| 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 | 37.4 | Very low | 38.1 | Very low | 214 Ų | 214 | 93.1 Ų | 93.1 | 100% | 1.054 | 49% | 0.489 | S | S | * | . | 0 | -42.1 | 0 | -71 | -151.7 | -64.9 | 0 | 0 | 113.5 | L3 H4 A5 | M1-L3 PolarHBondContact O-N 2.93Å; M1-H4 PolarHBondContact O-N 3.27Å; M1-A5 PolarHBondContact O-N 3.47Å | |||
| 2 | V | 31 | Very low | 38.6 | Very low | 53 Ų | 53 | 103.9 Ų | 103.9 | 32% | 0.321 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | -177.5 | 167.7 | 0 | 0 | 0 | 0 | 114.6 | A6 V70 | V2-A6 PolarHBondContact O-N 3.34Å; V2-V70 HydrophobicContact CB-CB 4.38Å; V2-V70 HydrophobicContact CB-CG2 4.08Å; V2-V70 HydrophobicContact CG1-CB 3.59Å; V2-V70 HydrophobicContact CG1-CG1 3.81Å; V2-V70 HydrophobicContact CG1-CG2 3.19Å; V2-V70 HydrophobicContact CG2-CB 4.01Å; V2-V70 HydrophobicContact CG2-CG2 3.71Å |
| 3 | L | 33.5 | Very low | 38.9 | Very low | 107 Ų | 107 | 97.7 Ų | 97.7 | 56% | 0.56 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.2 | -35.2 | -178.9 | -83.2 | 144.7 | 0 | 0 | 0 | 112.7 | M1 A5 A6 E7 | M1-L3 PolarHBondContact O-N 2.93Å; L3-A5 VanDerWaalsContact C-N 3.31Å; L3-A5 PolarHBondContact O-N 3.06Å; L3-A6 PolarHBondContact O-N 3.43Å; L3-E7 PolarHBondContact O-N 3.1Å |
| 4 | H | 35.3 | Very low | 39.1 | Very low | 117 Ų | 117 | 95.6 Ų | 95.6 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68 | -31.3 | -178.1 | -157.9 | -35.4 | 0 | 0 | 0 | 112.4 | M1 M8 | M1-H4 PolarHBondContact O-N 3.27Å; H4-M8 WeakPolarHBondContact O-CB 3.48Å; H4-M8 VanDerWaalsContact O-CG 3.31Å; H4-M8 WeakPolarHBondContact O-CG 3.48Å; H4-M8 PolarHBondContact O-N 3.31Å; H4-M8 VanDerWaalsContact O-N 3.16Å |
| 5 | A | 37.1 | Very low | 39.5 | Very low | 44 Ų | 44 | 100.9 Ų | 100.9 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.4 | -39.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 L3 M8 M9 | M1-A5 PolarHBondContact O-N 3.47Å; L3-A5 VanDerWaalsContact C-N 3.31Å; L3-A5 PolarHBondContact O-N 3.06Å; A5-M8 PolarHBondContact O-N 2.9Å; A5-M9 VanDerWaalsContact O-CG 3.31Å; A5-M9 WeakPolarHBondContact O-CG 3.48Å; A5-M9 PolarHBondContact O-N 3.23Å; A5-M9 VanDerWaalsContact O-N 3.15Å |
| 6 | A | 37.9 | Very low | 39.5 | Very low | 28 Ų | 28 | 105.3 Ų | 105.3 | 23% | 0.231 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | V2 L3 M9 M10 | V2-A6 PolarHBondContact O-N 3.34Å; L3-A6 PolarHBondContact O-N 3.43Å; A6-M9 PolarHBondContact O-N 3.48Å; A6-M10 WeakPolarHBondContact O-CG 3.45Å; A6-M10 PolarHBondContact O-N 3.19Å |
| 7 | E | 39.5 | Very low | 39.5 | Very low | 102 Ų | 102 | 104.2 Ų | 104.2 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 173.7 | -83 | 178.9 | 138.9 | 0 | 0 | 112.6 | L3 M9 M10 N11 | L3-E7 PolarHBondContact O-N 3.1Å; E7-M9 VanDerWaalsContact C-N 3.26Å; E7-M9 PolarHBondContact O-N 3Å; E7-M10 PolarHBondContact O-N 3.09Å; E7-N11 PolarHBondContact O-N 3.01Å; E7-N11 VanDerWaalsContact O-N 3.09Å |
| 8 | M | 40.8 | Very low | 39.5 | Very low | 109 Ų | 109 | 105.8 Ų | 105.8 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -30.1 | 176.9 | -77.4 | -166.1 | -71.4 | 0 | 0 | 113 | H4 A5 | H4-M8 WeakPolarHBondContact O-CB 3.48Å; H4-M8 VanDerWaalsContact O-CG 3.31Å; H4-M8 WeakPolarHBondContact O-CG 3.48Å; H4-M8 PolarHBondContact O-N 3.31Å; H4-M8 VanDerWaalsContact O-N 3.16Å; A5-M8 PolarHBondContact O-N 2.9Å |
| 9 | M | 42.7 | Very low | 39.5 | Very low | 70 Ų | 70 | 100.6 Ų | 100.6 | 35% | 0.345 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -76.8 | -38.1 | 175.4 | -69.8 | -173.6 | 84.4 | 0 | 0 | 112.2 | A5 A6 E7 N11 R12 V13 C72 L74 | A5-M9 VanDerWaalsContact O-CG 3.31Å; A5-M9 WeakPolarHBondContact O-CG 3.48Å; A5-M9 PolarHBondContact O-N 3.23Å; A5-M9 VanDerWaalsContact O-N 3.15Å; A6-M9 PolarHBondContact O-N 3.48Å; E7-M9 VanDerWaalsContact C-N 3.26Å; E7-M9 PolarHBondContact O-N 3Å; M9-N11 VanDerWaalsContact C-N 3.35Å; M9-R12 PolarHBondContact O-N 3.23Å; M9-V13 WeakPolarHBondContact O-CG2 3.47Å; M9-C72 HydrophobicContact SD-CB 4.19Å; M9-L74 HydrophobicContact CB-CD1 4.05Å; M9-L74 HydrophobicContact CE-CB 3.94Å; M9-L74 HydrophobicContact CE-CD1 3.66Å; M9-L74 HydrophobicContact CE-CD2 4.16Å; M9-L74 HydrophobicContact CE-CG 4.12Å; M9-L74 HydrophobicContact SD-CD1 4.15Å |
| 10 | M | 41.4 | Very low | 39.4 | Very low | 35 Ų | 35 | 99 Ų | 99 | 17% | 0.172 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -67.5 | -33.4 | 178.7 | -67.5 | -78.1 | -91.4 | 0 | 0 | 112.3 | A6 E7 R12 V13 V19 V21 L41 L44 | A6-M10 WeakPolarHBondContact O-CG 3.45Å; A6-M10 PolarHBondContact O-N 3.19Å; E7-M10 PolarHBondContact O-N 3.09Å; M10-R12 PolarHBondContact O-N 3.02Å; M10-V13 PolarHBondContact O-N 3.32Å; M10-V19 HydrophobicContact SD-CB 3.99Å; M10-V19 HydrophobicContact SD-CG1 3.7Å; M10-V19 HydrophobicContact SD-CG2 4.14Å; M10-V21 HydrophobicContact SD-CG2 4.29Å; M10-L41 HydrophobicContact CE-CD2 3.93Å; M10-L44 HydrophobicContact CE-CD1 4.17Å |
| 11 | N | 42.9 | Very low | 39.6 | Very low | 145 Ų | 145 | 95.6 Ų | 95.6 | 78% | 0.775 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -7.4 | 175.8 | -75.8 | -20.7 | 0 | 0 | 0 | 114.6 | E7 M9 | E7-N11 PolarHBondContact O-N 3.01Å; E7-N11 VanDerWaalsContact O-N 3.09Å; M9-N11 VanDerWaalsContact C-N 3.35Å |
| 12 | R | 44.3 | Very low | 39.7 | Very low | 223 Ų | 223 | 85.8 Ų | 85.8 | 84% | 0.842 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 0.7 | 177 | -68.1 | -172.9 | 177.2 | -173.8 | -0.7 | 113.4 | M9 M10 | M9-R12 PolarHBondContact O-N 3.23Å; M10-R12 PolarHBondContact O-N 3.02Å |
| 13 | V | 42 | Very low | 40.2 | Very low | 23 Ų | 23 | 86.4 Ų | 86.4 | 14% | 0.139 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -92.1 | 128 | -178.5 | -174.8 | 0 | 0 | 0 | 0 | 110 | M9 M10 Q15 H17 V19 L74 M76 | M9-V13 WeakPolarHBondContact O-CG2 3.47Å; M10-V13 PolarHBondContact O-N 3.32Å; V13-Q15 PolarHBondContact O-N 2.98Å; V13-H17 HydrophobicContact CG1-CB 3.8Å; V13-V19 HydrophobicContact CB-CG2 4.04Å; V13-V19 HydrophobicContact CG1-CG2 3.61Å; V13-V19 HydrophobicContact CG2-CG2 3.88Å; V13-L74 HydrophobicContact CG2-CD2 4.13Å; V13-M76 HydrophobicContact CG1-CE 4.34Å; V13-M76 HydrophobicContact CG1-SD 3.83Å; V13-M76 HydrophobicContact CG2-SD 4.38Å |
| 14 | P | 42.1 | Very low | 40.4 | Very low | 69 Ų | 69 | 83.2 Ų | 83.2 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | trans | -54.2 | 138 | 170.9 | -21.2 | 29.7 | 0 | 0 | 0 | 111.2 | H16 H17 | P14-H16 PolarHBondContact O-N 3.43Å; P14-H17 PolarHBondContact O-N 3.47Å | ||
| 15 | Q | 45.3 | Very low | 40.5 | Very low | 174 Ų | 174 | 80.5 Ų | 80.5 | 81% | 0.813 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 1 | -174.6 | -69.7 | 178.9 | -15.1 | 0 | 0 | 115.9 | V13 | V13-Q15 PolarHBondContact O-N 2.98Š|
| 16 | H | 39 | Very low | 40.4 | Very low | 171 Ų | 171 | 80.1 Ų | 80.1 | 79% | 0.792 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | 19.8 | -177.6 | -64.8 | -57 | 0 | 0 | 0 | 114 | P14 | P14-H16 PolarHBondContact O-N 3.43Š|
| 17 | H | 39.3 | Very low | 40.1 | Very low | 88 Ų | 88 | 87.9 Ų | 87.9 | 41% | 0.407 | 42% | 0.421 | S | S | . | . | trans | -119.5 | 126.6 | -179.2 | -68.5 | -22.3 | 0 | 0 | 0 | 112.1 | V13 P14 V19 M76 | V13-H17 HydrophobicContact CG1-CB 3.8Å; P14-H17 PolarHBondContact O-N 3.47Å; H17-V19 PolarHBondContact O-N 2.9Å; H17-V19 VanDerWaalsContact O-N 3.15Å; H17-M76 HydrophobicContact CB-SD 4.23Å | ||
| 18 | H | 39.3 | Very low | 40 | Very low | 133 Ų | 133 | 86.6 Ų | 86.6 | 62% | 0.616 | 44% | 0.435 | S | S | * | . | trans | -61.5 | 113.8 | 167.5 | -67 | -70.8 | 0 | 0 | 0 | 108.6 | ||||
| 19 | V | 39.2 | Very low | 39.6 | Very low | 6 Ų | 6 | 90 Ų | 90 | 4% | 0.036 | 46% | 0.455 | C | S | . | . | trans | -93.4 | 110.1 | 174.3 | -172.3 | 0 | 0 | 0 | 0 | 108.2 | M10 V13 H17 V21 L74 | M10-V19 HydrophobicContact SD-CB 3.99Å; M10-V19 HydrophobicContact SD-CG1 3.7Å; M10-V19 HydrophobicContact SD-CG2 4.14Å; V13-V19 HydrophobicContact CB-CG2 4.04Å; V13-V19 HydrophobicContact CG1-CG2 3.61Å; V13-V19 HydrophobicContact CG2-CG2 3.88Å; H17-V19 PolarHBondContact O-N 2.9Å; H17-V19 VanDerWaalsContact O-N 3.15Å; V19-V21 HydrophobicContact CG1-CG2 3.91Å; V19-V21 PolarHBondContact O-N 3.5Å; V19-L74 HydrophobicContact CG1-CD1 4.19Å; V19-L74 HydrophobicContact CG1-CG 4.31Å | ||
| 20 | H | 39 | Very low | 38.9 | Very low | 68 Ų | 68 | 90.7 Ų | 90.7 | 32% | 0.315 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 111.1 | 165.3 | -61.9 | -79.2 | 0 | 0 | 0 | 108.2 | T37 L75 | H20-T37 VanDerWaalsContact CE1-CG2 3.42Å; H20-T37 WeakPolarHBondContact CE1-CG2 3.21Å; H20-T37 VanDerWaalsContact ND1-CG2 3.29Å; H20-T37 WeakPolarHBondContact ND1-CG2 3.29Å; H20-L75 HydrophobicContact CB-CB 4.34Å |
| 21 | V | 42.3 | Very low | 38.5 | Very low | 28 Ų | 28 | 92.1 Ų | 92.1 | 17% | 0.17 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 104.1 | 171.1 | -176.3 | 0 | 0 | 0 | 0 | 107.3 | M10 V19 R36 V38 | M10-V21 HydrophobicContact SD-CG2 4.29Å; V19-V21 HydrophobicContact CG1-CG2 3.91Å; V19-V21 PolarHBondContact O-N 3.5Å; V21-R36 PolarHBondContact N-O 3.36Å; V21-R36 PolarHBondContact O-N 3.47Å; V21-V38 HydrophobicContact CG2-CG2 4.47Å |
| 22 | A | 39.3 | Very low | 38 | Very low | 8 Ų | 8 | 88.7 Ų | 88.7 | 7% | 0.066 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 118.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | I35 Q73 | A22-I35 HydrophobicContact CB-CG1 4.19Å; A22-Q73 HydrophobicContact CB-CB 4.26Å |
