 0 | 0 | 0 | 109.9 | E553 T555 R569 | E553-Y571 HydrophobicContact CB-CD1 4Å; E553-Y571 HydrophobicContact CB-CE1 4.2Å; T555-Y571 HydrophobicContact CG2-CD1 3.96Å; T555-Y571 HydrophobicContact CG2-CE1 3.3Å; T555-Y571 HydrophobicContact CG2-CE2 4.26Å; T555-Y571 VanDerWaalsContact CG2-CZ 3.48Å; R569-Y571 HydrophobicContact CB-CE2 4.29Å |
| 572 | T | 36.8 | Very low | 38.2 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 64% | 0.644 | 71% | 0.706 | S | S | * | * | trans | -99.5 | 103.3 | -177.6 | 52.3 | 0 | 0 | 0 | 0 | 111.8 | V556 | V556-T572 HydrophobicContact CB-CG2 4.23Å; V556-T572 HydrophobicContact CG2-CG2 3.81Å | ||
| 573 | Q | 31.8 | Very low | 37.5 | Very low | 182 Ų | 182 | 131.9 Ų | 131.9 | 85% | 0.85 | 70% | 0.702 | S | S | * | * | trans | -81.1 | 134.7 | 167.8 | -72.1 | -170.2 | -12 | 0 | 0 | 111.4 | ||||
| 574 | S | 31 | Very low | 36.8 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 83% | 0.825 | 70% | 0.698 | S | S | * | * | trans | -94.3 | 101.6 | 175 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | R576 | S574-R576 PolarHBondContact O-N 2.73Š| ||
| 575 | S | 30.6 | Very low | 35.2 | Very low | 127 Ų | 127 | 132 Ų | 132 | 89% | 0.888 | 72% | 0.718 | S | S | * | * | trans | -73.4 | 110.1 | 176.2 | 50 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 576 | R | 28.2 | Very low | 34.2 | Very low | 243 Ų | 243 | 138.4 Ų | 138.4 | 92% | 0.917 | 74% | 0.737 | S | S | * | * | trans | -96.7 | 134.5 | 173 | -164.1 | 176.5 | -173.6 | -179.2 | 1.4 | 109.4 | S574 | S574-R576 PolarHBondContact O-N 2.73Š| ||
| 577 | S | 28.7 | Very low | 33.2 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | -70.3 | 140.4 | 178.9 | -172 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 578 | G | 27.8 | Very low | 32 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | -159.1 | 151.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 579 | T | 25.9 | Very low | 30.5 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | -130 | 140.4 | -158.3 | 48 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 580 | V | 24.6 | Very low | 30.2 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | 72.3 | 144.2 | 164 | -179.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 581 | S | 23.4 | Very low | 29.6 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | cis | -128.7 | -178.4 | 31.9 | -47.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 582 | Q | 28.2 | Very low | 28.8 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -120 | -165.7 | -172.4 | -170.6 | 175.9 | -58.1 | 0 | 0 | 110.7 | ||||
| 583 | E | 27.2 | Very low | 28.6 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 72% | 0.724 | 82% | 0.815 | S | S | * | * | trans | 78.2 | 92.9 | 170.2 | -72.4 | 85.3 | -114 | 0 | 0 | 120.6 | ||||
| 584 | A | 28.3 | Very low | 28.7 | Very low | 97 Ų | 97 | 143 Ų | 143 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | 176.7 | 128.3 | 134.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 585 | L | 26.8 | Very low | 29.2 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | cis | -142.6 | 165.5 | 5.7 | -98.4 | 157.2 | 0 | 0 | 0 | 110.2 | ||||
| 586 | H | 26.7 | Very low | 29.6 | Very low | 176 Ų | 176 | 147.9 Ų | 147.9 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | trans | -84.6 | 156.2 | 177.6 | -78.5 | -115.2 | 0 | 0 | 0 | 113.4 | ||||
| 587 | Q | 26.1 | Very low | 30.1 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | -163.1 | 133 | 110.3 | -108.5 | 178.6 | -34.8 | 0 | 0 | 115.4 | |||||
| 588 | D | 25.5 | Very low | 30.7 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | 69 | 159.8 | 151.7 | -53.5 | -18.1 | 0 | 0 | 0 | 122.7 | ||||
| 589 | M | 26.5 | Very low | 31.6 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -137.1 | 169.2 | -152 | -85.2 | -71.9 | -80.2 | 0 | 0 | 109.5 | E591 | M589-E591 HydrophobicContact CE-CG 3.63Š| ||
| 590 | P | 38.3 | Very low | 32.3 | Very low | 126 Ų | 126 | 145 Ų | 145 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | cis | -139.1 | -167.7 | 32.3 | 42.2 | -21.4 | 0 | 0 | 0 | 116.9 | ||||
| 591 | E | 36.5 | Very low | 33.4 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -85.3 | 146.5 | -167.4 | -48.4 | 174.1 | 124.9 | 0 | 0 | 114.7 | M589 | M589-E591 HydrophobicContact CE-CG 3.63Š| ||
| 592 | E | 26.7 | Very low | 34.6 | Very low | 200 Ų | 200 | 147.1 Ų | 147.1 | 94% | 0.935 | 75% | 0.75 | S | S | * | * | trans | -151.1 | 154.8 | 142.5 | -149.6 | 170.5 | -144.2 | 0 | 0 | 110.2 | ||||
| 593 | S | 32.4 | Very low | 35.6 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -108.1 | 134.3 | -161.2 | 57.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 594 | S | 34.6 | Very low | 36.5 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | trans | -158 | 124.2 | 158.6 | 54 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 595 | E | 39.9 | Very low | 37.2 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | trans | -87.2 | -8.2 | -174.2 | -61.2 | -174 | 165 | 0 | 0 | 114.1 | ||||
| 596 | E | 40.1 | Very low | 38.3 | Very low | 164 Ų | 164 | 132.5 Ų | 132.5 | 77% | 0.766 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -74.1 | -30.8 | -166.8 | -64.1 | -155.9 | 109.2 | 0 | 0 | 114.9 | S598 L599 | E596-S598 VanDerWaalsContact C-N 3.27Å; E596-S598 PolarHBondContact O-N 3.41Å; E596-L599 PolarHBondContact O-N 2.92Å |
| 597 | D | 39 | Very low | 39.9 | Very low | 91 Ų | 91 | 129.6 Ų | 129.6 | 49% | 0.487 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -75.1 | -17.3 | -168.8 | -146.8 | 36.3 | 0 | 0 | 0 | 113.3 | L599 R600 | D597-L599 PolarHBondContact O-N 3.14Å; D597-R600 PolarHBondContact O-N 2.65Å |
| 598 | S | 40.6 | Very low | 41.1 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -61.3 | -27.9 | 171.9 | -69.9 | 0 | 0 | 0 | 0 | 113.1 | E596 R600 | E596-S598 VanDerWaalsContact C-N 3.27Å; E596-S598 PolarHBondContact O-N 3.41Å; S598-R600 VanDerWaalsContact C-N 3.28Å; S598-R600 PolarHBondContact O-N 2.81Å |
| 599 | L | 45.7 | Very low | 42.4 | Very low | 97 Ų | 97 | 124.8 Ų | 124.8 | 51% | 0.508 | 65% | 0.652 | S | S | . | * | G | 310 helix | trans | -75.5 | -14 | -178.2 | -68.4 | 171.6 | 0 | 0 | 0 | 113.6 | E596 D597 L602 | E596-L599 PolarHBondContact O-N 2.92Å; D597-L599 PolarHBondContact O-N 3.14Å; L599-L602 HydrophobicContact CD2-CD1 4.37Å |
| 600 | R | 41.6 | Very low | 43.6 | Very low | 212 Ų | 212 | 121.1 Ų | 121.1 | 80% | 0.8 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -88 | -6.3 | -178.1 | -70.2 | -176 | 173.3 | 176.9 | 1.5 | 114.7 | D597 S598 | D597-R600 PolarHBondContact O-N 2.65Å; S598-R600 VanDerWaalsContact C-N 3.28Å; S598-R600 PolarHBondContact O-N 2.81Å |
| 601 | R | 47.4 | Very low | 44.7 | Very low | 219 Ų | 219 | 122.5 Ų | 122.5 | 83% | 0.826 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -103.7 | 7.2 | 179 | -58.4 | -171 | -171.6 | -173.2 | 4.6 | 114.2 | ||
| 602 | L | 49 | Very low | 45.6 | Very low | 82 Ų | 82 | 120.2 Ų | 120.2 | 43% | 0.429 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -88.7 | 138.2 | 178.4 | -70.4 | 173.2 | 0 | 0 | 0 | 111.7 | L599 A606 | L599-L602 HydrophobicContact CD2-CD1 4.37Å; L602-A606 HydrophobicContact CB-CB 4.08Å; L602-A606 HydrophobicContact CD2-CB 4.16Å |
| 603 | S | 48.3 | Very low | 47.5 | Very low | 71 Ų | 71 | 116.2 Ų | 116.2 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | trans | -65.6 | 157.8 | 177.2 | 69.6 | 0 | 0 | 0 | 0 | 111.7 | A605 A606 Y607 | S603-A605 PolarHBondContact O-N 2.88Å; S603-A605 VanDerWaalsContact O-N 3.12Å; S603-A606 WeakPolarHBondContact O-CA 3.27Å; S603-A606 WeakPolarHBondContact O-CB 3.45Å; S603-A606 PolarHBondContact O-N 3.23Å; S603-Y607 PolarHBondContact O-N 2.89Å | ||
| 604 | P | 47.4 | Very low | 49 | Very low | 107 Ų | 107 | 115.9 Ų | 115.9 | 70% | 0.695 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -54.8 | -36.1 | -178.1 | -28.8 | 36.1 | 0 | 0 | 0 | 113.8 | Y607 Y608 | P604-Y607 PolarHBondContact O-N 2.95Å; P604-Y608 WeakPolarHBondContact O-CD2 3.22Å; P604-Y608 PolarHBondContact O-N 3.25Å |
| 605 | A | 43.1 | Very low | 50.1 | Low | 75 Ų | 75 | 118.9 Ų | 118.9 | 62% | 0.62 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | S603 Y608 A609 | S603-A605 PolarHBondContact O-N 2.88Å; S603-A605 VanDerWaalsContact O-N 3.12Å; A605-Y608 PolarHBondContact O-N 2.83Å; A605-A609 WeakPolarHBondContact O-CB 3.33Å; A605-A609 PolarHBondContact O-N 3.06Å |
| 606 | A | 48 | Very low | 51 | Low | 33 Ų | 33 | 114 Ų | 114 | 27% | 0.273 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.1 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L602 S603 Y608 A609 Q610 | L602-A606 HydrophobicContact CB-CB 4.08Å; L602-A606 HydrophobicContact CD2-CB 4.16Å; S603-A606 WeakPolarHBondContact O-CA 3.27Å; S603-A606 WeakPolarHBondContact O-CB 3.45Å; S603-A606 PolarHBondContact O-N 3.23Å; A606-Y608 PolarHBondContact O-N 2.81Å; A606-A609 PolarHBondContact O-N 2.97Å; A606-Q610 WeakPolarHBondContact O-CB 3.36Å; A606-Q610 PolarHBondContact O-N 2.82Å |
| 607 | Y | 61.3 | Low | 52.1 | Low | 115 Ų | 115 | 109.9 Ų | 109.9 | 45% | 0.451 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 173.6 | -179.3 | -96.5 | 0 | 0 | 0 | 112.2 | S603 P604 Q610 R611 | S603-Y607 PolarHBondContact O-N 2.89Å; P604-Y607 PolarHBondContact O-N 2.95Å; Y607-Q610 PolarHBondContact O-N 2.91Å; Y607-R611 PolarHBondContact O-N 3.41Å; Y607-R611 PolarHBondContact OH-NE 3.19Å |
| 608 | Y | 50.4 | Low | 53.1 | Low | 166 Ų | 166 | 113.7 Ų | 113.7 | 65% | 0.651 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.9 | -40.8 | 175.3 | -93.2 | -84 | 0 | 0 | 0 | 112.7 | P604 A605 A606 R611 M612 | P604-Y608 WeakPolarHBondContact O-CD2 3.22Å; P604-Y608 PolarHBondContact O-N 3.25Å; A605-Y608 PolarHBondContact O-N 2.83Å; A606-Y608 PolarHBondContact O-N 2.81Å; Y608-R611 PolarHBondContact O-N 2.9Å; Y608-M612 PolarHBondContact O-N 2.96Å |
| 609 | A | 53.8 | Low | 53.8 | Low | 40 Ų | 40 | 115.2 Ų | 115.2 | 33% | 0.331 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A605 A606 R611 M612 I613 | A605-A609 WeakPolarHBondContact O-CB 3.33Å; A605-A609 PolarHBondContact O-N 3.06Å; A606-A609 PolarHBondContact O-N 2.97Å; A609-R611 PolarHBondContact O-N 2.9Å; A609-M612 WeakPolarHBondContact O-CB 3.37Å; A609-M612 PolarHBondContact O-N 3.27Å; A609-M612 VanDerWaalsContact O-N 3.15Å; A609-I613 VanDerWaalsContact O-CG1 3.3Å; A609-I613 WeakPolarHBondContact O-CG1 3.4Å; A609-I613 PolarHBondContact O-N 2.83Å |
| 610 | Q | 51.7 | Low | 54 | Low | 72 Ų | 72 | 113.6 Ų | 113.6 | 34% | 0.336 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | 178.9 | -159.1 | 173.2 | 19.9 | 0 | 0 | 111.8 | A606 Y607 I613 Q614 | A606-Q610 WeakPolarHBondContact O-CB 3.36Å; A606-Q610 PolarHBondContact O-N 2.82Å; Y607-Q610 PolarHBondContact O-N 2.91Å; Q610-I613 PolarHBondContact O-N 3.47Å; Q610-Q614 WeakPolarHBondContact O-CG 3.46Å; Q610-Q614 PolarHBondContact O-N 3.2Å |
| 611 | R | 62.3 | Low | 55.1 | Low | 155 Ų | 155 | 105.4 Ų | 105.4 | 59% | 0.585 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.6 | -37.8 | 170.6 | -98.3 | -170.2 | 167.8 | -157.5 | -1.9 | 113.4 | Y607 Y608 A609 Q614 Y615 | Y607-R611 PolarHBondContact O-N 3.41Å; Y607-R611 PolarHBondContact OH-NE 3.19Å; Y608-R611 PolarHBondContact O-N 2.9Å; A609-R611 PolarHBondContact O-N 2.9Å; R611-Q614 PolarHBondContact O-N 3Å; R611-Y615 WeakPolarHBondContact O-CB 3.42Å; R611-Y615 PolarHBondContact O-N 2.84Å |
| 612 | M | 53.8 | Low | 55.8 | Low | 124 Ų | 124 | 100.3 Ų | 100.3 | 61% | 0.611 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.4 | -43.4 | 171.9 | -75.8 | -156.5 | -60.6 | 0 | 0 | 111.7 | Y608 A609 Q614 Y615 L616 | Y608-M612 PolarHBondContact O-N 2.96Å; A609-M612 WeakPolarHBondContact O-CB 3.37Å; A609-M612 PolarHBondContact O-N 3.27Å; A609-M612 VanDerWaalsContact O-N 3.15Å; M612-Q614 PolarHBondContact O-N 3.41Å; M612-Y615 PolarHBondContact O-N 2.96Å; M612-Y615 VanDerWaalsContact O-N 3.16Å; M612-L616 WeakPolarHBondContact O-CB 3.46Å; M612-L616 WeakPolarHBondContact O-CG 3.41Å; M612-L616 PolarHBondContact O-N 3.21Å |
| 613 | I | 68.2 | Low | 56.1 | Low | 116 Ų | 116 | 102.4 Ų | 102.4 | 60% | 0.595 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 176.9 | -68.3 | 162.3 | 0 | 0 | 0 | 110.4 | A609 Q610 Y615 L616 S617 | A609-I613 VanDerWaalsContact O-CG1 3.3Å; A609-I613 WeakPolarHBondContact O-CG1 3.4Å; A609-I613 PolarHBondContact O-N 2.83Å; Q610-I613 PolarHBondContact O-N 3.47Å; I613-Y615 PolarHBondContact O-N 2.99Å; I613-L616 PolarHBondContact O-N 2.78Å; I613-S617 WeakPolarHBondContact O-CB 3.43Å; I613-S617 PolarHBondContact O-N 2.59Å |
| 614 | Q | 62.1 | Low | 56.2 | Low | 107 Ų | 107 | 104.7 Ų | 104.7 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 173.1 | -74.8 | -174.1 | -1.4 | 0 | 0 | 113 | Q610 R611 M612 R618 | Q610-Q614 WeakPolarHBondContact O-CG 3.46Å; Q610-Q614 PolarHBondContact O-N 3.2Å; R611-Q614 PolarHBondContact O-N 3Å; M612-Q614 PolarHBondContact O-N 3.41Å; Q614-R618 VanDerWaalsContact O-CB 3.28Å; Q614-R618 WeakPolarHBondContact O-CB 3.38Å; Q614-R618 PolarHBondContact O-N 3.11Å |
| 615 | Y | 59.1 | Low | 56.2 | Low | 170 Ų | 170 | 107.3 Ų | 107.3 | 67% | 0.667 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68 | -43.9 | 177.9 | -175.5 | -93 | 0 | 0 | 0 | 112.1 | R611 M612 I613 R618 R619 | R611-Y615 WeakPolarHBondContact O-CB 3.42Å; R611-Y615 PolarHBondContact O-N 2.84Å; M612-Y615 PolarHBondContact O-N 2.96Å; M612-Y615 VanDerWaalsContact O-N 3.16Å; I613-Y615 PolarHBondContact O-N 2.99Å; Y615-R618 PolarHBondContact O-N 3.06Å; Y615-R619 WeakPolarHBondContact O-CB 3.16Å; Y615-R619 PolarHBondContact O-N 3.4Å |
| 616 | L | 58.7 | Low | 56.5 | Low | 80 Ų | 80 | 107 Ų | 107 | 42% | 0.419 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 175.5 | -68.3 | 171.7 | 0 | 0 | 0 | 111.3 | M612 I613 R618 R619 D620 | M612-L616 WeakPolarHBondContact O-CB 3.46Å; M612-L616 WeakPolarHBondContact O-CG 3.41Å; M612-L616 PolarHBondContact O-N 3.21Å; I613-L616 PolarHBondContact O-N 2.78Å; L616-R618 VanDerWaalsContact C-N 3.3Å; L616-R618 PolarHBondContact O-N 2.94Å; L616-R619 WeakPolarHBondContact O-CB 3.48Å; L616-R619 PolarHBondContact O-N 2.9Å; L616-R619 VanDerWaalsContact O-N 3.1Å; L616-D620 PolarHBondContact O-N 2.77Å |
| 617 | S | 63.6 | Low | 56.4 | Low | 79 Ų | 79 | 110.5 Ų | 110.5 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.3 | -42.2 | 172 | 175.6 | 0 | 0 | 0 | 0 | 112 | I613 D620 S621 | I613-S617 WeakPolarHBondContact O-CB 3.43Å; I613-S617 PolarHBondContact O-N 2.59Å; S617-D620 PolarHBondContact O-N 3.41Å; S617-S621 VanDerWaalsContact O-CB 3.24Å; S617-S621 WeakPolarHBondContact O-CB 3.48Å; S617-S621 PolarHBondContact O-N 2.75Å |
| 618 | R | 59.8 | Low | 55.6 | Low | 170 Ų | 170 | 113.2 Ų | 113.2 | 64% | 0.642 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67 | -38.9 | 175.7 | -159.3 | 177.4 | -60.5 | -165.2 | 1.3 | 112.1 | Q614 Y615 L616 S621 I622 | Q614-R618 VanDerWaalsContact O-CB 3.28Å; Q614-R618 WeakPolarHBondContact O-CB 3.38Å; Q614-R618 PolarHBondContact O-N 3.11Å; Y615-R618 PolarHBondContact O-N 3.06Å; L616-R618 VanDerWaalsContact C-N 3.3Å; L616-R618 PolarHBondContact O-N 2.94Å; R618-S621 PolarHBondContact O-N 2.86Å; R618-I622 WeakPolarHBondContact O-CD1 3.5Å; R618-I622 VanDerWaalsContact O-CG1 3.3Å; R618-I622 WeakPolarHBondContact O-CG1 3.27Å; R618-I622 PolarHBondContact O-N 3.39Å |
| 619 | R | 55.1 | Low | 55.2 | Low | 129 Ų | 129 | 114.2 Ų | 114.2 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 174.8 | -176.1 | -173.3 | -172.6 | -171.4 | 5 | 112.2 | Y615 L616 I622 R623 | Y615-R619 WeakPolarHBondContact O-CB 3.16Å; Y615-R619 PolarHBondContact O-N 3.4Å; L616-R619 WeakPolarHBondContact O-CB 3.48Å; L616-R619 PolarHBondContact O-N 2.9Å; L616-R619 VanDerWaalsContact O-N 3.1Å; R619-I622 PolarHBondContact O-N 3.23Å; R619-R623 PolarHBondContact O-N 2.86Å; R619-R623 VanDerWaalsContact O-N 3.09Å |
| 620 | D | 49.7 | Very low | 54.7 | Low | 63 Ų | 63 | 118.4 Ų | 118.4 | 34% | 0.337 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -78.4 | -28 | 178.7 | -70.4 | -39.8 | 0 | 0 | 0 | 112.3 | L616 S617 I622 R623 Q624 | L616-D620 PolarHBondContact O-N 2.77Å; S617-D620 PolarHBondContact O-N 3.41Å; D620-I622 VanDerWaalsContact C-N 3.33Å; D620-I622 PolarHBondContact O-N 3.04Å; D620-R623 PolarHBondContact O-N 3.24Å; D620-R623 WeakPolarHBondContact OD1-CD 3.35Å; D620-R623 IonicContact OD1-CZ 3.67Å; D620-R623 IonicContact OD1-NE 3.28Å; D620-R623 IonicContact OD1-NH1 3.57Å; D620-R623 PolarHBondContact OD1-NH1 3.42Å; D620-Q624 WeakPolarHBondContact O-CB 3.48Å; D620-Q624 VanDerWaalsContact O-CG 3.29Å; D620-Q624 WeakPolarHBondContact O-CG 3.48Å; D620-Q624 PolarHBondContact O-N 3.26Å |
| 621 | S | 65.1 | Low | 54.3 | Low | 41 Ų | 41 | 120.8 Ų | 120.8 | 29% | 0.287 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 165.2 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | S617 R618 Q624 R625 | S617-S621 VanDerWaalsContact O-CB 3.24Å; S617-S621 WeakPolarHBondContact O-CB 3.48Å; S617-S621 PolarHBondContact O-N 2.75Å; R618-S621 PolarHBondContact O-N 2.86Å; S621-Q624 PolarHBondContact O-N 3.34Å; S621-R625 WeakPolarHBondContact O-CB 3.42Å; S621-R625 PolarHBondContact O-N 3.43Å |
| 622 | I | 61.9 | Low | 53.2 | Low | 111 Ų | 111 | 119.9 Ų | 119.9 | 57% | 0.569 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64 | -44.8 | 174.3 | -70.4 | 162.4 | 0 | 0 | 0 | 110.8 | R618 R619 D620 R625 S626 | R618-I622 WeakPolarHBondContact O-CD1 3.5Å; R618-I622 VanDerWaalsContact O-CG1 3.3Å; R618-I622 WeakPolarHBondContact O-CG1 3.27Å; R618-I622 PolarHBondContact O-N 3.39Å; R619-I622 PolarHBondContact O-N 3.23Å; D620-I622 VanDerWaalsContact C-N 3.33Å; D620-I622 PolarHBondContact O-N 3.04Å; I622-R625 PolarHBondContact O-N 2.93Å; I622-S626 PolarHBondContact O-N 2.95Å |
| 623 | R | 54.4 | Low | 52.5 | Low | 127 Ų | 127 | 123.2 Ų | 123.2 | 48% | 0.479 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.3 | -47.1 | 174.9 | -73.4 | 159 | 154.6 | -176.2 | -8.4 | 112.1 | R619 D620 R625 S626 M627 | R619-R623 PolarHBondContact O-N 2.86Å; R619-R623 VanDerWaalsContact O-N 3.09Å; D620-R623 PolarHBondContact O-N 3.24Å; D620-R623 WeakPolarHBondContact OD1-CD 3.35Å; D620-R623 IonicContact OD1-CZ 3.67Å; D620-R623 IonicContact OD1-NE 3.28Å; D620-R623 IonicContact OD1-NH1 3.57Å; D620-R623 PolarHBondContact OD1-NH1 3.42Å; R623-R625 VanDerWaalsContact C-N 3.29Å; R623-R625 PolarHBondContact O-N 2.86Å; R623-S626 WeakPolarHBondContact CA-OG 3.23Å; R623-S626 PolarHBondContact O-N 2.99Å; R623-S626 PolarHBondContact O-OG 2.73Å; R623-M627 WeakPolarHBondContact O-CG 3.3Å; R623-M627 PolarHBondContact O-N 3.24Å |
| 624 | Q | 51.4 | Low | 51.1 | Low | 118 Ų | 118 | 123 Ų | 123 | 55% | 0.551 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.1 | -37.3 | 175 | -72.9 | 177 | 6.9 | 0 | 0 | 111.8 | D620 S621 M627 R628 | D620-Q624 WeakPolarHBondContact O-CB 3.48Å; D620-Q624 VanDerWaalsContact O-CG 3.29Å; D620-Q624 WeakPolarHBondContact O-CG 3.48Å; D620-Q624 PolarHBondContact O-N 3.26Å; S621-Q624 PolarHBondContact O-N 3.34Å; Q624-M627 PolarHBondContact O-N 3.38Å; Q624-R628 WeakPolarHBondContact O-CG 3.29Å; Q624-R628 PolarHBondContact O-N 3.2Å |
| 625 | R | 46.1 | Very low | 49.9 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 61% | 0.611 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.9 | -40.1 | 175.4 | -148.4 | 173.6 | -60.6 | -149.5 | 2.2 | 111.5 | S621 I622 R623 R628 Y629 | S621-R625 WeakPolarHBondContact O-CB 3.42Å; S621-R625 PolarHBondContact O-N 3.43Å; I622-R625 PolarHBondContact O-N 2.93Å; R623-R625 VanDerWaalsContact C-N 3.29Å; R623-R625 PolarHBondContact O-N 2.86Å; R625-R628 PolarHBondContact O-N 3.17Å; R625-Y629 PolarHBondContact O-N 3.24Å |
| 626 | S | 49.8 | Very low | 48.5 | Very low | 69 Ų | 69 | 125.5 Ų | 125.5 | 48% | 0.483 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.6 | -37.2 | 171.9 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | I622 R623 Y629 Q630 | I622-S626 PolarHBondContact O-N 2.95Å; R623-S626 WeakPolarHBondContact CA-OG 3.23Å; R623-S626 PolarHBondContact O-N 2.99Å; R623-S626 PolarHBondContact O-OG 2.73Å; S626-Y629 PolarHBondContact O-N 3.18Å; S626-Q630 PolarHBondContact O-N 3.16Å |
| 627 | M | 46.2 | Very low | 47.1 | Very low | 106 Ų | 106 | 126 Ų | 126 | 52% | 0.522 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.8 | -41.1 | 175.7 | -70.1 | -66.7 | -71.6 | 0 | 0 | 111.9 | R623 Q624 Y629 Q630 Q631 | R623-M627 WeakPolarHBondContact O-CG 3.3Å; R623-M627 PolarHBondContact O-N 3.24Å; Q624-M627 PolarHBondContact O-N 3.38Å; M627-Y629 VanDerWaalsContact C-N 3.32Å; M627-Y629 PolarHBondContact O-N 1.82Å; M627-Q630 PolarHBondContact O-N 2.78Å; M627-Q630 VanDerWaalsContact O-N 3.1Å; M627-Q631 PolarHBondContact O-N 2.92Å |
| 628 | R | 45.1 | Very low | 45.5 | Very low | 172 Ų | 172 | 129.3 Ų | 129.3 | 65% | 0.649 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.6 | -36.7 | 174.7 | -73 | -179 | -177.7 | -172.9 | 1.8 | 112.4 | Q624 R625 Q630 Q631 N632 | Q624-R628 WeakPolarHBondContact O-CG 3.29Å; Q624-R628 PolarHBondContact O-N 3.2Å; R625-R628 PolarHBondContact O-N 3.17Å; R628-Q630 VanDerWaalsContact C-N 3.32Å; R628-Q630 PolarHBondContact O-N 3.1Å; R628-Q631 PolarHBondContact O-N 2.85Å; R628-N632 PolarHBondContact O-N 3.02Å |
| 629 | Y | 42.2 | Very low | 44.1 | Very low | 187 Ų | 187 | 126.5 Ų | 126.5 | 73% | 0.733 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.6 | -31.6 | 172.4 | -98 | -83.1 | 0 | 0 | 0 | 113.4 | R625 S626 M627 | R625-Y629 PolarHBondContact O-N 3.24Å; S626-Y629 PolarHBondContact O-N 3.18Å; M627-Y629 VanDerWaalsContact C-N 3.32Å; M627-Y629 PolarHBondContact O-N 1.82Å |
| 630 | Q | 43 | Very low | 43 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 60% | 0.598 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.6 | -42.2 | 171 | -73.3 | -173.3 | -31.7 | 0 | 0 | 112.3 | S626 M627 R628 N632 R633 | S626-Q630 PolarHBondContact O-N 3.16Å; M627-Q630 PolarHBondContact O-N 2.78Å; M627-Q630 VanDerWaalsContact O-N 3.1Å; R628-Q630 VanDerWaalsContact C-N 3.32Å; R628-Q630 PolarHBondContact O-N 3.1Å; Q630-N632 PolarHBondContact O-N 3.48Å; Q630-R633 PolarHBondContact O-N 3.2Å |
| 631 | Q | 42.1 | Very low | 42 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 58% | 0.575 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62 | -41.9 | 179.7 | -74 | 176.4 | -54.5 | 0 | 0 | 112.7 | M627 R628 R633 L634 | M627-Q631 PolarHBondContact O-N 2.92Å; R628-Q631 PolarHBondContact O-N 2.85Å; Q631-R633 PolarHBondContact O-N 2.93Å; Q631-L634 PolarHBondContact O-N 2.89Å; Q631-L634 VanDerWaalsContact O-N 3.07Å |
| 632 | N | 38.8 | Very low | 40.3 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -17.6 | 177.7 | -83.6 | 10.6 | 0 | 0 | 0 | 114 | R628 Q630 L634 | R628-N632 PolarHBondContact O-N 3.02Å; Q630-N632 PolarHBondContact O-N 3.48Å; N632-L634 VanDerWaalsContact C-N 3.32Å |
| 633 | R | 39.1 | Very low | 39 | Very low | 193 Ų | 193 | 129.6 Ų | 129.6 | 73% | 0.728 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -9.3 | 173.8 | -114.4 | -176.4 | -177 | -149.2 | 0 | 113.9 | Q630 Q631 R684 | Q630-R633 PolarHBondContact O-N 3.2Å; Q631-R633 PolarHBondContact O-N 2.93Å; R633-R684 PolarHBondContact O-NH2 3.2Å |
| 634 | L | 38.9 | Very low | 37.8 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 59% | 0.592 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -106.2 | -4.1 | -172.6 | -87.7 | 158.9 | 0 | 0 | 0 | 114.8 | Q631 N632 F685 | Q631-L634 PolarHBondContact O-N 2.89Å; Q631-L634 VanDerWaalsContact O-N 3.07Å; N632-L634 VanDerWaalsContact C-N 3.32Å; L634-F685 HydrophobicContact CD2-CE1 3.7Å; L634-F685 HydrophobicContact CD2-CZ 3.57Å |
| 635 | R | 36.7 | Very low | 36.9 | Very low | 240 Ų | 240 | 130.1 Ų | 130.1 | 91% | 0.906 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -103.5 | 19.7 | -176.2 | -97.6 | -170.2 | 174.7 | -144 | -0.7 | 115.5 | ||
| 636 | S | 31.2 | Very low | 36.2 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 62% | 0.622 | 69% | 0.69 | S | S | * | * | trans | -139.4 | 68.8 | -175 | 67.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 637 | S | 29.1 | Very low | 35 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -164.8 | 53.6 | 161.8 | 59.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 638 | T | 29.1 | Very low | 35.4 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 92% | 0.92 | 71% | 0.714 | S | S | * | * | trans | -155.5 | 130.9 | 156.8 | 12.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 639 | S | 31.9 | Very low | 34.7 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | -94.2 | 178.4 | 177.7 | 59.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 640 | S | 30.6 | Very low | 34.5 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 66% | 0.664 | 71% | 0.714 | S | S | * | * | cis | -158.1 | 175.5 | 19.8 | -24.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 641 | S | 29.7 | Very low | 34.1 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | 74.4 | 155 | -178.9 | 79 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 642 | S | 29.3 | Very low | 33.7 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | cis | -171.1 | 157.6 | -12.5 | 36 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 643 | S | 33.5 | Very low | 33.3 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 66% | 0.657 | 73% | 0.732 | S | S | * | * | cis | -168 | -176.2 | -13.8 | 49.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 644 | D | 30.7 | Very low | 33 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 74.2 | 120.8 | 154.1 | -60.5 | -55.9 | 0 | 0 | 0 | 124.3 | ||||
| 645 | N | 32.2 | Very low | 32.7 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 66% | 0.658 | 74% | 0.738 | S | S | * | * | trans | 82.4 | 115.1 | 136.1 | -78.3 | -42.6 | 0 | 0 | 0 | 124.9 | ||||
| 646 | Q | 31.1 | Very low | 32.3 | Very low | 175 Ų | 175 | 118.1 Ų | 118.1 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | 75.9 | 142.8 | 131.3 | -64.3 | 174.5 | 37.2 | 0 | 0 | 121.7 | ||||
| 647 | G | 24.1 | Very low | 32.2 | Very low | 69 Ų | 69 | 121 Ų | 121 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | trans | -111.4 | -138.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 648 | P | 54.3 | Low | 32.2 | Very low | 121 Ų | 121 | 124 Ų | 124 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | cis | -140.8 | -156.4 | 7.1 | 42.4 | -22.1 | 0 | 0 | 0 | 114.8 | ||||
| 649 | S | 31.5 | Very low | 32.2 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | 86.1 | 149.3 | 153.3 | 91.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 650 | V | 38.7 | Very low | 31.9 | Very low | 106 Ų | 106 | 126 Ų | 126 | 64% | 0.642 | 72% | 0.724 | S | S | * | * | cis | -163.9 | 156.4 | -11.1 | 109.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 651 | E | 32.8 | Very low | 31.8 | Very low | 179 Ų | 179 | 129.5 Ų | 129.5 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | trans | 32 | 157.4 | 159.8 | -66.5 | 138.9 | -146.8 | 0 | 0 | 123.6 | ||||
| 652 | G | 33.7 | Very low | 31.7 | Very low | 58 Ų | 58 | 130.3 Ų | 130.3 | 60% | 0.598 | 73% | 0.725 | S | S | * | * | cis | 160.4 | 162.5 | -7.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 653 | T | 32 | Very low | 31.7 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 84% | 0.84 | 73% | 0.727 | S | S | * | * | trans | 60.2 | 150.6 | 157.8 | 52.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 654 | D | 31.2 | Very low | 31.4 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | cis | -173.5 | 169.6 | -33.7 | -123.3 | -37.2 | 0 | 0 | 0 | 111.4 | ||||
| 655 | L | 34.1 | Very low | 31.3 | Very low | 137 Ų | 137 | 132.8 Ų | 132.8 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | trans | 65.4 | 154.7 | 157.6 | -65.2 | 163.8 | 0 | 0 | 0 | 119.5 | ||||
| 656 | E | 28.4 | Very low | 31.2 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | -166.4 | 175 | -28.9 | -138.8 | 177.3 | -159.5 | 0 | 0 | 112.1 | ||||
| 657 | F | 28.3 | Very low | 31.3 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 65% | 0.654 | 74% | 0.742 | S | S | * | * | trans | 71.9 | 118.5 | 159.5 | -92.4 | -103.8 | 0 | 0 | 0 | 125.5 | ||||
| 658 | E | 29.7 | Very low | 31.5 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | trans | 54.9 | 112.1 | 130.7 | -76.2 | -176.4 | 179 | 0 | 0 | 126.3 | ||||
| 659 | D | 27.6 | Very low | 30.4 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | 82.9 | 149.6 | 114.3 | -94.5 | 33.1 | 0 | 0 | 0 | 127.6 | |||||
| 660 | F | 26.7 | Very low | 30.1 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | 83.6 | 117.1 | 161 | -99.1 | -105.7 | 0 | 0 | 0 | 124.1 | ||||
| 661 | E | 28.2 | Very low | 29.6 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | 60.8 | 123.9 | 143.1 | -79.9 | -178.4 | 163.1 | 0 | 0 | 126.4 | ||||
| 662 | D | 28.1 | Very low | 30.4 | Very low | 134 Ų | 134 | 147 Ų | 147 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | 93 | 147.7 | 134.2 | -149.7 | 40.4 | 0 | 0 | 0 | 123.7 | ||||
| 663 | N | 28.3 | Very low | 30.2 | Very low | 146 Ų | 146 | 156.2 Ų | 156.2 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | trans | 6.5 | 120.2 | 169.8 | -77.5 | -58.4 | 0 | 0 | 0 | 120.1 | ||||
| 664 | G | 26.9 | Very low | 30.3 | Very low | 79 Ų | 79 | 157.3 Ų | 157.3 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | -161.3 | 109.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 665 | D | 30 | Very low | 30.1 | Very low | 156 Ų | 156 | 155.2 Ų | 155.2 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -72.3 | 126.5 | 171.3 | -159.3 | -7.3 | 0 | 0 | 0 | 110.7 | ||||
| 666 | R | 30.1 | Very low | 30 | Very low | 227 Ų | 227 | 159.1 Ų | 159.1 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | 175.4 | 115.7 | 143.7 | -96.3 | 150.6 | -168.2 | -169.6 | 3.2 | 116.4 | ||||
| 667 | S | 31.6 | Very low | 29.8 | Very low | 92 Ų | 92 | 160.4 Ų | 160.4 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | 29.8 | 133.3 | 126.6 | 75.6 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 668 | R | 29.4 | Very low | 29.8 | Very low | 218 Ų | 218 | 159.1 Ų | 159.1 | 82% | 0.823 | 80% | 0.803 | S | S | * | * | trans | 86.7 | 108.9 | 148.8 | -67 | 175.5 | -177.4 | -167.5 | 1.3 | 120.3 | ||||
| 669 | H | 31 | Very low | 29.8 | Very low | 177 Ų | 177 | 156.3 Ų | 156.3 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | trans | 54 | 102.6 | 136 | -53.5 | -58.9 | 0 | 0 | 0 | 120 | ||||
| 670 | R | 25 | Very low | 30.7 | Very low | 256 Ų | 256 | 155.3 Ų | 155.3 | 97% | 0.966 | 81% | 0.807 | S | S | * | * | trans | -148.8 | 142.2 | 132.4 | -114.2 | 167.6 | -174.3 | 141.7 | -0.2 | 111.5 | ||||
| 671 | A | 29.3 | Very low | 30.7 | Very low | 91 Ų | 91 | 152.8 Ų | 152.8 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -131.1 | 170.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 672 | P | 49.3 | Very low | 30.8 | Very low | 118 Ų | 118 | 153 Ų | 153 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | cis | -121.6 | 171.4 | -43 | 36.6 | -25.6 | 0 | 0 | 0 | 110.4 | ||||
| 673 | R | 28.4 | Very low | 30.8 | Very low | 251 Ų | 251 | 150.1 Ų | 150.1 | 95% | 0.947 | 82% | 0.817 | S | S | * | * | trans | -147.4 | 127.9 | 160.4 | -124.6 | 171 | -174.7 | 160.1 | 1.8 | 112.6 | ||||
| 674 | N | 35.6 | Very low | 31 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -84.6 | 139.9 | 176.1 | -61.9 | -42.6 | 0 | 0 | 0 | 110.5 | ||||
| 675 | A | 26.8 | Very low | 30.8 | Very low | 93 Ų | 93 | 151.3 Ų | 151.3 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -106.2 | 110.2 | 152 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 676 | R | 30.6 | Very low | 30.8 | Very low | 220 Ų | 220 | 149.8 Ų | 149.8 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | 65.9 | 102.1 | 110.8 | -75 | -175.8 | 166.5 | 170.4 | -3.5 | 113.5 | |||||
| 677 | M | 24.8 | Very low | 31.3 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | 73.5 | 119.1 | 93 | -72.5 | 171.6 | 76.3 | 0 | 0 | 111.5 | |||||
| 678 | S | 28.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | -142 | 172.5 | 71.6 | 56.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 679 | A | 28.8 | Very low | 31.3 | Very low | 93 Ų | 93 | 148 Ų | 148 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -163.5 | -175.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 680 | P | 46.6 | Very low | 31.1 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | cis | -133.5 | 175.9 | -11.2 | 42 | -26.4 | 0 | 0 | 0 | 114.4 | ||||
| 681 | S | 27.7 | Very low | 31.1 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | 174.4 | 153.7 | 148.9 | 36 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 682 | L | 30.5 | Very low | 30.9 | Very low | 174 Ų | 174 | 145.9 Ų | 145.9 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | cis | -154.4 | 166.4 | -16.4 | -116 | 170.2 | 0 | 0 | 0 | 108.1 | ||||
| 683 | G | 27.5 | Very low | 30.5 | Very low | 72 Ų | 72 | 145.6 Ų | 145.6 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 92.7 | 141.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 684 | R | 31.9 | Very low | 30.4 | Very low | 136 Ų | 136 | 142 Ų | 142 | 51% | 0.513 | 76% | 0.761 | S | S | . | * | trans | -162.5 | 142.3 | -168.5 | -147.6 | 179.7 | -176.3 | -151.8 | -2.5 | 112.9 | R633 | R633-R684 PolarHBondContact O-NH2 3.2Š| ||
| 685 | F | 23.4 | Very low | 30 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 50% | 0.5 | 76% | 0.759 | S | S | . | * | trans | 68.9 | 140 | 171.6 | -56.3 | -57.4 | 0 | 0 | 0 | 116.6 | L634 | L634-F685 HydrophobicContact CD2-CE1 3.7Å; L634-F685 HydrophobicContact CD2-CZ 3.57Å | ||
| 686 | V | 30 | Very low | 30.6 | Very low | 124 Ų | 124 | 148 Ų | 148 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | cis | 79.1 | 130.2 | 36.3 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 687 | P | 41 | Very low | 30.5 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | cis | -148.9 | 177.6 | 38.1 | 31.8 | -6.4 | 0 | 0 | 0 | 121.2 | ||||
| 688 | R | 30.7 | Very low | 30.7 | Very low | 208 Ų | 208 | 145.2 Ų | 145.2 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | 76.6 | 116.6 | 139.1 | -83.2 | 164.9 | -173.8 | -166.9 | 3.2 | 124.1 | ||||
| 689 | R | 29.1 | Very low | 30.6 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | 85.3 | 136.5 | 120.9 | -79 | 177.8 | 174.2 | -169.4 | -2.7 | 123.1 | |||||
| 690 | F | 27.6 | Very low | 30.6 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 74% | 0.737 | 76% | 0.764 | S | S | * | * | trans | 63.4 | 102.5 | 146.9 | -69.7 | -52 | 0 | 0 | 0 | 121.2 | ||||
| 691 | L | 24.8 | Very low | 30.3 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | 164.4 | 142.5 | 103.2 | -93.7 | 158.3 | 0 | 0 | 0 | 114.1 | |||||
| 692 | L | 24.3 | Very low | 30.6 | Very low | 156 Ų | 156 | 147 Ų | 147 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | trans | 60.1 | 163.9 | 156.6 | -70.5 | 167.1 | 0 | 0 | 0 | 119.6 | ||||
| 693 | P | 42.4 | Very low | 30.7 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -110.7 | 118.8 | -164.4 | 36.9 | -25.8 | 0 | 0 | 0 | 114.3 | ||||
| 694 | E | 25.2 | Very low | 31.2 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -164.3 | 169.3 | 155.8 | -119.8 | 168.7 | -154.6 | 0 | 0 | 110.8 | ||||
| 695 | Y | 26.8 | Very low | 31.5 | Very low | 208 Ų | 208 | 158.4 Ų | 158.4 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | 61.2 | 106 | 178.2 | -71.4 | -83.2 | 0 | 0 | 0 | 119.3 | ||||
| 696 | L | 39.4 | Very low | 32.4 | Very low | 173 Ų | 173 | 157.1 Ų | 157.1 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -70.2 | 136.6 | 151.5 | -76 | 162.7 | 0 | 0 | 0 | 110.9 | ||||
| 697 | P | 29.3 | Very low | 32.6 | Very low | 121 Ų | 121 | 159.7 Ų | 159.7 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -106.4 | 127.7 | 157 | 33.8 | -26.2 | 0 | 0 | 0 | 111.8 | ||||
| 698 | Y | 29 | Very low | 32.4 | Very low | 216 Ų | 216 | 160 Ų | 160 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -87.9 | 112.6 | 174.6 | -138.5 | -97.9 | 0 | 0 | 0 | 109.3 | I701 | Y698-I701 HydrophobicContact CE1-CD1 3.88Š| ||
| 699 | A | 27.3 | Very low | 32.9 | Very low | 100 Ų | 100 | 152 Ų | 152 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -163.1 | 148.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 700 | G | 28.6 | Very low | 33.5 | Very low | 82 Ų | 82 | 150.2 Ų | 150.2 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | 108.4 | 4.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 701 | I | 40.1 | Very low | 34 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 56% | 0.559 | 79% | 0.787 | S | S | * | * | trans | -77.7 | 150.2 | 158.8 | -58.3 | 176.3 | 0 | 0 | 0 | 107.7 | Y698 | Y698-I701 HydrophobicContact CE1-CD1 3.88Š| ||
| 702 | F | 33.3 | Very low | 34.7 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | 79.2 | 102.4 | -173.3 | -48.6 | -69.1 | 0 | 0 | 0 | 115.1 | ||||
| 703 | H | 34.1 | Very low | 35.3 | Very low | 189 Ų | 189 | 139.7 Ų | 139.7 | 88% | 0.875 | 76% | 0.756 | S | S | * | * | trans | -115.2 | 150.5 | 146.3 | -115.7 | 51.1 | 0 | 0 | 0 | 107.6 | R705 | H703-R705 PolarHBondContact O-N 3.1Š| ||
| 704 | E | 36.1 | Very low | 35.2 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 91% | 0.911 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -81 | 82.4 | -166.2 | -63.1 | -176.5 | 131.7 | 0 | 0 | 113.4 | ||
| 705 | R | 38.4 | Very low | 35.9 | Very low | 239 Ų | 239 | 131.5 Ų | 131.5 | 90% | 0.902 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -166.4 | 112.9 | 147.7 | -102.5 | 154.5 | -160.8 | -139.9 | 3.4 | 108.4 | H703 Q707 | H703-R705 PolarHBondContact O-N 3.1Å; R705-Q707 PolarHBondContact O-N 3.47Å |
| 706 | G | 42.4 | Very low | 36.5 | Very low | 86 Ų | 86 | 125.4 Ų | 125.4 | 89% | 0.887 | 71% | 0.705 | S | S | * | * | trans | -78.7 | 77.6 | -158.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 707 | Q | 34.9 | Very low | 36.5 | Very low | 178 Ų | 178 | 118.6 Ų | 118.6 | 83% | 0.832 | 67% | 0.669 | S | S | * | * | trans | -141.1 | 124.7 | 148.9 | -74.5 | -157.7 | 9.6 | 0 | 0 | 111.7 | R705 G709 | R705-Q707 PolarHBondContact O-N 3.47Å; Q707-G709 PolarHBondContact O-N 3.09Å; Q707-G709 VanDerWaalsContact O-N 3.13Å | ||
| 708 | P | 37.7 | Very low | 37.3 | Very low | 106 Ų | 106 | 120.7 Ų | 120.7 | 69% | 0.688 | 66% | 0.661 | S | S | * | * | trans | -77 | 95.8 | 170 | 31.3 | -31.6 | 0 | 0 | 0 | 109.7 | ||||
| 709 | G | 39.6 | Very low | 37.9 | Very low | 41 Ų | 41 | 115.4 Ų | 115.4 | 42% | 0.423 | 65% | 0.651 | S | S | . | * | trans | -57.4 | 150.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q707 A711 T712 | Q707-G709 PolarHBondContact O-N 3.09Å; Q707-G709 VanDerWaalsContact O-N 3.13Å; G709-A711 PolarHBondContact O-N 2.79Å; G709-T712 PolarHBondContact O-N 2.93Å; G709-T712 PolarHBondContact O-OG1 2.95Å | ||
| 710 | L | 43.2 | Very low | 38.3 | Very low | 156 Ų | 156 | 115.4 Ų | 115.4 | 82% | 0.817 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -46.6 | -29.1 | -174.4 | -72.5 | 154.8 | 0 | 0 | 0 | 115.2 | H713 S714 | L710-H713 PolarHBondContact O-N 3.26Å; L710-S714 VanDerWaalsContact O-CB 3.28Å; L710-S714 WeakPolarHBondContact O-CB 3.29Å; L710-S714 PolarHBondContact O-N 2.98Å; L710-S714 PolarHBondContact O-OG 3.41Å |
| 711 | A | 37.8 | Very low | 38.8 | Very low | 73 Ų | 73 | 114 Ų | 114 | 60% | 0.603 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.2 | -36.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G709 S714 S715 | G709-A711 PolarHBondContact O-N 2.79Å; A711-S714 WeakPolarHBondContact CA-OG 3.48Å; A711-S714 PolarHBondContact O-OG 2.82Å; A711-S715 WeakPolarHBondContact O-CB 3.25Å; A711-S715 PolarHBondContact O-N 2.91Å; A711-S715 VanDerWaalsContact O-N 3.14Å; A711-S715 PolarHBondContact O-OG 2.75Å |
| 712 | T | 39.4 | Very low | 38.6 | Very low | 73 Ų | 73 | 110.8 Ų | 110.8 | 45% | 0.448 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -76.1 | -43.2 | 176.6 | 62.8 | 0 | 0 | 0 | 0 | 110.7 | G709 S714 S715 V716 | G709-T712 PolarHBondContact O-N 2.93Å; G709-T712 PolarHBondContact O-OG1 2.95Å; T712-S714 PolarHBondContact O-N 3.44Å; T712-S715 WeakPolarHBondContact CA-OG 3.42Å; T712-S715 PolarHBondContact O-N 3.04Å; T712-S715 PolarHBondContact O-OG 2.99Å; T712-S715 VanDerWaalsContact O-OG 3.11Å; T712-V716 WeakPolarHBondContact O-CB 3.43Å; T712-V716 WeakPolarHBondContact O-CG2 3.16Å; T712-V716 PolarHBondContact O-N 2.79Å |
| 713 | H | 37.4 | Very low | 38.8 | Very low | 111 Ų | 111 | 105.6 Ų | 105.6 | 51% | 0.514 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.2 | -39.5 | 178.7 | -152.8 | -45.6 | 0 | 0 | 0 | 112.1 | L710 N717 | L710-H713 PolarHBondContact O-N 3.26Å; H713-N717 PolarHBondContact CE1-OD1 2.83Å; H713-N717 PolarHBondContact ND1-ND2 2.95Å; H713-N717 PolarHBondContact ND1-OD1 3.47Å; H713-N717 WeakPolarHBondContact O-CB 3.45Å; H713-N717 PolarHBondContact O-N 3.43Å; H713-N717 PolarHBondContact O-OD1 3.1Å |
| 714 | S | 38.8 | Very low | 38.8 | Very low | 58 Ų | 58 | 102 Ų | 102 | 41% | 0.406 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72.3 | -31.8 | 176.5 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | L710 A711 T712 R718 | L710-S714 VanDerWaalsContact O-CB 3.28Å; L710-S714 WeakPolarHBondContact O-CB 3.29Å; L710-S714 PolarHBondContact O-N 2.98Å; L710-S714 PolarHBondContact O-OG 3.41Å; A711-S714 WeakPolarHBondContact CA-OG 3.48Å; A711-S714 PolarHBondContact O-OG 2.82Å; T712-S714 PolarHBondContact O-N 3.44Å; S714-R718 VanDerWaalsContact O-CB 3.26Å; S714-R718 WeakPolarHBondContact O-CB 3.13Å; S714-R718 PolarHBondContact O-N 2.92Å |
| 715 | S | 39.5 | Very low | 39.2 | Very low | 57 Ų | 57 | 96 Ų | 96 | 40% | 0.399 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -76.8 | -39.6 | 174.4 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | A711 T712 R718 V719 | A711-S715 WeakPolarHBondContact O-CB 3.25Å; A711-S715 PolarHBondContact O-N 2.91Å; A711-S715 VanDerWaalsContact O-N 3.14Å; A711-S715 PolarHBondContact O-OG 2.75Å; T712-S715 WeakPolarHBondContact CA-OG 3.42Å; T712-S715 PolarHBondContact O-N 3.04Å; T712-S715 PolarHBondContact O-OG 2.99Å; T712-S715 VanDerWaalsContact O-OG 3.11Å; S715-R718 PolarHBondContact O-N 2.92Å; S715-V719 WeakPolarHBondContact O-CG2 3.43Å; S715-V719 PolarHBondContact O-N 2.58Å |
| 716 | V | 39.3 | Very low | 38.9 | Very low | 80 Ų | 80 | 88.1 Ų | 88.1 | 49% | 0.485 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.6 | -45.9 | 169.6 | 171 | 0 | 0 | 0 | 0 | 110.4 | T712 R718 V719 L720 | T712-V716 WeakPolarHBondContact O-CB 3.43Å; T712-V716 WeakPolarHBondContact O-CG2 3.16Å; T712-V716 PolarHBondContact O-N 2.79Å; V716-R718 VanDerWaalsContact C-N 3.28Å; V716-R718 PolarHBondContact O-N 3.07Å; V716-V719 PolarHBondContact O-N 3.09Å; V716-V719 VanDerWaalsContact O-N 3.13Å; V716-L720 HydrophobicContact CG1-CD1 3.83Å; V716-L720 HydrophobicContact CG1-CG 4.27Å; V716-L720 WeakPolarHBondContact O-CB 3.06Å; V716-L720 WeakPolarHBondContact O-CG 3.39Å; V716-L720 PolarHBondContact O-N 3.37Å |
| 717 | N | 40.3 | Very low | 38.7 | Very low | 30 Ų | 30 | 91 Ų | 91 | 16% | 0.16 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -59.4 | -37.9 | 173.7 | -76.5 | 1.6 | 0 | 0 | 0 | 112 | H713 A721 F796 | H713-N717 PolarHBondContact CE1-OD1 2.83Å; H713-N717 PolarHBondContact ND1-ND2 2.95Å; H713-N717 PolarHBondContact ND1-OD1 3.47Å; H713-N717 WeakPolarHBondContact O-CB 3.45Å; H713-N717 PolarHBondContact O-N 3.43Å; H713-N717 PolarHBondContact O-OD1 3.1Å; N717-A721 WeakPolarHBondContact O-CB 3.3Å; N717-A721 PolarHBondContact O-N 2.82Å; N717-F796 HydrophobicContact CB-CE1 3.85Å; N717-F796 HydrophobicContact CB-CZ 4.15Å; N717-F796 VanDerWaalsContact ND2-CZ 3.31Å; N717-F796 WeakPolarHBondContact ND2-CZ 3.41Å |
| 718 | R | 45.7 | Very low | 39 | Very low | 164 Ų | 164 | 83 Ų | 83 | 62% | 0.619 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.2 | -31.9 | 176.1 | -170.1 | -179 | -63 | 165.4 | 1 | 112.9 | S714 S715 V716 G722 | S714-R718 VanDerWaalsContact O-CB 3.26Å; S714-R718 WeakPolarHBondContact O-CB 3.13Å; S714-R718 PolarHBondContact O-N 2.92Å; S715-R718 PolarHBondContact O-N 2.92Å; V716-R718 VanDerWaalsContact C-N 3.28Å; V716-R718 PolarHBondContact O-N 3.07Å; R718-G722 PolarHBondContact O-N 2.87Å; R718-G722 VanDerWaalsContact O-N 3.09Å |
| 719 | V | 41.2 | Very low | 39.1 | Very low | 105 Ų | 105 | 81.4 Ų | 81.4 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -77 | -41.4 | 174.8 | 171 | 0 | 0 | 0 | 0 | 111.3 | S715 V716 G722 A723 | S715-V719 WeakPolarHBondContact O-CG2 3.43Å; S715-V719 PolarHBondContact O-N 2.58Å; V716-V719 PolarHBondContact O-N 3.09Å; V716-V719 VanDerWaalsContact O-N 3.13Å; V719-G722 CarbonylContact O-C 3.47Å; V719-G722 WeakPolarHBondContact O-CA 3.1Å; V719-G722 PolarHBondContact O-N 3.33Å; V719-A723 PolarHBondContact O-N 3.27Å |
| 720 | L | 37 | Very low | 38.9 | Very low | 100 Ų | 100 | 80.4 Ų | 80.4 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 174.1 | -69.7 | 173 | 0 | 0 | 0 | 111.4 | V716 G722 A723 V724 | V716-L720 HydrophobicContact CG1-CD1 3.83Å; V716-L720 HydrophobicContact CG1-CG 4.27Å; V716-L720 WeakPolarHBondContact O-CB 3.06Å; V716-L720 WeakPolarHBondContact O-CG 3.39Å; V716-L720 PolarHBondContact O-N 3.37Å; L720-G722 PolarHBondContact O-N 2.74Å; L720-A723 PolarHBondContact O-N 2.83Å; L720-V724 WeakPolarHBondContact O-CG2 3.16Å; L720-V724 PolarHBondContact O-N 3.12Å |
| 721 | A | 38.4 | Very low | 38.6 | Very low | 54 Ų | 54 | 75 Ų | 75 | 45% | 0.446 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -16.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113 | N717 I725 | N717-A721 WeakPolarHBondContact O-CB 3.3Å; N717-A721 PolarHBondContact O-N 2.82Å; A721-I725 WeakPolarHBondContact O-CD1 3.45Å; A721-I725 WeakPolarHBondContact O-CG1 3.35Å |
| 722 | G | 36.1 | Very low | 38.5 | Very low | 41 Ų | 41 | 73.7 Ų | 73.7 | 42% | 0.423 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -83.8 | -35 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R718 V719 L720 I725 | R718-G722 PolarHBondContact O-N 2.87Å; R718-G722 VanDerWaalsContact O-N 3.09Å; V719-G722 CarbonylContact O-C 3.47Å; V719-G722 WeakPolarHBondContact O-CA 3.1Å; V719-G722 PolarHBondContact O-N 3.33Å; L720-G722 PolarHBondContact O-N 2.74Å; G722-I725 WeakPolarHBondContact O-CG1 3.43Å |
| 723 | A | 37.1 | Very low | 38.2 | Very low | 81 Ų | 81 | 70.8 Ų | 70.8 | 67% | 0.669 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -78 | -26.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V719 L720 I725 | V719-A723 PolarHBondContact O-N 3.27Å; L720-A723 PolarHBondContact O-N 2.83Å; A723-I725 VanDerWaalsContact C-N 3.29Å |
| 724 | V | 34.8 | Very low | 38.1 | Very low | 113 Ų | 113 | 68.9 Ų | 68.9 | 69% | 0.685 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 2.3 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 112.3 | L720 G726 | L720-V724 WeakPolarHBondContact O-CG2 3.16Å; L720-V724 PolarHBondContact O-N 3.12Å; V724-G726 PolarHBondContact O-N 2.93Å |
| 725 | I | 43.4 | Very low | 37.9 | Very low | 71 Ų | 71 | 71.4 Ų | 71.4 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 53.5 | 177.8 | -41.1 | 179.7 | 0 | 0 | 0 | 112.5 | A721 G722 A723 | A721-I725 WeakPolarHBondContact O-CD1 3.45Å; A721-I725 WeakPolarHBondContact O-CG1 3.35Å; G722-I725 WeakPolarHBondContact O-CG1 3.43Å; A723-I725 VanDerWaalsContact C-N 3.29Å |
| 726 | G | 32.4 | Very low | 38.4 | Very low | 73 Ų | 73 | 70.3 Ų | 70.3 | 75% | 0.753 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -41.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V724 G728 | V724-G726 PolarHBondContact O-N 2.93Å; G726-G728 VanDerWaalsContact C-N 3.27Å; G726-G728 PolarHBondContact O-N 2.92Å |
| 727 | D | 39.1 | Very low | 38.8 | Very low | 145 Ų | 145 | 68.9 Ų | 68.9 | 78% | 0.775 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -86 | 14.3 | -171 | -66.2 | -39.2 | 0 | 0 | 0 | 115 | Q729 | D727-Q729 VanDerWaalsContact C-N 3.29Å; D727-Q729 PolarHBondContact O-N 2.89Å |
| 728 | G | 40.8 | Very low | 39.8 | Very low | 10 Ų | 10 | 71.4 Ų | 71.4 | 10% | 0.103 | 44% | 0.444 | C | S | . | . | trans | 73.7 | 7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117 | G726 S730 M855 | G726-G728 VanDerWaalsContact C-N 3.27Å; G726-G728 PolarHBondContact O-N 2.92Å; G728-S730 PolarHBondContact O-N 3.2Å; G728-M855 VanDerWaalsContact O-CE 3.31Å; G728-M855 WeakPolarHBondContact O-CE 3.48Å | ||
| 729 | Q | 39.7 | Very low | 41.3 | Very low | 74 Ų | 74 | 65.7 Ų | 65.7 | 35% | 0.346 | 43% | 0.428 | S | S | . | . | trans | -68 | 91.3 | 171.7 | -65 | -66.4 | -11.7 | 0 | 0 | 110.6 | D727 | D727-Q729 VanDerWaalsContact C-N 3.29Å; D727-Q729 PolarHBondContact O-N 2.89Å | ||
| 730 | S | 36.6 | Very low | 43.4 | Very low | 19 Ų | 19 | 61.1 Ų | 61.1 | 13% | 0.133 | 40% | 0.4 | C | S | . | . | trans | -75.7 | 147.9 | 176.3 | 74.8 | 0 | 0 | 0 | 0 | 111.7 | G728 N824 R844 | G728-S730 PolarHBondContact O-N 3.2Å; S730-N824 PolarHBondContact O-ND2 3.5Å; S730-R844 PolarHBondContact OG-N 2.83Å | ||
| 731 | A | 36 | Very low | 45.9 | Very low | 44 Ų | 44 | 57.9 Ų | 57.9 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | trans | -104.6 | 163.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R844 | A731-R844 WeakPolarHBondContact O-CB 3.33Š| ||
| 732 | V | 35.5 | Very low | 48.5 | Very low | 44 Ų | 44 | 55.5 Ų | 55.5 | 27% | 0.267 | 36% | 0.361 | S | S | . | . | trans | 81.3 | 96.6 | 164.4 | -169.4 | 0 | 0 | 0 | 0 | 116.8 | S734 R844 | V732-S734 VanDerWaalsContact CG1-OG 3.3Å; V732-S734 WeakPolarHBondContact CG1-OG 3.47Å; V732-R844 WeakPolarHBondContact O-CD 3.47Å; V732-R844 PolarHBondContact O-NE 3Å | ||
| 733 | A | 33.3 | Very low | 51.3 | Low | 13 Ų | 13 | 53.6 Ų | 53.6 | 11% | 0.107 | 34% | 0.341 | C | S | . | . | trans | -116.6 | 42.9 | 151.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | N735 I736 | A733-N735 PolarHBondContact O-N 3.12Å; A733-I736 HydrophobicContact CB-CD1 3.59Å; A733-I736 HydrophobicContact CB-CG1 4.42Å; A733-I736 WeakPolarHBondContact O-CD1 3.47Å; A733-I736 WeakPolarHBondContact O-CG1 3.39Å; A733-I736 PolarHBondContact O-N 2.82Å | ||
| 734 | S | 34.8 | Very low | 54.1 | Low | 71 Ų | 71 | 49.8 Ų | 49.8 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 35.2 | -168.1 | 68.9 | 0 | 0 | 0 | 0 | 116.4 | V732 | V732-S734 VanDerWaalsContact CG1-OG 3.3Å; V732-S734 WeakPolarHBondContact CG1-OG 3.47Å |
| 735 | N | 35.1 | Very low | 56.9 | Low | 111 Ų | 111 | 45.2 Ų | 45.2 | 59% | 0.594 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.4 | 9.3 | 174.1 | -114.2 | 98.3 | 0 | 0 | 0 | 112.2 | A733 A737 | A733-N735 PolarHBondContact O-N 3.12Å; N735-A737 PolarHBondContact O-N 2.98Å |
| 736 | I | 49.3 | Very low | 59.3 | Low | 33 Ų | 33 | 42.5 Ų | 42.5 | 17% | 0.169 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -69.5 | 118.9 | 163.6 | -67.2 | 158.8 | 0 | 0 | 0 | 106.7 | A733 N738 Y771 | A733-I736 HydrophobicContact CB-CD1 3.59Å; A733-I736 HydrophobicContact CB-CG1 4.42Å; A733-I736 WeakPolarHBondContact O-CD1 3.47Å; A733-I736 WeakPolarHBondContact O-CG1 3.39Å; A733-I736 PolarHBondContact O-N 2.82Å; I736-N738 PolarHBondContact O-N 3.36Å; I736-Y771 HydrophobicContact CB-CE1 4.41Å; I736-Y771 HydrophobicContact CD1-CE1 3.58Å; I736-Y771 HydrophobicContact CG1-CE1 3.8Å; I736-Y771 HydrophobicContact CG2-CE1 3.71Å |
| 737 | A | 49.2 | Very low | 62.2 | Low | 50 Ų | 50 | 42.6 Ų | 42.6 | 41% | 0.413 | 25% | 0.248 | S | C | . | . | trans | -58.5 | 137.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | N735 T739 | N735-A737 PolarHBondContact O-N 2.98Å; A737-T739 PolarHBondContact O-N 3.31Å | ||
| 738 | N | 61.4 | Low | 64.8 | Low | 83 Ų | 83 | 35.8 Ų | 35.8 | 44% | 0.444 | 21% | 0.211 | S | C | . | . | trans | -74.1 | 22.5 | -178.6 | -103 | -23.7 | 0 | 0 | 0 | 113.8 | I736 T740 K769 | I736-N738 PolarHBondContact O-N 3.36Å; N738-T740 PolarHBondContact O-N 2.82Å; N738-T740 VanDerWaalsContact O-N 3.07Å; N738-K769 PolarHBondContact OD1-NZ 2.83Å | ||
| 739 | T | 75.6 | Confident | 67.1 | Low | 44 Ų | 44 | 38.4 Ų | 38.4 | 27% | 0.27 | 23% | 0.226 | S | C | . | . | trans | -55.1 | 108.8 | 171.3 | -48.1 | 0 | 0 | 0 | 0 | 110.5 | V200 A737 Y741 | V200-T739 HydrophobicContact CB-CG2 4.42Å; V200-T739 HydrophobicContact CG1-CG2 3.8Å; V200-T739 HydrophobicContact CG2-CG2 3.93Å; A737-T739 PolarHBondContact O-N 3.31Å; T739-Y741 HydrophobicContact CG2-CE1 4.35Å; T739-Y741 HydrophobicContact CG2-CE2 4.36Å; T739-Y741 WeakPolarHBondContact O-CE2 3.47Å | ||
| 740 | T | 86.1 | Confident | 69.4 | Low | 10 Ų | 10 | 40.1 Ų | 40.1 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | trans | -86.1 | 149.8 | 166.8 | 65.1 | 0 | 0 | 0 | 0 | 110.5 | N201 N204 N738 N767 C768 P790 | N201-T740 PolarHBondContact N-O 2.95Å; N201-T740 PolarHBondContact ND2-OG1 2.79Å; N201-T740 VanDerWaalsContact ND2-OG1 3.11Å; N204-T740 PolarHBondContact ND2-N 3.44Å; N204-T740 VanDerWaalsContact ND2-N 3.12Å; N204-T740 PolarHBondContact ND2-O 2.84Å; N204-T740 PolarHBondContact ND2-OG1 2.64Å; N204-T740 PolarHBondContact OD1-OG1 2.98Å; N738-T740 PolarHBondContact O-N 2.82Å; N738-T740 VanDerWaalsContact O-N 3.07Å; T740-N767 WeakPolarHBondContact CB-OD1 3.28Å; T740-N767 HydrophobicContact CG2-CB 4.27Å; T740-N767 PolarHBondContact OG1-OD1 2.83Å; T740-C768 WeakPolarHBondContact CA-O 3.38Å; T740-P790 HydrophobicContact CG2-CG 4.12Å | ||
| 741 | Y | 90 | Very high | 71.7 | Confident | 32 Ų | 32 | 41.2 Ų | 41.2 | 13% | 0.125 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 145.1 | 174.4 | -53.3 | -96.9 | 0 | 0 | 0 | 109.5 | R184 I199 V200 T739 N767 C768 I770 | R184-Y741 HydrophobicContact CB-CD1 3.67Å; R184-Y741 HydrophobicContact CB-CE1 3.43Å; R184-Y741 VanDerWaalsContact CB-CE1 3.43Å; R184-Y741 HydrophobicContact CG-CD1 4.22Å; R184-Y741 HydrophobicContact CG-CE1 3.68Å; I199-Y741 CarbonylContact O-C 3.57Å; I199-Y741 WeakPolarHBondContact O-CA 3.44Å; I199-Y741 WeakPolarHBondContact O-CB 3.22Å; V200-Y741 HydrophobicContact CB-CD1 4.44Å; V200-Y741 HydrophobicContact CG2-CD1 3.79Å; V200-Y741 HydrophobicContact CG2-CE1 3.44Å; V200-Y741 VanDerWaalsContact CG2-CE1 3.44Å; T739-Y741 HydrophobicContact CG2-CE1 4.35Å; T739-Y741 HydrophobicContact CG2-CE2 4.36Å; T739-Y741 WeakPolarHBondContact O-CE2 3.47Å; Y741-N767 CarbonylContact O-C 3.56Å; Y741-C768 PolarHBondContact N-O 3.03Å; Y741-C768 PolarHBondContact O-N 2.95Å; Y741-C768 PolarHBondContact O-SG 3.04Å; Y741-I770 HydrophobicContact CD2-CB 3.98Å; Y741-I770 HydrophobicContact CD2-CD1 4.5Å; Y741-I770 HydrophobicContact CD2-CG1 4.22Å; Y741-I770 HydrophobicContact CE2-CB 4.12Å; Y741-I770 WeakPolarHBondContact CE2-O 3.21Å; Y741-I770 HydrophobicContact CG-CD1 4.35Å |
| 742 | R | 93.3 | Very high | 74.2 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 143 | 161 | 55.8 | 179 | -172.4 | -102.6 | 11.2 | 109.6 | E181 A198 I199 V200 N201 Q744 A759 V763 V765 | E181-R742 VanDerWaalsContact CD-NH1 3.3Å; E181-R742 IonicContact OE1-CZ 2.64Å; E181-R742 IonicContact OE1-NH1 2.77Å; E181-R742 PolarHBondContact OE1-NH1 3.49Å; E181-R742 IonicContact OE1-NH2 3.49Å; E181-R742 PolarHBondContact OE1-NH2 2.92Å; E181-R742 IonicContact OE2-CZ 3.73Å; E181-R742 IonicContact OE2-NH1 2.7Å; E181-R742 IonicContact OE2-NH2 2.68Å; E181-R742 PolarHBondContact OE2-NH2 3.17Å; A198-R742 CarbonylContact C-O 3.58Å; A198-R742 VanDerWaalsContact CA-O 3.28Å; A198-R742 WeakPolarHBondContact CA-O 3.47Å; I199-R742 HydrophobicContact CB-CG 4.12Å; I199-R742 PolarHBondContact N-O 2.98Å; I199-R742 WeakPolarHBondContact O-CG 3.37Å; I199-R742 PolarHBondContact O-N 2.87Å; V200-R742 PolarHBondContact O-NH1 2.99Å; N201-R742 VanDerWaalsContact OD1-CB 3.3Å; N201-R742 WeakPolarHBondContact OD1-CB 3.47Å; N201-R742 WeakPolarHBondContact OD1-CG 3.38Å; N201-R742 PolarHBondContact OD1-N 2.87Å; R742-Q744 HydrophobicContact CG-CG 4.48Å; R742-A759 WeakPolarHBondContact CD-O 3.21Å; R742-A759 VanDerWaalsContact CZ-CA 3.49Å; R742-A759 VanDerWaalsContact CZ-CB 3.43Å; R742-V763 HydrophobicContact CB-CG1 4.37Å; R742-V765 CarbonylContact C-O 3.54Å; R742-V765 WeakPolarHBondContact CA-O 3.39Å |
| 743 | L | 94.9 | Very high | 76.8 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126.5 | 163 | -62.4 | -175.8 | 0 | 0 | 0 | 108.7 | L196 A198 V763 L764 V765 I770 L785 A787 | L196-L743 HydrophobicContact CD1-CB 4.07Å; L196-L743 HydrophobicContact CD1-CD1 4.38Å; L196-L743 HydrophobicContact CD1-CD2 4.44Å; A198-L743 HydrophobicContact CB-CD2 3.46Å; A198-L743 VanDerWaalsContact CB-CD2 3.46Å; L743-V763 CarbonylContact O-C 3.58Å; L743-V763 WeakPolarHBondContact O-CA 3.3Å; L743-L764 PolarHBondContact O-N 3.14Å; L743-V765 HydrophobicContact CB-CB 3.99Å; L743-V765 HydrophobicContact CB-CG2 4.38Å; L743-V765 HydrophobicContact CD1-CB 4.04Å; L743-V765 HydrophobicContact CD1-CG2 3.94Å; L743-V765 HydrophobicContact CG-CB 4.11Å; L743-V765 HydrophobicContact CG-CG2 4.49Å; L743-V765 PolarHBondContact N-O 3.33Å; L743-V765 PolarHBondContact O-N 2.81Å; L743-I770 HydrophobicContact CD2-CD1 3.93Å; L743-L785 HydrophobicContact CD1-CD2 3.91Å; L743-A787 HydrophobicContact CD1-CB 4.14Å |
| 744 | Q | 94.5 | Very high | 79.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 140.7 | 174.2 | -66.1 | 171.4 | -88.2 | 0 | 0 | 109.9 | L196 T197 R742 W746 N758 V761 N762 V763 | L196-Q744 WeakPolarHBondContact CA-O 3.44Å; T197-Q744 PolarHBondContact N-O 2.78Å; T197-Q744 PolarHBondContact O-N 2.84Å; R742-Q744 HydrophobicContact CG-CG 4.48Å; Q744-W746 HydrophobicContact CB-CZ2 4.03Å; Q744-N758 PolarHBondContact NE2-O 3.46Å; Q744-V761 PolarHBondContact NE2-O 3.02Å; Q744-N762 CarbonylContact C-O 3.56Å; Q744-N762 VanDerWaalsContact CA-O 3.25Å; Q744-N762 WeakPolarHBondContact CA-O 3.28Å; Q744-V763 HydrophobicContact CG-CG2 3.92Å |