| 23 | L | 42.2 | Very low | 37.5 | Very low | 67 Ų | 67 | 81 Ų | 81 | 35% | 0.351 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 108.9 | 172.4 | -139.7 | 114.8 | 0 | 0 | 0 | 107.6 | V25 M34 | L23-V25 HydrophobicContact CD2-CG2 3.77Å; L23-M34 PolarHBondContact N-O 3.41Å; L23-M34 PolarHBondContact O-N 2.95Å |
| 24 | L | 38.2 | Very low | 37.2 | Very low | 40 Ų | 40 | 85 Ų | 85 | 21% | 0.209 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 123.9 | 167.8 | -133 | 92.7 | 0 | 0 | 0 | 108.4 | A31 A33 L71 | L24-A31 HydrophobicContact CD2-CB 3.84Å; L24-A31 HydrophobicContact CG-CB 4.37Å; L24-A33 HydrophobicContact CD1-CB 3.99Å; L24-L71 HydrophobicContact CB-CB 3.81Å; L24-L71 HydrophobicContact CD2-CB 4.36Å; L24-L71 HydrophobicContact CG-CB 4.48Å |
| 25 | V | 37.2 | Very low | 37 | Very low | 60 Ų | 60 | 87 Ų | 87 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116.1 | 171.3 | -178.4 | 0 | 0 | 0 | 0 | 107.9 | L23 V32 | L23-V25 HydrophobicContact CD2-CG2 3.77Å; V25-V32 PolarHBondContact N-O 3.28Å; V25-V32 PolarHBondContact O-N 2.91Å |
| 26 | C | 34.5 | Very low | 36.7 | Very low | 35 Ų | 35 | 87.1 Ų | 87.1 | 24% | 0.236 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 131.6 | 175.5 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | T30 | C26-T30 CarbonylContact C-O 3.56Å; C26-T30 WeakPolarHBondContact CA-O 3.46Å |
| 27 | R | 31.4 | Very low | 36.7 | Very low | 192 Ų | 192 | 82.8 Ų | 82.8 | 73% | 0.725 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 99.8 | 166.7 | -83.4 | -175.2 | 159 | 173.8 | -5.1 | 108 | D29 T30 | R27-D29 PolarHBondContact O-N 2.9Å; R27-T30 PolarHBondContact N-O 3.23Å; R27-T30 PolarHBondContact O-N 3.48Å; R27-T30 PolarHBondContact O-OG1 3.4Å |
| 28 | G | 38.5 | Very low | 36.9 | Very low | 75 Ų | 75 | 80.9 Ų | 80.9 | 77% | 0.773 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | -130.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T30 | G28-T30 PolarHBondContact O-N 3.35Š|
| 29 | D | 32.4 | Very low | 36.8 | Very low | 179 Ų | 179 | 81.5 Ų | 81.5 | 96% | 0.957 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -5.3 | 176.2 | -63.9 | -30.6 | 0 | 0 | 0 | 114 | R27 | R27-D29 PolarHBondContact O-N 2.9Š|
| 30 | T | 27.2 | Very low | 36.5 | Very low | 86 Ų | 86 | 86.3 Ų | 86.3 | 53% | 0.528 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 116.9 | -178.8 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | C26 R27 G28 | C26-T30 CarbonylContact C-O 3.56Å; C26-T30 WeakPolarHBondContact CA-O 3.46Å; R27-T30 PolarHBondContact N-O 3.23Å; R27-T30 PolarHBondContact O-N 3.48Å; R27-T30 PolarHBondContact O-OG1 3.4Å; G28-T30 PolarHBondContact O-N 3.35Å |
| 31 | A | 32.6 | Very low | 36.2 | Very low | 64 Ų | 64 | 87.6 Ų | 87.6 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 115.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | L24 | L24-A31 HydrophobicContact CD2-CB 3.84Å; L24-A31 HydrophobicContact CG-CB 4.37Å |
| 32 | V | 31.9 | Very low | 35.6 | Very low | 73 Ų | 73 | 95 Ų | 95 | 44% | 0.442 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 110.7 | 171.5 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | V25 M34 | V25-V32 PolarHBondContact N-O 3.28Å; V25-V32 PolarHBondContact O-N 2.91Å; V32-M34 PolarHBondContact O-N 2.89Å |
| 33 | A | 34.6 | Very low | 35.3 | Very low | 61 Ų | 61 | 99.1 Ų | 99.1 | 50% | 0.504 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 106.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109 | L24 | L24-A33 HydrophobicContact CD1-CB 3.99Å |
| 34 | M | 36 | Very low | 34.8 | Very low | 107 Ų | 107 | 99.9 Ų | 99.9 | 53% | 0.527 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 102.1 | 164.3 | -89.4 | -167.5 | 172.4 | 0 | 0 | 108.5 | L23 V32 | L23-M34 PolarHBondContact N-O 3.41Å; L23-M34 PolarHBondContact O-N 2.95Å; V32-M34 PolarHBondContact O-N 2.89Å |
| 35 | I | 38 | Very low | 34.4 | Very low | 111 Ų | 111 | 105.4 Ų | 105.4 | 57% | 0.569 | 56% | 0.563 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 111.2 | 167.9 | -57.5 | 173.8 | 0 | 0 | 0 | 106.6 | A22 | A22-I35 HydrophobicContact CB-CG1 4.19Å |
| 36 | R | 38.7 | Very low | 34 | Very low | 177 Ų | 177 | 106.5 Ų | 106.5 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 121.1 | 166.6 | -76.5 | -169.1 | 176 | -169.9 | -1.5 | 108.6 | V21 V38 | V21-R36 PolarHBondContact N-O 3.36Å; V21-R36 PolarHBondContact O-N 3.47Å; R36-V38 PolarHBondContact O-N 3.33Å |
| 37 | T | 39.3 | Very low | 33.9 | Very low | 80 Ų | 80 | 110.7 Ų | 110.7 | 49% | 0.491 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.5 | 114.4 | 161.6 | 30.7 | 0 | 0 | 0 | 0 | 107.8 | H20 E39 | H20-T37 VanDerWaalsContact CE1-CG2 3.42Å; H20-T37 WeakPolarHBondContact CE1-CG2 3.21Å; H20-T37 VanDerWaalsContact ND1-CG2 3.29Å; H20-T37 WeakPolarHBondContact ND1-CG2 3.29Å; T37-E39 PolarHBondContact O-N 2.95Å |
| 38 | V | 42.5 | Very low | 33.9 | Very low | 48 Ų | 48 | 105.7 Ų | 105.7 | 29% | 0.291 | 58% | 0.576 | S | S | . | * | trans | -88.9 | 92.8 | 168.1 | -176.3 | 0 | 0 | 0 | 0 | 105.6 | V21 R36 D40 | V21-V38 HydrophobicContact CG2-CG2 4.47Å; R36-V38 PolarHBondContact O-N 3.33Å; V38-D40 VanDerWaalsContact C-N 3.29Å | ||
| 39 | E | 37.4 | Very low | 33.6 | Very low | 146 Ų | 146 | 109.5 Ų | 109.5 | 68% | 0.682 | 57% | 0.574 | S | S | * | * | trans | -76.8 | -13.9 | -177.4 | -76.5 | -174.1 | 166.4 | 0 | 0 | 113.6 | T37 | T37-E39 PolarHBondContact O-N 2.95Š| ||
| 40 | D | 33.4 | Very low | 33.7 | Very low | 107 Ų | 107 | 107.4 Ų | 107.4 | 57% | 0.572 | 56% | 0.559 | S | S | * | * | trans | -132.7 | 112.3 | 177.6 | -83 | -28 | 0 | 0 | 0 | 111.1 | V38 R42 | V38-D40 VanDerWaalsContact C-N 3.29Å; D40-R42 PolarHBondContact O-N 3.4Å; D40-R42 IonicContact OD2-NH2 3.63Å | ||
| 41 | L | 32.7 | Very low | 34.2 | Very low | 96 Ų | 96 | 109.8 Ų | 109.8 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | trans | -71.7 | 63.8 | 162.4 | -76.4 | 162.3 | 0 | 0 | 0 | 109.5 | M10 | M10-L41 HydrophobicContact CE-CD2 3.93Š| ||
| 42 | R | 29.7 | Very low | 34.2 | Very low | 184 Ų | 184 | 113.5 Ų | 113.5 | 69% | 0.694 | 57% | 0.565 | S | S | * | * | trans | -76.2 | 145.8 | 153.8 | -86.6 | -177.1 | -88.1 | -177.4 | -7.1 | 107.7 | D40 L44 | D40-R42 PolarHBondContact O-N 3.4Å; D40-R42 IonicContact OD2-NH2 3.63Å; R42-L44 PolarHBondContact O-N 2.89Å; R42-L44 VanDerWaalsContact O-N 3.09Å | ||
| 43 | P | 32.8 | Very low | 34.4 | Very low | 94 Ų | 94 | 118.2 Ų | 118.2 | 61% | 0.61 | 58% | 0.579 | S | S | * | * | trans | -52.3 | 125 | 177.4 | -16.7 | 27.1 | 0 | 0 | 0 | 108 | Q45 P46 | P43-Q45 PolarHBondContact O-N 3.47Å; P43-P46 WeakPolarHBondContact O-CD 3.43Å | ||
| 44 | L | 31.5 | Very low | 34.5 | Very low | 82 Ų | 82 | 119.5 Ų | 119.5 | 43% | 0.429 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -66.8 | 19.3 | 178.5 | -73.9 | 167.8 | 0 | 0 | 0 | 113 | M10 R42 P46 F47 | M10-L44 HydrophobicContact CE-CD1 4.17Å; R42-L44 PolarHBondContact O-N 2.89Å; R42-L44 VanDerWaalsContact O-N 3.09Å; L44-P46 VanDerWaalsContact C-CD 3.43Å; L44-F47 HydrophobicContact CD2-CB 4.29Å; L44-F47 HydrophobicContact CD2-CD2 3.47Å; L44-F47 VanDerWaalsContact CD2-CD2 3.47Å; L44-F47 HydrophobicContact CD2-CE2 4.04Å; L44-F47 HydrophobicContact CD2-CG 4.04Å; L44-F47 PolarHBondContact O-N 3.06Å |
| 45 | Q | 30.1 | Very low | 34.5 | Very low | 156 Ų | 156 | 117.8 Ų | 117.8 | 73% | 0.729 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -32.7 | 176 | -83.7 | -175.6 | -40.8 | 0 | 0 | 114.3 | P43 F47 | P43-Q45 PolarHBondContact O-N 3.47Å; Q45-F47 VanDerWaalsContact C-N 3.34Å; Q45-F47 PolarHBondContact O-N 3.2Å |
| 46 | P | 29.7 | Very low | 34.3 | Very low | 84 Ų | 84 | 119.5 Ų | 119.5 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -83.5 | -5.4 | 175.4 | 23.4 | -15.9 | 0 | 0 | 0 | 113.9 | P43 L44 V48 | P43-P46 WeakPolarHBondContact O-CD 3.43Å; L44-P46 VanDerWaalsContact C-CD 3.43Å; P46-V48 VanDerWaalsContact C-N 3.35Å |
| 47 | F | 30.9 | Very low | 34 | Very low | 123 Ų | 123 | 116.1 Ų | 116.1 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -84.1 | -9.8 | 176.9 | -87.5 | -81.7 | 0 | 0 | 0 | 114 | L44 Q45 | L44-F47 HydrophobicContact CD2-CB 4.29Å; L44-F47 HydrophobicContact CD2-CD2 3.47Å; L44-F47 VanDerWaalsContact CD2-CD2 3.47Å; L44-F47 HydrophobicContact CD2-CE2 4.04Å; L44-F47 HydrophobicContact CD2-CG 4.04Å; L44-F47 PolarHBondContact O-N 3.06Å; Q45-F47 VanDerWaalsContact C-N 3.34Å; Q45-F47 PolarHBondContact O-N 3.2Å |
| 48 | V | 32.3 | Very low | 33.6 | Very low | 86 Ų | 86 | 120.7 Ų | 120.7 | 52% | 0.521 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -87.9 | -38.2 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | P46 R51 | P46-V48 VanDerWaalsContact C-N 3.35Å; V48-R51 PolarHBondContact O-N 3.03Å |
| 49 | E | 31.4 | Very low | 33.1 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 73% | 0.729 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -78.2 | -30.9 | -179.2 | -70 | 179.4 | 163.7 | 0 | 0 | 113.2 | R51 | E49-R51 PolarHBondContact O-N 2.97Å |
| 50 | E | 34.9 | Very low | 32.7 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 63% | 0.631 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -79.1 | -9.8 | 175.8 | -146.6 | 175.4 | -155 | 0 | 0 | 112.9 | N54 | E50-N54 PolarHBondContact O-ND2 3.37Å |