| 745 | W | 94.6 | Very high | 82.2 | Confident | 18 Ų | 18 | 42.9 Ų | 42.9 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 103 | -171.8 | -176.7 | -96.4 | 0 | 0 | 0 | 110.7 | D189 Y194 L196 N762 L764 I778 L807 | D189-W745 HydrophobicContact CB-CH2 3.98Å; Y194-W745 VanDerWaalsContact CB-CE2 3.43Å; Y194-W745 AromaticContact CD1-CE2 3.93Å; Y194-W745 HydrophobicContact CD1-CZ2 4.3Å; Y194-W745 AromaticContact CD1-NE1 3.31Å; Y194-W745 VanDerWaalsContact CD1-NE1 3.31Å; Y194-W745 AromaticContact CD2-CZ2 3.8Å; Y194-W745 HydrophobicContact CD2-CZ2 3.8Å; Y194-W745 AromaticContact CE1-NE1 3.95Å; Y194-W745 AromaticContact CG-CE2 3.6Å; Y194-W745 HydrophobicContact CG-CH2 4.47Å; Y194-W745 AromaticContact CG-CZ2 3.51Å; Y194-W745 HydrophobicContact CG-CZ2 3.51Å; Y194-W745 AromaticContact CG-NE1 3.46Å; L196-W745 HydrophobicContact CB-CE3 4.03Å; L196-W745 HydrophobicContact CB-CZ3 4.06Å; L196-W745 HydrophobicContact CD1-CE3 3.89Å; L196-W745 HydrophobicContact CD1-CZ3 4.41Å; W745-N762 PolarHBondContact N-O 3.04Å; W745-N762 WeakPolarHBondContact O-CB 3.5Å; W745-L764 HydrophobicContact CB-CB 4.13Å; W745-L764 HydrophobicContact CB-CD2 4.2Å; W745-L764 HydrophobicContact CD2-CD2 4.5Å; W745-L764 HydrophobicContact CE3-CD2 4.39Å; W745-L764 HydrophobicContact CG-CD2 4.46Å; W745-I778 HydrophobicContact CZ3-CD1 4.25Å; W745-L807 HydrophobicContact CD2-CD2 4.05Å; W745-L807 HydrophobicContact CE3-CD2 3.91Å; W745-L807 HydrophobicContact CH2-CD1 3.64Å; W745-L807 HydrophobicContact CH2-CD2 3.81Å; W745-L807 HydrophobicContact CH2-CG 4.22Å; W745-L807 HydrophobicContact CZ2-CB 4.46Å; W745-L807 HydrophobicContact CZ2-CD1 4.29Å; W745-L807 HydrophobicContact CZ2-CD2 3.94Å; W745-L807 HydrophobicContact CZ2-CG 4.46Å; W745-L807 HydrophobicContact CZ3-CD1 3.98Å; W745-L807 HydrophobicContact CZ3-CD2 3.79Å |
| 746 | W | 94.4 | Very high | 84.8 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 5% | 0.053 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 134.2 | -172.1 | -54.3 | 92.1 | 0 | 0 | 0 | 111.1 | Y194 L195 T197 Q744 F748 P754 E755 I756 V761 N762 | Y194-W746 CarbonylContact C-O 3.6Å; Y194-W746 VanDerWaalsContact CA-O 3.26Å; Y194-W746 WeakPolarHBondContact CA-O 3.5Å; L195-W746 HydrophobicContact CB-CB 4.34Å; L195-W746 PolarHBondContact N-O 2.88Å; L195-W746 PolarHBondContact O-N 3.1Å; T197-W746 PolarHBondContact OG1-NE1 2.82Å; Q744-W746 HydrophobicContact CB-CZ2 4.03Å; W746-F748 PolarHBondContact O-N 3.22Å; W746-P754 HydrophobicContact CB-CB 4.18Å; W746-P754 HydrophobicContact CD2-CB 3.5Å; W746-P754 VanDerWaalsContact CD2-CB 3.5Å; W746-P754 HydrophobicContact CE3-CB 3.8Å; W746-P754 HydrophobicContact CG-CB 3.63Å; W746-P754 HydrophobicContact CZ3-CB 4.49Å; W746-E755 HydrophobicContact CH2-CB 4.1Å; W746-E755 VanDerWaalsContact CH2-O 3.29Å; W746-E755 WeakPolarHBondContact CH2-O 3.24Å; W746-E755 HydrophobicContact CZ3-CB 4.01Å; W746-E755 VanDerWaalsContact CZ3-N 3.35Å; W746-I756 HydrophobicContact CZ2-CG2 4.11Å; W746-V761 HydrophobicContact CH2-CB 4.32Å; W746-V761 HydrophobicContact CH2-CG1 3.82Å; W746-V761 HydrophobicContact CZ3-CG1 3.77Å; W746-N762 HydrophobicContact CD2-CB 4.49Å; W746-N762 HydrophobicContact CE3-CB 4.41Å; W746-N762 HydrophobicContact CZ3-CB 4.42Å; W746-N762 VanDerWaalsContact CZ3-ND2 3.28Å; W746-N762 WeakPolarHBondContact CZ3-ND2 3.44Å |
| 747 | D | 92.6 | Very high | 86.7 | Confident | 75 Ų | 75 | 38.9 Ų | 38.9 | 40% | 0.401 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 117.2 | 164.2 | -177.7 | -5.8 | 0 | 0 | 0 | 108.6 | Y194 T749 | Y194-D747 HydrophobicContact CD1-CB 4.31Å; Y194-D747 HydrophobicContact CE1-CB 4.02Å; D747-T749 WeakPolarHBondContact OD1-CB 2.93Å; D747-T749 WeakPolarHBondContact OD1-CG2 3.45Å; D747-T749 PolarHBondContact OD1-N 2.88Å; D747-T749 PolarHBondContact OD1-OG1 3.35Å |
| 748 | F | 92.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | trans | -114.6 | 7.3 | -179.9 | -159.4 | -111.2 | 0 | 0 | 0 | 112.1 | L151 F162 F188 H193 W746 K750 F751 D752 | L151-F748 HydrophobicContact CD2-CE1 3.85Å; L151-F748 HydrophobicContact CD2-CZ 3.9Å; F162-F748 AromaticContact CE1-CE2 3.96Å; F162-F748 HydrophobicContact CE1-CE2 3.96Å; F162-F748 AromaticContact CE1-CZ 3.92Å; F162-F748 HydrophobicContact CE1-CZ 3.92Å; F188-F748 AromaticContact CE1-CD1 3.63Å; F188-F748 HydrophobicContact CE1-CD1 3.63Å; F188-F748 HydrophobicContact CE1-CE1 4.02Å; F188-F748 HydrophobicContact CE1-CG 4.19Å; F188-F748 HydrophobicContact CZ-CD1 4.26Å; F188-F748 HydrophobicContact CZ-CE1 4.19Å; H193-F748 PolarHBondContact O-N 2.93Å; W746-F748 PolarHBondContact O-N 3.22Å; F748-K750 PolarHBondContact O-N 3.41Å; F748-F751 HydrophobicContact CD1-CD1 4.09Å; F748-F751 HydrophobicContact CD1-CE1 4.49Å; F748-F751 AromaticContact CE1-CD1 3.5Å; F748-F751 HydrophobicContact CE1-CD1 3.5Å; F748-F751 VanDerWaalsContact CE1-CD1 3.5Å; F748-F751 HydrophobicContact CE1-CE1 4.09Å; F748-F751 HydrophobicContact CE1-CG 4.39Å; F748-F751 HydrophobicContact CZ-CB 4.36Å; F748-F751 HydrophobicContact CZ-CD1 4.01Å; F748-F751 PolarHBondContact O-N 3.32Å; F748-D752 WeakPolarHBondContact CD2-O 3.33Å; F748-D752 WeakPolarHBondContact CE2-O 3.37Å | ||
| 749 | T | 89.4 | Confident | 89.8 | Confident | 66 Ų | 66 | 37.4 Ų | 37.4 | 41% | 0.405 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -22.3 | 178.5 | 58.6 | 0 | 0 | 0 | 0 | 114 | H193 D747 | H193-T749 HydrophobicContact CB-CG2 3.68Å; H193-T749 PolarHBondContact O-N 3.22Å; D747-T749 WeakPolarHBondContact OD1-CB 2.93Å; D747-T749 WeakPolarHBondContact OD1-CG2 3.45Å; D747-T749 PolarHBondContact OD1-N 2.88Å; D747-T749 PolarHBondContact OD1-OG1 3.35Å |
| 750 | K | 87.4 | Confident | 90.4 | Very high | 110 Ų | 110 | 39.8 Ų | 39.8 | 48% | 0.478 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -3.2 | 178.7 | -68.4 | 172.1 | -175.7 | 164.7 | 0 | 114.1 | R414 F748 D752 | R414-K750 WeakPolarHBondContact CG-O 3.35Å; R414-K750 PolarHBondContact NE-O 3.49Å; F748-K750 PolarHBondContact O-N 3.41Å; K750-D752 VanDerWaalsContact CB-OD2 3.24Å; K750-D752 WeakPolarHBondContact CB-OD2 3.35Å; K750-D752 VanDerWaalsContact CD-OD2 3.23Å; K750-D752 WeakPolarHBondContact CD-OD2 3.34Å; K750-D752 PolarHBondContact O-N 3.18Å |
| 751 | F | 85.8 | Confident | 90.6 | Very high | 41 Ų | 41 | 41.3 Ų | 41.3 | 18% | 0.18 | 23% | 0.227 | C | C | . | . | trans | 56.4 | 25.4 | -169.4 | -55 | -87.7 | 0 | 0 | 0 | 114.6 | H146 A149 L413 F417 F748 | H146-F751 AromaticContact CE1-CE1 3.6Å; H146-F751 AromaticContact CE1-CZ 3.87Å; H146-F751 AromaticContact NE2-CE1 3.93Å; A149-F751 HydrophobicContact CB-CE1 4.24Å; L413-F751 HydrophobicContact CB-CB 4Å; L413-F751 WeakPolarHBondContact CB-O 3.21Å; L413-F751 WeakPolarHBondContact CD1-O 3.47Å; L413-F751 WeakPolarHBondContact CG-O 3.38Å; F417-F751 HydrophobicContact CD2-CB 3.84Å; F417-F751 AromaticContact CD2-CD1 3.8Å; F417-F751 HydrophobicContact CD2-CD1 3.8Å; F417-F751 AromaticContact CD2-CD2 3.93Å; F417-F751 HydrophobicContact CD2-CD2 3.93Å; F417-F751 HydrophobicContact CD2-CE1 4.34Å; F417-F751 HydrophobicContact CD2-CE2 4.46Å; F417-F751 AromaticContact CD2-CG 3.58Å; F417-F751 HydrophobicContact CD2-CG 3.58Å; F417-F751 HydrophobicContact CE2-CB 3.66Å; F417-F751 AromaticContact CE2-CD1 3.32Å; F417-F751 HydrophobicContact CE2-CD1 3.32Å; F417-F751 HydrophobicContact CE2-CD2 4.3Å; F417-F751 HydrophobicContact CE2-CE1 4.01Å; F417-F751 AromaticContact CE2-CG 3.5Å; F417-F751 HydrophobicContact CE2-CG 3.5Å; F417-F751 VanDerWaalsContact CE2-CG 3.5Å; F417-F751 AromaticContact CZ-CD1 3.78Å; F417-F751 HydrophobicContact CZ-CD1 3.78Å; F417-F751 HydrophobicContact CZ-CE1 4.12Å; F417-F751 HydrophobicContact CZ-CG 4.38Å; F748-F751 HydrophobicContact CD1-CD1 4.09Å; F748-F751 HydrophobicContact CD1-CE1 4.49Å; F748-F751 AromaticContact CE1-CD1 3.5Å; F748-F751 HydrophobicContact CE1-CD1 3.5Å; F748-F751 VanDerWaalsContact CE1-CD1 3.5Å; F748-F751 HydrophobicContact CE1-CE1 4.09Å; F748-F751 HydrophobicContact CE1-CG 4.39Å; F748-F751 HydrophobicContact CZ-CB 4.36Å; F748-F751 HydrophobicContact CZ-CD1 4.01Å; F748-F751 PolarHBondContact O-N 3.32Å | ||
| 752 | D | 88.1 | Confident | 90.7 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 24% | 0.235 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 137.5 | 175.1 | -62.3 | -27.6 | 0 | 0 | 0 | 110 | R414 F748 K750 | R414-D752 IonicContact CZ-OD1 3.24Å; R414-D752 IonicContact NE-OD1 3.49Å; R414-D752 VanDerWaalsContact NH2-CG 3.3Å; R414-D752 IonicContact NH2-OD1 3.02Å; R414-D752 PolarHBondContact NH2-OD1 3.02Å; R414-D752 IonicContact NH2-OD2 3.72Å; R414-D752 PolarHBondContact NH2-OD2 2.98Å; R414-D752 VanDerWaalsContact NH2-OD2 3.14Å; F748-D752 WeakPolarHBondContact CD2-O 3.33Å; F748-D752 WeakPolarHBondContact CE2-O 3.37Å; K750-D752 VanDerWaalsContact CB-OD2 3.24Å; K750-D752 WeakPolarHBondContact CB-OD2 3.35Å; K750-D752 VanDerWaalsContact CD-OD2 3.23Å; K750-D752 WeakPolarHBondContact CD-OD2 3.34Å; K750-D752 PolarHBondContact O-N 3.18Å |
| 753 | L | 90.9 | Very high | 90.6 | Very high | 47 Ų | 47 | 45.7 Ų | 45.7 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 131 | 179.3 | -68.4 | 175.8 | 0 | 0 | 0 | 110.9 | F162 A172 V174 C411 L413 | F162-L753 HydrophobicContact CD1-CD2 4.03Å; F162-L753 HydrophobicContact CD2-CD2 4.26Å; F162-L753 HydrophobicContact CE1-CD2 3.76Å; F162-L753 HydrophobicContact CE2-CD2 4.03Å; F162-L753 HydrophobicContact CG-CD2 4.3Å; F162-L753 HydrophobicContact CZ-CD2 3.79Å; A172-L753 HydrophobicContact CB-CD2 4.4Å; V174-L753 HydrophobicContact CG2-CB 4.16Å; V174-L753 HydrophobicContact CG2-CD1 4.42Å; V174-L753 HydrophobicContact CG2-CD2 3.98Å; V174-L753 HydrophobicContact CG2-CG 4.42Å; C411-L753 HydrophobicContact CB-CD1 4.11Å; L413-L753 HydrophobicContact CD1-CD2 3.91Å; L413-L753 HydrophobicContact CG-CD2 4.36Å; L413-L753 HydrophobicContact CG-CG 4.49Å |
| 754 | P | 91.7 | Very high | 90.5 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 5% | 0.045 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 134.8 | -175.4 | 29.2 | -35.8 | 0 | 0 | 0 | 112.5 | F162 V174 L195 W746 I756 | F162-P754 HydrophobicContact CZ-CG 4.19Å; V174-P754 WeakPolarHBondContact CG1-O 3.45Å; L195-P754 HydrophobicContact CD2-CG 4.17Å; W746-P754 HydrophobicContact CB-CB 4.18Å; W746-P754 HydrophobicContact CD2-CB 3.5Å; W746-P754 VanDerWaalsContact CD2-CB 3.5Å; W746-P754 HydrophobicContact CE3-CB 3.8Å; W746-P754 HydrophobicContact CG-CB 3.63Å; W746-P754 HydrophobicContact CZ3-CB 4.49Å; P754-I756 HydrophobicContact CB-CG2 4Å; P754-I756 HydrophobicContact CG-CG2 4.08Å; P754-I756 PolarHBondContact O-N 2.98Å |
| 755 | E | 89.4 | Confident | 90.4 | Very high | 109 Ų | 109 | 47.1 Ų | 47.1 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | trans | -79.5 | 55.1 | -178.7 | -63.5 | -179.2 | -176.6 | 0 | 0 | 113.1 | W746 S757 N758 | W746-E755 HydrophobicContact CH2-CB 4.1Å; W746-E755 VanDerWaalsContact CH2-O 3.29Å; W746-E755 WeakPolarHBondContact CH2-O 3.24Å; W746-E755 HydrophobicContact CZ3-CB 4.01Å; W746-E755 VanDerWaalsContact CZ3-N 3.35Å; E755-S757 PolarHBondContact O-N 3.46Å; E755-N758 PolarHBondContact O-N 3.02Å | ||
| 756 | I | 90.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -14.1 | -174 | 73 | -176.8 | 0 | 0 | 0 | 114.6 | I160 V174 T176 V183 T197 I199 W746 P754 N758 | I160-I756 HydrophobicContact CB-CD1 4.47Å; I160-I756 HydrophobicContact CD1-CD1 3.75Å; I160-I756 HydrophobicContact CD1-CG2 4.22Å; I160-I756 HydrophobicContact CG1-CD1 3.84Å; V174-I756 HydrophobicContact CB-CD1 4.19Å; V174-I756 HydrophobicContact CG1-CD1 3.76Å; V174-I756 HydrophobicContact CG1-CG1 3.68Å; T176-I756 HydrophobicContact CG2-CB 4.46Å; T176-I756 HydrophobicContact CG2-CD1 3.95Å; T176-I756 HydrophobicContact CG2-CG1 3.92Å; V183-I756 HydrophobicContact CG2-CD1 4.44Å; T197-I756 HydrophobicContact CG2-CG2 4.41Å; I199-I756 HydrophobicContact CD1-CB 3.83Å; I199-I756 HydrophobicContact CD1-CG2 4.44Å; W746-I756 HydrophobicContact CZ2-CG2 4.11Å; P754-I756 HydrophobicContact CB-CG2 4Å; P754-I756 HydrophobicContact CG-CG2 4.08Å; P754-I756 PolarHBondContact O-N 2.98Å; I756-N758 VanDerWaalsContact C-N 3.26Å; I756-N758 PolarHBondContact O-N 2.97Å |
| 757 | S | 89.1 | Confident | 89.9 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 42% | 0.42 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29 | 171.1 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | A177 E755 A759 | A177-S757 VanDerWaalsContact CB-O 3.25Å; A177-S757 WeakPolarHBondContact CB-O 3.34Å; E755-S757 PolarHBondContact O-N 3.46Å; S757-A759 PolarHBondContact O-N 3.21Å |
| 758 | N | 87.8 | Confident | 89.7 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 34% | 0.337 | 29% | 0.286 | S | S | . | . | trans | -87.9 | 102.7 | 177.2 | -167.8 | -28.2 | 0 | 0 | 0 | 111 | Q744 E755 I756 S760 V761 | Q744-N758 PolarHBondContact NE2-O 3.46Å; E755-N758 PolarHBondContact O-N 3.02Å; I756-N758 VanDerWaalsContact C-N 3.26Å; I756-N758 PolarHBondContact O-N 2.97Å; N758-S760 PolarHBondContact O-N 3.3Å; N758-S760 VanDerWaalsContact O-N 3.11Å; N758-S760 PolarHBondContact OD1-N 3.24Å; N758-S760 PolarHBondContact OD1-OG 3.22Å; N758-V761 HydrophobicContact CB-CB 4.2Å; N758-V761 HydrophobicContact CB-CG2 4.02Å; N758-V761 VanDerWaalsContact CG-CG2 3.47Å; N758-V761 VanDerWaalsContact ND2-CG2 3.34Å; N758-V761 WeakPolarHBondContact ND2-CG2 3.44Å; N758-V761 PolarHBondContact O-N 3.06Å | ||
| 759 | A | 87.6 | Confident | 89.4 | Confident | 39 Ų | 39 | 52.5 Ų | 52.5 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -14.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R742 S757 V763 | R742-A759 WeakPolarHBondContact CD-O 3.21Å; R742-A759 VanDerWaalsContact CZ-CA 3.49Å; R742-A759 VanDerWaalsContact CZ-CB 3.43Å; S757-A759 PolarHBondContact O-N 3.21Å; A759-V763 VanDerWaalsContact O-CG2 3.31Å; A759-V763 WeakPolarHBondContact O-CG2 3.46Å |
| 760 | S | 88 | Confident | 89.3 | Confident | 95 Ų | 95 | 49.8 Ų | 49.8 | 66% | 0.664 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -18.1 | -177 | 70.9 | 0 | 0 | 0 | 0 | 114.5 | N758 | N758-S760 PolarHBondContact O-N 3.3Å; N758-S760 VanDerWaalsContact O-N 3.11Å; N758-S760 PolarHBondContact OD1-N 3.24Å; N758-S760 PolarHBondContact OD1-OG 3.22Å |
| 761 | V | 90.2 | Very high | 89.1 | Confident | 41 Ų | 41 | 46.5 Ų | 46.5 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 141.8 | -174.5 | 166.7 | 0 | 0 | 0 | 0 | 111 | Q744 W746 N758 V763 | Q744-V761 PolarHBondContact NE2-O 3.02Å; W746-V761 HydrophobicContact CH2-CB 4.32Å; W746-V761 HydrophobicContact CH2-CG1 3.82Å; W746-V761 HydrophobicContact CZ3-CG1 3.77Å; N758-V761 HydrophobicContact CB-CB 4.2Å; N758-V761 HydrophobicContact CB-CG2 4.02Å; N758-V761 VanDerWaalsContact CG-CG2 3.47Å; N758-V761 VanDerWaalsContact ND2-CG2 3.34Å; N758-V761 WeakPolarHBondContact ND2-CG2 3.44Å; N758-V761 PolarHBondContact O-N 3.06Å; V761-V763 PolarHBondContact O-N 2.93Å |
| 762 | N | 91 | Very high | 89.1 | Confident | 80 Ų | 80 | 45.1 Ų | 45.1 | 43% | 0.428 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 20.8 | 173.1 | -65.2 | -18.5 | 0 | 0 | 0 | 115.8 | Q744 W745 W746 L764 | Q744-N762 CarbonylContact C-O 3.56Å; Q744-N762 VanDerWaalsContact CA-O 3.25Å; Q744-N762 WeakPolarHBondContact CA-O 3.28Å; W745-N762 PolarHBondContact N-O 3.04Å; W745-N762 WeakPolarHBondContact O-CB 3.5Å; W746-N762 HydrophobicContact CD2-CB 4.49Å; W746-N762 HydrophobicContact CE3-CB 4.41Å; W746-N762 HydrophobicContact CZ3-CB 4.42Å; W746-N762 VanDerWaalsContact CZ3-ND2 3.28Å; W746-N762 WeakPolarHBondContact CZ3-ND2 3.44Å; N762-L764 PolarHBondContact O-N 3.45Å; N762-L764 VanDerWaalsContact O-N 3.14Å |
| 763 | V | 91.9 | Very high | 89.1 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 30% | 0.297 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 109.5 | -179.5 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | R742 L743 Q744 A759 V761 Q766 | R742-V763 HydrophobicContact CB-CG1 4.37Å; L743-V763 CarbonylContact O-C 3.58Å; L743-V763 WeakPolarHBondContact O-CA 3.3Å; Q744-V763 HydrophobicContact CG-CG2 3.92Å; A759-V763 VanDerWaalsContact O-CG2 3.31Å; A759-V763 WeakPolarHBondContact O-CG2 3.46Å; V761-V763 PolarHBondContact O-N 2.93Å; V763-Q766 HydrophobicContact CG1-CG 4Å |
| 764 | L | 93.3 | Very high | 89.1 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 13% | 0.131 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -38.9 | 178.3 | -174 | 70.7 | 0 | 0 | 0 | 111.9 | L743 W745 N762 L785 L807 L812 G813 | L743-L764 PolarHBondContact O-N 3.14Å; W745-L764 HydrophobicContact CB-CB 4.13Å; W745-L764 HydrophobicContact CB-CD2 4.2Å; W745-L764 HydrophobicContact CD2-CD2 4.5Å; W745-L764 HydrophobicContact CE3-CD2 4.39Å; W745-L764 HydrophobicContact CG-CD2 4.46Å; N762-L764 PolarHBondContact O-N 3.45Å; N762-L764 VanDerWaalsContact O-N 3.14Å; L764-L785 HydrophobicContact CD2-CD2 3.42Å; L764-L785 VanDerWaalsContact CD2-CD2 3.42Å; L764-L785 HydrophobicContact CG-CD2 4.49Å; L764-L807 HydrophobicContact CD2-CD2 3.57Å; L764-L812 HydrophobicContact CD1-CD1 3.59Å; L764-L812 HydrophobicContact CD1-CG 3.91Å; L764-G813 VanDerWaalsContact CD1-CA 3.44Å |
| 765 | V | 91.9 | Very high | 89 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 116.8 | 176.4 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | R742 L743 C768 I789 Y805 | R742-V765 CarbonylContact C-O 3.54Å; R742-V765 WeakPolarHBondContact CA-O 3.39Å; L743-V765 HydrophobicContact CB-CB 3.99Å; L743-V765 HydrophobicContact CB-CG2 4.38Å; L743-V765 HydrophobicContact CD1-CB 4.04Å; L743-V765 HydrophobicContact CD1-CG2 3.94Å; L743-V765 HydrophobicContact CG-CB 4.11Å; L743-V765 HydrophobicContact CG-CG2 4.49Å; L743-V765 PolarHBondContact N-O 3.33Å; L743-V765 PolarHBondContact O-N 2.81Å; V765-C768 HydrophobicContact CG1-CB 4.26Å; V765-I789 HydrophobicContact CG1-CG2 3.98Å; V765-Y805 HydrophobicContact CG1-CE2 4.12Å; V765-Y805 HydrophobicContact CG2-CD1 4.32Å; V765-Y805 HydrophobicContact CG2-CD2 3.77Å; V765-Y805 HydrophobicContact CG2-CE1 4.1Å; V765-Y805 HydrophobicContact CG2-CE2 3.52Å; V765-Y805 HydrophobicContact CG2-CG 4.16Å |
| 766 | Q | 89.5 | Confident | 89.1 | Confident | 147 Ų | 147 | 36.1 Ų | 36.1 | 69% | 0.687 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | -39.6 | -174.6 | -69.3 | 179.3 | -13.5 | 0 | 0 | 113.6 | N201 V763 | N201-Q766 PolarHBondContact ND2-O 3.22Å; V763-Q766 HydrophobicContact CG1-CG 4Å |
| 767 | N | 89.1 | Confident | 89.3 | Confident | 60 Ų | 60 | 36.6 Ų | 36.6 | 32% | 0.321 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 111.4 | -175.2 | -76.1 | -76.7 | 0 | 0 | 0 | 110.3 | N201 T740 Y741 I789 P790 | N201-N767 PolarHBondContact ND2-OD1 3.24Å; T740-N767 WeakPolarHBondContact CB-OD1 3.28Å; T740-N767 HydrophobicContact CG2-CB 4.27Å; T740-N767 PolarHBondContact OG1-OD1 2.83Å; Y741-N767 CarbonylContact O-C 3.56Å; N767-I789 WeakPolarHBondContact O-CB 3.36Å; N767-I789 VanDerWaalsContact O-CG2 3.32Å; N767-I789 WeakPolarHBondContact O-CG2 3.16Å; N767-P790 HydrophobicContact CB-CG 4.07Å; N767-P790 VanDerWaalsContact O-CD 3.31Å; N767-P790 WeakPolarHBondContact O-CD 3.37Å |
| 768 | C | 88.8 | Confident | 89.6 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 161.2 | 172.3 | 68.1 | 0 | 0 | 0 | 0 | 111.9 | T740 Y741 V765 F788 I789 | T740-C768 WeakPolarHBondContact CA-O 3.38Å; Y741-C768 PolarHBondContact N-O 3.03Å; Y741-C768 PolarHBondContact O-N 2.95Å; Y741-C768 PolarHBondContact O-SG 3.04Å; V765-C768 HydrophobicContact CG1-CB 4.26Å; C768-F788 CarbonylContact C-O 3.55Å; C768-F788 WeakPolarHBondContact CA-O 2.94Å; C768-F788 WeakPolarHBondContact CB-O 3.29Å; C768-I789 HydrophobicContact CB-CG2 4.42Å |
| 769 | K | 86.8 | Confident | 89.8 | Confident | 14 Ų | 14 | 31.2 Ų | 31.2 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -107.6 | 121.2 | 172.7 | -67.5 | -166 | 173.2 | -168 | 0 | 109 | N738 F788 | N738-K769 PolarHBondContact OD1-NZ 2.83Å; K769-F788 HydrophobicContact CB-CB 4.46Å; K769-F788 PolarHBondContact N-O 2.9Å |
| 770 | I | 86.3 | Confident | 89.7 | Confident | 8 Ų | 8 | 32.4 Ų | 32.4 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | trans | -126.5 | 126.5 | -179 | -58.6 | 175.2 | 0 | 0 | 0 | 109.3 | R184 L185 A198 Y741 L743 | R184-I770 HydrophobicContact CG-CB 4.1Å; R184-I770 HydrophobicContact CG-CG2 3.66Å; L185-I770 HydrophobicContact CD2-CD1 4.48Å; A198-I770 HydrophobicContact CB-CD1 3.26Å; Y741-I770 HydrophobicContact CD2-CB 3.98Å; Y741-I770 HydrophobicContact CD2-CD1 4.5Å; Y741-I770 HydrophobicContact CD2-CG1 4.22Å; Y741-I770 HydrophobicContact CE2-CB 4.12Å; Y741-I770 WeakPolarHBondContact CE2-O 3.21Å; Y741-I770 HydrophobicContact CG-CD1 4.35Å; L743-I770 HydrophobicContact CD2-CD1 3.93Å | ||
| 771 | Y | 83.8 | Confident | 89.6 | Confident | 42 Ų | 42 | 30.9 Ų | 30.9 | 17% | 0.165 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -101.5 | -45.1 | 177.5 | -50 | -77.4 | 0 | 0 | 0 | 110.7 | R184 I736 S775 A825 I826 | R184-Y771 PolarHBondContact NE-O 3.05Å; R184-Y771 PolarHBondContact NH2-O 2.83Å; I736-Y771 HydrophobicContact CB-CE1 4.41Å; I736-Y771 HydrophobicContact CD1-CE1 3.58Å; I736-Y771 HydrophobicContact CG1-CE1 3.8Å; I736-Y771 HydrophobicContact CG2-CE1 3.71Å; Y771-S775 WeakPolarHBondContact CB-OG 3.34Å; Y771-S775 WeakPolarHBondContact CD2-OG 3.47Å; Y771-S775 PolarHBondContact N-OG 2.96Å; Y771-A825 WeakPolarHBondContact CE2-O 3.27Å; Y771-I826 HydrophobicContact CD2-CB 4.37Å; Y771-I826 HydrophobicContact CD2-CG1 4.48Å; Y771-I826 HydrophobicContact CD2-CG2 4.32Å; Y771-I826 WeakPolarHBondContact CD2-O 3.32Å; Y771-I826 HydrophobicContact CG-CG2 4.48Å |
| 772 | N | 86.6 | Confident | 89.5 | Confident | 12 Ų | 12 | 29.5 Ų | 29.5 | 6% | 0.064 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -156.4 | -175.3 | 177.2 | 64.5 | 11 | 0 | 0 | 0 | 110.9 | W99 A774 S775 N893 | W99-N772 HydrophobicContact CZ2-CB 4.38Å; N772-A774 PolarHBondContact O-N 3.32Å; N772-A774 WeakPolarHBondContact OD1-CA 3.44Å; N772-A774 WeakPolarHBondContact OD1-CB 3.25Å; N772-A774 PolarHBondContact OD1-N 3.48Å; N772-S775 PolarHBondContact N-OG 3.4Å; N772-S775 VanDerWaalsContact N-OG 3.12Å; N772-S775 VanDerWaalsContact O-CB 3.28Å; N772-S775 WeakPolarHBondContact O-CB 3Å; N772-S775 PolarHBondContact O-N 3.17Å; N772-S775 PolarHBondContact O-OG 2.79Å; N772-S775 PolarHBondContact OD1-N 3.32Å; N772-S775 PolarHBondContact OD1-OG 2.96Å; N772-N893 PolarHBondContact ND2-O 3.33Å |
| 773 | D | 87.9 | Confident | 89.6 | Confident | 14 Ų | 14 | 30.7 Ų | 30.7 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -2.1 | -179.1 | -51.6 | 43.4 | 0 | 0 | 0 | 114.2 | L58 S142 L185 R896 | L58-D773 HydrophobicContact CD1-CB 3.98Å; L58-D773 HydrophobicContact CD2-CB 3.93Å; S142-D773 WeakPolarHBondContact CA-OD2 3.31Å; S142-D773 WeakPolarHBondContact CB-OD2 3.28Å; S142-D773 PolarHBondContact OG-OD2 2.76Å; L185-D773 HydrophobicContact CD1-CB 3.96Å; D773-R896 PolarHBondContact O-NH2 2.87Å |
| 774 | A | 90.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -2.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L58 N772 C776 S827 V828 S894 | L58-A774 HydrophobicContact CD1-CB 3.92Å; N772-A774 PolarHBondContact O-N 3.32Å; N772-A774 WeakPolarHBondContact OD1-CA 3.44Å; N772-A774 WeakPolarHBondContact OD1-CB 3.25Å; N772-A774 PolarHBondContact OD1-N 3.48Å; A774-C776 PolarHBondContact O-N 3.1Å; A774-S827 CarbonylContact O-C 3.5Å; A774-S827 WeakPolarHBondContact O-CA 3.38Å; A774-S827 WeakPolarHBondContact O-CB 3.42Å; A774-V828 PolarHBondContact O-N 3.06Å; A774-S894 WeakPolarHBondContact CB-OG 3.49Å |
| 775 | S | 89.9 | Confident | 89.8 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -78.7 | -3.5 | 173.2 | -51.2 | 0 | 0 | 0 | 0 | 113.9 | Y771 N772 I826 | Y771-S775 WeakPolarHBondContact CB-OG 3.34Å; Y771-S775 WeakPolarHBondContact CD2-OG 3.47Å; Y771-S775 PolarHBondContact N-OG 2.96Å; N772-S775 PolarHBondContact N-OG 3.4Å; N772-S775 VanDerWaalsContact N-OG 3.12Å; N772-S775 VanDerWaalsContact O-CB 3.28Å; N772-S775 WeakPolarHBondContact O-CB 3Å; N772-S775 PolarHBondContact O-N 3.17Å; N772-S775 PolarHBondContact O-OG 2.79Å; N772-S775 PolarHBondContact OD1-N 3.32Å; N772-S775 PolarHBondContact OD1-OG 2.96Å; S775-I826 WeakPolarHBondContact CA-O 3.15Å; S775-I826 WeakPolarHBondContact CB-O 3.07Å; S775-I826 PolarHBondContact OG-O 2.75Å |
| 776 | C | 92.4 | Very high | 90 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.02 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 140.9 | 177.8 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | L185 R187 A774 L785 A786 | L185-C776 HydrophobicContact CD2-CB 3.86Å; R187-C776 PolarHBondContact NH1-O 3.27Å; A774-C776 PolarHBondContact O-N 3.1Å; C776-L785 VanDerWaalsContact SG-CD1 3.53Å; C776-A786 VanDerWaalsContact CA-O 3.3Å; C776-A786 WeakPolarHBondContact CA-O 3.28Å; C776-A786 PolarHBondContact SG-O 2.8Å |
| 777 | D | 94.5 | Very high | 90.2 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 5% | 0.053 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 141.2 | 178.7 | -144.5 | 17 | 0 | 0 | 0 | 112.9 | R187 A786 S829 L830 R896 | R187-D777 IonicContact CZ-OD1 3.35Å; R187-D777 VanDerWaalsContact CZ-OD1 3.24Å; R187-D777 IonicContact NH1-OD1 3.44Å; R187-D777 PolarHBondContact NH1-OD1 2.9Å; R187-D777 IonicContact NH2-OD1 2.75Å; R187-D777 PolarHBondContact NH2-OD1 3.01Å; D777-A786 PolarHBondContact N-O 3.31Å; D777-A786 PolarHBondContact O-N 2.99Å; D777-S829 WeakPolarHBondContact OD2-CA 3.43Å; D777-S829 WeakPolarHBondContact OD2-CB 3.47Å; D777-S829 PolarHBondContact OD2-OG 3.26Å; D777-L830 PolarHBondContact OD2-N 2.88Å; D777-R896 IonicContact OD1-NH1 3.81Å; D777-R896 PolarHBondContact OD1-NH1 2.91Å; D777-R896 IonicContact OD2-NH1 3.79Å |
| 778 | I | 93.6 | Very high | 90.2 | Very high | 9 Ų | 9 | 18.5 Ų | 18.5 | 5% | 0.046 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 138.1 | 174 | -60.4 | 173.4 | 0 | 0 | 0 | 107.4 | R187 L196 W745 L784 L785 L807 | R187-I778 HydrophobicContact CG-CD1 4.16Å; L196-I778 HydrophobicContact CD2-CD1 4.33Å; W745-I778 HydrophobicContact CZ3-CD1 4.25Å; I778-L784 CarbonylContact C-O 3.53Å; I778-L784 WeakPolarHBondContact CA-O 3.26Å; I778-L785 HydrophobicContact CG1-CD1 3.79Å; I778-L807 HydrophobicContact CG1-CD1 4.45Å; I778-L807 HydrophobicContact CG2-CD1 3.9Å |
| 779 | S | 92.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | trans | -65.1 | 156.1 | 177.6 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | D781 G782 Q783 L784 | S779-D781 VanDerWaalsContact CB-OD1 3.29Å; S779-D781 WeakPolarHBondContact CB-OD1 3.47Å; S779-D781 PolarHBondContact O-N 2.79Å; S779-D781 VanDerWaalsContact O-N 3.1Å; S779-D781 PolarHBondContact OG-OD1 3.02Å; S779-G782 PolarHBondContact O-N 3.14Å; S779-Q783 PolarHBondContact OG-N 2.81Å; S779-Q783 VanDerWaalsContact OG-N 3.15Å; S779-L784 PolarHBondContact N-O 2.97Å; S779-L784 PolarHBondContact OG-N 2.89Å | ||
| 780 | A | 86.3 | Confident | 90 | Very high | 64 Ų | 64 | 20.9 Ų | 20.9 | 53% | 0.529 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -14.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 781 | D | 85.7 | Confident | 89.5 | Confident | 63 Ų | 63 | 21.6 Ų | 21.6 | 34% | 0.337 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 4.8 | 172.9 | 59.7 | 5.5 | 0 | 0 | 0 | 113.7 | R27 S779 Q783 | R27-D781 IonicContact NH2-OD2 2.73Å; S779-D781 VanDerWaalsContact CB-OD1 3.29Å; S779-D781 WeakPolarHBondContact CB-OD1 3.47Å; S779-D781 PolarHBondContact O-N 2.79Å; S779-D781 VanDerWaalsContact O-N 3.1Å; S779-D781 PolarHBondContact OG-OD1 3.02Å; D781-Q783 HydrophobicContact CB-CG 4.44Å; D781-Q783 WeakPolarHBondContact O-CG 3.42Å; D781-Q783 PolarHBondContact O-N 2.78Å; D781-Q783 PolarHBondContact OD1-N 2.98Å |
| 782 | G | 89 | Confident | 88.4 | Confident | 12 Ų | 12 | 25 Ų | 25 | 12% | 0.124 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 71.3 | 2.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S779 L807 | S779-G782 PolarHBondContact O-N 3.14Å; G782-L807 WeakPolarHBondContact O-CB 3.2Å; G782-L807 WeakPolarHBondContact O-CD1 3.38Å |
| 783 | Q | 91.4 | Very high | 86.9 | Confident | 104 Ų | 104 | 30 Ų | 30 | 49% | 0.486 | 18% | 0.178 | S | C | . | . | trans | -90.7 | -15.6 | -170.6 | -58 | -164 | -2.4 | 0 | 0 | 115.2 | S779 D781 L807 | S779-Q783 PolarHBondContact OG-N 2.81Å; S779-Q783 VanDerWaalsContact OG-N 3.15Å; D781-Q783 HydrophobicContact CB-CG 4.44Å; D781-Q783 WeakPolarHBondContact O-CG 3.42Å; D781-Q783 PolarHBondContact O-N 2.78Å; D781-Q783 PolarHBondContact OD1-N 2.98Å; Q783-L807 PolarHBondContact O-N 3.1Å | ||