| 51 | R | 37 | Very low | 32.4 | Very low | 136 Ų | 136 | 123.7 Ų | 123.7 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -92.2 | -22.8 | 177.1 | -98.7 | -167.1 | 172.8 | -162.9 | 0 | 114.2 | V48 E49 K53 N54 T55 | V48-R51 PolarHBondContact O-N 3.03Å; E49-R51 PolarHBondContact O-N 2.97Å; R51-K53 PolarHBondContact O-N 3.3Å; R51-N54 PolarHBondContact O-N 3Å; R51-T55 WeakPolarHBondContact O-CB 3.38Å; R51-T55 WeakPolarHBondContact O-CG2 3.36Å; R51-T55 PolarHBondContact O-N 2.94Å; R51-T55 PolarHBondContact O-OG1 3.42Å |
| 52 | E | 34.5 | Very low | 32.1 | Very low | 142 Ų | 142 | 123.8 Ų | 123.8 | 66% | 0.664 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.5 | -35.1 | 172.1 | -73.8 | -170.5 | 154.8 | 0 | 0 | 110.9 | T55 | E52-T55 WeakPolarHBondContact CA-OG1 3.34Å; E52-T55 PolarHBondContact O-OG1 3.29Å |
| 53 | K | 35.1 | Very low | 32 | Very low | 172 Ų | 172 | 121 Ų | 121 | 75% | 0.748 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -74.3 | -29.3 | 176.5 | -150.8 | 171.3 | -175.1 | 178.3 | 0 | 114.1 | R51 | R51-K53 PolarHBondContact O-N 3.3Å |
| 54 | N | 36.8 | Very low | 31.8 | Very low | 88 Ų | 88 | 122.1 Ų | 122.1 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -95.1 | -10.6 | 179.5 | -83.7 | -46 | 0 | 0 | 0 | 114.2 | E50 R51 F58 | E50-N54 PolarHBondContact O-ND2 3.37Å; R51-N54 PolarHBondContact O-N 3Å; N54-F58 PolarHBondContact O-N 3.44Å |
| 55 | T | 35.3 | Very low | 31.7 | Very low | 71 Ų | 71 | 125 Ų | 125 | 44% | 0.436 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -82.8 | -22.9 | 176.6 | 35.3 | 0 | 0 | 0 | 0 | 112.6 | R51 E52 R59 | R51-T55 WeakPolarHBondContact O-CB 3.38Å; R51-T55 WeakPolarHBondContact O-CG2 3.36Å; R51-T55 PolarHBondContact O-N 2.94Å; R51-T55 PolarHBondContact O-OG1 3.42Å; E52-T55 WeakPolarHBondContact CA-OG1 3.34Å; E52-T55 PolarHBondContact O-OG1 3.29Å; T55-R59 PolarHBondContact O-N 3.47Å |
| 56 | E | 35.1 | Very low | 31.6 | Very low | 146 Ų | 146 | 122 Ų | 122 | 68% | 0.682 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.3 | -40.9 | 166.8 | -67.7 | -167.5 | 152.1 | 0 | 0 | 111.3 | F58 R59 A60 | E56-F58 VanDerWaalsContact C-N 3.33Å; E56-F58 PolarHBondContact O-N 3.03Å; E56-R59 PolarHBondContact O-N 3.25Å; E56-A60 WeakPolarHBondContact O-CB 3.46Å; E56-A60 PolarHBondContact O-N 3Å |
| 57 | D | 31.8 | Very low | 31.7 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 57% | 0.572 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.5 | -33.9 | 175.2 | -72.1 | -22.6 | 0 | 0 | 0 | 112.8 | A61 | D57-A61 PolarHBondContact O-N 2.95Å |
| 58 | F | 30.8 | Very low | 31.8 | Very low | 175 Ų | 175 | 124.5 Ų | 124.5 | 77% | 0.768 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.6 | -26.5 | 174.6 | -103.9 | -88.4 | 0 | 0 | 0 | 113.7 | N54 E56 | N54-F58 PolarHBondContact O-N 3.44Å; E56-F58 VanDerWaalsContact C-N 3.33Å; E56-F58 PolarHBondContact O-N 3.03Å |
| 59 | R | 31 | Very low | 31.7 | Very low | 216 Ų | 216 | 124.1 Ų | 124.1 | 82% | 0.815 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78 | -29.9 | 171.6 | -87.3 | -176.4 | 178 | 176.6 | 1.5 | 112.3 | T55 E56 A61 | T55-R59 PolarHBondContact O-N 3.47Å; E56-R59 PolarHBondContact O-N 3.25Å; R59-A61 VanDerWaalsContact C-N 3.35Å |
| 60 | A | 30.4 | Very low | 31.8 | Very low | 79 Ų | 79 | 118.8 Ų | 118.8 | 65% | 0.653 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.3 | -23.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E56 S62 | E56-A60 WeakPolarHBondContact O-CB 3.46Å; E56-A60 PolarHBondContact O-N 3Å; A60-S62 PolarHBondContact O-N 3.28Å |
| 61 | A | 27.5 | Very low | 31.7 | Very low | 70 Ų | 70 | 115.7 Ų | 115.7 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 37.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D57 R59 I63 | D57-A61 PolarHBondContact O-N 2.95Å; R59-A61 VanDerWaalsContact C-N 3.35Å; A61-I63 PolarHBondContact O-N 3.42Å |
| 62 | S | 26.5 | Very low | 31.5 | Very low | 97 Ų | 97 | 111.1 Ų | 111.1 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | trans | -56.3 | 89.3 | -173.6 | 46.8 | 0 | 0 | 0 | 0 | 113.7 | A60 | A60-S62 PolarHBondContact O-N 3.28Š| ||
| 63 | I | 26.8 | Very low | 31.5 | Very low | 127 Ų | 127 | 108.4 Ų | 108.4 | 65% | 0.651 | 59% | 0.585 | S | S | * | * | trans | -88.7 | 121 | 159.6 | -59 | 174 | 0 | 0 | 0 | 106.8 | A61 D65 V66 | A61-I63 PolarHBondContact O-N 3.42Å; I63-D65 PolarHBondContact O-N 3.13Å; I63-V66 HydrophobicContact CB-CG2 4.42Å | ||
| 64 | P | 27.9 | Very low | 31.4 | Very low | 117 Ų | 117 | 101.6 Ų | 101.6 | 76% | 0.76 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 6.6 | -165.1 | 23.9 | -31.8 | 0 | 0 | 0 | 117.3 | ||
| 65 | D | 30.9 | Very low | 31.2 | Very low | 142 Ų | 142 | 101.2 Ų | 101.2 | 76% | 0.759 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | 15.8 | -168.8 | -70.4 | -46.1 | 0 | 0 | 0 | 115.8 | I63 H67 | I63-D65 PolarHBondContact O-N 3.13Å; D65-H67 PolarHBondContact O-N 3.33Å |
| 66 | V | 27.6 | Very low | 30.9 | Very low | 93 Ų | 93 | 100.8 Ų | 100.8 | 56% | 0.564 | 55% | 0.548 | S | S | * | . | trans | -93 | 94.8 | -175.2 | -170.2 | 0 | 0 | 0 | 0 | 111.6 | I63 P68 | I63-V66 HydrophobicContact CB-CG2 4.42Å; V66-P68 WeakPolarHBondContact O-CD 3.39Å | ||
| 67 | H | 31.1 | Very low | 30.5 | Very low | 162 Ų | 162 | 96.8 Ų | 96.8 | 75% | 0.75 | 55% | 0.546 | S | S | * | . | trans | -81.4 | 118.7 | 166 | -96.6 | -75.2 | 0 | 0 | 0 | 110.9 | D65 V69 | D65-H67 PolarHBondContact O-N 3.33Å; H67-V69 PolarHBondContact O-N 3.46Å | ||
| 68 | P | 32.2 | Very low | 30.4 | Very low | 98 Ų | 98 | 101 Ų | 101 | 64% | 0.636 | 56% | 0.562 | S | S | * | * | trans | -74.7 | 98.6 | 175.8 | 28.9 | -32.3 | 0 | 0 | 0 | 110.5 | V66 | V66-P68 WeakPolarHBondContact O-CD 3.39Š| ||
| 69 | V | 31.9 | Very low | 30.4 | Very low | 77 Ų | 77 | 99.8 Ų | 99.8 | 47% | 0.467 | 56% | 0.558 | S | S | . | * | trans | -86.5 | 113 | 164.1 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | H67 | H67-V69 PolarHBondContact O-N 3.46Š| ||
| 70 | V | 32.6 | Very low | 30.4 | Very low | 44 Ų | 44 | 100 Ų | 100 | 27% | 0.267 | 56% | 0.559 | S | S | . | * | trans | -105.2 | 113.5 | 173.9 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | V2 | V2-V70 HydrophobicContact CB-CB 4.38Å; V2-V70 HydrophobicContact CB-CG2 4.08Å; V2-V70 HydrophobicContact CG1-CB 3.59Å; V2-V70 HydrophobicContact CG1-CG1 3.81Å; V2-V70 HydrophobicContact CG1-CG2 3.19Å; V2-V70 HydrophobicContact CG2-CB 4.01Å; V2-V70 HydrophobicContact CG2-CG2 3.71Å | ||
| 71 | L | 32.7 | Very low | 30.4 | Very low | 71 Ų | 71 | 101 Ų | 101 | 37% | 0.372 | 55% | 0.553 | S | S | . | * | trans | -92.2 | 104.7 | 164.3 | -128.3 | 102.4 | 0 | 0 | 0 | 107.3 | L24 Q73 | L24-L71 HydrophobicContact CB-CB 3.81Å; L24-L71 HydrophobicContact CD2-CB 4.36Å; L24-L71 HydrophobicContact CG-CB 4.48Å; L71-Q73 HydrophobicContact CD2-CG 4.42Å; L71-Q73 PolarHBondContact O-N 3.41Å | ||
| 72 | C | 33.2 | Very low | 30.5 | Very low | 39 Ų | 39 | 102.5 Ų | 102.5 | 26% | 0.264 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 104.9 | 167 | -72.5 | 0 | 0 | 0 | 0 | 108.5 | M9 | M9-C72 HydrophobicContact SD-CB 4.19Å |
| 73 | Q | 35.4 | Very low | 30.6 | Very low | 85 Ų | 85 | 102.4 Ų | 102.4 | 40% | 0.397 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.8 | 108.4 | 163 | -83.5 | 175.2 | -1.6 | 0 | 0 | 108.3 | A22 L71 L75 | A22-Q73 HydrophobicContact CB-CB 4.26Å; L71-Q73 HydrophobicContact CD2-CG 4.42Å; L71-Q73 PolarHBondContact O-N 3.41Å; Q73-L75 PolarHBondContact O-N 3.23Å |
| 74 | L | 32.7 | Very low | 30.7 | Very low | 30 Ų | 30 | 104.8 Ų | 104.8 | 16% | 0.157 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.9 | 102.4 | 166.4 | -127.1 | 83.2 | 0 | 0 | 0 | 107.6 | M9 V13 V19 M76 | M9-L74 HydrophobicContact CB-CD1 4.05Å; M9-L74 HydrophobicContact CE-CB 3.94Å; M9-L74 HydrophobicContact CE-CD1 3.66Å; M9-L74 HydrophobicContact CE-CD2 4.16Å; M9-L74 HydrophobicContact CE-CG 4.12Å; M9-L74 HydrophobicContact SD-CD1 4.15Å; V13-L74 HydrophobicContact CG2-CD2 4.13Å; V19-L74 HydrophobicContact CG1-CD1 4.19Å; V19-L74 HydrophobicContact CG1-CG 4.31Å; L74-M76 HydrophobicContact CD2-CG 3.94Å; L74-M76 PolarHBondContact O-N 2.7Å |
| 75 | L | 31.3 | Very low | 30.8 | Very low | 79 Ų | 79 | 103.2 Ų | 103.2 | 41% | 0.414 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 82.9 | 166.9 | -77.3 | 164.1 | 0 | 0 | 0 | 107.9 | H20 Q73 | H20-L75 HydrophobicContact CB-CB 4.34Å; Q73-L75 PolarHBondContact O-N 3.23Å |
| 76 | M | 29.7 | Very low | 30.7 | Very low | 63 Ų | 63 | 103.1 Ų | 103.1 | 31% | 0.31 | 56% | 0.557 | S | S | . | * | trans | -77.7 | 137.1 | 160.8 | -68.8 | -87.8 | -69.7 | 0 | 0 | 107.3 | V13 H17 L74 H78 H79 | V13-M76 HydrophobicContact CG1-CE 4.34Å; V13-M76 HydrophobicContact CG1-SD 3.83Å; V13-M76 HydrophobicContact CG2-SD 4.38Å; H17-M76 HydrophobicContact CB-SD 4.23Å; L74-M76 HydrophobicContact CD2-CG 3.94Å; L74-M76 PolarHBondContact O-N 2.7Å; M76-H78 PolarHBondContact O-N 3.2Å; M76-H79 PolarHBondContact O-N 2.98Å | ||
| 77 | G | 26.9 | Very low | 30.6 | Very low | 62 Ų | 62 | 107.7 Ų | 107.7 | 64% | 0.639 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -33.4 | 132.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | H79 | G77-H79 VanDerWaalsContact C-N 3.29Å; G77-H79 PolarHBondContact O-N 3.32Å; G77-H79 VanDerWaalsContact O-N 3.1Å |
| 78 | H | 29.6 | Very low | 30.4 | Very low | 196 Ų | 196 | 107 Ų | 107 | 91% | 0.907 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.9 | 2.2 | 169.3 | -56.2 | 97.4 | 0 | 0 | 0 | 119 | M76 | M76-H78 PolarHBondContact O-N 3.2Š|
| 79 | H | 29.9 | Very low | 30.1 | Very low | 148 Ų | 148 | 113.7 Ų | 113.7 | 69% | 0.685 | 58% | 0.581 | S | S | * | * | trans | -123 | 109.1 | 177.8 | -68.3 | -63.3 | 0 | 0 | 0 | 113.5 | M76 G77 I81 | M76-H79 PolarHBondContact O-N 2.98Å; G77-H79 VanDerWaalsContact C-N 3.29Å; G77-H79 PolarHBondContact O-N 3.32Å; G77-H79 VanDerWaalsContact O-N 3.1Å; H79-I81 PolarHBondContact O-N 3.15Å | ||
| 80 | R | 30.7 | Very low | 30 | Very low | 222 Ų | 222 | 117.4 Ų | 117.4 | 84% | 0.838 | 60% | 0.598 | S | S | * | * | trans | -71.3 | 110.1 | 168.4 | -79 | -179 | 170.2 | 172.1 | -2.6 | 109.4 | A82 | R80-A82 PolarHBondContact O-N 3.03Š| ||
| 81 | I | 31.8 | Very low | 29.6 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 51% | 0.513 | 62% | 0.618 | S | S | . | * | trans | -79.2 | 103.4 | 166.6 | -55.6 | 175.5 | 0 | 0 | 0 | 107.5 | H79 V83 | H79-I81 PolarHBondContact O-N 3.15Å; I81-V83 HydrophobicContact CG2-CG2 3.86Å; I81-V83 PolarHBondContact O-N 3.29Å | ||
| 82 | A | 28.7 | Very low | 29.3 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 83% | 0.826 | 64% | 0.639 | S | S | * | * | trans | -73.8 | 90.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | R80 K84 | R80-A82 PolarHBondContact O-N 3.03Å; A82-K84 PolarHBondContact O-N 3.1Å | ||
| 83 | V | 29.8 | Very low | 29 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 58% | 0.582 | 66% | 0.663 | S | S | * | * | trans | -75.3 | 109.9 | 167 | -176 | 0 | 0 | 0 | 0 | 107.2 | I81 A85 | I81-V83 HydrophobicContact CG2-CG2 3.86Å; I81-V83 PolarHBondContact O-N 3.29Å; V83-A85 PolarHBondContact O-N 3.02Å | ||
| 84 | K | 28.2 | Very low | 28.5 | Very low | 176 Ų | 176 | 130.2 Ų | 130.2 | 77% | 0.765 | 68% | 0.68 | S | S | * | * | trans | -63.6 | 107.4 | 171.8 | -159.7 | 174.3 | -172.7 | 177.6 | 0 | 107.5 | A82 H86 | A82-K84 PolarHBondContact O-N 3.1Å; K84-H86 PolarHBondContact O-N 3.4Å | ||
| 85 | A | 29.5 | Very low | 28.1 | Very low | 84 Ų | 84 | 134.6 Ų | 134.6 | 69% | 0.694 | 71% | 0.712 | S | S | * | * | trans | -62.7 | 103.9 | 173 | 0 | 0 | 0 | 0 | 0 | 108.4 | V83 H87 | V83-A85 PolarHBondContact O-N 3.02Å; A85-H87 PolarHBondContact O-N 3.43Å | ||
| 86 | H | 28.2 | Very low | 27.7 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 65% | 0.648 | 73% | 0.733 | S | S | * | * | trans | -75.1 | 107.1 | 161.4 | -83.4 | -81.8 | 0 | 0 | 0 | 106.9 | K84 H88 | K84-H86 PolarHBondContact O-N 3.4Å; H86-H88 PolarHBondContact O-N 3.44Å | ||
| 87 | H | 26.8 | Very low | 27.5 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 88% | 0.88 | 76% | 0.762 | S | S | * | * | trans | -63.3 | 86.1 | 160.6 | -86.8 | -73.2 | 0 | 0 | 0 | 108 | A85 R89 | A85-H87 PolarHBondContact O-N 3.43Å; H87-R89 PolarHBondContact O-N 3.25Å | ||
| 88 | H | 27.4 | Very low | 27.4 | Very low | 146 Ų | 146 | 148 Ų | 148 | 68% | 0.676 | 76% | 0.764 | S | S | * | * | trans | -80.8 | 112.2 | 159 | -76.7 | -68.6 | 0 | 0 | 0 | 107 | H86 L90 | H86-H88 PolarHBondContact O-N 3.44Å; H88-L90 VanDerWaalsContact C-N 3.28Å; H88-L90 PolarHBondContact O-N 3.22Å | ||
| 89 | R | 25.4 | Very low | 27.1 | Very low | 239 Ų | 239 | 144.1 Ų | 144.1 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | trans | -60.4 | 97.3 | 161.7 | -164.7 | -179 | -171.7 | 178.5 | 1.3 | 105.8 | H87 E91 | H87-R89 PolarHBondContact O-N 3.25Å; R89-E91 PolarHBondContact O-N 3.28Å; R89-E91 VanDerWaalsContact O-N 3.13Å | ||
| 90 | L | 29.9 | Very low | 27 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | trans | -73.6 | 101.1 | 176.2 | -76.1 | 165.4 | 0 | 0 | 0 | 106.9 | H88 | H88-L90 VanDerWaalsContact C-N 3.28Å; H88-L90 PolarHBondContact O-N 3.22Å | ||
| 91 | E | 24.8 | Very low | 26.8 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | trans | -61.4 | 148.5 | 160.4 | -70.3 | -149.9 | 156.3 | 0 | 0 | 109.4 | R89 C93 | R89-E91 PolarHBondContact O-N 3.28Å; R89-E91 VanDerWaalsContact O-N 3.13Å; E91-C93 PolarHBondContact O-N 3.29Å; E91-C93 PolarHBondContact O-SG 3.37Å | ||
| 92 | P | 25.5 | Very low | 26.8 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -69.7 | 94.3 | -177.7 | 29.9 | -34.2 | 0 | 0 | 0 | 109 | T94 | P92-T94 PolarHBondContact O-N 3.31Å; P92-T94 VanDerWaalsContact O-N 3.11Å | ||
| 93 | C | 27.1 | Very low | 26.8 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -78 | 100.8 | 178.3 | -64.6 | 0 | 0 | 0 | 0 | 109.5 | E91 S95 | E91-C93 PolarHBondContact O-N 3.29Å; E91-C93 PolarHBondContact O-SG 3.37Å; C93-S95 PolarHBondContact O-N 3.45Å | ||
| 94 | T | 25 | Very low | 27 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -42.1 | 131.5 | 160 | 50.2 | 0 | 0 | 0 | 0 | 110.9 | P92 R96 | P92-T94 PolarHBondContact O-N 3.31Å; P92-T94 VanDerWaalsContact O-N 3.11Å; T94-R96 PolarHBondContact O-N 3.41Å | ||
| 95 | S | 24 | Very low | 27.6 | Very low | 121 Ų | 121 | 137 Ų | 137 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -21.7 | 98 | 173.5 | 57 | 0 | 0 | 0 | 0 | 115.5 | C93 | C93-S95 PolarHBondContact O-N 3.45Š|
| 96 | R | 23.7 | Very low | 27.7 | Very low | 227 Ų | 227 | 139.1 Ų | 139.1 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | -151.8 | 104.7 | 157.5 | -140.3 | 173.6 | 178.2 | -177.8 | -1.1 | 110 | T94 V98 | T94-R96 PolarHBondContact O-N 3.41Å; R96-V98 PolarHBondContact O-N 2.96Å | ||
| 97 | T | 24.8 | Very low | 28 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | -62.4 | 113.1 | 174.2 | -25.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 98 | V | 23.8 | Very low | 28.6 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | trans | -118.6 | 124.9 | 171.8 | -174.8 | 0 | 0 | 0 | 0 | 107.8 | R96 V100 | R96-V98 PolarHBondContact O-N 2.96Å; V98-V100 PolarHBondContact O-N 3.05Å | ||
| 99 | P | 23.9 | Very low | 29.1 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | trans | -72 | 126.5 | 176.5 | 29.2 | -30.9 | 0 | 0 | 0 | 109.5 | S101 | P99-S101 PolarHBondContact O-N 3.36Š| ||
| 100 | V | 28.9 | Very low | 29.8 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | trans | -81 | 94 | 174.1 | 180 | 0 | 0 | 0 | 0 | 108.5 | V98 G102 | V98-V100 PolarHBondContact O-N 3.05Å; V100-G102 PolarHBondContact O-N 3.41Å | ||
| 101 | S | 26.8 | Very low | 30.2 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -83.2 | 84.1 | 162 | 64 | 0 | 0 | 0 | 0 | 109.1 | P99 | P99-S101 PolarHBondContact O-N 3.36Š| ||
| 102 | G | 30 | Very low | 30.6 | Very low | 52 Ų | 52 | 127.6 Ų | 127.6 | 54% | 0.536 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -90.8 | 148.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V100 | V100-G102 PolarHBondContact O-N 3.41Š|
| 103 | P | 30.3 | Very low | 31.3 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 154.6 | -179.5 | 27.8 | -33.3 | 0 | 0 | 0 | 111.5 | V105 | P103-V105 PolarHBondContact O-N 3.48Š|
| 104 | P | 34.1 | Very low | 31.9 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 135.9 | -178.5 | 23 | -32 | 0 | 0 | 0 | 111.2 | E106 | P104-E106 PolarHBondContact O-N 2.93Š|
| 105 | V | 39.1 | Very low | 32.5 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 83% | 0.83 | 74% | 0.735 | S | S | * | * | trans | -72 | 108.5 | 176.9 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | P103 | P103-V105 PolarHBondContact O-N 3.48Š| ||
| 106 | E | 31.8 | Very low | 33 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 60% | 0.603 | 74% | 0.739 | S | S | * | * | trans | -60.7 | 138.7 | 173.4 | -79.1 | -82.9 | 140.8 | 0 | 0 | 111.4 | P104 | P104-E106 PolarHBondContact O-N 2.93Š| ||
| 107 | P | 36 | Very low | 33.5 | Very low | 81 Ų | 81 | 139 Ų | 139 | 53% | 0.526 | 74% | 0.738 | S | S | . | * | trans | -62.8 | 142.8 | 174.6 | -15 | 28.4 | 0 | 0 | 0 | 111.7 | S109 D110 | P107-S109 PolarHBondContact O-N 3.39Å; P107-D110 PolarHBondContact O-N 2.89Å | ||
| 108 | W | 39.2 | Very low | 34 | Very low | 212 Ų | 212 | 137.1 Ų | 137.1 | 80% | 0.803 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -62.6 | -5.5 | -177.5 | -85.2 | 42.3 | 0 | 0 | 0 | 115.5 | D110 L111 | W108-D110 PolarHBondContact O-N 3.22Å; W108-L111 HydrophobicContact CG-CD1 4.26Å |
| 109 | S | 36.8 | Very low | 34.5 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -64.2 | -24.5 | 172.9 | 38.4 | 0 | 0 | 0 | 0 | 113.2 | P107 | P107-S109 PolarHBondContact O-N 3.39Š|
| 110 | D | 39.6 | Very low | 35 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 58% | 0.583 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -95.2 | -0.9 | -177 | -68.7 | -55.5 | 0 | 0 | 0 | 114.4 | P107 W108 K112 | P107-D110 PolarHBondContact O-N 2.89Å; W108-D110 PolarHBondContact O-N 3.22Å; D110-K112 VanDerWaalsContact C-N 3.31Å; D110-K112 PolarHBondContact O-N 3.01Å |
| 111 | L | 38.3 | Very low | 35.3 | Very low | 98 Ų | 98 | 143.9 Ų | 143.9 | 51% | 0.513 | 74% | 0.74 | S | S | . | * | G | 310 helix | trans | -84.8 | 3.1 | 178.6 | -89.4 | 144.6 | 0 | 0 | 0 | 114.3 | W108 K113 | W108-L111 HydrophobicContact CG-CD1 4.26Å; L111-K113 PolarHBondContact O-N 3.36Å |