| 784 | L | 94.3 | Very high | 84.7 | Confident | 24 Ų | 24 | 41.7 Ų | 41.7 | 13% | 0.126 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 140.8 | -176.6 | -59.7 | 174.8 | 0 | 0 | 0 | 111.9 | I778 S779 V804 Y805 L816 L830 L862 | I778-L784 CarbonylContact C-O 3.53Å; I778-L784 WeakPolarHBondContact CA-O 3.26Å; S779-L784 PolarHBondContact N-O 2.97Å; S779-L784 PolarHBondContact OG-N 2.89Å; L784-V804 HydrophobicContact CB-CG1 4.02Å; L784-V804 HydrophobicContact CD2-CG1 4.17Å; L784-V804 HydrophobicContact CG-CG1 4.47Å; L784-Y805 WeakPolarHBondContact CA-O 3.49Å; L784-L816 HydrophobicContact CD2-CD1 3.82Å; L784-L830 HydrophobicContact CB-CD1 4.11Å; L784-L862 HydrophobicContact CD1-CD1 4.32Å |
| 785 | L | 95.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 115.8 | 175.5 | 177.8 | 69.7 | 0 | 0 | 0 | 110.4 | L196 L743 L764 C776 I778 V804 Y805 L807 | L196-L785 HydrophobicContact CD1-CD2 4.26Å; L196-L785 HydrophobicContact CD2-CD1 3.78Å; L743-L785 HydrophobicContact CD1-CD2 3.91Å; L764-L785 HydrophobicContact CD2-CD2 3.42Å; L764-L785 VanDerWaalsContact CD2-CD2 3.42Å; L764-L785 HydrophobicContact CG-CD2 4.49Å; C776-L785 VanDerWaalsContact SG-CD1 3.53Å; I778-L785 HydrophobicContact CG1-CD1 3.79Å; L785-V804 CarbonylContact O-C 3.6Å; L785-V804 VanDerWaalsContact O-CA 3.29Å; L785-V804 WeakPolarHBondContact O-CA 3.4Å; L785-Y805 PolarHBondContact N-O 3.39Å; L785-Y805 PolarHBondContact O-N 2.96Å; L785-L807 HydrophobicContact CB-CD1 3.92Å; L785-L807 HydrophobicContact CB-CD2 4.06Å; L785-L807 HydrophobicContact CB-CG 3.85Å; L785-L807 HydrophobicContact CD2-CD2 4.3Å |
| 786 | A | 95.2 | Very high | 80.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | C776 D777 L802 V804 V828 L830 | C776-A786 VanDerWaalsContact CA-O 3.3Å; C776-A786 WeakPolarHBondContact CA-O 3.28Å; C776-A786 PolarHBondContact SG-O 2.8Å; D777-A786 PolarHBondContact N-O 3.31Å; D777-A786 PolarHBondContact O-N 2.99Å; A786-L802 HydrophobicContact CB-CD1 4.39Å; A786-V804 HydrophobicContact CB-CG2 4.09Å; A786-V828 HydrophobicContact CB-CG1 4.19Å; A786-V828 HydrophobicContact CB-CG2 3.78Å; A786-L830 HydrophobicContact CB-CD1 4Å; A786-L830 HydrophobicContact CB-CD2 4.19Å; A786-L830 HydrophobicContact CB-CG 3.97Å |
| 787 | A | 93.6 | Very high | 78.1 | Confident | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 153.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | L743 A803 | L743-A787 HydrophobicContact CD1-CB 4.14Å; A787-A803 PolarHBondContact N-O 3.5Å; A787-A803 PolarHBondContact O-N 2.85Å; A787-A803 VanDerWaalsContact O-O 3.07Å |
| 788 | F | 90.8 | Very high | 76.2 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 134.6 | 173.2 | -57.9 | -69.4 | 0 | 0 | 0 | 111.1 | C768 K769 I801 L802 A825 V828 V839 | C768-F788 CarbonylContact C-O 3.55Å; C768-F788 WeakPolarHBondContact CA-O 2.94Å; C768-F788 WeakPolarHBondContact CB-O 3.29Å; K769-F788 HydrophobicContact CB-CB 4.46Å; K769-F788 PolarHBondContact N-O 2.9Å; F788-I801 CarbonylContact C-O 3.59Å; F788-I801 WeakPolarHBondContact CA-O 3.35Å; F788-L802 HydrophobicContact CD1-CB 4.16Å; F788-L802 HydrophobicContact CD1-CD1 4.2Å; F788-L802 HydrophobicContact CE1-CB 4.16Å; F788-L802 HydrophobicContact CE1-CD1 4.03Å; F788-A825 HydrophobicContact CD1-CB 4.16Å; F788-A825 HydrophobicContact CE1-CB 3.62Å; F788-A825 HydrophobicContact CZ-CB 3.93Å; F788-V828 HydrophobicContact CE2-CB 4.14Å; F788-V828 HydrophobicContact CE2-CG1 4.21Å; F788-V828 HydrophobicContact CZ-CB 3.86Å; F788-V828 HydrophobicContact CZ-CG1 4.4Å; F788-V839 HydrophobicContact CE1-CG1 4.05Å; F788-V839 HydrophobicContact CZ-CG1 4.06Å |
| 789 | I | 88.6 | Confident | 74.8 | Confident | 24 Ų | 24 | 59 Ų | 59 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.2 | 176 | 69.2 | 176.7 | 0 | 0 | 0 | 110.5 | V765 N767 C768 I801 A803 Y805 M815 | V765-I789 HydrophobicContact CG1-CG2 3.98Å; N767-I789 WeakPolarHBondContact O-CB 3.36Å; N767-I789 VanDerWaalsContact O-CG2 3.32Å; N767-I789 WeakPolarHBondContact O-CG2 3.16Å; C768-I789 HydrophobicContact CB-CG2 4.42Å; I789-I801 HydrophobicContact CG1-CB 3.82Å; I789-I801 HydrophobicContact CG1-CG2 4.37Å; I789-I801 PolarHBondContact N-O 3.42Å; I789-I801 PolarHBondContact O-N 3.33Å; I789-A803 HydrophobicContact CD1-CB 3.99Å; I789-A803 HydrophobicContact CG1-CB 4.33Å; I789-A803 HydrophobicContact CG2-CB 4.35Å; I789-Y805 HydrophobicContact CG2-CE2 4.45Å; I789-M815 HydrophobicContact CD1-SD 4.15Å |
| 790 | P | 82.9 | Confident | 74 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 27% | 0.266 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 144.1 | 176.9 | 30 | -34.1 | 0 | 0 | 0 | 111.4 | T740 N767 | T740-P790 HydrophobicContact CG2-CG 4.12Å; N767-P790 HydrophobicContact CB-CG 4.07Å; N767-P790 VanDerWaalsContact O-CD 3.31Å; N767-P790 WeakPolarHBondContact O-CD 3.37Å |
| 791 | S | 74 | Confident | 74.1 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 16% | 0.161 | 31% | 0.31 | C | S | . | . | trans | -67.4 | 137.1 | 168.9 | -171.7 | 0 | 0 | 0 | 0 | 111.2 | E799 | S791-E799 WeakPolarHBondContact CB-O 3.44Å; S791-E799 PolarHBondContact N-O 3.36Å | ||
| 792 | S | 60.8 | Low | 74.3 | Confident | 115 Ų | 115 | 54.5 Ų | 54.5 | 80% | 0.804 | 29% | 0.294 | S | S | * | . | trans | -89.6 | 1.5 | -177.7 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | R794 | S792-R794 PolarHBondContact O-N 2.83Š| ||
| 793 | Q | 55 | Low | 74.5 | Confident | 115 Ų | 115 | 53.9 Ų | 53.9 | 54% | 0.537 | 29% | 0.288 | S | S | . | . | trans | -82 | 108.7 | -176.4 | -74.4 | -179.2 | -45.7 | 0 | 0 | 112 | G795 | Q793-G795 PolarHBondContact O-N 2.84Š| ||
| 794 | R | 42 | Very low | 74.7 | Confident | 260 Ų | 260 | 49 Ų | 49 | 98% | 0.981 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 101.9 | 171.3 | -67.5 | -176.7 | 179.2 | -172.8 | -1.3 | 110.4 | S792 | S792-R794 PolarHBondContact O-N 2.83Š|
| 795 | G | 42.3 | Very low | 74.7 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 59% | 0.588 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 159.4 | -32.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q793 | Q793-G795 PolarHBondContact O-N 2.84Š|
| 796 | F | 43.6 | Very low | 74.6 | Confident | 106 Ų | 106 | 49.1 Ų | 49.1 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | trans | -137.5 | 103 | 179.3 | -71.6 | -95.7 | 0 | 0 | 0 | 110.4 | N717 D798 | N717-F796 HydrophobicContact CB-CE1 3.85Å; N717-F796 HydrophobicContact CB-CZ 4.15Å; N717-F796 VanDerWaalsContact ND2-CZ 3.31Å; N717-F796 WeakPolarHBondContact ND2-CZ 3.41Å; F796-D798 PolarHBondContact O-N 3.02Å; F796-D798 VanDerWaalsContact O-N 3.12Å | ||
| 797 | P | 48.7 | Very low | 74.5 | Confident | 98 Ų | 98 | 49.5 Ų | 49.5 | 64% | 0.636 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -0.2 | -171 | 30.5 | -36.8 | 0 | 0 | 0 | 115.3 | ||
| 798 | D | 54.1 | Low | 74.3 | Confident | 62 Ų | 62 | 49.8 Ų | 49.8 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -3.6 | -163.4 | -92.3 | -8.5 | 0 | 0 | 0 | 114.6 | F796 G800 P823 | F796-D798 PolarHBondContact O-N 3.02Å; F796-D798 VanDerWaalsContact O-N 3.12Å; D798-G800 PolarHBondContact O-N 2.74Å; D798-P823 HydrophobicContact CB-CB 3.91Å; D798-P823 HydrophobicContact CB-CG 3.9Å; D798-P823 VanDerWaalsContact O-CA 3.29Å; D798-P823 WeakPolarHBondContact O-CA 3.47Å; D798-P823 VanDerWaalsContact O-CB 3.28Å; D798-P823 WeakPolarHBondContact O-CB 3.3Å; D798-P823 WeakPolarHBondContact O-CD 3.37Å |
| 799 | E | 64.9 | Low | 74 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 29% | 0.29 | 30% | 0.299 | S | S | . | . | trans | -71.7 | 123.6 | 175.5 | -75.4 | -169.9 | -179.9 | 0 | 0 | 111.6 | S791 R820 | S791-E799 WeakPolarHBondContact CB-O 3.44Å; S791-E799 PolarHBondContact N-O 3.36Å; E799-R820 IonicContact OE2-CZ 3.6Å; E799-R820 IonicContact OE2-NH1 3.71Å; E799-R820 PolarHBondContact OE2-NH1 2.82Å | ||
| 800 | G | 75.8 | Confident | 73.9 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | D798 F821 | D798-G800 PolarHBondContact O-N 2.74Å; G800-F821 PolarHBondContact N-O 2.76Å; G800-F821 CarbonylContact O-C 3.51Å; G800-F821 WeakPolarHBondContact O-CA 3.34Å; G800-F821 WeakPolarHBondContact O-CB 3.31Å; G800-F821 PolarHBondContact O-N 3.24Å |
| 801 | I | 86.7 | Confident | 74.3 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 14% | 0.138 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 123.1 | 177.3 | -51.1 | -178.1 | 0 | 0 | 0 | 107.6 | F788 I789 A803 K819 R820 | F788-I801 CarbonylContact C-O 3.59Å; F788-I801 WeakPolarHBondContact CA-O 3.35Å; I789-I801 HydrophobicContact CG1-CB 3.82Å; I789-I801 HydrophobicContact CG1-CG2 4.37Å; I789-I801 PolarHBondContact N-O 3.42Å; I789-I801 PolarHBondContact O-N 3.33Å; I801-A803 PolarHBondContact O-N 3.31Å; I801-K819 CarbonylContact C-O 3.4Å; I801-R820 HydrophobicContact CG1-CG 4.31Å |
| 802 | L | 91.3 | Very high | 75.2 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 125.5 | 161.8 | 174.6 | 64.7 | 0 | 0 | 0 | 108 | A786 F788 T818 K819 F821 V828 V837 V839 M872 | A786-L802 HydrophobicContact CB-CD1 4.39Å; F788-L802 HydrophobicContact CD1-CB 4.16Å; F788-L802 HydrophobicContact CD1-CD1 4.2Å; F788-L802 HydrophobicContact CE1-CB 4.16Å; F788-L802 HydrophobicContact CE1-CD1 4.03Å; L802-T818 CarbonylContact O-C 3.51Å; L802-T818 VanDerWaalsContact O-CA 3.26Å; L802-T818 WeakPolarHBondContact O-CA 3.38Å; L802-K819 PolarHBondContact N-O 2.86Å; L802-K819 PolarHBondContact O-N 2.84Å; L802-F821 HydrophobicContact CB-CD2 3.95Å; L802-F821 HydrophobicContact CB-CE2 3.61Å; L802-F821 HydrophobicContact CD2-CE2 4.2Å; L802-V828 HydrophobicContact CD1-CB 4.46Å; L802-V828 HydrophobicContact CD1-CG2 3.88Å; L802-V828 HydrophobicContact CD2-CG2 4.47Å; L802-V837 HydrophobicContact CD2-CG1 4.03Å; L802-V837 HydrophobicContact CD2-CG2 3.95Å; L802-V839 HydrophobicContact CD2-CG2 3.69Å; L802-M872 HydrophobicContact CD2-CE 3.79Å; L802-M872 HydrophobicContact CD2-SD 3.89Å; L802-M872 HydrophobicContact CG-CE 4.03Å |
| 803 | A | 92.4 | Very high | 76.5 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 142.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | A787 I789 I801 Y805 M815 Y817 T818 | A787-A803 PolarHBondContact N-O 3.5Å; A787-A803 PolarHBondContact O-N 2.85Å; A787-A803 VanDerWaalsContact O-O 3.07Å; I789-A803 HydrophobicContact CD1-CB 3.99Å; I789-A803 HydrophobicContact CG1-CB 4.33Å; I789-A803 HydrophobicContact CG2-CB 4.35Å; I801-A803 PolarHBondContact O-N 3.31Å; A803-Y805 HydrophobicContact CB-CD2 4.2Å; A803-Y805 HydrophobicContact CB-CE2 3.47Å; A803-Y805 VanDerWaalsContact CB-CE2 3.47Å; A803-M815 HydrophobicContact CB-CG 4.09Å; A803-M815 HydrophobicContact CB-SD 3.9Å; A803-Y817 CarbonylContact C-O 3.59Å; A803-Y817 WeakPolarHBondContact CA-O 3.42Å; A803-T818 HydrophobicContact CB-CG2 4.4Å |
| 804 | V | 95.1 | Very high | 78.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 116.8 | 167.6 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | L784 L785 A786 L816 Y817 M872 | L784-V804 HydrophobicContact CB-CG1 4.02Å; L784-V804 HydrophobicContact CD2-CG1 4.17Å; L784-V804 HydrophobicContact CG-CG1 4.47Å; L785-V804 CarbonylContact O-C 3.6Å; L785-V804 VanDerWaalsContact O-CA 3.29Å; L785-V804 WeakPolarHBondContact O-CA 3.4Å; A786-V804 HydrophobicContact CB-CG2 4.09Å; V804-L816 PolarHBondContact O-N 2.71Å; V804-Y817 HydrophobicContact CB-CD2 4.12Å; V804-Y817 HydrophobicContact CG1-CD2 4.21Å; V804-Y817 PolarHBondContact N-O 3.21Å; V804-Y817 PolarHBondContact O-N 2.93Å; V804-M872 HydrophobicContact CB-CE 4.42Å; V804-M872 HydrophobicContact CG2-CE 3.64Å |
| 805 | Y | 94.9 | Very high | 80.6 | Confident | 22 Ų | 22 | 48.8 Ų | 48.8 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 152.3 | 179.7 | -62.4 | -91 | 0 | 0 | 0 | 110.8 | V765 L784 L785 I789 A803 G813 E814 M815 | V765-Y805 HydrophobicContact CG1-CE2 4.12Å; V765-Y805 HydrophobicContact CG2-CD1 4.32Å; V765-Y805 HydrophobicContact CG2-CD2 3.77Å; V765-Y805 HydrophobicContact CG2-CE1 4.1Å; V765-Y805 HydrophobicContact CG2-CE2 3.52Å; V765-Y805 HydrophobicContact CG2-CG 4.16Å; L784-Y805 WeakPolarHBondContact CA-O 3.49Å; L785-Y805 PolarHBondContact N-O 3.39Å; L785-Y805 PolarHBondContact O-N 2.96Å; I789-Y805 HydrophobicContact CG2-CE2 4.45Å; A803-Y805 HydrophobicContact CB-CD2 4.2Å; A803-Y805 HydrophobicContact CB-CE2 3.47Å; A803-Y805 VanDerWaalsContact CB-CE2 3.47Å; Y805-G813 WeakPolarHBondContact CD1-O 3.46Å; Y805-E814 CarbonylContact C-O 3.44Å; Y805-E814 VanDerWaalsContact CA-O 3.25Å; Y805-E814 WeakPolarHBondContact CA-O 2.9Å; Y805-M815 HydrophobicContact CD1-CB 3.89Å; Y805-M815 HydrophobicContact CD1-CG 4.33Å; Y805-M815 HydrophobicContact CE1-CB 3.7Å; Y805-M815 HydrophobicContact CE1-CG 3.96Å; Y805-M815 HydrophobicContact CE1-SD 4.33Å |
| 806 | S | 94.9 | Very high | 83 | Confident | 5 Ų | 5 | 47 Ų | 47 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 138.5 | 165.8 | -166.4 | 0 | 0 | 0 | 0 | 111.1 | A808 N811 G813 E814 | S806-A808 PolarHBondContact OG-N 2.68Å; S806-N811 WeakPolarHBondContact CB-ND2 3.46Å; S806-N811 WeakPolarHBondContact CB-O 3.32Å; S806-N811 WeakPolarHBondContact CB-OD1 3.49Å; S806-N811 VanDerWaalsContact OG-CG 3.31Å; S806-N811 PolarHBondContact OG-ND2 3.25Å; S806-N811 PolarHBondContact OG-OD1 3.45Å; S806-G813 PolarHBondContact O-N 3.2Å; S806-E814 PolarHBondContact N-O 3.05Å |
| 807 | L | 92.8 | Very high | 85.3 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | trans | -104.3 | -6.7 | 167.8 | -67.7 | 174.7 | 0 | 0 | 0 | 112.2 | W745 L764 I778 G782 Q783 L785 L812 | W745-L807 HydrophobicContact CD2-CD2 4.05Å; W745-L807 HydrophobicContact CE3-CD2 3.91Å; W745-L807 HydrophobicContact CH2-CD1 3.64Å; W745-L807 HydrophobicContact CH2-CD2 3.81Å; W745-L807 HydrophobicContact CH2-CG 4.22Å; W745-L807 HydrophobicContact CZ2-CB 4.46Å; W745-L807 HydrophobicContact CZ2-CD1 4.29Å; W745-L807 HydrophobicContact CZ2-CD2 3.94Å; W745-L807 HydrophobicContact CZ2-CG 4.46Å; W745-L807 HydrophobicContact CZ3-CD1 3.98Å; W745-L807 HydrophobicContact CZ3-CD2 3.79Å; L764-L807 HydrophobicContact CD2-CD2 3.57Å; I778-L807 HydrophobicContact CG1-CD1 4.45Å; I778-L807 HydrophobicContact CG2-CD1 3.9Å; G782-L807 WeakPolarHBondContact O-CB 3.2Å; G782-L807 WeakPolarHBondContact O-CD1 3.38Å; Q783-L807 PolarHBondContact O-N 3.1Å; L785-L807 HydrophobicContact CB-CD1 3.92Å; L785-L807 HydrophobicContact CB-CD2 4.06Å; L785-L807 HydrophobicContact CB-CG 3.85Å; L785-L807 HydrophobicContact CD2-CD2 4.3Å; L807-L812 HydrophobicContact CD2-CD1 4.05Å | ||
| 808 | A | 88.2 | Confident | 87.4 | Confident | 7 Ų | 7 | 40.1 Ų | 40.1 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -65.9 | 136.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S806 H810 N811 L812 | S806-A808 PolarHBondContact OG-N 2.68Å; A808-H810 PolarHBondContact O-N 3.29Å; A808-N811 CarbonylContact O-C 3.55Å; A808-N811 PolarHBondContact O-N 2.94Å; A808-N811 PolarHBondContact O-OD1 3.09Å; A808-L812 PolarHBondContact O-N 2.92Å |
| 809 | P | 85.9 | Confident | 89 | Confident | 100 Ų | 100 | 39.7 Ų | 39.7 | 65% | 0.649 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -7.1 | -169.2 | -28.8 | 35.7 | 0 | 0 | 0 | 117.6 | ||
| 810 | H | 86.6 | Confident | 90 | Very high | 159 Ų | 159 | 40.2 Ų | 40.2 | 74% | 0.736 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -18.8 | 177.1 | 61.6 | -89.4 | 0 | 0 | 0 | 113.7 | A808 | A808-H810 PolarHBondContact O-N 3.29Š|
| 811 | N | 90.2 | Very high | 90 | Very high | 34 Ų | 34 | 40.2 Ų | 40.2 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -145.3 | 31.7 | 178.9 | 69.1 | -23.3 | 0 | 0 | 0 | 112.9 | S806 A808 G813 E814 | S806-N811 WeakPolarHBondContact CB-ND2 3.46Å; S806-N811 WeakPolarHBondContact CB-O 3.32Å; S806-N811 WeakPolarHBondContact CB-OD1 3.49Å; S806-N811 VanDerWaalsContact OG-CG 3.31Å; S806-N811 PolarHBondContact OG-ND2 3.25Å; S806-N811 PolarHBondContact OG-OD1 3.45Å; A808-N811 CarbonylContact O-C 3.55Å; A808-N811 PolarHBondContact O-N 2.94Å; A808-N811 PolarHBondContact O-OD1 3.09Å; N811-G813 PolarHBondContact O-N 3.03Å; N811-E814 HydrophobicContact CB-CB 4.08Å; N811-E814 WeakPolarHBondContact CB-OE2 3.48Å; N811-E814 PolarHBondContact ND2-OE2 2.79Å; N811-E814 WeakPolarHBondContact O-CB 3.47Å; N811-E814 PolarHBondContact O-N 3.09Å |
| 812 | L | 92 | Very high | 89.1 | Confident | 84 Ų | 84 | 40 Ų | 40 | 44% | 0.44 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 124.1 | 177.2 | 177.5 | 62.8 | 0 | 0 | 0 | 111.5 | L764 L807 A808 | L764-L812 HydrophobicContact CD1-CD1 3.59Å; L764-L812 HydrophobicContact CD1-CG 3.91Å; L807-L812 HydrophobicContact CD2-CD1 4.05Å; A808-L812 PolarHBondContact O-N 2.92Å |
| 813 | G | 88.8 | Confident | 87.7 | Confident | 27 Ų | 27 | 41.2 Ų | 41.2 | 28% | 0.278 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -1.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L764 Y805 S806 N811 M815 | L764-G813 VanDerWaalsContact CD1-CA 3.44Å; Y805-G813 WeakPolarHBondContact CD1-O 3.46Å; S806-G813 PolarHBondContact O-N 3.2Å; N811-G813 PolarHBondContact O-N 3.03Å; G813-M815 PolarHBondContact O-N 3.49Å |
| 814 | E | 91.4 | Very high | 86.8 | Confident | 73 Ų | 73 | 41.5 Ų | 41.5 | 34% | 0.341 | 22% | 0.22 | S | C | . | . | trans | -70.7 | 127.1 | 174.7 | -173.6 | 176.2 | -139.9 | 0 | 0 | 111.4 | Y805 S806 N811 L816 H866 | Y805-E814 CarbonylContact C-O 3.44Å; Y805-E814 VanDerWaalsContact CA-O 3.25Å; Y805-E814 WeakPolarHBondContact CA-O 2.9Å; S806-E814 PolarHBondContact N-O 3.05Å; N811-E814 HydrophobicContact CB-CB 4.08Å; N811-E814 WeakPolarHBondContact CB-OE2 3.48Å; N811-E814 PolarHBondContact ND2-OE2 2.79Å; N811-E814 WeakPolarHBondContact O-CB 3.47Å; N811-E814 PolarHBondContact O-N 3.09Å; E814-L816 HydrophobicContact CG-CD2 4.06Å; E814-L816 PolarHBondContact O-N 3.12Å; E814-L816 WeakPolarHBondContact OE2-CD2 3.29Å; E814-H866 IonicContact OE1-CD2 2.74Å; E814-H866 IonicContact OE1-CE1 3.95Å; E814-H866 IonicContact OE1-NE2 3.64Å; E814-H866 PolarHBondContact OE1-NE2 3.46Å; E814-H866 IonicContact OE2-CE1 3.63Å; E814-H866 IonicContact OE2-NE2 3.04Å | ||
| 815 | M | 91.8 | Very high | 86.2 | Confident | 84 Ų | 84 | 41.7 Ų | 41.7 | 41% | 0.414 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 95 | 179.5 | -171.3 | 174.7 | 64.1 | 0 | 0 | 111 | I789 A803 Y805 G813 T818 | I789-M815 HydrophobicContact CD1-SD 4.15Å; A803-M815 HydrophobicContact CB-CG 4.09Å; A803-M815 HydrophobicContact CB-SD 3.9Å; Y805-M815 HydrophobicContact CD1-CB 3.89Å; Y805-M815 HydrophobicContact CD1-CG 4.33Å; Y805-M815 HydrophobicContact CE1-CB 3.7Å; Y805-M815 HydrophobicContact CE1-CG 3.96Å; Y805-M815 HydrophobicContact CE1-SD 4.33Å; G813-M815 PolarHBondContact O-N 3.49Å; M815-T818 HydrophobicContact CE-CG2 3.69Å; M815-T818 HydrophobicContact CG-CG2 3.74Å; M815-T818 HydrophobicContact SD-CG2 3.42Å; M815-T818 WeakPolarHBondContact SD-CG2 3.1Å |
| 816 | L | 92.1 | Very high | 85.6 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -39.6 | -173 | -62.9 | -178.6 | 0 | 0 | 0 | 113.9 | L784 V804 E814 A865 H866 | L784-L816 HydrophobicContact CD2-CD1 3.82Å; V804-L816 PolarHBondContact O-N 2.71Å; E814-L816 HydrophobicContact CG-CD2 4.06Å; E814-L816 PolarHBondContact O-N 3.12Å; E814-L816 WeakPolarHBondContact OE2-CD2 3.29Å; L816-A865 HydrophobicContact CD2-CB 4.48Å; L816-A865 CarbonylContact O-C 3.6Å; L816-A865 WeakPolarHBondContact O-CA 3.49Å; L816-H866 PolarHBondContact O-N 2.73Å |
| 817 | Y | 93.4 | Very high | 85.4 | Confident | 40 Ų | 40 | 41.6 Ų | 41.6 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 141.7 | -176.7 | -51.2 | -92.7 | 0 | 0 | 0 | 110.7 | A803 V804 L862 A865 S871 | A803-Y817 CarbonylContact C-O 3.59Å; A803-Y817 WeakPolarHBondContact CA-O 3.42Å; V804-Y817 HydrophobicContact CB-CD2 4.12Å; V804-Y817 HydrophobicContact CG1-CD2 4.21Å; V804-Y817 PolarHBondContact N-O 3.21Å; V804-Y817 PolarHBondContact O-N 2.93Å; Y817-L862 HydrophobicContact CD1-CB 3.97Å; Y817-L862 HydrophobicContact CD1-CD2 4.11Å; Y817-L862 HydrophobicContact CD1-CG 4.48Å; Y817-L862 HydrophobicContact CD2-CD1 3.96Å; Y817-L862 HydrophobicContact CD2-CD2 4.33Å; Y817-L862 HydrophobicContact CE1-CB 3.7Å; Y817-L862 HydrophobicContact CE2-CB 4.28Å; Y817-L862 HydrophobicContact CE2-CD1 3.94Å; Y817-L862 HydrophobicContact CG-CB 4.42Å; Y817-L862 HydrophobicContact CG-CD1 4.4Å; Y817-L862 HydrophobicContact CG-CD2 3.95Å; Y817-L862 HydrophobicContact CG-CG 4.48Å; Y817-A865 HydrophobicContact CE1-CB 4.31Å; Y817-S871 WeakPolarHBondContact CA-OG 3.28Å |
| 818 | T | 92.1 | Very high | 85.5 | Confident | 21 Ų | 21 | 41.2 Ų | 41.2 | 13% | 0.129 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147.4 | 175 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | L802 A803 M815 G868 S871 | L802-T818 CarbonylContact O-C 3.51Å; L802-T818 VanDerWaalsContact O-CA 3.26Å; L802-T818 WeakPolarHBondContact O-CA 3.38Å; A803-T818 HydrophobicContact CB-CG2 4.4Å; M815-T818 HydrophobicContact CE-CG2 3.69Å; M815-T818 HydrophobicContact CG-CG2 3.74Å; M815-T818 HydrophobicContact SD-CG2 3.42Å; M815-T818 WeakPolarHBondContact SD-CG2 3.1Å; T818-G868 VanDerWaalsContact O-O 3.07Å; T818-G868 VanDerWaalsContact OG1-C 3.28Å; T818-G868 WeakPolarHBondContact OG1-CA 3.18Å; T818-G868 PolarHBondContact OG1-O 3.35Å; T818-S871 PolarHBondContact N-OG 3.03Å; T818-S871 PolarHBondContact O-OG 2.89Å |
| 819 | K | 88.8 | Confident | 85.8 | Confident | 52 Ų | 52 | 41 Ų | 41 | 23% | 0.226 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 131.3 | 168.4 | -163.4 | 56.1 | 170 | 171.7 | 0 | 112.2 | I801 L802 F821 F860 E869 M872 | I801-K819 CarbonylContact C-O 3.4Å; L802-K819 PolarHBondContact N-O 2.86Å; L802-K819 PolarHBondContact O-N 2.84Å; K819-F821 HydrophobicContact CB-CE2 3.93Å; K819-F821 HydrophobicContact CB-CZ 4.46Å; K819-F821 HydrophobicContact CG-CE2 4.12Å; K819-F821 HydrophobicContact CG-CZ 4.26Å; K819-F821 WeakPolarHBondContact O-CD2 3.46Å; K819-F860 HydrophobicContact CG-CD1 4.43Å; K819-F860 HydrophobicContact CG-CE1 4.03Å; K819-E869 WeakPolarHBondContact CD-O 3.29Å; K819-E869 PolarHBondContact NZ-O 2.95Å; K819-M872 HydrophobicContact CB-CB 4.23Å; K819-M872 HydrophobicContact CB-CG 4.3Å; K819-M872 HydrophobicContact CB-SD 3.71Å; K819-M872 HydrophobicContact CG-CB 4.5Å |
| 820 | R | 85.5 | Confident | 86.2 | Confident | 74 Ų | 74 | 36.7 Ų | 36.7 | 28% | 0.279 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 141.2 | 174.2 | -60.1 | -168.2 | -171.3 | -131.1 | 5.7 | 111.8 | E799 I801 E869 | E799-R820 IonicContact OE2-CZ 3.6Å; E799-R820 IonicContact OE2-NH1 3.71Å; E799-R820 PolarHBondContact OE2-NH1 2.82Å; I801-R820 HydrophobicContact CG1-CG 4.31Å; R820-E869 WeakPolarHBondContact CD-OE1 3.35Å; R820-E869 HydrophobicContact CG-CG 4.4Å; R820-E869 IonicContact CZ-OE1 3.58Å; R820-E869 IonicContact NE-OE1 3.51Å; R820-E869 PolarHBondContact NE-OE1 3.05Å; R820-E869 IonicContact NH2-OE1 2.75Å |
| 821 | F | 76.1 | Confident | 86.5 | Confident | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 160.7 | 167.2 | -64.5 | -90.7 | 0 | 0 | 0 | 109.3 | G800 L802 K819 A825 V839 L841 F860 | G800-F821 PolarHBondContact N-O 2.76Å; G800-F821 CarbonylContact O-C 3.51Å; G800-F821 WeakPolarHBondContact O-CA 3.34Å; G800-F821 WeakPolarHBondContact O-CB 3.31Å; G800-F821 PolarHBondContact O-N 3.24Å; L802-F821 HydrophobicContact CB-CD2 3.95Å; L802-F821 HydrophobicContact CB-CE2 3.61Å; L802-F821 HydrophobicContact CD2-CE2 4.2Å; K819-F821 HydrophobicContact CB-CE2 3.93Å; K819-F821 HydrophobicContact CB-CZ 4.46Å; K819-F821 HydrophobicContact CG-CE2 4.12Å; K819-F821 HydrophobicContact CG-CZ 4.26Å; K819-F821 WeakPolarHBondContact O-CD2 3.46Å; F821-A825 HydrophobicContact CB-CB 4Å; F821-A825 HydrophobicContact CG-CB 4.3Å; F821-V839 HydrophobicContact CD1-CG1 4.18Å; F821-V839 HydrophobicContact CE1-CB 4.06Å; F821-V839 HydrophobicContact CE1-CG1 3.99Å; F821-V839 HydrophobicContact CE1-CG2 4.21Å; F821-V839 HydrophobicContact CE2-CG1 4.5Å; F821-V839 HydrophobicContact CE2-CG2 3.97Å; F821-V839 HydrophobicContact CZ-CB 4Å; F821-V839 HydrophobicContact CZ-CG1 4.17Å; F821-V839 HydrophobicContact CZ-CG2 3.63Å; F821-L841 HydrophobicContact CD1-CD2 4.37Å; F821-F860 AromaticContact CE1-CE2 3.59Å; F821-F860 HydrophobicContact CE1-CE2 3.59Å; F821-F860 AromaticContact CE1-CZ 3.66Å; F821-F860 HydrophobicContact CE1-CZ 3.66Å; F821-F860 HydrophobicContact CZ-CD2 4.14Å; F821-F860 HydrophobicContact CZ-CE1 4.46Å; F821-F860 AromaticContact CZ-CE2 3.39Å; F821-F860 HydrophobicContact CZ-CE2 3.39Å; F821-F860 AromaticContact CZ-CZ 3.59Å; F821-F860 HydrophobicContact CZ-CZ 3.59Å |
| 822 | G | 66 | Low | 86.3 | Confident | 23 Ų | 23 | 28.6 Ų | 28.6 | 24% | 0.237 | 15% | 0.153 | C | C | . | . | trans | -69 | -179.8 | 166 | 0 | 0 | 0 | 0 | 0 | 112.3 | N824 | G822-N824 PolarHBondContact O-N 2.99Š| ||
| 823 | P | 63.8 | Low | 86 | Confident | 25 Ų | 25 | 26.1 Ų | 26.1 | 16% | 0.162 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 4.2 | -179.5 | 25.4 | -34.4 | 0 | 0 | 0 | 114.8 | D798 | D798-P823 HydrophobicContact CB-CB 3.91Å; D798-P823 HydrophobicContact CB-CG 3.9Å; D798-P823 VanDerWaalsContact O-CA 3.29Å; D798-P823 WeakPolarHBondContact O-CA 3.47Å; D798-P823 VanDerWaalsContact O-CB 3.28Å; D798-P823 WeakPolarHBondContact O-CB 3.3Å; D798-P823 WeakPolarHBondContact O-CD 3.37Å |
| 824 | N | 71.8 | Confident | 86 | Confident | 6 Ų | 6 | 25.2 Ų | 25.2 | 3% | 0.032 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -6.3 | -170.3 | -67.6 | 40.3 | 0 | 0 | 0 | 113.1 | S730 G822 I826 L841 A842 | S730-N824 PolarHBondContact O-ND2 3.5Å; G822-N824 PolarHBondContact O-N 2.99Å; N824-I826 PolarHBondContact O-N 3.35Å; N824-L841 CarbonylContact O-C 3.55Å; N824-L841 VanDerWaalsContact O-CA 3.28Å; N824-L841 WeakPolarHBondContact O-CA 3.1Å; N824-A842 HydrophobicContact CB-CB 4.12Å; N824-A842 WeakPolarHBondContact CB-O 3.22Å; N824-A842 PolarHBondContact ND2-O 3.09Å; N824-A842 PolarHBondContact O-N 3.03Å |
| 825 | A | 83.3 | Confident | 85.9 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 3% | 0.025 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 122.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y771 F788 F821 V839 L841 | Y771-A825 WeakPolarHBondContact CE2-O 3.27Å; F788-A825 HydrophobicContact CD1-CB 4.16Å; F788-A825 HydrophobicContact CE1-CB 3.62Å; F788-A825 HydrophobicContact CZ-CB 3.93Å; F821-A825 HydrophobicContact CB-CB 4Å; F821-A825 HydrophobicContact CG-CB 4.3Å; A825-V839 HydrophobicContact CB-CG1 3.72Å; A825-L841 HydrophobicContact CB-CD2 4.18Å |
| 826 | I | 82.4 | Confident | 85.9 | Confident | 24 Ų | 24 | 20 Ų | 20 | 12% | 0.123 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | -40.9 | -170.8 | -71.7 | 168.7 | 0 | 0 | 0 | 112.3 | Y771 S775 N824 G840 A842 S891 | Y771-I826 HydrophobicContact CD2-CB 4.37Å; Y771-I826 HydrophobicContact CD2-CG1 4.48Å; Y771-I826 HydrophobicContact CD2-CG2 4.32Å; Y771-I826 WeakPolarHBondContact CD2-O 3.32Å; Y771-I826 HydrophobicContact CG-CG2 4.48Å; S775-I826 WeakPolarHBondContact CA-O 3.15Å; S775-I826 WeakPolarHBondContact CB-O 3.07Å; S775-I826 PolarHBondContact OG-O 2.75Å; N824-I826 PolarHBondContact O-N 3.35Å; I826-G840 PolarHBondContact N-O 3.06Å; I826-A842 HydrophobicContact CD1-CB 3.82Å; I826-S891 WeakPolarHBondContact CD1-OG 3.31Å |
| 827 | S | 90.7 | Very high | 86 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 149.3 | -179.4 | 48.1 | 0 | 0 | 0 | 0 | 111.5 | A774 V839 G840 I892 | A774-S827 CarbonylContact O-C 3.5Å; A774-S827 WeakPolarHBondContact O-CA 3.38Å; A774-S827 WeakPolarHBondContact O-CB 3.42Å; S827-V839 CarbonylContact O-C 3.54Å; S827-V839 WeakPolarHBondContact O-CA 3.42Å; S827-G840 PolarHBondContact N-O 3.49Å; S827-G840 PolarHBondContact O-N 2.84Å; S827-I892 WeakPolarHBondContact OG-CG2 3.4Å |
| 828 | V | 94.2 | Very high | 86 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 145.9 | 175 | 61.4 | 0 | 0 | 0 | 0 | 109.3 | A774 A786 F788 L802 V837 M838 | A774-V828 PolarHBondContact O-N 3.06Å; A786-V828 HydrophobicContact CB-CG1 4.19Å; A786-V828 HydrophobicContact CB-CG2 3.78Å; F788-V828 HydrophobicContact CE2-CB 4.14Å; F788-V828 HydrophobicContact CE2-CG1 4.21Å; F788-V828 HydrophobicContact CZ-CB 3.86Å; F788-V828 HydrophobicContact CZ-CG1 4.4Å; L802-V828 HydrophobicContact CD1-CB 4.46Å; L802-V828 HydrophobicContact CD1-CG2 3.88Å; L802-V828 HydrophobicContact CD2-CG2 4.47Å; V828-V837 HydrophobicContact CG2-CG2 3.44Å; V828-V837 VanDerWaalsContact CG2-CG2 3.44Å; V828-M838 CarbonylContact C-O 3.56Å; V828-M838 VanDerWaalsContact CA-O 3.29Å; V828-M838 WeakPolarHBondContact CA-O 3.31Å |
| 829 | S | 95.4 | Very high | 86 | Confident | 4 Ų | 4 | 16.2 Ų | 16.2 | 3% | 0.028 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 138.1 | 164.8 | -172.7 | 0 | 0 | 0 | 0 | 112.5 | D777 M838 W897 | D777-S829 WeakPolarHBondContact OD2-CA 3.43Å; D777-S829 WeakPolarHBondContact OD2-CB 3.47Å; D777-S829 PolarHBondContact OD2-OG 3.26Å; S829-M838 PolarHBondContact N-O 3.44Å; S829-M838 PolarHBondContact O-N 2.72Å; S829-W897 PolarHBondContact O-NE1 2.95Å; S829-W897 VanDerWaalsContact O-NE1 3.1Å; S829-W897 PolarHBondContact OG-N 3.11Å |