| 112 | K | 35.1 | Very low | 35.5 | Very low | 185 Ų | 185 | 150.1 Ų | 150.1 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 90.2 | 173.2 | -72.9 | -163.6 | 179.4 | -177.3 | 0 | 110.4 | D110 | D110-K112 VanDerWaalsContact C-N 3.31Å; D110-K112 PolarHBondContact O-N 3.01Å |
| 113 | K | 40 | Very low | 35.6 | Very low | 194 Ų | 194 | 150.8 Ų | 150.8 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143 | 33.4 | 159.4 | -79.8 | 170.3 | -177.4 | -176.9 | 0 | 112.9 | L111 D115 | L111-K113 PolarHBondContact O-N 3.36Å; K113-D115 PolarHBondContact O-N 2.91Å |
| 114 | H | 38.4 | Very low | 35.7 | Very low | 147 Ų | 147 | 153.1 Ų | 153.1 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | trans | -77.8 | 86.3 | 164.9 | -78.7 | -69 | 0 | 0 | 0 | 109.7 | Y116 | H114-Y116 PolarHBondContact O-N 3.17Š| ||
| 115 | D | 37.3 | Very low | 35.4 | Very low | 147 Ų | 147 | 156.7 Ų | 156.7 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -45.9 | 122.6 | 159.4 | -76.8 | -34.9 | 0 | 0 | 0 | 108.5 | K113 R117 | K113-D115 PolarHBondContact O-N 2.91Å; D115-R117 PolarHBondContact O-N 3.18Å | ||
| 116 | Y | 34.1 | Very low | 35 | Very low | 237 Ų | 237 | 157.4 Ų | 157.4 | 93% | 0.929 | 76% | 0.762 | S | S | * | * | trans | -63.6 | 79 | 172.8 | -91.6 | -95.1 | 0 | 0 | 0 | 109.2 | H114 P118 | H114-Y116 PolarHBondContact O-N 3.17Å; Y116-P118 WeakPolarHBondContact O-CD 3.4Å | ||
| 117 | R | 34.9 | Very low | 35 | Very low | 223 Ų | 223 | 156.6 Ų | 156.6 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -92.7 | 112.2 | 164.7 | -145.4 | 176.2 | -163.4 | -173.6 | 5.1 | 106.7 | D115 L119 | D115-R117 PolarHBondContact O-N 3.18Å; R117-L119 PolarHBondContact O-N 3Å | ||
| 118 | P | 34.8 | Very low | 34.7 | Very low | 109 Ų | 109 | 158.8 Ų | 158.8 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | trans | -60.1 | 108.5 | 174.3 | 22.6 | -29.8 | 0 | 0 | 0 | 108 | Y116 S120 | Y116-P118 WeakPolarHBondContact O-CD 3.4Å; P118-S120 VanDerWaalsContact C-N 3.33Å; P118-S120 PolarHBondContact O-N 3.18Å; P118-S120 PolarHBondContact O-OG 3Å | ||
| 119 | L | 36.1 | Very low | 34.3 | Very low | 163 Ų | 163 | 159 Ų | 159 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -60.3 | 100 | 173.2 | -79.6 | 165.9 | 0 | 0 | 0 | 107.7 | R117 R121 | R117-L119 PolarHBondContact O-N 3Å; L119-R121 PolarHBondContact O-N 3.3Å | ||
| 120 | S | 32.8 | Very low | 33.9 | Very low | 113 Ų | 113 | 161.7 Ų | 161.7 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -71.8 | 81.4 | 175.6 | -55.5 | 0 | 0 | 0 | 0 | 107.9 | P118 R122 | P118-S120 VanDerWaalsContact C-N 3.33Å; P118-S120 PolarHBondContact O-N 3.18Å; P118-S120 PolarHBondContact O-OG 3Å; S120-R122 PolarHBondContact O-N 3.37Å | ||
| 121 | R | 36.5 | Very low | 33.4 | Very low | 235 Ų | 235 | 159.5 Ų | 159.5 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | -77.8 | 110.6 | 168.7 | -83.7 | -172.8 | 162.3 | -168.9 | -4.6 | 108 | L119 | L119-R121 PolarHBondContact O-N 3.3Š| ||
| 122 | R | 30.7 | Very low | 33 | Very low | 254 Ų | 254 | 161.1 Ų | 161.1 | 96% | 0.958 | 82% | 0.818 | S | S | * | * | trans | -52.9 | 135.5 | 170.3 | -66.2 | -176.9 | -173.1 | -151.7 | 2.1 | 109.4 | S120 | S120-R122 PolarHBondContact O-N 3.37Š| ||
| 123 | G | 31.6 | Very low | 33 | Very low | 67 Ų | 67 | 158.3 Ų | 158.3 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | S | Bend | trans | 124.1 | 103.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 124 | N | 32.2 | Very low | 32.7 | Very low | 167 Ų | 167 | 157.8 Ų | 157.8 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | 76.1 | 98.5 | 166.1 | -62.6 | -3.3 | 0 | 0 | 0 | 117.6 | ||||
| 125 | Q | 28.6 | Very low | 32.7 | Very low | 193 Ų | 193 | 157.2 Ų | 157.2 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -57.8 | 125 | 168.8 | -64.2 | 165.8 | 4.7 | 0 | 0 | 111.4 | ||||
| 126 | I | 29.7 | Very low | 32.7 | Very low | 152 Ų | 152 | 153.8 Ų | 153.8 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -132.3 | 118.2 | 142.9 | -58.9 | 178.6 | 0 | 0 | 0 | 106.1 | C128 | I126-C128 PolarHBondContact O-N 3.49Š| ||
| 127 | P | 33.1 | Very low | 32.8 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -81.6 | 87.7 | -179.7 | 32.3 | -30.4 | 0 | 0 | 0 | 109.2 | R129 | P127-R129 PolarHBondContact O-N 3.19Š| ||
| 128 | C | 29.1 | Very low | 32.9 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -81 | 78.5 | 164.7 | -137.5 | 0 | 0 | 0 | 0 | 108.5 | I126 | I126-C128 PolarHBondContact O-N 3.49Š| ||
| 129 | R | 30.8 | Very low | 33 | Very low | 217 Ų | 217 | 142.9 Ų | 142.9 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | trans | -65.4 | 146.6 | 164.4 | -75.4 | -176.9 | 169.7 | 177.6 | -2.3 | 108.5 | P127 | P127-R129 PolarHBondContact O-N 3.19Š| ||
| 130 | V | 27.9 | Very low | 33 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 85.4 | 112.2 | 157.4 | -155.3 | 0 | 0 | 0 | 0 | 116.7 | ||
| 131 | G | 30.6 | Very low | 33.2 | Very low | 64 Ų | 64 | 138.4 Ų | 138.4 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | trans | 146.9 | -25.7 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | V133 | G131-V133 PolarHBondContact O-N 2.99Å; G131-V133 VanDerWaalsContact O-N 3.13Å | ||
| 132 | C | 28.6 | Very low | 33.3 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 89% | 0.885 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 55.1 | -161.3 | -50.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 133 | V | 35.2 | Very low | 33.6 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141 | -5.9 | 173.2 | -160.7 | 0 | 0 | 0 | 0 | 114.6 | G131 | G131-V133 PolarHBondContact O-N 2.99Å; G131-V133 VanDerWaalsContact O-N 3.13Å |
| 134 | K | 33.6 | Very low | 33.8 | Very low | 183 Ų | 183 | 123.2 Ų | 123.2 | 80% | 0.796 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -100.6 | -5.7 | -173 | -70.9 | -172.7 | 177.3 | -176.7 | 0 | 117 | ||
| 135 | N | 39.5 | Very low | 34.2 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -101 | -10.4 | -173.8 | -70 | -12.8 | 0 | 0 | 0 | 115.2 | Y139 | N135-Y139 PolarHBondContact O-N 3.27Å |
| 136 | A | 35.6 | Very low | 34.9 | Very low | 74 Ų | 74 | 118.5 Ų | 118.5 | 61% | 0.612 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -73.1 | -44.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y139 A140 | A136-Y139 PolarHBondContact O-N 3.05Å; A136-A140 PolarHBondContact O-N 3.32Å |
| 137 | D | 36.7 | Very low | 35.5 | Very low | 114 Ų | 114 | 117.7 Ų | 117.7 | 61% | 0.61 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -71.2 | -33.7 | -179.5 | -62.1 | -25.9 | 0 | 0 | 0 | 112.4 | Y139 A140 Q141 | D137-Y139 VanDerWaalsContact C-N 3.28Å; D137-Y139 PolarHBondContact O-N 3.45Å; D137-A140 PolarHBondContact O-N 2.65Å; D137-Q141 WeakPolarHBondContact O-CG 3.38Å; D137-Q141 PolarHBondContact O-N 2.77Å |
| 138 | A | 36.8 | Very low | 36.1 | Very low | 55 Ų | 55 | 118.6 Ų | 118.6 | 46% | 0.455 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -65.5 | -32.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S142 | A138-S142 WeakPolarHBondContact O-CB 3.49Å; A138-S142 PolarHBondContact O-N 2.93Å; A138-S142 PolarHBondContact O-OG 3.46Å |
| 139 | Y | 36.7 | Very low | 36.8 | Very low | 172 Ų | 172 | 119.6 Ų | 119.6 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -77.2 | -33.6 | 177.2 | -142.8 | -90.1 | 0 | 0 | 0 | 111.9 | N135 A136 D137 S142 A143 | N135-Y139 PolarHBondContact O-N 3.27Å; A136-Y139 PolarHBondContact O-N 3.05Å; D137-Y139 VanDerWaalsContact C-N 3.28Å; D137-Y139 PolarHBondContact O-N 3.45Å; Y139-S142 WeakPolarHBondContact CA-OG 3.42Å; Y139-S142 PolarHBondContact O-OG 3.32Å; Y139-A143 WeakPolarHBondContact O-CB 3.47Å; Y139-A143 PolarHBondContact O-N 2.82Å; Y139-A143 VanDerWaalsContact O-N 3.1Å |
| 140 | A | 36.4 | Very low | 37.2 | Very low | 58 Ų | 58 | 112.1 Ų | 112.1 | 48% | 0.479 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -67.1 | -47.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A136 D137 S142 A143 E144 | A136-A140 PolarHBondContact O-N 3.32Å; D137-A140 PolarHBondContact O-N 2.65Å; A140-S142 VanDerWaalsContact C-N 3.33Å; A140-S142 PolarHBondContact O-N 3.28Å; A140-A143 PolarHBondContact O-N 3.07Å; A140-E144 PolarHBondContact O-N 2.85Å |
| 141 | Q | 38.4 | Very low | 37.9 | Very low | 124 Ų | 124 | 112.2 Ų | 112.2 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.6 | -29.5 | 179.4 | -72.8 | -176.5 | 3.7 | 0 | 0 | 113.7 | D137 R145 | D137-Q141 WeakPolarHBondContact O-CG 3.38Å; D137-Q141 PolarHBondContact O-N 2.77Å; Q141-R145 WeakPolarHBondContact O-CB 3.42Å; Q141-R145 PolarHBondContact O-N 3.24Å; Q141-R145 VanDerWaalsContact O-N 3.15Å |
| 142 | S | 37.3 | Very low | 38.4 | Very low | 63 Ų | 63 | 116.7 Ų | 116.7 | 44% | 0.441 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -78.9 | -31.1 | 175.4 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | A138 Y139 A140 A146 | A138-S142 WeakPolarHBondContact O-CB 3.49Å; A138-S142 PolarHBondContact O-N 2.93Å; A138-S142 PolarHBondContact O-OG 3.46Å; Y139-S142 WeakPolarHBondContact CA-OG 3.42Å; Y139-S142 PolarHBondContact O-OG 3.32Å; A140-S142 VanDerWaalsContact C-N 3.33Å; A140-S142 PolarHBondContact O-N 3.28Å; S142-A146 VanDerWaalsContact O-CB 3.27Å; S142-A146 WeakPolarHBondContact O-CB 3.35Å; S142-A146 PolarHBondContact O-N 2.88Å |