| 830 | L | 94.1 | Very high | 86 | Confident | 9 Ų | 9 | 13.8 Ų | 13.8 | 5% | 0.047 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 141.9 | 175.7 | -69.7 | 167.7 | 0 | 0 | 0 | 109.7 | D777 L784 A786 V837 | D777-L830 PolarHBondContact OD2-N 2.88Å; L784-L830 HydrophobicContact CB-CD1 4.11Å; A786-L830 HydrophobicContact CB-CD1 4Å; A786-L830 HydrophobicContact CB-CD2 4.19Å; A786-L830 HydrophobicContact CB-CG 3.97Å; L830-V837 HydrophobicContact CD2-CB 4.04Å; L830-V837 HydrophobicContact CD2-CG2 3.98Å |
| 831 | S | 92.2 | Very high | 86 | Confident | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.007 | 6% | 0.063 | C | C | . | . | trans | -69.8 | 160 | 179 | 77.4 | 0 | 0 | 0 | 0 | 111.5 | E34 M833 G834 R835 Y836 | E34-S831 WeakPolarHBondContact OE1-CB 3.44Å; E34-S831 PolarHBondContact OE1-OG 2.92Å; S831-M833 PolarHBondContact O-N 2.83Å; S831-G834 PolarHBondContact O-N 3.07Å; S831-R835 PolarHBondContact OG-N 3.01Å; S831-Y836 WeakPolarHBondContact CB-O 2.97Å; S831-Y836 PolarHBondContact N-O 3.49Å; S831-Y836 PolarHBondContact OG-N 3.21Å; S831-Y836 VanDerWaalsContact OG-N 3.11Å; S831-Y836 PolarHBondContact OG-O 3.12Å | ||
| 832 | P | 86.6 | Confident | 86 | Confident | 21 Ų | 21 | 10.8 Ų | 10.8 | 14% | 0.136 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.2 | -175.4 | -27 | 36.4 | 0 | 0 | 0 | 115 | L898 P899 P901 | P832-L898 WeakPolarHBondContact CG-O 3.34Å; P832-P899 WeakPolarHBondContact CB-O 3.4Å; P832-P899 WeakPolarHBondContact CG-O 3.45Å; P832-P901 HydrophobicContact CB-CG 4.07Å |
| 833 | M | 85.8 | Confident | 85.9 | Confident | 33 Ų | 33 | 9.9 Ų | 9.9 | 16% | 0.163 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 2.1 | 173.6 | -54.7 | -77.3 | 83.6 | 0 | 0 | 113.9 | Q30 E34 S831 R835 P901 | Q30-M833 HydrophobicContact CB-SD 3.65Å; E34-M833 WeakPolarHBondContact OE1-CB 3.49Å; E34-M833 PolarHBondContact OE1-N 2.8Å; S831-M833 PolarHBondContact O-N 2.83Å; M833-R835 VanDerWaalsContact C-N 3.28Å; M833-R835 HydrophobicContact CB-CG 4.2Å; M833-R835 WeakPolarHBondContact O-CG 3.38Å; M833-R835 PolarHBondContact O-N 2.87Å; M833-P901 HydrophobicContact CE-CG 3.84Å; M833-P901 HydrophobicContact CG-CB 4.26Å; M833-P901 HydrophobicContact CG-CG 3.96Å; M833-P901 HydrophobicContact SD-CG 4.02Å |
| 834 | G | 88.4 | Confident | 85.4 | Confident | 8 Ų | 8 | 12.5 Ų | 12.5 | 8% | 0.082 | 6% | 0.062 | C | C | . | . | S | Bend | trans | 71.8 | 10.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S831 L862 | S831-G834 PolarHBondContact O-N 3.07Å; G834-L862 WeakPolarHBondContact O-CD1 3.27Å |
| 835 | R | 89.3 | Confident | 84.4 | Confident | 42 Ų | 42 | 15.6 Ų | 15.6 | 16% | 0.158 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -99.4 | -17.3 | -171.5 | -53.7 | -175.4 | -53 | 150.8 | 15.7 | 114.2 | E31 E34 D35 S831 M833 L862 | E31-R835 PolarHBondContact O-NH2 2.93Å; E31-R835 IonicContact OE2-NH1 3.87Å; E34-R835 IonicContact OE2-CZ 2.73Å; E34-R835 IonicContact OE2-NE 3.36Å; E34-R835 PolarHBondContact OE2-NE 2.92Å; E34-R835 IonicContact OE2-NH2 3.14Å; E34-R835 PolarHBondContact OE2-NH2 3.03Å; D35-R835 IonicContact OD1-NH1 3.43Å; D35-R835 IonicContact OD1-NH2 3.48Å; D35-R835 IonicContact OD2-CZ 3.18Å; D35-R835 IonicContact OD2-NH1 2.7Å; D35-R835 PolarHBondContact OD2-NH1 2.7Å; D35-R835 IonicContact OD2-NH2 3Å; D35-R835 PolarHBondContact OD2-NH2 2.78Å; S831-R835 PolarHBondContact OG-N 3.01Å; M833-R835 VanDerWaalsContact C-N 3.28Å; M833-R835 HydrophobicContact CB-CG 4.2Å; M833-R835 WeakPolarHBondContact O-CG 3.38Å; M833-R835 PolarHBondContact O-N 2.87Å; R835-L862 PolarHBondContact O-N 3.11Å |
| 836 | Y | 92.1 | Very high | 82.7 | Confident | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 149.1 | 174.9 | -60.9 | -97.9 | 0 | 0 | 0 | 110.1 | E34 D35 R38 S831 V859 F860 R861 V875 | E34-Y836 HydrophobicContact CG-CD2 3.86Å; E34-Y836 HydrophobicContact CG-CE2 3.88Å; E34-Y836 WeakPolarHBondContact OE2-CD2 3.16Å; D35-Y836 PolarHBondContact OD1-OH 3.11Å; R38-Y836 WeakPolarHBondContact CD-OH 3.42Å; R38-Y836 PolarHBondContact NH1-OH 2.7Å; R38-Y836 VanDerWaalsContact NH1-OH 3.11Å; S831-Y836 WeakPolarHBondContact CB-O 2.97Å; S831-Y836 PolarHBondContact N-O 3.49Å; S831-Y836 PolarHBondContact OG-N 3.21Å; S831-Y836 VanDerWaalsContact OG-N 3.11Å; S831-Y836 PolarHBondContact OG-O 3.12Å; Y836-V859 HydrophobicContact CD1-CG1 4.32Å; Y836-F860 CarbonylContact C-O 3.56Å; Y836-F860 WeakPolarHBondContact CA-O 3.24Å; Y836-F860 WeakPolarHBondContact CB-O 3.33Å; Y836-R861 HydrophobicContact CD1-CB 3.77Å; Y836-R861 HydrophobicContact CD1-CG 3.98Å; Y836-R861 HydrophobicContact CE1-CB 3.6Å; Y836-R861 HydrophobicContact CE1-CG 3.54Å; Y836-R861 WeakPolarHBondContact OH-CD 3.44Å; Y836-R861 PolarHBondContact OH-NE 3.42Å; Y836-V875 HydrophobicContact CD1-CG2 4.11Å; Y836-V875 HydrophobicContact CE1-CG2 4Å |
| 837 | V | 93.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 132.4 | 173.6 | 65.6 | 0 | 0 | 0 | 0 | 109.2 | L802 V828 L830 F860 L862 M872 | L802-V837 HydrophobicContact CD2-CG1 4.03Å; L802-V837 HydrophobicContact CD2-CG2 3.95Å; V828-V837 HydrophobicContact CG2-CG2 3.44Å; V828-V837 VanDerWaalsContact CG2-CG2 3.44Å; L830-V837 HydrophobicContact CD2-CB 4.04Å; L830-V837 HydrophobicContact CD2-CG2 3.98Å; V837-F860 HydrophobicContact CG1-CB 3.96Å; V837-F860 PolarHBondContact N-O 2.7Å; V837-F860 PolarHBondContact O-N 2.98Å; V837-L862 HydrophobicContact CG1-CD2 3.92Å; V837-M872 HydrophobicContact CG1-CE 4.41Å; V837-M872 HydrophobicContact CG1-SD 3.89Å |
| 838 | M | 93.2 | Very high | 79 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 137 | 174.4 | 174.5 | 175.1 | 55 | 0 | 0 | 108.8 | V828 S829 A857 V859 A895 W897 L905 | V828-M838 CarbonylContact C-O 3.56Å; V828-M838 VanDerWaalsContact CA-O 3.29Å; V828-M838 WeakPolarHBondContact CA-O 3.31Å; S829-M838 PolarHBondContact N-O 3.44Å; S829-M838 PolarHBondContact O-N 2.72Å; M838-A857 HydrophobicContact CG-CB 4.22Å; M838-A857 HydrophobicContact SD-CB 4.45Å; M838-V859 HydrophobicContact CB-CG2 4.14Å; M838-V859 HydrophobicContact CG-CG2 4.21Å; M838-A895 HydrophobicContact CE-CB 3.59Å; M838-A895 HydrophobicContact SD-CB 4.12Å; M838-W897 HydrophobicContact CB-CZ2 4.25Å; M838-L905 HydrophobicContact CE-CB 4.26Å; M838-L905 HydrophobicContact SD-CB 4.2Å; M838-L905 HydrophobicContact SD-CD1 4.05Å; M838-L905 HydrophobicContact SD-CD2 3.88Å; M838-L905 HydrophobicContact SD-CG 4.27Å |
| 839 | V | 92.4 | Very high | 76.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 116.8 | 172.6 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | F788 L802 F821 A825 S827 L841 A857 Q858 | F788-V839 HydrophobicContact CE1-CG1 4.05Å; F788-V839 HydrophobicContact CZ-CG1 4.06Å; L802-V839 HydrophobicContact CD2-CG2 3.69Å; F821-V839 HydrophobicContact CD1-CG1 4.18Å; F821-V839 HydrophobicContact CE1-CB 4.06Å; F821-V839 HydrophobicContact CE1-CG1 3.99Å; F821-V839 HydrophobicContact CE1-CG2 4.21Å; F821-V839 HydrophobicContact CE2-CG1 4.5Å; F821-V839 HydrophobicContact CE2-CG2 3.97Å; F821-V839 HydrophobicContact CZ-CB 4Å; F821-V839 HydrophobicContact CZ-CG1 4.17Å; F821-V839 HydrophobicContact CZ-CG2 3.63Å; A825-V839 HydrophobicContact CB-CG1 3.72Å; S827-V839 CarbonylContact O-C 3.54Å; S827-V839 WeakPolarHBondContact O-CA 3.42Å; V839-L841 HydrophobicContact CG1-CD2 3.91Å; V839-A857 CarbonylContact O-C 3.6Å; V839-A857 WeakPolarHBondContact O-CA 3.14Å; V839-A857 VanDerWaalsContact O-CB 3.27Å; V839-A857 WeakPolarHBondContact O-CB 3.43Å; V839-Q858 PolarHBondContact N-O 3.12Å; V839-Q858 PolarHBondContact O-N 3.43Å |
| 840 | G | 89.6 | Confident | 74.9 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 136 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I826 S827 | I826-G840 PolarHBondContact N-O 3.06Å; S827-G840 PolarHBondContact N-O 3.49Å; S827-G840 PolarHBondContact O-N 2.84Å |
| 841 | L | 84.5 | Confident | 73.4 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 147.4 | -168.4 | -55.8 | 175.4 | 0 | 0 | 0 | 112.5 | F821 N824 A825 V839 M855 V856 Q858 I892 | F821-L841 HydrophobicContact CD1-CD2 4.37Å; N824-L841 CarbonylContact O-C 3.55Å; N824-L841 VanDerWaalsContact O-CA 3.28Å; N824-L841 WeakPolarHBondContact O-CA 3.1Å; A825-L841 HydrophobicContact CB-CD2 4.18Å; V839-L841 HydrophobicContact CG1-CD2 3.91Å; L841-M855 HydrophobicContact CD1-CE 4.2Å; L841-V856 WeakPolarHBondContact CA-O 3.3Å; L841-V856 WeakPolarHBondContact CB-O 3.18Å; L841-V856 PolarHBondContact N-O 3.12Å; L841-Q858 HydrophobicContact CD1-CG 4.12Å; L841-I892 PolarHBondContact O-N 3.09Å |
| 842 | A | 75.8 | Confident | 72.3 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 117 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | N824 I826 R844 S891 | N824-A842 HydrophobicContact CB-CB 4.12Å; N824-A842 WeakPolarHBondContact CB-O 3.22Å; N824-A842 PolarHBondContact ND2-O 3.09Å; N824-A842 PolarHBondContact O-N 3.03Å; I826-A842 HydrophobicContact CD1-CB 3.82Å; A842-R844 PolarHBondContact O-N 3.18Å; A842-S891 WeakPolarHBondContact CA-OG 3.17Å |
| 843 | S | 64.6 | Low | 71.7 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 88.1 | 176.6 | -156.1 | 0 | 0 | 0 | 0 | 110.7 | R845 M855 V890 | S843-R845 VanDerWaalsContact C-N 3.34Å; S843-R845 PolarHBondContact O-N 3.26Å; S843-M855 WeakPolarHBondContact CB-O 3.47Å; S843-M855 PolarHBondContact OG-O 3.07Å; S843-V890 WeakPolarHBondContact CA-O 3.26Å; S843-V890 VanDerWaalsContact CB-O 3.24Å; S843-V890 WeakPolarHBondContact CB-O 3.4Å; S843-V890 PolarHBondContact N-O 3.2Å |
| 844 | R | 54 | Low | 71.3 | Confident | 80 Ų | 80 | 54.1 Ų | 54.1 | 30% | 0.302 | 28% | 0.278 | S | S | . | . | trans | -97.6 | 49.1 | 173.1 | -79.3 | -128.9 | -177.8 | 169.7 | -3.9 | 111.8 | S730 A731 V732 A842 I846 H889 | S730-R844 PolarHBondContact OG-N 2.83Å; A731-R844 WeakPolarHBondContact O-CB 3.33Å; V732-R844 WeakPolarHBondContact O-CD 3.47Å; V732-R844 PolarHBondContact O-NE 3Å; A842-R844 PolarHBondContact O-N 3.18Å; R844-I846 PolarHBondContact O-N 2.68Å; R844-I846 VanDerWaalsContact O-N 3.1Å; R844-H889 HydrophobicContact CG-CB 4.25Å; R844-H889 PolarHBondContact NE-CD2 3.47Å | ||
| 845 | R | 49.8 | Very low | 71 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 27% | 0.268 | 28% | 0.277 | S | S | . | . | trans | -67.1 | 106 | 172.6 | -82.6 | -170.5 | 171.1 | -171.1 | -5.1 | 111 | S843 L847 E853 | S843-R845 VanDerWaalsContact C-N 3.34Å; S843-R845 PolarHBondContact O-N 3.26Å; R845-L847 VanDerWaalsContact C-N 3.33Å; R845-L847 HydrophobicContact CB-CD1 3.71Å; R845-L847 HydrophobicContact CB-CG 3.92Å; R845-L847 HydrophobicContact CG-CD1 4.34Å; R845-L847 HydrophobicContact CG-CG 4.37Å; R845-L847 PolarHBondContact O-N 3.2Å; R845-E853 PolarHBondContact NH1-O 3.39Å | ||
| 846 | I | 48.1 | Very low | 70.7 | Confident | 159 Ų | 159 | 52.2 Ų | 52.2 | 82% | 0.815 | 27% | 0.269 | S | S | * | . | trans | -79.4 | 89.6 | 150.2 | -56.1 | 175.2 | 0 | 0 | 0 | 105.6 | R844 | R844-I846 PolarHBondContact O-N 2.68Å; R844-I846 VanDerWaalsContact O-N 3.1Å | ||
| 847 | L | 47.9 | Very low | 70.5 | Confident | 65 Ų | 65 | 52 Ų | 52 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | trans | -82.8 | 139.6 | 172 | -66.8 | 125.6 | 0 | 0 | 0 | 110.4 | R845 H849 S851 | R845-L847 VanDerWaalsContact C-N 3.33Å; R845-L847 HydrophobicContact CB-CD1 3.71Å; R845-L847 HydrophobicContact CB-CG 3.92Å; R845-L847 HydrophobicContact CG-CD1 4.34Å; R845-L847 HydrophobicContact CG-CG 4.37Å; R845-L847 PolarHBondContact O-N 3.2Å; L847-H849 VanDerWaalsContact C-N 3.28Å; L847-H849 WeakPolarHBondContact CB-O 3.5Å; L847-S851 WeakPolarHBondContact CD1-OG 3.38Å; L847-S851 VanDerWaalsContact CD2-OG 3.27Å; L847-S851 WeakPolarHBondContact CD2-OG 3.36Å | ||
| 848 | L | 47.4 | Very low | 70.3 | Confident | 173 Ų | 173 | 52.4 Ų | 52.4 | 91% | 0.906 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -77.3 | -16.8 | 162.4 | -67.4 | 165.2 | 0 | 0 | 0 | 112 | ||
| 849 | H | 48.9 | Very low | 70.2 | Confident | 149 Ų | 149 | 52.3 Ų | 52.3 | 69% | 0.69 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -115.1 | 138.5 | 176.3 | -65.6 | -70.8 | 0 | 0 | 0 | 111.9 | L847 S851 | L847-H849 VanDerWaalsContact C-N 3.28Å; L847-H849 WeakPolarHBondContact CB-O 3.5Å; H849-S851 VanDerWaalsContact C-N 3.29Å; H849-S851 PolarHBondContact O-N 3.31Å |
| 850 | P | 55.2 | Low | 70.2 | Confident | 113 Ų | 113 | 52.6 Ų | 52.6 | 73% | 0.734 | 27% | 0.271 | S | S | * | . | trans | -74.1 | 77.4 | 176.9 | 31.6 | -35.3 | 0 | 0 | 0 | 111.6 | ||||
| 851 | S | 62.1 | Low | 70.3 | Confident | 38 Ų | 38 | 55.6 Ų | 55.6 | 27% | 0.266 | 28% | 0.282 | S | S | . | . | trans | -79.2 | 120.6 | 171.9 | 69.5 | 0 | 0 | 0 | 0 | 110.6 | L847 H849 E853 | L847-S851 WeakPolarHBondContact CD1-OG 3.38Å; L847-S851 VanDerWaalsContact CD2-OG 3.27Å; L847-S851 WeakPolarHBondContact CD2-OG 3.36Å; H849-S851 VanDerWaalsContact C-N 3.29Å; H849-S851 PolarHBondContact O-N 3.31Å; S851-E853 PolarHBondContact O-N 3.33Å | ||
| 852 | T | 68.6 | Low | 70.6 | Confident | 80 Ų | 80 | 56 Ų | 56 | 49% | 0.491 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -71.7 | -6.4 | 174.8 | 47.8 | 0 | 0 | 0 | 0 | 113.7 | P881 M882 | T852-P881 CarbonylContact O-C 3.53Å; T852-M882 WeakPolarHBondContact CA-O 3.47Å; T852-M882 WeakPolarHBondContact CB-O 3.42Å; T852-M882 PolarHBondContact O-N 3.08Å |
| 853 | E | 75.1 | Confident | 71.1 | Confident | 111 Ų | 111 | 59.3 Ų | 59.3 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.7 | 178.6 | -64.9 | -173.2 | 154.4 | 0 | 0 | 111.7 | R845 S851 L879 | R845-E853 PolarHBondContact NH1-O 3.39Å; S851-E853 PolarHBondContact O-N 3.33Å; E853-L879 HydrophobicContact CB-CB 4.48Å; E853-L879 HydrophobicContact CB-CD1 4.26Å; E853-L879 VanDerWaalsContact OE2-CD1 3.31Å; E853-L879 WeakPolarHBondContact OE2-CD1 3.4Å |
| 854 | H | 77.4 | Confident | 71.9 | Confident | 18 Ų | 18 | 65 Ų | 65 | 8% | 0.083 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122 | 176.3 | -80.9 | -117 | 0 | 0 | 0 | 110.3 | V856 L879 Y880 M882 | H854-V856 PolarHBondContact O-N 3.16Å; H854-L879 CarbonylContact O-C 3.57Å; H854-L879 WeakPolarHBondContact O-CA 3.32Å; H854-Y880 PolarHBondContact N-O 3.14Å; H854-Y880 PolarHBondContact O-N 3.17Å; H854-M882 HydrophobicContact CB-CG 4.27Å |
| 855 | M | 81.7 | Confident | 73.4 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 5% | 0.054 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 125 | 168.7 | -178.6 | 176.2 | 71.2 | 0 | 0 | 109.5 | G728 L841 S843 Q858 N877 L879 | G728-M855 VanDerWaalsContact O-CE 3.31Å; G728-M855 WeakPolarHBondContact O-CE 3.48Å; L841-M855 HydrophobicContact CD1-CE 4.2Å; S843-M855 WeakPolarHBondContact CB-O 3.47Å; S843-M855 PolarHBondContact OG-O 3.07Å; M855-Q858 HydrophobicContact CE-CG 4.45Å; M855-Q858 HydrophobicContact CG-CG 4.46Å; M855-Q858 HydrophobicContact SD-CG 3.75Å; M855-Q858 PolarHBondContact SD-NE2 2.71Å; M855-N877 HydrophobicContact CG-CB 4.17Å; M855-N877 HydrophobicContact SD-CB 4.07Å; M855-N877 PolarHBondContact SD-ND2 3.33Å; M855-N877 VanDerWaalsContact SD-ND2 3.41Å; M855-L879 HydrophobicContact CB-CD2 3.93Å; M855-L879 HydrophobicContact CG-CD2 4.45Å |
| 856 | V | 82.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | -20.4 | -177.8 | -70.8 | 0 | 0 | 0 | 0 | 113.6 | L841 H854 V878 Y880 V890 I892 | L841-V856 WeakPolarHBondContact CA-O 3.3Å; L841-V856 WeakPolarHBondContact CB-O 3.18Å; L841-V856 PolarHBondContact N-O 3.12Å; H854-V856 PolarHBondContact O-N 3.16Å; V856-V878 HydrophobicContact CG2-CG1 4.23Å; V856-V878 WeakPolarHBondContact CG2-O 3.25Å; V856-V878 PolarHBondContact N-O 3.12Å; V856-Y880 HydrophobicContact CG1-CG 4.4Å; V856-V890 HydrophobicContact CG1-CB 4.41Å; V856-V890 HydrophobicContact CG1-CG1 3.88Å; V856-I892 HydrophobicContact CB-CD1 3.85Å; V856-I892 HydrophobicContact CB-CG1 4.08Å; V856-I892 HydrophobicContact CG2-CD1 3.85Å; V856-I892 HydrophobicContact CG2-CG1 4.44Å; V856-I892 WeakPolarHBondContact O-CD1 3.49Å |
| 857 | A | 88.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 163.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M838 V839 V878 I892 | M838-A857 HydrophobicContact CG-CB 4.22Å; M838-A857 HydrophobicContact SD-CB 4.45Å; V839-A857 CarbonylContact O-C 3.6Å; V839-A857 WeakPolarHBondContact O-CA 3.14Å; V839-A857 VanDerWaalsContact O-CB 3.27Å; V839-A857 WeakPolarHBondContact O-CB 3.43Å; A857-V878 HydrophobicContact CB-CB 3.88Å; A857-V878 HydrophobicContact CB-CG2 3.95Å; A857-V878 PolarHBondContact N-O 2.78Å; A857-V878 PolarHBondContact O-N 3.08Å; A857-I892 HydrophobicContact CB-CD1 4.08Å |
| 858 | Q | 88.9 | Confident | 78.2 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 3% | 0.033 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.7 | 173.6 | -70.3 | -179.2 | -13.3 | 0 | 0 | 109.8 | V839 L841 M855 F860 | V839-Q858 PolarHBondContact N-O 3.12Å; V839-Q858 PolarHBondContact O-N 3.43Å; L841-Q858 HydrophobicContact CD1-CG 4.12Å; M855-Q858 HydrophobicContact CE-CG 4.45Å; M855-Q858 HydrophobicContact CG-CG 4.46Å; M855-Q858 HydrophobicContact SD-CG 3.75Å; M855-Q858 PolarHBondContact SD-NE2 2.71Å; Q858-F860 HydrophobicContact CB-CD2 4.38Å; Q858-F860 HydrophobicContact CB-CE2 3.48Å; Q858-F860 VanDerWaalsContact CB-CE2 3.48Å; Q858-F860 HydrophobicContact CB-CZ 4.04Å |
| 859 | V | 90.9 | Very high | 79.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.8 | 178.6 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | Y836 M838 V875 F876 W897 | Y836-V859 HydrophobicContact CD1-CG1 4.32Å; M838-V859 HydrophobicContact CB-CG2 4.14Å; M838-V859 HydrophobicContact CG-CG2 4.21Å; V859-V875 PolarHBondContact O-N 3.32Å; V859-F876 HydrophobicContact CB-CD1 4.1Å; V859-F876 HydrophobicContact CB-CD2 4.36Å; V859-F876 HydrophobicContact CB-CE1 3.85Å; V859-F876 HydrophobicContact CB-CE2 4.13Å; V859-F876 HydrophobicContact CB-CG 4.34Å; V859-F876 HydrophobicContact CB-CZ 3.88Å; V859-F876 HydrophobicContact CG1-CD1 4.2Å; V859-F876 HydrophobicContact CG1-CE1 3.69Å; V859-F876 HydrophobicContact CG1-CZ 4Å; V859-F876 HydrophobicContact CG2-CD2 4.31Å; V859-F876 HydrophobicContact CG2-CE1 4.16Å; V859-F876 HydrophobicContact CG2-CE2 3.73Å; V859-F876 HydrophobicContact CG2-CZ 3.65Å; V859-F876 PolarHBondContact N-O 2.89Å; V859-W897 HydrophobicContact CG1-CH2 3.91Å; V859-W897 HydrophobicContact CG1-CZ2 3.78Å; V859-W897 HydrophobicContact CG2-CH2 4.36Å; V859-W897 HydrophobicContact CG2-CZ2 4.15Å |
| 860 | F | 91.9 | Very high | 81.5 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147 | -179.1 | -61.1 | -102.8 | 0 | 0 | 0 | 110.3 | K819 F821 Y836 V837 Q858 M872 R873 R874 | K819-F860 HydrophobicContact CG-CD1 4.43Å; K819-F860 HydrophobicContact CG-CE1 4.03Å; F821-F860 AromaticContact CE1-CE2 3.59Å; F821-F860 HydrophobicContact CE1-CE2 3.59Å; F821-F860 AromaticContact CE1-CZ 3.66Å; F821-F860 HydrophobicContact CE1-CZ 3.66Å; F821-F860 HydrophobicContact CZ-CD2 4.14Å; F821-F860 HydrophobicContact CZ-CE1 4.46Å; F821-F860 AromaticContact CZ-CE2 3.39Å; F821-F860 HydrophobicContact CZ-CE2 3.39Å; F821-F860 AromaticContact CZ-CZ 3.59Å; F821-F860 HydrophobicContact CZ-CZ 3.59Å; Y836-F860 CarbonylContact C-O 3.56Å; Y836-F860 WeakPolarHBondContact CA-O 3.24Å; Y836-F860 WeakPolarHBondContact CB-O 3.33Å; V837-F860 HydrophobicContact CG1-CB 3.96Å; V837-F860 PolarHBondContact N-O 2.7Å; V837-F860 PolarHBondContact O-N 2.98Å; Q858-F860 HydrophobicContact CB-CD2 4.38Å; Q858-F860 HydrophobicContact CB-CE2 3.48Å; Q858-F860 VanDerWaalsContact CB-CE2 3.48Å; Q858-F860 HydrophobicContact CB-CZ 4.04Å; F860-M872 HydrophobicContact CB-CB 4.2Å; F860-M872 HydrophobicContact CD1-CB 4.2Å; F860-R873 CarbonylContact C-O 3.59Å; F860-R873 WeakPolarHBondContact CA-O 3.48Å; F860-R874 HydrophobicContact CD1-CB 3.9Å; F860-R874 HydrophobicContact CE1-CB 3.68Å; F860-R874 HydrophobicContact CE1-CG 4.14Å; F860-R874 HydrophobicContact CZ-CB 4.33Å; F860-R874 HydrophobicContact CZ-CG 4.29Å |
| 861 | R | 91.9 | Very high | 83 | Confident | 64 Ų | 64 | 45.4 Ų | 45.4 | 24% | 0.242 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129 | 170.1 | -167.9 | 173.4 | -167.7 | -109.8 | 7.7 | 108.4 | D35 Y836 Q863 R873 V875 | D35-R861 IonicContact OD1-CZ 2.57Å; D35-R861 IonicContact OD1-NE 2.65Å; D35-R861 PolarHBondContact OD1-NE 2.91Å; D35-R861 IonicContact OD1-NH2 2.79Å; D35-R861 PolarHBondContact OD1-NH2 2.89Å; D35-R861 IonicContact OD2-NH2 2.81Å; D35-R861 PolarHBondContact OD2-NH2 3.04Å; Y836-R861 HydrophobicContact CD1-CB 3.77Å; Y836-R861 HydrophobicContact CD1-CG 3.98Å; Y836-R861 HydrophobicContact CE1-CB 3.6Å; Y836-R861 HydrophobicContact CE1-CG 3.54Å; Y836-R861 WeakPolarHBondContact OH-CD 3.44Å; Y836-R861 PolarHBondContact OH-NE 3.42Å; R861-Q863 HydrophobicContact CB-CG 4.32Å; R861-Q863 HydrophobicContact CG-CG 4.1Å; R861-R873 PolarHBondContact N-O 3.35Å; R861-R873 PolarHBondContact O-N 3.32Å; R861-V875 HydrophobicContact CB-CG2 3.71Å |
| 862 | L | 91.6 | Very high | 84.4 | Confident | 17 Ų | 17 | 43.8 Ų | 43.8 | 9% | 0.089 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 129.7 | 169.8 | -53.4 | -171.6 | 0 | 0 | 0 | 107.8 | L784 Y817 G834 R835 V837 M872 | L784-L862 HydrophobicContact CD1-CD1 4.32Å; Y817-L862 HydrophobicContact CD1-CB 3.97Å; Y817-L862 HydrophobicContact CD1-CD2 4.11Å; Y817-L862 HydrophobicContact CD1-CG 4.48Å; Y817-L862 HydrophobicContact CD2-CD1 3.96Å; Y817-L862 HydrophobicContact CD2-CD2 4.33Å; Y817-L862 HydrophobicContact CE1-CB 3.7Å; Y817-L862 HydrophobicContact CE2-CB 4.28Å; Y817-L862 HydrophobicContact CE2-CD1 3.94Å; Y817-L862 HydrophobicContact CG-CB 4.42Å; Y817-L862 HydrophobicContact CG-CD1 4.4Å; Y817-L862 HydrophobicContact CG-CD2 3.95Å; Y817-L862 HydrophobicContact CG-CG 4.48Å; G834-L862 WeakPolarHBondContact O-CD1 3.27Å; R835-L862 PolarHBondContact O-N 3.11Å; V837-L862 HydrophobicContact CG1-CD2 3.92Å; L862-M872 HydrophobicContact CD2-CE 3.99Å; L862-M872 HydrophobicContact CD2-CG 3.83Å; L862-M872 HydrophobicContact CD2-SD 4.11Å |
| 863 | Q | 85.2 | Confident | 85.4 | Confident | 81 Ų | 81 | 48 Ų | 48 | 38% | 0.379 | 24% | 0.244 | S | C | . | . | trans | -134.9 | -57.6 | -173.9 | -61.7 | -165.4 | 13.8 | 0 | 0 | 114 | R861 S871 | R861-Q863 HydrophobicContact CB-CG 4.32Å; R861-Q863 HydrophobicContact CG-CG 4.1Å; Q863-S871 PolarHBondContact N-O 2.93Å | ||
| 864 | Q | 81.9 | Confident | 86 | Confident | 121 Ų | 121 | 49 Ų | 49 | 57% | 0.565 | 24% | 0.243 | S | C | * | . | trans | -116.1 | 101.2 | -176.8 | -65.8 | -178.1 | 4.6 | 0 | 0 | 108.3 | G867 S871 | Q864-G867 PolarHBondContact O-N 3.45Å; Q864-S871 PolarHBondContact N-O 3.46Å; Q864-S871 WeakPolarHBondContact O-CA 3.28Å; Q864-S871 WeakPolarHBondContact O-CB 3.32Å | ||
| 865 | A | 86 | Confident | 86.5 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 36% | 0.355 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 144.9 | 169 | 0 | 0 | 0 | 0 | 0 | 109.3 | L816 Y817 G867 | L816-A865 HydrophobicContact CD2-CB 4.48Å; L816-A865 CarbonylContact O-C 3.6Å; L816-A865 WeakPolarHBondContact O-CA 3.49Å; Y817-A865 HydrophobicContact CE1-CB 4.31Å; A865-G867 PolarHBondContact O-N 3.47Å |
| 866 | H | 87 | Confident | 86.6 | Confident | 116 Ų | 116 | 51.4 Ų | 51.4 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -0.1 | -177.8 | -48.1 | 79.8 | 0 | 0 | 0 | 115.7 | E814 L816 G868 | E814-H866 IonicContact OE1-CD2 2.74Å; E814-H866 IonicContact OE1-CE1 3.95Å; E814-H866 IonicContact OE1-NE2 3.64Å; E814-H866 PolarHBondContact OE1-NE2 3.46Å; E814-H866 IonicContact OE2-CE1 3.63Å; E814-H866 IonicContact OE2-NE2 3.04Å; L816-H866 PolarHBondContact O-N 2.73Å; H866-G868 PolarHBondContact O-N 3.1Å |
| 867 | G | 74.9 | Confident | 86.8 | Confident | 24 Ų | 24 | 54.1 Ų | 54.1 | 25% | 0.247 | 27% | 0.271 | C | S | . | . | trans | -70 | 13.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116 | Q864 A865 E869 T870 S871 | Q864-G867 PolarHBondContact O-N 3.45Å; A865-G867 PolarHBondContact O-N 3.47Å; G867-E869 PolarHBondContact O-N 3.04Å; G867-T870 PolarHBondContact O-N 2.95Å; G867-T870 PolarHBondContact O-OG1 2.83Å; G867-S871 PolarHBondContact O-N 2.92Å | ||
| 868 | G | 83.9 | Confident | 86.6 | Confident | 32 Ų | 32 | 54.6 Ų | 54.6 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | 50.9 | -132.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112 | T818 H866 T870 S871 | T818-G868 VanDerWaalsContact O-O 3.07Å; T818-G868 VanDerWaalsContact OG1-C 3.28Å; T818-G868 WeakPolarHBondContact OG1-CA 3.18Å; T818-G868 PolarHBondContact OG1-O 3.35Å; H866-G868 PolarHBondContact O-N 3.1Å; G868-T870 PolarHBondContact O-N 3.2Å; G868-T870 VanDerWaalsContact O-N 3.11Å; G868-S871 WeakPolarHBondContact O-CB 3.21Å; G868-S871 PolarHBondContact O-N 3.13Å; G868-S871 PolarHBondContact O-OG 3.27Å |
| 869 | E | 81.9 | Confident | 86.4 | Confident | 86 Ų | 86 | 57.8 Ų | 57.8 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -66.8 | -11.2 | -179.4 | -63.7 | -175.6 | -144.8 | 0 | 0 | 115.4 | K819 R820 G867 | K819-E869 WeakPolarHBondContact CD-O 3.29Å; K819-E869 PolarHBondContact NZ-O 2.95Å; R820-E869 WeakPolarHBondContact CD-OE1 3.35Å; R820-E869 HydrophobicContact CG-CG 4.4Å; R820-E869 IonicContact CZ-OE1 3.58Å; R820-E869 IonicContact NE-OE1 3.51Å; R820-E869 PolarHBondContact NE-OE1 3.05Å; R820-E869 IonicContact NH2-OE1 2.75Å; G867-E869 PolarHBondContact O-N 3.04Å |
| 870 | T | 83.4 | Confident | 86 | Confident | 98 Ų | 98 | 58.1 Ų | 58.1 | 60% | 0.601 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -92.8 | -9.1 | 173.1 | 70.9 | 0 | 0 | 0 | 0 | 112.7 | G867 G868 M872 | G867-T870 PolarHBondContact O-N 2.95Å; G867-T870 PolarHBondContact O-OG1 2.83Å; G868-T870 PolarHBondContact O-N 3.2Å; G868-T870 VanDerWaalsContact O-N 3.11Å; T870-M872 PolarHBondContact O-N 3.34Å |
| 871 | S | 88.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -56.8 | -33.5 | 177.2 | 69.3 | 0 | 0 | 0 | 0 | 113.2 | Y817 T818 Q863 Q864 G867 G868 | Y817-S871 WeakPolarHBondContact CA-OG 3.28Å; T818-S871 PolarHBondContact N-OG 3.03Å; T818-S871 PolarHBondContact O-OG 2.89Å; Q863-S871 PolarHBondContact N-O 2.93Å; Q864-S871 PolarHBondContact N-O 3.46Å; Q864-S871 WeakPolarHBondContact O-CA 3.28Å; Q864-S871 WeakPolarHBondContact O-CB 3.32Å; G867-S871 PolarHBondContact O-N 2.92Å; G868-S871 WeakPolarHBondContact O-CB 3.21Å; G868-S871 PolarHBondContact O-N 3.13Å; G868-S871 PolarHBondContact O-OG 3.27Å |
| 872 | M | 91.2 | Very high | 84.4 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.02 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.2 | 177.1 | -59.1 | -164.7 | -172.3 | 0 | 0 | 111.6 | L802 V804 K819 V837 F860 L862 T870 | L802-M872 HydrophobicContact CD2-CE 3.79Å; L802-M872 HydrophobicContact CD2-SD 3.89Å; L802-M872 HydrophobicContact CG-CE 4.03Å; V804-M872 HydrophobicContact CB-CE 4.42Å; V804-M872 HydrophobicContact CG2-CE 3.64Å; K819-M872 HydrophobicContact CB-CB 4.23Å; K819-M872 HydrophobicContact CB-CG 4.3Å; K819-M872 HydrophobicContact CB-SD 3.71Å; K819-M872 HydrophobicContact CG-CB 4.5Å; V837-M872 HydrophobicContact CG1-CE 4.41Å; V837-M872 HydrophobicContact CG1-SD 3.89Å; F860-M872 HydrophobicContact CB-CB 4.2Å; F860-M872 HydrophobicContact CD1-CB 4.2Å; L862-M872 HydrophobicContact CD2-CE 3.99Å; L862-M872 HydrophobicContact CD2-CG 3.83Å; L862-M872 HydrophobicContact CD2-SD 4.11Å; T870-M872 PolarHBondContact O-N 3.34Å |
| 873 | R | 88.6 | Confident | 83.3 | Confident | 170 Ų | 170 | 61.8 Ų | 61.8 | 64% | 0.642 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123 | 173.6 | 177.1 | 171.7 | 171 | 176.4 | 0.3 | 110.9 | F860 R861 V875 | F860-R873 CarbonylContact C-O 3.59Å; F860-R873 WeakPolarHBondContact CA-O 3.48Å; R861-R873 PolarHBondContact N-O 3.35Å; R861-R873 PolarHBondContact O-N 3.32Å; R873-V875 WeakPolarHBondContact O-CG2 3.38Å |
| 874 | R | 88.6 | Confident | 82.2 | Confident | 131 Ų | 131 | 60.8 Ų | 60.8 | 49% | 0.494 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 137.5 | 172 | -168 | 178.9 | 66.9 | 79 | 3.4 | 110.2 | F860 N877 | F860-R874 HydrophobicContact CD1-CB 3.9Å; F860-R874 HydrophobicContact CE1-CB 3.68Å; F860-R874 HydrophobicContact CE1-CG 4.14Å; F860-R874 HydrophobicContact CZ-CB 4.33Å; F860-R874 HydrophobicContact CZ-CG 4.29Å; R874-N877 WeakPolarHBondContact CD-OD1 3.09Å; R874-N877 PolarHBondContact NH1-OD1 3.32Å |
| 875 | V | 86.8 | Confident | 81.1 | Confident | 47 Ų | 47 | 62.3 Ų | 62.3 | 29% | 0.285 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | -60.2 | -176.8 | -165.4 | 0 | 0 | 0 | 0 | 110.1 | R38 Y836 V859 R861 R873 | R38-V875 HydrophobicContact CB-CG1 4.02Å; R38-V875 HydrophobicContact CG-CG1 4.24Å; Y836-V875 HydrophobicContact CD1-CG2 4.11Å; Y836-V875 HydrophobicContact CE1-CG2 4Å; V859-V875 PolarHBondContact O-N 3.32Å; R861-V875 HydrophobicContact CB-CG2 3.71Å; R873-V875 WeakPolarHBondContact O-CG2 3.38Å |
| 876 | F | 85.3 | Confident | 79.8 | Confident | 32 Ų | 32 | 64.2 Ų | 64.2 | 14% | 0.14 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 169.3 | 177.5 | 65.4 | -90.6 | 0 | 0 | 0 | 111.3 | W42 V859 V878 W897 L905 | W42-F876 HydrophobicContact CD2-CE2 4.27Å; W42-F876 HydrophobicContact CD2-CZ 4.31Å; W42-F876 AromaticContact CE2-CZ 3.8Å; W42-F876 HydrophobicContact CH2-CZ 4.12Å; W42-F876 HydrophobicContact CZ2-CE1 4.26Å; W42-F876 HydrophobicContact CZ2-CE2 4.47Å; W42-F876 AromaticContact CZ2-CZ 3.71Å; W42-F876 HydrophobicContact CZ2-CZ 3.71Å; V859-F876 HydrophobicContact CB-CD1 4.1Å; V859-F876 HydrophobicContact CB-CD2 4.36Å; V859-F876 HydrophobicContact CB-CE1 3.85Å; V859-F876 HydrophobicContact CB-CE2 4.13Å; V859-F876 HydrophobicContact CB-CG 4.34Å; V859-F876 HydrophobicContact CB-CZ 3.88Å; V859-F876 HydrophobicContact CG1-CD1 4.2Å; V859-F876 HydrophobicContact CG1-CE1 3.69Å; V859-F876 HydrophobicContact CG1-CZ 4Å; V859-F876 HydrophobicContact CG2-CD2 4.31Å; V859-F876 HydrophobicContact CG2-CE1 4.16Å; V859-F876 HydrophobicContact CG2-CE2 3.73Å; V859-F876 HydrophobicContact CG2-CZ 3.65Å; V859-F876 PolarHBondContact N-O 2.89Å; F876-V878 HydrophobicContact CE2-CG2 4.24Å; F876-W897 HydrophobicContact CZ-CH2 4.44Å; F876-L905 HydrophobicContact CE2-CD2 4.47Å |
| 877 | N | 85.8 | Confident | 78.2 | Confident | 57 Ų | 57 | 70.4 Ų | 70.4 | 31% | 0.305 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 140.6 | 177.2 | -59.7 | -7.7 | 0 | 0 | 0 | 108.2 | M855 R874 L879 | M855-N877 HydrophobicContact CG-CB 4.17Å; M855-N877 HydrophobicContact SD-CB 4.07Å; M855-N877 PolarHBondContact SD-ND2 3.33Å; M855-N877 VanDerWaalsContact SD-ND2 3.41Å; R874-N877 WeakPolarHBondContact CD-OD1 3.09Å; R874-N877 PolarHBondContact NH1-OD1 3.32Å; N877-L879 HydrophobicContact CB-CD2 4.22Å |
| 878 | V | 84.3 | Confident | 77.5 | Confident | 10 Ų | 10 | 77.3 Ų | 77.3 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 123.4 | 168.2 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | V856 A857 F876 L905 Y907 | V856-V878 HydrophobicContact CG2-CG1 4.23Å; V856-V878 WeakPolarHBondContact CG2-O 3.25Å; V856-V878 PolarHBondContact N-O 3.12Å; A857-V878 HydrophobicContact CB-CB 3.88Å; A857-V878 HydrophobicContact CB-CG2 3.95Å; A857-V878 PolarHBondContact N-O 2.78Å; A857-V878 PolarHBondContact O-N 3.08Å; F876-V878 HydrophobicContact CE2-CG2 4.24Å; V878-L905 HydrophobicContact CG2-CD1 4.33Å; V878-L905 HydrophobicContact CG2-CD2 3.93Å; V878-Y907 HydrophobicContact CG1-CD1 4.47Å; V878-Y907 HydrophobicContact CG1-CE1 3.77Å |
| 879 | L | 84.6 | Confident | 76.8 | Confident | 75 Ų | 75 | 79.6 Ų | 79.6 | 39% | 0.393 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 142.9 | 177.9 | -52.2 | -177 | 0 | 0 | 0 | 109.2 | E853 H854 M855 N877 | E853-L879 HydrophobicContact CB-CB 4.48Å; E853-L879 HydrophobicContact CB-CD1 4.26Å; E853-L879 VanDerWaalsContact OE2-CD1 3.31Å; E853-L879 WeakPolarHBondContact OE2-CD1 3.4Å; H854-L879 CarbonylContact O-C 3.57Å; H854-L879 WeakPolarHBondContact O-CA 3.32Å; M855-L879 HydrophobicContact CB-CD2 3.93Å; M855-L879 HydrophobicContact CG-CD2 4.45Å; N877-L879 HydrophobicContact CB-CD2 4.22Å |
| 880 | Y | 83.3 | Confident | 76.5 | Confident | 7 Ų | 7 | 75.6 Ų | 75.6 | 3% | 0.027 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127.6 | 175.4 | 171.2 | -82.3 | 0 | 0 | 0 | 108.7 | R46 H854 V856 M882 V890 Y907 T909 D913 | R46-Y880 PolarHBondContact NH2-OH 3.49Å; H854-Y880 PolarHBondContact N-O 3.14Å; H854-Y880 PolarHBondContact O-N 3.17Å; V856-Y880 HydrophobicContact CG1-CG 4.4Å; Y880-M882 HydrophobicContact CD1-CG 3.86Å; Y880-M882 HydrophobicContact CD1-SD 4.15Å; Y880-M882 HydrophobicContact CE1-CG 3.86Å; Y880-M882 HydrophobicContact CE1-SD 3.65Å; Y880-V890 HydrophobicContact CD1-CB 4.47Å; Y880-V890 HydrophobicContact CD1-CG1 4.04Å; Y880-V890 HydrophobicContact CD1-CG2 3.98Å; Y880-V890 HydrophobicContact CE1-CG1 4.4Å; Y880-V890 HydrophobicContact CE1-CG2 3.94Å; Y880-V890 HydrophobicContact CG-CG1 4.22Å; Y880-Y907 HydrophobicContact CD2-CE2 4.07Å; Y880-T909 HydrophobicContact CD2-CG2 4.47Å; Y880-T909 HydrophobicContact CE2-CG2 4.44Å; Y880-D913 PolarHBondContact OH-OD2 3.28Å |
| 881 | P | 78.4 | Confident | 76.4 | Confident | 90 Ų | 90 | 71.5 Ų | 71.5 | 58% | 0.584 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 130.6 | -177.1 | 30.3 | -34.1 | 0 | 0 | 0 | 112.2 | T852 | T852-P881 CarbonylContact O-C 3.53Å |
| 882 | M | 72.4 | Confident | 76.4 | Confident | 8 Ų | 8 | 71.5 Ų | 71.5 | 4% | 0.039 | 34% | 0.341 | C | S | . | . | trans | -122.5 | 122.2 | -176 | -80.9 | -72.4 | -75 | 0 | 0 | 110.5 | T852 H854 Y880 A884 Q886 R888 V890 K911 | T852-M882 WeakPolarHBondContact CA-O 3.47Å; T852-M882 WeakPolarHBondContact CB-O 3.42Å; T852-M882 PolarHBondContact O-N 3.08Å; H854-M882 HydrophobicContact CB-CG 4.27Å; Y880-M882 HydrophobicContact CD1-CG 3.86Å; Y880-M882 HydrophobicContact CD1-SD 4.15Å; Y880-M882 HydrophobicContact CE1-CG 3.86Å; Y880-M882 HydrophobicContact CE1-SD 3.65Å; M882-A884 PolarHBondContact O-N 3.38Å; M882-Q886 HydrophobicContact CE-CB 4Å; M882-Q886 WeakPolarHBondContact CE-O 3.45Å; M882-R888 WeakPolarHBondContact CE-O 3.32Å; M882-V890 HydrophobicContact CE-CG2 4.13Å; M882-V890 HydrophobicContact CG-CG2 4.3Å; M882-V890 HydrophobicContact SD-CG2 3.45Å; M882-V890 WeakPolarHBondContact SD-CG2 3.48Å; M882-K911 PolarHBondContact SD-NZ 3.39Å | ||
| 883 | P | 68.4 | Low | 76.2 | Confident | 66 Ų | 66 | 72.4 Ų | 72.4 | 43% | 0.429 | 35% | 0.345 | S | S | . | . | trans | -59.5 | 135.6 | 166.5 | -21.5 | 33.3 | 0 | 0 | 0 | 110.2 | D885 Q886 | P883-D885 PolarHBondContact O-N 2.92Å; P883-D885 VanDerWaalsContact O-N 3.1Å; P883-Q886 HydrophobicContact CB-CG 4.31Å; P883-Q886 PolarHBondContact O-N 2.83Å | ||
| 884 | A | 61.4 | Low | 76.4 | Confident | 59 Ų | 59 | 64.3 Ų | 64.3 | 49% | 0.488 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | M882 Q886 | M882-A884 PolarHBondContact O-N 3.38Å; A884-Q886 VanDerWaalsContact C-N 3.29Å; A884-Q886 PolarHBondContact O-N 3Å |
| 885 | D | 57.8 | Low | 76.6 | Confident | 153 Ų | 153 | 58.1 Ų | 58.1 | 82% | 0.818 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -21.5 | 179.1 | -50.2 | -53.8 | 0 | 0 | 0 | 113.1 | P883 R887 | P883-D885 PolarHBondContact O-N 2.92Å; P883-D885 VanDerWaalsContact O-N 3.1Å; D885-R887 PolarHBondContact O-N 2.98Å |
| 886 | Q | 59.8 | Low | 76.9 | Confident | 84 Ų | 84 | 57.3 Ų | 57.3 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | trans | -84.7 | 78 | -177.4 | -64.3 | -166.9 | 20.2 | 0 | 0 | 111.6 | M882 P883 A884 R888 | M882-Q886 HydrophobicContact CE-CB 4Å; M882-Q886 WeakPolarHBondContact CE-O 3.45Å; P883-Q886 HydrophobicContact CB-CG 4.31Å; P883-Q886 PolarHBondContact O-N 2.83Å; A884-Q886 VanDerWaalsContact C-N 3.29Å; A884-Q886 PolarHBondContact O-N 3Å; Q886-R888 PolarHBondContact O-N 3.08Å | ||
| 887 | R | 53.5 | Low | 77.2 | Confident | 246 Ų | 246 | 57 Ų | 57 | 93% | 0.928 | 28% | 0.281 | S | S | * | . | trans | -69.5 | 52.3 | 169.2 | -59.9 | -174.3 | -176.6 | -172.8 | 1.4 | 113.1 | D885 | D885-R887 PolarHBondContact O-N 2.98Š| ||
| 888 | R | 60.8 | Low | 77.3 | Confident | 168 Ų | 168 | 54.3 Ų | 54.3 | 63% | 0.634 | 27% | 0.267 | S | S | * | . | trans | -123 | 134.2 | -175.3 | -65.5 | -172.4 | 177.9 | -149.2 | -2.3 | 111 | M882 Q886 | M882-R888 WeakPolarHBondContact CE-O 3.32Å; Q886-R888 PolarHBondContact O-N 3.08Å | ||
| 889 | H | 68.6 | Low | 77.1 | Confident | 81 Ų | 81 | 54.5 Ų | 54.5 | 38% | 0.375 | 27% | 0.269 | S | S | . | . | trans | -65.2 | 133.6 | 178.1 | -55.3 | -46.6 | 0 | 0 | 0 | 111.9 | R844 N910 | R844-H889 HydrophobicContact CG-CB 4.25Å; R844-H889 PolarHBondContact NE-CD2 3.47Å; H889-N910 PolarHBondContact O-ND2 3.45Å | ||
| 890 | V | 75.6 | Confident | 76.8 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.3 | 173.4 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | S843 V856 Y880 M882 T909 N910 K911 | S843-V890 WeakPolarHBondContact CA-O 3.26Å; S843-V890 VanDerWaalsContact CB-O 3.24Å; S843-V890 WeakPolarHBondContact CB-O 3.4Å; S843-V890 PolarHBondContact N-O 3.2Å; V856-V890 HydrophobicContact CG1-CB 4.41Å; V856-V890 HydrophobicContact CG1-CG1 3.88Å; Y880-V890 HydrophobicContact CD1-CB 4.47Å; Y880-V890 HydrophobicContact CD1-CG1 4.04Å; Y880-V890 HydrophobicContact CD1-CG2 3.98Å; Y880-V890 HydrophobicContact CE1-CG1 4.4Å; Y880-V890 HydrophobicContact CE1-CG2 3.94Å; Y880-V890 HydrophobicContact CG-CG1 4.22Å; M882-V890 HydrophobicContact CE-CG2 4.13Å; M882-V890 HydrophobicContact CG-CG2 4.3Å; M882-V890 HydrophobicContact SD-CG2 3.45Å; M882-V890 WeakPolarHBondContact SD-CG2 3.48Å; V890-T909 HydrophobicContact CG1-CG2 4.39Å; V890-N910 WeakPolarHBondContact CA-OD1 3.47Å; V890-K911 HydrophobicContact CG2-CD 4.21Å |
| 891 | S | 81.8 | Confident | 76.7 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 136.6 | 174.3 | -167.1 | 0 | 0 | 0 | 0 | 109.4 | I826 A842 T909 N910 | I826-S891 WeakPolarHBondContact CD1-OG 3.31Å; A842-S891 WeakPolarHBondContact CA-OG 3.17Å; S891-T909 CarbonylContact O-C 3.39Å; S891-T909 VanDerWaalsContact O-CA 3.28Å; S891-T909 WeakPolarHBondContact O-CA 3.36Å; S891-N910 VanDerWaalsContact N-CG 3.32Å; S891-N910 PolarHBondContact N-OD1 3.15Å; S891-N910 PolarHBondContact O-N 3.39Å; S891-N910 PolarHBondContact O-OD1 2.88Å |
| 892 | I | 87.4 | Confident | 76.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 123.5 | 162.2 | -74.3 | 179.8 | 0 | 0 | 0 | 107.7 | S827 L841 V856 A857 A895 Y907 | S827-I892 WeakPolarHBondContact OG-CG2 3.4Å; L841-I892 PolarHBondContact O-N 3.09Å; V856-I892 HydrophobicContact CB-CD1 3.85Å; V856-I892 HydrophobicContact CB-CG1 4.08Å; V856-I892 HydrophobicContact CG2-CD1 3.85Å; V856-I892 HydrophobicContact CG2-CG1 4.44Å; V856-I892 WeakPolarHBondContact O-CD1 3.49Å; A857-I892 HydrophobicContact CB-CD1 4.08Å; I892-A895 HydrophobicContact CG2-CB 3.66Å; I892-Y907 HydrophobicContact CD1-CD1 4.19Å; I892-Y907 HydrophobicContact CD1-CD2 3.74Å; I892-Y907 HydrophobicContact CD1-CE2 4.29Å; I892-Y907 HydrophobicContact CD1-CG 3.68Å; I892-Y907 HydrophobicContact CG1-CD2 3.76Å; I892-Y907 HydrophobicContact CG1-CE2 4.37Å; I892-Y907 HydrophobicContact CG1-CG 4.12Å |
| 893 | N | 87.1 | Confident | 77.1 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -35.7 | 175.3 | -62.7 | -23.8 | 0 | 0 | 0 | 110.7 | S55 T56 N772 G908 N910 | S55-N893 PolarHBondContact OG-ND2 3.14Å; T56-N893 WeakPolarHBondContact O-CB 3.31Å; T56-N893 PolarHBondContact O-ND2 3.27Å; N772-N893 PolarHBondContact ND2-O 3.33Å; N893-G908 PolarHBondContact N-O 3.18Å; N893-N910 PolarHBondContact ND2-N 2.72Å |
| 894 | S | 91.8 | Very high | 77.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 134 | 174.5 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | F57 L59 A774 Y907 G908 | F57-S894 VanDerWaalsContact O-CB 3.27Å; F57-S894 WeakPolarHBondContact O-CB 3.48Å; L59-S894 PolarHBondContact N-OG 3.45Å; A774-S894 WeakPolarHBondContact CB-OG 3.49Å; S894-Y907 CarbonylContact O-C 3.56Å; S894-Y907 WeakPolarHBondContact O-CA 3.3Å; S894-G908 PolarHBondContact O-N 2.79Å |
| 895 | A | 93.1 | Very high | 79.4 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 142.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | M838 I892 A906 | M838-A895 HydrophobicContact CE-CB 3.59Å; M838-A895 HydrophobicContact SD-CB 4.12Å; I892-A895 HydrophobicContact CG2-CB 3.66Å; A895-A906 CarbonylContact C-O 3.58Å; A895-A906 VanDerWaalsContact CA-O 3.3Å; A895-A906 WeakPolarHBondContact CA-O 3.5Å |
| 896 | R | 93.4 | Very high | 81.1 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 11% | 0.113 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 149.2 | 178.7 | -62.2 | -71.6 | -166.5 | -163.6 | -7.5 | 109.3 | L59 F61 D773 D777 L905 A906 | L59-R896 HydrophobicContact CB-CG 4.36Å; F61-R896 HydrophobicContact CD2-CB 4.48Å; F61-R896 HydrophobicContact CE2-CB 3.6Å; F61-R896 HydrophobicContact CE2-CG 4.33Å; F61-R896 HydrophobicContact CZ-CB 4.34Å; D773-R896 PolarHBondContact O-NH2 2.87Å; D777-R896 IonicContact OD1-NH1 3.81Å; D777-R896 PolarHBondContact OD1-NH1 2.91Å; D777-R896 IonicContact OD2-NH1 3.79Å; R896-L905 WeakPolarHBondContact O-CA 3.42Å; R896-A906 PolarHBondContact N-O 3.29Å; R896-A906 PolarHBondContact O-N 2.86Å |
| 897 | W | 92.2 | Very high | 82.7 | Confident | 24 Ų | 24 | 39.4 Ų | 39.4 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 146.2 | 163.5 | -73.7 | 91 | 0 | 0 | 0 | 110.2 | W42 F61 S829 M838 V859 F876 | W42-W897 HydrophobicContact CH2-CZ3 4.04Å; F61-W897 WeakPolarHBondContact CE2-O 3.49Å; S829-W897 PolarHBondContact O-NE1 2.95Å; S829-W897 VanDerWaalsContact O-NE1 3.1Å; S829-W897 PolarHBondContact OG-N 3.11Å; M838-W897 HydrophobicContact CB-CZ2 4.25Å; V859-W897 HydrophobicContact CG1-CH2 3.91Å; V859-W897 HydrophobicContact CG1-CZ2 3.78Å; V859-W897 HydrophobicContact CG2-CH2 4.36Å; V859-W897 HydrophobicContact CG2-CZ2 4.15Å; F876-W897 HydrophobicContact CZ-CH2 4.44Å |
| 898 | L | 88.6 | Confident | 84.5 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | trans | -65.1 | 144.6 | 166.8 | -71.2 | -177.5 | 0 | 0 | 0 | 108.5 | F61 V82 P832 E900 L903 G904 A906 I916 | F61-L898 HydrophobicContact CE1-CD2 3.66Å; F61-L898 HydrophobicContact CZ-CD2 3.64Å; V82-L898 HydrophobicContact CG1-CD1 4.35Å; V82-L898 HydrophobicContact CG1-CD2 3.74Å; P832-L898 WeakPolarHBondContact CG-O 3.34Å; L898-E900 VanDerWaalsContact C-N 3.28Å; L898-E900 PolarHBondContact O-N 3.34Å; L898-E900 VanDerWaalsContact O-N 3.13Å; L898-L903 HydrophobicContact CB-CB 3.89Å; L898-L903 HydrophobicContact CD1-CB 3.89Å; L898-G904 WeakPolarHBondContact CB-O 3.28Å; L898-G904 PolarHBondContact N-O 2.68Å; L898-A906 HydrophobicContact CD2-CB 4.09Å; L898-I916 HydrophobicContact CD1-CG2 4Å | ||
| 899 | P | 78.5 | Confident | 85.8 | Confident | 15 Ų | 15 | 19.7 Ų | 19.7 | 10% | 0.097 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -69 | -18.5 | -162.3 | -26.4 | 37.7 | 0 | 0 | 0 | 115.9 | F61 R65 P832 | F61-P899 HydrophobicContact CB-CG 3.89Å; F61-P899 HydrophobicContact CD1-CG 3.88Å; F61-P899 HydrophobicContact CD2-CG 3.71Å; F61-P899 HydrophobicContact CE1-CG 4.36Å; F61-P899 HydrophobicContact CE2-CG 4.19Å; F61-P899 HydrophobicContact CG-CG 3.55Å; R65-P899 HydrophobicContact CB-CB 3.75Å; R65-P899 HydrophobicContact CB-CG 3.91Å; R65-P899 HydrophobicContact CG-CB 3.42Å; R65-P899 VanDerWaalsContact CG-CB 3.42Å; R65-P899 HydrophobicContact CG-CG 3.95Å; R65-P899 PolarHBondContact NH1-O 3.35Å; P832-P899 WeakPolarHBondContact CB-O 3.4Å; P832-P899 WeakPolarHBondContact CG-O 3.45Å |
| 900 | E | 79.8 | Confident | 86.6 | Confident | 104 Ų | 104 | 18.2 Ų | 18.2 | 49% | 0.486 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -99.3 | 141 | 176.7 | -57.7 | -161 | 127 | 0 | 0 | 112.5 | L898 G902 L903 | L898-E900 VanDerWaalsContact C-N 3.28Å; L898-E900 PolarHBondContact O-N 3.34Å; L898-E900 VanDerWaalsContact O-N 3.13Å; E900-G902 PolarHBondContact O-N 2.96Å; E900-L903 HydrophobicContact CB-CD1 3.71Å; E900-L903 HydrophobicContact CB-CG 3.91Å; E900-L903 HydrophobicContact CG-CD1 3.88Å; E900-L903 PolarHBondContact O-N 3.01Å |
| 901 | P | 81.1 | Confident | 87.1 | Confident | 22 Ų | 22 | 20.1 Ų | 20.1 | 14% | 0.143 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 103.4 | 175.5 | -26 | 33.8 | 0 | 0 | 0 | 112.7 | Q30 V33 E34 P832 M833 | Q30-P901 HydrophobicContact CB-CB 4.11Å; Q30-P901 HydrophobicContact CB-CG 3.92Å; Q30-P901 HydrophobicContact CG-CB 4.45Å; Q30-P901 HydrophobicContact CG-CG 4.05Å; V33-P901 WeakPolarHBondContact CG1-O 3.34Å; E34-P901 HydrophobicContact CB-CB 4.32Å; P832-P901 HydrophobicContact CB-CG 4.07Å; M833-P901 HydrophobicContact CE-CG 3.84Å; M833-P901 HydrophobicContact CG-CB 4.26Å; M833-P901 HydrophobicContact CG-CG 3.96Å; M833-P901 HydrophobicContact SD-CG 4.02Å |
| 902 | G | 76.8 | Confident | 87.3 | Confident | 17 Ų | 17 | 19.7 Ų | 19.7 | 18% | 0.175 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | -4.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | E900 G904 P919 | E900-G902 PolarHBondContact O-N 2.96Å; G902-G904 VanDerWaalsContact C-N 3.3Å; G902-G904 PolarHBondContact O-N 3.42Å; G902-P919 VanDerWaalsContact O-CG 3.24Å; G902-P919 WeakPolarHBondContact O-CG 3.44Å |
| 903 | L | 80.8 | Confident | 87.4 | Confident | 76 Ų | 76 | 20.7 Ų | 20.7 | 40% | 0.398 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -35.1 | 172.8 | -77.2 | -179 | 0 | 0 | 0 | 112.4 | L898 E900 P919 | L898-L903 HydrophobicContact CB-CB 3.89Å; L898-L903 HydrophobicContact CD1-CB 3.89Å; E900-L903 HydrophobicContact CB-CD1 3.71Å; E900-L903 HydrophobicContact CB-CG 3.91Å; E900-L903 HydrophobicContact CG-CD1 3.88Å; E900-L903 PolarHBondContact O-N 3.01Å; L903-P919 VanDerWaalsContact O-CD 3.26Å; L903-P919 WeakPolarHBondContact O-CD 3.48Å |
| 904 | G | 86.9 | Confident | 87.7 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | trans | 138.1 | -141.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | W42 L898 G902 C917 | W42-G904 VanDerWaalsContact CZ3-CA 3.44Å; L898-G904 WeakPolarHBondContact CB-O 3.28Å; L898-G904 PolarHBondContact N-O 2.68Å; G902-G904 VanDerWaalsContact C-N 3.3Å; G902-G904 PolarHBondContact O-N 3.42Å; G904-C917 CarbonylContact C-O 3.53Å; G904-C917 VanDerWaalsContact CA-O 3.28Å; G904-C917 WeakPolarHBondContact CA-O 3.36Å | ||
| 905 | L | 91.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 155.1 | 179.1 | 61.8 | 90.8 | 0 | 0 | 0 | 111.1 | W42 M838 F876 V878 R896 Y907 C917 | W42-L905 HydrophobicContact CE3-CD2 4.17Å; W42-L905 HydrophobicContact CE3-CG 4.4Å; W42-L905 HydrophobicContact CH2-CD2 4.31Å; W42-L905 HydrophobicContact CZ3-CD2 3.66Å; W42-L905 HydrophobicContact CZ3-CG 3.86Å; M838-L905 HydrophobicContact CE-CB 4.26Å; M838-L905 HydrophobicContact SD-CB 4.2Å; M838-L905 HydrophobicContact SD-CD1 4.05Å; M838-L905 HydrophobicContact SD-CD2 3.88Å; M838-L905 HydrophobicContact SD-CG 4.27Å; F876-L905 HydrophobicContact CE2-CD2 4.47Å; V878-L905 HydrophobicContact CG2-CD1 4.33Å; V878-L905 HydrophobicContact CG2-CD2 3.93Å; R896-L905 WeakPolarHBondContact O-CA 3.42Å; L905-Y907 HydrophobicContact CD1-CD1 3.88Å; L905-Y907 HydrophobicContact CD1-CE1 4.38Å; L905-C917 HydrophobicContact CD1-CB 3.77Å; L905-C917 HydrophobicContact CG-CB 3.95Å; L905-C917 PolarHBondContact N-O 2.91Å; L905-C917 PolarHBondContact O-N 3.12Å; L905-C917 VanDerWaalsContact O-O 3.12Å |
| 906 | A | 93.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L59 F61 L68 A895 R896 L898 V915 I916 | L59-A906 HydrophobicContact CD1-CB 4.36Å; F61-A906 HydrophobicContact CZ-CB 4.23Å; L68-A906 HydrophobicContact CD2-CB 3.92Å; A895-A906 CarbonylContact C-O 3.58Å; A895-A906 VanDerWaalsContact CA-O 3.3Å; A895-A906 WeakPolarHBondContact CA-O 3.5Å; R896-A906 PolarHBondContact N-O 3.29Å; R896-A906 PolarHBondContact O-N 2.86Å; L898-A906 HydrophobicContact CD2-CB 4.09Å; A906-V915 CarbonylContact C-O 3.5Å; A906-V915 WeakPolarHBondContact CA-O 3.41Å; A906-I916 HydrophobicContact CB-CG1 4.25Å |
| 907 | Y | 93.6 | Very high | 87.4 | Confident | 3 Ų | 3 | 19 Ų | 19 | 1% | 0.012 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 145.9 | 178.1 | 65.5 | -98.1 | 0 | 0 | 0 | 114.2 | V878 Y880 I892 S894 L905 T909 V915 | V878-Y907 HydrophobicContact CG1-CD1 4.47Å; V878-Y907 HydrophobicContact CG1-CE1 3.77Å; Y880-Y907 HydrophobicContact CD2-CE2 4.07Å; I892-Y907 HydrophobicContact CD1-CD1 4.19Å; I892-Y907 HydrophobicContact CD1-CD2 3.74Å; I892-Y907 HydrophobicContact CD1-CE2 4.29Å; I892-Y907 HydrophobicContact CD1-CG 3.68Å; I892-Y907 HydrophobicContact CG1-CD2 3.76Å; I892-Y907 HydrophobicContact CG1-CE2 4.37Å; I892-Y907 HydrophobicContact CG1-CG 4.12Å; S894-Y907 CarbonylContact O-C 3.56Å; S894-Y907 WeakPolarHBondContact O-CA 3.3Å; L905-Y907 HydrophobicContact CD1-CD1 3.88Å; L905-Y907 HydrophobicContact CD1-CE1 4.38Å; Y907-T909 HydrophobicContact CD2-CG2 3.79Å; Y907-T909 HydrophobicContact CE2-CG2 3.76Å; Y907-V915 HydrophobicContact CD1-CB 4.38Å; Y907-V915 HydrophobicContact CD2-CB 4.21Å; Y907-V915 HydrophobicContact CD2-CG2 4.47Å; Y907-V915 HydrophobicContact CE1-CB 3.97Å; Y907-V915 HydrophobicContact CE1-CG1 3.98Å; Y907-V915 HydrophobicContact CE2-CB 3.79Å; Y907-V915 HydrophobicContact CE2-CG1 4.45Å; Y907-V915 HydrophobicContact CE2-CG2 3.81Å; Y907-V915 PolarHBondContact N-O 3.49Å; Y907-V915 PolarHBondContact O-N 3.27Å |
| 908 | G | 91.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 136 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N893 S894 | N893-G908 PolarHBondContact N-O 3.18Å; S894-G908 PolarHBondContact O-N 2.79Å |
| 909 | T | 89 | Confident | 87 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 159.7 | -173.5 | 67 | 0 | 0 | 0 | 0 | 114 | T56 Y880 V890 S891 Y907 K911 G912 D913 | T56-T909 PolarHBondContact N-O 3.47Å; Y880-T909 HydrophobicContact CD2-CG2 4.47Å; Y880-T909 HydrophobicContact CE2-CG2 4.44Å; V890-T909 HydrophobicContact CG1-CG2 4.39Å; S891-T909 CarbonylContact O-C 3.39Å; S891-T909 VanDerWaalsContact O-CA 3.28Å; S891-T909 WeakPolarHBondContact O-CA 3.36Å; Y907-T909 HydrophobicContact CD2-CG2 3.79Å; Y907-T909 HydrophobicContact CE2-CG2 3.76Å; T909-K911 PolarHBondContact O-N 3.04Å; T909-K911 PolarHBondContact OG1-N 2.94Å; T909-G912 PolarHBondContact O-N 3.4Å; T909-G912 VanDerWaalsContact O-N 3.09Å; T909-D913 HydrophobicContact CG2-CB 4.44Å; T909-D913 PolarHBondContact N-O 3.12Å; T909-D913 WeakPolarHBondContact OG1-CB 3.4Å; T909-D913 PolarHBondContact OG1-N 2.7Å; T909-D913 VanDerWaalsContact OG1-N 3.11Å; T909-D913 PolarHBondContact OG1-O 2.84Å; T909-D913 VanDerWaalsContact OG1-O 3.06Å |
| 910 | N | 85.3 | Confident | 86.7 | Confident | 51 Ų | 51 | 25.3 Ų | 25.3 | 27% | 0.273 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 5.3 | 167 | 77.2 | -35.8 | 0 | 0 | 0 | 115.4 | H889 V890 S891 N893 | H889-N910 PolarHBondContact O-ND2 3.45Å; V890-N910 WeakPolarHBondContact CA-OD1 3.47Å; S891-N910 VanDerWaalsContact N-CG 3.32Å; S891-N910 PolarHBondContact N-OD1 3.15Å; S891-N910 PolarHBondContact O-N 3.39Å; S891-N910 PolarHBondContact O-OD1 2.88Å; N893-N910 PolarHBondContact ND2-N 2.72Å |
| 911 | K | 84.9 | Confident | 85.6 | Confident | 41 Ų | 41 | 22.8 Ų | 22.8 | 18% | 0.178 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -10.7 | 172.1 | -73.5 | -171.3 | 171 | -176.3 | 0 | 113.8 | R54 M882 V890 T909 | R54-K911 CarbonylContact C-O 3.59Å; R54-K911 CarbonylContact O-C 3.57Å; R54-K911 WeakPolarHBondContact O-CA 3.42Å; M882-K911 PolarHBondContact SD-NZ 3.39Å; V890-K911 HydrophobicContact CG2-CD 4.21Å; T909-K911 PolarHBondContact O-N 3.04Å; T909-K911 PolarHBondContact OG1-N 2.94Å |
| 912 | G | 85.8 | Confident | 83.7 | Confident | 3 Ų | 3 | 30 Ų | 30 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 94.9 | -5.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.6 | P53 R54 S55 T56 T909 L914 | P53-G912 WeakPolarHBondContact O-CA 3.45Å; R54-G912 PolarHBondContact O-N 2.93Å; S55-G912 VanDerWaalsContact CA-N 3.35Å; T56-G912 WeakPolarHBondContact OG1-CA 3.15Å; T56-G912 PolarHBondContact OG1-O 2.86Å; T909-G912 PolarHBondContact O-N 3.4Å; T909-G912 VanDerWaalsContact O-N 3.09Å; G912-L914 PolarHBondContact O-N 3.16Å |
| 913 | D | 90 | Very high | 81.7 | Confident | 22 Ų | 22 | 36.7 Ų | 36.7 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | trans | -72.6 | 120.2 | 178.1 | -53 | -35.4 | 0 | 0 | 0 | 109.3 | R46 Y880 T909 V915 | R46-D913 IonicContact CZ-OD1 3.43Å; R46-D913 IonicContact CZ-OD2 3.69Å; R46-D913 IonicContact NH1-OD1 2.95Å; R46-D913 PolarHBondContact NH1-OD1 2.87Å; R46-D913 IonicContact NH1-OD2 2.73Å; R46-D913 PolarHBondContact NH1-OD2 3.17Å; R46-D913 IonicContact NH2-OD1 2.86Å; R46-D913 PolarHBondContact NH2-OD1 3.5Å; R46-D913 IonicContact NH2-OD2 1.82Å; R46-D913 PolarHBondContact NH2-OD2 2.94Å; Y880-D913 PolarHBondContact OH-OD2 3.28Å; T909-D913 HydrophobicContact CG2-CB 4.44Å; T909-D913 PolarHBondContact N-O 3.12Å; T909-D913 WeakPolarHBondContact OG1-CB 3.4Å; T909-D913 PolarHBondContact OG1-N 2.7Å; T909-D913 VanDerWaalsContact OG1-N 3.11Å; T909-D913 PolarHBondContact OG1-O 2.84Å; T909-D913 VanDerWaalsContact OG1-O 3.06Å; D913-V915 HydrophobicContact CB-CG2 4.39Å | ||
| 914 | L | 93.2 | Very high | 79.2 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126.1 | 160.7 | 175.9 | 57.4 | 0 | 0 | 0 | 107.9 | V47 L49 L59 L68 G912 | V47-L914 HydrophobicContact CB-CB 4.13Å; V47-L914 HydrophobicContact CB-CD2 4.08Å; V47-L914 HydrophobicContact CB-CG 3.99Å; V47-L914 HydrophobicContact CG1-CD2 4.09Å; V47-L914 HydrophobicContact CG2-CD2 4.03Å; V47-L914 HydrophobicContact CG2-CG 3.86Å; V47-L914 PolarHBondContact N-O 3.12Å; L49-L914 HydrophobicContact CD1-CB 4.32Å; L49-L914 HydrophobicContact CD2-CD2 4.44Å; L59-L914 HydrophobicContact CD1-CD1 4.03Å; L59-L914 HydrophobicContact CD2-CD1 3.68Å; L68-L914 HydrophobicContact CD2-CD1 4.26Å; L68-L914 HydrophobicContact CD2-CD2 4.44Å; G912-L914 PolarHBondContact O-N 3.16Å |
| 915 | V | 92.2 | Very high | 76.6 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.2 | -178.5 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | K45 A906 Y907 D913 | K45-V915 WeakPolarHBondContact O-CA 3.46Å; A906-V915 CarbonylContact C-O 3.5Å; A906-V915 WeakPolarHBondContact CA-O 3.41Å; Y907-V915 HydrophobicContact CD1-CB 4.38Å; Y907-V915 HydrophobicContact CD2-CB 4.21Å; Y907-V915 HydrophobicContact CD2-CG2 4.47Å; Y907-V915 HydrophobicContact CE1-CB 3.97Å; Y907-V915 HydrophobicContact CE1-CG1 3.98Å; Y907-V915 HydrophobicContact CE2-CB 3.79Å; Y907-V915 HydrophobicContact CE2-CG1 4.45Å; Y907-V915 HydrophobicContact CE2-CG2 3.81Å; Y907-V915 PolarHBondContact N-O 3.49Å; Y907-V915 PolarHBondContact O-N 3.27Å; D913-V915 HydrophobicContact CB-CG2 4.39Å |
| 916 | I | 91.8 | Very high | 73.9 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 115 | 171.1 | -60.4 | 175.8 | 0 | 0 | 0 | 107.2 | K45 V47 L68 T80 L898 A906 R918 | K45-I916 PolarHBondContact N-O 3.35Å; K45-I916 PolarHBondContact O-N 3.14Å; V47-I916 HydrophobicContact CG2-CD1 3.69Å; V47-I916 HydrophobicContact CG2-CG1 3.85Å; L68-I916 HydrophobicContact CD2-CD1 4.41Å; L68-I916 HydrophobicContact CD2-CG1 4.49Å; T80-I916 HydrophobicContact CG2-CD1 4.42Å; L898-I916 HydrophobicContact CD1-CG2 4Å; A906-I916 HydrophobicContact CB-CG1 4.25Å; I916-R918 HydrophobicContact CG2-CG 4.21Å |
| 917 | C | 89.3 | Confident | 71 | Confident | 7 Ų | 7 | 55 Ų | 55 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 126.5 | 176.3 | -72.3 | 0 | 0 | 0 | 0 | 110.6 | W42 E43 G44 G904 L905 | W42-C917 HydrophobicContact CE3-CB 4.16Å; E43-C917 CarbonylContact O-C 3.58Å; E43-C917 VanDerWaalsContact O-CA 3.24Å; E43-C917 WeakPolarHBondContact O-CA 3.43Å; G44-C917 WeakPolarHBondContact CA-SG 3.28Å; G904-C917 CarbonylContact C-O 3.53Å; G904-C917 VanDerWaalsContact CA-O 3.28Å; G904-C917 WeakPolarHBondContact CA-O 3.36Å; L905-C917 HydrophobicContact CD1-CB 3.77Å; L905-C917 HydrophobicContact CG-CB 3.95Å; L905-C917 PolarHBondContact N-O 2.91Å; L905-C917 PolarHBondContact O-N 3.12Å; L905-C917 VanDerWaalsContact O-O 3.12Å |
| 918 | R | 87.4 | Confident | 68.1 | Low | 88 Ų | 88 | 64.3 Ų | 64.3 | 33% | 0.332 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 153.1 | 178.1 | -58.7 | -174.3 | -170.3 | 152.8 | 7.3 | 110.4 | W42 E43 V82 K83 I916 | W42-R918 WeakPolarHBondContact CA-O 3.24Å; E43-R918 PolarHBondContact N-O 3.23Å; E43-R918 PolarHBondContact O-N 3.38Å; V82-R918 PolarHBondContact O-NH2 3.21Å; K83-R918 PolarHBondContact O-NH1 2.72Å; K83-R918 PolarHBondContact O-NH2 2.97Å; I916-R918 HydrophobicContact CG2-CG 4.21Å |
| 919 | P | 83.1 | Confident | 65.1 | Low | 27 Ų | 27 | 70.7 Ų | 70.7 | 18% | 0.175 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 130.9 | 167 | 30.1 | -31.8 | 0 | 0 | 0 | 110 | T37 M40 K41 G902 L903 A921 | T37-P919 HydrophobicContact CG2-CG 4.1Å; M40-P919 HydrophobicContact CB-CB 3.7Å; M40-P919 HydrophobicContact CG-CB 4.3Å; M40-P919 HydrophobicContact SD-CB 3.7Å; M40-P919 HydrophobicContact SD-CG 4.3Å; K41-P919 CarbonylContact O-C 3.54Å; K41-P919 WeakPolarHBondContact O-CA 3.37Å; G902-P919 VanDerWaalsContact O-CG 3.24Å; G902-P919 WeakPolarHBondContact O-CG 3.44Å; L903-P919 VanDerWaalsContact O-CD 3.26Å; L903-P919 WeakPolarHBondContact O-CD 3.48Å; P919-A921 PolarHBondContact O-N 2.93Å |
| 920 | E | 74.2 | Confident | 62.5 | Low | 57 Ų | 57 | 79.2 Ų | 79.2 | 27% | 0.266 | 41% | 0.411 | S | S | . | . | trans | -73.6 | 115.8 | 175.9 | -178.4 | 177.7 | 163.3 | 0 | 0 | 109.4 | K41 | K41-E920 HydrophobicContact CB-CB 4.26Å; K41-E920 WeakPolarHBondContact CB-OE2 3.39Å; K41-E920 WeakPolarHBondContact CD-OE2 3.38Å; K41-E920 WeakPolarHBondContact CE-OE2 3.46Å; K41-E920 WeakPolarHBondContact CG-OE2 2.98Å; K41-E920 IonicContact NZ-OE1 3.42Å; K41-E920 PolarHBondContact NZ-OE1 3.44Å; K41-E920 IonicContact NZ-OE2 2.74Å; K41-E920 PolarHBondContact NZ-OE2 3.48Å; K41-E920 WeakPolarHBondContact O-CB 3.29Å; K41-E920 PolarHBondContact O-N 3.48Å | ||
| 921 | A | 56 | Low | 60.1 | Low | 51 Ų | 51 | 81.5 Ų | 81.5 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | trans | -68.3 | 133.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109 | P919 N923 W930 | P919-A921 PolarHBondContact O-N 2.93Å; A921-N923 PolarHBondContact O-N 3.48Å; A921-N923 VanDerWaalsContact O-N 3.12Å; A921-W930 HydrophobicContact CB-CZ2 4.37Å | ||