| 143 | A | 37.7 | Very low | 38.9 | Very low | 46 Ų | 46 | 121 Ų | 121 | 38% | 0.38 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -68 | -39.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y139 A140 A146 Q147 | Y139-A143 WeakPolarHBondContact O-CB 3.47Å; Y139-A143 PolarHBondContact O-N 2.82Å; Y139-A143 VanDerWaalsContact O-N 3.1Å; A140-A143 PolarHBondContact O-N 3.07Å; A143-A146 PolarHBondContact O-N 3.05Å; A143-Q147 WeakPolarHBondContact O-CG 3.49Å; A143-Q147 PolarHBondContact O-N 2.83Å |
| 144 | E | 35.5 | Very low | 38.9 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 59% | 0.593 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.1 | -44.7 | 175 | -117.6 | -179.8 | 173.6 | 0 | 0 | 112.1 | A140 A146 Q147 L148 | A140-E144 PolarHBondContact O-N 2.85Å; E144-A146 VanDerWaalsContact C-N 3.33Å; E144-A146 PolarHBondContact O-N 3.29Å; E144-Q147 PolarHBondContact O-N 3.27Å; E144-L148 PolarHBondContact O-N 3.28Å |
| 145 | R | 41 | Very low | 39.1 | Very low | 188 Ų | 188 | 116.9 Ų | 116.9 | 71% | 0.709 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.5 | -30.1 | 176.4 | -85.8 | -179.2 | 169.1 | 157.6 | -1.2 | 113.7 | Q141 Q147 | Q141-R145 WeakPolarHBondContact O-CB 3.42Å; Q141-R145 PolarHBondContact O-N 3.24Å; Q141-R145 VanDerWaalsContact O-N 3.15Å; R145-Q147 VanDerWaalsContact C-N 3.33Å |
| 146 | A | 41.9 | Very low | 38.8 | Very low | 74 Ų | 74 | 117 Ų | 117 | 61% | 0.612 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.8 | -24.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S142 A143 E144 | S142-A146 VanDerWaalsContact O-CB 3.27Å; S142-A146 WeakPolarHBondContact O-CB 3.35Å; S142-A146 PolarHBondContact O-N 2.88Å; A143-A146 PolarHBondContact O-N 3.05Å; E144-A146 VanDerWaalsContact C-N 3.33Å; E144-A146 PolarHBondContact O-N 3.29Å |
| 147 | Q | 43.3 | Very low | 39.1 | Very low | 135 Ų | 135 | 119 Ų | 119 | 63% | 0.631 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.1 | -36.7 | 175.1 | -72.7 | 179.4 | -11 | 0 | 0 | 112.5 | A143 E144 R145 N149 G150 | A143-Q147 WeakPolarHBondContact O-CG 3.49Å; A143-Q147 PolarHBondContact O-N 2.83Å; E144-Q147 PolarHBondContact O-N 3.27Å; R145-Q147 VanDerWaalsContact C-N 3.33Å; Q147-N149 VanDerWaalsContact C-N 3.3Å; Q147-N149 PolarHBondContact O-N 3.48Å; Q147-G150 PolarHBondContact O-N 3.1Å |
| 148 | L | 45.5 | Very low | 38.9 | Very low | 130 Ų | 130 | 120.6 Ų | 120.6 | 68% | 0.681 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.6 | -21.3 | -176.9 | -85.3 | 155.2 | 0 | 0 | 0 | 114.8 | E144 | E144-L148 PolarHBondContact O-N 3.28Å |
| 149 | N | 44.8 | Very low | 38.9 | Very low | 150 Ų | 150 | 127 Ų | 127 | 80% | 0.802 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 2.8 | 179.5 | -73.8 | -24.5 | 0 | 0 | 0 | 114.3 | Q147 | Q147-N149 VanDerWaalsContact C-N 3.3Å; Q147-N149 PolarHBondContact O-N 3.48Å |
| 150 | G | 38.8 | Very low | 38.8 | Very low | 59 Ų | 59 | 122.7 Ų | 122.7 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -102 | -5.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q147 | Q147-G150 PolarHBondContact O-N 3.1Š|
| 151 | L | 41.2 | Very low | 38.5 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | trans | -107.4 | 6.9 | -166.5 | -79.4 | 159.8 | 0 | 0 | 0 | 115.6 | R153 | L151-R153 PolarHBondContact O-N 3.44Š| ||
| 152 | N | 41.1 | Very low | 38.5 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | -93.9 | 51.6 | 176.5 | -78 | -27.1 | 0 | 0 | 0 | 113.1 | ||||
| 153 | R | 40.8 | Very low | 38.3 | Very low | 223 Ų | 223 | 131.3 Ų | 131.3 | 84% | 0.842 | 74% | 0.74 | S | S | * | * | trans | -127.1 | 82.6 | 169.3 | -74.1 | -172.5 | 168.9 | -177.5 | -3.5 | 110.3 | L151 S155 | L151-R153 PolarHBondContact O-N 3.44Å; R153-S155 PolarHBondContact O-N 2.99Å | ||
| 154 | S | 33.9 | Very low | 38 | Very low | 118 Ų | 118 | 136 Ų | 136 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | 23.9 | 94.4 | 140.8 | 60.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 155 | S | 39 | Very low | 38 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -129.9 | 98.4 | 147 | 68.3 | 0 | 0 | 0 | 0 | 108 | R153 V157 | R153-S155 PolarHBondContact O-N 2.99Å; S155-V157 VanDerWaalsContact C-N 3.33Å; S155-V157 PolarHBondContact O-N 2.83Å | ||
| 156 | V | 33.6 | Very low | 37.5 | Very low | 139 Ų | 139 | 133 Ų | 133 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -64.2 | 96.6 | 165.3 | 177.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 157 | V | 40.3 | Very low | 37.4 | Very low | 115 Ų | 115 | 141 Ų | 141 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | trans | -134.6 | 97.3 | 164.9 | -176.1 | 0 | 0 | 0 | 0 | 106.9 | S155 Q159 | S155-V157 VanDerWaalsContact C-N 3.33Å; S155-V157 PolarHBondContact O-N 2.83Å; V157-Q159 PolarHBondContact O-N 3.32Å | ||
| 158 | N | 32 | Very low | 37.1 | Very low | 147 Ų | 147 | 140 Ų | 140 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -59.2 | 115.4 | 164.5 | -82 | -35.8 | 0 | 0 | 0 | 108.7 | ||||
| 159 | Q | 38.5 | Very low | 36.5 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -172.2 | 126.3 | 148.4 | -105.6 | 166.7 | 41.1 | 0 | 0 | 111.2 | V157 | V157-Q159 PolarHBondContact O-N 3.32Š| ||
| 160 | G | 34 | Very low | 36.2 | Very low | 80 Ų | 80 | 134.1 Ų | 134.1 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 96.5 | 77 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | A162 | G160-A162 PolarHBondContact O-N 3.48Š| ||
| 161 | K | 30.4 | Very low | 35.8 | Very low | 207 Ų | 207 | 138.5 Ų | 138.5 | 90% | 0.9 | 82% | 0.823 | S | S | * | * | trans | -56 | 129.7 | 158.2 | -90.2 | 176.3 | 172.6 | 176.6 | 0 | 110.8 | ||||
| 162 | A | 38.4 | Very low | 35.9 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -147.9 | 91.6 | 141.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | G160 | G160-A162 PolarHBondContact O-N 3.48Š| ||
| 163 | T | 32.5 | Very low | 35.7 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 72% | 0.724 | 82% | 0.824 | S | S | * | * | trans | -65.3 | 130.7 | 166.9 | 39.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 164 | T | 32.6 | Very low | 35.9 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | 178.6 | 123.3 | 133.9 | 23.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 165 | S | 34.1 | Very low | 36.4 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 147.1 | 87.9 | 132.9 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 166 | V | 31.3 | Very low | 36.4 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -80 | 117.6 | 165.4 | -178.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 167 | R | 39.8 | Very low | 37 | Very low | 242 Ų | 242 | 134.7 Ų | 134.7 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | trans | -124.4 | 108.3 | 162 | -153.8 | 172.5 | -175.5 | 174.4 | 0.8 | 109.2 | ||||
| 168 | S | 36.1 | Very low | 37.5 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -50.4 | 140 | 177.8 | -40.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 169 | G | 34.5 | Very low | 38.4 | Very low | 80 Ų | 80 | 134.3 Ų | 134.3 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | 177.4 | 107.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 170 | G | 36.5 | Very low | 38.9 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | 92.4 | 87 | 148.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | S172 | G170-S172 PolarHBondContact O-N 2.94Š| ||
| 171 | T | 31.9 | Very low | 39.8 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | trans | -51.2 | 117.5 | 153.3 | 43 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 172 | S | 43.2 | Very low | 40.7 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | -134.9 | 110.7 | 160.8 | -170.4 | 0 | 0 | 0 | 0 | 107.8 | G170 T174 | G170-S172 PolarHBondContact O-N 2.94Å; S172-T174 PolarHBondContact O-N 3.04Å | ||
| 173 | E | 36.9 | Very low | 41.6 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -64 | 96.3 | 177 | -62.5 | 173.1 | 155.3 | 0 | 0 | 109 | A175 | E173-A175 PolarHBondContact O-N 3.33Š| ||
| 174 | T | 44.6 | Very low | 42.7 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -86.2 | 98.6 | 164.9 | 51.8 | 0 | 0 | 0 | 0 | 108.5 | S172 S176 | S172-T174 PolarHBondContact O-N 3.04Å; T174-S176 PolarHBondContact O-N 2.84Å | ||
| 175 | A | 43.9 | Very low | 43.8 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | -47.9 | 120 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | E173 H177 | E173-A175 PolarHBondContact O-N 3.33Å; A175-H177 PolarHBondContact O-N 2.9Å | ||
| 176 | S | 38.5 | Very low | 44.6 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -66.6 | 96.2 | 169.6 | -84.4 | 0 | 0 | 0 | 0 | 109.8 | T174 | T174-S176 PolarHBondContact O-N 2.84Š| ||
| 177 | H | 46.3 | Very low | 45.6 | Very low | 177 Ų | 177 | 135.4 Ų | 135.4 | 82% | 0.819 | 77% | 0.767 | S | S | * | * | trans | -87 | 101.4 | 158.9 | -93.2 | -3.5 | 0 | 0 | 0 | 109.3 | A175 N179 | A175-H177 PolarHBondContact O-N 2.9Å; H177-N179 PolarHBondContact O-N 2.97Å | ||
| 178 | S | 51.4 | Low | 46.4 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -73.7 | 96.9 | 163.7 | 49.1 | 0 | 0 | 0 | 0 | 108.9 | T180 | S178-T180 PolarHBondContact O-N 3.46Š| ||