| 922 | L | 40.3 | Very low | 57.4 | Low | 172 Ų | 172 | 85.5 Ų | 85.5 | 90% | 0.901 | 44% | 0.443 | S | S | * | . | trans | -57.5 | 119 | 175.4 | -80.5 | 159.6 | 0 | 0 | 0 | 109.6 | S924 | L922-S924 PolarHBondContact O-N 2.84Å; L922-S924 VanDerWaalsContact O-N 3.11Å | ||
| 923 | N | 34.9 | Very low | 54.9 | Low | 159 Ų | 159 | 89.6 Ų | 89.6 | 85% | 0.85 | 46% | 0.463 | S | S | * | . | trans | -51.9 | 114.1 | -169.4 | -81.2 | -24.7 | 0 | 0 | 0 | 113.5 | A921 | A921-N923 PolarHBondContact O-N 3.48Å; A921-N923 VanDerWaalsContact O-N 3.12Å | ||
| 924 | S | 29.3 | Very low | 52.4 | Low | 96 Ų | 96 | 92.9 Ų | 92.9 | 67% | 0.671 | 48% | 0.481 | S | S | * | . | trans | -121 | 128.7 | 146.3 | 59.1 | 0 | 0 | 0 | 0 | 106.4 | L922 V926 | L922-S924 PolarHBondContact O-N 2.84Å; L922-S924 VanDerWaalsContact O-N 3.11Å; S924-V926 VanDerWaalsContact C-N 3.28Å; S924-V926 PolarHBondContact O-N 2.92Å | ||
| 925 | G | 31.1 | Very low | 49.4 | Very low | 90 Ų | 90 | 99.7 Ų | 99.7 | 93% | 0.928 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -72.9 | 74.1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 926 | V | 35 | Very low | 46.4 | Very low | 76 Ų | 76 | 104.2 Ų | 104.2 | 46% | 0.461 | 54% | 0.541 | S | S | . | . | trans | -138.8 | 76.5 | 178.8 | -164.1 | 0 | 0 | 0 | 0 | 109.7 | S924 Y928 Y929 | S924-V926 VanDerWaalsContact C-N 3.28Å; S924-V926 PolarHBondContact O-N 2.92Å; V926-Y928 PolarHBondContact O-N 2.92Å; V926-Y929 HydrophobicContact CG1-CD2 4.12Å; V926-Y929 HydrophobicContact CG1-CG 4.41Å; V926-Y929 PolarHBondContact O-N 3.35Å | ||
| 927 | E | 33.8 | Very low | 43.8 | Very low | 199 Ų | 199 | 106.9 Ų | 106.9 | 93% | 0.93 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 16.6 | 175.1 | -69.3 | -171.1 | 111.6 | 0 | 0 | 114.2 | ||
| 928 | Y | 31.9 | Very low | 41 | Very low | 200 Ų | 200 | 113 Ų | 113 | 78% | 0.784 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | 4.6 | -176.6 | -94.5 | -87 | 0 | 0 | 0 | 114.4 | V926 | V926-Y928 PolarHBondContact O-N 2.92Š|
| 929 | Y | 29.7 | Very low | 38.2 | Very low | 133 Ų | 133 | 113.8 Ų | 113.8 | 52% | 0.522 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -99.3 | -10.7 | -172.5 | -137.9 | -97.8 | 0 | 0 | 0 | 116 | V926 L933 | V926-Y929 HydrophobicContact CG1-CD2 4.12Å; V926-Y929 HydrophobicContact CG1-CG 4.41Å; V926-Y929 PolarHBondContact O-N 3.35Å; Y929-L933 HydrophobicContact CD1-CD1 3.75Å; Y929-L933 HydrophobicContact CD1-CG 4.13Å; Y929-L933 HydrophobicContact CE1-CD1 3.78Å; Y929-L933 HydrophobicContact CE1-CD2 4.5Å; Y929-L933 HydrophobicContact CE1-CG 3.96Å |
| 930 | W | 33.9 | Very low | 35.6 | Very low | 179 Ų | 179 | 119.2 Ų | 119.2 | 68% | 0.678 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -81.1 | -25.5 | -177.4 | -78.6 | 112.9 | 0 | 0 | 0 | 114.3 | A921 N934 | A921-W930 HydrophobicContact CB-CZ2 4.37Å; W930-N934 PolarHBondContact O-ND2 3.35Å |
| 931 | D | 35.1 | Very low | 33.3 | Very low | 100 Ų | 100 | 125 Ų | 125 | 54% | 0.535 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -77.5 | -46.4 | 178 | -60.7 | -53.8 | 0 | 0 | 0 | 111.1 | L933 N934 E935 | D931-L933 VanDerWaalsContact C-N 3.27Å; D931-L933 PolarHBondContact O-N 2.93Å; D931-N934 PolarHBondContact O-N 3.1Å; D931-E935 PolarHBondContact O-N 3.46Å |
| 932 | Q | 27.4 | Very low | 31.9 | Very low | 125 Ų | 125 | 128 Ų | 128 | 58% | 0.584 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.6 | -23 | -173.8 | -157.9 | 169.1 | 50 | 0 | 0 | 114.3 | T936 | Q932-T936 WeakPolarHBondContact O-CG2 3.49Å; Q932-T936 PolarHBondContact O-OG1 2.8Å |
| 933 | L | 34.3 | Very low | 31.1 | Very low | 88 Ų | 88 | 127.8 Ų | 127.8 | 46% | 0.461 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -86.6 | -16 | 174.4 | -80.1 | 177.1 | 0 | 0 | 0 | 114.5 | Y929 D931 V937 | Y929-L933 HydrophobicContact CD1-CD1 3.75Å; Y929-L933 HydrophobicContact CD1-CG 4.13Å; Y929-L933 HydrophobicContact CE1-CD1 3.78Å; Y929-L933 HydrophobicContact CE1-CD2 4.5Å; Y929-L933 HydrophobicContact CE1-CG 3.96Å; D931-L933 VanDerWaalsContact C-N 3.27Å; D931-L933 PolarHBondContact O-N 2.93Å; L933-V937 VanDerWaalsContact O-CG2 3.24Å; L933-V937 WeakPolarHBondContact O-CG2 3.3Å |
| 934 | N | 37.1 | Very low | 30.6 | Very low | 91 Ų | 91 | 124.7 Ų | 124.7 | 49% | 0.487 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -89.3 | -39.9 | 178.8 | -80.9 | -47.3 | 0 | 0 | 0 | 111.9 | W930 D931 T936 | W930-N934 PolarHBondContact O-ND2 3.35Å; D931-N934 PolarHBondContact O-N 3.1Å; N934-T936 VanDerWaalsContact C-N 3.35Å; N934-T936 PolarHBondContact O-N 2.84Å |
| 935 | E | 29.7 | Very low | 30.5 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 67% | 0.673 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -65.2 | -37.6 | 176.1 | -63.7 | -165.7 | 137.8 | 0 | 0 | 112.4 | D931 V937 T939 | D931-E935 PolarHBondContact O-N 3.46Å; E935-V937 PolarHBondContact O-N 2.8Å; E935-T939 PolarHBondContact O-OG1 3.28Å; E935-T939 VanDerWaalsContact O-OG1 3.12Å |
| 936 | T | 30.2 | Very low | 30.2 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 62% | 0.62 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -75.1 | -2.4 | -174.9 | 48.9 | 0 | 0 | 0 | 0 | 115 | Q932 N934 | Q932-T936 WeakPolarHBondContact O-CG2 3.49Å; Q932-T936 PolarHBondContact O-OG1 2.8Å; N934-T936 VanDerWaalsContact C-N 3.35Å; N934-T936 PolarHBondContact O-N 2.84Å |
| 937 | V | 36.7 | Very low | 29.7 | Very low | 61 Ų | 61 | 133.3 Ų | 133.3 | 37% | 0.37 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -116.1 | -15.7 | -171.7 | 178.1 | 0 | 0 | 0 | 0 | 113.9 | L933 E935 | L933-V937 VanDerWaalsContact O-CG2 3.24Å; L933-V937 WeakPolarHBondContact O-CG2 3.3Å; E935-V937 PolarHBondContact O-N 2.8Å |
| 938 | F | 30.9 | Very low | 29.3 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 60% | 0.596 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -133.4 | -6 | -173.7 | -75.9 | -69.8 | 0 | 0 | 0 | 117.4 | ||
| 939 | T | 27.8 | Very low | 29 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 64% | 0.638 | 68% | 0.678 | S | S | * | * | trans | -121.7 | 102.2 | 176.7 | 22.3 | 0 | 0 | 0 | 0 | 112.7 | E935 | E935-T939 PolarHBondContact O-OG1 3.28Å; E935-T939 VanDerWaalsContact O-OG1 3.12Å | ||
| 940 | V | 27.9 | Very low | 29.3 | Very low | 141 Ų | 141 | 134 Ų | 134 | 86% | 0.855 | 70% | 0.695 | S | S | * | * | trans | -130.6 | 100.2 | 160.8 | -179.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 941 | H | 26 | Very low | 28.8 | Very low | 179 Ų | 179 | 128.6 Ų | 128.6 | 83% | 0.829 | 70% | 0.695 | S | S | * | * | trans | -83 | 145.3 | 164 | -84.5 | 24.7 | 0 | 0 | 0 | 109.9 | ||||
| 942 | S | 26.5 | Very low | 28.4 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 71% | 0.71 | S | S | * | * | trans | -82.5 | 123 | -179.9 | 49.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 943 | N | 23.9 | Very low | 28.3 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 90% | 0.898 | 72% | 0.722 | S | S | * | * | trans | -149 | 165.9 | 148.8 | -121.5 | -28.6 | 0 | 0 | 0 | 111 | ||||
| 944 | S | 25.3 | Very low | 27.9 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | trans | -134.8 | 160.1 | -161 | 73 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 945 | R | 26.7 | Very low | 27.3 | Very low | 238 Ų | 238 | 138.3 Ų | 138.3 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | trans | 73.2 | 150.1 | 179.5 | -56.2 | 176.3 | 174.2 | 179.1 | -2.4 | 114.2 | ||||
| 946 | S | 23.8 | Very low | 27.1 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -168.2 | 158.7 | -15.8 | 43.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 947 | S | 25.8 | Very low | 26.9 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | 65.6 | 154.7 | -179.4 | -88.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 948 | E | 24.8 | Very low | 26.3 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | cis | -148.9 | 175.7 | 1.7 | -137.4 | 139.9 | -107.9 | 0 | 0 | 112.6 | ||||
| 949 | R | 25.6 | Very low | 26.3 | Very low | 237 Ų | 237 | 150.1 Ų | 150.1 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | trans | -127 | 148.2 | 165.8 | -84.3 | -177.1 | 175.1 | 178.3 | -0.2 | 107 | ||||
| 950 | P | 35.3 | Very low | 26.1 | Very low | 135 Ų | 135 | 152.1 Ų | 152.1 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | cis | -141.5 | -165.4 | 49.1 | 40.6 | -19.9 | 0 | 0 | 0 | 112.9 | ||||
| 951 | G | 25.1 | Very low | 26.3 | Very low | 65 Ų | 65 | 156 Ų | 156 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | cis | 178.3 | 159 | -4.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 952 | T | 26.1 | Very low | 26.7 | Very low | 139 Ų | 139 | 154.5 Ų | 154.5 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | 29.5 | 109.9 | 150.3 | 55.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 953 | S | 25.4 | Very low | 26.8 | Very low | 120 Ų | 120 | 158.6 Ų | 158.6 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | -176.9 | 123.3 | 124.7 | -79.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 954 | R | 25.3 | Very low | 27.1 | Very low | 248 Ų | 248 | 154.2 Ų | 154.2 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | cis | 86.7 | 85.3 | 44.1 | -161.7 | -171.8 | -158.5 | -175.8 | 7.3 | 113.6 | ||||
| 955 | A | 25.4 | Very low | 27.6 | Very low | 102 Ų | 102 | 157.5 Ų | 157.5 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -151.9 | 155.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 956 | T | 25.7 | Very low | 27.6 | Very low | 113 Ų | 113 | 154 Ų | 154 | 69% | 0.693 | 82% | 0.816 | S | S | * | * | trans | -63.8 | 163.8 | 177.7 | 36.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 957 | W | 25.1 | Very low | 27.9 | Very low | 243 Ų | 243 | 156.9 Ų | 156.9 | 92% | 0.92 | 82% | 0.823 | S | S | * | * | cis | -143 | 170.3 | 47.1 | -75.4 | 82.1 | 0 | 0 | 0 | 115.8 | ||||
| 958 | R | 24.7 | Very low | 28 | Very low | 221 Ų | 221 | 156.3 Ų | 156.3 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -132.1 | 144.2 | -177.5 | -95.7 | -167.5 | 174.8 | -140.4 | 2.2 | 111.7 | ||||
| 959 | T | 29.4 | Very low | 28.3 | Very low | 112 Ų | 112 | 156 Ų | 156 | 69% | 0.687 | 83% | 0.827 | S | S | * | * | trans | 37.1 | 125.9 | 144 | 61.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 960 | D | 25.3 | Very low | 28.4 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | -158 | 178.6 | 106.4 | -100.4 | -24 | 0 | 0 | 0 | 109.7 | |||||
| 961 | R | 30.7 | Very low | 28 | Very low | 221 Ų | 221 | 149.9 Ų | 149.9 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | -178.4 | 157.1 | -57.7 | -171 | 170 | -169.3 | -172.9 | 1.6 | 108.1 | |||||
| 962 | D | 34.6 | Very low | 28.2 | Very low | 149 Ų | 149 | 155.2 Ų | 155.2 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -74.4 | 137.2 | -168.2 | -44.5 | -96.8 | 0 | 0 | 0 | 116 | ||||
| 963 | M | 29.9 | Very low | 28.7 | Very low | 200 Ų | 200 | 153.5 Ų | 153.5 | 99% | 0.985 | 82% | 0.818 | S | S | * | * | trans | -172.5 | 152.5 | 150.6 | -107.9 | 178.8 | -103.4 | 0 | 0 | 108.2 | ||||
| 964 | G | 30.3 | Very low | 28.7 | Very low | 75 Ų | 75 | 158.7 Ų | 158.7 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | cis | -167.4 | 174.3 | -2.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 965 | L | 34.5 | Very low | 29 | Very low | 163 Ų | 163 | 154.2 Ų | 154.2 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -96.8 | 162.2 | -169.9 | -84.4 | 168.9 | 0 | 0 | 0 | 115.3 | ||||
| 966 | M | 27.3 | Very low | 29.2 | Very low | 163 Ų | 163 | 155.4 Ų | 155.4 | 80% | 0.803 | 81% | 0.813 | S | S | * | * | trans | 67.4 | 125.3 | 158.2 | -99.1 | 65.6 | 159.9 | 0 | 0 | 119.8 | ||||
| 967 | N | 29.6 | Very low | 29.2 | Very low | 165 Ų | 165 | 154.1 Ų | 154.1 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | -154.9 | 146.9 | 122 | -124.7 | -30.8 | 0 | 0 | 0 | 111 | |||||
| 968 | A | 28.6 | Very low | 29.3 | Very low | 91 Ų | 91 | 148.3 Ų | 148.3 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -151.6 | 97.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 969 | I | 31.5 | Very low | 29.4 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 86% | 0.862 | 81% | 0.805 | S | S | * | * | trans | -146.1 | 135.8 | 162.1 | -50 | 177.2 | 0 | 0 | 0 | 105.3 | ||||
| 970 | G | 25.9 | Very low | 29.3 | Very low | 66 Ų | 66 | 143.8 Ų | 143.8 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | cis | 133.1 | 66 | 3.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 971 | L | 28.2 | Very low | 29.5 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -154.6 | 136 | 172.1 | -104.4 | 169.9 | 0 | 0 | 0 | 111.6 | ||||
| 972 | Q | 28.8 | Very low | 29.4 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -99.8 | 164.8 | 164.6 | -109.5 | -174.2 | 18.1 | 0 | 0 | 108.1 | ||||
| 973 | P | 35.9 | Very low | 29.1 | Very low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | -156.7 | -167.7 | 52.6 | 44.4 | -22.5 | 0 | 0 | 0 | 118.1 | |||||
| 974 | R | 26.9 | Very low | 29 | Very low | 229 Ų | 229 | 134.2 Ų | 134.2 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 77.8 | 99 | 157.8 | -76.7 | -177.3 | 167.8 | 134.4 | -0.5 | 119.8 | ||||
| 975 | N | 29.7 | Very low | 29 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -63.4 | 167.7 | 136.8 | -63 | -14.6 | 0 | 0 | 0 | 110.3 | ||||
| 976 | P | 30.4 | Very low | 28.7 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | -128.8 | 147.6 | 107.6 | 36.9 | -32.7 | 0 | 0 | 0 | 114.7 | |||||
| 977 | A | 25.6 | Very low | 28.8 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | -113.9 | 179.7 | 146.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 978 | T | 27.8 | Very low | 28.6 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | cis | -161.5 | 151.3 | 24.8 | 45.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 979 | S | 26.7 | Very low | 28.4 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -167.5 | 130.6 | 141.2 | 47.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 980 | V | 28.1 | Very low | 28.1 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | cis | 80.5 | 79.8 | 10.6 | -163.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 981 | T | 28.2 | Very low | 28.1 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 83% | 0.828 | 81% | 0.809 | S | S | * | * | trans | 179.4 | 159.2 | 137.8 | 37.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 982 | S | 30 | Very low | 28.1 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | cis | -165.4 | 154.4 | -28.7 | 50.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 983 | Q | 27.3 | Very low | 28.1 | Very low | 198 Ų | 198 | 140.9 Ų | 140.9 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | 9.6 | 136.3 | 160 | -60 | 179.7 | -9 | 0 | 0 | 120.9 | ||||
| 984 | G | 27.2 | Very low | 27.6 | Very low | 80 Ų | 80 | 142.6 Ų | 142.6 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | 168.8 | 91.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 985 | T | 31.8 | Very low | 27.6 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -82.4 | 124.6 | 161.2 | 42.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 986 | Q | 27.6 | Very low | 27.3 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -158.7 | 133.5 | 153.3 | -116.8 | 167.4 | 38.6 | 0 | 0 | 112.1 | ||||
| 987 | T | 28 | Very low | 27.1 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -94 | 124.4 | 166.6 | 46.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 988 | L | 26.2 | Very low | 27.1 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -137.4 | 148.2 | 157.8 | -78.5 | 178.6 | 0 | 0 | 0 | 109 | ||||
| 989 | A | 24.6 | Very low | 27.1 | Very low | 89 Ų | 89 | 139.6 Ų | 139.6 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -128.6 | 141 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 990 | L | 25.1 | Very low | 27.2 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | 178.4 | 163.4 | 140 | -100.2 | 166.4 | 0 | 0 | 0 | 112.7 | ||||
| 991 | Q | 26.1 | Very low | 27.1 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | trans | 61.3 | 93 | 154.4 | -78 | 161.6 | -81.1 | 0 | 0 | 120.6 | ||||
| 992 | L | 29 | Very low | 27.2 | Very low | 154 Ų | 154 | 150.8 Ų | 150.8 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | 5.3 | 131.6 | 111.1 | -70.1 | 161 | 0 | 0 | 0 | 117.5 | |||||
| 993 | Q | 27.8 | Very low | 27.4 | Very low | 194 Ų | 194 | 151.9 Ų | 151.9 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | trans | -133.9 | 148.6 | 150 | -160.5 | 97.1 | 35.4 | 0 | 0 | 108 | ||||
| 994 | N | 25.3 | Very low | 28.6 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -102.9 | -163.1 | -169.2 | -58.2 | -24.1 | 0 | 0 | 0 | 113 | ||||
| 995 | A | 27.1 | Very low | 28.8 | Very low | 87 Ų | 87 | 151.5 Ų | 151.5 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | trans | 84.2 | 121.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 996 | E | 24 | Very low | 29.9 | Very low | 170 Ų | 170 | 149.9 Ų | 149.9 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | cis | 101.3 | 104.6 | 24.7 | -65.3 | 176.8 | 137.4 | 0 | 0 | 114.9 | ||||
| 997 | T | 25.7 | Very low | 29.9 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 69% | 0.693 | 79% | 0.785 | S | S | * | * | trans | 62.6 | 138.4 | 134.7 | 58.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 998 | Q | 26.1 | Very low | 30.2 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 73.2 | 151.5 | 150.1 | -68.8 | 167.6 | 5.3 | 0 | 0 | 117.3 | ||||
| 999 | T | 26.3 | Very low | 30.6 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | cis | -152.5 | 155.1 | -0.7 | -2.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1000 | E | 29.6 | Very low | 31.1 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | 18.8 | 139.9 | 147.7 | -68.3 | 169.5 | 180 | 0 | 0 | 125 | ||||
| 1001 | R | 26.4 | Very low | 31.6 | Very low | 249 Ų | 249 | 140.7 Ų | 140.7 | 94% | 0.94 | 79% | 0.79 | S | S | * | * | -163.3 | 154.2 | 122.4 | -121.1 | 178.7 | 178.4 | 176.4 | -0.6 | 113.7 | |||||
| 1002 | E | 29.9 | Very low | 31.7 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -130.4 | -169.2 | -174 | -71.7 | -168.2 | 130.4 | 0 | 0 | 113.6 | ||||
| 1003 | V | 33.9 | Very low | 33.1 | Very low | 126 Ų | 126 | 135 Ų | 135 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | 92.9 | 136.5 | 152.2 | 174.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1004 | P | 52.4 | Low | 33.4 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | cis | -153 | 177.3 | -27 | 45.1 | -25.5 | 0 | 0 | 0 | 119.4 | ||||
| 1005 | E | 31.8 | Very low | 33.7 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 58.4 | 167.8 | 135.1 | -75.8 | -79.2 | 77.4 | 0 | 0 | 124.5 | ||||
| 1006 | P | 55.8 | Low | 33.8 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | cis | -136 | 177 | -24.9 | 36.8 | -19.3 | 0 | 0 | 0 | 116.2 | ||||
| 1007 | G | 27.7 | Very low | 34 | Very low | 76 Ų | 76 | 133.4 Ų | 133.4 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 175.9 | 84.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1008 | T | 33.8 | Very low | 34 | Very low | 149 Ų | 149 | 131.1 Ų | 131.1 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | -64.3 | 164.4 | 178.1 | 15.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1009 | A | 34.3 | Very low | 34.1 | Very low | 93 Ų | 93 | 128 Ų | 128 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | cis | -143.2 | -156 | 16 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1010 | A | 35.9 | Very low | 34.2 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | cis | -157.1 | -162 | 10.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1011 | S | 35.3 | Very low | 34 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -120.7 | -170.5 | 174.3 | 68.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1012 | G | 28 | Very low | 34 | Very low | 66 Ų | 66 | 123.2 Ų | 123.2 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | cis | 164.5 | -157.7 | 11.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1013 | P | 58.7 | Low | 33.8 | Very low | 128 Ų | 128 | 119.3 Ų | 119.3 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | cis | -127 | 178 | -8.2 | 42.1 | -27.9 | 0 | 0 | 0 | 113.9 | ||||
| 1014 | G | 33.5 | Very low | 33.5 | Very low | 72 Ų | 72 | 118.9 Ų | 118.9 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | 70.7 | -179 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1015 | E | 32.4 | Very low | 32.5 | Very low | 205 Ų | 205 | 117.6 Ų | 117.6 | 96% | 0.958 | 80% | 0.795 | S | S | * | * | cis | -145.3 | 159.9 | -22.4 | -61.2 | -166.8 | 133.5 | 0 | 0 | 105.9 | ||||
| 1016 | G | 28.8 | Very low | 32.4 | Very low | 74 Ų | 74 | 118.2 Ų | 118.2 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | cis | 152.5 | 129.7 | 0.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1017 | E | 26.6 | Very low | 31.6 | Very low | 206 Ų | 206 | 117.6 Ų | 117.6 | 96% | 0.963 | 79% | 0.788 | S | S | * | * | cis | -135.2 | 174.3 | 3.8 | -65.4 | -162.9 | 84.9 | 0 | 0 | 109.2 | ||||
| 1018 | G | 26.6 | Very low | 32.1 | Very low | 64 Ų | 64 | 117.7 Ų | 117.7 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | cis | 157.1 | 170.7 | -3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1019 | S | 28.2 | Very low | 32.4 | Very low | 110 Ų | 110 | 115.3 Ų | 115.3 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | 62.2 | 130.1 | 175.2 | -174.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1020 | E | 27.7 | Very low | 32.7 | Very low | 154 Ų | 154 | 113.8 Ų | 113.8 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | cis | -158.1 | 161.4 | -12.6 | -115.8 | -175 | 148.9 | 0 | 0 | 111.6 | ||||
| 1021 | Y | 26.8 | Very low | 33.1 | Very low | 214 Ų | 214 | 118.7 Ų | 118.7 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | 33.6 | 133.7 | 158.8 | -76.4 | -79.4 | 0 | 0 | 0 | 123.8 | ||||
| 1022 | G | 25.1 | Very low | 33.6 | Very low | 70 Ų | 70 | 117.6 Ų | 117.6 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | 139.4 | 92.1 | 121.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1023 | A | 26.4 | Very low | 34 | Very low | 97 Ų | 97 | 121 Ų | 121 | 80% | 0.802 | 73% | 0.725 | S | S | * | * | trans | 61.7 | 147.8 | 140.4 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1024 | S | 27.3 | Very low | 33 | Very low | 116 Ų | 116 | 125 Ų | 125 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | trans | 30.4 | 120.7 | 146.1 | 61.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1025 | G | 30.6 | Very low | 33.4 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 78% | 0.784 | 73% | 0.726 | S | S | * | * | 87.8 | -170.5 | 123 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1026 | E | 31 | Very low | 33.5 | Very low | 182 Ų | 182 | 126 Ų | 126 | 85% | 0.85 | 72% | 0.715 | S | S | * | * | trans | 60.3 | 116.1 | 167.8 | -57.1 | -162 | 159 | 0 | 0 | 121 | ||||
| 1027 | D | 38.2 | Very low | 33.9 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 51% | 0.508 | 71% | 0.71 | S | S | . | * | trans | 53.5 | 103.3 | 135.4 | -85.2 | 2.5 | 0 | 0 | 0 | 121.2 | L1029 S1030 | D1027-L1029 HydrophobicContact CB-CB 3.96Å; D1027-L1029 PolarHBondContact O-N 3.48Å; D1027-L1029 VanDerWaalsContact O-N 3.16Å; D1027-L1029 WeakPolarHBondContact OD2-CD1 3.5Å; D1027-S1030 WeakPolarHBondContact O-CB 3.33Å; D1027-S1030 PolarHBondContact O-N 3.36Å; D1027-S1030 VanDerWaalsContact O-N 3.07Å; D1027-S1030 PolarHBondContact O-OG 3.28Å | ||
| 1028 | A | 38.1 | Very low | 34.3 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 65% | 0.645 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -55 | -20 | 147.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1030 R1031 I1032 | A1028-S1030 VanDerWaalsContact C-N 3.25Å; A1028-S1030 PolarHBondContact O-N 3.09Å; A1028-R1031 PolarHBondContact O-N 3.13Å; A1028-I1032 WeakPolarHBondContact O-CG1 3.44Å; A1028-I1032 PolarHBondContact O-N 3.31Å |
| 1029 | L | 41.2 | Very low | 35.1 | Very low | 99 Ų | 99 | 126 Ų | 126 | 52% | 0.518 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -62.8 | -29.5 | 172.7 | -64.9 | 171.2 | 0 | 0 | 0 | 112.4 | D1027 I1032 Q1033 | D1027-L1029 HydrophobicContact CB-CB 3.96Å; D1027-L1029 PolarHBondContact O-N 3.48Å; D1027-L1029 VanDerWaalsContact O-N 3.16Å; D1027-L1029 WeakPolarHBondContact OD2-CD1 3.5Å; L1029-I1032 PolarHBondContact O-N 3.03Å; L1029-Q1033 PolarHBondContact O-N 3.5Å |
| 1030 | S | 40.7 | Very low | 35.1 | Very low | 60 Ų | 60 | 123.8 Ų | 123.8 | 42% | 0.42 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -65.8 | -40.7 | 176.2 | 70.6 | 0 | 0 | 0 | 0 | 112.3 | D1027 A1028 Q1033 R1034 | D1027-S1030 WeakPolarHBondContact O-CB 3.33Å; D1027-S1030 PolarHBondContact O-N 3.36Å; D1027-S1030 VanDerWaalsContact O-N 3.07Å; D1027-S1030 PolarHBondContact O-OG 3.28Å; A1028-S1030 VanDerWaalsContact C-N 3.25Å; A1028-S1030 PolarHBondContact O-N 3.09Å; S1030-Q1033 PolarHBondContact O-N 2.87Å; S1030-R1034 PolarHBondContact O-N 3.47Å; S1030-R1034 VanDerWaalsContact O-N 3.08Å |
| 1031 | R | 43.2 | Very low | 35.1 | Very low | 204 Ų | 204 | 125.9 Ų | 125.9 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -67.8 | -36.1 | 174.2 | -70.2 | -170.9 | 177.4 | -163.6 | -1.8 | 111.9 | A1028 L1035 | A1028-R1031 PolarHBondContact O-N 3.13Å; R1031-L1035 PolarHBondContact O-N 3.28Å |
| 1032 | I | 46.1 | Very low | 35 | Very low | 99 Ų | 99 | 122 Ų | 122 | 51% | 0.508 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -67.7 | -37.6 | 175.2 | -67.5 | 168.8 | 0 | 0 | 0 | 111.2 | A1028 L1029 | A1028-I1032 WeakPolarHBondContact O-CG1 3.44Å; A1028-I1032 PolarHBondContact O-N 3.31Å; L1029-I1032 PolarHBondContact O-N 3.03Å |
| 1033 | Q | 36.2 | Very low | 35.4 | Very low | 139 Ų | 139 | 123.2 Ų | 123.2 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -73.4 | -36.4 | 177.6 | -73.5 | -171.8 | 1.4 | 0 | 0 | 113.7 | L1029 S1030 L1035 M1036 | L1029-Q1033 PolarHBondContact O-N 3.5Å; S1030-Q1033 PolarHBondContact O-N 2.87Å; Q1033-L1035 PolarHBondContact O-N 3.39Å; Q1033-M1036 HydrophobicContact CG-CE 4.1Å; Q1033-M1036 PolarHBondContact O-N 3.21Å; Q1033-M1036 VanDerWaalsContact O-N 3.14Å |
| 1034 | R | 39 | Very low | 35.3 | Very low | 211 Ų | 211 | 124.7 Ų | 124.7 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -65.1 | -35.8 | 173.1 | -89.4 | -174.7 | 167.9 | 123.9 | -3.2 | 113 | S1030 M1036 A1037 | S1030-R1034 PolarHBondContact O-N 3.47Å; S1030-R1034 VanDerWaalsContact O-N 3.08Å; R1034-M1036 PolarHBondContact O-N 3.19Å; R1034-M1036 VanDerWaalsContact O-N 3.17Å; R1034-A1037 WeakPolarHBondContact O-CB 3.46Å; R1034-A1037 PolarHBondContact O-N 2.95Å; R1034-A1037 VanDerWaalsContact O-N 3.12Å |
| 1035 | L | 40.2 | Very low | 35.6 | Very low | 152 Ų | 152 | 125.8 Ų | 125.8 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -0.9 | 173.5 | -84.2 | 165.2 | 0 | 0 | 0 | 114.7 | R1031 Q1033 | R1031-L1035 PolarHBondContact O-N 3.28Å; Q1033-L1035 PolarHBondContact O-N 3.39Å |
| 1036 | M | 35.3 | Very low | 35.4 | Very low | 147 Ų | 147 | 129.1 Ų | 129.1 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 1.8 | 169.3 | -67.6 | -167.7 | -65.8 | 0 | 0 | 113.7 | Q1033 R1034 | Q1033-M1036 HydrophobicContact CG-CE 4.1Å; Q1033-M1036 PolarHBondContact O-N 3.21Å; Q1033-M1036 VanDerWaalsContact O-N 3.14Å; R1034-M1036 PolarHBondContact O-N 3.19Å; R1034-M1036 VanDerWaalsContact O-N 3.17Å |
| 1037 | A | 37.4 | Very low | 35.2 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -35.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R1034 | R1034-A1037 WeakPolarHBondContact O-CB 3.46Å; R1034-A1037 PolarHBondContact O-N 2.95Å; R1034-A1037 VanDerWaalsContact O-N 3.12Å |
| 1038 | E | 35 | Very low | 34.6 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -121.8 | 117.3 | -173.1 | -67.6 | -179.2 | 166 | 0 | 0 | 111.5 | G1040 | E1038-G1040 PolarHBondContact O-N 2.71Š|
| 1039 | G | 42.7 | Very low | 34.1 | Very low | 91 Ų | 91 | 136.3 Ų | 136.3 | 94% | 0.938 | 73% | 0.727 | S | S | * | * | trans | -81 | 67.8 | -162.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1040 | G | 27.8 | Very low | 33.2 | Very low | 63 Ų | 63 | 135.3 Ų | 135.3 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | trans | -87.4 | 99.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1038 T1042 | E1038-G1040 PolarHBondContact O-N 2.71Å; G1040-T1042 PolarHBondContact O-N 2.94Å; G1040-T1042 VanDerWaalsContact O-N 3.08Å | ||
| 1041 | M | 27.8 | Very low | 32.5 | Very low | 199 Ų | 199 | 137.8 Ų | 137.8 | 98% | 0.98 | 74% | 0.741 | S | S | * | * | trans | -70.8 | 99.3 | 168.7 | -73.4 | -170.5 | -178.5 | 0 | 0 | 110.8 | ||||
| 1042 | T | 26.2 | Very low | 31.5 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -104.1 | 142.1 | 170 | 49.4 | 0 | 0 | 0 | 0 | 111.2 | G1040 V1044 | G1040-T1042 PolarHBondContact O-N 2.94Å; G1040-T1042 VanDerWaalsContact O-N 3.08Å; T1042-V1044 PolarHBondContact O-N 2.93Å | ||
| 1043 | A | 33.8 | Very low | 30.7 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | -83.7 | 118.5 | -160.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1044 | V | 24.5 | Very low | 30 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | trans | -80.6 | 117.8 | 158.7 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | T1042 Q1046 | T1042-V1044 PolarHBondContact O-N 2.93Å; V1044-Q1046 PolarHBondContact O-N 3.45Å | ||
| 1045 | V | 32.2 | Very low | 29.4 | Very low | 139 Ų | 139 | 124 Ų | 124 | 84% | 0.842 | 72% | 0.717 | S | S | * | * | trans | -74.8 | 75.4 | 178 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | R1047 | V1045-R1047 PolarHBondContact O-N 2.94Š| ||
| 1046 | Q | 26.2 | Very low | 29 | Very low | 147 Ų | 147 | 122.8 Ų | 122.8 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | trans | -81.1 | 106.7 | 176.9 | -171 | 157.4 | -25.1 | 0 | 0 | 110.3 | V1044 E1048 | V1044-Q1046 PolarHBondContact O-N 3.45Å; Q1046-E1048 VanDerWaalsContact C-N 3.31Å; Q1046-E1048 HydrophobicContact CG-CG 4.35Å; Q1046-E1048 PolarHBondContact O-N 3.29Å | ||
| 1047 | R | 26.7 | Very low | 28.7 | Very low | 240 Ų | 240 | 117.5 Ų | 117.5 | 91% | 0.906 | 69% | 0.693 | S | S | * | * | trans | -72.8 | 71.9 | -172.1 | -169 | -178.1 | -176.1 | -179.3 | 2.8 | 112.8 | V1045 Q1049 | V1045-R1047 PolarHBondContact O-N 2.94Å; R1047-Q1049 PolarHBondContact O-N 3.31Å | ||
| 1048 | E | 26.1 | Very low | 28.3 | Very low | 148 Ų | 148 | 116.2 Ų | 116.2 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | trans | -73.8 | 81.8 | 178.3 | -62.5 | -149 | 136.7 | 0 | 0 | 113.1 | Q1046 | Q1046-E1048 VanDerWaalsContact C-N 3.31Å; Q1046-E1048 HydrophobicContact CG-CG 4.35Å; Q1046-E1048 PolarHBondContact O-N 3.29Å | ||
| 1049 | Q | 26.9 | Very low | 27.9 | Very low | 118 Ų | 118 | 116.2 Ų | 116.2 | 55% | 0.551 | 69% | 0.685 | S | S | * | * | trans | -110.1 | 76.5 | 151.5 | -71.6 | -160.2 | -4.7 | 0 | 0 | 109.5 | R1047 | R1047-Q1049 PolarHBondContact O-N 3.31Š| ||
| 1050 | S | 23.9 | Very low | 27.1 | Very low | 77 Ų | 77 | 113.9 Ų | 113.9 | 54% | 0.538 | 66% | 0.661 | S | S | . | * | trans | -106.7 | 33.6 | 178.2 | 49.4 | 0 | 0 | 0 | 0 | 112 | T1052 | S1050-T1052 VanDerWaalsContact C-N 3.3Å; S1050-T1052 PolarHBondContact O-N 3.1Å; S1050-T1052 PolarHBondContact O-OG1 3.43Å; S1050-T1052 VanDerWaalsContact O-OG1 3.12Å | ||
| 1051 | T | 24.9 | Very low | 27.1 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 69% | 0.693 | 66% | 0.661 | S | S | * | * | trans | -58 | 92.9 | 167.9 | 48.7 | 0 | 0 | 0 | 0 | 109.3 | M1053 | T1051-M1053 PolarHBondContact O-N 3.2Å; T1051-M1053 VanDerWaalsContact O-N 3.1Å | ||
| 1052 | T | 23.3 | Very low | 27 | Very low | 127 Ų | 127 | 112.5 Ų | 112.5 | 78% | 0.779 | 64% | 0.642 | S | S | * | * | trans | -75.3 | 103.6 | -174.4 | -63.6 | 0 | 0 | 0 | 0 | 107.9 | S1050 A1054 | S1050-T1052 VanDerWaalsContact C-N 3.3Å; S1050-T1052 PolarHBondContact O-N 3.1Å; S1050-T1052 PolarHBondContact O-OG1 3.43Å; S1050-T1052 VanDerWaalsContact O-OG1 3.12Å; T1052-A1054 PolarHBondContact O-N 3.36Å | ||
| 1053 | M | 27.7 | Very low | 26.8 | Very low | 131 Ų | 131 | 113.5 Ų | 113.5 | 65% | 0.645 | 64% | 0.641 | S | S | * | * | trans | -56.9 | 104.4 | -176.3 | -70.7 | -69.9 | -73.6 | 0 | 0 | 111.1 | T1051 | T1051-M1053 PolarHBondContact O-N 3.2Å; T1051-M1053 VanDerWaalsContact O-N 3.1Å | ||
| 1054 | A | 23.3 | Very low | 26.4 | Very low | 56 Ų | 56 | 115.4 Ų | 115.4 | 46% | 0.463 | 64% | 0.637 | S | S | . | * | trans | -66.3 | 154.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | T1052 M1056 | T1052-A1054 PolarHBondContact O-N 3.36Å; A1054-M1056 PolarHBondContact O-N 2.98Å; A1054-M1056 VanDerWaalsContact O-N 3.09Å | ||
| 1055 | S | 25.1 | Very low | 26.3 | Very low | 49 Ų | 49 | 114.5 Ų | 114.5 | 34% | 0.343 | 63% | 0.631 | S | S | . | * | trans | -70.2 | 104.7 | 170.4 | -169.9 | 0 | 0 | 0 | 0 | 108.4 | G1057 | S1055-G1057 PolarHBondContact O-N 2.96Š| ||
| 1056 | M | 32 | Very low | 25.9 | Very low | 126 Ų | 126 | 112.2 Ų | 112.2 | 62% | 0.621 | 62% | 0.621 | S | S | * | * | trans | -82.8 | 51.3 | 175.2 | -66.2 | -147.8 | -50.6 | 0 | 0 | 111.8 | A1054 G1058 F1059 | A1054-M1056 PolarHBondContact O-N 2.98Å; A1054-M1056 VanDerWaalsContact O-N 3.09Å; M1056-G1058 VanDerWaalsContact C-N 3.33Å; M1056-G1058 PolarHBondContact O-N 2.97Å; M1056-F1059 HydrophobicContact CB-CD2 3.98Å; M1056-F1059 HydrophobicContact CG-CD2 3.95Å; M1056-F1059 HydrophobicContact CG-CE2 4.13Å; M1056-F1059 HydrophobicContact SD-CD2 3.61Å; M1056-F1059 HydrophobicContact SD-CE2 3.84Å; M1056-F1059 HydrophobicContact SD-CG 4.36Å | ||
| 1057 | G | 29.1 | Very low | 25.9 | Very low | 37 Ų | 37 | 113 Ų | 113 | 38% | 0.381 | 62% | 0.624 | S | S | . | * | trans | -81.2 | 80.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | S1055 | S1055-G1057 PolarHBondContact O-N 2.96Š| ||
| 1058 | G | 29.5 | Very low | 25.7 | Very low | 53 Ų | 53 | 112.2 Ų | 112.2 | 55% | 0.546 | 62% | 0.622 | S | S | . | * | trans | 139 | 50.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116 | M1056 | M1056-G1058 VanDerWaalsContact C-N 3.33Å; M1056-G1058 PolarHBondContact O-N 2.97Å | ||
| 1059 | F | 26.6 | Very low | 26 | Very low | 171 Ų | 171 | 112 Ų | 112 | 75% | 0.75 | 62% | 0.624 | S | S | * | * | trans | -122.7 | 43.7 | 168.9 | -83.2 | -79.6 | 0 | 0 | 0 | 113 | M1056 | M1056-F1059 HydrophobicContact CB-CD2 3.98Å; M1056-F1059 HydrophobicContact CG-CD2 3.95Å; M1056-F1059 HydrophobicContact CG-CE2 4.13Å; M1056-F1059 HydrophobicContact SD-CD2 3.61Å; M1056-F1059 HydrophobicContact SD-CE2 3.84Å; M1056-F1059 HydrophobicContact SD-CG 4.36Å | ||
| 1060 | G | 25.8 | Very low | 26 | Very low | 42 Ų | 42 | 114.6 Ų | 114.6 | 43% | 0.433 | 64% | 0.636 | S | S | . | * | trans | -98.1 | 103.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | R182 | R182-G1060 PolarHBondContact NH1-O 3.17Å; R182-G1060 PolarHBondContact NH2-O 3.32Å | ||
| 1061 | N | 27.7 | Very low | 26.1 | Very low | 122 Ų | 122 | 122.1 Ų | 122.1 | 65% | 0.652 | 65% | 0.652 | S | S | * | * | trans | -154.1 | 128.5 | 165.2 | -96.4 | -10.4 | 0 | 0 | 0 | 106.7 | R182 I1063 | R182-N1061 PolarHBondContact NH2-OD1 3.38Å; N1061-I1063 PolarHBondContact O-N 3.04Å | ||
| 1062 | N | 25 | Very low | 26.1 | Very low | 111 Ų | 111 | 122.6 Ų | 122.6 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | trans | -71.1 | 100.1 | -163.1 | -60.1 | 0.9 | 0 | 0 | 0 | 111 | I1064 | N1062-I1064 VanDerWaalsContact C-N 3.32Å; N1062-I1064 HydrophobicContact CB-CG1 4.47Å; N1062-I1064 PolarHBondContact O-N 3.47Å; N1062-I1064 VanDerWaalsContact O-N 3.08Å | ||
| 1063 | I | 23.4 | Very low | 26.5 | Very low | 152 Ų | 152 | 122 Ų | 122 | 78% | 0.779 | 66% | 0.662 | S | S | * | * | trans | -80.8 | 87.1 | 166.8 | -56.4 | -176.7 | 0 | 0 | 0 | 107.7 | N1061 V1065 | N1061-I1063 PolarHBondContact O-N 3.04Å; I1063-V1065 HydrophobicContact CG2-CG2 3.92Å; I1063-V1065 PolarHBondContact O-N 3.45Å | ||
| 1064 | I | 23.8 | Very low | 26.7 | Very low | 138 Ų | 138 | 125 Ų | 125 | 71% | 0.708 | 67% | 0.674 | S | S | * | * | trans | -68.7 | 96.2 | 168.9 | -58 | 175.4 | 0 | 0 | 0 | 107.8 | N1062 S1066 | N1062-I1064 VanDerWaalsContact C-N 3.32Å; N1062-I1064 HydrophobicContact CB-CG1 4.47Å; N1062-I1064 PolarHBondContact O-N 3.47Å; N1062-I1064 VanDerWaalsContact O-N 3.08Å; I1064-S1066 PolarHBondContact O-N 3.07Å | ||
| 1065 | V | 23.8 | Very low | 26.9 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 66% | 0.655 | 70% | 0.695 | S | S | * | * | trans | -74.5 | 71.3 | 171.8 | -171.5 | 0 | 0 | 0 | 0 | 109.2 | I1063 H1067 | I1063-V1065 HydrophobicContact CG2-CG2 3.92Å; I1063-V1065 PolarHBondContact O-N 3.45Å; V1065-H1067 PolarHBondContact O-N 3.19Å; V1065-H1067 VanDerWaalsContact O-N 3.12Å | ||
| 1066 | S | 23.1 | Very low | 27 | Very low | 90 Ų | 90 | 130.2 Ų | 130.2 | 63% | 0.629 | 71% | 0.712 | S | S | * | * | trans | -71.8 | 102.1 | 174.9 | 50.2 | 0 | 0 | 0 | 0 | 110 | I1064 R1068 | I1064-S1066 PolarHBondContact O-N 3.07Å; S1066-R1068 PolarHBondContact O-N 2.73Å | ||
| 1067 | H | 25.1 | Very low | 26.7 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | trans | -69.1 | 74.4 | 173.8 | -96 | -92.6 | 0 | 0 | 0 | 111.4 | V1065 I1069 | V1065-H1067 PolarHBondContact O-N 3.19Å; V1065-H1067 VanDerWaalsContact O-N 3.12Å; H1067-I1069 PolarHBondContact O-N 3.18Å | ||
| 1068 | R | 24.3 | Very low | 26.6 | Very low | 224 Ų | 224 | 137.6 Ų | 137.6 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | trans | -87.3 | 82.2 | 174 | -152 | 174.5 | -161.7 | -179.5 | 6 | 110.4 | S1066 H1070 | S1066-R1068 PolarHBondContact O-N 2.73Å; R1068-H1070 PolarHBondContact O-N 3.44Å | ||
| 1069 | I | 31.8 | Very low | 27 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -62.2 | 116.8 | 171.4 | -59 | 172 | 0 | 0 | 0 | 108.5 | H1067 | H1067-I1069 PolarHBondContact O-N 3.18Š| ||
| 1070 | H | 25.8 | Very low | 27 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -136.6 | 141.4 | 160.3 | -109.8 | -94 | 0 | 0 | 0 | 110.5 | R1068 | R1068-H1070 PolarHBondContact O-N 3.44Š| ||
| 1071 | R | 27.9 | Very low | 27 | Very low | 234 Ų | 234 | 139.3 Ų | 139.3 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | trans | -73.8 | 147.5 | -172.7 | -64.2 | 172 | 177 | 157.6 | -3 | 111.1 | ||||
| 1072 | S | 25 | Very low | 27.1 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -71.4 | 143.9 | 160.7 | 42.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1073 | S | 29.9 | Very low | 27.2 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -135.2 | 139.5 | 161 | 56.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 1074 | Q | 31.8 | Very low | 27.4 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -77 | 157.6 | -169.3 | -66.1 | 139.3 | -59.4 | 0 | 0 | 112.9 | ||||
| 1075 | T | 27.6 | Very low | 27.5 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | trans | -77.3 | 131.7 | 162.9 | 48 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1076 | G | 27.8 | Very low | 27.7 | Very low | 67 Ų | 67 | 138.2 Ų | 138.2 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | -134.7 | 114.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1077 | T | 27 | Very low | 28.8 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | 33.4 | 110.5 | 152.6 | 53.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1078 | E | 26.3 | Very low | 28.9 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | 35.2 | 160.8 | 121.4 | -68.8 | -151.3 | 173.6 | 0 | 0 | 123.2 | |||||
| 1079 | P | 37.1 | Very low | 30.2 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | cis | -132.7 | 167.7 | -32.1 | 35.1 | -18.6 | 0 | 0 | 0 | 112.9 | ||||
| 1080 | G | 26.3 | Very low | 29.8 | Very low | 82 Ų | 82 | 133.5 Ų | 133.5 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -170.1 | 140.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1081 | A | 27.6 | Very low | 29.9 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -97.1 | 159.1 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1082 | A | 28.3 | Very low | 30.1 | Very low | 80 Ų | 80 | 124.7 Ų | 124.7 | 66% | 0.661 | 79% | 0.794 | S | S | * | * | trans | 68.7 | 107.9 | 141.3 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1083 | H | 28.3 | Very low | 30.3 | Very low | 179 Ų | 179 | 131 Ų | 131 | 83% | 0.829 | 80% | 0.799 | S | S | * | * | 68.9 | 150.9 | 121.4 | -72.9 | -77 | 0 | 0 | 0 | 124.1 | |||||
| 1084 | T | 26.3 | Very low | 30.2 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | 80.1 | 164 | 152.6 | 41 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1085 | S | 26.8 | Very low | 29.8 | Very low | 95 Ų | 95 | 127.5 Ų | 127.5 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | -131.5 | 138.2 | -153.5 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1086 | S | 26.9 | Very low | 30 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 56.3 | 159.2 | 149.3 | 68.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 1087 | P | 47.9 | Very low | 30.8 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | cis | -128.5 | -148.5 | -4.2 | 38.1 | -17.1 | 0 | 0 | 0 | 112.8 | ||||
| 1088 | Q | 26.6 | Very low | 31 | Very low | 177 Ų | 177 | 132.1 Ų | 132.1 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -73.4 | -168.3 | 171.3 | -48.8 | -178.4 | -43 | 0 | 0 | 112 | ||||
| 1089 | P | 50.3 | Low | 31.3 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | cis | -142.8 | -170.7 | 0.2 | 38.7 | -16 | 0 | 0 | 0 | 117.2 | ||||
| 1090 | S | 25 | Very low | 30.8 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | 127.4 | 141.3 | 129.1 | 74 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1091 | T | 27.8 | Very low | 31.2 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | -44.8 | 166.5 | 161.9 | 41.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1092 | S | 31.2 | Very low | 31.3 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | cis | -179.6 | 158.7 | -4.4 | 51.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 1093 | R | 30.1 | Very low | 31.6 | Very low | 255 Ų | 255 | 132.1 Ų | 132.1 | 96% | 0.962 | 78% | 0.78 | S | S | * | * | trans | 63.6 | 143.6 | 168.9 | -69.1 | 174.4 | 162 | 162.3 | -6.7 | 115.8 | ||||
| 1094 | G | 27.4 | Very low | 31.8 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | cis | 140.8 | 132 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1095 | L | 24 | Very low | 32 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -173.3 | 139.9 | 167.7 | -104.3 | 164.3 | 0 | 0 | 0 | 113.9 | ||||
| 1096 | L | 30.5 | Very low | 32 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 0.1 | 170.5 | 153.2 | -67.7 | 172 | 0 | 0 | 0 | 123.8 | ||||
| 1097 | P | 44.9 | Very low | 31.9 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | cis | -133.4 | -165.4 | 0.9 | 25.3 | 1.5 | 0 | 0 | 0 | 117.5 | ||||
| 1098 | E | 32.1 | Very low | 30.8 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -77.3 | -174.3 | -166.2 | -54.1 | 174.2 | 81.1 | 0 | 0 | 118 | ||||
| 1099 | A | 32.9 | Very low | 31.9 | Very low | 90 Ų | 90 | 133.5 Ų | 133.5 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | cis | -159.1 | 179.2 | 17.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1100 | G | 25 | Very low | 30.9 | Very low | 64 Ų | 64 | 139.7 Ų | 139.7 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | cis | 149.1 | 168.6 | -8.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1101 | Q | 35.3 | Very low | 31 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | 73.2 | 160.6 | 160.1 | -60.1 | -177.5 | 23.5 | 0 | 0 | 118.6 | ||||
| 1102 | L | 30.2 | Very low | 31 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | cis | -162.7 | 136.5 | -10 | -117.5 | 172.4 | 0 | 0 | 0 | 113.8 | ||||
| 1103 | A | 33.1 | Very low | 30.8 | Very low | 88 Ų | 88 | 139.2 Ų | 139.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 49.6 | 165.5 | 145.3 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1104 | E | 33.9 | Very low | 30.6 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 71% | 0.71 | 79% | 0.787 | S | S | * | * | cis | -157.8 | 162.3 | 6 | -151.1 | -170.3 | -144.6 | 0 | 0 | 115.2 | ||||
| 1105 | R | 29.6 | Very low | 30.4 | Very low | 228 Ų | 228 | 141 Ų | 141 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | 87.1 | 131.5 | 154.3 | -58.9 | -169.2 | -177.4 | -152.1 | -9.7 | 125.1 | ||||
| 1106 | G | 26.4 | Very low | 30.6 | Very low | 75 Ų | 75 | 141.2 Ų | 141.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 147.6 | 96.1 | 133 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1107 | L | 25.1 | Very low | 31.3 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 95% | 0.948 | 78% | 0.782 | S | S | * | * | trans | 74.5 | 179.8 | 147 | -60.4 | 175.2 | 0 | 0 | 0 | 123.2 | ||||
| 1108 | S | 25.4 | Very low | 30.4 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -146.6 | -161.6 | -155.3 | -45.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1109 | P | 49.2 | Very low | 30.3 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | cis | -144.9 | 170.5 | -5.2 | 43.8 | -24.7 | 0 | 0 | 0 | 119.6 | ||||
| 1110 | R | 29.7 | Very low | 30.5 | Very low | 239 Ų | 239 | 137.3 Ų | 137.3 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | 44.1 | 172 | 144.6 | -61.6 | 179.7 | 171 | -174.6 | -3.8 | 121.3 | ||||
| 1111 | T | 28 | Very low | 30.5 | Very low | 132 Ų | 132 | 138 Ų | 138 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | cis | -151.3 | 167.6 | 17.5 | 38.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1112 | A | 27 | Very low | 30 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | cis | -175.6 | -162.5 | -2.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1113 | S | 25.8 | Very low | 29.7 | Very low | 93 Ų | 93 | 143 Ų | 143 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | trans | -154.8 | -170.1 | -148.9 | 57.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 1114 | W | 26.6 | Very low | 30.2 | Very low | 226 Ų | 226 | 144.3 Ų | 144.3 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 85.6 | 152.3 | 176.3 | -53.8 | 88.9 | 0 | 0 | 0 | 115.2 | ||||
| 1115 | D | 24.2 | Very low | 29.8 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | cis | -149.9 | -177.9 | 18.3 | -138 | -37.8 | 0 | 0 | 0 | 115.4 | ||||
| 1116 | Q | 28.4 | Very low | 29.7 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -131.1 | -161.3 | 178.9 | -127.4 | -171.8 | 27.2 | 0 | 0 | 109.8 | ||||
| 1117 | P | 45.3 | Very low | 30.2 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | cis | -126 | -165.5 | -39.1 | 39 | -22.5 | 0 | 0 | 0 | 112.1 | ||||
| 1118 | G | 25.1 | Very low | 30.3 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 162.8 | 126.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1119 | T | 29.1 | Very low | 30.4 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -137 | 152.8 | 158 | 58.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1120 | P | 37 | Very low | 30 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | -149.7 | 169.6 | 96.8 | 38 | -19.8 | 0 | 0 | 0 | 114.8 | |||||
| 1121 | G | 25.9 | Very low | 29.8 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -110.9 | -172.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1122 | R | 25.2 | Very low | 29.7 | Very low | 251 Ų | 251 | 132.6 Ų | 132.6 | 95% | 0.947 | 77% | 0.773 | S | S | * | * | trans | -167.2 | 142.3 | 160.2 | -136.6 | -177.5 | 176.2 | 158.5 | -1.9 | 113.7 | ||||
| 1123 | E | 23.6 | Very low | 30 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -82.3 | 178.1 | 156.7 | -67.2 | -176.9 | 114.3 | 0 | 0 | 110.5 | ||||
| 1124 | P | 42.7 | Very low | 31 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | cis | -118.4 | -153.9 | 0.2 | 23.8 | 3.2 | 0 | 0 | 0 | 110.8 | ||||
| 1125 | T | 26.6 | Very low | 31.3 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | cis | -151.4 | 157.4 | 21.2 | 50.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 1126 | Q | 27 | Very low | 32.5 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -84.9 | 165.9 | 163.9 | -127.4 | 179 | 36.7 | 0 | 0 | 111.1 | ||||
| 1127 | P | 38.3 | Very low | 32.6 | Very low | 108 Ų | 108 | 127 Ų | 127 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | -150.8 | 156.8 | 73.5 | 39.6 | -19.4 | 0 | 0 | 0 | 119.7 | |||||
| 1128 | T | 25.3 | Very low | 32.6 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | 64.9 | 107.7 | 143.6 | 52.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1129 | L | 27.9 | Very low | 32.9 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | 46.2 | 155.1 | 107.5 | -62.8 | 172.1 | 0 | 0 | 0 | 121.5 | |||||
| 1130 | P | 41.6 | Very low | 33.1 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | cis | -144.4 | 178.9 | -28 | 37.9 | -17.7 | 0 | 0 | 0 | 116.4 | ||||
| 1131 | S | 24.8 | Very low | 32.6 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | 56.4 | 127.6 | 140.4 | 66.9 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1132 | S | 25.8 | Very low | 33.8 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 58 | 140.3 | 134.7 | 62.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 1133 | S | 33.7 | Very low | 34 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | -46.8 | 159.7 | 157.7 | 54.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1134 | P | 46.3 | Very low | 34.3 | Very low | 111 Ų | 111 | 120.3 Ų | 120.3 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | cis | -151.5 | 178.3 | 36.6 | 45.3 | -24.6 | 0 | 0 | 0 | 119.6 | ||||
| 1135 | V | 34 | Very low | 33.5 | Very low | 132 Ų | 132 | 124.4 Ų | 124.4 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | 14.8 | 145.4 | 133.5 | 176.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1136 | P | 48.4 | Very low | 33.6 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | cis | -146.5 | 163.5 | 22.7 | 29.2 | -4.2 | 0 | 0 | 0 | 121.3 | ||||
| 1137 | I | 30.8 | Very low | 34.6 | Very low | 158 Ų | 158 | 118.8 Ų | 118.8 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | trans | 64.4 | 168.3 | 140.1 | -68.1 | 169.1 | 0 | 0 | 0 | 117.1 | ||||
| 1138 | P | 46.7 | Very low | 34 | Very low | 105 Ų | 105 | 119.4 Ų | 119.4 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | cis | -125.2 | 172.2 | -6.3 | 18.6 | 7.7 | 0 | 0 | 0 | 118.5 | ||||
| 1139 | V | 31.2 | Very low | 34.1 | Very low | 133 Ų | 133 | 122.4 Ų | 122.4 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | 21.6 | 143 | 124.1 | -169.5 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1140 | S | 32.3 | Very low | 34 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | cis | -161 | 177.2 | 20 | 28.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1141 | L | 27.2 | Very low | 33.3 | Very low | 166 Ų | 166 | 123.6 Ų | 123.6 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -162.8 | 164.7 | 137.3 | -98.6 | 166.7 | 0 | 0 | 0 | 108.8 | ||||
| 1142 | P | 49.7 | Very low | 33.2 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | -123.7 | 145.7 | -127.3 | 38.5 | -21.5 | 0 | 0 | 0 | 115.1 | |||||
| 1143 | S | 30.5 | Very low | 33.3 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | 86.4 | 119.7 | 67.9 | 95.3 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1144 | A | 28.8 | Very low | 33 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -168.6 | 115.2 | 142.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1145 | E | 27.8 | Very low | 32 | Very low | 202 Ų | 202 | 130.1 Ų | 130.1 | 94% | 0.944 | 77% | 0.77 | S | S | * | * | trans | 25.7 | 137.9 | 140.7 | -58.1 | 166.3 | 163.3 | 0 | 0 | 120 | ||||
| 1146 | G | 28.4 | Very low | 31.7 | Very low | 74 Ų | 74 | 129.9 Ų | 129.9 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | cis | 135.6 | 166.3 | 15.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1147 | P | 46.8 | Very low | 30.7 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | cis | -114.6 | 145.4 | -9.2 | 39.9 | -26.7 | 0 | 0 | 0 | 113.9 | ||||
| 1148 | T | 26.8 | Very low | 30.6 | Very low | 121 Ų | 121 | 132 Ų | 132 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | 32.3 | 129.2 | 100.1 | 66.2 | 0 | 0 | 0 | 0 | 118 | |||||
| 1149 | L | 26.4 | Very low | 29.7 | Very low | 170 Ų | 170 | 134 Ų | 134 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | -165.1 | 170.5 | 84.6 | -100.2 | 170.9 | 0 | 0 | 0 | 115.8 | |||||
| 1150 | H | 25.5 | Very low | 29.7 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 82% | 0.819 | 77% | 0.768 | S | S | * | * | trans | -90.6 | 155.8 | 175.5 | -93.6 | -118.7 | 0 | 0 | 0 | 113.2 | ||||
| 1151 | C | 26.9 | Very low | 29.5 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | 170.1 | 148 | 108.1 | -96.8 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1152 | E | 24.2 | Very low | 29.5 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | 57 | 135.7 | 138.8 | -66.4 | -169.9 | 139.6 | 0 | 0 | 126.8 | ||||
| 1153 | L | 27 | Very low | 28.5 | Very low | 132 Ų | 132 | 131 Ų | 131 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | 59.2 | 125.8 | 130.7 | -64.1 | 168.9 | 0 | 0 | 0 | 124.3 | ||||
| 1154 | T | 26.7 | Very low | 28.3 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | 45.6 | 115.7 | 138.5 | 60.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1155 | N | 26.5 | Very low | 28.4 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | 44.5 | 133.1 | 124.7 | -101.2 | 11.3 | 0 | 0 | 0 | 123 | |||||
| 1156 | N | 28.3 | Very low | 28.5 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | 95.2 | 126.1 | 142.4 | -67.2 | -13.3 | 0 | 0 | 0 | 121.8 | ||||
| 1157 | N | 26.8 | Very low | 28.6 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 101.5 | 149.2 | 144.2 | -62.1 | -18.4 | 0 | 0 | 0 | 121.5 | ||||
| 1158 | H | 28.8 | Very low | 27.8 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | 78.3 | 89.3 | 164.7 | -59.8 | -65.2 | 0 | 0 | 0 | 121.4 | ||||
| 1159 | L | 28.2 | Very low | 28 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | 31.7 | 136.7 | 108.3 | -78.5 | 162.8 | 0 | 0 | 0 | 121.5 | |||||
| 1160 | L | 30.6 | Very low | 28.2 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | 73.6 | 155.6 | 154.5 | -62.5 | 164.3 | 0 | 0 | 0 | 116.4 | ||||
| 1161 | D | 28.2 | Very low | 28.4 | Very low | 151 Ų | 151 | 125.9 Ų | 125.9 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | cis | -148.4 | 169.9 | 8.1 | -149.9 | -13.4 | 0 | 0 | 0 | 113.6 | ||||
| 1162 | G | 27.6 | Very low | 29.6 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | 81.8 | 139.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1163 | G | 27.1 | Very low | 29.8 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | cis | 121.8 | 139.5 | 4.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1164 | S | 27.6 | Very low | 29.9 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | -171.9 | 159.6 | -9.2 | 60.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1165 | S | 30 | Very low | 30.4 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 69.2 | 161.8 | 165.9 | 94.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1166 | R | 30.5 | Very low | 31.3 | Very low | 244 Ų | 244 | 129.6 Ų | 129.6 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | cis | -167.6 | 168 | -20.4 | -123.5 | 179.9 | 171.9 | 174.1 | -3.3 | 109 | ||||
| 1167 | G | 29.2 | Very low | 31.4 | Very low | 61 Ų | 61 | 134.1 Ų | 134.1 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | 104.6 | 85.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1168 | D | 30.4 | Very low | 31.6 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | 41.4 | 153.1 | 119.1 | -66.2 | -63.5 | 0 | 0 | 0 | 125 | |||||
| 1169 | A | 30.8 | Very low | 31.9 | Very low | 90 Ų | 90 | 141.9 Ų | 141.9 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | 89.3 | 100 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1170 | A | 31.2 | Very low | 32.1 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | 61.4 | 137.6 | 121.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1171 | G | 30.1 | Very low | 32.1 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | trans | 148.8 | 117.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1172 | P | 52.2 | Low | 32.4 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | -120.8 | 174.4 | -171.2 | 42.1 | -33 | 0 | 0 | 0 | 116.3 | ||||
| 1173 | R | 27.6 | Very low | 32.6 | Very low | 253 Ų | 253 | 145.1 Ų | 145.1 | 96% | 0.955 | 83% | 0.827 | S | S | * | * | trans | 83.5 | 134.3 | 165.9 | -62.1 | -178.1 | 164.1 | -159.5 | -4.2 | 117.8 | ||||
| 1174 | G | 29.8 | Very low | 33 | Very low | 78 Ų | 78 | 149.3 Ų | 149.3 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | 163.6 | 81.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1175 | E | 37.1 | Very low | 33.3 | Very low | 190 Ų | 190 | 152.1 Ų | 152.1 | 89% | 0.888 | 83% | 0.834 | S | S | * | * | trans | -67.5 | 164 | 149.7 | -80.6 | -162.7 | 141.6 | 0 | 0 | 109.1 | ||||
| 1176 | P | 45.7 | Very low | 33.6 | Very low | 103 Ų | 103 | 155.1 Ų | 155.1 | 67% | 0.669 | 84% | 0.838 | S | S | * | * | cis | -149.3 | 178.6 | 27.2 | 44.3 | -24.7 | 0 | 0 | 0 | 118.7 | ||||
| 1177 | R | 30.6 | Very low | 33.8 | Very low | 222 Ų | 222 | 148.2 Ų | 148.2 | 84% | 0.838 | 83% | 0.832 | S | S | * | * | trans | 60.7 | 144.7 | 137.7 | -89.4 | 178.7 | 169.1 | 164.4 | -3.2 | 123.2 | ||||
| 1178 | N | 30.5 | Very low | 34.2 | Very low | 141 Ų | 141 | 155.5 Ų | 155.5 | 75% | 0.754 | 85% | 0.849 | S | S | * | * | trans | 71.2 | 87.2 | 149.6 | -60.8 | 2.6 | 0 | 0 | 0 | 118.5 | ||||
| 1179 | R | 34.4 | Very low | 34.5 | Very low | 322 Ų | 322 | 154.7 Ų | 154.7 | 100% | 1.215 | 85% | 0.846 | S | S | * | * | -153.2 | 0 | 87 | -108.8 | 176.9 | 175.5 | 166 | -1.4 | 111.7 |
Retrieved 1,179 of 1,179 residues in 441.1 ms
(Link to these results)