| 179 | N | 50.6 | Low | 47.5 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | -68 | 102.3 | 163.7 | -86.1 | -19.4 | 0 | 0 | 0 | 108 | H177 V181 | H177-N179 PolarHBondContact O-N 2.97Å; N179-V181 PolarHBondContact O-N 3.31Å; N179-V181 VanDerWaalsContact O-N 3.09Å | ||
| 180 | T | 48.9 | Very low | 49.1 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -60.2 | 110 | 165.7 | 25.4 | 0 | 0 | 0 | 0 | 107.9 | S178 K182 | S178-T180 PolarHBondContact O-N 3.46Å; T180-K182 PolarHBondContact O-N 2.84Å | ||
| 181 | V | 52.9 | Low | 51.1 | Low | 114 Ų | 114 | 126 Ų | 126 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | trans | -55.2 | 115 | 172 | 175.8 | 0 | 0 | 0 | 0 | 107.4 | N179 K183 | N179-V181 PolarHBondContact O-N 3.31Å; N179-V181 VanDerWaalsContact O-N 3.09Å; V181-K183 PolarHBondContact O-N 2.9Å | ||
| 182 | K | 48.9 | Very low | 53.5 | Low | 160 Ų | 160 | 126.7 Ų | 126.7 | 70% | 0.696 | 70% | 0.696 | S | S | * | * | trans | -60 | 130.1 | 177.4 | -71 | -177.5 | 177.8 | -179.5 | 0 | 108 | T180 D184 D185 | T180-K182 PolarHBondContact O-N 2.84Å; K182-D184 PolarHBondContact O-N 3.34Å; K182-D185 PolarHBondContact O-N 3.37Å; K182-D185 VanDerWaalsContact O-N 3.1Å | ||
| 183 | K | 57.8 | Low | 55.3 | Low | 184 Ų | 184 | 130.2 Ų | 130.2 | 80% | 0.8 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -14.6 | -178.3 | -72.9 | -177 | 175.8 | 178.8 | 0 | 113.7 | V181 | V181-K183 PolarHBondContact O-N 2.9Š|
| 184 | D | 56.9 | Low | 57.6 | Low | 122 Ų | 122 | 124.8 Ų | 124.8 | 65% | 0.652 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -24.1 | 178 | -69.3 | -41 | 0 | 0 | 0 | 114.3 | K182 Q186 K187 | K182-D184 PolarHBondContact O-N 3.34Å; D184-Q186 PolarHBondContact O-N 3.4Å; D184-K187 PolarHBondContact O-N 3.5Å |
| 185 | D | 54 | Low | 59.6 | Low | 102 Ų | 102 | 120.8 Ų | 120.8 | 55% | 0.545 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -71 | -20.8 | 177.8 | -71 | -33.1 | 0 | 0 | 0 | 112.4 | K182 K187 V189 | K182-D185 PolarHBondContact O-N 3.37Å; K182-D185 VanDerWaalsContact O-N 3.1Å; D185-K187 VanDerWaalsContact C-N 3.33Å; D185-K187 PolarHBondContact O-N 2.72Å; D185-V189 WeakPolarHBondContact O-CG2 3.49Å |
| 186 | Q | 51 | Low | 61.8 | Low | 144 Ų | 144 | 121.5 Ų | 121.5 | 67% | 0.673 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.2 | -26.4 | 175.4 | -80.4 | -175.7 | -12.7 | 0 | 0 | 113.2 | D184 | D184-Q186 PolarHBondContact O-N 3.4Å |
| 187 | K | 53.4 | Low | 64.3 | Low | 165 Ų | 165 | 118.6 Ų | 118.6 | 72% | 0.717 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.6 | -35.7 | 178.5 | -79.1 | -177.1 | 176.9 | 176.6 | 0 | 112.2 | D184 D185 N190 P191 | D184-K187 PolarHBondContact O-N 3.5Å; D185-K187 VanDerWaalsContact C-N 3.33Å; D185-K187 PolarHBondContact O-N 2.72Å; K187-N190 WeakPolarHBondContact O-CB 3.32Å; K187-N190 PolarHBondContact O-N 3.28Å; K187-P191 WeakPolarHBondContact O-CD 3.44Å |
| 188 | A | 55.7 | Low | 66.4 | Low | 71 Ų | 71 | 115.4 Ų | 115.4 | 59% | 0.587 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.1 | -21 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | N190 P191 | A188-N190 VanDerWaalsContact C-N 3.28Å; A188-P191 VanDerWaalsContact O-CD 3.29Å; A188-P191 WeakPolarHBondContact O-CD 3.48Å; A188-P191 WeakPolarHBondContact O-CG 3.42Å |
| 189 | V | 59.4 | Low | 68.4 | Low | 74 Ų | 74 | 116 Ų | 116 | 45% | 0.448 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -76.4 | -18.1 | 175.4 | 175.4 | 0 | 0 | 0 | 0 | 112 | D185 R193 | D185-V189 WeakPolarHBondContact O-CG2 3.49Å; V189-R193 HydrophobicContact CG1-CG 4.29Å; V189-R193 WeakPolarHBondContact O-CG 3.41Å; V189-R193 PolarHBondContact O-N 3.37Å |
| 190 | N | 68.9 | Low | 70.5 | Confident | 91 Ų | 91 | 114.1 Ų | 114.1 | 49% | 0.487 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.6 | -45.5 | -176 | -140.3 | -9.6 | 0 | 0 | 0 | 114.9 | K187 A188 K192 R193 I194 | K187-N190 WeakPolarHBondContact O-CB 3.32Å; K187-N190 PolarHBondContact O-N 3.28Å; A188-N190 VanDerWaalsContact C-N 3.28Å; N190-K192 PolarHBondContact O-N 3.11Å; N190-R193 PolarHBondContact O-N 3.24Å; N190-I194 HydrophobicContact CB-CD1 4.4Å; N190-I194 WeakPolarHBondContact O-CB 3.43Å; N190-I194 WeakPolarHBondContact O-CD1 3.36Å; N190-I194 WeakPolarHBondContact O-CG1 3.27Å; N190-I194 PolarHBondContact O-N 2.94Å |
| 191 | P | 78.1 | Confident | 72.6 | Confident | 78 Ų | 78 | 112.4 Ų | 112.4 | 51% | 0.506 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.5 | -41.1 | -176.2 | 21.7 | -34.6 | 0 | 0 | 0 | 113.6 | K187 A188 I194 A195 | K187-P191 WeakPolarHBondContact O-CD 3.44Å; A188-P191 VanDerWaalsContact O-CD 3.29Å; A188-P191 WeakPolarHBondContact O-CD 3.48Å; A188-P191 WeakPolarHBondContact O-CG 3.42Å; P191-I194 PolarHBondContact O-N 3.15Å; P191-A195 WeakPolarHBondContact O-CB 3.45Å; P191-A195 PolarHBondContact O-N 3.37Å |
| 192 | K | 81.5 | Confident | 74.5 | Confident | 166 Ų | 166 | 113.2 Ų | 113.2 | 72% | 0.722 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.5 | -38 | 178 | -71 | -174.6 | 178.9 | -179.7 | 0 | 112.1 | N190 A195 L196 | N190-K192 PolarHBondContact O-N 3.11Å; K192-A195 PolarHBondContact O-N 3.13Å; K192-L196 WeakPolarHBondContact O-CB 3.49Å; K192-L196 WeakPolarHBondContact O-CG 3.46Å; K192-L196 PolarHBondContact O-N 2.85Å |
| 193 | R | 81.4 | Confident | 76.7 | Confident | 176 Ų | 176 | 110.7 Ų | 110.7 | 66% | 0.664 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.1 | -41.2 | 175.4 | -75.7 | -174.2 | 175.8 | -163.5 | -0.7 | 111.8 | V189 N190 L196 A197 | V189-R193 HydrophobicContact CG1-CG 4.29Å; V189-R193 WeakPolarHBondContact O-CG 3.41Å; V189-R193 PolarHBondContact O-N 3.37Å; N190-R193 PolarHBondContact O-N 3.24Å; R193-L196 PolarHBondContact O-N 3.43Å; R193-A197 WeakPolarHBondContact O-CB 3.45Å; R193-A197 PolarHBondContact O-N 3.03Å |
| 194 | I | 84.7 | Confident | 78.5 | Confident | 81 Ų | 81 | 107.4 Ų | 107.4 | 42% | 0.415 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.8 | -46 | 175.3 | -67.2 | 164.2 | 0 | 0 | 0 | 110.3 | N190 P191 L196 A197 Q198 | N190-I194 HydrophobicContact CB-CD1 4.4Å; N190-I194 WeakPolarHBondContact O-CB 3.43Å; N190-I194 WeakPolarHBondContact O-CD1 3.36Å; N190-I194 WeakPolarHBondContact O-CG1 3.27Å; N190-I194 PolarHBondContact O-N 2.94Å; P191-I194 PolarHBondContact O-N 3.15Å; I194-L196 PolarHBondContact O-N 3.2Å; I194-A197 PolarHBondContact O-N 3.23Å; I194-Q198 WeakPolarHBondContact O-CG 3.42Å; I194-Q198 PolarHBondContact O-N 2.91Å |
| 195 | A | 87 | Confident | 80.2 | Confident | 44 Ų | 44 | 105.4 Ų | 105.4 | 36% | 0.364 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P191 K192 Q198 Q199 | P191-A195 WeakPolarHBondContact O-CB 3.45Å; P191-A195 PolarHBondContact O-N 3.37Å; K192-A195 PolarHBondContact O-N 3.13Å; A195-Q198 PolarHBondContact O-N 3.41Å; A195-Q199 WeakPolarHBondContact O-CG 3.4Å; A195-Q199 PolarHBondContact O-N 3.35Å |
| 196 | L | 90.8 | Very high | 82.2 | Confident | 102 Ų | 102 | 106.6 Ų | 106.6 | 53% | 0.534 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 174.7 | -76.3 | 167.8 | 0 | 0 | 0 | 112 | K192 R193 I194 Q198 Q199 L200 | K192-L196 WeakPolarHBondContact O-CB 3.49Å; K192-L196 WeakPolarHBondContact O-CG 3.46Å; K192-L196 PolarHBondContact O-N 2.85Å; R193-L196 PolarHBondContact O-N 3.43Å; I194-L196 PolarHBondContact O-N 3.2Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.26Å; L196-Q199 PolarHBondContact O-N 2.89Å; L196-L200 WeakPolarHBondContact O-CG 3.42Å; L196-L200 PolarHBondContact O-N 3.42Å |
| 197 | A | 90.2 | Very high | 84.2 | Confident | 58 Ų | 58 | 103.4 Ų | 103.4 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.9 | -38.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | R193 I194 L200 N201 | R193-A197 WeakPolarHBondContact O-CB 3.45Å; R193-A197 PolarHBondContact O-N 3.03Å; I194-A197 PolarHBondContact O-N 3.23Å; A197-L200 PolarHBondContact O-N 3.38Å; A197-N201 WeakPolarHBondContact O-CB 3.41Å; A197-N201 PolarHBondContact O-N 2.62Å |
| 198 | Q | 91.5 | Very high | 86.1 | Confident | 111 Ų | 111 | 99.2 Ų | 99.2 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 173.3 | -74.4 | 173.3 | -19.1 | 0 | 0 | 111.5 | I194 A195 L196 L200 N201 E202 | I194-Q198 WeakPolarHBondContact O-CG 3.42Å; I194-Q198 PolarHBondContact O-N 2.91Å; A195-Q198 PolarHBondContact O-N 3.41Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.26Å; Q198-L200 VanDerWaalsContact C-N 3.34Å; Q198-L200 PolarHBondContact O-N 3.19Å; Q198-N201 PolarHBondContact O-N 2.88Å; Q198-E202 WeakPolarHBondContact O-CG 3.4Å; Q198-E202 PolarHBondContact O-N 3.46Å |
| 199 | Q | 92.5 | Very high | 87.9 | Confident | 120 Ų | 120 | 102.8 Ų | 102.8 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.6 | -40.8 | 176.9 | -74.5 | -178.9 | -33.3 | 0 | 0 | 112.7 | A195 L196 E202 M203 | A195-Q199 WeakPolarHBondContact O-CG 3.4Å; A195-Q199 PolarHBondContact O-N 3.35Å; L196-Q199 PolarHBondContact O-N 2.89Å; Q199-E202 PolarHBondContact O-N 3.39Å; Q199-M203 WeakPolarHBondContact O-CB 3.29Å; Q199-M203 PolarHBondContact O-N 3.19Å |
| 200 | L | 94.2 | Very high | 89.5 | Confident | 108 Ų | 108 | 103.6 Ų | 103.6 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | 176 | -71.4 | 175.1 | 0 | 0 | 0 | 111.7 | L196 A197 Q198 M203 E204 | L196-L200 WeakPolarHBondContact O-CG 3.42Å; L196-L200 PolarHBondContact O-N 3.42Å; A197-L200 PolarHBondContact O-N 3.38Å; Q198-L200 VanDerWaalsContact C-N 3.34Å; Q198-L200 PolarHBondContact O-N 3.19Å; L200-M203 HydrophobicContact CD2-CE 3.87Å; L200-M203 PolarHBondContact O-N 2.74Å; L200-E204 PolarHBondContact O-N 3.25Å |
| 201 | N | 93.3 | Very high | 90.5 | Very high | 90 Ų | 90 | 105.4 Ų | 105.4 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 176.4 | -171.1 | 35.2 | 0 | 0 | 0 | 112.1 | A197 Q198 E204 N205 | A197-N201 WeakPolarHBondContact O-CB 3.41Å; A197-N201 PolarHBondContact O-N 2.62Å; Q198-N201 PolarHBondContact O-N 2.88Å; N201-E204 PolarHBondContact O-N 3.31Å; N201-N205 WeakPolarHBondContact O-CB 3.46Å; N201-N205 PolarHBondContact O-N 3.43Å; N201-N205 PolarHBondContact O-ND2 3.48Å |
| 202 | E | 93.9 | Very high | 91.1 | Very high | 130 Ų | 130 | 104.6 Ų | 104.6 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -41.9 | 173.2 | -74.4 | 172.6 | -170 | 0 | 0 | 111.9 | Q198 Q199 N205 F206 | Q198-E202 WeakPolarHBondContact O-CG 3.4Å; Q198-E202 PolarHBondContact O-N 3.46Å; Q199-E202 PolarHBondContact O-N 3.39Å; E202-N205 PolarHBondContact O-N 3.47Å; E202-F206 PolarHBondContact O-N 3.38Å |
| 203 | M | 94.5 | Very high | 91.5 | Very high | 107 Ų | 107 | 103.7 Ų | 103.7 | 53% | 0.527 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -40.7 | 177.7 | -170.9 | 172.8 | 64.3 | 0 | 0 | 112 | Q199 L200 F206 I207 | Q199-M203 WeakPolarHBondContact O-CB 3.29Å; Q199-M203 PolarHBondContact O-N 3.19Å; L200-M203 HydrophobicContact CD2-CE 3.87Å; L200-M203 PolarHBondContact O-N 2.74Å; M203-F206 PolarHBondContact O-N 3.2Å; M203-I207 HydrophobicContact CG-CD1 4.27Å; M203-I207 WeakPolarHBondContact O-CG1 3.33Å; M203-I207 PolarHBondContact O-N 3.41Å |
| 204 | E | 94.9 | Very high | 91.6 | Very high | 115 Ų | 115 | 98.7 Ų | 98.7 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 174.9 | -174.5 | 169.8 | -163.8 | 0 | 0 | 111.7 | L200 N201 F206 I207 N208 | L200-E204 PolarHBondContact O-N 3.25Å; N201-E204 PolarHBondContact O-N 3.31Å; E204-F206 VanDerWaalsContact C-N 3.32Å; E204-F206 PolarHBondContact O-N 3.15Å; E204-I207 PolarHBondContact O-N 3.47Å; E204-N208 PolarHBondContact O-N 3.48Å; E204-N208 PolarHBondContact O-ND2 3.49Å |
| 205 | N | 94.1 | Very high | 91.3 | Very high | 80 Ų | 80 | 99 Ų | 99 | 43% | 0.428 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 175.1 | -76.4 | -48.4 | 0 | 0 | 0 | 112.7 | N201 E202 N208 K209 | N201-N205 WeakPolarHBondContact O-CB 3.46Å; N201-N205 PolarHBondContact O-N 3.43Å; N201-N205 PolarHBondContact O-ND2 3.48Å; E202-N205 PolarHBondContact O-N 3.47Å; N205-N208 PolarHBondContact O-N 2.93Å; N205-K209 WeakPolarHBondContact O-CG 3.31Å; N205-K209 PolarHBondContact O-N 3.21Å |
| 206 | F | 94.6 | Very high | 90.7 | Very high | 127 Ų | 127 | 100.8 Ų | 100.8 | 56% | 0.557 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.8 | -44.5 | 175.3 | -178.1 | -103.7 | 0 | 0 | 0 | 111.8 | E202 M203 E204 N208 K209 L210 | E202-F206 PolarHBondContact O-N 3.38Å; M203-F206 PolarHBondContact O-N 3.2Å; E204-F206 VanDerWaalsContact C-N 3.32Å; E204-F206 PolarHBondContact O-N 3.15Å; F206-N208 VanDerWaalsContact C-N 3.33Å; F206-N208 PolarHBondContact O-N 3.34Å; F206-K209 PolarHBondContact O-N 3.09Å; F206-L210 HydrophobicContact CD1-CD1 3.87Å; F206-L210 HydrophobicContact CD1-CG 4.37Å; F206-L210 HydrophobicContact CE1-CD1 3.37Å; F206-L210 HydrophobicContact CE1-CG 4.02Å; F206-L210 HydrophobicContact CZ-CD1 3.91Å; F206-L210 HydrophobicContact CZ-CD2 4.34Å; F206-L210 HydrophobicContact CZ-CG 4.17Å; F206-L210 PolarHBondContact O-N 3.25Å |
| 207 | I | 93.2 | Very high | 89.2 | Confident | 77 Ų | 77 | 103 Ų | 103 | 40% | 0.395 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 175.8 | -68.4 | 165.2 | 0 | 0 | 0 | 110.8 | M203 E204 K209 L210 K211 | M203-I207 HydrophobicContact CG-CD1 4.27Å; M203-I207 WeakPolarHBondContact O-CG1 3.33Å; M203-I207 PolarHBondContact O-N 3.41Å; E204-I207 PolarHBondContact O-N 3.47Å; I207-K209 PolarHBondContact O-N 3.29Å; I207-L210 PolarHBondContact O-N 2.99Å; I207-K211 HydrophobicContact CG2-CD 4.3Å; I207-K211 HydrophobicContact CG2-CG 4.5Å; I207-K211 WeakPolarHBondContact O-CG 3.49Å; I207-K211 PolarHBondContact O-N 3.09Å |
| 208 | N | 93.2 | Very high | 87.3 | Confident | 78 Ų | 78 | 108.7 Ų | 108.7 | 42% | 0.417 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.8 | -39.1 | 177.4 | -72 | -22.6 | 0 | 0 | 0 | 112.3 | E204 N205 F206 K211 A212 | E204-N208 PolarHBondContact O-N 3.48Å; E204-N208 PolarHBondContact O-ND2 3.49Å; N205-N208 PolarHBondContact O-N 2.93Å; F206-N208 VanDerWaalsContact C-N 3.33Å; F206-N208 PolarHBondContact O-N 3.34Å; N208-K211 PolarHBondContact O-N 3.21Å; N208-A212 WeakPolarHBondContact O-CB 3.2Å; N208-A212 PolarHBondContact O-N 3.23Å |
| 209 | K | 93.5 | Very high | 87.1 | Confident | 146 Ų | 146 | 108.6 Ų | 108.6 | 64% | 0.635 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64 | -40.4 | 172.8 | -74.1 | 176.1 | -178.7 | 177.8 | 0 | 112.4 | N205 F206 I207 A212 K213 | N205-K209 WeakPolarHBondContact O-CG 3.31Å; N205-K209 PolarHBondContact O-N 3.21Å; F206-K209 PolarHBondContact O-N 3.09Å; I207-K209 PolarHBondContact O-N 3.29Å; K209-A212 PolarHBondContact O-N 2.91Å; K209-K213 WeakPolarHBondContact O-CG 3.31Å; K209-K213 PolarHBondContact O-N 3.03Å |
| 210 | L | 92.5 | Very high | 86.8 | Confident | 90 Ų | 90 | 108 Ų | 108 | 47% | 0.471 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.5 | -43.3 | 175.5 | -74.3 | 178.8 | 0 | 0 | 0 | 111.6 | F206 I207 K213 A214 | F206-L210 HydrophobicContact CD1-CD1 3.87Å; F206-L210 HydrophobicContact CD1-CG 4.37Å; F206-L210 HydrophobicContact CE1-CD1 3.37Å; F206-L210 HydrophobicContact CE1-CG 4.02Å; F206-L210 HydrophobicContact CZ-CD1 3.91Å; F206-L210 HydrophobicContact CZ-CD2 4.34Å; F206-L210 HydrophobicContact CZ-CG 4.17Å; F206-L210 PolarHBondContact O-N 3.25Å; I207-L210 PolarHBondContact O-N 2.99Å; L210-K213 PolarHBondContact O-N 3.25Å; L210-A214 WeakPolarHBondContact O-CB 3.48Å; L210-A214 PolarHBondContact O-N 3.29Å |
| 211 | K | 91.7 | Very high | 86.4 | Confident | 129 Ų | 129 | 108 Ų | 108 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.6 | -46.8 | 175 | -74.3 | 179.2 | 177.9 | 179.1 | 0 | 111.6 | I207 N208 K213 A214 S215 | I207-K211 HydrophobicContact CG2-CD 4.3Å; I207-K211 HydrophobicContact CG2-CG 4.5Å; I207-K211 WeakPolarHBondContact O-CG 3.49Å; I207-K211 PolarHBondContact O-N 3.09Å; N208-K211 PolarHBondContact O-N 3.21Å; K211-K213 VanDerWaalsContact C-N 3.34Å; K211-K213 PolarHBondContact O-N 3.46Å; K211-A214 PolarHBondContact O-N 3.26Å; K211-S215 PolarHBondContact O-N 3.17Å; K211-S215 PolarHBondContact O-OG 3.25Å |
| 212 | A | 89.4 | Confident | 86 | Confident | 61 Ų | 61 | 109.1 Ų | 109.1 | 50% | 0.504 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60 | -42.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N208 K209 S215 S216 | N208-A212 WeakPolarHBondContact O-CB 3.2Å; N208-A212 PolarHBondContact O-N 3.23Å; K209-A212 PolarHBondContact O-N 2.91Å; A212-S215 PolarHBondContact O-N 3.5Å; A212-S216 WeakPolarHBondContact O-CB 3.05Å; A212-S216 PolarHBondContact O-N 3.43Å; A212-S216 PolarHBondContact O-OG 3.44Å |
| 213 | K | 89.3 | Confident | 85.5 | Confident | 147 Ų | 147 | 107.8 Ų | 107.8 | 64% | 0.639 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.5 | -37.1 | 174.9 | -76.3 | -175.7 | 177.5 | -173.2 | 0 | 113.2 | K209 L210 K211 S215 S216 | K209-K213 WeakPolarHBondContact O-CG 3.31Å; K209-K213 PolarHBondContact O-N 3.03Å; L210-K213 PolarHBondContact O-N 3.25Å; K211-K213 VanDerWaalsContact C-N 3.34Å; K211-K213 PolarHBondContact O-N 3.46Å; K213-S215 VanDerWaalsContact C-N 3.33Å; K213-S216 PolarHBondContact O-N 3.16Å; K213-S216 PolarHBondContact O-OG 2.81Å |
| 214 | A | 84.1 | Confident | 84.9 | Confident | 71 Ų | 71 | 107.8 Ų | 107.8 | 59% | 0.587 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67 | -37.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L210 K211 | L210-A214 WeakPolarHBondContact O-CB 3.48Å; L210-A214 PolarHBondContact O-N 3.29Å; K211-A214 PolarHBondContact O-N 3.26Å |
| 215 | S | 79.2 | Confident | 84.1 | Confident | 89 Ų | 89 | 107.3 Ų | 107.3 | 62% | 0.622 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -76 | -20.1 | 176.6 | -60.9 | 0 | 0 | 0 | 0 | 114.3 | K211 A212 K213 T218 | K211-S215 PolarHBondContact O-N 3.17Å; K211-S215 PolarHBondContact O-OG 3.25Å; A212-S215 PolarHBondContact O-N 3.5Å; K213-S215 VanDerWaalsContact C-N 3.33Å; S215-T218 PolarHBondContact O-OG1 3.18Å |
| 216 | S | 74.4 | Confident | 83.4 | Confident | 81 Ų | 81 | 109.4 Ų | 109.4 | 57% | 0.566 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -6.5 | 178.8 | 72.3 | 0 | 0 | 0 | 0 | 114.3 | A212 K213 | A212-S216 WeakPolarHBondContact O-CB 3.05Å; A212-S216 PolarHBondContact O-N 3.43Å; A212-S216 PolarHBondContact O-OG 3.44Å; K213-S216 PolarHBondContact O-N 3.16Å; K213-S216 PolarHBondContact O-OG 2.81Å |
| 217 | N | 59.1 | Low | 82.4 | Confident | 149 Ų | 149 | 107.9 Ų | 107.9 | 80% | 0.797 | 61% | 0.607 | S | S | * | * | trans | -102 | 13.7 | -179.7 | -93.1 | 14.4 | 0 | 0 | 0 | 113.3 | ||||
| 218 | T | 49.6 | Very low | 81.5 | Confident | 177 Ų | 177 | 110.7 Ų | 110.7 | 100% | 1.086 | 63% | 0.626 | S | S | * | * | trans | -104.2 | 0 | 158.9 | 44.8 | 0 | 0 | 0 | 0 | 109 | S215 | S215-T218 PolarHBondContact O-OG1 3.18Š|
Retrieved 218 of 218 residues in 66.6 ms
(Link to these results)